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 1eeh_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADYQGKNVVI IGLGLTGLSC VDFFLARGVT PRVMDTRMTP PGLDKLPEAV DATA SEQUENCE ERHTGSLNDE WLMAADLIVA SPGIALAHPS LSAAADAGIE IVGDIELFCR DATA SEQUENCE EAQAPIVAIT GSNGKSTVTT LVGEMAKAAG VNVGVGGNIG LPALMLLDDE DATA SEQUENCE CELYVLELSS FQLETTSSLQ AVAATILNVT EDHMDRYPFG LQQYRAAKLR DATA SEQUENCE IYENAKVCVV NADDALTMPI RGADERCVSF GVNMGDYHLX XXXXXTWLRV DATA SEQUENCE KGEKVLNVKE MKLSGQHNYT NALAALALAD AAGLPRASSL KALTTFTGLP DATA SEQUENCE HRFEVVLEHN GVRWINDSKA TNVGSTEAAL NGLHVDGTLH LLLGGDGKSA DATA SEQUENCE DFSPLARYLN GDNVRLYCFG RDGAQLAALR PEVAEQTETM EQAMRLLAPR DATA SEQUENCE VQPGDMVLLS PACASLDQFK NFEQRGNEFA RLAKELG 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.312 177.584 -0.453 0.000 1.274 1 A CA 0.000 51.878 52.037 -0.265 0.000 0.836 1 A CB 0.000 18.812 19.000 -0.313 0.000 0.831 2 D N -0.515 119.604 120.400 -0.468 0.000 2.193 2 D HA 0.680 5.320 4.640 -0.001 0.000 0.244 2 D C -0.442 175.559 176.300 -0.498 0.000 1.064 2 D CA 0.137 53.918 54.000 -0.366 0.000 0.845 2 D CB 0.633 41.333 40.800 -0.167 0.000 1.148 2 D HN 0.382 nan 8.370 nan 0.000 0.464 3 Y N 0.851 121.206 120.300 0.091 0.000 2.527 3 Y HA 0.187 4.736 4.550 -0.001 0.000 0.247 3 Y C 0.482 176.428 175.900 0.078 0.000 1.138 3 Y CA -0.464 57.718 58.100 0.135 0.000 1.228 3 Y CB 0.167 38.808 38.460 0.303 0.000 1.252 3 Y HN 0.279 nan 8.280 nan 0.000 0.531 4 Q N 0.975 120.852 119.800 0.128 0.000 2.269 4 Q HA 0.138 4.477 4.340 -0.001 0.000 0.300 4 Q C 1.356 177.388 176.000 0.053 0.000 1.070 4 Q CA 1.389 57.237 55.803 0.076 0.000 0.957 4 Q CB 0.425 29.181 28.738 0.030 0.000 1.131 4 Q HN 0.723 nan 8.270 nan 0.000 0.377 5 G N 2.300 111.123 108.800 0.039 0.000 2.168 5 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.263 5 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.263 5 G C 0.003 174.911 174.900 0.013 0.000 0.977 5 G CA 0.219 45.328 45.100 0.016 0.000 0.659 5 G HN 0.407 nan 8.290 nan 0.000 0.533 6 K N 0.234 120.654 120.400 0.034 0.000 2.118 6 K HA 0.282 4.601 4.320 -0.001 0.000 0.267 6 K C 0.024 176.601 176.600 -0.038 0.000 0.991 6 K CA -0.878 55.421 56.287 0.021 0.000 0.916 6 K CB 1.056 33.608 32.500 0.085 0.000 1.041 6 K HN 0.299 nan 8.250 nan 0.000 0.455 7 N N 1.399 120.064 118.700 -0.058 0.000 2.439 7 N HA 0.118 4.857 4.740 -0.001 0.000 0.243 7 N C -1.064 174.361 175.510 -0.143 0.000 1.088 7 N CA -0.325 52.660 53.050 -0.108 0.000 0.940 7 N CB 0.458 38.890 38.487 -0.092 0.000 1.180 7 N HN 0.121 nan 8.380 nan 0.000 0.505 8 V N 3.654 123.431 119.914 -0.229 0.000 2.427 8 V HA 0.394 4.513 4.120 -0.001 0.000 0.286 8 V C -0.010 175.907 176.094 -0.296 0.000 1.034 8 V CA -0.707 61.391 62.300 -0.337 0.000 0.893 8 V CB 1.546 32.936 31.823 -0.721 0.000 0.982 8 V HN 0.270 nan 8.190 nan 0.000 0.452 9 V N 6.107 125.895 119.914 -0.210 0.000 2.487 9 V HA 0.533 4.653 4.120 -0.001 0.000 0.298 9 V C -0.335 175.709 176.094 -0.082 0.000 1.028 9 V CA -0.432 61.799 62.300 -0.115 0.000 0.860 9 V CB 1.894 33.704 31.823 -0.023 0.000 0.991 9 V HN 0.683 nan 8.190 nan 0.000 0.427 10 I N 5.313 125.860 120.570 -0.039 0.000 2.404 10 I HA 0.503 4.672 4.170 -0.001 0.000 0.293 10 I C -0.574 175.560 176.117 0.028 0.000 0.992 10 I CA -0.430 60.870 61.300 -0.000 0.000 1.149 10 I CB 1.868 39.886 38.000 0.030 0.000 1.315 10 I HN 0.431 nan 8.210 nan 0.000 0.446 11 I N 5.370 125.947 120.570 0.011 0.000 2.339 11 I HA 0.623 4.792 4.170 -0.001 0.000 0.290 11 I C 0.270 176.382 176.117 -0.008 0.000 0.994 11 I CA -0.343 60.955 61.300 -0.003 0.000 1.191 11 I CB 1.470 39.444 38.000 -0.043 0.000 1.343 11 I HN 0.803 nan 8.210 nan 0.000 0.458 12 G N 5.914 114.713 108.800 -0.001 0.000 3.363 12 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.685 12 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.685 12 G C -0.836 174.073 174.900 0.014 0.000 1.199 12 G CA -0.948 44.149 45.100 -0.005 0.000 0.946 12 G HN 0.570 nan 8.290 nan 0.000 0.558 13 L N 2.745 123.975 121.223 0.012 0.000 3.108 13 L HA 0.462 4.802 4.340 -0.001 0.000 0.251 13 L C 1.509 178.389 176.870 0.017 0.000 1.315 13 L CA 0.260 55.111 54.840 0.019 0.000 1.048 13 L CB 0.129 42.196 42.059 0.013 0.000 1.432 13 L HN 0.782 nan 8.230 nan 0.000 0.543 14 G N -0.599 108.213 108.800 0.021 0.000 2.695 14 G HA2 0.312 4.271 3.960 -0.001 0.000 0.213 14 G HA3 0.312 4.271 3.960 -0.001 0.000 0.213 14 G C 0.951 175.878 174.900 0.045 0.000 1.406 14 G CA -0.552 44.565 45.100 0.027 0.000 1.049 14 G HN 0.077 nan 8.290 nan 0.000 0.573 15 L N -0.438 120.814 121.223 0.049 0.000 2.012 15 L HA -0.114 4.225 4.340 -0.001 0.000 0.210 15 L C 3.126 180.025 176.870 0.049 0.000 1.073 15 L CA 1.790 56.666 54.840 0.060 0.000 0.748 15 L CB -1.121 40.965 42.059 0.046 0.000 0.891 15 L HN 0.447 nan 8.230 nan 0.000 0.431 16 T N 0.064 114.634 114.554 0.028 0.000 2.708 16 T HA -0.112 4.237 4.350 -0.001 0.000 0.266 16 T C 1.911 176.629 174.700 0.030 0.000 1.037 16 T CA 1.406 63.515 62.100 0.015 0.000 1.146 16 T CB -0.622 68.247 68.868 0.002 0.000 0.865 16 T HN 0.565 nan 8.240 nan 0.000 0.435 17 G N 1.313 110.136 108.800 0.037 0.000 2.440 17 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.218 17 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.218 17 G C 1.525 176.471 174.900 0.078 0.000 1.154 17 G CA 0.489 45.620 45.100 0.052 0.000 0.767 17 G HN 0.425 nan 8.290 nan 0.000 0.552 18 L N 1.377 122.649 121.223 0.081 0.000 2.046 18 L HA -0.126 4.214 4.340 -0.001 0.000 0.208 18 L C 3.379 180.323 176.870 0.124 0.000 1.077 18 L CA 1.576 56.481 54.840 0.109 0.000 0.747 18 L CB -0.430 41.712 42.059 0.137 0.000 0.896 18 L HN 0.475 nan 8.230 nan 0.000 0.432 19 S N -1.257 114.503 115.700 0.099 0.000 2.382 19 S HA -0.209 4.260 4.470 -0.001 0.000 0.228 19 S C 2.078 176.738 174.600 0.099 0.000 1.027 19 S CA 1.269 59.522 58.200 0.088 0.000 0.991 19 S CB -0.980 62.245 63.200 0.042 0.000 0.823 19 S HN 0.443 nan 8.310 nan 0.000 0.469 20 C N 1.096 120.451 119.300 0.090 0.000 2.446 20 C HA 0.080 4.539 4.460 -0.001 0.000 0.277 20 C C 2.808 177.983 174.990 0.308 0.000 1.275 20 C CA 0.535 59.633 59.018 0.135 0.000 1.727 20 C CB -1.418 26.416 27.740 0.157 0.000 2.010 20 C HN 0.534 nan 8.230 nan 0.000 0.486 21 V N 1.633 121.695 119.914 0.245 0.000 2.282 21 V HA -0.248 3.872 4.120 -0.001 0.000 0.249 21 V C 2.105 178.330 176.094 0.219 0.000 1.057 21 V CA 2.391 64.834 62.300 0.238 0.000 1.032 21 V CB -0.708 31.201 31.823 0.143 0.000 0.645 21 V HN 0.507 nan 8.190 nan 0.000 0.447 22 D N -0.771 119.733 120.400 0.173 0.000 2.144 22 D HA -0.160 4.480 4.640 -0.001 0.000 0.200 22 D C 1.867 178.232 176.300 0.108 0.000 0.978 22 D CA 1.173 55.253 54.000 0.133 0.000 0.833 22 D CB -0.344 40.532 40.800 0.128 0.000 0.961 22 D HN 0.485 nan 8.370 nan 0.000 0.470 23 F N 0.767 120.679 119.950 -0.064 0.000 2.095 23 F HA -0.230 4.296 4.527 -0.001 0.000 0.298 23 F C 1.975 177.616 175.800 -0.265 0.000 1.104 23 F CA 1.368 59.242 58.000 -0.211 0.000 1.232 23 F CB -0.342 38.433 39.000 -0.376 0.000 0.987 23 F HN -0.190 nan 8.300 nan 0.000 0.475 24 F N 0.503 120.493 119.950 0.066 0.000 2.113 24 F HA -0.135 4.391 4.527 -0.001 0.000 0.297 24 F C 2.271 178.019 175.800 -0.087 0.000 1.103 24 F CA 1.381 59.343 58.000 -0.063 0.000 1.248 24 F CB -1.071 37.939 39.000 0.017 0.000 0.999 24 F HN -0.072 nan 8.300 nan 0.000 0.475 25 L N -0.466 120.837 121.223 0.133 0.000 2.079 25 L HA -0.219 4.121 4.340 -0.001 0.000 0.210 25 L C 2.471 179.339 176.870 -0.003 0.000 1.081 25 L CA 1.198 56.075 54.840 0.062 0.000 0.752 25 L CB -1.022 41.076 42.059 0.065 0.000 0.896 25 L HN 0.132 nan 8.230 nan 0.000 0.433 26 A N -0.333 122.453 122.820 -0.056 0.000 2.239 26 A HA -0.066 4.254 4.320 -0.001 0.000 0.209 26 A C 1.926 179.429 177.584 -0.136 0.000 1.171 26 A CA 0.795 52.776 52.037 -0.093 0.000 0.768 26 A CB -0.356 18.577 19.000 -0.112 0.000 0.790 26 A HN 0.391 nan 8.150 nan 0.000 0.478 27 R N -1.683 118.733 120.500 -0.140 0.000 2.596 27 R HA 0.287 4.627 4.340 -0.001 0.000 0.369 27 R C 0.937 177.225 176.300 -0.021 0.000 1.042 27 R CA 0.415 56.446 56.100 -0.115 0.000 1.120 27 R CB 0.377 30.562 30.300 -0.193 0.000 1.353 27 R HN 0.536 nan 8.270 nan 0.000 0.564 28 G N 0.984 109.780 108.800 -0.007 0.000 2.160 28 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.251 28 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.251 28 G C -0.102 174.819 174.900 0.036 0.000 1.008 28 G CA 0.166 45.273 45.100 0.012 0.000 0.724 28 G HN 0.154 nan 8.290 nan 0.000 0.514 29 V N 0.807 120.764 119.914 0.072 0.000 2.409 29 V HA 0.593 4.712 4.120 -0.001 0.000 0.291 29 V C 0.380 176.509 176.094 0.057 0.000 1.020 29 V CA -0.258 62.091 62.300 0.081 0.000 0.848 29 V CB 1.955 33.886 31.823 0.179 0.000 0.990 29 V HN 0.268 nan 8.190 nan 0.000 0.430 30 T N 7.885 122.435 114.554 -0.007 0.000 2.762 30 T HA 0.395 4.744 4.350 -0.001 0.000 0.303 30 T C -2.110 172.529 174.700 -0.101 0.000 0.977 30 T CA -0.707 61.374 62.100 -0.032 0.000 0.961 30 T CB 1.108 69.951 68.868 -0.042 0.000 0.944 30 T HN 0.550 nan 8.240 nan 0.000 0.481 31 P HA 0.435 nan 4.420 nan 0.000 0.279 31 P C -0.515 176.674 177.300 -0.186 0.000 1.276 31 P CA -0.904 62.069 63.100 -0.212 0.000 0.801 31 P CB 1.396 32.948 31.700 -0.246 0.000 1.127 32 R N -0.299 120.058 120.500 -0.238 0.000 2.604 32 R HA 0.605 4.944 4.340 -0.001 0.000 0.287 32 R C -0.471 175.795 176.300 -0.056 0.000 0.970 32 R CA -0.943 54.990 56.100 -0.278 0.000 0.946 32 R CB 1.897 31.788 30.300 -0.682 0.000 1.127 32 R HN 0.401 nan 8.270 nan 0.000 0.473 33 V N -0.189 119.789 119.914 0.107 0.000 2.962 33 V HA 0.763 4.882 4.120 -0.001 0.000 0.313 33 V C -0.416 175.848 176.094 0.283 0.000 1.099 33 V CA -1.104 61.292 62.300 0.160 0.000 0.971 33 V CB 2.023 33.903 31.823 0.095 0.000 1.028 33 V HN 0.896 nan 8.190 nan 0.000 0.430 34 M N 0.988 120.701 119.600 0.189 0.000 2.622 34 M HA 0.826 5.306 4.480 -0.001 0.000 0.276 34 M C -1.927 174.410 176.300 0.063 0.000 1.265 34 M CA -0.399 54.994 55.300 0.155 0.000 0.850 34 M CB 2.753 35.452 32.600 0.165 0.000 1.720 34 M HN 0.766 nan 8.290 nan 0.000 0.465 35 D N 0.351 120.768 120.400 0.027 0.000 2.886 35 D HA 0.183 4.822 4.640 -0.001 0.000 0.216 35 D C 0.164 176.446 176.300 -0.031 0.000 1.256 35 D CA 0.150 54.143 54.000 -0.011 0.000 0.844 35 D CB 2.598 43.390 40.800 -0.013 0.000 1.669 35 D HN 0.903 nan 8.370 nan 0.000 0.513 36 T N 0.493 115.024 114.554 -0.038 0.000 2.962 36 T HA 0.040 4.390 4.350 -0.001 0.000 0.270 36 T C 0.998 175.673 174.700 -0.042 0.000 1.088 36 T CA 0.493 62.572 62.100 -0.035 0.000 1.127 36 T CB 0.070 68.925 68.868 -0.022 0.000 0.883 36 T HN 0.205 nan 8.240 nan 0.000 0.493 37 R N 0.562 121.038 120.500 -0.040 0.000 2.491 37 R HA 0.291 4.630 4.340 -0.001 0.000 0.283 37 R C 1.464 177.731 176.300 -0.055 0.000 1.072 37 R CA -0.546 55.531 56.100 -0.039 0.000 1.048 37 R CB 0.440 30.723 30.300 -0.029 0.000 0.983 37 R HN 0.114 nan 8.270 nan 0.000 0.450 38 M N 0.936 120.503 119.600 -0.056 0.000 2.132 38 M HA -0.087 4.392 4.480 -0.001 0.000 0.263 38 M C 1.150 177.414 176.300 -0.059 0.000 1.065 38 M CA 1.751 57.010 55.300 -0.069 0.000 1.122 38 M CB -0.511 32.053 32.600 -0.059 0.000 1.365 38 M HN 0.652 nan 8.290 nan 0.000 0.411 39 T N -0.997 113.532 114.554 -0.042 0.000 3.504 39 T HA 0.424 4.774 4.350 -0.001 0.000 0.286 39 T C -2.512 172.172 174.700 -0.027 0.000 1.530 39 T CA -1.486 60.593 62.100 -0.036 0.000 1.652 39 T CB 0.452 69.302 68.868 -0.031 0.000 0.895 39 T HN 0.032 nan 8.240 nan 0.000 0.674 40 P HA 0.181 nan 4.420 nan 0.000 0.268 40 P C -1.669 175.621 177.300 -0.016 0.000 1.208 40 P CA -1.024 62.066 63.100 -0.017 0.000 0.777 40 P CB 0.661 32.352 31.700 -0.015 0.000 0.875 41 P HA -0.160 nan 4.420 nan 0.000 0.217 41 P C 1.315 178.598 177.300 -0.028 0.000 1.148 41 P CA 1.838 64.934 63.100 -0.006 0.000 0.828 41 P CB -0.448 31.261 31.700 0.016 0.000 0.783 42 G N -0.711 108.074 108.800 -0.024 0.000 3.042 42 G HA2 -0.012 3.948 3.960 -0.001 0.000 0.212 42 G HA3 -0.012 3.948 3.960 -0.001 0.000 0.212 42 G C 1.295 176.157 174.900 -0.063 0.000 1.166 42 G CA -0.157 44.912 45.100 -0.053 0.000 0.767 42 G HN 0.164 nan 8.290 nan 0.000 0.546 43 L N 2.043 123.237 121.223 -0.047 0.000 2.012 43 L HA -0.096 4.243 4.340 -0.001 0.000 0.210 43 L C 2.028 178.863 176.870 -0.059 0.000 1.073 43 L CA 2.458 57.273 54.840 -0.041 0.000 0.748 43 L CB -0.316 41.721 42.059 -0.036 0.000 0.891 43 L HN 0.340 nan 8.230 nan 0.000 0.431 44 D N -2.193 118.158 120.400 -0.082 0.000 2.324 44 D HA -0.078 4.561 4.640 -0.001 0.000 0.235 44 D C 1.129 177.339 176.300 -0.150 0.000 1.095 44 D CA 0.334 54.277 54.000 -0.094 0.000 0.871 44 D CB -0.234 40.516 40.800 -0.085 0.000 0.906 44 D HN 0.294 nan 8.370 nan 0.000 0.522 45 K N 0.010 120.295 120.400 -0.191 0.000 2.358 45 K HA 0.237 4.557 4.320 -0.001 0.000 0.197 45 K C 0.661 177.174 176.600 -0.145 0.000 1.025 45 K CA -0.212 55.895 56.287 -0.300 0.000 1.104 45 K CB 0.947 33.143 32.500 -0.506 0.000 0.855 45 K HN 0.265 nan 8.250 nan 0.000 0.531 46 L N 3.889 125.067 121.223 -0.075 0.000 2.395 46 L HA 0.204 4.543 4.340 -0.001 0.000 0.269 46 L C -1.937 174.926 176.870 -0.012 0.000 1.133 46 L CA -1.820 53.007 54.840 -0.022 0.000 0.812 46 L CB 0.400 42.457 42.059 -0.003 0.000 1.125 46 L HN -0.106 nan 8.230 nan 0.000 0.452 47 P HA 0.114 nan 4.420 nan 0.000 0.278 47 P C -0.190 177.113 177.300 0.006 0.000 1.238 47 P CA -0.403 62.702 63.100 0.009 0.000 0.794 47 P CB 1.012 32.724 31.700 0.020 0.000 0.955 48 E N 1.628 121.831 120.200 0.004 0.000 2.219 48 E HA -0.192 4.158 4.350 -0.001 0.000 0.198 48 E C 1.947 178.551 176.600 0.006 0.000 0.998 48 E CA 1.673 58.076 56.400 0.005 0.000 0.818 48 E CB -0.376 29.326 29.700 0.003 0.000 0.741 48 E HN 0.545 nan 8.360 nan 0.000 0.477 49 A N 0.750 123.572 122.820 0.003 0.000 2.067 49 A HA -0.048 4.271 4.320 -0.001 0.000 0.219 49 A C 1.155 178.732 177.584 -0.012 0.000 1.158 49 A CA 0.415 52.450 52.037 -0.004 0.000 0.661 49 A CB 0.059 19.056 19.000 -0.005 0.000 0.801 49 A HN 0.046 nan 8.150 nan 0.000 0.452 50 V N 2.196 122.107 119.914 -0.004 0.000 2.439 50 V HA 0.062 4.181 4.120 -0.001 0.000 0.271 50 V C 0.091 176.187 176.094 0.003 0.000 1.040 50 V CA -0.396 61.897 62.300 -0.011 0.000 1.002 50 V CB 0.473 32.301 31.823 0.008 0.000 1.000 50 V HN 0.501 nan 8.190 nan 0.000 0.477 51 E N 6.048 126.226 120.200 -0.036 0.000 2.360 51 E HA 0.350 4.700 4.350 -0.001 0.000 0.269 51 E C 0.004 176.699 176.600 0.158 0.000 1.022 51 E CA -0.378 56.037 56.400 0.026 0.000 0.887 51 E CB 0.752 30.358 29.700 -0.155 0.000 0.990 51 E HN 0.585 nan 8.360 nan 0.000 0.426 52 R N 2.415 123.107 120.500 0.321 0.000 2.725 52 R HA 0.460 4.800 4.340 -0.001 0.000 0.277 52 R C -1.729 174.784 176.300 0.354 0.000 0.987 52 R CA -0.929 55.382 56.100 0.352 0.000 0.901 52 R CB 1.209 31.602 30.300 0.156 0.000 1.207 52 R HN 0.706 nan 8.270 nan 0.000 0.463 53 H N 0.711 119.854 119.070 0.121 0.000 2.924 53 H HA 0.440 4.995 4.556 -0.001 0.000 0.333 53 H C -1.240 174.035 175.328 -0.089 0.000 0.979 53 H CA -0.038 55.929 56.048 -0.134 0.000 1.326 53 H CB 1.455 30.881 29.762 -0.560 0.000 1.600 53 H HN 0.979 nan 8.280 nan 0.000 0.520 54 T N 1.341 115.621 114.554 -0.457 0.000 2.930 54 T HA 0.577 4.927 4.350 -0.001 0.000 0.290 54 T C 0.984 175.453 174.700 -0.385 0.000 1.052 54 T CA -0.275 61.646 62.100 -0.299 0.000 1.017 54 T CB 1.648 70.426 68.868 -0.150 0.000 1.137 54 T HN 1.131 nan 8.240 nan 0.000 0.511 55 G N 0.315 108.995 108.800 -0.201 0.000 2.213 55 G HA2 0.056 4.015 3.960 -0.001 0.000 0.236 55 G HA3 0.056 4.015 3.960 -0.001 0.000 0.236 55 G C 0.257 175.103 174.900 -0.090 0.000 0.991 55 G CA 0.458 45.469 45.100 -0.148 0.000 0.629 55 G HN 2.305 nan 8.290 nan 0.000 0.517 56 S N -1.662 114.001 115.700 -0.062 0.000 2.683 56 S HA 0.628 5.097 4.470 -0.001 0.000 0.264 56 S C -0.825 173.844 174.600 0.115 0.000 1.066 56 S CA -0.708 57.516 58.200 0.039 0.000 0.846 56 S CB 1.188 64.437 63.200 0.080 0.000 1.114 56 S HN 0.915 nan 8.310 nan 0.000 0.476 57 L N 1.705 122.955 121.223 0.045 0.000 2.379 57 L HA 0.565 4.905 4.340 -0.001 0.000 0.269 57 L C 0.089 176.847 176.870 -0.187 0.000 1.084 57 L CA -0.869 53.951 54.840 -0.033 0.000 0.802 57 L CB 0.808 42.799 42.059 -0.114 0.000 1.175 57 L HN 0.780 nan 8.230 nan 0.000 0.448 58 N N 1.197 119.662 118.700 -0.391 0.000 2.609 58 N HA 0.070 4.809 4.740 -0.001 0.000 0.234 58 N C 0.107 175.427 175.510 -0.317 0.000 1.001 58 N CA -0.241 52.387 53.050 -0.703 0.000 0.926 58 N CB 0.996 38.639 38.487 -1.407 0.000 1.130 58 N HN 0.529 nan 8.380 nan 0.000 0.510 59 D N 2.023 122.300 120.400 -0.205 0.000 2.178 59 D HA -0.215 4.425 4.640 -0.001 0.000 0.201 59 D C 1.366 177.648 176.300 -0.031 0.000 0.980 59 D CA 1.186 55.138 54.000 -0.081 0.000 0.842 59 D CB 0.429 41.198 40.800 -0.052 0.000 0.948 59 D HN 0.778 nan 8.370 nan 0.000 0.472 60 E N 0.236 120.405 120.200 -0.052 0.000 2.077 60 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 60 E C 1.895 178.601 176.600 0.177 0.000 0.989 60 E CA 1.017 57.442 56.400 0.042 0.000 0.800 60 E CB -0.411 29.307 29.700 0.031 0.000 0.746 60 E HN 0.175 nan 8.360 nan 0.000 0.452 61 W N 0.954 122.200 121.300 -0.090 0.000 2.355 61 W HA -0.012 4.646 4.660 -0.003 0.000 0.309 61 W C 2.209 178.688 176.519 -0.068 0.000 1.206 61 W CA 0.859 58.156 57.345 -0.080 0.000 1.284 61 W CB -1.029 28.374 29.460 -0.096 0.000 1.145 61 W HN 0.156 nan 8.180 nan 0.000 0.502 62 L N -0.536 120.792 121.223 0.175 0.000 2.017 62 L HA -0.262 4.077 4.340 -0.001 0.000 0.208 62 L C 2.383 179.284 176.870 0.052 0.000 1.073 62 L CA 1.053 55.941 54.840 0.080 0.000 0.745 62 L CB -0.951 41.130 42.059 0.036 0.000 0.894 62 L HN -0.116 nan 8.230 nan 0.000 0.432 63 M N -0.585 119.045 119.600 0.049 0.000 2.460 63 M HA -0.072 4.407 4.480 -0.001 0.000 0.263 63 M C 2.056 178.374 176.300 0.031 0.000 1.071 63 M CA 1.177 56.498 55.300 0.034 0.000 1.096 63 M CB -1.263 31.354 32.600 0.027 0.000 1.408 63 M HN 0.271 nan 8.290 nan 0.000 0.463 64 A N -0.331 122.513 122.820 0.040 0.000 2.308 64 A HA 0.543 4.862 4.320 -0.001 0.000 0.217 64 A C 1.213 178.793 177.584 -0.006 0.000 1.216 64 A CA 0.239 52.287 52.037 0.019 0.000 0.864 64 A CB -0.295 18.720 19.000 0.026 0.000 0.902 64 A HN 0.342 nan 8.150 nan 0.000 0.499 65 A N -0.132 122.686 122.820 -0.003 0.000 2.366 65 A HA 0.423 4.742 4.320 -0.001 0.000 0.249 65 A C 0.449 178.024 177.584 -0.015 0.000 1.084 65 A CA 0.086 52.107 52.037 -0.025 0.000 0.794 65 A CB 0.284 19.270 19.000 -0.022 0.000 1.034 65 A HN 0.259 nan 8.150 nan 0.000 0.491 66 D N -0.897 119.490 120.400 -0.022 0.000 2.380 66 D HA 0.191 4.831 4.640 -0.001 0.000 0.212 66 D C -0.383 175.928 176.300 0.019 0.000 1.021 66 D CA 0.786 54.788 54.000 0.003 0.000 0.884 66 D CB 0.450 41.256 40.800 0.010 0.000 1.001 66 D HN 0.289 nan 8.370 nan 0.000 0.506 67 L N 0.764 121.985 121.223 -0.003 0.000 2.493 67 L HA 0.423 4.762 4.340 -0.001 0.000 0.265 67 L C -1.790 175.060 176.870 -0.032 0.000 0.954 67 L CA -0.492 54.355 54.840 0.012 0.000 0.844 67 L CB 2.319 44.408 42.059 0.051 0.000 1.302 67 L HN -0.243 nan 8.230 nan 0.000 0.405 68 I N 5.251 125.817 120.570 -0.006 0.000 2.378 68 I HA 0.494 4.663 4.170 -0.001 0.000 0.291 68 I C -0.812 175.305 176.117 -0.001 0.000 0.992 68 I CA -0.944 60.346 61.300 -0.016 0.000 1.154 68 I CB 1.966 39.965 38.000 -0.002 0.000 1.315 68 I HN 0.260 nan 8.210 nan 0.000 0.448 69 V N 5.986 125.894 119.914 -0.009 0.000 2.334 69 V HA 0.546 4.666 4.120 -0.001 0.000 0.281 69 V C 0.330 176.429 176.094 0.009 0.000 1.016 69 V CA -0.541 61.773 62.300 0.023 0.000 0.832 69 V CB 1.281 33.150 31.823 0.077 0.000 0.999 69 V HN 0.807 nan 8.190 nan 0.000 0.439 70 A N 3.984 126.805 122.820 0.002 0.000 2.260 70 A HA 0.703 5.023 4.320 -0.001 0.000 0.314 70 A C 0.467 178.040 177.584 -0.018 0.000 1.257 70 A CA -0.298 51.729 52.037 -0.017 0.000 0.871 70 A CB 0.657 19.642 19.000 -0.025 0.000 1.166 70 A HN 0.694 nan 8.150 nan 0.000 0.522 71 S N 3.119 118.803 115.700 -0.026 0.000 2.576 71 S HA 0.197 4.667 4.470 -0.001 0.000 0.272 71 S C -1.440 173.134 174.600 -0.045 0.000 1.352 71 S CA -0.413 57.771 58.200 -0.025 0.000 1.021 71 S CB 0.429 63.614 63.200 -0.025 0.000 0.887 71 S HN 0.626 nan 8.310 nan 0.000 0.542 72 P HA -0.007 nan 4.420 nan 0.000 0.220 72 P C 1.305 178.486 177.300 -0.199 0.000 1.148 72 P CA 0.738 63.833 63.100 -0.008 0.000 0.803 72 P CB -0.134 31.640 31.700 0.122 0.000 0.782 73 G N -1.124 107.576 108.800 -0.167 0.000 2.776 73 G HA2 -0.030 3.929 3.960 -0.001 0.000 0.209 73 G HA3 -0.030 3.929 3.960 -0.001 0.000 0.209 73 G C 0.446 175.180 174.900 -0.276 0.000 1.145 73 G CA 0.014 44.966 45.100 -0.246 0.000 0.791 73 G HN 0.316 nan 8.290 nan 0.000 0.530 74 I N 0.487 120.913 120.570 -0.239 0.000 2.509 74 I HA 0.663 4.832 4.170 -0.001 0.000 0.293 74 I C -0.103 175.888 176.117 -0.210 0.000 1.020 74 I CA -1.259 59.925 61.300 -0.194 0.000 1.088 74 I CB 1.969 39.879 38.000 -0.149 0.000 1.267 74 I HN 0.021 nan 8.210 nan 0.000 0.430 75 A N 6.795 129.510 122.820 -0.176 0.000 2.354 75 A HA 0.367 4.687 4.320 -0.001 0.000 0.269 75 A C 0.777 178.332 177.584 -0.048 0.000 1.109 75 A CA -0.377 51.564 52.037 -0.159 0.000 0.800 75 A CB 0.613 19.506 19.000 -0.179 0.000 1.045 75 A HN 0.949 nan 8.150 nan 0.000 0.489 76 L N 1.839 123.041 121.223 -0.036 0.000 2.265 76 L HA -0.191 4.149 4.340 -0.001 0.000 0.215 76 L C 2.599 179.492 176.870 0.037 0.000 1.117 76 L CA 1.374 56.222 54.840 0.013 0.000 0.782 76 L CB -0.231 41.846 42.059 0.030 0.000 0.914 76 L HN 0.861 nan 8.230 nan 0.000 0.441 77 A N -1.995 120.836 122.820 0.018 0.000 2.206 77 A HA -0.114 4.205 4.320 -0.001 0.000 0.211 77 A C 1.028 178.628 177.584 0.026 0.000 1.158 77 A CA -0.006 52.045 52.037 0.024 0.000 0.761 77 A CB -0.665 18.325 19.000 -0.015 0.000 0.801 77 A HN 0.346 nan 8.150 nan 0.000 0.473 78 H N 0.796 119.835 119.070 -0.052 0.000 3.034 78 H HA 0.040 4.596 4.556 -0.001 0.000 0.324 78 H C -1.757 173.555 175.328 -0.026 0.000 1.015 78 H CA -1.088 54.931 56.048 -0.049 0.000 1.429 78 H CB 0.955 30.682 29.762 -0.058 0.000 1.429 78 H HN 0.031 nan 8.280 nan 0.000 0.585 79 P HA -0.148 nan 4.420 nan 0.000 0.217 79 P C 1.511 178.897 177.300 0.143 0.000 1.148 79 P CA 1.559 64.659 63.100 0.001 0.000 0.828 79 P CB 0.301 31.942 31.700 -0.100 0.000 0.783 80 S N -1.041 114.888 115.700 0.382 0.000 2.368 80 S HA -0.059 4.411 4.470 -0.001 0.000 0.224 80 S C 1.784 176.448 174.600 0.106 0.000 1.029 80 S CA 0.981 59.301 58.200 0.199 0.000 0.988 80 S CB -0.906 62.362 63.200 0.114 0.000 0.838 80 S HN 0.134 nan 8.310 nan 0.000 0.462 81 L N 0.571 121.867 121.223 0.121 0.000 2.131 81 L HA -0.012 4.327 4.340 -0.001 0.000 0.206 81 L C 2.661 179.566 176.870 0.058 0.000 1.087 81 L CA 0.802 55.674 54.840 0.054 0.000 0.767 81 L CB -0.506 41.574 42.059 0.034 0.000 0.917 81 L HN 0.318 nan 8.230 nan 0.000 0.441 82 S N -0.041 115.703 115.700 0.074 0.000 2.356 82 S HA -0.201 4.268 4.470 -0.001 0.000 0.223 82 S C 2.161 176.788 174.600 0.045 0.000 1.032 82 S CA 1.367 59.600 58.200 0.056 0.000 1.005 82 S CB -0.062 63.170 63.200 0.052 0.000 0.867 82 S HN 0.441 nan 8.310 nan 0.000 0.449 83 A N 1.518 124.366 122.820 0.046 0.000 1.883 83 A HA 0.087 4.407 4.320 -0.001 0.000 0.217 83 A C 2.486 180.089 177.584 0.031 0.000 1.186 83 A CA 2.102 54.160 52.037 0.035 0.000 0.624 83 A CB -1.507 17.514 19.000 0.034 0.000 0.822 83 A HN 0.772 nan 8.150 nan 0.000 0.444 84 A N -0.248 122.591 122.820 0.032 0.000 1.908 84 A HA 0.114 4.434 4.320 -0.001 0.000 0.218 84 A C 2.522 180.122 177.584 0.027 0.000 1.181 84 A CA 2.317 54.370 52.037 0.027 0.000 0.627 84 A CB -1.070 17.944 19.000 0.023 0.000 0.818 84 A HN 1.131 nan 8.150 nan 0.000 0.445 85 A N 0.074 122.912 122.820 0.031 0.000 1.902 85 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 85 A C 1.756 179.357 177.584 0.029 0.000 1.181 85 A CA 1.877 53.933 52.037 0.031 0.000 0.623 85 A CB -0.621 18.401 19.000 0.036 0.000 0.818 85 A HN 0.474 nan 8.150 nan 0.000 0.443 86 D N 0.144 120.561 120.400 0.028 0.000 2.178 86 D HA -0.042 4.597 4.640 -0.001 0.000 0.201 86 D C 1.848 178.160 176.300 0.021 0.000 0.980 86 D CA 1.428 55.443 54.000 0.024 0.000 0.842 86 D CB -0.328 40.486 40.800 0.023 0.000 0.948 86 D HN 0.451 nan 8.370 nan 0.000 0.472 87 A N -0.190 122.642 122.820 0.021 0.000 2.259 87 A HA 0.394 4.713 4.320 -0.001 0.000 0.208 87 A C 1.666 179.261 177.584 0.019 0.000 1.201 87 A CA 0.913 52.961 52.037 0.018 0.000 0.824 87 A CB -0.355 18.656 19.000 0.018 0.000 0.838 87 A HN 0.233 nan 8.150 nan 0.000 0.485 88 G N -0.629 108.184 108.800 0.021 0.000 2.147 88 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.244 88 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.244 88 G C 0.021 174.935 174.900 0.024 0.000 1.005 88 G CA 0.279 45.393 45.100 0.022 0.000 0.713 88 G HN 0.507 nan 8.290 nan 0.000 0.515 89 I N 0.934 121.519 120.570 0.024 0.000 2.352 89 I HA 0.227 4.397 4.170 -0.001 0.000 0.290 89 I C 0.957 177.092 176.117 0.031 0.000 1.036 89 I CA -0.513 60.802 61.300 0.025 0.000 1.336 89 I CB 1.164 39.177 38.000 0.021 0.000 1.407 89 I HN 0.270 nan 8.210 nan 0.000 0.497 90 E N 6.971 127.194 120.200 0.037 0.000 2.414 90 E HA 0.206 4.555 4.350 -0.001 0.000 0.263 90 E C -1.016 175.612 176.600 0.045 0.000 1.000 90 E CA 0.065 56.494 56.400 0.047 0.000 0.914 90 E CB 0.679 30.418 29.700 0.064 0.000 0.948 90 E HN 0.440 nan 8.360 nan 0.000 0.444 91 I N 5.516 126.113 120.570 0.045 0.000 2.466 91 I HA 0.325 4.495 4.170 -0.001 0.000 0.289 91 I C -0.477 175.667 176.117 0.046 0.000 1.026 91 I CA -0.835 60.488 61.300 0.038 0.000 1.078 91 I CB 1.726 39.743 38.000 0.030 0.000 1.249 91 I HN 0.384 nan 8.210 nan 0.000 0.429 92 V N 2.248 122.189 119.914 0.046 0.000 3.182 92 V HA 1.013 5.132 4.120 -0.001 0.000 0.308 92 V C -0.310 175.801 176.094 0.029 0.000 1.240 92 V CA -0.497 61.831 62.300 0.046 0.000 1.063 92 V CB 1.543 33.408 31.823 0.068 0.000 1.076 92 V HN 0.739 nan 8.190 nan 0.000 0.446 93 G N -0.088 108.722 108.800 0.017 0.000 2.932 93 G HA2 0.503 4.463 3.960 -0.001 0.000 0.283 93 G HA3 0.503 4.463 3.960 -0.001 0.000 0.283 93 G C 0.227 175.108 174.900 -0.032 0.000 1.336 93 G CA 0.259 45.359 45.100 0.000 0.000 1.056 93 G HN 1.020 nan 8.290 nan 0.000 0.522 94 D N -0.690 119.678 120.400 -0.053 0.000 2.178 94 D HA -0.162 4.478 4.640 -0.001 0.000 0.201 94 D C 2.028 178.269 176.300 -0.099 0.000 0.980 94 D CA 0.733 54.665 54.000 -0.113 0.000 0.842 94 D CB 0.011 40.750 40.800 -0.102 0.000 0.948 94 D HN 0.164 nan 8.370 nan 0.000 0.472 95 I N 1.120 121.653 120.570 -0.062 0.000 2.315 95 I HA -0.174 3.996 4.170 -0.001 0.000 0.248 95 I C 2.485 178.623 176.117 0.035 0.000 1.117 95 I CA 0.955 62.234 61.300 -0.036 0.000 1.404 95 I CB -1.157 36.811 38.000 -0.053 0.000 1.071 95 I HN 0.073 nan 8.210 nan 0.000 0.419 96 E N 1.687 121.893 120.200 0.009 0.000 2.051 96 E HA -0.179 4.170 4.350 -0.001 0.000 0.192 96 E C 2.290 178.895 176.600 0.009 0.000 0.991 96 E CA 1.384 57.800 56.400 0.026 0.000 0.799 96 E CB -0.438 29.281 29.700 0.032 0.000 0.748 96 E HN 0.447 nan 8.360 nan 0.000 0.449 97 L N -0.296 120.884 121.223 -0.072 0.000 2.042 97 L HA -0.140 4.200 4.340 -0.001 0.000 0.210 97 L C 2.446 179.203 176.870 -0.188 0.000 1.076 97 L CA 1.448 56.166 54.840 -0.203 0.000 0.749 97 L CB -0.581 41.112 42.059 -0.611 0.000 0.893 97 L HN 0.195 nan 8.230 nan 0.000 0.432 98 F N 0.283 120.061 119.950 -0.286 0.000 2.102 98 F HA -0.258 4.268 4.527 -0.001 0.000 0.298 98 F C 2.569 178.275 175.800 -0.157 0.000 1.105 98 F CA 1.639 59.495 58.000 -0.240 0.000 1.239 98 F CB -0.424 38.425 39.000 -0.251 0.000 0.991 98 F HN 0.038 nan 8.300 nan 0.000 0.474 99 C N 0.945 120.266 119.300 0.035 0.000 2.422 99 C HA -0.142 4.318 4.460 -0.001 0.000 0.279 99 C C 2.708 177.641 174.990 -0.095 0.000 1.305 99 C CA 1.089 60.089 59.018 -0.029 0.000 1.757 99 C CB -1.425 26.357 27.740 0.069 0.000 1.962 99 C HN 0.445 nan 8.230 nan 0.000 0.499 100 R N 0.598 121.068 120.500 -0.050 0.000 2.148 100 R HA -0.074 4.265 4.340 -0.001 0.000 0.227 100 R C 1.808 178.081 176.300 -0.045 0.000 1.103 100 R CA 0.917 57.010 56.100 -0.011 0.000 0.983 100 R CB -0.110 30.233 30.300 0.071 0.000 0.874 100 R HN 0.591 nan 8.270 nan 0.000 0.451 101 E N 0.195 120.319 120.200 -0.126 0.000 2.389 101 E HA 0.142 4.491 4.350 -0.001 0.000 0.199 101 E C 0.344 176.801 176.600 -0.238 0.000 0.978 101 E CA 0.113 56.437 56.400 -0.126 0.000 0.912 101 E CB 0.238 29.915 29.700 -0.039 0.000 0.907 101 E HN 0.176 nan 8.360 nan 0.000 0.494 102 A N 2.176 124.721 122.820 -0.457 0.000 2.567 102 A HA -0.038 4.282 4.320 -0.001 0.000 0.240 102 A C 0.838 178.369 177.584 -0.089 0.000 1.053 102 A CA 0.428 52.215 52.037 -0.417 0.000 0.755 102 A CB 0.202 18.872 19.000 -0.548 0.000 0.978 102 A HN -0.022 nan 8.150 nan 0.000 0.507 103 Q N 0.109 119.938 119.800 0.048 0.000 2.179 103 Q HA 0.394 4.734 4.340 -0.001 0.000 0.213 103 Q C 0.026 176.080 176.000 0.090 0.000 0.833 103 Q CA 0.730 56.566 55.803 0.055 0.000 0.990 103 Q CB 0.579 29.340 28.738 0.038 0.000 1.132 103 Q HN 0.857 nan 8.270 nan 0.000 0.493 104 A N 1.357 124.285 122.820 0.180 0.000 2.515 104 A HA 0.756 5.076 4.320 -0.001 0.000 0.296 104 A C -2.685 175.016 177.584 0.194 0.000 1.094 104 A CA -1.572 50.539 52.037 0.124 0.000 0.718 104 A CB 1.060 20.042 19.000 -0.029 0.000 1.307 104 A HN -0.116 nan 8.150 nan 0.000 0.408 105 P HA 0.380 nan 4.420 nan 0.000 0.268 105 P C -0.984 176.437 177.300 0.202 0.000 1.208 105 P CA 0.319 63.496 63.100 0.127 0.000 0.777 105 P CB 0.347 32.090 31.700 0.072 0.000 0.875 106 I N 1.325 122.005 120.570 0.183 0.000 2.436 106 I HA 0.259 4.428 4.170 -0.001 0.000 0.289 106 I C -0.567 175.621 176.117 0.118 0.000 1.010 106 I CA -0.968 60.454 61.300 0.204 0.000 1.098 106 I CB 2.045 40.173 38.000 0.213 0.000 1.266 106 I HN -0.052 nan 8.210 nan 0.000 0.434 107 V N 5.540 125.511 119.914 0.096 0.000 2.394 107 V HA 0.677 4.797 4.120 -0.001 0.000 0.282 107 V C 0.232 176.345 176.094 0.032 0.000 1.031 107 V CA -0.397 61.933 62.300 0.049 0.000 0.881 107 V CB 1.438 33.275 31.823 0.024 0.000 0.982 107 V HN 0.815 nan 8.190 nan 0.000 0.451 108 A N 6.681 129.511 122.820 0.017 0.000 2.331 108 A HA 0.919 5.238 4.320 -0.001 0.000 0.320 108 A C -0.864 176.701 177.584 -0.032 0.000 1.138 108 A CA -0.498 51.532 52.037 -0.012 0.000 0.790 108 A CB 0.798 19.790 19.000 -0.014 0.000 1.206 108 A HN 0.757 nan 8.150 nan 0.000 0.470 109 I N 1.438 121.978 120.570 -0.051 0.000 2.466 109 I HA 0.574 4.743 4.170 -0.001 0.000 0.289 109 I C 0.134 176.206 176.117 -0.074 0.000 1.026 109 I CA -0.185 61.080 61.300 -0.058 0.000 1.078 109 I CB 2.528 40.495 38.000 -0.056 0.000 1.249 109 I HN 0.661 nan 8.210 nan 0.000 0.429 110 T N 2.995 117.498 114.554 -0.084 0.000 2.778 110 T HA 0.940 5.289 4.350 -0.001 0.000 0.293 110 T C -0.415 174.242 174.700 -0.071 0.000 1.144 110 T CA 0.136 62.177 62.100 -0.098 0.000 1.010 110 T CB 1.966 70.744 68.868 -0.151 0.000 1.325 110 T HN 1.067 nan 8.240 nan 0.000 0.515 111 G N 0.798 109.554 108.800 -0.072 0.000 2.302 111 G HA2 0.326 4.286 3.960 -0.001 0.000 0.264 111 G HA3 0.326 4.286 3.960 -0.001 0.000 0.264 111 G C -1.517 173.381 174.900 -0.002 0.000 1.335 111 G CA -0.080 45.004 45.100 -0.028 0.000 0.982 111 G HN 1.022 nan 8.290 nan 0.000 0.473 112 S N 1.223 116.943 115.700 0.033 0.000 2.707 112 S HA 0.694 5.164 4.470 -0.001 0.000 0.303 112 S C -0.172 174.447 174.600 0.032 0.000 1.132 112 S CA -0.102 58.123 58.200 0.042 0.000 1.046 112 S CB 1.284 64.525 63.200 0.069 0.000 1.004 112 S HN 1.596 nan 8.310 nan 0.000 0.483 113 N N 1.371 120.084 118.700 0.022 0.000 4.161 113 N HA -0.180 4.559 4.740 -0.001 0.000 0.323 113 N C 0.729 176.255 175.510 0.027 0.000 2.153 113 N CA 1.590 54.651 53.050 0.018 0.000 3.017 113 N CB -0.727 37.767 38.487 0.012 0.000 0.293 113 N HN 1.446 nan 8.380 nan 0.000 0.790 114 G N 2.733 111.549 108.800 0.027 0.000 2.205 114 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.261 114 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.261 114 G C 1.123 176.036 174.900 0.022 0.000 0.980 114 G CA 1.162 46.284 45.100 0.037 0.000 0.632 114 G HN 0.765 nan 8.290 nan 0.000 0.533 115 K N 0.518 120.924 120.400 0.010 0.000 2.044 115 K HA -0.105 4.215 4.320 -0.001 0.000 0.210 115 K C 2.674 179.268 176.600 -0.010 0.000 1.049 115 K CA 1.806 58.088 56.287 -0.008 0.000 0.927 115 K CB -0.357 32.133 32.500 -0.016 0.000 0.713 115 K HN 0.411 nan 8.250 nan 0.000 0.443 116 S N 0.402 116.104 115.700 0.004 0.000 2.382 116 S HA -0.115 4.355 4.470 -0.001 0.000 0.228 116 S C 2.003 176.624 174.600 0.036 0.000 1.027 116 S CA 1.631 59.838 58.200 0.012 0.000 0.991 116 S CB -0.289 62.922 63.200 0.017 0.000 0.823 116 S HN 0.364 nan 8.310 nan 0.000 0.469 117 T N 1.904 116.493 114.554 0.059 0.000 2.777 117 T HA -0.034 4.316 4.350 -0.001 0.000 0.266 117 T C 1.934 176.647 174.700 0.022 0.000 1.040 117 T CA 1.135 63.308 62.100 0.121 0.000 1.141 117 T CB -0.350 68.610 68.868 0.154 0.000 0.868 117 T HN 0.192 nan 8.240 nan 0.000 0.444 118 V N 1.503 121.394 119.914 -0.037 0.000 2.427 118 V HA -0.159 3.960 4.120 -0.001 0.000 0.248 118 V C 2.775 178.795 176.094 -0.124 0.000 1.051 118 V CA 1.852 64.080 62.300 -0.119 0.000 1.048 118 V CB -1.044 30.703 31.823 -0.127 0.000 0.666 118 V HN 0.521 nan 8.190 nan 0.000 0.456 119 T N -0.388 114.122 114.554 -0.073 0.000 2.708 119 T HA -0.196 4.153 4.350 -0.001 0.000 0.266 119 T C 1.978 176.643 174.700 -0.058 0.000 1.037 119 T CA 2.150 64.214 62.100 -0.060 0.000 1.146 119 T CB -0.374 68.471 68.868 -0.038 0.000 0.865 119 T HN 0.534 nan 8.240 nan 0.000 0.435 120 T N 2.387 116.922 114.554 -0.031 0.000 2.746 120 T HA -0.042 4.308 4.350 -0.001 0.000 0.267 120 T C 1.880 176.516 174.700 -0.106 0.000 1.039 120 T CA 0.829 62.931 62.100 0.003 0.000 1.142 120 T CB -0.459 68.487 68.868 0.130 0.000 0.866 120 T HN 0.099 nan 8.240 nan 0.000 0.444 121 L N 1.530 122.558 121.223 -0.326 0.000 2.017 121 L HA -0.031 4.308 4.340 -0.001 0.000 0.208 121 L C 2.451 179.143 176.870 -0.297 0.000 1.073 121 L CA 1.510 55.989 54.840 -0.602 0.000 0.745 121 L CB -0.907 40.646 42.059 -0.843 0.000 0.894 121 L HN 0.086 nan 8.230 nan 0.000 0.432 122 V N 0.270 120.062 119.914 -0.204 0.000 2.332 122 V HA -0.263 3.856 4.120 -0.001 0.000 0.248 122 V C 2.648 178.692 176.094 -0.083 0.000 1.055 122 V CA 1.806 64.030 62.300 -0.128 0.000 1.038 122 V CB -1.789 29.975 31.823 -0.097 0.000 0.651 122 V HN 0.647 nan 8.190 nan 0.000 0.450 123 G N -0.404 108.357 108.800 -0.065 0.000 2.440 123 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.218 123 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.218 123 G C 1.480 176.373 174.900 -0.012 0.000 1.154 123 G CA 0.748 45.835 45.100 -0.022 0.000 0.767 123 G HN 0.493 nan 8.290 nan 0.000 0.552 124 E N 0.347 120.531 120.200 -0.027 0.000 2.072 124 E HA -0.046 4.303 4.350 -0.001 0.000 0.191 124 E C 2.641 179.232 176.600 -0.015 0.000 0.985 124 E CA 0.685 57.086 56.400 0.001 0.000 0.801 124 E CB -0.405 29.302 29.700 0.012 0.000 0.750 124 E HN 0.493 nan 8.360 nan 0.000 0.452 125 M N 0.267 119.836 119.600 -0.052 0.000 2.213 125 M HA -0.131 4.349 4.480 -0.001 0.000 0.263 125 M C 2.302 178.590 176.300 -0.020 0.000 1.062 125 M CA 1.587 56.864 55.300 -0.039 0.000 1.105 125 M CB -0.266 32.298 32.600 -0.059 0.000 1.385 125 M HN 0.050 nan 8.290 nan 0.000 0.417 126 A N 0.558 123.367 122.820 -0.019 0.000 1.929 126 A HA -0.115 4.204 4.320 -0.001 0.000 0.216 126 A C 2.077 179.660 177.584 -0.001 0.000 1.176 126 A CA 1.345 53.376 52.037 -0.011 0.000 0.628 126 A CB -0.361 18.631 19.000 -0.013 0.000 0.816 126 A HN 0.418 nan 8.150 nan 0.000 0.444 127 K N 0.038 120.443 120.400 0.008 0.000 2.148 127 K HA -0.005 4.315 4.320 -0.001 0.000 0.204 127 K C 2.169 178.776 176.600 0.011 0.000 1.050 127 K CA 1.033 57.331 56.287 0.018 0.000 0.942 127 K CB -0.286 32.236 32.500 0.037 0.000 0.724 127 K HN 0.419 nan 8.250 nan 0.000 0.446 128 A N 1.423 124.249 122.820 0.009 0.000 1.969 128 A HA -0.037 4.282 4.320 -0.001 0.000 0.218 128 A C 2.214 179.800 177.584 0.005 0.000 1.169 128 A CA 1.637 53.679 52.037 0.008 0.000 0.635 128 A CB -0.438 18.567 19.000 0.009 0.000 0.810 128 A HN 0.307 nan 8.150 nan 0.000 0.445 129 A N -1.718 121.104 122.820 0.002 0.000 2.251 129 A HA 0.423 4.743 4.320 -0.001 0.000 0.209 129 A C 1.664 179.248 177.584 0.000 0.000 1.187 129 A CA 1.092 53.130 52.037 0.001 0.000 0.823 129 A CB -0.937 18.063 19.000 0.000 0.000 0.846 129 A HN 1.862 nan 8.150 nan 0.000 0.486 130 G N -1.203 107.597 108.800 0.001 0.000 2.147 130 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.244 130 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.244 130 G C 0.061 174.960 174.900 -0.002 0.000 1.005 130 G CA 0.153 45.253 45.100 0.000 0.000 0.713 130 G HN 0.768 nan 8.290 nan 0.000 0.515 131 V N 1.180 121.091 119.914 -0.005 0.000 2.461 131 V HA 0.325 4.444 4.120 -0.001 0.000 0.275 131 V C 0.862 176.947 176.094 -0.016 0.000 1.047 131 V CA -0.956 61.336 62.300 -0.014 0.000 0.955 131 V CB 1.660 33.471 31.823 -0.019 0.000 0.988 131 V HN 0.429 nan 8.190 nan 0.000 0.471 132 N N 4.322 123.007 118.700 -0.025 0.000 2.400 132 N HA 0.052 4.791 4.740 -0.001 0.000 0.267 132 N C -0.718 174.755 175.510 -0.061 0.000 1.208 132 N CA 0.325 53.361 53.050 -0.024 0.000 0.951 132 N CB 1.164 39.635 38.487 -0.026 0.000 1.227 132 N HN 0.510 nan 8.380 nan 0.000 0.488 133 V N 2.609 122.502 119.914 -0.035 0.000 2.630 133 V HA 0.805 4.925 4.120 -0.001 0.000 0.305 133 V C 0.230 176.308 176.094 -0.027 0.000 1.046 133 V CA -0.558 61.709 62.300 -0.054 0.000 0.934 133 V CB 1.559 33.371 31.823 -0.018 0.000 1.003 133 V HN 0.635 nan 8.190 nan 0.000 0.451 134 G N 5.106 113.885 108.800 -0.035 0.000 2.533 134 G HA2 0.574 4.534 3.960 -0.001 0.000 0.310 134 G HA3 0.574 4.534 3.960 -0.001 0.000 0.310 134 G C -1.235 173.740 174.900 0.125 0.000 1.266 134 G CA -0.344 44.805 45.100 0.082 0.000 0.967 134 G HN 0.778 nan 8.290 nan 0.000 0.493 135 V N 2.185 122.142 119.914 0.071 0.000 2.394 135 V HA 0.917 5.036 4.120 -0.001 0.000 0.282 135 V C 0.793 176.893 176.094 0.010 0.000 1.031 135 V CA 0.586 62.909 62.300 0.039 0.000 0.881 135 V CB 0.876 32.712 31.823 0.021 0.000 0.982 135 V HN 1.081 nan 8.190 nan 0.000 0.451 136 G N 2.247 111.029 108.800 -0.029 0.000 2.578 136 G HA2 0.776 4.735 3.960 -0.001 0.000 0.302 136 G HA3 0.776 4.735 3.960 -0.001 0.000 0.302 136 G C -0.097 174.730 174.900 -0.121 0.000 1.243 136 G CA 0.425 45.480 45.100 -0.075 0.000 0.843 136 G HN 1.502 nan 8.290 nan 0.000 0.486 137 G N -0.047 108.660 108.800 -0.154 0.000 2.475 137 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.223 137 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.223 137 G C 0.856 175.699 174.900 -0.094 0.000 1.201 137 G CA 0.936 45.942 45.100 -0.157 0.000 0.962 137 G HN 1.519 nan 8.290 nan 0.000 0.586 138 N N 0.182 118.836 118.700 -0.077 0.000 2.430 138 N HA 0.005 4.745 4.740 -0.001 0.000 0.186 138 N C 2.244 177.733 175.510 -0.036 0.000 1.032 138 N CA 1.786 54.809 53.050 -0.046 0.000 0.893 138 N CB -0.185 38.275 38.487 -0.044 0.000 0.957 138 N HN 0.601 nan 8.380 nan 0.000 0.442 139 I N -1.874 118.669 120.570 -0.044 0.000 2.614 139 I HA -0.054 4.115 4.170 -0.001 0.000 0.258 139 I C 1.309 177.404 176.117 -0.036 0.000 1.189 139 I CA 1.260 62.539 61.300 -0.034 0.000 1.462 139 I CB -0.027 37.953 38.000 -0.033 0.000 1.092 139 I HN 0.342 nan 8.210 nan 0.000 0.442 140 G N 0.210 108.986 108.800 -0.040 0.000 4.172 140 G HA2 -0.093 3.867 3.960 -0.001 0.000 0.204 140 G HA3 -0.093 3.867 3.960 -0.001 0.000 0.204 140 G C -0.399 174.479 174.900 -0.037 0.000 1.256 140 G CA -0.107 44.970 45.100 -0.039 0.000 0.886 140 G HN 0.098 nan 8.290 nan 0.000 0.344 141 L N 4.061 125.258 121.223 -0.043 0.000 2.261 141 L HA 0.666 5.005 4.340 -0.001 0.000 0.289 141 L C -2.283 174.553 176.870 -0.057 0.000 1.059 141 L CA -2.360 52.457 54.840 -0.038 0.000 0.816 141 L CB 0.644 42.684 42.059 -0.032 0.000 1.191 141 L HN -0.047 nan 8.230 nan 0.000 0.431 142 P HA -0.004 nan 4.420 nan 0.000 0.261 142 P C 0.288 177.518 177.300 -0.116 0.000 1.173 142 P CA 0.455 63.512 63.100 -0.072 0.000 0.760 142 P CB 0.742 32.423 31.700 -0.032 0.000 0.783 143 A N 4.536 127.216 122.820 -0.233 0.000 1.927 143 A HA -0.230 4.089 4.320 -0.001 0.000 0.220 143 A C 1.942 179.413 177.584 -0.190 0.000 1.185 143 A CA 1.786 53.544 52.037 -0.465 0.000 0.639 143 A CB -1.512 16.940 19.000 -0.913 0.000 0.820 143 A HN 0.593 nan 8.150 nan 0.000 0.451 144 L N -1.091 120.114 121.223 -0.029 0.000 2.265 144 L HA -0.170 4.170 4.340 -0.001 0.000 0.215 144 L C 2.126 179.075 176.870 0.132 0.000 1.117 144 L CA 0.667 55.577 54.840 0.117 0.000 0.782 144 L CB -0.438 41.605 42.059 -0.026 0.000 0.914 144 L HN 0.361 nan 8.230 nan 0.000 0.441 145 M N -0.912 118.732 119.600 0.073 0.000 2.659 145 M HA -0.022 4.457 4.480 -0.001 0.000 0.243 145 M C 1.899 178.265 176.300 0.109 0.000 1.111 145 M CA 1.103 56.450 55.300 0.078 0.000 1.070 145 M CB -0.551 32.071 32.600 0.037 0.000 1.525 145 M HN 0.278 nan 8.290 nan 0.000 0.517 146 L N -0.756 120.564 121.223 0.161 0.000 2.416 146 L HA 0.133 4.473 4.340 -0.001 0.000 0.216 146 L C 0.713 177.805 176.870 0.369 0.000 1.098 146 L CA -0.178 54.819 54.840 0.263 0.000 0.840 146 L CB -0.003 42.252 42.059 0.327 0.000 0.981 146 L HN 0.134 nan 8.230 nan 0.000 0.462 147 L N 1.741 123.154 121.223 0.316 0.000 2.667 147 L HA -0.118 4.221 4.340 -0.001 0.000 0.278 147 L C -0.666 176.321 176.870 0.195 0.000 1.217 147 L CA 0.817 55.797 54.840 0.233 0.000 0.935 147 L CB -0.180 41.954 42.059 0.124 0.000 1.193 147 L HN 0.140 nan 8.230 nan 0.000 0.493 148 D N 0.576 121.104 120.400 0.214 0.000 2.726 148 D HA 0.088 4.727 4.640 -0.001 0.000 0.203 148 D C 0.019 176.380 176.300 0.101 0.000 1.297 148 D CA -0.549 53.526 54.000 0.126 0.000 0.863 148 D CB 1.098 41.967 40.800 0.114 0.000 1.669 148 D HN 0.526 nan 8.370 nan 0.000 0.561 149 D N 2.147 122.581 120.400 0.057 0.000 2.392 149 D HA -0.109 4.530 4.640 -0.001 0.000 0.228 149 D C 0.873 177.183 176.300 0.018 0.000 1.003 149 D CA 0.615 54.636 54.000 0.036 0.000 0.917 149 D CB 0.341 41.152 40.800 0.018 0.000 0.890 149 D HN 0.323 nan 8.370 nan 0.000 0.532 150 E N -0.408 119.803 120.200 0.017 0.000 2.340 150 E HA 0.040 4.390 4.350 -0.001 0.000 0.194 150 E C 0.289 176.871 176.600 -0.029 0.000 0.996 150 E CA -0.095 56.306 56.400 0.001 0.000 0.869 150 E CB -0.293 29.414 29.700 0.012 0.000 0.835 150 E HN 0.284 nan 8.360 nan 0.000 0.493 151 C N 2.116 121.383 119.300 -0.054 0.000 2.648 151 C HA 0.052 4.512 4.460 -0.001 0.000 0.415 151 C C 1.532 176.381 174.990 -0.235 0.000 1.366 151 C CA 0.065 58.971 59.018 -0.188 0.000 1.756 151 C CB -0.406 27.125 27.740 -0.349 0.000 2.549 151 C HN 0.345 nan 8.230 nan 0.000 0.597 152 E N 2.418 122.493 120.200 -0.208 0.000 2.460 152 E HA 0.237 4.586 4.350 -0.001 0.000 0.200 152 E C -0.492 176.007 176.600 -0.168 0.000 1.011 152 E CA 0.082 56.394 56.400 -0.145 0.000 0.912 152 E CB 0.470 30.124 29.700 -0.077 0.000 0.953 152 E HN 0.557 nan 8.360 nan 0.000 0.494 153 L N -0.097 120.958 121.223 -0.280 0.000 2.591 153 L HA 0.319 4.659 4.340 -0.001 0.000 0.257 153 L C -2.125 174.578 176.870 -0.279 0.000 0.935 153 L CA -0.688 54.038 54.840 -0.190 0.000 0.873 153 L CB 1.256 43.272 42.059 -0.071 0.000 1.397 153 L HN -0.192 nan 8.230 nan 0.000 0.414 154 Y N 3.496 123.847 120.300 0.086 0.000 2.393 154 Y HA 0.733 5.283 4.550 -0.001 0.000 0.341 154 Y C -0.394 175.530 175.900 0.040 0.000 0.988 154 Y CA -0.883 57.274 58.100 0.095 0.000 1.078 154 Y CB 2.252 40.840 38.460 0.213 0.000 1.203 154 Y HN 0.281 nan 8.280 nan 0.000 0.453 155 V N 5.635 125.643 119.914 0.157 0.000 2.376 155 V HA 0.421 4.541 4.120 -0.001 0.000 0.287 155 V C -0.542 175.563 176.094 0.019 0.000 1.015 155 V CA -0.797 61.540 62.300 0.062 0.000 0.834 155 V CB 1.007 32.843 31.823 0.021 0.000 1.001 155 V HN 0.575 nan 8.190 nan 0.000 0.428 156 L N 3.950 125.163 121.223 -0.016 0.000 2.322 156 L HA 0.623 4.962 4.340 -0.001 0.000 0.281 156 L C 0.102 176.928 176.870 -0.073 0.000 1.014 156 L CA -0.440 54.351 54.840 -0.082 0.000 0.815 156 L CB 2.179 44.147 42.059 -0.150 0.000 1.247 156 L HN 0.616 nan 8.230 nan 0.000 0.421 157 E N 4.266 124.419 120.200 -0.078 0.000 2.174 157 E HA 0.548 4.897 4.350 -0.001 0.000 0.282 157 E C -1.535 175.015 176.600 -0.083 0.000 0.992 157 E CA -0.521 55.837 56.400 -0.069 0.000 0.803 157 E CB 1.161 30.829 29.700 -0.054 0.000 1.090 157 E HN 0.494 nan 8.360 nan 0.000 0.396 158 L N 3.208 124.380 121.223 -0.085 0.000 2.362 158 L HA 0.376 4.715 4.340 -0.001 0.000 0.271 158 L C 0.087 176.898 176.870 -0.099 0.000 1.002 158 L CA -0.924 53.862 54.840 -0.090 0.000 0.818 158 L CB 2.053 44.057 42.059 -0.092 0.000 1.298 158 L HN 0.575 nan 8.230 nan 0.000 0.420 159 S N -0.537 115.105 115.700 -0.097 0.000 2.672 159 S HA 0.231 4.701 4.470 -0.001 0.000 0.276 159 S C 1.100 175.606 174.600 -0.156 0.000 1.207 159 S CA -0.107 57.998 58.200 -0.158 0.000 1.002 159 S CB 1.659 64.742 63.200 -0.196 0.000 0.998 159 S HN 0.732 nan 8.310 nan 0.000 0.542 160 S N 0.901 116.455 115.700 -0.244 0.000 2.383 160 S HA -0.147 4.322 4.470 -0.001 0.000 0.229 160 S C 1.424 176.078 174.600 0.090 0.000 1.030 160 S CA 0.972 59.083 58.200 -0.149 0.000 1.002 160 S CB -1.019 62.041 63.200 -0.233 0.000 0.829 160 S HN 0.641 nan 8.310 nan 0.000 0.467 161 F N 2.399 122.396 119.950 0.078 0.000 2.095 161 F HA -0.020 4.506 4.527 -0.001 0.000 0.298 161 F C 2.890 178.693 175.800 0.006 0.000 1.104 161 F CA 0.876 58.901 58.000 0.040 0.000 1.232 161 F CB -1.430 37.554 39.000 -0.026 0.000 0.987 161 F HN 0.283 nan 8.300 nan 0.000 0.475 162 Q N -0.082 119.819 119.800 0.169 0.000 2.124 162 Q HA -0.139 4.200 4.340 -0.001 0.000 0.202 162 Q C 2.369 178.394 176.000 0.042 0.000 0.977 162 Q CA 1.154 56.999 55.803 0.069 0.000 0.850 162 Q CB -0.383 28.361 28.738 0.011 0.000 0.901 162 Q HN 0.417 nan 8.270 nan 0.000 0.429 163 L N 0.644 121.883 121.223 0.027 0.000 2.083 163 L HA -0.198 4.141 4.340 -0.001 0.000 0.209 163 L C 2.105 178.997 176.870 0.037 0.000 1.083 163 L CA 1.151 55.993 54.840 0.003 0.000 0.752 163 L CB -0.295 41.735 42.059 -0.048 0.000 0.899 163 L HN 0.259 nan 8.230 nan 0.000 0.433 164 E N -0.580 119.672 120.200 0.087 0.000 2.209 164 E HA -0.203 4.146 4.350 -0.001 0.000 0.196 164 E C 1.631 178.274 176.600 0.072 0.000 0.993 164 E CA 1.733 58.193 56.400 0.100 0.000 0.819 164 E CB -0.045 29.750 29.700 0.157 0.000 0.745 164 E HN 0.567 nan 8.360 nan 0.000 0.477 165 T N -2.155 112.436 114.554 0.061 0.000 3.105 165 T HA 0.107 4.456 4.350 -0.001 0.000 0.253 165 T C 0.437 175.160 174.700 0.038 0.000 1.047 165 T CA -0.362 61.766 62.100 0.046 0.000 0.944 165 T CB 0.465 69.356 68.868 0.037 0.000 1.016 165 T HN -0.204 nan 8.240 nan 0.000 0.544 166 T N 2.049 116.623 114.554 0.034 0.000 2.794 166 T HA 0.519 4.869 4.350 -0.001 0.000 0.280 166 T C 0.867 175.586 174.700 0.032 0.000 0.987 166 T CA -0.492 61.626 62.100 0.029 0.000 0.993 166 T CB 1.694 70.572 68.868 0.018 0.000 0.939 166 T HN 0.345 nan 8.240 nan 0.000 0.449 167 S N 0.482 116.204 115.700 0.037 0.000 2.628 167 S HA 0.112 4.582 4.470 -0.001 0.000 0.246 167 S C 1.243 175.865 174.600 0.037 0.000 1.062 167 S CA -0.454 57.769 58.200 0.037 0.000 1.028 167 S CB 0.306 63.530 63.200 0.040 0.000 0.985 167 S HN 0.400 nan 8.310 nan 0.000 0.551 168 S N 1.857 117.580 115.700 0.039 0.000 2.572 168 S HA 0.398 4.868 4.470 -0.001 0.000 0.228 168 S C -0.040 174.585 174.600 0.040 0.000 0.963 168 S CA -0.486 57.737 58.200 0.038 0.000 0.939 168 S CB -0.067 63.156 63.200 0.037 0.000 0.804 168 S HN 0.508 nan 8.310 nan 0.000 0.480 169 L N 3.015 124.264 121.223 0.043 0.000 2.410 169 L HA 0.230 4.570 4.340 -0.001 0.000 0.273 169 L C -0.029 176.871 176.870 0.049 0.000 1.144 169 L CA 0.931 55.801 54.840 0.050 0.000 0.863 169 L CB 0.318 42.401 42.059 0.039 0.000 1.140 169 L HN 0.112 nan 8.230 nan 0.000 0.463 170 Q N 5.622 125.456 119.800 0.056 0.000 3.075 170 Q HA 0.454 4.794 4.340 -0.001 0.000 0.318 170 Q C -0.276 175.763 176.000 0.064 0.000 0.907 170 Q CA -0.564 55.272 55.803 0.055 0.000 0.882 170 Q CB 1.111 29.877 28.738 0.046 0.000 1.386 170 Q HN 0.880 nan 8.270 nan 0.000 0.408 171 A N 0.552 123.413 122.820 0.069 0.000 2.531 171 A HA 0.042 4.362 4.320 -0.001 0.000 0.236 171 A C 1.218 178.843 177.584 0.068 0.000 1.062 171 A CA 0.010 52.091 52.037 0.073 0.000 0.760 171 A CB 0.597 19.639 19.000 0.069 0.000 0.995 171 A HN 0.508 nan 8.150 nan 0.000 0.501 172 V N 1.736 121.690 119.914 0.066 0.000 2.667 172 V HA 0.323 4.442 4.120 -0.001 0.000 0.252 172 V C 0.980 177.104 176.094 0.050 0.000 1.065 172 V CA 2.221 64.553 62.300 0.054 0.000 1.083 172 V CB -0.519 31.334 31.823 0.049 0.000 0.692 172 V HN 1.536 nan 8.190 nan 0.000 0.468 173 A N -0.849 122.002 122.820 0.053 0.000 2.488 173 A HA 0.878 5.198 4.320 -0.001 0.000 0.295 173 A C -0.699 176.924 177.584 0.066 0.000 1.045 173 A CA 0.083 52.150 52.037 0.051 0.000 0.703 173 A CB 1.529 20.543 19.000 0.023 0.000 1.271 173 A HN 1.111 nan 8.150 nan 0.000 0.400 174 A N 0.811 123.699 122.820 0.113 0.000 2.498 174 A HA 0.994 5.313 4.320 -0.001 0.000 0.298 174 A C -0.392 177.334 177.584 0.237 0.000 1.075 174 A CA -0.154 51.964 52.037 0.135 0.000 0.714 174 A CB 1.849 20.942 19.000 0.156 0.000 1.299 174 A HN 1.872 nan 8.150 nan 0.000 0.407 175 T N 0.529 115.167 114.554 0.139 0.000 2.894 175 T HA 0.603 4.952 4.350 -0.001 0.000 0.309 175 T C -1.682 173.039 174.700 0.034 0.000 1.208 175 T CA -0.320 61.907 62.100 0.212 0.000 1.016 175 T CB 0.687 69.638 68.868 0.139 0.000 1.192 175 T HN 0.538 nan 8.240 nan 0.000 0.491 176 I N 5.674 126.309 120.570 0.109 0.000 2.405 176 I HA 0.284 4.453 4.170 -0.001 0.000 0.280 176 I C 1.256 177.461 176.117 0.147 0.000 1.027 176 I CA -0.607 60.693 61.300 0.000 0.000 1.161 176 I CB 1.515 39.484 38.000 -0.052 0.000 1.300 176 I HN 0.639 nan 8.210 nan 0.000 0.463 177 L N 5.429 126.733 121.223 0.135 0.000 2.131 177 L HA -0.142 4.198 4.340 -0.001 0.000 0.210 177 L C 0.182 177.192 176.870 0.234 0.000 1.092 177 L CA 1.209 56.205 54.840 0.261 0.000 0.759 177 L CB -0.530 41.618 42.059 0.149 0.000 0.903 177 L HN 0.806 nan 8.230 nan 0.000 0.435 178 N N -3.822 114.951 118.700 0.120 0.000 3.322 178 N HA 0.279 5.018 4.740 -0.001 0.000 0.233 178 N C -1.349 174.196 175.510 0.058 0.000 1.399 178 N CA -0.750 52.352 53.050 0.087 0.000 0.894 178 N CB 1.513 40.057 38.487 0.094 0.000 1.440 178 N HN -0.323 nan 8.380 nan 0.000 0.503 179 V N 0.384 120.336 119.914 0.064 0.000 2.305 179 V HA 0.684 4.803 4.120 -0.001 0.000 0.275 179 V C -0.506 175.674 176.094 0.143 0.000 1.020 179 V CA -0.263 62.095 62.300 0.098 0.000 0.811 179 V CB 0.583 32.444 31.823 0.064 0.000 1.031 179 V HN 0.944 nan 8.190 nan 0.000 0.439 180 T N 0.800 115.460 114.554 0.176 0.000 2.840 180 T HA 0.530 4.879 4.350 -0.001 0.000 0.287 180 T C -0.358 174.357 174.700 0.025 0.000 0.991 180 T CA -0.779 61.372 62.100 0.085 0.000 0.964 180 T CB 1.348 70.241 68.868 0.043 0.000 0.954 180 T HN 0.572 nan 8.240 nan 0.000 0.438 181 E N 3.243 123.354 120.200 -0.148 0.000 2.480 181 E HA 0.317 4.667 4.350 -0.001 0.000 0.258 181 E C -0.443 175.942 176.600 -0.358 0.000 0.984 181 E CA 0.305 56.410 56.400 -0.492 0.000 0.930 181 E CB 0.234 29.726 29.700 -0.347 0.000 0.936 181 E HN 0.873 nan 8.360 nan 0.000 0.466 182 D N 0.138 120.263 120.400 -0.457 0.000 2.623 182 D HA 0.183 4.822 4.640 -0.001 0.000 0.241 182 D C -0.388 175.884 176.300 -0.047 0.000 1.241 182 D CA -0.733 53.137 54.000 -0.217 0.000 0.788 182 D CB 0.628 41.339 40.800 -0.149 0.000 1.413 182 D HN 0.442 nan 8.370 nan 0.000 0.429 183 H N 0.336 119.439 119.070 0.055 0.000 2.820 183 H HA -0.125 4.431 4.556 -0.001 0.000 0.295 183 H C 0.674 176.136 175.328 0.222 0.000 1.187 183 H CA 0.772 56.941 56.048 0.201 0.000 1.144 183 H CB -0.794 29.200 29.762 0.386 0.000 1.354 183 H HN 0.463 nan 8.280 nan 0.000 0.395 184 M N 0.492 120.180 119.600 0.146 0.000 2.539 184 M HA -0.096 4.384 4.480 -0.001 0.000 0.261 184 M C 2.041 178.395 176.300 0.091 0.000 1.069 184 M CA 1.476 56.847 55.300 0.118 0.000 1.081 184 M CB -0.566 32.028 32.600 -0.009 0.000 1.412 184 M HN 0.436 nan 8.290 nan 0.000 0.482 185 D N -0.543 119.900 120.400 0.071 0.000 2.219 185 D HA -0.181 4.458 4.640 -0.001 0.000 0.205 185 D C 1.621 177.877 176.300 -0.072 0.000 0.970 185 D CA 0.775 54.773 54.000 -0.003 0.000 0.851 185 D CB -0.383 40.422 40.800 0.009 0.000 0.943 185 D HN 0.262 nan 8.370 nan 0.000 0.488 186 R N -0.541 119.917 120.500 -0.069 0.000 2.297 186 R HA 0.036 4.375 4.340 -0.001 0.000 0.197 186 R C -0.037 175.850 176.300 -0.688 0.000 0.943 186 R CA 0.151 56.036 56.100 -0.359 0.000 1.038 186 R CB -0.010 30.087 30.300 -0.338 0.000 0.957 186 R HN 0.327 nan 8.270 nan 0.000 0.484 187 Y N 0.281 120.620 120.300 0.066 0.000 2.490 187 Y HA 0.263 4.813 4.550 -0.001 0.000 0.346 187 Y C -1.613 174.250 175.900 -0.061 0.000 1.023 187 Y CA -2.322 55.810 58.100 0.053 0.000 1.142 187 Y CB 1.280 39.855 38.460 0.193 0.000 1.126 187 Y HN -0.058 nan 8.280 nan 0.000 0.647 188 P HA -0.131 nan 4.420 nan 0.000 0.226 188 P C 0.789 177.959 177.300 -0.217 0.000 1.153 188 P CA 1.356 64.287 63.100 -0.282 0.000 0.777 188 P CB 0.063 31.468 31.700 -0.492 0.000 0.794 189 F N 0.015 120.033 119.950 0.114 0.000 2.732 189 F HA 0.371 4.898 4.527 -0.001 0.000 0.303 189 F C 1.578 177.437 175.800 0.098 0.000 1.110 189 F CA 0.232 58.289 58.000 0.094 0.000 1.355 189 F CB 0.083 39.139 39.000 0.092 0.000 1.081 189 F HN 0.052 nan 8.300 nan 0.000 0.565 190 G N 0.433 109.375 108.800 0.238 0.000 2.462 190 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.685 190 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.685 190 G C -0.093 174.910 174.900 0.171 0.000 1.295 190 G CA -0.512 44.692 45.100 0.173 0.000 0.941 190 G HN 0.041 nan 8.290 nan 0.000 0.554 191 L N 0.446 121.741 121.223 0.120 0.000 2.079 191 L HA -0.059 4.280 4.340 -0.001 0.000 0.210 191 L C 2.921 179.880 176.870 0.148 0.000 1.081 191 L CA 3.422 58.342 54.840 0.133 0.000 0.752 191 L CB -0.686 41.427 42.059 0.089 0.000 0.896 191 L HN 0.969 nan 8.230 nan 0.000 0.433 192 Q N -0.756 119.116 119.800 0.121 0.000 2.124 192 Q HA -0.279 4.060 4.340 -0.001 0.000 0.202 192 Q C 2.243 178.308 176.000 0.108 0.000 0.977 192 Q CA 2.197 58.058 55.803 0.097 0.000 0.850 192 Q CB -0.582 28.207 28.738 0.085 0.000 0.901 192 Q HN 0.738 nan 8.270 nan 0.000 0.429 193 Q N -1.101 118.803 119.800 0.174 0.000 2.119 193 Q HA -0.214 4.125 4.340 -0.001 0.000 0.201 193 Q C 1.828 177.908 176.000 0.133 0.000 0.972 193 Q CA 1.325 57.262 55.803 0.224 0.000 0.847 193 Q CB -0.258 28.705 28.738 0.375 0.000 0.903 193 Q HN 0.637 nan 8.270 nan 0.000 0.433 194 Y N 1.024 121.258 120.300 -0.109 0.000 2.200 194 Y HA -0.158 4.392 4.550 -0.001 0.000 0.290 194 Y C 2.377 178.083 175.900 -0.323 0.000 1.137 194 Y CA 1.908 59.709 58.100 -0.497 0.000 1.163 194 Y CB -0.178 38.059 38.460 -0.372 0.000 0.988 194 Y HN 0.011 nan 8.280 nan 0.000 0.518 195 R N 0.209 120.614 120.500 -0.158 0.000 2.081 195 R HA -0.151 4.188 4.340 -0.001 0.000 0.235 195 R C 2.335 178.527 176.300 -0.179 0.000 1.131 195 R CA 1.251 57.235 56.100 -0.192 0.000 0.960 195 R CB -0.564 29.716 30.300 -0.032 0.000 0.856 195 R HN 0.430 nan 8.270 nan 0.000 0.436 196 A N 0.700 123.468 122.820 -0.088 0.000 1.978 196 A HA -0.153 4.167 4.320 -0.001 0.000 0.220 196 A C 2.299 179.838 177.584 -0.075 0.000 1.170 196 A CA 1.765 53.777 52.037 -0.041 0.000 0.636 196 A CB -0.641 18.376 19.000 0.028 0.000 0.810 196 A HN 0.557 nan 8.150 nan 0.000 0.448 197 A N -0.356 122.380 122.820 -0.140 0.000 1.873 197 A HA -0.108 4.211 4.320 -0.001 0.000 0.215 197 A C 2.101 179.570 177.584 -0.193 0.000 1.186 197 A CA 1.679 53.647 52.037 -0.115 0.000 0.616 197 A CB -0.325 18.610 19.000 -0.108 0.000 0.823 197 A HN 0.336 nan 8.150 nan 0.000 0.442 198 K N 0.016 120.217 120.400 -0.332 0.000 2.057 198 K HA 0.004 4.323 4.320 -0.001 0.000 0.206 198 K C 1.814 178.233 176.600 -0.301 0.000 1.050 198 K CA 0.981 57.068 56.287 -0.333 0.000 0.935 198 K CB -0.748 31.513 32.500 -0.399 0.000 0.715 198 K HN 0.540 nan 8.250 nan 0.000 0.439 199 L N 0.743 121.835 121.223 -0.218 0.000 2.261 199 L HA -0.140 4.199 4.340 -0.001 0.000 0.216 199 L C 2.350 179.146 176.870 -0.123 0.000 1.114 199 L CA 0.912 55.665 54.840 -0.146 0.000 0.777 199 L CB -0.327 41.728 42.059 -0.006 0.000 0.910 199 L HN 0.150 nan 8.230 nan 0.000 0.440 200 R N -0.114 120.320 120.500 -0.110 0.000 2.200 200 R HA -0.159 4.180 4.340 -0.001 0.000 0.234 200 R C 2.228 178.477 176.300 -0.085 0.000 1.127 200 R CA 1.128 57.193 56.100 -0.057 0.000 0.989 200 R CB -0.405 29.874 30.300 -0.036 0.000 0.869 200 R HN 0.383 nan 8.270 nan 0.000 0.459 201 I N 0.208 120.654 120.570 -0.207 0.000 2.567 201 I HA -0.265 3.904 4.170 -0.001 0.000 0.257 201 I C 0.931 176.972 176.117 -0.128 0.000 1.184 201 I CA 1.209 62.379 61.300 -0.217 0.000 1.451 201 I CB 0.144 37.942 38.000 -0.338 0.000 1.089 201 I HN 0.131 nan 8.210 nan 0.000 0.441 202 Y N 0.463 120.760 120.300 -0.004 0.000 2.523 202 Y HA 0.100 4.649 4.550 -0.001 0.000 0.279 202 Y C 0.982 176.887 175.900 0.008 0.000 1.139 202 Y CA -0.361 57.741 58.100 0.003 0.000 1.296 202 Y CB -0.687 37.773 38.460 0.001 0.000 1.045 202 Y HN 0.113 nan 8.280 nan 0.000 0.538 203 E N 1.861 122.141 120.200 0.134 0.000 2.493 203 E HA -0.036 4.313 4.350 -0.001 0.000 0.255 203 E C 0.422 177.069 176.600 0.078 0.000 0.999 203 E CA 0.410 56.864 56.400 0.089 0.000 0.934 203 E CB -0.349 29.385 29.700 0.056 0.000 0.940 203 E HN 0.200 nan 8.360 nan 0.000 0.473 204 N N 1.518 120.260 118.700 0.070 0.000 2.741 204 N HA -0.240 4.499 4.740 -0.001 0.000 0.251 204 N C -0.974 174.575 175.510 0.064 0.000 1.112 204 N CA 1.092 54.177 53.050 0.057 0.000 0.750 204 N CB -1.657 36.859 38.487 0.047 0.000 1.119 204 N HN 0.515 nan 8.380 nan 0.000 0.561 205 A N 0.455 123.328 122.820 0.087 0.000 2.388 205 A HA 0.246 4.565 4.320 -0.001 0.000 0.257 205 A C 1.394 179.017 177.584 0.064 0.000 1.095 205 A CA -0.021 52.071 52.037 0.092 0.000 0.791 205 A CB 0.786 19.879 19.000 0.154 0.000 1.029 205 A HN 0.239 nan 8.150 nan 0.000 0.489 206 K N 1.054 121.486 120.400 0.054 0.000 2.057 206 K HA 0.057 4.376 4.320 -0.001 0.000 0.206 206 K C -0.205 176.413 176.600 0.030 0.000 1.050 206 K CA 1.321 57.630 56.287 0.038 0.000 0.935 206 K CB 0.005 32.527 32.500 0.037 0.000 0.715 206 K HN 0.524 nan 8.250 nan 0.000 0.439 207 V N 0.713 120.649 119.914 0.037 0.000 2.686 207 V HA 0.202 4.322 4.120 -0.001 0.000 0.306 207 V C -1.018 175.093 176.094 0.029 0.000 1.065 207 V CA -1.008 61.305 62.300 0.022 0.000 0.894 207 V CB 1.756 33.594 31.823 0.026 0.000 1.004 207 V HN 0.160 nan 8.190 nan 0.000 0.424 208 C N 4.603 123.884 119.300 -0.031 0.000 2.251 208 C HA 0.552 5.011 4.460 -0.001 0.000 0.323 208 C C 0.376 175.337 174.990 -0.049 0.000 1.241 208 C CA -0.848 58.116 59.018 -0.091 0.000 1.601 208 C CB 0.579 28.017 27.740 -0.504 0.000 2.251 208 C HN 0.620 nan 8.230 nan 0.000 0.488 209 V N 5.642 125.609 119.914 0.087 0.000 2.389 209 V HA 0.356 4.475 4.120 -0.001 0.000 0.264 209 V C 0.393 176.626 176.094 0.232 0.000 1.049 209 V CA 0.058 62.432 62.300 0.123 0.000 0.932 209 V CB 0.714 32.585 31.823 0.081 0.000 1.011 209 V HN 0.766 nan 8.190 nan 0.000 0.475 210 V N 2.486 122.491 119.914 0.152 0.000 2.850 210 V HA 0.628 4.747 4.120 -0.001 0.000 0.315 210 V C 0.083 176.083 176.094 -0.157 0.000 1.064 210 V CA -1.044 61.305 62.300 0.081 0.000 0.979 210 V CB 2.028 33.823 31.823 -0.047 0.000 1.039 210 V HN 0.686 nan 8.190 nan 0.000 0.452 211 N N 1.838 120.352 118.700 -0.310 0.000 2.437 211 N HA 0.352 5.092 4.740 -0.001 0.000 0.243 211 N C 0.973 176.219 175.510 -0.440 0.000 1.041 211 N CA 0.388 52.951 53.050 -0.811 0.000 0.940 211 N CB 1.605 39.837 38.487 -0.425 0.000 1.133 211 N HN 0.993 nan 8.380 nan 0.000 0.506 212 A N 3.388 125.947 122.820 -0.434 0.000 2.024 212 A HA -0.136 4.183 4.320 -0.001 0.000 0.220 212 A C 1.179 178.676 177.584 -0.144 0.000 1.164 212 A CA 1.287 53.206 52.037 -0.198 0.000 0.643 212 A CB -0.004 18.924 19.000 -0.120 0.000 0.806 212 A HN 0.689 nan 8.150 nan 0.000 0.451 213 D N -0.510 119.789 120.400 -0.169 0.000 2.340 213 D HA 0.049 4.689 4.640 -0.001 0.000 0.220 213 D C -0.352 175.910 176.300 -0.065 0.000 1.039 213 D CA 0.414 54.362 54.000 -0.088 0.000 0.866 213 D CB 0.291 41.058 40.800 -0.054 0.000 0.913 213 D HN 0.353 nan 8.370 nan 0.000 0.523 214 D N 0.070 120.421 120.400 -0.083 0.000 2.346 214 D HA 0.273 4.912 4.640 -0.001 0.000 0.255 214 D C 0.911 177.192 176.300 -0.031 0.000 1.276 214 D CA -0.559 53.419 54.000 -0.038 0.000 0.941 214 D CB 1.066 41.854 40.800 -0.019 0.000 1.199 214 D HN -0.120 nan 8.370 nan 0.000 0.537 215 A N 3.550 126.358 122.820 -0.020 0.000 2.032 215 A HA -0.135 4.184 4.320 -0.001 0.000 0.221 215 A C 2.065 179.652 177.584 0.006 0.000 1.165 215 A CA 0.969 52.999 52.037 -0.012 0.000 0.645 215 A CB -0.316 18.680 19.000 -0.007 0.000 0.807 215 A HN 0.679 nan 8.150 nan 0.000 0.453 216 L N -0.141 121.091 121.223 0.016 0.000 2.376 216 L HA -0.085 4.255 4.340 -0.001 0.000 0.219 216 L C 2.533 179.432 176.870 0.047 0.000 1.133 216 L CA 1.412 56.270 54.840 0.030 0.000 0.816 216 L CB -0.630 41.449 42.059 0.034 0.000 0.933 216 L HN 0.626 nan 8.230 nan 0.000 0.449 217 T N -3.585 111.001 114.554 0.054 0.000 3.148 217 T HA 0.092 4.442 4.350 -0.001 0.000 0.253 217 T C 0.877 175.677 174.700 0.167 0.000 1.134 217 T CA -0.065 62.106 62.100 0.119 0.000 1.051 217 T CB -0.052 68.878 68.868 0.104 0.000 0.959 217 T HN -0.068 nan 8.240 nan 0.000 0.525 218 M N 3.234 122.876 119.600 0.069 0.000 2.211 218 M HA 0.374 4.854 4.480 -0.001 0.000 0.356 218 M C -2.437 173.889 176.300 0.043 0.000 1.216 218 M CA -3.133 52.170 55.300 0.004 0.000 1.134 218 M CB 0.393 32.982 32.600 -0.018 0.000 1.564 218 M HN -0.020 nan 8.290 nan 0.000 0.463 219 P HA 0.156 nan 4.420 nan 0.000 0.269 219 P C -0.176 177.145 177.300 0.035 0.000 1.215 219 P CA -0.393 62.745 63.100 0.063 0.000 0.780 219 P CB 0.529 32.216 31.700 -0.021 0.000 0.898 220 I N 2.108 122.710 120.570 0.053 0.000 2.948 220 I HA -0.058 4.111 4.170 -0.001 0.000 0.290 220 I C 1.607 177.735 176.117 0.018 0.000 1.226 220 I CA 0.559 61.878 61.300 0.032 0.000 1.413 220 I CB -1.002 37.019 38.000 0.035 0.000 1.352 220 I HN 0.666 nan 8.210 nan 0.000 0.597 221 R N 2.090 122.597 120.500 0.011 0.000 3.493 221 R HA -0.107 4.232 4.340 -0.001 0.000 0.297 221 R C 0.680 176.977 176.300 -0.005 0.000 1.145 221 R CA 0.406 56.509 56.100 0.004 0.000 0.792 221 R CB -2.002 28.301 30.300 0.006 0.000 1.368 221 R HN 1.254 nan 8.270 nan 0.000 0.454 222 G N -0.298 108.498 108.800 -0.007 0.000 2.907 222 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.242 222 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.242 222 G C 0.028 174.909 174.900 -0.032 0.000 1.448 222 G CA -0.130 44.960 45.100 -0.016 0.000 0.911 222 G HN 0.868 nan 8.290 nan 0.000 0.553 223 A N 0.550 123.346 122.820 -0.039 0.000 2.363 223 A HA 0.638 4.958 4.320 -0.001 0.000 0.270 223 A C 0.523 178.079 177.584 -0.046 0.000 1.121 223 A CA 0.789 52.791 52.037 -0.058 0.000 0.800 223 A CB 0.386 19.354 19.000 -0.054 0.000 1.052 223 A HN 1.394 nan 8.150 nan 0.000 0.493 224 D N 0.743 121.109 120.400 -0.057 0.000 2.595 224 D HA 0.345 4.984 4.640 -0.001 0.000 0.268 224 D C 0.378 176.659 176.300 -0.033 0.000 1.181 224 D CA -0.461 53.516 54.000 -0.038 0.000 1.085 224 D CB 0.174 40.953 40.800 -0.035 0.000 1.186 224 D HN 0.477 nan 8.370 nan 0.000 0.621 225 E N -1.214 118.974 120.200 -0.021 0.000 2.472 225 E HA -0.042 4.307 4.350 -0.001 0.000 0.200 225 E C 1.554 178.146 176.600 -0.012 0.000 1.046 225 E CA 0.489 56.882 56.400 -0.011 0.000 0.871 225 E CB -0.078 29.619 29.700 -0.005 0.000 0.806 225 E HN 0.284 nan 8.360 nan 0.000 0.533 226 R N -0.098 120.385 120.500 -0.027 0.000 2.210 226 R HA 0.129 4.468 4.340 -0.001 0.000 0.203 226 R C 0.414 176.688 176.300 -0.043 0.000 1.010 226 R CA 0.048 56.131 56.100 -0.028 0.000 1.008 226 R CB 0.134 30.411 30.300 -0.038 0.000 0.923 226 R HN 0.069 nan 8.270 nan 0.000 0.469 227 C N 2.018 121.280 119.300 -0.064 0.000 2.576 227 C HA 0.376 4.835 4.460 -0.001 0.000 0.401 227 C C 0.487 175.471 174.990 -0.011 0.000 1.314 227 C CA -0.733 58.241 59.018 -0.075 0.000 1.855 227 C CB 0.423 28.095 27.740 -0.114 0.000 2.537 227 C HN 0.061 nan 8.230 nan 0.000 0.578 228 V N 4.056 123.980 119.914 0.018 0.000 2.680 228 V HA 0.719 4.838 4.120 -0.001 0.000 0.309 228 V C 0.061 176.217 176.094 0.104 0.000 1.052 228 V CA -0.189 62.165 62.300 0.090 0.000 0.908 228 V CB 2.257 34.153 31.823 0.121 0.000 1.001 228 V HN 1.010 nan 8.190 nan 0.000 0.431 229 S N 3.570 119.364 115.700 0.156 0.000 2.600 229 S HA 0.921 5.391 4.470 -0.001 0.000 0.300 229 S C -0.920 173.840 174.600 0.268 0.000 1.087 229 S CA -0.661 57.617 58.200 0.131 0.000 0.965 229 S CB 2.120 65.329 63.200 0.015 0.000 1.089 229 S HN 0.819 nan 8.310 nan 0.000 0.496 230 F N -1.190 118.823 119.950 0.104 0.000 2.577 230 F HA 1.022 5.548 4.527 -0.001 0.000 0.318 230 F C 0.063 175.945 175.800 0.138 0.000 1.065 230 F CA -0.480 57.608 58.000 0.147 0.000 0.929 230 F CB 1.428 40.466 39.000 0.064 0.000 1.237 230 F HN 1.035 nan 8.300 nan 0.000 0.468 231 G N 0.744 109.679 108.800 0.225 0.000 2.495 231 G HA2 0.420 4.380 3.960 -0.001 0.000 0.294 231 G HA3 0.420 4.380 3.960 -0.001 0.000 0.294 231 G C -0.808 174.223 174.900 0.218 0.000 1.397 231 G CA -0.295 44.864 45.100 0.098 0.000 0.790 231 G HN 0.710 nan 8.290 nan 0.000 0.486 232 V N 0.509 120.510 119.914 0.145 0.000 2.273 232 V HA -0.008 4.112 4.120 -0.001 0.000 0.242 232 V C 1.864 178.031 176.094 0.122 0.000 1.035 232 V CA 1.809 64.203 62.300 0.157 0.000 1.013 232 V CB -0.274 31.620 31.823 0.117 0.000 0.652 232 V HN 0.669 nan 8.190 nan 0.000 0.452 233 N N -1.568 117.138 118.700 0.011 0.000 2.181 233 N HA 0.273 5.013 4.740 -0.001 0.000 0.207 233 N C 0.186 175.453 175.510 -0.405 0.000 1.182 233 N CA 0.107 53.072 53.050 -0.140 0.000 0.893 233 N CB 1.306 39.742 38.487 -0.086 0.000 1.032 233 N HN 0.331 nan 8.380 nan 0.000 0.513 234 M N -0.264 119.207 119.600 -0.214 0.000 2.716 234 M HA 0.592 5.071 4.480 -0.001 0.000 0.307 234 M C -0.365 175.966 176.300 0.052 0.000 1.223 234 M CA -0.147 55.044 55.300 -0.182 0.000 0.871 234 M CB 2.218 34.765 32.600 -0.089 0.000 1.739 234 M HN 0.213 nan 8.290 nan 0.000 0.475 235 G N 1.502 110.388 108.800 0.144 0.000 2.619 235 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.686 235 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.686 235 G C -0.255 174.836 174.900 0.318 0.000 1.256 235 G CA -0.324 44.904 45.100 0.213 0.000 0.826 235 G HN 0.731 nan 8.290 nan 0.000 0.619 236 D N -0.603 119.940 120.400 0.240 0.000 2.133 236 D HA -0.096 4.544 4.640 -0.001 0.000 0.195 236 D C 0.376 176.706 176.300 0.050 0.000 0.997 236 D CA 1.903 56.008 54.000 0.176 0.000 0.840 236 D CB 0.038 41.016 40.800 0.296 0.000 0.947 236 D HN 0.334 nan 8.370 nan 0.000 0.452 237 Y N 0.443 120.795 120.300 0.088 0.000 2.345 237 Y HA 0.266 4.816 4.550 -0.001 0.000 0.331 237 Y C 0.703 176.685 175.900 0.136 0.000 0.959 237 Y CA -0.769 57.363 58.100 0.054 0.000 1.204 237 Y CB 0.817 39.351 38.460 0.123 0.000 1.135 237 Y HN 0.016 nan 8.280 nan 0.000 0.477 238 H N 1.178 120.358 119.070 0.185 0.000 2.947 238 H HA 0.716 5.271 4.556 -0.001 0.000 0.290 238 H C -1.478 173.918 175.328 0.112 0.000 1.430 238 H CA -1.150 54.991 56.048 0.155 0.000 1.189 238 H CB 1.104 30.930 29.762 0.106 0.000 1.875 238 H HN 0.503 nan 8.280 nan 0.000 0.568 247 W N 1.122 122.350 121.300 -0.119 0.000 2.936 247 W HA 0.725 5.385 4.660 -0.001 0.000 0.338 247 W C -0.944 175.508 176.519 -0.112 0.000 1.121 247 W CA -0.998 56.283 57.345 -0.108 0.000 1.209 247 W CB 1.165 30.586 29.460 -0.066 0.000 1.420 247 W HN 0.438 nan 8.180 nan 0.000 0.516 248 L N 4.489 125.795 121.223 0.139 0.000 2.261 248 L HA 0.443 4.782 4.340 -0.001 0.000 0.289 248 L C 0.327 177.210 176.870 0.021 0.000 1.059 248 L CA -0.786 54.088 54.840 0.057 0.000 0.816 248 L CB 0.029 42.113 42.059 0.042 0.000 1.191 248 L HN 0.215 nan 8.230 nan 0.000 0.431 249 R N 3.258 123.700 120.500 -0.095 0.000 2.297 249 R HA 0.534 4.874 4.340 -0.001 0.000 0.308 249 R C -0.756 175.304 176.300 -0.399 0.000 1.029 249 R CA -0.588 55.338 56.100 -0.290 0.000 0.929 249 R CB 1.873 31.833 30.300 -0.567 0.000 1.046 249 R HN 0.275 nan 8.270 nan 0.000 0.461 250 V N 3.648 123.335 119.914 -0.379 0.000 2.482 250 V HA 0.158 4.277 4.120 -0.001 0.000 0.295 250 V C 0.262 176.105 176.094 -0.419 0.000 1.026 250 V CA -0.962 60.994 62.300 -0.573 0.000 0.856 250 V CB 1.511 32.956 31.823 -0.629 0.000 1.001 250 V HN 0.757 nan 8.190 nan 0.000 0.424 251 K N 4.020 124.191 120.400 -0.382 0.000 3.096 251 K HA -0.221 4.099 4.320 -0.001 0.000 0.266 251 K C 1.094 177.607 176.600 -0.146 0.000 1.043 251 K CA 1.481 57.647 56.287 -0.202 0.000 0.758 251 K CB -1.334 31.064 32.500 -0.171 0.000 1.260 251 K HN 1.759 nan 8.250 nan 0.000 0.481 252 G N -1.360 107.347 108.800 -0.155 0.000 2.284 252 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.247 252 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.247 252 G C -0.134 174.691 174.900 -0.126 0.000 1.012 252 G CA 0.394 45.432 45.100 -0.103 0.000 0.618 252 G HN 0.399 nan 8.290 nan 0.000 0.521 253 E N 1.383 121.492 120.200 -0.151 0.000 2.151 253 E HA 0.585 4.934 4.350 -0.001 0.000 0.275 253 E C 0.365 176.876 176.600 -0.147 0.000 0.936 253 E CA -0.651 55.665 56.400 -0.141 0.000 0.777 253 E CB 0.628 30.260 29.700 -0.113 0.000 1.108 253 E HN 0.382 nan 8.360 nan 0.000 0.401 254 K N 1.714 122.019 120.400 -0.159 0.000 2.485 254 K HA 0.049 4.368 4.320 -0.001 0.000 0.277 254 K C 0.754 177.343 176.600 -0.018 0.000 0.990 254 K CA 0.426 56.646 56.287 -0.111 0.000 0.994 254 K CB 0.599 32.903 32.500 -0.327 0.000 0.906 254 K HN 0.445 nan 8.250 nan 0.000 0.488 255 V N -0.126 119.838 119.914 0.082 0.000 3.408 255 V HA 0.322 4.442 4.120 -0.001 0.000 0.263 255 V C -0.394 175.787 176.094 0.144 0.000 1.503 255 V CA -0.303 62.044 62.300 0.078 0.000 1.046 255 V CB 0.255 32.087 31.823 0.016 0.000 0.851 255 V HN 0.511 nan 8.190 nan 0.000 0.435 256 L N 1.623 122.974 121.223 0.213 0.000 2.611 256 L HA 0.582 4.922 4.340 -0.001 0.000 0.260 256 L C -1.363 175.497 176.870 -0.016 0.000 0.924 256 L CA -0.219 54.690 54.840 0.114 0.000 0.901 256 L CB 2.071 44.154 42.059 0.039 0.000 1.369 256 L HN 0.201 nan 8.230 nan 0.000 0.415 257 N N 2.925 121.424 118.700 -0.336 0.000 2.422 257 N HA 0.131 4.870 4.740 -0.001 0.000 0.264 257 N C 1.242 176.496 175.510 -0.427 0.000 1.063 257 N CA 0.293 52.855 53.050 -0.814 0.000 0.959 257 N CB 1.748 39.577 38.487 -1.097 0.000 1.087 257 N HN 0.668 nan 8.380 nan 0.000 0.483 258 V N 2.336 122.005 119.914 -0.408 0.000 3.061 258 V HA -0.199 3.920 4.120 -0.001 0.000 0.269 258 V C 1.647 177.660 176.094 -0.135 0.000 1.154 258 V CA 1.426 63.563 62.300 -0.271 0.000 1.168 258 V CB -0.700 30.812 31.823 -0.520 0.000 0.758 258 V HN 0.561 nan 8.190 nan 0.000 0.530 259 K N 0.338 120.620 120.400 -0.197 0.000 2.288 259 K HA -0.045 4.275 4.320 -0.001 0.000 0.201 259 K C 2.030 178.584 176.600 -0.076 0.000 1.048 259 K CA 1.429 57.645 56.287 -0.119 0.000 0.956 259 K CB -0.096 32.312 32.500 -0.154 0.000 0.746 259 K HN 0.653 nan 8.250 nan 0.000 0.461 260 E N 0.732 120.880 120.200 -0.087 0.000 2.358 260 E HA -0.033 4.317 4.350 -0.001 0.000 0.195 260 E C 0.642 177.240 176.600 -0.004 0.000 1.010 260 E CA 0.306 56.679 56.400 -0.045 0.000 0.856 260 E CB 0.092 29.762 29.700 -0.050 0.000 0.795 260 E HN 0.338 nan 8.360 nan 0.000 0.504 261 M N -0.706 118.905 119.600 0.018 0.000 2.342 261 M HA 0.387 4.866 4.480 -0.001 0.000 0.332 261 M C 0.304 176.636 176.300 0.054 0.000 1.166 261 M CA -0.586 54.750 55.300 0.061 0.000 1.086 261 M CB 1.434 34.100 32.600 0.110 0.000 1.541 261 M HN -0.402 nan 8.290 nan 0.000 0.462 262 K N 1.344 121.771 120.400 0.045 0.000 2.155 262 K HA 0.288 4.608 4.320 -0.001 0.000 0.203 262 K C 0.359 176.958 176.600 -0.003 0.000 1.052 262 K CA 0.853 57.146 56.287 0.010 0.000 0.948 262 K CB -0.221 32.268 32.500 -0.017 0.000 0.728 262 K HN 0.595 nan 8.250 nan 0.000 0.448 263 L N 0.596 121.824 121.223 0.008 0.000 2.421 263 L HA 0.229 4.568 4.340 -0.001 0.000 0.263 263 L C 0.458 177.281 176.870 -0.079 0.000 1.122 263 L CA -0.543 54.268 54.840 -0.047 0.000 0.804 263 L CB 1.385 43.417 42.059 -0.044 0.000 1.150 263 L HN 0.136 nan 8.230 nan 0.000 0.457 264 S N -0.363 115.196 115.700 -0.235 0.000 2.806 264 S HA 0.940 5.409 4.470 -0.001 0.000 0.306 264 S C -0.286 173.840 174.600 -0.790 0.000 1.167 264 S CA -0.299 57.657 58.200 -0.407 0.000 0.847 264 S CB 1.704 64.838 63.200 -0.111 0.000 1.216 264 S HN 1.226 nan 8.310 nan 0.000 0.532 265 G N -0.005 108.305 108.800 -0.817 0.000 2.705 265 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.686 265 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.686 265 G C 0.104 174.440 174.900 -0.940 0.000 1.285 265 G CA 0.157 44.818 45.100 -0.731 0.000 0.800 265 G HN 0.908 nan 8.290 nan 0.000 0.611 266 Q N 0.001 119.622 119.800 -0.298 0.000 2.002 266 Q HA -0.253 4.086 4.340 -0.001 0.000 0.204 266 Q C 2.591 178.553 176.000 -0.064 0.000 0.988 266 Q CA 2.514 58.328 55.803 0.018 0.000 0.843 266 Q CB -0.254 28.590 28.738 0.177 0.000 0.908 266 Q HN 0.936 nan 8.270 nan 0.000 0.420 267 H N -0.052 119.009 119.070 -0.015 0.000 2.292 267 H HA -0.169 4.386 4.556 -0.001 0.000 0.292 267 H C 1.589 176.909 175.328 -0.013 0.000 1.100 267 H CA 1.687 57.739 56.048 0.007 0.000 1.238 267 H CB -1.032 28.726 29.762 -0.006 0.000 1.355 267 H HN 0.338 nan 8.280 nan 0.000 0.484 268 N N 0.670 119.122 118.700 -0.413 0.000 2.364 268 N HA -0.113 4.627 4.740 -0.001 0.000 0.183 268 N C 1.607 177.060 175.510 -0.095 0.000 1.022 268 N CA 0.829 53.736 53.050 -0.238 0.000 0.883 268 N CB -0.225 38.035 38.487 -0.378 0.000 0.965 268 N HN 0.379 nan 8.380 nan 0.000 0.438 269 Y N 0.881 121.160 120.300 -0.035 0.000 2.269 269 Y HA -0.026 4.524 4.550 -0.001 0.000 0.294 269 Y C 2.724 178.659 175.900 0.059 0.000 1.120 269 Y CA 1.024 59.134 58.100 0.018 0.000 1.159 269 Y CB -1.116 37.359 38.460 0.025 0.000 1.024 269 Y HN 0.110 nan 8.280 nan 0.000 0.532 270 T N -2.186 112.514 114.554 0.243 0.000 2.962 270 T HA -0.107 4.242 4.350 -0.001 0.000 0.270 270 T C 1.635 176.364 174.700 0.048 0.000 1.088 270 T CA 1.277 63.517 62.100 0.233 0.000 1.127 270 T CB -0.285 68.779 68.868 0.327 0.000 0.883 270 T HN 0.132 nan 8.240 nan 0.000 0.493 271 N N 2.110 120.833 118.700 0.037 0.000 2.142 271 N HA 0.145 4.885 4.740 -0.001 0.000 0.186 271 N C 2.223 177.675 175.510 -0.096 0.000 1.023 271 N CA 1.483 54.503 53.050 -0.049 0.000 0.852 271 N CB -0.779 37.723 38.487 0.024 0.000 0.998 271 N HN 0.589 nan 8.380 nan 0.000 0.424 272 A N 0.776 123.594 122.820 -0.003 0.000 1.969 272 A HA -0.015 4.305 4.320 -0.001 0.000 0.218 272 A C 2.333 179.902 177.584 -0.024 0.000 1.169 272 A CA 0.824 52.857 52.037 -0.007 0.000 0.635 272 A CB -0.575 18.482 19.000 0.096 0.000 0.810 272 A HN 0.208 nan 8.150 nan 0.000 0.445 273 L N -0.968 120.261 121.223 0.010 0.000 2.044 273 L HA -0.130 4.210 4.340 -0.001 0.000 0.205 273 L C 3.116 179.853 176.870 -0.222 0.000 1.075 273 L CA 1.005 55.872 54.840 0.046 0.000 0.747 273 L CB -0.560 41.622 42.059 0.205 0.000 0.903 273 L HN 0.413 nan 8.230 nan 0.000 0.435 274 A N 0.107 122.618 122.820 -0.515 0.000 1.902 274 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 274 A C 2.518 179.815 177.584 -0.478 0.000 1.181 274 A CA 1.783 53.294 52.037 -0.877 0.000 0.623 274 A CB -0.726 17.468 19.000 -1.344 0.000 0.818 274 A HN 0.406 nan 8.150 nan 0.000 0.443 275 A N -0.609 122.010 122.820 -0.334 0.000 1.902 275 A HA -0.047 4.272 4.320 -0.001 0.000 0.217 275 A C 2.137 179.604 177.584 -0.195 0.000 1.181 275 A CA 1.776 53.667 52.037 -0.242 0.000 0.623 275 A CB -0.612 18.250 19.000 -0.229 0.000 0.818 275 A HN 0.640 nan 8.150 nan 0.000 0.443 276 L N -0.272 120.856 121.223 -0.158 0.000 2.056 276 L HA -0.025 4.314 4.340 -0.001 0.000 0.207 276 L C 2.704 179.481 176.870 -0.155 0.000 1.078 276 L CA 2.095 56.898 54.840 -0.061 0.000 0.749 276 L CB -0.842 41.279 42.059 0.103 0.000 0.901 276 L HN 0.349 nan 8.230 nan 0.000 0.433 277 A N -0.614 121.879 122.820 -0.546 0.000 1.940 277 A HA -0.190 4.129 4.320 -0.001 0.000 0.219 277 A C 2.251 179.657 177.584 -0.296 0.000 1.176 277 A CA 2.100 53.641 52.037 -0.827 0.000 0.631 277 A CB -0.847 17.485 19.000 -1.114 0.000 0.814 277 A HN 0.510 nan 8.150 nan 0.000 0.446 278 L N -1.064 120.024 121.223 -0.226 0.000 2.044 278 L HA -0.125 4.215 4.340 -0.001 0.000 0.205 278 L C 3.096 179.924 176.870 -0.069 0.000 1.075 278 L CA 1.024 55.793 54.840 -0.118 0.000 0.747 278 L CB -0.568 41.421 42.059 -0.116 0.000 0.903 278 L HN 0.405 nan 8.230 nan 0.000 0.435 279 A N -0.256 122.521 122.820 -0.072 0.000 1.933 279 A HA -0.218 4.102 4.320 -0.001 0.000 0.218 279 A C 1.924 179.506 177.584 -0.003 0.000 1.175 279 A CA 1.873 53.889 52.037 -0.035 0.000 0.628 279 A CB -0.475 18.502 19.000 -0.038 0.000 0.814 279 A HN 0.350 nan 8.150 nan 0.000 0.444 280 D N 0.126 120.535 120.400 0.015 0.000 2.097 280 D HA -0.050 4.590 4.640 -0.001 0.000 0.195 280 D C 2.250 178.576 176.300 0.042 0.000 0.989 280 D CA 1.560 55.595 54.000 0.058 0.000 0.827 280 D CB -0.445 40.442 40.800 0.145 0.000 0.966 280 D HN 0.409 nan 8.370 nan 0.000 0.456 281 A N 0.901 123.735 122.820 0.024 0.000 1.972 281 A HA -0.018 4.301 4.320 -0.001 0.000 0.219 281 A C 2.192 179.789 177.584 0.021 0.000 1.169 281 A CA 1.860 53.911 52.037 0.024 0.000 0.635 281 A CB -0.476 18.531 19.000 0.013 0.000 0.810 281 A HN 0.225 nan 8.150 nan 0.000 0.446 282 A N -1.890 120.938 122.820 0.013 0.000 2.206 282 A HA 0.387 4.706 4.320 -0.001 0.000 0.211 282 A C 1.811 179.404 177.584 0.016 0.000 1.158 282 A CA 1.297 53.343 52.037 0.015 0.000 0.761 282 A CB -0.865 18.140 19.000 0.008 0.000 0.801 282 A HN 1.881 nan 8.150 nan 0.000 0.473 283 G N -1.500 107.311 108.800 0.018 0.000 2.141 283 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.231 283 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.231 283 G C 0.039 174.947 174.900 0.013 0.000 0.984 283 G CA 0.121 45.231 45.100 0.017 0.000 0.660 283 G HN 0.423 nan 8.290 nan 0.000 0.525 284 L N 1.031 122.260 121.223 0.010 0.000 2.397 284 L HA 0.378 4.718 4.340 -0.001 0.000 0.271 284 L C -1.613 175.264 176.870 0.012 0.000 1.148 284 L CA -1.949 52.895 54.840 0.007 0.000 0.825 284 L CB 0.497 42.556 42.059 -0.000 0.000 1.117 284 L HN -0.101 nan 8.230 nan 0.000 0.456 285 P HA 0.014 nan 4.420 nan 0.000 0.265 285 P C 0.212 177.522 177.300 0.017 0.000 1.193 285 P CA -0.062 63.046 63.100 0.013 0.000 0.765 285 P CB 0.529 32.235 31.700 0.010 0.000 0.823 286 R N 3.675 124.188 120.500 0.022 0.000 2.148 286 R HA -0.136 4.204 4.340 -0.001 0.000 0.227 286 R C 1.766 178.079 176.300 0.022 0.000 1.103 286 R CA 1.513 57.629 56.100 0.027 0.000 0.983 286 R CB -0.545 29.774 30.300 0.031 0.000 0.874 286 R HN 0.550 nan 8.270 nan 0.000 0.451 287 A N 0.707 123.538 122.820 0.017 0.000 1.842 287 A HA -0.249 4.070 4.320 -0.001 0.000 0.217 287 A C 2.186 179.779 177.584 0.015 0.000 1.206 287 A CA 2.308 54.355 52.037 0.016 0.000 0.630 287 A CB -1.165 17.843 19.000 0.013 0.000 0.839 287 A HN 0.590 nan 8.150 nan 0.000 0.447 288 S N -0.303 115.405 115.700 0.012 0.000 2.383 288 S HA -0.159 4.310 4.470 -0.001 0.000 0.229 288 S C 2.025 176.631 174.600 0.009 0.000 1.030 288 S CA 1.717 59.923 58.200 0.010 0.000 1.002 288 S CB -0.781 62.423 63.200 0.007 0.000 0.829 288 S HN 0.471 nan 8.310 nan 0.000 0.467 289 S N 2.185 117.890 115.700 0.008 0.000 2.368 289 S HA 0.106 4.576 4.470 -0.001 0.000 0.225 289 S C 1.808 176.412 174.600 0.007 0.000 1.030 289 S CA 1.288 59.488 58.200 0.001 0.000 0.999 289 S CB -0.555 62.648 63.200 0.005 0.000 0.844 289 S HN 0.452 nan 8.310 nan 0.000 0.459 290 L N 1.267 122.502 121.223 0.019 0.000 2.093 290 L HA -0.085 4.254 4.340 -0.001 0.000 0.208 290 L C 2.603 179.489 176.870 0.026 0.000 1.085 290 L CA 1.151 56.007 54.840 0.026 0.000 0.755 290 L CB -0.440 41.637 42.059 0.029 0.000 0.904 290 L HN 0.258 nan 8.230 nan 0.000 0.435 291 K N 0.619 121.033 120.400 0.023 0.000 2.032 291 K HA -0.213 4.106 4.320 -0.001 0.000 0.209 291 K C 2.146 178.768 176.600 0.036 0.000 1.048 291 K CA 1.505 57.807 56.287 0.026 0.000 0.927 291 K CB -0.097 32.416 32.500 0.021 0.000 0.712 291 K HN 0.270 nan 8.250 nan 0.000 0.441 292 A N 1.459 124.297 122.820 0.030 0.000 1.940 292 A HA -0.148 4.172 4.320 -0.001 0.000 0.219 292 A C 2.139 179.763 177.584 0.066 0.000 1.176 292 A CA 1.298 53.359 52.037 0.040 0.000 0.631 292 A CB -0.577 18.422 19.000 -0.001 0.000 0.814 292 A HN 0.344 nan 8.150 nan 0.000 0.446 293 L N -0.110 121.138 121.223 0.041 0.000 2.201 293 L HA -0.135 4.204 4.340 -0.001 0.000 0.212 293 L C 2.778 179.712 176.870 0.108 0.000 1.105 293 L CA 1.690 56.571 54.840 0.068 0.000 0.775 293 L CB -0.551 41.534 42.059 0.043 0.000 0.913 293 L HN 0.682 nan 8.230 nan 0.000 0.440 294 T N -5.597 109.003 114.554 0.077 0.000 3.088 294 T HA -0.052 4.297 4.350 -0.001 0.000 0.259 294 T C 1.555 176.297 174.700 0.070 0.000 1.122 294 T CA 0.952 63.090 62.100 0.063 0.000 1.095 294 T CB -0.194 68.695 68.868 0.035 0.000 0.930 294 T HN 0.420 nan 8.240 nan 0.000 0.508 295 T N -1.948 112.664 114.554 0.096 0.000 2.978 295 T HA 0.317 4.666 4.350 -0.001 0.000 0.248 295 T C 0.346 175.118 174.700 0.120 0.000 1.018 295 T CA -0.662 61.489 62.100 0.084 0.000 1.026 295 T CB -0.690 68.221 68.868 0.071 0.000 1.032 295 T HN 0.204 nan 8.240 nan 0.000 0.485 296 F N 4.959 124.912 119.950 0.005 0.000 2.549 296 F HA 0.239 4.765 4.527 -0.001 0.000 0.400 296 F C 1.261 177.061 175.800 0.000 0.000 1.011 296 F CA 0.311 58.314 58.000 0.004 0.000 1.148 296 F CB 0.609 39.613 39.000 0.006 0.000 0.993 296 F HN 0.266 nan 8.300 nan 0.000 0.540 297 T N 3.003 117.215 114.554 -0.569 0.000 3.215 297 T HA 0.577 4.926 4.350 -0.001 0.000 0.271 297 T C 0.548 174.814 174.700 -0.725 0.000 1.012 297 T CA 0.046 61.846 62.100 -0.500 0.000 0.899 297 T CB -0.746 67.971 68.868 -0.253 0.000 1.089 297 T HN 1.391 nan 8.240 nan 0.000 0.552 298 G N 1.349 109.197 108.800 -1.588 0.000 2.592 298 G HA2 0.035 3.995 3.960 -0.001 0.000 0.684 298 G HA3 0.035 3.995 3.960 -0.001 0.000 0.684 298 G C -0.847 173.791 174.900 -0.437 0.000 1.291 298 G CA -0.700 43.826 45.100 -0.957 0.000 0.891 298 G HN 0.691 nan 8.290 nan 0.000 0.544 299 L N 2.813 124.001 121.223 -0.058 0.000 2.534 299 L HA 0.446 4.786 4.340 -0.001 0.000 0.271 299 L C -0.551 176.339 176.870 0.033 0.000 1.178 299 L CA -0.611 54.270 54.840 0.068 0.000 0.907 299 L CB 0.023 42.131 42.059 0.082 0.000 1.164 299 L HN 0.642 nan 8.230 nan 0.000 0.482 300 P HA 0.105 nan 4.420 nan 0.000 0.274 300 P C -0.683 176.693 177.300 0.127 0.000 1.237 300 P CA -0.291 62.832 63.100 0.039 0.000 0.793 300 P CB 0.437 32.159 31.700 0.037 0.000 0.977 301 H N 0.165 119.223 119.070 -0.020 0.000 2.771 301 H HA 0.065 4.620 4.556 -0.001 0.000 0.364 301 H C 1.735 177.014 175.328 -0.081 0.000 1.133 301 H CA -0.495 55.534 56.048 -0.032 0.000 1.423 301 H CB 1.150 30.916 29.762 0.007 0.000 1.425 301 H HN 0.473 nan 8.280 nan 0.000 0.606 302 R N 1.663 122.115 120.500 -0.079 0.000 2.096 302 R HA -0.124 4.216 4.340 -0.001 0.000 0.240 302 R C -0.455 175.573 176.300 -0.453 0.000 1.139 302 R CA 1.517 57.390 56.100 -0.379 0.000 0.952 302 R CB 0.206 30.130 30.300 -0.628 0.000 0.854 302 R HN 0.342 nan 8.270 nan 0.000 0.436 303 F N -1.028 118.973 119.950 0.086 0.000 2.620 303 F HA 0.364 4.890 4.527 -0.001 0.000 0.320 303 F C -0.575 175.297 175.800 0.119 0.000 1.069 303 F CA -1.343 56.704 58.000 0.078 0.000 0.953 303 F CB 1.467 40.505 39.000 0.064 0.000 1.322 303 F HN -0.115 nan 8.300 nan 0.000 0.479 304 E N 1.157 121.556 120.200 0.331 0.000 2.129 304 E HA 0.528 4.878 4.350 -0.001 0.000 0.268 304 E C -1.691 175.052 176.600 0.238 0.000 0.900 304 E CA -0.522 56.019 56.400 0.235 0.000 0.755 304 E CB 1.493 31.297 29.700 0.173 0.000 1.117 304 E HN 0.444 nan 8.360 nan 0.000 0.410 305 V N 6.389 126.436 119.914 0.222 0.000 2.387 305 V HA 0.007 4.126 4.120 -0.001 0.000 0.260 305 V C 1.293 177.499 176.094 0.186 0.000 1.054 305 V CA -0.051 62.376 62.300 0.210 0.000 0.967 305 V CB 0.710 32.644 31.823 0.184 0.000 1.036 305 V HN 0.737 nan 8.190 nan 0.000 0.481 306 V N 3.615 123.662 119.914 0.221 0.000 3.235 306 V HA 0.385 4.505 4.120 -0.001 0.000 0.259 306 V C 0.226 176.353 176.094 0.055 0.000 1.133 306 V CA 0.696 63.076 62.300 0.134 0.000 1.128 306 V CB 0.191 32.094 31.823 0.134 0.000 0.757 306 V HN 0.568 nan 8.190 nan 0.000 0.469 307 L N 0.161 121.460 121.223 0.126 0.000 2.643 307 L HA 0.610 4.950 4.340 -0.001 0.000 0.256 307 L C -1.314 175.704 176.870 0.247 0.000 0.931 307 L CA -0.340 54.546 54.840 0.076 0.000 0.895 307 L CB 2.086 44.037 42.059 -0.180 0.000 1.430 307 L HN 0.293 nan 8.230 nan 0.000 0.419 308 E N 3.935 124.254 120.200 0.199 0.000 2.373 308 E HA 0.370 4.720 4.350 -0.001 0.000 0.251 308 E C -1.854 174.896 176.600 0.250 0.000 0.923 308 E CA -0.463 56.077 56.400 0.234 0.000 0.798 308 E CB 0.705 30.502 29.700 0.162 0.000 1.303 308 E HN 0.747 nan 8.360 nan 0.000 0.412 309 H N 4.092 123.255 119.070 0.155 0.000 2.996 309 H HA 0.224 4.780 4.556 -0.001 0.000 0.368 309 H C -0.383 175.017 175.328 0.120 0.000 1.185 309 H CA -0.569 55.539 56.048 0.100 0.000 1.160 309 H CB 1.094 30.885 29.762 0.049 0.000 1.820 309 H HN 0.595 nan 8.280 nan 0.000 0.547 310 N N 2.279 120.737 118.700 -0.402 0.000 2.725 310 N HA -0.186 4.554 4.740 -0.001 0.000 0.249 310 N C 0.960 176.420 175.510 -0.084 0.000 1.103 310 N CA 1.607 54.473 53.050 -0.307 0.000 0.707 310 N CB -1.575 36.693 38.487 -0.365 0.000 1.043 310 N HN 1.016 nan 8.380 nan 0.000 0.553 311 G N -2.699 106.091 108.800 -0.016 0.000 2.148 311 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.254 311 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.254 311 G C -0.062 174.857 174.900 0.031 0.000 0.981 311 G CA 0.436 45.545 45.100 0.017 0.000 0.670 311 G HN 0.528 nan 8.290 nan 0.000 0.528 312 V N 0.483 120.435 119.914 0.063 0.000 2.555 312 V HA 0.643 4.762 4.120 -0.001 0.000 0.302 312 V C 0.550 176.706 176.094 0.104 0.000 1.038 312 V CA -0.905 61.411 62.300 0.027 0.000 0.887 312 V CB 1.791 33.605 31.823 -0.015 0.000 0.991 312 V HN 0.328 nan 8.190 nan 0.000 0.434 313 R N 2.811 123.317 120.500 0.009 0.000 2.393 313 R HA 0.405 4.744 4.340 -0.001 0.000 0.310 313 R C -1.754 174.557 176.300 0.019 0.000 0.968 313 R CA -0.485 55.681 56.100 0.111 0.000 0.867 313 R CB 1.684 32.037 30.300 0.088 0.000 1.124 313 R HN 0.631 nan 8.270 nan 0.000 0.450 314 W N 4.948 126.299 121.300 0.085 0.000 2.294 314 W HA 0.422 5.083 4.660 0.000 0.000 0.314 314 W C -0.229 176.431 176.519 0.235 0.000 1.044 314 W CA -0.303 57.132 57.345 0.151 0.000 1.284 314 W CB 0.631 30.096 29.460 0.009 0.000 1.231 314 W HN 0.283 nan 8.180 nan 0.000 0.419 315 I N 3.984 124.762 120.570 0.346 0.000 2.339 315 I HA 0.147 4.316 4.170 -0.001 0.000 0.290 315 I C 0.004 176.147 176.117 0.042 0.000 0.994 315 I CA -0.937 60.455 61.300 0.152 0.000 1.191 315 I CB 1.176 39.095 38.000 -0.136 0.000 1.343 315 I HN 0.276 nan 8.210 nan 0.000 0.458 316 N N 4.760 123.536 118.700 0.126 0.000 2.414 316 N HA 0.137 4.877 4.740 -0.001 0.000 0.256 316 N C -0.668 174.836 175.510 -0.010 0.000 1.029 316 N CA -0.017 53.004 53.050 -0.047 0.000 0.948 316 N CB 0.916 39.519 38.487 0.192 0.000 1.102 316 N HN 0.506 nan 8.380 nan 0.000 0.496 317 D N 1.559 121.889 120.400 -0.118 0.000 2.908 317 D HA 0.127 4.766 4.640 -0.001 0.000 0.361 317 D C 0.575 176.826 176.300 -0.082 0.000 1.416 317 D CA -0.144 53.867 54.000 0.020 0.000 0.796 317 D CB -0.046 40.789 40.800 0.058 0.000 1.185 317 D HN 0.379 nan 8.370 nan 0.000 0.451 318 S N 0.402 116.043 115.700 -0.097 0.000 2.442 318 S HA -0.186 4.283 4.470 -0.001 0.000 0.236 318 S C 1.769 176.246 174.600 -0.204 0.000 1.007 318 S CA 1.329 59.474 58.200 -0.092 0.000 0.965 318 S CB -0.126 63.075 63.200 0.002 0.000 0.773 318 S HN 0.526 nan 8.310 nan 0.000 0.504 319 K N 0.521 120.715 120.400 -0.343 0.000 2.439 319 K HA 0.170 4.490 4.320 -0.001 0.000 0.197 319 K C 0.682 176.973 176.600 -0.516 0.000 1.041 319 K CA 0.810 56.588 56.287 -0.848 0.000 0.970 319 K CB -0.298 31.844 32.500 -0.597 0.000 0.773 319 K HN 0.285 nan 8.250 nan 0.000 0.479 320 A N 2.679 125.349 122.820 -0.250 0.000 2.906 320 A HA 0.089 4.409 4.320 -0.001 0.000 0.289 320 A C 0.945 178.450 177.584 -0.131 0.000 1.675 320 A CA -0.217 51.733 52.037 -0.145 0.000 1.372 320 A CB -0.473 18.487 19.000 -0.067 0.000 1.091 320 A HN 0.441 nan 8.150 nan 0.000 0.579 321 T N -1.278 113.191 114.554 -0.143 0.000 3.129 321 T HA 0.118 4.467 4.350 -0.001 0.000 0.251 321 T C 0.401 175.101 174.700 -0.000 0.000 1.117 321 T CA 0.300 62.367 62.100 -0.054 0.000 1.034 321 T CB -0.704 68.152 68.868 -0.021 0.000 0.968 321 T HN 0.722 nan 8.240 nan 0.000 0.526 322 N N -0.938 117.757 118.700 -0.009 0.000 2.571 322 N HA 0.448 5.187 4.740 -0.001 0.000 0.273 322 N C 0.552 176.068 175.510 0.010 0.000 1.340 322 N CA -1.054 52.010 53.050 0.025 0.000 0.789 322 N CB 1.169 39.673 38.487 0.029 0.000 1.514 322 N HN -0.174 nan 8.380 nan 0.000 0.499 323 V N -0.045 119.891 119.914 0.037 0.000 2.407 323 V HA -0.058 4.061 4.120 -0.001 0.000 0.248 323 V C 2.268 178.320 176.094 -0.070 0.000 1.055 323 V CA 2.435 64.733 62.300 -0.004 0.000 1.049 323 V CB -1.273 30.583 31.823 0.055 0.000 0.662 323 V HN 0.910 nan 8.190 nan 0.000 0.455 324 G N -0.675 108.104 108.800 -0.035 0.000 2.432 324 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.219 324 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.219 324 G C 1.832 176.698 174.900 -0.057 0.000 1.135 324 G CA 1.225 46.297 45.100 -0.046 0.000 0.767 324 G HN 0.520 nan 8.290 nan 0.000 0.550 325 S N 0.128 115.802 115.700 -0.044 0.000 2.371 325 S HA -0.084 4.386 4.470 -0.001 0.000 0.224 325 S C 2.562 177.141 174.600 -0.036 0.000 1.029 325 S CA 1.583 59.760 58.200 -0.038 0.000 0.978 325 S CB -0.407 62.766 63.200 -0.046 0.000 0.833 325 S HN 0.421 nan 8.310 nan 0.000 0.466 326 T N 2.445 116.959 114.554 -0.066 0.000 2.746 326 T HA -0.102 4.247 4.350 -0.001 0.000 0.267 326 T C 1.693 176.321 174.700 -0.121 0.000 1.039 326 T CA 1.263 63.315 62.100 -0.080 0.000 1.142 326 T CB -0.332 68.471 68.868 -0.109 0.000 0.866 326 T HN 0.502 nan 8.240 nan 0.000 0.444 327 E N 1.081 121.140 120.200 -0.233 0.000 2.077 327 E HA -0.088 4.261 4.350 -0.001 0.000 0.193 327 E C 2.539 179.089 176.600 -0.084 0.000 0.989 327 E CA 1.023 57.191 56.400 -0.386 0.000 0.800 327 E CB -0.220 29.106 29.700 -0.624 0.000 0.746 327 E HN 0.484 nan 8.360 nan 0.000 0.452 328 A N 1.457 124.258 122.820 -0.031 0.000 1.930 328 A HA -0.070 4.250 4.320 -0.001 0.000 0.217 328 A C 2.384 180.022 177.584 0.091 0.000 1.175 328 A CA 1.540 53.597 52.037 0.033 0.000 0.627 328 A CB -0.522 18.483 19.000 0.009 0.000 0.815 328 A HN 0.288 nan 8.150 nan 0.000 0.443 329 A N -0.229 122.667 122.820 0.125 0.000 1.930 329 A HA 0.013 4.332 4.320 -0.001 0.000 0.217 329 A C 2.098 179.808 177.584 0.209 0.000 1.175 329 A CA 1.388 53.604 52.037 0.297 0.000 0.627 329 A CB -0.521 18.648 19.000 0.281 0.000 0.815 329 A HN 0.472 nan 8.150 nan 0.000 0.443 330 L N -0.440 120.850 121.223 0.111 0.000 2.217 330 L HA -0.067 4.272 4.340 -0.001 0.000 0.211 330 L C 1.002 177.956 176.870 0.141 0.000 1.107 330 L CA 0.278 55.183 54.840 0.108 0.000 0.783 330 L CB -0.758 41.369 42.059 0.113 0.000 0.919 330 L HN 0.420 nan 8.230 nan 0.000 0.442 331 N N 0.946 119.739 118.700 0.155 0.000 2.440 331 N HA 0.089 4.828 4.740 -0.001 0.000 0.265 331 N C 1.057 176.636 175.510 0.115 0.000 1.239 331 N CA 1.056 54.190 53.050 0.140 0.000 0.909 331 N CB 0.575 39.141 38.487 0.132 0.000 1.066 331 N HN 0.298 nan 8.380 nan 0.000 0.474 332 G N 2.557 111.414 108.800 0.095 0.000 2.180 332 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.263 332 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.263 332 G C 0.071 175.040 174.900 0.116 0.000 0.989 332 G CA 0.419 45.573 45.100 0.091 0.000 0.692 332 G HN 0.667 nan 8.290 nan 0.000 0.526 333 L N 1.085 122.378 121.223 0.117 0.000 2.477 333 L HA 0.519 4.858 4.340 -0.001 0.000 0.272 333 L C 0.717 177.656 176.870 0.115 0.000 1.157 333 L CA -0.657 54.260 54.840 0.127 0.000 0.889 333 L CB 0.256 42.368 42.059 0.087 0.000 1.158 333 L HN 0.334 nan 8.230 nan 0.000 0.473 334 H N 4.139 123.237 119.070 0.047 0.000 2.864 334 H HA 0.500 5.055 4.556 -0.000 0.000 0.281 334 H C -1.163 174.174 175.328 0.015 0.000 1.093 334 H CA -0.319 55.747 56.048 0.029 0.000 1.453 334 H CB 0.517 30.300 29.762 0.034 0.000 1.462 334 H HN 0.415 nan 8.280 nan 0.000 0.480 335 V N 6.353 126.079 119.914 -0.313 0.000 2.409 335 V HA 0.066 4.186 4.120 -0.001 0.000 0.290 335 V C 0.357 176.263 176.094 -0.312 0.000 1.017 335 V CA -0.758 61.409 62.300 -0.223 0.000 0.841 335 V CB 1.672 33.419 31.823 -0.125 0.000 1.003 335 V HN 0.899 nan 8.190 nan 0.000 0.426 336 D N 3.297 123.556 120.400 -0.235 0.000 2.183 336 D HA 0.013 4.652 4.640 -0.001 0.000 0.203 336 D C 1.265 177.508 176.300 -0.094 0.000 0.969 336 D CA 1.581 55.484 54.000 -0.162 0.000 0.842 336 D CB 0.725 41.501 40.800 -0.040 0.000 0.957 336 D HN 0.705 nan 8.370 nan 0.000 0.484 337 G N -0.450 108.306 108.800 -0.073 0.000 3.267 337 G HA2 0.241 4.200 3.960 -0.001 0.000 0.200 337 G HA3 0.241 4.200 3.960 -0.001 0.000 0.200 337 G C -0.307 174.552 174.900 -0.068 0.000 1.603 337 G CA -0.085 44.985 45.100 -0.050 0.000 0.753 337 G HN -0.008 nan 8.290 nan 0.000 0.755 338 T N 0.776 115.294 114.554 -0.061 0.000 2.867 338 T HA 0.497 4.846 4.350 -0.001 0.000 0.282 338 T C -0.899 173.684 174.700 -0.195 0.000 1.000 338 T CA -0.141 61.869 62.100 -0.150 0.000 1.042 338 T CB 1.666 70.406 68.868 -0.212 0.000 0.973 338 T HN 0.352 nan 8.240 nan 0.000 0.465 339 L N 4.407 125.494 121.223 -0.227 0.000 2.257 339 L HA 0.349 4.688 4.340 -0.001 0.000 0.290 339 L C -0.455 176.280 176.870 -0.225 0.000 1.044 339 L CA -0.216 54.530 54.840 -0.158 0.000 0.810 339 L CB 0.309 42.308 42.059 -0.099 0.000 1.193 339 L HN 0.634 nan 8.230 nan 0.000 0.425 340 H N 6.438 125.522 119.070 0.023 0.000 2.724 340 H HA 0.261 4.817 4.556 -0.000 0.000 0.278 340 H C -0.791 174.631 175.328 0.156 0.000 1.159 340 H CA -0.667 55.498 56.048 0.196 0.000 1.254 340 H CB 1.310 31.103 29.762 0.051 0.000 1.412 340 H HN 0.456 nan 8.280 nan 0.000 0.488 341 L N 4.692 126.053 121.223 0.229 0.000 2.276 341 L HA 0.261 4.600 4.340 -0.001 0.000 0.286 341 L C -0.762 176.251 176.870 0.238 0.000 1.061 341 L CA -0.347 54.578 54.840 0.142 0.000 0.807 341 L CB 0.631 42.709 42.059 0.032 0.000 1.177 341 L HN 0.430 nan 8.230 nan 0.000 0.429 342 L N 6.670 128.010 121.223 0.196 0.000 2.264 342 L HA 0.482 4.822 4.340 -0.001 0.000 0.289 342 L C -0.678 176.306 176.870 0.190 0.000 1.044 342 L CA -0.130 54.890 54.840 0.300 0.000 0.807 342 L CB 0.926 43.172 42.059 0.312 0.000 1.192 342 L HN 0.549 nan 8.230 nan 0.000 0.425 343 L N 3.286 124.581 121.223 0.121 0.000 2.381 343 L HA 0.968 5.307 4.340 -0.001 0.000 0.268 343 L C 0.099 176.634 176.870 -0.558 0.000 0.997 343 L CA -0.562 54.184 54.840 -0.157 0.000 0.818 343 L CB 2.141 44.095 42.059 -0.175 0.000 1.310 343 L HN 0.728 nan 8.230 nan 0.000 0.416 344 G N 0.593 108.976 108.800 -0.695 0.000 2.339 344 G HA2 0.515 4.474 3.960 -0.001 0.000 0.302 344 G HA3 0.515 4.474 3.960 -0.001 0.000 0.302 344 G C -0.683 173.861 174.900 -0.593 0.000 1.425 344 G CA 0.299 44.805 45.100 -0.989 0.000 0.899 344 G HN 1.124 nan 8.290 nan 0.000 0.619 345 G N -0.390 108.222 108.800 -0.313 0.000 2.337 345 G HA2 0.304 4.264 3.960 -0.001 0.000 0.197 345 G HA3 0.304 4.264 3.960 -0.001 0.000 0.197 345 G C -1.564 173.363 174.900 0.045 0.000 1.238 345 G CA 0.144 45.240 45.100 -0.008 0.000 1.119 345 G HN 1.017 nan 8.290 nan 0.000 0.514 346 D N 1.780 122.236 120.400 0.093 0.000 2.428 346 D HA 0.556 5.195 4.640 -0.001 0.000 0.221 346 D C 0.771 177.139 176.300 0.114 0.000 1.123 346 D CA 0.901 54.960 54.000 0.098 0.000 0.869 346 D CB 0.749 41.603 40.800 0.090 0.000 1.032 346 D HN 0.793 nan 8.370 nan 0.000 0.506 347 G N 1.201 110.106 108.800 0.176 0.000 2.795 347 G HA2 0.375 4.334 3.960 -0.001 0.000 0.267 347 G HA3 0.375 4.334 3.960 -0.001 0.000 0.267 347 G C -0.214 174.693 174.900 0.012 0.000 1.362 347 G CA -0.591 44.642 45.100 0.222 0.000 1.048 347 G HN 0.062 nan 8.290 nan 0.000 0.547 348 K N 1.310 121.627 120.400 -0.138 0.000 2.356 348 K HA 0.202 4.521 4.320 -0.001 0.000 0.243 348 K C 1.453 177.529 176.600 -0.873 0.000 1.072 348 K CA -0.201 55.894 56.287 -0.320 0.000 1.014 348 K CB 1.138 33.546 32.500 -0.154 0.000 1.523 348 K HN 0.531 nan 8.250 nan 0.000 0.455 349 S N 1.129 116.209 115.700 -1.033 0.000 2.392 349 S HA -0.272 4.198 4.470 -0.001 0.000 0.232 349 S C 1.998 176.177 174.600 -0.701 0.000 1.041 349 S CA 1.376 58.786 58.200 -1.317 0.000 1.026 349 S CB -0.234 62.661 63.200 -0.509 0.000 0.845 349 S HN 0.524 nan 8.310 nan 0.000 0.465 350 A N 1.931 124.515 122.820 -0.393 0.000 2.024 350 A HA -0.109 4.210 4.320 -0.001 0.000 0.220 350 A C 1.559 179.050 177.584 -0.155 0.000 1.164 350 A CA 1.672 53.587 52.037 -0.204 0.000 0.643 350 A CB -0.522 18.395 19.000 -0.138 0.000 0.806 350 A HN 0.560 nan 8.150 nan 0.000 0.451 351 D N -1.598 118.681 120.400 -0.202 0.000 2.363 351 D HA 0.160 4.799 4.640 -0.001 0.000 0.214 351 D C 0.775 177.149 176.300 0.124 0.000 1.093 351 D CA -0.105 53.872 54.000 -0.038 0.000 0.837 351 D CB -0.073 40.722 40.800 -0.009 0.000 0.948 351 D HN 0.344 nan 8.370 nan 0.000 0.507 352 F N 1.896 121.843 119.950 -0.006 0.000 2.163 352 F HA -0.134 4.392 4.527 -0.002 0.000 0.297 352 F C 2.675 178.479 175.800 0.006 0.000 1.094 352 F CA 0.523 58.517 58.000 -0.009 0.000 1.290 352 F CB -1.264 37.728 39.000 -0.013 0.000 1.017 352 F HN -0.026 nan 8.300 nan 0.000 0.483 353 S N 0.861 116.690 115.700 0.214 0.000 2.381 353 S HA -0.208 4.261 4.470 -0.001 0.000 0.230 353 S C -0.278 174.397 174.600 0.125 0.000 1.052 353 S CA 1.580 59.861 58.200 0.135 0.000 1.068 353 S CB -2.118 61.136 63.200 0.090 0.000 0.918 353 S HN 0.202 nan 8.310 nan 0.000 0.448 354 P HA 0.040 nan 4.420 nan 0.000 0.220 354 P C 1.659 179.104 177.300 0.241 0.000 1.148 354 P CA 0.469 63.671 63.100 0.170 0.000 0.803 354 P CB -0.176 31.624 31.700 0.167 0.000 0.782 355 L N -0.008 121.310 121.223 0.158 0.000 2.127 355 L HA -0.132 4.208 4.340 -0.001 0.000 0.211 355 L C 2.165 179.148 176.870 0.187 0.000 1.089 355 L CA 1.811 56.717 54.840 0.109 0.000 0.757 355 L CB -1.460 40.588 42.059 -0.018 0.000 0.899 355 L HN -0.101 nan 8.230 nan 0.000 0.434 356 A N -0.510 122.385 122.820 0.125 0.000 1.948 356 A HA -0.283 4.036 4.320 -0.001 0.000 0.220 356 A C 2.417 180.063 177.584 0.102 0.000 1.177 356 A CA 1.914 54.001 52.037 0.083 0.000 0.636 356 A CB -0.613 18.420 19.000 0.054 0.000 0.815 356 A HN 0.467 nan 8.150 nan 0.000 0.449 357 R N -2.046 118.534 120.500 0.133 0.000 2.285 357 R HA -0.069 4.270 4.340 -0.001 0.000 0.213 357 R C 0.811 177.079 176.300 -0.054 0.000 1.068 357 R CA 0.947 57.062 56.100 0.025 0.000 1.004 357 R CB -0.310 29.971 30.300 -0.032 0.000 0.873 357 R HN 0.709 nan 8.270 nan 0.000 0.467 358 Y N -1.198 119.098 120.300 -0.007 0.000 2.462 358 Y HA 0.167 4.717 4.550 0.000 0.000 0.261 358 Y C 0.805 176.691 175.900 -0.024 0.000 1.146 358 Y CA 0.187 58.281 58.100 -0.010 0.000 1.283 358 Y CB 0.498 38.955 38.460 -0.005 0.000 1.090 358 Y HN -0.059 nan 8.280 nan 0.000 0.526 359 L N 0.137 121.424 121.223 0.106 0.000 2.791 359 L HA 0.216 4.556 4.340 -0.001 0.000 0.239 359 L C -0.045 176.822 176.870 -0.006 0.000 1.203 359 L CA -0.180 54.681 54.840 0.034 0.000 1.002 359 L CB -0.374 41.693 42.059 0.012 0.000 1.295 359 L HN 0.079 nan 8.230 nan 0.000 0.504 360 N N 1.264 119.957 118.700 -0.012 0.000 2.458 360 N HA 0.652 5.391 4.740 -0.001 0.000 0.271 360 N C 0.421 175.910 175.510 -0.035 0.000 1.210 360 N CA 0.501 53.534 53.050 -0.028 0.000 0.978 360 N CB 1.711 40.179 38.487 -0.032 0.000 1.206 360 N HN 0.179 nan 8.380 nan 0.000 0.536 361 G N -0.017 108.760 108.800 -0.039 0.000 2.497 361 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.686 361 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.686 361 G C -0.685 174.186 174.900 -0.048 0.000 1.288 361 G CA -0.625 44.450 45.100 -0.042 0.000 0.899 361 G HN 0.467 nan 8.290 nan 0.000 0.608 362 D N 0.085 120.457 120.400 -0.047 0.000 2.340 362 D HA 0.045 4.684 4.640 -0.001 0.000 0.220 362 D C 1.063 177.325 176.300 -0.063 0.000 1.039 362 D CA 0.345 54.315 54.000 -0.049 0.000 0.866 362 D CB 0.195 40.971 40.800 -0.040 0.000 0.913 362 D HN 0.369 nan 8.370 nan 0.000 0.523 363 N N 0.672 119.328 118.700 -0.072 0.000 2.535 363 N HA 0.124 4.864 4.740 -0.001 0.000 0.294 363 N C -0.819 174.616 175.510 -0.125 0.000 1.408 363 N CA 0.060 53.053 53.050 -0.094 0.000 0.927 363 N CB 2.218 40.655 38.487 -0.083 0.000 1.276 363 N HN -0.106 nan 8.380 nan 0.000 0.505 364 V N 0.937 120.773 119.914 -0.129 0.000 2.733 364 V HA 0.472 4.592 4.120 -0.001 0.000 0.306 364 V C -0.406 175.583 176.094 -0.174 0.000 1.084 364 V CA -0.837 61.375 62.300 -0.146 0.000 0.905 364 V CB 2.801 34.567 31.823 -0.094 0.000 1.010 364 V HN 0.083 nan 8.190 nan 0.000 0.424 365 R N 3.949 124.317 120.500 -0.220 0.000 2.561 365 R HA 0.697 5.036 4.340 -0.001 0.000 0.297 365 R C -1.353 174.759 176.300 -0.313 0.000 0.969 365 R CA -0.633 55.298 56.100 -0.282 0.000 0.879 365 R CB 2.337 32.481 30.300 -0.261 0.000 1.178 365 R HN 0.636 nan 8.270 nan 0.000 0.445 366 L N 3.411 124.377 121.223 -0.429 0.000 2.317 366 L HA 0.528 4.868 4.340 -0.001 0.000 0.281 366 L C -0.786 175.762 176.870 -0.537 0.000 1.024 366 L CA -0.890 53.767 54.840 -0.306 0.000 0.810 366 L CB 0.937 42.891 42.059 -0.175 0.000 1.240 366 L HN 0.467 nan 8.230 nan 0.000 0.427 367 Y N 1.275 121.626 120.300 0.085 0.000 2.363 367 Y HA 0.361 4.912 4.550 0.001 0.000 0.325 367 Y C -0.285 175.733 175.900 0.198 0.000 0.984 367 Y CA -0.687 57.497 58.100 0.140 0.000 1.248 367 Y CB 1.605 40.164 38.460 0.165 0.000 1.116 367 Y HN 0.481 nan 8.280 nan 0.000 0.470 368 C N 5.137 124.577 119.300 0.233 0.000 2.329 368 C HA 0.798 5.258 4.460 -0.001 0.000 0.329 368 C C -0.179 174.956 174.990 0.241 0.000 1.275 368 C CA -0.990 58.111 59.018 0.139 0.000 1.726 368 C CB -1.110 26.621 27.740 -0.014 0.000 2.291 368 C HN 0.769 nan 8.230 nan 0.000 0.514 369 F N 0.219 120.216 119.950 0.078 0.000 2.824 369 F HA 0.962 5.489 4.527 -0.001 0.000 0.330 369 F C 0.375 176.228 175.800 0.088 0.000 1.175 369 F CA -0.109 57.946 58.000 0.090 0.000 0.974 369 F CB 0.431 39.505 39.000 0.123 0.000 1.430 369 F HN 1.150 nan 8.300 nan 0.000 0.507 370 G N 0.620 109.597 108.800 0.295 0.000 2.693 370 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.226 370 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.226 370 G C 0.483 175.427 174.900 0.073 0.000 1.354 370 G CA 0.204 45.404 45.100 0.168 0.000 0.873 370 G HN 1.192 nan 8.290 nan 0.000 0.562 371 R N -0.334 120.206 120.500 0.065 0.000 2.096 371 R HA -0.109 4.230 4.340 -0.001 0.000 0.240 371 R C 1.186 177.519 176.300 0.055 0.000 1.139 371 R CA 2.217 58.352 56.100 0.059 0.000 0.952 371 R CB -0.298 30.041 30.300 0.064 0.000 0.854 371 R HN 0.552 nan 8.270 nan 0.000 0.436 372 D N -0.942 119.488 120.400 0.050 0.000 2.395 372 D HA 0.089 4.728 4.640 -0.001 0.000 0.226 372 D C 1.148 177.442 176.300 -0.010 0.000 1.146 372 D CA 0.267 54.317 54.000 0.083 0.000 0.830 372 D CB 0.658 41.603 40.800 0.243 0.000 0.958 372 D HN 0.441 nan 8.370 nan 0.000 0.501 373 G N 1.352 110.129 108.800 -0.037 0.000 2.440 373 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.218 373 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.218 373 G C 1.683 176.564 174.900 -0.031 0.000 1.154 373 G CA 0.992 46.056 45.100 -0.059 0.000 0.767 373 G HN 0.377 nan 8.290 nan 0.000 0.552 374 A N 0.369 123.194 122.820 0.008 0.000 1.883 374 A HA -0.107 4.213 4.320 -0.001 0.000 0.217 374 A C 2.406 179.993 177.584 0.006 0.000 1.186 374 A CA 2.221 54.267 52.037 0.014 0.000 0.624 374 A CB -0.427 18.591 19.000 0.031 0.000 0.822 374 A HN 0.386 nan 8.150 nan 0.000 0.444 375 Q N -0.032 119.786 119.800 0.029 0.000 2.079 375 Q HA -0.016 4.323 4.340 -0.001 0.000 0.200 375 Q C 2.037 178.002 176.000 -0.059 0.000 0.974 375 Q CA 1.453 57.290 55.803 0.057 0.000 0.840 375 Q CB -0.496 28.377 28.738 0.224 0.000 0.898 375 Q HN 0.683 nan 8.270 nan 0.000 0.430 376 L N -0.035 121.069 121.223 -0.200 0.000 1.989 376 L HA -0.216 4.123 4.340 -0.001 0.000 0.211 376 L C 2.390 179.159 176.870 -0.170 0.000 1.071 376 L CA 1.242 55.888 54.840 -0.324 0.000 0.749 376 L CB -0.792 41.031 42.059 -0.394 0.000 0.890 376 L HN 0.257 nan 8.230 nan 0.000 0.431 377 A N -0.012 122.743 122.820 -0.108 0.000 1.978 377 A HA -0.177 4.142 4.320 -0.001 0.000 0.220 377 A C 2.415 179.966 177.584 -0.056 0.000 1.170 377 A CA 1.686 53.679 52.037 -0.072 0.000 0.636 377 A CB -0.718 18.259 19.000 -0.038 0.000 0.810 377 A HN 0.430 nan 8.150 nan 0.000 0.448 378 A N -0.520 122.275 122.820 -0.040 0.000 2.216 378 A HA 0.136 4.455 4.320 -0.001 0.000 0.214 378 A C 1.942 179.515 177.584 -0.020 0.000 1.160 378 A CA 0.952 52.978 52.037 -0.019 0.000 0.725 378 A CB -0.556 18.447 19.000 0.005 0.000 0.784 378 A HN 0.504 nan 8.150 nan 0.000 0.472 379 L N -1.736 119.462 121.223 -0.041 0.000 2.083 379 L HA -0.041 4.299 4.340 -0.001 0.000 0.209 379 L C 1.744 178.600 176.870 -0.024 0.000 1.083 379 L CA 1.168 55.991 54.840 -0.029 0.000 0.752 379 L CB -0.077 41.947 42.059 -0.058 0.000 0.899 379 L HN 0.429 nan 8.230 nan 0.000 0.433 380 R N -1.096 119.380 120.500 -0.039 0.000 3.033 380 R HA 0.154 4.493 4.340 -0.001 0.000 0.236 380 R C -2.221 174.050 176.300 -0.049 0.000 1.774 380 R CA -1.010 55.067 56.100 -0.038 0.000 1.401 380 R CB 0.917 31.192 30.300 -0.041 0.000 1.539 380 R HN -0.161 nan 8.270 nan 0.000 0.618 381 P HA -0.274 nan 4.420 nan 0.000 0.216 381 P C 1.021 178.294 177.300 -0.045 0.000 1.157 381 P CA 1.424 64.501 63.100 -0.038 0.000 0.880 381 P CB 0.182 31.868 31.700 -0.022 0.000 0.791 382 E N 0.189 120.365 120.200 -0.040 0.000 2.273 382 E HA -0.152 4.198 4.350 -0.001 0.000 0.198 382 E C 1.260 177.824 176.600 -0.059 0.000 1.002 382 E CA 1.944 58.320 56.400 -0.041 0.000 0.828 382 E CB -0.909 28.771 29.700 -0.033 0.000 0.747 382 E HN 0.320 nan 8.360 nan 0.000 0.491 383 V N -2.869 116.997 119.914 -0.081 0.000 3.159 383 V HA 0.692 4.811 4.120 -0.001 0.000 0.333 383 V C 0.398 176.383 176.094 -0.182 0.000 1.424 383 V CA -0.269 61.959 62.300 -0.118 0.000 1.125 383 V CB 0.257 32.009 31.823 -0.118 0.000 1.075 383 V HN 0.346 nan 8.190 nan 0.000 0.482 384 A N 0.356 123.085 122.820 -0.150 0.000 2.340 384 A HA 0.920 5.239 4.320 -0.001 0.000 0.331 384 A C -0.384 177.117 177.584 -0.138 0.000 1.140 384 A CA -0.533 51.395 52.037 -0.181 0.000 0.801 384 A CB 1.463 20.392 19.000 -0.119 0.000 1.234 384 A HN 0.360 nan 8.150 nan 0.000 0.469 385 E N 0.674 120.784 120.200 -0.150 0.000 2.244 385 E HA 0.422 4.771 4.350 -0.001 0.000 0.266 385 E C -1.152 175.479 176.600 0.052 0.000 0.914 385 E CA -0.505 55.886 56.400 -0.016 0.000 0.794 385 E CB 2.209 31.950 29.700 0.069 0.000 1.210 385 E HN 0.670 nan 8.360 nan 0.000 0.414 386 Q N 1.204 121.051 119.800 0.079 0.000 2.321 386 Q HA 0.444 4.783 4.340 -0.001 0.000 0.270 386 Q C -1.159 174.917 176.000 0.126 0.000 1.032 386 Q CA -0.405 55.459 55.803 0.101 0.000 0.784 386 Q CB 1.539 30.313 28.738 0.061 0.000 1.264 386 Q HN 0.709 nan 8.270 nan 0.000 0.448 387 T N -0.904 113.755 114.554 0.174 0.000 2.888 387 T HA 0.320 4.670 4.350 -0.001 0.000 0.288 387 T C 0.565 175.375 174.700 0.183 0.000 1.063 387 T CA -0.709 61.487 62.100 0.159 0.000 1.010 387 T CB 1.646 70.610 68.868 0.159 0.000 1.214 387 T HN 0.681 nan 8.240 nan 0.000 0.533 388 E N 0.371 120.654 120.200 0.139 0.000 2.051 388 E HA 0.025 4.375 4.350 -0.001 0.000 0.189 388 E C 0.790 177.508 176.600 0.196 0.000 0.979 388 E CA 1.072 57.556 56.400 0.140 0.000 0.803 388 E CB 0.068 29.818 29.700 0.083 0.000 0.761 388 E HN 0.846 nan 8.360 nan 0.000 0.451 389 T N -2.974 111.658 114.554 0.130 0.000 2.942 389 T HA 0.254 4.604 4.350 -0.001 0.000 0.289 389 T C 0.941 175.549 174.700 -0.153 0.000 1.044 389 T CA -0.748 61.390 62.100 0.063 0.000 1.023 389 T CB 1.469 70.330 68.868 -0.012 0.000 1.123 389 T HN 0.078 nan 8.240 nan 0.000 0.512 390 M N 0.180 119.478 119.600 -0.503 0.000 2.175 390 M HA -0.019 4.460 4.480 -0.001 0.000 0.264 390 M C 2.257 178.381 176.300 -0.293 0.000 1.063 390 M CA 1.797 56.549 55.300 -0.913 0.000 1.119 390 M CB -0.356 31.745 32.600 -0.831 0.000 1.377 390 M HN 0.965 nan 8.290 nan 0.000 0.415 391 E N -0.004 120.123 120.200 -0.121 0.000 2.058 391 E HA -0.276 4.074 4.350 -0.001 0.000 0.194 391 E C 1.877 178.450 176.600 -0.044 0.000 0.997 391 E CA 1.807 58.175 56.400 -0.052 0.000 0.801 391 E CB -0.092 29.594 29.700 -0.023 0.000 0.746 391 E HN 0.660 nan 8.360 nan 0.000 0.450 392 Q N -0.039 119.742 119.800 -0.031 0.000 2.096 392 Q HA -0.182 4.157 4.340 -0.001 0.000 0.204 392 Q C 2.235 178.246 176.000 0.018 0.000 0.982 392 Q CA 1.498 57.304 55.803 0.004 0.000 0.850 392 Q CB -0.224 28.532 28.738 0.030 0.000 0.901 392 Q HN 0.358 nan 8.270 nan 0.000 0.422 393 A N 0.747 123.573 122.820 0.011 0.000 1.940 393 A HA -0.196 4.123 4.320 -0.001 0.000 0.219 393 A C 2.045 179.609 177.584 -0.032 0.000 1.176 393 A CA 1.538 53.614 52.037 0.064 0.000 0.631 393 A CB -0.468 18.599 19.000 0.112 0.000 0.814 393 A HN 0.305 nan 8.150 nan 0.000 0.446 394 M N -1.415 118.157 119.600 -0.045 0.000 2.200 394 M HA -0.068 4.412 4.480 -0.001 0.000 0.265 394 M C 2.284 178.564 176.300 -0.033 0.000 1.066 394 M CA 1.181 56.461 55.300 -0.033 0.000 1.127 394 M CB -0.266 32.349 32.600 0.026 0.000 1.379 394 M HN 0.308 nan 8.290 nan 0.000 0.420 395 R N 0.113 120.599 120.500 -0.024 0.000 2.148 395 R HA -0.093 4.246 4.340 -0.001 0.000 0.227 395 R C 2.053 178.347 176.300 -0.009 0.000 1.103 395 R CA 0.857 56.948 56.100 -0.015 0.000 0.983 395 R CB -0.337 29.957 30.300 -0.011 0.000 0.874 395 R HN 0.235 nan 8.270 nan 0.000 0.451 396 L N 0.876 122.094 121.223 -0.008 0.000 2.044 396 L HA -0.128 4.211 4.340 -0.001 0.000 0.205 396 L C 2.013 178.872 176.870 -0.019 0.000 1.075 396 L CA 1.516 56.373 54.840 0.030 0.000 0.747 396 L CB -0.353 41.772 42.059 0.110 0.000 0.903 396 L HN 0.129 nan 8.230 nan 0.000 0.435 397 L N -2.441 118.656 121.223 -0.211 0.000 2.240 397 L HA 0.206 4.546 4.340 -0.001 0.000 0.211 397 L C 2.456 179.191 176.870 -0.225 0.000 1.106 397 L CA 1.589 56.208 54.840 -0.369 0.000 0.793 397 L CB -1.813 39.671 42.059 -0.959 0.000 0.927 397 L HN 0.064 nan 8.230 nan 0.000 0.446 398 A N 1.280 124.047 122.820 -0.088 0.000 1.896 398 A HA -0.156 4.164 4.320 -0.001 0.000 0.220 398 A C 0.423 178.007 177.584 -0.001 0.000 1.206 398 A CA 2.453 54.506 52.037 0.028 0.000 0.647 398 A CB -2.238 16.803 19.000 0.069 0.000 0.828 398 A HN 0.548 nan 8.150 nan 0.000 0.455 399 P HA 0.002 nan 4.420 nan 0.000 0.237 399 P C 1.048 178.347 177.300 -0.002 0.000 1.178 399 P CA 0.664 63.767 63.100 0.004 0.000 0.766 399 P CB 0.057 31.765 31.700 0.013 0.000 0.876 400 R N -0.523 119.961 120.500 -0.027 0.000 2.223 400 R HA 0.118 4.457 4.340 -0.001 0.000 0.198 400 R C 0.783 177.057 176.300 -0.044 0.000 0.984 400 R CA 0.156 56.258 56.100 0.004 0.000 1.018 400 R CB -0.297 30.055 30.300 0.087 0.000 0.945 400 R HN 0.150 nan 8.270 nan 0.000 0.479 401 V N 0.163 119.959 119.914 -0.196 0.000 2.775 401 V HA 0.197 4.317 4.120 -0.001 0.000 0.299 401 V C -0.212 175.848 176.094 -0.057 0.000 1.062 401 V CA -0.455 61.710 62.300 -0.226 0.000 1.063 401 V CB 1.336 32.918 31.823 -0.401 0.000 0.994 401 V HN 0.008 nan 8.190 nan 0.000 0.483 402 Q N 2.577 122.371 119.800 -0.010 0.000 2.451 402 Q HA 0.519 4.859 4.340 -0.001 0.000 0.281 402 Q C -2.841 173.157 176.000 -0.004 0.000 1.099 402 Q CA -2.124 53.680 55.803 0.002 0.000 0.806 402 Q CB 2.043 30.794 28.738 0.021 0.000 1.419 402 Q HN 0.580 nan 8.270 nan 0.000 0.427 403 P HA -0.004 nan 4.420 nan 0.000 0.260 403 P C 0.563 177.864 177.300 0.001 0.000 1.172 403 P CA 1.596 64.692 63.100 -0.007 0.000 0.760 403 P CB 0.179 31.874 31.700 -0.009 0.000 0.773 404 G N 2.011 110.813 108.800 0.003 0.000 2.238 404 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.217 404 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.217 404 G C 0.073 174.969 174.900 -0.008 0.000 0.996 404 G CA -0.338 44.764 45.100 0.003 0.000 0.632 404 G HN 0.483 nan 8.290 nan 0.000 0.503 405 D N 0.290 120.687 120.400 -0.004 0.000 2.377 405 D HA 0.592 5.232 4.640 -0.001 0.000 0.245 405 D C 0.602 176.878 176.300 -0.040 0.000 1.196 405 D CA 0.181 54.188 54.000 0.012 0.000 0.962 405 D CB 0.941 41.803 40.800 0.103 0.000 1.127 405 D HN 0.388 nan 8.370 nan 0.000 0.471 406 M N 0.619 120.201 119.600 -0.029 0.000 2.393 406 M HA 0.378 4.857 4.480 -0.001 0.000 0.299 406 M C -1.930 174.297 176.300 -0.121 0.000 1.103 406 M CA -0.788 54.452 55.300 -0.100 0.000 0.910 406 M CB 1.833 34.394 32.600 -0.066 0.000 1.659 406 M HN -0.018 nan 8.290 nan 0.000 0.445 407 V N 5.546 125.284 119.914 -0.292 0.000 2.347 407 V HA 0.481 4.601 4.120 -0.001 0.000 0.280 407 V C -0.930 175.148 176.094 -0.027 0.000 1.021 407 V CA -0.695 61.453 62.300 -0.253 0.000 0.847 407 V CB 1.370 32.743 31.823 -0.751 0.000 0.990 407 V HN 0.740 nan 8.190 nan 0.000 0.444 408 L N 6.785 127.994 121.223 -0.023 0.000 2.349 408 L HA 0.660 5.000 4.340 -0.001 0.000 0.278 408 L C -0.899 175.860 176.870 -0.186 0.000 0.996 408 L CA -0.475 54.292 54.840 -0.122 0.000 0.825 408 L CB 1.615 43.569 42.059 -0.176 0.000 1.243 408 L HN 0.604 nan 8.230 nan 0.000 0.412 409 L N 4.710 125.662 121.223 -0.452 0.000 2.270 409 L HA 0.607 4.946 4.340 -0.001 0.000 0.286 409 L C -0.144 176.546 176.870 -0.300 0.000 1.059 409 L CA 0.704 55.250 54.840 -0.490 0.000 0.839 409 L CB 0.849 42.234 42.059 -1.123 0.000 1.221 409 L HN 0.743 nan 8.230 nan 0.000 0.431 410 S N 6.482 122.086 115.700 -0.161 0.000 2.486 410 S HA 0.381 4.850 4.470 -0.001 0.000 0.144 410 S C -1.682 172.868 174.600 -0.084 0.000 1.542 410 S CA -0.652 57.479 58.200 -0.114 0.000 1.262 410 S CB 0.368 63.505 63.200 -0.105 0.000 1.462 410 S HN 0.613 nan 8.310 nan 0.000 0.381 411 P HA -0.174 nan 4.420 nan 0.000 0.218 411 P C 0.964 178.199 177.300 -0.109 0.000 1.147 411 P CA 1.954 65.007 63.100 -0.078 0.000 0.827 411 P CB -0.175 31.509 31.700 -0.027 0.000 0.778 412 A N -3.084 119.690 122.820 -0.078 0.000 3.132 412 A HA -0.227 4.093 4.320 -0.001 0.000 0.266 412 A C 0.590 178.182 177.584 0.013 0.000 1.216 412 A CA 1.352 53.358 52.037 -0.050 0.000 0.985 412 A CB -2.573 16.371 19.000 -0.093 0.000 1.102 412 A HN 0.448 nan 8.150 nan 0.000 0.833 413 C N -1.776 117.524 119.300 0.001 0.000 3.080 413 C HA 0.855 5.315 4.460 -0.001 0.000 0.307 413 C C 0.987 176.017 174.990 0.066 0.000 1.311 413 C CA -0.563 58.488 59.018 0.055 0.000 1.533 413 C CB 1.493 29.255 27.740 0.036 0.000 1.970 413 C HN 1.612 nan 8.230 nan 0.000 0.467 414 A N 0.889 123.768 122.820 0.099 0.000 2.313 414 A HA 0.535 4.854 4.320 -0.001 0.000 0.261 414 A C 0.998 178.683 177.584 0.169 0.000 1.090 414 A CA 0.486 52.605 52.037 0.136 0.000 0.807 414 A CB 0.109 19.186 19.000 0.129 0.000 1.055 414 A HN 1.462 nan 8.150 nan 0.000 0.492 415 S N -0.167 115.668 115.700 0.225 0.000 2.539 415 S HA 0.106 4.576 4.470 -0.001 0.000 0.221 415 S C 1.165 175.966 174.600 0.336 0.000 0.987 415 S CA 0.090 58.486 58.200 0.327 0.000 0.929 415 S CB -0.481 62.900 63.200 0.302 0.000 0.832 415 S HN 0.555 nan 8.310 nan 0.000 0.492 416 L N 2.427 123.779 121.223 0.214 0.000 2.349 416 L HA -0.118 4.221 4.340 -0.001 0.000 0.220 416 L C 2.319 179.266 176.870 0.128 0.000 1.130 416 L CA 1.515 56.450 54.840 0.158 0.000 0.791 416 L CB -0.830 41.296 42.059 0.111 0.000 0.918 416 L HN 0.496 nan 8.230 nan 0.000 0.444 417 D N -0.472 120.010 120.400 0.137 0.000 2.317 417 D HA -0.183 4.456 4.640 -0.001 0.000 0.211 417 D C 1.546 177.870 176.300 0.040 0.000 0.966 417 D CA 0.910 54.962 54.000 0.088 0.000 0.876 417 D CB 0.117 40.972 40.800 0.092 0.000 0.927 417 D HN 0.476 nan 8.370 nan 0.000 0.519 418 Q N -1.672 118.143 119.800 0.026 0.000 2.046 418 Q HA 0.239 4.579 4.340 -0.001 0.000 0.226 418 Q C -0.583 175.102 176.000 -0.526 0.000 0.755 418 Q CA -0.170 55.475 55.803 -0.264 0.000 0.924 418 Q CB 1.222 29.724 28.738 -0.393 0.000 1.188 418 Q HN 0.097 nan 8.270 nan 0.000 0.450 419 F N -0.456 119.547 119.950 0.088 0.000 2.640 419 F HA 0.422 4.948 4.527 -0.001 0.000 0.324 419 F C 1.006 176.835 175.800 0.048 0.000 1.077 419 F CA -1.060 56.983 58.000 0.071 0.000 0.965 419 F CB 1.026 40.082 39.000 0.095 0.000 1.351 419 F HN -0.391 nan 8.300 nan 0.000 0.487 420 K N 0.619 121.164 120.400 0.241 0.000 2.228 420 K HA 0.099 4.418 4.320 -0.001 0.000 0.202 420 K C -0.535 176.110 176.600 0.076 0.000 1.051 420 K CA 0.698 57.055 56.287 0.116 0.000 0.960 420 K CB -0.608 31.937 32.500 0.074 0.000 0.743 420 K HN 0.833 nan 8.250 nan 0.000 0.458 421 N N -1.931 116.816 118.700 0.080 0.000 3.545 421 N HA -0.028 4.712 4.740 -0.001 0.000 0.227 421 N C 0.427 175.903 175.510 -0.057 0.000 1.380 421 N CA -0.684 52.337 53.050 -0.049 0.000 0.892 421 N CB -0.295 38.061 38.487 -0.218 0.000 1.441 421 N HN -0.132 nan 8.380 nan 0.000 0.497 422 F N -0.889 119.073 119.950 0.019 0.000 2.333 422 F HA 0.177 4.704 4.527 -0.001 0.000 0.300 422 F C 1.343 177.110 175.800 -0.054 0.000 1.083 422 F CA 0.914 58.892 58.000 -0.038 0.000 1.395 422 F CB -0.632 38.360 39.000 -0.014 0.000 1.056 422 F HN 0.570 nan 8.300 nan 0.000 0.529 423 E N 0.634 120.693 120.200 -0.236 0.000 2.072 423 E HA -0.217 4.132 4.350 -0.001 0.000 0.191 423 E C 2.268 178.859 176.600 -0.015 0.000 0.985 423 E CA 1.394 57.763 56.400 -0.051 0.000 0.801 423 E CB -0.470 29.121 29.700 -0.182 0.000 0.750 423 E HN 0.684 nan 8.360 nan 0.000 0.452 424 Q N 0.853 120.626 119.800 -0.045 0.000 2.124 424 Q HA -0.209 4.130 4.340 -0.001 0.000 0.202 424 Q C 2.289 178.257 176.000 -0.053 0.000 0.977 424 Q CA 1.367 57.178 55.803 0.012 0.000 0.850 424 Q CB 0.003 28.796 28.738 0.091 0.000 0.901 424 Q HN 0.116 nan 8.270 nan 0.000 0.429 425 R N -0.512 119.824 120.500 -0.273 0.000 2.081 425 R HA -0.123 4.216 4.340 -0.001 0.000 0.235 425 R C 2.173 178.323 176.300 -0.250 0.000 1.131 425 R CA 1.616 57.258 56.100 -0.763 0.000 0.960 425 R CB -0.583 29.167 30.300 -0.917 0.000 0.856 425 R HN 0.393 nan 8.270 nan 0.000 0.436 426 G N 0.491 109.259 108.800 -0.054 0.000 2.408 426 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.217 426 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.217 426 G C 1.096 176.080 174.900 0.139 0.000 1.150 426 G CA 0.599 45.744 45.100 0.076 0.000 0.776 426 G HN 0.335 nan 8.290 nan 0.000 0.542 427 N N 0.640 119.386 118.700 0.078 0.000 2.188 427 N HA -0.067 4.672 4.740 -0.001 0.000 0.184 427 N C 2.048 177.598 175.510 0.068 0.000 1.018 427 N CA 1.289 54.381 53.050 0.070 0.000 0.858 427 N CB -0.273 38.241 38.487 0.046 0.000 0.989 427 N HN 0.464 nan 8.380 nan 0.000 0.426 428 E N 0.629 120.877 120.200 0.079 0.000 2.051 428 E HA -0.148 4.201 4.350 -0.001 0.000 0.192 428 E C 1.762 178.414 176.600 0.087 0.000 0.991 428 E CA 0.873 57.332 56.400 0.099 0.000 0.799 428 E CB -0.400 29.410 29.700 0.183 0.000 0.748 428 E HN 0.319 nan 8.360 nan 0.000 0.449 429 F N 0.555 120.489 119.950 -0.028 0.000 2.171 429 F HA -0.068 4.458 4.527 -0.001 0.000 0.300 429 F C 1.980 177.772 175.800 -0.013 0.000 1.090 429 F CA 1.593 59.587 58.000 -0.010 0.000 1.293 429 F CB -0.627 38.376 39.000 0.006 0.000 1.013 429 F HN 0.134 nan 8.300 nan 0.000 0.486 430 A N 0.836 123.666 122.820 0.016 0.000 1.858 430 A HA -0.215 4.105 4.320 -0.001 0.000 0.216 430 A C 2.411 179.869 177.584 -0.210 0.000 1.190 430 A CA 1.811 53.789 52.037 -0.099 0.000 0.617 430 A CB -0.978 18.038 19.000 0.026 0.000 0.827 430 A HN 0.468 nan 8.150 nan 0.000 0.443 431 R N -0.370 120.050 120.500 -0.132 0.000 2.083 431 R HA -0.100 4.240 4.340 -0.001 0.000 0.237 431 R C 2.040 178.210 176.300 -0.218 0.000 1.137 431 R CA 1.751 57.765 56.100 -0.143 0.000 0.951 431 R CB -0.435 29.820 30.300 -0.075 0.000 0.851 431 R HN 0.530 nan 8.270 nan 0.000 0.434 432 L N 0.092 121.177 121.223 -0.231 0.000 2.083 432 L HA -0.114 4.225 4.340 -0.001 0.000 0.209 432 L C 2.680 179.271 176.870 -0.464 0.000 1.083 432 L CA 1.161 55.839 54.840 -0.269 0.000 0.752 432 L CB -0.523 41.425 42.059 -0.185 0.000 0.899 432 L HN 0.357 nan 8.230 nan 0.000 0.433 433 A N -0.034 122.377 122.820 -0.681 0.000 1.930 433 A HA -0.213 4.107 4.320 -0.001 0.000 0.217 433 A C 2.271 179.279 177.584 -0.961 0.000 1.175 433 A CA 1.586 52.936 52.037 -1.144 0.000 0.627 433 A CB -0.270 18.047 19.000 -1.139 0.000 0.815 433 A HN 0.187 nan 8.150 nan 0.000 0.443 434 K N -0.226 119.825 120.400 -0.582 0.000 2.148 434 K HA -0.101 4.219 4.320 -0.001 0.000 0.204 434 K C 2.014 178.401 176.600 -0.355 0.000 1.050 434 K CA 1.486 57.519 56.287 -0.423 0.000 0.942 434 K CB -0.072 32.259 32.500 -0.282 0.000 0.724 434 K HN 0.687 nan 8.250 nan 0.000 0.446 435 E N -0.079 119.929 120.200 -0.320 0.000 2.158 435 E HA -0.090 4.260 4.350 -0.001 0.000 0.191 435 E C 1.440 177.900 176.600 -0.233 0.000 0.982 435 E CA 0.733 56.994 56.400 -0.231 0.000 0.823 435 E CB 0.222 29.814 29.700 -0.181 0.000 0.766 435 E HN 0.236 nan 8.360 nan 0.000 0.468 436 L N -0.160 120.863 121.223 -0.333 0.000 2.463 436 L HA 0.270 4.609 4.340 -0.001 0.000 0.219 436 L C 1.417 178.140 176.870 -0.245 0.000 1.088 436 L CA 0.145 54.826 54.840 -0.264 0.000 0.849 436 L CB 0.418 42.334 42.059 -0.239 0.000 1.012 436 L HN 0.018 nan 8.230 nan 0.000 0.468 437 G N 0.000 108.498 108.800 -0.503 0.000 5.446 437 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 437 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 437 G CA 0.000 44.965 45.100 -0.225 0.000 0.502 437 G HN 0.000 nan 8.290 nan 0.000 0.925