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 2uag_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 LQQYRAAXLR DATA SEQUENCE IYENAKVCVV NADDALTMPX XXXXERCVSF GVNMGDYHLN HXXXETWLRV 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 0.000 177.349 177.584 -0.391 0.000 1.274 1 A CA 0.000 51.893 52.037 -0.239 0.000 0.836 1 A CB 0.000 18.840 19.000 -0.268 0.000 0.831 2 D N -0.794 119.282 120.400 -0.540 0.000 2.620 2 D HA 0.647 5.293 4.640 0.009 0.000 0.252 2 D C -1.078 174.943 176.300 -0.466 0.000 1.207 2 D CA -0.109 53.657 54.000 -0.390 0.000 0.884 2 D CB 0.787 41.480 40.800 -0.179 0.000 1.262 2 D HN 0.364 nan 8.370 nan 0.000 0.552 3 Y N 1.254 121.610 120.300 0.094 0.000 2.584 3 Y HA 0.264 4.819 4.550 0.009 0.000 0.254 3 Y C 0.580 176.520 175.900 0.067 0.000 1.177 3 Y CA -0.530 57.643 58.100 0.122 0.000 1.216 3 Y CB 0.201 38.829 38.460 0.280 0.000 1.172 3 Y HN 0.270 nan 8.280 nan 0.000 0.529 4 Q N 0.776 120.644 119.800 0.113 0.000 2.274 4 Q HA 0.208 4.554 4.340 0.009 0.000 0.280 4 Q C 1.384 177.414 176.000 0.049 0.000 1.047 4 Q CA 1.108 56.954 55.803 0.071 0.000 0.907 4 Q CB 0.790 29.545 28.738 0.028 0.000 1.171 4 Q HN 0.726 nan 8.270 nan 0.000 0.381 5 G N 2.919 111.742 108.800 0.037 0.000 2.189 5 G HA2 -0.306 3.659 3.960 0.009 0.000 0.267 5 G HA3 -0.306 3.659 3.960 0.009 0.000 0.267 5 G C 0.155 175.059 174.900 0.007 0.000 0.975 5 G CA 0.399 45.507 45.100 0.013 0.000 0.644 5 G HN 0.477 nan 8.290 nan 0.000 0.537 6 K N 0.279 120.696 120.400 0.029 0.000 2.185 6 K HA 0.219 4.545 4.320 0.009 0.000 0.271 6 K C 0.199 176.772 176.600 -0.045 0.000 1.013 6 K CA -0.417 55.877 56.287 0.013 0.000 0.943 6 K CB 0.740 33.283 32.500 0.071 0.000 0.998 6 K HN 0.279 nan 8.250 nan 0.000 0.468 7 N N 1.862 120.523 118.700 -0.064 0.000 2.415 7 N HA 0.086 4.832 4.740 0.009 0.000 0.250 7 N C -1.241 174.182 175.510 -0.146 0.000 1.127 7 N CA -0.382 52.600 53.050 -0.113 0.000 0.945 7 N CB 0.484 38.913 38.487 -0.098 0.000 1.196 7 N HN 0.132 nan 8.380 nan 0.000 0.499 8 V N 3.940 123.719 119.914 -0.225 0.000 2.398 8 V HA 0.389 4.515 4.120 0.009 0.000 0.286 8 V C -0.121 175.808 176.094 -0.276 0.000 1.026 8 V CA -0.734 61.370 62.300 -0.326 0.000 0.868 8 V CB 1.575 32.999 31.823 -0.665 0.000 0.982 8 V HN 0.292 nan 8.190 nan 0.000 0.443 9 V N 6.375 126.174 119.914 -0.191 0.000 2.487 9 V HA 0.523 4.649 4.120 0.009 0.000 0.298 9 V C -0.300 175.758 176.094 -0.060 0.000 1.028 9 V CA -0.415 61.832 62.300 -0.089 0.000 0.860 9 V CB 1.931 33.752 31.823 -0.004 0.000 0.991 9 V HN 0.686 nan 8.190 nan 0.000 0.427 10 I N 5.658 126.220 120.570 -0.013 0.000 2.354 10 I HA 0.486 4.661 4.170 0.009 0.000 0.292 10 I C -0.506 175.641 176.117 0.049 0.000 0.989 10 I CA -0.403 60.910 61.300 0.022 0.000 1.188 10 I CB 1.719 39.750 38.000 0.053 0.000 1.342 10 I HN 0.418 nan 8.210 nan 0.000 0.457 11 I N 5.639 126.227 120.570 0.029 0.000 2.330 11 I HA 0.614 4.789 4.170 0.009 0.000 0.289 11 I C 0.324 176.453 176.117 0.020 0.000 1.001 11 I CA -0.336 60.974 61.300 0.016 0.000 1.193 11 I CB 1.348 39.333 38.000 -0.026 0.000 1.345 11 I HN 0.811 nan 8.210 nan 0.000 0.461 12 G N 5.792 114.612 108.800 0.032 0.000 3.363 12 G HA2 -0.087 3.878 3.960 0.009 0.000 0.685 12 G HA3 -0.087 3.878 3.960 0.009 0.000 0.685 12 G C -0.936 173.998 174.900 0.057 0.000 1.199 12 G CA -0.965 44.158 45.100 0.038 0.000 0.946 12 G HN 0.555 nan 8.290 nan 0.000 0.558 13 L N 2.839 124.097 121.223 0.058 0.000 3.096 13 L HA 0.500 4.845 4.340 0.009 0.000 0.247 13 L C 1.398 178.309 176.870 0.067 0.000 1.321 13 L CA 0.344 55.222 54.840 0.063 0.000 1.044 13 L CB 0.018 42.111 42.059 0.057 0.000 1.434 13 L HN 0.815 nan 8.230 nan 0.000 0.533 14 G N -0.895 107.954 108.800 0.081 0.000 2.890 14 G HA2 0.316 4.282 3.960 0.009 0.000 0.189 14 G HA3 0.316 4.282 3.960 0.009 0.000 0.189 14 G C 0.886 175.850 174.900 0.106 0.000 1.342 14 G CA -0.550 44.611 45.100 0.102 0.000 1.026 14 G HN 0.072 nan 8.290 nan 0.000 0.579 15 L N -0.271 121.040 121.223 0.147 0.000 2.012 15 L HA -0.133 4.212 4.340 0.009 0.000 0.210 15 L C 3.161 180.091 176.870 0.100 0.000 1.073 15 L CA 1.916 56.838 54.840 0.137 0.000 0.748 15 L CB -0.986 41.201 42.059 0.213 0.000 0.891 15 L HN 0.469 nan 8.230 nan 0.000 0.431 16 T N -0.203 114.407 114.554 0.093 0.000 2.737 16 T HA -0.111 4.244 4.350 0.009 0.000 0.265 16 T C 1.862 176.599 174.700 0.062 0.000 1.038 16 T CA 1.355 63.489 62.100 0.057 0.000 1.144 16 T CB -0.622 68.272 68.868 0.042 0.000 0.866 16 T HN 0.557 nan 8.240 nan 0.000 0.434 17 G N 1.317 110.160 108.800 0.073 0.000 2.418 17 G HA2 -0.131 3.835 3.960 0.009 0.000 0.217 17 G HA3 -0.131 3.835 3.960 0.009 0.000 0.217 17 G C 1.505 176.461 174.900 0.093 0.000 1.158 17 G CA 0.488 45.636 45.100 0.081 0.000 0.771 17 G HN 0.435 nan 8.290 nan 0.000 0.545 18 L N 1.426 122.700 121.223 0.085 0.000 2.093 18 L HA -0.085 4.260 4.340 0.009 0.000 0.208 18 L C 3.302 180.227 176.870 0.090 0.000 1.085 18 L CA 1.433 56.324 54.840 0.085 0.000 0.755 18 L CB -0.367 41.736 42.059 0.072 0.000 0.904 18 L HN 0.445 nan 8.230 nan 0.000 0.435 19 S N -1.306 114.442 115.700 0.080 0.000 2.402 19 S HA -0.178 4.298 4.470 0.009 0.000 0.229 19 S C 2.065 176.722 174.600 0.094 0.000 1.021 19 S CA 1.054 59.300 58.200 0.075 0.000 0.974 19 S CB -0.861 62.366 63.200 0.045 0.000 0.800 19 S HN 0.437 nan 8.310 nan 0.000 0.484 20 C N 1.101 120.461 119.300 0.101 0.000 2.440 20 C HA 0.103 4.568 4.460 0.009 0.000 0.278 20 C C 2.764 177.946 174.990 0.319 0.000 1.295 20 C CA 0.461 59.581 59.018 0.170 0.000 1.738 20 C CB -1.391 26.470 27.740 0.203 0.000 1.987 20 C HN 0.527 nan 8.230 nan 0.000 0.492 21 V N 1.566 121.623 119.914 0.238 0.000 2.287 21 V HA -0.245 3.880 4.120 0.009 0.000 0.248 21 V C 2.124 178.333 176.094 0.191 0.000 1.053 21 V CA 2.393 64.825 62.300 0.220 0.000 1.027 21 V CB -0.697 31.208 31.823 0.137 0.000 0.646 21 V HN 0.474 nan 8.190 nan 0.000 0.447 22 D N -0.757 119.729 120.400 0.144 0.000 2.144 22 D HA -0.168 4.478 4.640 0.009 0.000 0.199 22 D C 1.847 178.203 176.300 0.094 0.000 0.984 22 D CA 1.218 55.281 54.000 0.105 0.000 0.834 22 D CB -0.354 40.500 40.800 0.091 0.000 0.955 22 D HN 0.472 nan 8.370 nan 0.000 0.465 23 F N 0.512 120.417 119.950 -0.074 0.000 2.095 23 F HA -0.217 4.316 4.527 0.009 0.000 0.298 23 F C 1.960 177.586 175.800 -0.290 0.000 1.104 23 F CA 1.362 59.231 58.000 -0.218 0.000 1.232 23 F CB -0.346 38.432 39.000 -0.370 0.000 0.987 23 F HN -0.166 nan 8.300 nan 0.000 0.475 24 F N 0.406 120.376 119.950 0.032 0.000 2.163 24 F HA -0.105 4.427 4.527 0.009 0.000 0.297 24 F C 2.236 177.975 175.800 -0.102 0.000 1.094 24 F CA 1.239 59.181 58.000 -0.097 0.000 1.290 24 F CB -1.011 37.989 39.000 -0.001 0.000 1.017 24 F HN -0.077 nan 8.300 nan 0.000 0.483 25 L N -0.505 120.782 121.223 0.107 0.000 2.127 25 L HA -0.210 4.135 4.340 0.009 0.000 0.211 25 L C 2.507 179.369 176.870 -0.013 0.000 1.089 25 L CA 1.149 56.019 54.840 0.050 0.000 0.757 25 L CB -0.945 41.147 42.059 0.055 0.000 0.899 25 L HN 0.133 nan 8.230 nan 0.000 0.434 26 A N -0.277 122.502 122.820 -0.068 0.000 2.209 26 A HA -0.072 4.253 4.320 0.009 0.000 0.212 26 A C 2.089 179.594 177.584 -0.133 0.000 1.158 26 A CA 0.772 52.753 52.037 -0.093 0.000 0.742 26 A CB -0.313 18.626 19.000 -0.102 0.000 0.790 26 A HN 0.370 nan 8.150 nan 0.000 0.472 27 R N -1.438 118.962 120.500 -0.166 0.000 2.432 27 R HA 0.269 4.615 4.340 0.009 0.000 0.260 27 R C 1.007 177.289 176.300 -0.031 0.000 0.935 27 R CA 0.456 56.478 56.100 -0.131 0.000 1.080 27 R CB 0.241 30.419 30.300 -0.203 0.000 1.155 27 R HN 0.553 nan 8.270 nan 0.000 0.531 28 G N 1.034 109.827 108.800 -0.012 0.000 2.147 28 G HA2 -0.235 3.731 3.960 0.009 0.000 0.244 28 G HA3 -0.235 3.731 3.960 0.009 0.000 0.244 28 G C -0.136 174.787 174.900 0.038 0.000 1.005 28 G CA 0.032 45.139 45.100 0.011 0.000 0.713 28 G HN 0.147 nan 8.290 nan 0.000 0.515 29 V N 0.922 120.881 119.914 0.076 0.000 2.409 29 V HA 0.582 4.707 4.120 0.009 0.000 0.291 29 V C 0.392 176.531 176.094 0.075 0.000 1.020 29 V CA -0.246 62.112 62.300 0.095 0.000 0.848 29 V CB 1.905 33.853 31.823 0.208 0.000 0.990 29 V HN 0.289 nan 8.190 nan 0.000 0.430 30 T N 7.777 122.337 114.554 0.009 0.000 2.762 30 T HA 0.380 4.736 4.350 0.009 0.000 0.303 30 T C -2.083 172.570 174.700 -0.079 0.000 0.977 30 T CA -0.781 61.311 62.100 -0.014 0.000 0.961 30 T CB 1.054 69.906 68.868 -0.027 0.000 0.944 30 T HN 0.538 nan 8.240 nan 0.000 0.481 31 P HA 0.404 nan 4.420 nan 0.000 0.277 31 P C -0.444 176.766 177.300 -0.150 0.000 1.271 31 P CA -0.844 62.148 63.100 -0.179 0.000 0.795 31 P CB 1.264 32.849 31.700 -0.191 0.000 1.101 32 R N -0.430 119.953 120.500 -0.194 0.000 2.664 32 R HA 0.612 4.958 4.340 0.009 0.000 0.286 32 R C -0.564 175.756 176.300 0.033 0.000 0.967 32 R CA -1.073 54.917 56.100 -0.182 0.000 0.933 32 R CB 1.897 31.841 30.300 -0.594 0.000 1.146 32 R HN 0.366 nan 8.270 nan 0.000 0.468 33 V N -0.281 119.752 119.914 0.199 0.000 2.680 33 V HA 0.729 4.854 4.120 0.009 0.000 0.309 33 V C -0.288 175.997 176.094 0.318 0.000 1.052 33 V CA -1.080 61.347 62.300 0.211 0.000 0.908 33 V CB 1.728 33.636 31.823 0.140 0.000 1.001 33 V HN 0.866 nan 8.190 nan 0.000 0.431 34 M N 1.515 121.240 119.600 0.208 0.000 2.593 34 M HA 0.804 5.289 4.480 0.009 0.000 0.290 34 M C -1.792 174.555 176.300 0.079 0.000 1.244 34 M CA -0.372 55.019 55.300 0.151 0.000 0.857 34 M CB 2.812 35.466 32.600 0.090 0.000 1.738 34 M HN 0.756 nan 8.290 nan 0.000 0.461 35 D N 0.827 121.263 120.400 0.061 0.000 2.927 35 D HA 0.188 4.834 4.640 0.009 0.000 0.219 35 D C 0.262 176.573 176.300 0.017 0.000 1.248 35 D CA 0.007 54.024 54.000 0.028 0.000 0.861 35 D CB 2.699 43.518 40.800 0.031 0.000 1.677 35 D HN 0.913 nan 8.370 nan 0.000 0.511 36 T N 0.512 115.068 114.554 0.004 0.000 3.007 36 T HA 0.053 4.408 4.350 0.009 0.000 0.270 36 T C 0.939 175.642 174.700 0.004 0.000 1.107 36 T CA 0.517 62.622 62.100 0.009 0.000 1.118 36 T CB 0.136 69.014 68.868 0.018 0.000 0.889 36 T HN 0.203 nan 8.240 nan 0.000 0.506 37 R N -0.004 120.498 120.500 0.003 0.000 2.459 37 R HA 0.539 4.884 4.340 0.009 0.000 0.281 37 R C 1.310 177.598 176.300 -0.019 0.000 1.050 37 R CA -0.416 55.683 56.100 -0.002 0.000 1.055 37 R CB 0.753 31.058 30.300 0.009 0.000 1.045 37 R HN 0.169 nan 8.270 nan 0.000 0.495 38 M N 0.270 119.854 119.600 -0.026 0.000 2.254 38 M HA -0.041 4.444 4.480 0.009 0.000 0.265 38 M C 0.211 176.492 176.300 -0.031 0.000 1.066 38 M CA 1.455 56.730 55.300 -0.042 0.000 1.123 38 M CB 0.379 32.953 32.600 -0.042 0.000 1.388 38 M HN 0.494 nan 8.290 nan 0.000 0.425 39 T N 2.073 116.618 114.554 -0.015 0.000 3.327 39 T HA 0.317 4.673 4.350 0.009 0.000 0.373 39 T C -2.344 172.359 174.700 0.004 0.000 1.589 39 T CA -1.100 60.996 62.100 -0.007 0.000 1.497 39 T CB 0.598 69.462 68.868 -0.007 0.000 1.032 39 T HN 0.104 nan 8.240 nan 0.000 0.640 40 P HA 0.223 nan 4.420 nan 0.000 0.273 40 P C -1.892 175.422 177.300 0.023 0.000 1.250 40 P CA -1.200 61.914 63.100 0.022 0.000 0.793 40 P CB 0.623 32.341 31.700 0.029 0.000 1.011 41 P HA -0.107 nan 4.420 nan 0.000 0.217 41 P C 1.360 178.674 177.300 0.023 0.000 1.150 41 P CA 1.704 64.817 63.100 0.022 0.000 0.832 41 P CB -0.460 31.253 31.700 0.022 0.000 0.787 42 G N -0.613 108.207 108.800 0.035 0.000 3.042 42 G HA2 -0.023 3.942 3.960 0.009 0.000 0.212 42 G HA3 -0.023 3.942 3.960 0.009 0.000 0.212 42 G C 1.287 176.209 174.900 0.037 0.000 1.166 42 G CA -0.149 44.974 45.100 0.038 0.000 0.767 42 G HN 0.132 nan 8.290 nan 0.000 0.546 43 L N 1.857 123.099 121.223 0.031 0.000 2.017 43 L HA -0.093 4.253 4.340 0.009 0.000 0.208 43 L C 2.517 179.404 176.870 0.027 0.000 1.073 43 L CA 2.537 57.395 54.840 0.030 0.000 0.745 43 L CB -0.450 41.622 42.059 0.020 0.000 0.894 43 L HN 0.456 nan 8.230 nan 0.000 0.432 44 D N -0.931 119.482 120.400 0.021 0.000 2.218 44 D HA -0.262 4.384 4.640 0.009 0.000 0.204 44 D C 1.546 177.859 176.300 0.023 0.000 0.976 44 D CA 1.287 55.298 54.000 0.019 0.000 0.853 44 D CB -0.123 40.685 40.800 0.013 0.000 0.939 44 D HN 0.420 nan 8.370 nan 0.000 0.481 45 K N -0.509 119.907 120.400 0.027 0.000 2.404 45 K HA 0.128 4.453 4.320 0.009 0.000 0.194 45 K C 0.378 177.000 176.600 0.038 0.000 1.023 45 K CA -0.582 55.723 56.287 0.031 0.000 1.094 45 K CB 0.436 32.955 32.500 0.032 0.000 0.841 45 K HN 0.051 nan 8.250 nan 0.000 0.523 46 L N 2.641 123.888 121.223 0.041 0.000 2.410 46 L HA 0.141 4.487 4.340 0.009 0.000 0.273 46 L C -2.340 174.555 176.870 0.042 0.000 1.144 46 L CA -1.957 52.911 54.840 0.048 0.000 0.863 46 L CB 0.156 42.247 42.059 0.053 0.000 1.140 46 L HN -0.095 nan 8.230 nan 0.000 0.463 47 P HA 0.027 nan 4.420 nan 0.000 0.265 47 P C 0.275 177.596 177.300 0.035 0.000 1.187 47 P CA 0.023 63.145 63.100 0.036 0.000 0.766 47 P CB 0.451 32.173 31.700 0.038 0.000 0.820 48 E N 2.056 122.273 120.200 0.029 0.000 2.160 48 E HA -0.232 4.123 4.350 0.009 0.000 0.195 48 E C 1.726 178.342 176.600 0.027 0.000 0.991 48 E CA 1.529 57.945 56.400 0.027 0.000 0.810 48 E CB -0.288 29.425 29.700 0.022 0.000 0.742 48 E HN 0.534 nan 8.360 nan 0.000 0.466 49 A N 1.164 123.998 122.820 0.023 0.000 2.119 49 A HA -0.012 4.314 4.320 0.009 0.000 0.217 49 A C 1.197 178.789 177.584 0.013 0.000 1.153 49 A CA 0.356 52.403 52.037 0.016 0.000 0.692 49 A CB 0.147 19.155 19.000 0.012 0.000 0.799 49 A HN 0.013 nan 8.150 nan 0.000 0.458 50 V N 1.830 121.759 119.914 0.025 0.000 2.385 50 V HA 0.102 4.227 4.120 0.009 0.000 0.269 50 V C 0.176 176.295 176.094 0.041 0.000 1.043 50 V CA -0.641 61.673 62.300 0.023 0.000 0.906 50 V CB 0.876 32.723 31.823 0.041 0.000 0.995 50 V HN 0.479 nan 8.190 nan 0.000 0.467 51 E N 5.541 125.749 120.200 0.013 0.000 2.414 51 E HA 0.232 4.587 4.350 0.009 0.000 0.263 51 E C 0.037 176.769 176.600 0.221 0.000 1.000 51 E CA -0.107 56.339 56.400 0.077 0.000 0.914 51 E CB 0.598 30.252 29.700 -0.078 0.000 0.948 51 E HN 0.582 nan 8.360 nan 0.000 0.444 52 R N 2.557 123.273 120.500 0.361 0.000 2.698 52 R HA 0.408 4.753 4.340 0.009 0.000 0.275 52 R C -1.780 174.716 176.300 0.326 0.000 1.001 52 R CA -0.864 55.463 56.100 0.378 0.000 0.896 52 R CB 1.085 31.494 30.300 0.182 0.000 1.218 52 R HN 0.691 nan 8.270 nan 0.000 0.462 53 H N 0.775 119.872 119.070 0.044 0.000 2.658 53 H HA 0.514 5.076 4.556 0.009 0.000 0.337 53 H C -1.138 174.103 175.328 -0.144 0.000 1.009 53 H CA -0.105 55.792 56.048 -0.252 0.000 1.231 53 H CB 1.576 30.838 29.762 -0.833 0.000 1.508 53 H HN 0.956 nan 8.280 nan 0.000 0.517 54 T N 1.396 115.687 114.554 -0.439 0.000 2.916 54 T HA 0.558 4.913 4.350 0.009 0.000 0.292 54 T C 0.937 175.458 174.700 -0.298 0.000 1.064 54 T CA -0.325 61.636 62.100 -0.232 0.000 1.011 54 T CB 1.644 70.441 68.868 -0.118 0.000 1.152 54 T HN 1.095 nan 8.240 nan 0.000 0.510 55 G N 0.520 109.244 108.800 -0.127 0.000 2.194 55 G HA2 0.019 3.985 3.960 0.009 0.000 0.236 55 G HA3 0.019 3.985 3.960 0.009 0.000 0.236 55 G C 0.207 175.091 174.900 -0.028 0.000 0.987 55 G CA 0.508 45.555 45.100 -0.089 0.000 0.635 55 G HN 2.167 nan 8.290 nan 0.000 0.520 56 S N -1.431 114.286 115.700 0.029 0.000 2.643 56 S HA 0.647 5.123 4.470 0.009 0.000 0.266 56 S C -0.742 173.911 174.600 0.089 0.000 1.130 56 S CA -0.958 57.291 58.200 0.081 0.000 0.817 56 S CB 1.322 64.586 63.200 0.107 0.000 1.107 56 S HN 0.840 nan 8.310 nan 0.000 0.471 57 L N 1.983 123.190 121.223 -0.027 0.000 2.371 57 L HA 0.472 4.817 4.340 0.009 0.000 0.272 57 L C 0.129 176.822 176.870 -0.295 0.000 1.124 57 L CA -0.670 54.077 54.840 -0.155 0.000 0.816 57 L CB 0.507 42.431 42.059 -0.224 0.000 1.129 57 L HN 0.725 nan 8.230 nan 0.000 0.448 58 N N 2.108 120.476 118.700 -0.552 0.000 2.485 58 N HA 0.057 4.803 4.740 0.009 0.000 0.243 58 N C 0.196 175.509 175.510 -0.328 0.000 0.987 58 N CA -0.258 52.341 53.050 -0.752 0.000 0.940 58 N CB 1.086 38.647 38.487 -1.544 0.000 1.122 58 N HN 0.497 nan 8.380 nan 0.000 0.509 59 D N 2.566 122.849 120.400 -0.195 0.000 2.219 59 D HA -0.118 4.528 4.640 0.009 0.000 0.205 59 D C 0.973 177.261 176.300 -0.020 0.000 0.970 59 D CA 1.035 54.990 54.000 -0.075 0.000 0.851 59 D CB 0.506 41.280 40.800 -0.044 0.000 0.943 59 D HN 0.692 nan 8.370 nan 0.000 0.488 60 E N -0.017 120.166 120.200 -0.028 0.000 2.058 60 E HA -0.183 4.172 4.350 0.009 0.000 0.194 60 E C 2.002 178.729 176.600 0.212 0.000 0.997 60 E CA 0.846 57.292 56.400 0.077 0.000 0.801 60 E CB -0.092 29.666 29.700 0.096 0.000 0.746 60 E HN 0.356 nan 8.360 nan 0.000 0.450 61 W N 0.848 122.087 121.300 -0.101 0.000 2.409 61 W HA -0.006 4.659 4.660 0.009 0.000 0.299 61 W C 2.081 178.553 176.519 -0.079 0.000 1.203 61 W CA 0.398 57.689 57.345 -0.089 0.000 1.298 61 W CB -0.944 28.449 29.460 -0.112 0.000 1.127 61 W HN 0.062 nan 8.180 nan 0.000 0.528 62 L N -0.440 120.872 121.223 0.147 0.000 2.046 62 L HA -0.236 4.109 4.340 0.009 0.000 0.208 62 L C 2.318 179.212 176.870 0.041 0.000 1.077 62 L CA 0.987 55.864 54.840 0.061 0.000 0.747 62 L CB -0.747 41.320 42.059 0.013 0.000 0.896 62 L HN -0.107 nan 8.230 nan 0.000 0.432 63 M N -0.896 118.729 119.600 0.042 0.000 2.492 63 M HA 0.007 4.492 4.480 0.009 0.000 0.262 63 M C 2.138 178.453 176.300 0.026 0.000 1.090 63 M CA 0.898 56.216 55.300 0.029 0.000 1.110 63 M CB -1.020 31.595 32.600 0.025 0.000 1.407 63 M HN 0.213 nan 8.290 nan 0.000 0.470 64 A N 0.044 122.885 122.820 0.035 0.000 2.218 64 A HA 0.480 4.805 4.320 0.009 0.000 0.209 64 A C 1.224 178.802 177.584 -0.011 0.000 1.168 64 A CA 0.348 52.392 52.037 0.012 0.000 0.804 64 A CB -0.351 18.657 19.000 0.012 0.000 0.834 64 A HN 0.344 nan 8.150 nan 0.000 0.482 65 A N -0.072 122.744 122.820 -0.006 0.000 2.371 65 A HA 0.437 4.762 4.320 0.009 0.000 0.257 65 A C 0.442 178.014 177.584 -0.019 0.000 1.089 65 A CA -0.130 51.890 52.037 -0.028 0.000 0.794 65 A CB 0.323 19.309 19.000 -0.023 0.000 1.029 65 A HN 0.267 nan 8.150 nan 0.000 0.488 66 D N -0.322 120.062 120.400 -0.027 0.000 2.240 66 D HA 0.108 4.754 4.640 0.009 0.000 0.206 66 D C -0.204 176.102 176.300 0.010 0.000 0.963 66 D CA 1.106 55.104 54.000 -0.003 0.000 0.863 66 D CB 0.219 41.022 40.800 0.004 0.000 0.973 66 D HN 0.302 nan 8.370 nan 0.000 0.501 67 L N 0.701 121.914 121.223 -0.016 0.000 2.470 67 L HA 0.409 4.754 4.340 0.009 0.000 0.268 67 L C -1.598 175.242 176.870 -0.050 0.000 0.964 67 L CA -0.477 54.358 54.840 -0.009 0.000 0.839 67 L CB 2.217 44.282 42.059 0.009 0.000 1.276 67 L HN -0.238 nan 8.230 nan 0.000 0.403 68 I N 5.437 125.995 120.570 -0.019 0.000 2.339 68 I HA 0.438 4.613 4.170 0.009 0.000 0.290 68 I C -0.714 175.397 176.117 -0.010 0.000 0.994 68 I CA -0.866 60.420 61.300 -0.023 0.000 1.191 68 I CB 1.853 39.849 38.000 -0.007 0.000 1.343 68 I HN 0.254 nan 8.210 nan 0.000 0.458 69 V N 6.381 126.285 119.914 -0.016 0.000 2.311 69 V HA 0.491 4.617 4.120 0.009 0.000 0.275 69 V C 0.460 176.565 176.094 0.018 0.000 1.022 69 V CA -0.552 61.759 62.300 0.019 0.000 0.830 69 V CB 1.089 32.950 31.823 0.062 0.000 1.012 69 V HN 0.801 nan 8.190 nan 0.000 0.452 70 A N 4.010 126.837 122.820 0.012 0.000 2.260 70 A HA 0.667 4.993 4.320 0.009 0.000 0.308 70 A C 0.555 178.141 177.584 0.004 0.000 1.254 70 A CA -0.258 51.778 52.037 -0.001 0.000 0.874 70 A CB 0.510 19.504 19.000 -0.011 0.000 1.153 70 A HN 0.686 nan 8.150 nan 0.000 0.527 71 S N 3.747 119.450 115.700 0.004 0.000 2.573 71 S HA 0.200 4.676 4.470 0.009 0.000 0.277 71 S C -1.188 173.407 174.600 -0.008 0.000 1.346 71 S CA -0.443 57.763 58.200 0.010 0.000 1.034 71 S CB 0.486 63.699 63.200 0.021 0.000 0.879 71 S HN 0.714 nan 8.310 nan 0.000 0.528 72 P HA -0.031 nan 4.420 nan 0.000 0.225 72 P C 1.114 178.354 177.300 -0.099 0.000 1.148 72 P CA 0.821 63.940 63.100 0.032 0.000 0.779 72 P CB -0.187 31.591 31.700 0.130 0.000 0.780 73 G N -0.595 108.161 108.800 -0.074 0.000 2.920 73 G HA2 0.082 4.047 3.960 0.009 0.000 0.208 73 G HA3 0.082 4.047 3.960 0.009 0.000 0.208 73 G C 0.428 175.218 174.900 -0.183 0.000 1.159 73 G CA -0.034 44.987 45.100 -0.132 0.000 0.784 73 G HN 0.314 nan 8.290 nan 0.000 0.535 74 I N 0.926 121.395 120.570 -0.169 0.000 2.433 74 I HA 0.672 4.847 4.170 0.009 0.000 0.292 74 I C 0.249 176.265 176.117 -0.169 0.000 1.001 74 I CA -1.000 60.217 61.300 -0.138 0.000 1.119 74 I CB 1.762 39.709 38.000 -0.088 0.000 1.289 74 I HN 0.023 nan 8.210 nan 0.000 0.438 75 A N 7.011 129.741 122.820 -0.150 0.000 2.477 75 A HA 0.263 4.589 4.320 0.009 0.000 0.246 75 A C 1.004 178.564 177.584 -0.040 0.000 1.078 75 A CA -0.147 51.802 52.037 -0.147 0.000 0.770 75 A CB 0.225 19.148 19.000 -0.128 0.000 1.011 75 A HN 0.967 nan 8.150 nan 0.000 0.494 76 L N 1.981 123.183 121.223 -0.034 0.000 2.187 76 L HA -0.214 4.132 4.340 0.009 0.000 0.213 76 L C 2.618 179.510 176.870 0.038 0.000 1.100 76 L CA 1.462 56.309 54.840 0.012 0.000 0.765 76 L CB -0.273 41.800 42.059 0.024 0.000 0.904 76 L HN 0.860 nan 8.230 nan 0.000 0.437 77 A N -2.011 120.826 122.820 0.028 0.000 2.235 77 A HA -0.109 4.216 4.320 0.009 0.000 0.208 77 A C 0.956 178.564 177.584 0.039 0.000 1.172 77 A CA -0.050 52.010 52.037 0.038 0.000 0.786 77 A CB -0.724 18.298 19.000 0.037 0.000 0.804 77 A HN 0.343 nan 8.150 nan 0.000 0.479 78 H N 0.862 119.912 119.070 -0.034 0.000 3.034 78 H HA 0.036 4.597 4.556 0.009 0.000 0.324 78 H C -1.741 173.577 175.328 -0.017 0.000 1.015 78 H CA -1.147 54.882 56.048 -0.032 0.000 1.429 78 H CB 0.942 30.679 29.762 -0.041 0.000 1.429 78 H HN 0.040 nan 8.280 nan 0.000 0.585 79 P HA -0.149 nan 4.420 nan 0.000 0.216 79 P C 1.532 178.925 177.300 0.155 0.000 1.150 79 P CA 1.655 64.774 63.100 0.033 0.000 0.843 79 P CB 0.278 31.940 31.700 -0.063 0.000 0.787 80 S N -1.089 114.826 115.700 0.358 0.000 2.383 80 S HA -0.063 4.413 4.470 0.009 0.000 0.227 80 S C 1.803 176.454 174.600 0.084 0.000 1.026 80 S CA 0.959 59.259 58.200 0.167 0.000 0.981 80 S CB -0.895 62.349 63.200 0.074 0.000 0.818 80 S HN 0.128 nan 8.310 nan 0.000 0.472 81 L N 1.419 122.705 121.223 0.105 0.000 2.131 81 L HA -0.050 4.295 4.340 0.009 0.000 0.206 81 L C 2.602 179.502 176.870 0.050 0.000 1.087 81 L CA 1.113 55.980 54.840 0.045 0.000 0.767 81 L CB -0.549 41.529 42.059 0.032 0.000 0.917 81 L HN 0.387 nan 8.230 nan 0.000 0.441 82 S N 0.137 115.877 115.700 0.066 0.000 2.383 82 S HA -0.143 4.332 4.470 0.009 0.000 0.227 82 S C 2.148 176.770 174.600 0.036 0.000 1.026 82 S CA 0.823 59.050 58.200 0.045 0.000 0.981 82 S CB -0.457 62.769 63.200 0.043 0.000 0.818 82 S HN 0.368 nan 8.310 nan 0.000 0.472 83 A N 2.301 125.145 122.820 0.040 0.000 1.902 83 A HA 0.231 4.557 4.320 0.009 0.000 0.217 83 A C 2.526 180.125 177.584 0.024 0.000 1.181 83 A CA 1.797 53.852 52.037 0.030 0.000 0.623 83 A CB -1.445 17.573 19.000 0.031 0.000 0.818 83 A HN 0.761 nan 8.150 nan 0.000 0.443 84 A N -0.160 122.675 122.820 0.024 0.000 1.902 84 A HA 0.176 4.502 4.320 0.009 0.000 0.217 84 A C 2.529 180.125 177.584 0.019 0.000 1.181 84 A CA 2.099 54.147 52.037 0.019 0.000 0.623 84 A CB -1.092 17.917 19.000 0.015 0.000 0.818 84 A HN 1.080 nan 8.150 nan 0.000 0.443 85 A N 0.208 123.041 122.820 0.022 0.000 1.883 85 A HA -0.237 4.089 4.320 0.009 0.000 0.217 85 A C 1.759 179.354 177.584 0.019 0.000 1.186 85 A CA 2.043 54.093 52.037 0.021 0.000 0.624 85 A CB -0.729 18.285 19.000 0.023 0.000 0.822 85 A HN 0.457 nan 8.150 nan 0.000 0.444 86 D N -0.037 120.374 120.400 0.019 0.000 2.182 86 D HA -0.051 4.595 4.640 0.009 0.000 0.201 86 D C 1.898 178.206 176.300 0.015 0.000 0.986 86 D CA 1.458 55.468 54.000 0.016 0.000 0.847 86 D CB -0.323 40.487 40.800 0.017 0.000 0.942 86 D HN 0.458 nan 8.370 nan 0.000 0.467 87 A N -0.480 122.350 122.820 0.015 0.000 2.238 87 A HA 0.394 4.719 4.320 0.009 0.000 0.208 87 A C 1.735 179.327 177.584 0.014 0.000 1.177 87 A CA 1.043 53.088 52.037 0.014 0.000 0.804 87 A CB -0.246 18.763 19.000 0.014 0.000 0.823 87 A HN 0.249 nan 8.150 nan 0.000 0.482 88 G N -0.821 107.988 108.800 0.015 0.000 2.143 88 G HA2 -0.219 3.747 3.960 0.009 0.000 0.249 88 G HA3 -0.219 3.747 3.960 0.009 0.000 0.249 88 G C 0.081 174.992 174.900 0.018 0.000 0.981 88 G CA 0.190 45.299 45.100 0.016 0.000 0.665 88 G HN 0.476 nan 8.290 nan 0.000 0.528 89 I N 1.172 121.752 120.570 0.018 0.000 2.471 89 I HA 0.196 4.371 4.170 0.009 0.000 0.286 89 I C 1.000 177.131 176.117 0.023 0.000 1.079 89 I CA -0.324 60.987 61.300 0.019 0.000 1.398 89 I CB 1.044 39.053 38.000 0.015 0.000 1.403 89 I HN 0.253 nan 8.210 nan 0.000 0.530 90 E N 7.052 127.270 120.200 0.030 0.000 2.376 90 E HA 0.232 4.587 4.350 0.009 0.000 0.266 90 E C -1.001 175.620 176.600 0.036 0.000 1.009 90 E CA -0.075 56.349 56.400 0.039 0.000 0.902 90 E CB 0.643 30.377 29.700 0.057 0.000 0.972 90 E HN 0.416 nan 8.360 nan 0.000 0.439 91 I N 5.601 126.193 120.570 0.036 0.000 2.436 91 I HA 0.329 4.505 4.170 0.009 0.000 0.289 91 I C -0.294 175.847 176.117 0.040 0.000 1.010 91 I CA -0.879 60.439 61.300 0.031 0.000 1.098 91 I CB 1.622 39.636 38.000 0.023 0.000 1.266 91 I HN 0.355 nan 8.210 nan 0.000 0.434 92 V N 2.168 122.107 119.914 0.042 0.000 3.167 92 V HA 1.014 5.140 4.120 0.009 0.000 0.310 92 V C -0.201 175.914 176.094 0.035 0.000 1.207 92 V CA -0.480 61.848 62.300 0.047 0.000 1.059 92 V CB 1.522 33.386 31.823 0.069 0.000 1.079 92 V HN 0.751 nan 8.190 nan 0.000 0.446 93 G N -0.148 108.669 108.800 0.028 0.000 3.016 93 G HA2 0.496 4.462 3.960 0.009 0.000 0.270 93 G HA3 0.496 4.462 3.960 0.009 0.000 0.270 93 G C 0.184 175.078 174.900 -0.010 0.000 1.352 93 G CA 0.281 45.390 45.100 0.015 0.000 1.060 93 G HN 0.981 nan 8.290 nan 0.000 0.538 94 D N -0.752 119.629 120.400 -0.031 0.000 2.178 94 D HA -0.143 4.502 4.640 0.009 0.000 0.202 94 D C 2.109 178.362 176.300 -0.079 0.000 0.974 94 D CA 0.624 54.571 54.000 -0.088 0.000 0.841 94 D CB -0.024 40.725 40.800 -0.085 0.000 0.953 94 D HN 0.151 nan 8.370 nan 0.000 0.478 95 I N 1.310 121.853 120.570 -0.045 0.000 2.286 95 I HA -0.188 3.987 4.170 0.009 0.000 0.248 95 I C 2.485 178.632 176.117 0.050 0.000 1.115 95 I CA 1.012 62.304 61.300 -0.014 0.000 1.392 95 I CB -1.259 36.721 38.000 -0.034 0.000 1.065 95 I HN 0.085 nan 8.210 nan 0.000 0.418 96 E N 1.582 121.795 120.200 0.022 0.000 2.051 96 E HA -0.178 4.178 4.350 0.009 0.000 0.192 96 E C 2.288 178.900 176.600 0.020 0.000 0.991 96 E CA 1.322 57.743 56.400 0.035 0.000 0.799 96 E CB -0.392 29.332 29.700 0.041 0.000 0.748 96 E HN 0.462 nan 8.360 nan 0.000 0.449 97 L N -0.297 120.900 121.223 -0.044 0.000 2.042 97 L HA -0.129 4.216 4.340 0.009 0.000 0.210 97 L C 2.418 179.179 176.870 -0.183 0.000 1.076 97 L CA 1.431 56.176 54.840 -0.157 0.000 0.749 97 L CB -0.608 41.156 42.059 -0.491 0.000 0.893 97 L HN 0.201 nan 8.230 nan 0.000 0.432 98 F N 0.457 120.234 119.950 -0.289 0.000 2.069 98 F HA -0.280 4.253 4.527 0.010 0.000 0.298 98 F C 2.596 178.298 175.800 -0.164 0.000 1.113 98 F CA 1.704 59.552 58.000 -0.252 0.000 1.214 98 F CB -0.520 38.327 39.000 -0.255 0.000 0.978 98 F HN 0.051 nan 8.300 nan 0.000 0.474 99 C N 0.906 120.182 119.300 -0.040 0.000 2.413 99 C HA -0.170 4.295 4.460 0.009 0.000 0.277 99 C C 2.693 177.597 174.990 -0.144 0.000 1.265 99 C CA 1.223 60.183 59.018 -0.096 0.000 1.752 99 C CB -1.490 26.274 27.740 0.040 0.000 1.998 99 C HN 0.447 nan 8.230 nan 0.000 0.489 100 R N 0.562 121.013 120.500 -0.081 0.000 2.189 100 R HA -0.073 4.272 4.340 0.009 0.000 0.223 100 R C 1.831 178.093 176.300 -0.063 0.000 1.092 100 R CA 0.893 56.974 56.100 -0.031 0.000 0.989 100 R CB -0.095 30.241 30.300 0.059 0.000 0.876 100 R HN 0.605 nan 8.270 nan 0.000 0.457 101 E N 0.140 120.244 120.200 -0.159 0.000 2.340 101 E HA 0.146 4.501 4.350 0.009 0.000 0.198 101 E C 0.392 176.843 176.600 -0.247 0.000 0.961 101 E CA 0.172 56.484 56.400 -0.147 0.000 0.905 101 E CB 0.167 29.822 29.700 -0.075 0.000 0.884 101 E HN 0.175 nan 8.360 nan 0.000 0.491 102 A N 2.016 124.542 122.820 -0.489 0.000 2.540 102 A HA 0.036 4.361 4.320 0.009 0.000 0.239 102 A C 0.684 178.207 177.584 -0.102 0.000 1.061 102 A CA 0.299 52.051 52.037 -0.474 0.000 0.758 102 A CB 0.250 18.781 19.000 -0.782 0.000 0.991 102 A HN -0.054 nan 8.150 nan 0.000 0.502 103 Q N -0.006 119.834 119.800 0.065 0.000 2.165 103 Q HA 0.444 4.789 4.340 0.009 0.000 0.245 103 Q C -0.256 175.807 176.000 0.105 0.000 0.841 103 Q CA 0.528 56.371 55.803 0.068 0.000 1.078 103 Q CB 0.661 29.426 28.738 0.045 0.000 1.169 103 Q HN 0.859 nan 8.270 nan 0.000 0.475 104 A N 0.901 123.839 122.820 0.195 0.000 2.556 104 A HA 0.785 5.110 4.320 0.009 0.000 0.294 104 A C -2.706 174.990 177.584 0.186 0.000 1.091 104 A CA -1.547 50.562 52.037 0.120 0.000 0.704 104 A CB 1.062 20.024 19.000 -0.063 0.000 1.300 104 A HN -0.077 nan 8.150 nan 0.000 0.406 105 P HA 0.323 nan 4.420 nan 0.000 0.267 105 P C -0.953 176.462 177.300 0.192 0.000 1.200 105 P CA 0.436 63.607 63.100 0.118 0.000 0.772 105 P CB 0.273 32.011 31.700 0.065 0.000 0.855 106 I N 2.052 122.732 120.570 0.183 0.000 2.378 106 I HA 0.218 4.394 4.170 0.009 0.000 0.291 106 I C -0.316 175.872 176.117 0.119 0.000 0.992 106 I CA -0.995 60.430 61.300 0.208 0.000 1.154 106 I CB 1.789 39.919 38.000 0.217 0.000 1.315 106 I HN -0.035 nan 8.210 nan 0.000 0.448 107 V N 5.902 125.873 119.914 0.096 0.000 2.406 107 V HA 0.583 4.709 4.120 0.009 0.000 0.272 107 V C 0.391 176.503 176.094 0.030 0.000 1.043 107 V CA -0.348 61.980 62.300 0.047 0.000 0.915 107 V CB 1.236 33.071 31.823 0.020 0.000 0.988 107 V HN 0.821 nan 8.190 nan 0.000 0.466 108 A N 6.828 129.658 122.820 0.016 0.000 2.318 108 A HA 0.894 5.219 4.320 0.009 0.000 0.317 108 A C -0.806 176.757 177.584 -0.036 0.000 1.159 108 A CA -0.487 51.543 52.037 -0.011 0.000 0.799 108 A CB 0.726 19.722 19.000 -0.007 0.000 1.194 108 A HN 0.766 nan 8.150 nan 0.000 0.479 109 I N 1.900 122.436 120.570 -0.057 0.000 2.439 109 I HA 0.462 4.638 4.170 0.009 0.000 0.285 109 I C 0.190 176.258 176.117 -0.083 0.000 1.021 109 I CA -0.071 61.190 61.300 -0.065 0.000 1.091 109 I CB 2.359 40.321 38.000 -0.064 0.000 1.242 109 I HN 0.673 nan 8.210 nan 0.000 0.439 110 T N 3.477 117.971 114.554 -0.101 0.000 2.742 110 T HA 0.964 5.319 4.350 0.009 0.000 0.282 110 T C -0.569 174.077 174.700 -0.090 0.000 1.025 110 T CA -0.188 61.845 62.100 -0.111 0.000 1.020 110 T CB 1.998 70.770 68.868 -0.159 0.000 1.317 110 T HN 0.996 nan 8.240 nan 0.000 0.538 111 G N 0.254 108.998 108.800 -0.094 0.000 2.333 111 G HA2 0.194 4.159 3.960 0.009 0.000 0.330 111 G HA3 0.194 4.159 3.960 0.009 0.000 0.330 111 G C 0.444 175.336 174.900 -0.013 0.000 1.465 111 G CA 0.258 45.322 45.100 -0.059 0.000 0.996 111 G HN 0.634 nan 8.290 nan 0.000 0.655 112 S N 0.103 115.818 115.700 0.025 0.000 2.406 112 S HA 0.119 4.594 4.470 0.009 0.000 0.228 112 S C 0.850 175.486 174.600 0.060 0.000 1.020 112 S CA 0.944 59.205 58.200 0.101 0.000 0.965 112 S CB -0.163 63.118 63.200 0.136 0.000 0.798 112 S HN 0.562 nan 8.310 nan 0.000 0.488 113 N N -1.447 117.275 118.700 0.037 0.000 2.277 113 N HA 0.448 5.193 4.740 0.009 0.000 0.286 113 N C 0.256 175.784 175.510 0.030 0.000 1.140 113 N CA 0.413 53.478 53.050 0.024 0.000 0.799 113 N CB 1.923 40.410 38.487 0.000 0.000 1.596 113 N HN 0.219 nan 8.380 nan 0.000 0.473 114 G N 0.693 109.513 108.800 0.033 0.000 2.175 114 G HA2 -0.315 3.651 3.960 0.009 0.000 0.244 114 G HA3 -0.315 3.651 3.960 0.009 0.000 0.244 114 G C 0.983 175.887 174.900 0.008 0.000 0.982 114 G CA 0.569 45.691 45.100 0.037 0.000 0.641 114 G HN 0.564 nan 8.290 nan 0.000 0.527 115 K N 0.645 121.045 120.400 -0.001 0.000 2.009 115 K HA -0.053 4.273 4.320 0.009 0.000 0.210 115 K C 2.646 179.230 176.600 -0.027 0.000 1.049 115 K CA 1.786 58.058 56.287 -0.025 0.000 0.929 115 K CB -0.329 32.152 32.500 -0.032 0.000 0.714 115 K HN 0.335 nan 8.250 nan 0.000 0.440 116 S N 0.417 116.114 115.700 -0.005 0.000 2.383 116 S HA -0.103 4.373 4.470 0.009 0.000 0.227 116 S C 2.040 176.643 174.600 0.005 0.000 1.026 116 S CA 1.540 59.742 58.200 0.004 0.000 0.981 116 S CB -0.277 62.941 63.200 0.032 0.000 0.818 116 S HN 0.341 nan 8.310 nan 0.000 0.472 117 T N 2.022 116.593 114.554 0.027 0.000 2.708 117 T HA -0.053 4.302 4.350 0.009 0.000 0.266 117 T C 1.930 176.560 174.700 -0.117 0.000 1.037 117 T CA 1.268 63.385 62.100 0.028 0.000 1.146 117 T CB -0.368 68.555 68.868 0.091 0.000 0.865 117 T HN 0.190 nan 8.240 nan 0.000 0.435 118 V N 1.434 121.287 119.914 -0.102 0.000 2.453 118 V HA -0.152 3.974 4.120 0.009 0.000 0.247 118 V C 2.774 178.773 176.094 -0.159 0.000 1.048 118 V CA 1.821 64.030 62.300 -0.152 0.000 1.049 118 V CB -1.110 30.630 31.823 -0.137 0.000 0.672 118 V HN 0.518 nan 8.190 nan 0.000 0.457 119 T N -0.202 114.283 114.554 -0.116 0.000 2.684 119 T HA -0.214 4.141 4.350 0.009 0.000 0.267 119 T C 1.973 176.598 174.700 -0.125 0.000 1.036 119 T CA 2.253 64.294 62.100 -0.099 0.000 1.148 119 T CB -0.396 68.433 68.868 -0.066 0.000 0.863 119 T HN 0.535 nan 8.240 nan 0.000 0.436 120 T N 2.208 116.671 114.554 -0.153 0.000 2.821 120 T HA 0.087 4.442 4.350 0.009 0.000 0.267 120 T C 2.001 176.475 174.700 -0.376 0.000 1.046 120 T CA 0.716 62.702 62.100 -0.192 0.000 1.139 120 T CB -0.399 68.401 68.868 -0.113 0.000 0.871 120 T HN 0.221 nan 8.240 nan 0.000 0.454 121 L N 0.699 121.598 121.223 -0.539 0.000 2.017 121 L HA -0.101 4.244 4.340 0.009 0.000 0.208 121 L C 2.656 179.363 176.870 -0.272 0.000 1.073 121 L CA 1.060 55.577 54.840 -0.539 0.000 0.745 121 L CB -0.624 41.158 42.059 -0.461 0.000 0.894 121 L HN 0.151 nan 8.230 nan 0.000 0.432 122 V N 0.015 119.810 119.914 -0.198 0.000 2.407 122 V HA -0.216 3.910 4.120 0.009 0.000 0.248 122 V C 2.614 178.651 176.094 -0.095 0.000 1.055 122 V CA 1.906 64.132 62.300 -0.124 0.000 1.049 122 V CB -1.316 30.448 31.823 -0.099 0.000 0.662 122 V HN 0.593 nan 8.190 nan 0.000 0.455 123 G N -0.289 108.453 108.800 -0.097 0.000 2.440 123 G HA2 -0.236 3.730 3.960 0.009 0.000 0.218 123 G HA3 -0.236 3.730 3.960 0.009 0.000 0.218 123 G C 1.482 176.350 174.900 -0.054 0.000 1.154 123 G CA 0.747 45.810 45.100 -0.062 0.000 0.767 123 G HN 0.483 nan 8.290 nan 0.000 0.552 124 E N 0.226 120.378 120.200 -0.079 0.000 2.106 124 E HA -0.026 4.330 4.350 0.009 0.000 0.192 124 E C 2.634 179.214 176.600 -0.033 0.000 0.984 124 E CA 0.619 56.995 56.400 -0.041 0.000 0.806 124 E CB -0.325 29.348 29.700 -0.045 0.000 0.750 124 E HN 0.508 nan 8.360 nan 0.000 0.458 125 M N 0.203 119.770 119.600 -0.056 0.000 2.159 125 M HA -0.104 4.381 4.480 0.009 0.000 0.263 125 M C 2.371 178.656 176.300 -0.025 0.000 1.063 125 M CA 1.562 56.841 55.300 -0.036 0.000 1.110 125 M CB -0.279 32.293 32.600 -0.046 0.000 1.374 125 M HN 0.042 nan 8.290 nan 0.000 0.411 126 A N 0.614 123.415 122.820 -0.030 0.000 1.930 126 A HA -0.145 4.180 4.320 0.009 0.000 0.217 126 A C 2.106 179.679 177.584 -0.018 0.000 1.175 126 A CA 1.550 53.572 52.037 -0.024 0.000 0.627 126 A CB -0.436 18.545 19.000 -0.030 0.000 0.815 126 A HN 0.422 nan 8.150 nan 0.000 0.443 127 K N -0.211 120.180 120.400 -0.014 0.000 2.097 127 K HA 0.002 4.328 4.320 0.009 0.000 0.205 127 K C 2.173 178.773 176.600 -0.000 0.000 1.050 127 K CA 1.020 57.304 56.287 -0.005 0.000 0.938 127 K CB -0.293 32.208 32.500 0.003 0.000 0.718 127 K HN 0.416 nan 8.250 nan 0.000 0.442 128 A N 1.246 124.067 122.820 0.001 0.000 2.070 128 A HA -0.050 4.276 4.320 0.009 0.000 0.220 128 A C 2.128 179.713 177.584 0.002 0.000 1.159 128 A CA 1.629 53.669 52.037 0.005 0.000 0.656 128 A CB -0.403 18.602 19.000 0.008 0.000 0.800 128 A HN 0.317 nan 8.150 nan 0.000 0.453 129 A N -1.805 121.014 122.820 -0.002 0.000 2.251 129 A HA 0.429 4.755 4.320 0.009 0.000 0.209 129 A C 1.728 179.310 177.584 -0.004 0.000 1.187 129 A CA 1.068 53.103 52.037 -0.003 0.000 0.823 129 A CB -0.834 18.163 19.000 -0.005 0.000 0.846 129 A HN 1.799 nan 8.150 nan 0.000 0.486 130 G N -1.052 107.745 108.800 -0.005 0.000 2.153 130 G HA2 -0.202 3.763 3.960 0.009 0.000 0.252 130 G HA3 -0.202 3.763 3.960 0.009 0.000 0.252 130 G C 0.163 175.056 174.900 -0.012 0.000 0.994 130 G CA 0.273 45.370 45.100 -0.006 0.000 0.698 130 G HN 0.750 nan 8.290 nan 0.000 0.521 131 V N 1.019 120.923 119.914 -0.017 0.000 2.546 131 V HA 0.333 4.459 4.120 0.009 0.000 0.284 131 V C 0.854 176.927 176.094 -0.035 0.000 1.050 131 V CA -0.853 61.431 62.300 -0.027 0.000 0.981 131 V CB 1.686 33.491 31.823 -0.030 0.000 0.990 131 V HN 0.420 nan 8.190 nan 0.000 0.474 132 N N 3.994 122.666 118.700 -0.045 0.000 2.399 132 N HA 0.105 4.851 4.740 0.009 0.000 0.259 132 N C -0.895 174.561 175.510 -0.090 0.000 1.160 132 N CA 0.302 53.319 53.050 -0.054 0.000 0.946 132 N CB 1.187 39.642 38.487 -0.053 0.000 1.156 132 N HN 0.485 nan 8.380 nan 0.000 0.489 133 V N 2.703 122.575 119.914 -0.070 0.000 2.555 133 V HA 0.780 4.905 4.120 0.009 0.000 0.302 133 V C 0.146 176.211 176.094 -0.049 0.000 1.038 133 V CA -0.629 61.621 62.300 -0.083 0.000 0.887 133 V CB 1.544 33.340 31.823 -0.046 0.000 0.991 133 V HN 0.649 nan 8.190 nan 0.000 0.434 134 G N 5.291 114.064 108.800 -0.044 0.000 2.370 134 G HA2 0.586 4.551 3.960 0.009 0.000 0.317 134 G HA3 0.586 4.551 3.960 0.009 0.000 0.317 134 G C -1.205 173.777 174.900 0.136 0.000 1.162 134 G CA -0.362 44.803 45.100 0.107 0.000 0.922 134 G HN 0.799 nan 8.290 nan 0.000 0.454 135 V N 2.086 122.043 119.914 0.072 0.000 2.417 135 V HA 0.939 5.064 4.120 0.009 0.000 0.291 135 V C 0.692 176.788 176.094 0.003 0.000 1.024 135 V CA 0.326 62.645 62.300 0.030 0.000 0.861 135 V CB 0.928 32.757 31.823 0.010 0.000 0.985 135 V HN 1.131 nan 8.190 nan 0.000 0.436 136 G N 2.022 110.796 108.800 -0.044 0.000 2.570 136 G HA2 0.793 4.759 3.960 0.009 0.000 0.310 136 G HA3 0.793 4.759 3.960 0.009 0.000 0.310 136 G C -0.071 174.752 174.900 -0.129 0.000 1.266 136 G CA 0.418 45.468 45.100 -0.083 0.000 0.825 136 G HN 1.548 nan 8.290 nan 0.000 0.483 137 G N 0.026 108.731 108.800 -0.157 0.000 2.513 137 G HA2 -0.164 3.802 3.960 0.009 0.000 0.227 137 G HA3 -0.164 3.802 3.960 0.009 0.000 0.227 137 G C 0.891 175.727 174.900 -0.106 0.000 1.176 137 G CA 0.973 45.979 45.100 -0.156 0.000 0.967 137 G HN 1.542 nan 8.290 nan 0.000 0.587 138 N N 0.242 118.878 118.700 -0.106 0.000 2.519 138 N HA 0.059 4.804 4.740 0.009 0.000 0.186 138 N C 2.246 177.694 175.510 -0.104 0.000 1.062 138 N CA 1.598 54.579 53.050 -0.115 0.000 0.910 138 N CB -0.183 38.236 38.487 -0.113 0.000 0.958 138 N HN 0.586 nan 8.380 nan 0.000 0.445 139 I N -1.166 119.366 120.570 -0.063 0.000 2.567 139 I HA -0.086 4.090 4.170 0.009 0.000 0.257 139 I C 1.135 177.263 176.117 0.018 0.000 1.184 139 I CA 1.305 62.592 61.300 -0.022 0.000 1.451 139 I CB -0.033 37.961 38.000 -0.011 0.000 1.089 139 I HN 0.352 nan 8.210 nan 0.000 0.441 140 G N 0.407 109.217 108.800 0.016 0.000 2.273 140 G HA2 -0.137 3.828 3.960 0.009 0.000 0.162 140 G HA3 -0.137 3.828 3.960 0.009 0.000 0.162 140 G C -0.370 174.603 174.900 0.120 0.000 1.006 140 G CA -0.005 45.169 45.100 0.124 0.000 0.704 140 G HN 0.203 nan 8.290 nan 0.000 0.487 141 L N 2.047 123.300 121.223 0.049 0.000 2.318 141 L HA 0.747 5.093 4.340 0.009 0.000 0.277 141 L C -2.458 174.407 176.870 -0.009 0.000 1.008 141 L CA -2.813 52.048 54.840 0.035 0.000 0.846 141 L CB 1.136 43.211 42.059 0.027 0.000 1.220 141 L HN -0.151 nan 8.230 nan 0.000 0.423 142 P HA 0.096 nan 4.420 nan 0.000 0.263 142 P C 0.356 177.599 177.300 -0.096 0.000 1.195 142 P CA 0.302 63.379 63.100 -0.037 0.000 0.762 142 P CB 0.872 32.574 31.700 0.004 0.000 0.799 143 A N 4.334 127.029 122.820 -0.209 0.000 1.978 143 A HA -0.187 4.139 4.320 0.009 0.000 0.220 143 A C 1.888 179.333 177.584 -0.232 0.000 1.170 143 A CA 1.532 53.305 52.037 -0.440 0.000 0.636 143 A CB -1.319 17.213 19.000 -0.781 0.000 0.810 143 A HN 0.570 nan 8.150 nan 0.000 0.448 144 L N -1.464 119.719 121.223 -0.066 0.000 2.265 144 L HA -0.121 4.224 4.340 0.009 0.000 0.215 144 L C 2.449 179.386 176.870 0.112 0.000 1.117 144 L CA 0.980 55.855 54.840 0.060 0.000 0.782 144 L CB -0.374 41.633 42.059 -0.087 0.000 0.914 144 L HN 0.420 nan 8.230 nan 0.000 0.441 145 M N -0.946 118.693 119.600 0.065 0.000 2.619 145 M HA -0.061 4.424 4.480 0.009 0.000 0.251 145 M C 1.729 178.099 176.300 0.118 0.000 1.106 145 M CA 0.904 56.256 55.300 0.087 0.000 1.086 145 M CB 0.108 32.745 32.600 0.061 0.000 1.465 145 M HN 0.239 nan 8.290 nan 0.000 0.506 146 L N -0.384 120.925 121.223 0.145 0.000 2.341 146 L HA 0.084 4.430 4.340 0.009 0.000 0.214 146 L C 0.699 177.794 176.870 0.376 0.000 1.115 146 L CA -0.078 54.912 54.840 0.249 0.000 0.820 146 L CB -0.242 41.980 42.059 0.273 0.000 0.944 146 L HN 0.224 nan 8.230 nan 0.000 0.452 147 L N 1.836 123.254 121.223 0.325 0.000 2.559 147 L HA 0.005 4.350 4.340 0.009 0.000 0.274 147 L C -0.415 176.601 176.870 0.242 0.000 1.205 147 L CA 0.589 55.604 54.840 0.291 0.000 0.907 147 L CB 0.061 42.217 42.059 0.162 0.000 1.153 147 L HN 0.068 nan 8.230 nan 0.000 0.490 148 D N 1.899 122.458 120.400 0.266 0.000 2.871 148 D HA 0.071 4.716 4.640 0.009 0.000 0.209 148 D C -0.067 176.306 176.300 0.122 0.000 1.292 148 D CA -0.484 53.612 54.000 0.160 0.000 0.869 148 D CB 1.419 42.304 40.800 0.143 0.000 1.663 148 D HN 0.361 nan 8.370 nan 0.000 0.557 149 D N 1.597 122.042 120.400 0.075 0.000 2.312 149 D HA -0.084 4.562 4.640 0.009 0.000 0.211 149 D C 1.028 177.342 176.300 0.023 0.000 0.964 149 D CA 0.663 54.692 54.000 0.049 0.000 0.877 149 D CB 0.569 41.390 40.800 0.034 0.000 0.924 149 D HN 0.419 nan 8.370 nan 0.000 0.515 150 E N -0.106 120.104 120.200 0.017 0.000 2.371 150 E HA -0.003 4.353 4.350 0.009 0.000 0.194 150 E C 0.531 177.106 176.600 -0.041 0.000 1.012 150 E CA -0.101 56.296 56.400 -0.006 0.000 0.860 150 E CB -0.447 29.254 29.700 0.000 0.000 0.811 150 E HN 0.132 nan 8.360 nan 0.000 0.502 151 C N 1.733 120.993 119.300 -0.066 0.000 2.634 151 C HA 0.037 4.502 4.460 0.009 0.000 0.418 151 C C 1.622 176.471 174.990 -0.235 0.000 1.373 151 C CA 0.048 58.947 59.018 -0.199 0.000 1.756 151 C CB -0.250 27.259 27.740 -0.386 0.000 2.589 151 C HN 0.378 nan 8.230 nan 0.000 0.602 152 E N 1.240 121.313 120.200 -0.212 0.000 2.431 152 E HA 0.227 4.583 4.350 0.009 0.000 0.200 152 E C -0.403 176.095 176.600 -0.171 0.000 0.995 152 E CA 0.108 56.418 56.400 -0.150 0.000 0.915 152 E CB 0.442 30.091 29.700 -0.086 0.000 0.930 152 E HN 0.493 nan 8.360 nan 0.000 0.496 153 L N -0.033 121.031 121.223 -0.264 0.000 2.549 153 L HA 0.361 4.707 4.340 0.009 0.000 0.259 153 L C -2.068 174.641 176.870 -0.269 0.000 0.934 153 L CA -0.807 53.924 54.840 -0.182 0.000 0.865 153 L CB 1.214 43.227 42.059 -0.076 0.000 1.352 153 L HN -0.194 nan 8.230 nan 0.000 0.410 154 Y N 3.521 123.868 120.300 0.079 0.000 2.377 154 Y HA 0.741 5.296 4.550 0.009 0.000 0.339 154 Y C -0.320 175.603 175.900 0.039 0.000 1.011 154 Y CA -0.821 57.335 58.100 0.094 0.000 1.093 154 Y CB 2.221 40.819 38.460 0.229 0.000 1.201 154 Y HN 0.315 nan 8.280 nan 0.000 0.455 155 V N 5.452 125.460 119.914 0.157 0.000 2.407 155 V HA 0.428 4.553 4.120 0.009 0.000 0.291 155 V C -0.575 175.522 176.094 0.004 0.000 1.018 155 V CA -0.885 61.448 62.300 0.055 0.000 0.842 155 V CB 1.417 33.243 31.823 0.006 0.000 0.996 155 V HN 0.572 nan 8.190 nan 0.000 0.426 156 L N 3.925 125.130 121.223 -0.029 0.000 2.325 156 L HA 0.559 4.905 4.340 0.009 0.000 0.281 156 L C 0.180 177.001 176.870 -0.082 0.000 1.004 156 L CA -0.404 54.377 54.840 -0.097 0.000 0.823 156 L CB 2.135 44.108 42.059 -0.143 0.000 1.236 156 L HN 0.681 nan 8.230 nan 0.000 0.415 157 E N 4.626 124.773 120.200 -0.088 0.000 2.223 157 E HA 0.403 4.759 4.350 0.009 0.000 0.282 157 E C -1.389 175.154 176.600 -0.095 0.000 1.046 157 E CA -0.400 55.952 56.400 -0.081 0.000 0.857 157 E CB 0.798 30.456 29.700 -0.070 0.000 1.055 157 E HN 0.475 nan 8.360 nan 0.000 0.409 158 L N 4.230 125.398 121.223 -0.092 0.000 2.356 158 L HA 0.306 4.651 4.340 0.009 0.000 0.277 158 L C 0.165 176.972 176.870 -0.105 0.000 0.996 158 L CA -0.889 53.894 54.840 -0.096 0.000 0.822 158 L CB 1.839 43.844 42.059 -0.089 0.000 1.256 158 L HN 0.570 nan 8.230 nan 0.000 0.413 159 S N 0.269 115.900 115.700 -0.114 0.000 2.614 159 S HA 0.126 4.601 4.470 0.009 0.000 0.265 159 S C 1.289 175.796 174.600 -0.155 0.000 1.303 159 S CA -0.093 58.002 58.200 -0.174 0.000 1.000 159 S CB 1.580 64.627 63.200 -0.254 0.000 0.935 159 S HN 0.749 nan 8.310 nan 0.000 0.551 160 S N 1.247 116.823 115.700 -0.207 0.000 2.402 160 S HA -0.158 4.317 4.470 0.009 0.000 0.233 160 S C 1.429 176.094 174.600 0.108 0.000 1.030 160 S CA 1.030 59.185 58.200 -0.076 0.000 1.003 160 S CB -0.986 62.218 63.200 0.007 0.000 0.813 160 S HN 0.659 nan 8.310 nan 0.000 0.477 161 F N 2.211 122.183 119.950 0.036 0.000 2.113 161 F HA 0.054 4.587 4.527 0.009 0.000 0.297 161 F C 2.897 178.694 175.800 -0.005 0.000 1.103 161 F CA 0.735 58.740 58.000 0.008 0.000 1.248 161 F CB -1.445 37.513 39.000 -0.070 0.000 0.999 161 F HN 0.287 nan 8.300 nan 0.000 0.475 162 Q N -0.030 119.859 119.800 0.149 0.000 2.124 162 Q HA -0.165 4.180 4.340 0.009 0.000 0.202 162 Q C 2.334 178.361 176.000 0.044 0.000 0.977 162 Q CA 1.281 57.121 55.803 0.063 0.000 0.850 162 Q CB -0.400 28.337 28.738 -0.000 0.000 0.901 162 Q HN 0.407 nan 8.270 nan 0.000 0.429 163 L N 0.496 121.738 121.223 0.032 0.000 2.141 163 L HA -0.171 4.174 4.340 0.009 0.000 0.209 163 L C 2.084 178.981 176.870 0.045 0.000 1.094 163 L CA 0.937 55.785 54.840 0.013 0.000 0.763 163 L CB -0.244 41.796 42.059 -0.032 0.000 0.908 163 L HN 0.250 nan 8.230 nan 0.000 0.437 164 E N -0.416 119.842 120.200 0.096 0.000 2.118 164 E HA -0.213 4.143 4.350 0.009 0.000 0.195 164 E C 1.617 178.260 176.600 0.072 0.000 0.992 164 E CA 1.810 58.274 56.400 0.107 0.000 0.804 164 E CB -0.047 29.753 29.700 0.167 0.000 0.741 164 E HN 0.538 nan 8.360 nan 0.000 0.458 165 T N -1.918 112.674 114.554 0.063 0.000 3.145 165 T HA 0.120 4.476 4.350 0.009 0.000 0.255 165 T C 0.320 175.044 174.700 0.039 0.000 1.039 165 T CA -0.362 61.766 62.100 0.047 0.000 0.928 165 T CB 0.461 69.353 68.868 0.041 0.000 1.029 165 T HN -0.207 nan 8.240 nan 0.000 0.554 166 T N 1.931 116.507 114.554 0.036 0.000 2.779 166 T HA 0.516 4.872 4.350 0.009 0.000 0.280 166 T C 0.832 175.551 174.700 0.031 0.000 0.987 166 T CA -0.537 61.582 62.100 0.031 0.000 0.966 166 T CB 1.730 70.611 68.868 0.022 0.000 0.933 166 T HN 0.340 nan 8.240 nan 0.000 0.442 167 S N 0.581 116.302 115.700 0.035 0.000 2.649 167 S HA 0.132 4.607 4.470 0.009 0.000 0.246 167 S C 1.205 175.824 174.600 0.033 0.000 1.057 167 S CA -0.433 57.787 58.200 0.033 0.000 1.051 167 S CB 0.346 63.567 63.200 0.035 0.000 1.018 167 S HN 0.389 nan 8.310 nan 0.000 0.569 168 S N 1.677 117.398 115.700 0.035 0.000 2.568 168 S HA 0.405 4.880 4.470 0.009 0.000 0.232 168 S C -0.087 174.533 174.600 0.034 0.000 0.975 168 S CA -0.499 57.721 58.200 0.033 0.000 0.949 168 S CB 0.031 63.250 63.200 0.032 0.000 0.829 168 S HN 0.514 nan 8.310 nan 0.000 0.479 169 L N 3.132 124.378 121.223 0.038 0.000 2.410 169 L HA 0.235 4.580 4.340 0.009 0.000 0.273 169 L C -0.145 176.751 176.870 0.044 0.000 1.144 169 L CA 0.888 55.755 54.840 0.045 0.000 0.863 169 L CB 0.311 42.394 42.059 0.040 0.000 1.140 169 L HN 0.110 nan 8.230 nan 0.000 0.463 170 Q N 5.682 125.510 119.800 0.048 0.000 2.798 170 Q HA 0.502 4.848 4.340 0.009 0.000 0.250 170 Q C -0.398 175.637 176.000 0.058 0.000 1.006 170 Q CA -0.583 55.249 55.803 0.049 0.000 0.759 170 Q CB 1.284 30.046 28.738 0.039 0.000 1.201 170 Q HN 0.873 nan 8.270 nan 0.000 0.486 171 A N 0.949 123.808 122.820 0.064 0.000 2.445 171 A HA 0.122 4.448 4.320 0.009 0.000 0.242 171 A C 1.117 178.740 177.584 0.065 0.000 1.075 171 A CA -0.238 51.841 52.037 0.070 0.000 0.777 171 A CB 0.778 19.818 19.000 0.067 0.000 1.013 171 A HN 0.560 nan 8.150 nan 0.000 0.493 172 V N 1.398 121.350 119.914 0.064 0.000 2.667 172 V HA 0.302 4.428 4.120 0.009 0.000 0.252 172 V C 0.960 177.083 176.094 0.049 0.000 1.065 172 V CA 2.232 64.563 62.300 0.052 0.000 1.083 172 V CB -0.435 31.417 31.823 0.048 0.000 0.692 172 V HN 1.463 nan 8.190 nan 0.000 0.468 173 A N -0.844 122.008 122.820 0.053 0.000 2.491 173 A HA 0.856 5.182 4.320 0.009 0.000 0.293 173 A C -0.698 176.924 177.584 0.063 0.000 1.047 173 A CA 0.122 52.190 52.037 0.052 0.000 0.735 173 A CB 1.404 20.420 19.000 0.027 0.000 1.281 173 A HN 1.007 nan 8.150 nan 0.000 0.398 174 A N 0.999 123.883 122.820 0.107 0.000 2.454 174 A HA 0.978 5.304 4.320 0.009 0.000 0.302 174 A C -0.348 177.346 177.584 0.184 0.000 1.079 174 A CA -0.264 51.840 52.037 0.111 0.000 0.731 174 A CB 1.844 20.921 19.000 0.129 0.000 1.299 174 A HN 1.631 nan 8.150 nan 0.000 0.413 175 T N 1.045 115.649 114.554 0.083 0.000 2.933 175 T HA 0.608 4.963 4.350 0.009 0.000 0.305 175 T C -1.339 173.338 174.700 -0.039 0.000 1.092 175 T CA -0.329 61.853 62.100 0.136 0.000 1.008 175 T CB 0.509 69.444 68.868 0.111 0.000 1.102 175 T HN 0.483 nan 8.240 nan 0.000 0.469 176 I N 6.115 126.682 120.570 -0.005 0.000 2.328 176 I HA 0.286 4.462 4.170 0.009 0.000 0.287 176 I C 1.280 177.460 176.117 0.105 0.000 1.012 176 I CA -0.588 60.681 61.300 -0.052 0.000 1.195 176 I CB 1.507 39.428 38.000 -0.132 0.000 1.350 176 I HN 0.617 nan 8.210 nan 0.000 0.464 177 L N 5.591 126.875 121.223 0.102 0.000 2.093 177 L HA -0.078 4.267 4.340 0.009 0.000 0.208 177 L C 0.166 177.160 176.870 0.207 0.000 1.085 177 L CA 1.083 56.062 54.840 0.232 0.000 0.755 177 L CB -0.412 41.723 42.059 0.127 0.000 0.904 177 L HN 0.837 nan 8.230 nan 0.000 0.435 178 N N -3.357 115.393 118.700 0.083 0.000 3.322 178 N HA 0.369 5.114 4.740 0.009 0.000 0.233 178 N C -1.382 174.125 175.510 -0.005 0.000 1.399 178 N CA -0.756 52.322 53.050 0.046 0.000 0.894 178 N CB 1.655 40.183 38.487 0.067 0.000 1.440 178 N HN -0.302 nan 8.380 nan 0.000 0.503 179 V N 0.029 119.937 119.914 -0.010 0.000 2.462 179 V HA 0.788 4.913 4.120 0.009 0.000 0.288 179 V C -0.645 175.479 176.094 0.051 0.000 1.020 179 V CA -0.235 62.048 62.300 -0.029 0.000 0.857 179 V CB 0.874 32.634 31.823 -0.105 0.000 1.013 179 V HN 1.056 nan 8.190 nan 0.000 0.431 180 T N 0.084 114.711 114.554 0.122 0.000 2.896 180 T HA 0.595 4.950 4.350 0.009 0.000 0.297 180 T C -0.411 174.375 174.700 0.143 0.000 1.108 180 T CA -0.770 61.391 62.100 0.102 0.000 1.004 180 T CB 2.082 70.979 68.868 0.048 0.000 1.159 180 T HN 0.648 nan 8.240 nan 0.000 0.499 181 E N 0.847 121.077 120.200 0.051 0.000 2.652 181 E HA 0.121 4.476 4.350 0.009 0.000 0.255 181 E C -0.838 175.666 176.600 -0.161 0.000 0.952 181 E CA 0.579 56.953 56.400 -0.043 0.000 0.947 181 E CB 0.226 29.878 29.700 -0.080 0.000 0.912 181 E HN 0.639 nan 8.360 nan 0.000 0.489 182 D N 1.601 121.763 120.400 -0.396 0.000 2.648 182 D HA 0.148 4.794 4.640 0.009 0.000 0.244 182 D C -1.007 174.928 176.300 -0.608 0.000 1.244 182 D CA -0.274 53.425 54.000 -0.502 0.000 0.772 182 D CB 0.634 41.195 40.800 -0.398 0.000 1.379 182 D HN 0.636 nan 8.370 nan 0.000 0.428 183 H N 1.701 120.635 119.070 -0.226 0.000 2.820 183 H HA -0.149 4.412 4.556 0.009 0.000 0.295 183 H C 1.289 176.641 175.328 0.039 0.000 1.187 183 H CA 0.757 56.786 56.048 -0.033 0.000 1.144 183 H CB -0.831 28.970 29.762 0.066 0.000 1.354 183 H HN 0.413 nan 8.280 nan 0.000 0.395 184 M N 0.397 119.997 119.600 0.000 0.000 2.374 184 M HA -0.079 4.407 4.480 0.009 0.000 0.264 184 M C 1.986 178.310 176.300 0.039 0.000 1.067 184 M CA 1.542 56.864 55.300 0.036 0.000 1.103 184 M CB -0.499 32.071 32.600 -0.050 0.000 1.402 184 M HN 0.344 nan 8.290 nan 0.000 0.444 185 D N -0.587 119.825 120.400 0.021 0.000 2.350 185 D HA -0.171 4.474 4.640 0.009 0.000 0.216 185 D C 1.567 177.842 176.300 -0.041 0.000 0.968 185 D CA 0.796 54.794 54.000 -0.003 0.000 0.894 185 D CB -0.288 40.517 40.800 0.008 0.000 0.909 185 D HN 0.239 nan 8.370 nan 0.000 0.520 186 R N -0.922 119.535 120.500 -0.073 0.000 2.437 186 R HA 0.096 4.442 4.340 0.009 0.000 0.257 186 R C -0.385 175.595 176.300 -0.533 0.000 0.927 186 R CA -0.129 55.784 56.100 -0.311 0.000 1.078 186 R CB 0.415 30.482 30.300 -0.388 0.000 1.161 186 R HN 0.197 nan 8.270 nan 0.000 0.529 187 Y N 0.936 121.309 120.300 0.122 0.000 2.662 187 Y HA 0.294 4.850 4.550 0.009 0.000 0.358 187 Y C -1.636 174.322 175.900 0.096 0.000 1.041 187 Y CA -2.615 55.577 58.100 0.152 0.000 1.184 187 Y CB 1.389 39.956 38.460 0.178 0.000 1.114 187 Y HN -0.075 nan 8.280 nan 0.000 0.650 188 P HA -0.111 nan 4.420 nan 0.000 0.230 188 P C 0.515 177.680 177.300 -0.226 0.000 1.158 188 P CA 1.233 64.295 63.100 -0.064 0.000 0.769 188 P CB 0.101 31.714 31.700 -0.146 0.000 0.807 189 F N 0.156 120.178 119.950 0.119 0.000 2.660 189 F HA 0.422 4.955 4.527 0.009 0.000 0.297 189 F C 1.776 177.636 175.800 0.099 0.000 1.132 189 F CA 0.547 58.604 58.000 0.096 0.000 1.372 189 F CB -0.374 38.681 39.000 0.092 0.000 1.003 189 F HN 0.040 nan 8.300 nan 0.000 0.524 190 G N 0.430 109.353 108.800 0.204 0.000 2.681 190 G HA2 -0.318 3.648 3.960 0.009 0.000 0.220 190 G HA3 -0.318 3.648 3.960 0.009 0.000 0.220 190 G C 0.446 175.438 174.900 0.152 0.000 1.353 190 G CA -0.204 44.979 45.100 0.139 0.000 0.872 190 G HN 0.231 nan 8.290 nan 0.000 0.557 191 L N -0.207 121.081 121.223 0.110 0.000 2.131 191 L HA 0.012 4.358 4.340 0.009 0.000 0.210 191 L C 2.836 179.770 176.870 0.107 0.000 1.092 191 L CA 3.009 57.928 54.840 0.131 0.000 0.759 191 L CB -0.369 41.747 42.059 0.095 0.000 0.903 191 L HN 0.600 nan 8.230 nan 0.000 0.435 192 Q N -0.786 119.064 119.800 0.082 0.000 2.230 192 Q HA -0.196 4.149 4.340 0.009 0.000 0.202 192 Q C 2.085 178.104 176.000 0.032 0.000 0.963 192 Q CA 1.308 57.139 55.803 0.046 0.000 0.866 192 Q CB -0.204 28.564 28.738 0.051 0.000 0.931 192 Q HN 0.696 nan 8.270 nan 0.000 0.452 193 Q N -0.606 119.247 119.800 0.088 0.000 2.083 193 Q HA -0.173 4.173 4.340 0.009 0.000 0.198 193 Q C 1.869 177.803 176.000 -0.110 0.000 0.969 193 Q CA 0.931 56.787 55.803 0.089 0.000 0.838 193 Q CB -0.097 28.816 28.738 0.291 0.000 0.900 193 Q HN 0.337 nan 8.270 nan 0.000 0.436 194 Y N 1.459 121.470 120.300 -0.482 0.000 2.097 194 Y HA -0.269 4.287 4.550 0.009 0.000 0.282 194 Y C 2.349 177.982 175.900 -0.446 0.000 1.152 194 Y CA 2.189 59.726 58.100 -0.938 0.000 1.136 194 Y CB -0.448 37.637 38.460 -0.626 0.000 0.975 194 Y HN 0.030 nan 8.280 nan 0.000 0.498 195 R N 0.334 120.629 120.500 -0.342 0.000 2.091 195 R HA -0.200 4.146 4.340 0.009 0.000 0.238 195 R C 2.321 178.479 176.300 -0.237 0.000 1.136 195 R CA 1.504 57.401 56.100 -0.338 0.000 0.959 195 R CB -0.659 29.542 30.300 -0.165 0.000 0.856 195 R HN 0.476 nan 8.270 nan 0.000 0.437 196 A N 1.035 123.768 122.820 -0.146 0.000 1.978 196 A HA 0.021 4.347 4.320 0.009 0.000 0.220 196 A C 1.369 178.899 177.584 -0.089 0.000 1.170 196 A CA 1.267 53.253 52.037 -0.084 0.000 0.636 196 A CB -0.620 18.359 19.000 -0.036 0.000 0.810 196 A HN 0.567 nan 8.150 nan 0.000 0.448 200 R N 0.732 121.181 120.500 -0.085 0.000 2.159 200 R HA -0.076 4.269 4.340 0.009 0.000 0.237 200 R C 2.016 178.280 176.300 -0.060 0.000 1.131 200 R CA 1.651 57.725 56.100 -0.043 0.000 0.982 200 R CB -0.147 30.136 30.300 -0.029 0.000 0.868 200 R HN 0.347 nan 8.270 nan 0.000 0.453 201 I N 0.148 120.618 120.570 -0.168 0.000 2.454 201 I HA -0.287 3.889 4.170 0.009 0.000 0.254 201 I C 1.118 177.192 176.117 -0.073 0.000 1.156 201 I CA 1.294 62.486 61.300 -0.180 0.000 1.433 201 I CB 0.113 37.924 38.000 -0.314 0.000 1.082 201 I HN 0.139 nan 8.210 nan 0.000 0.432 202 Y N 0.681 120.975 120.300 -0.010 0.000 2.519 202 Y HA 0.029 4.584 4.550 0.009 0.000 0.287 202 Y C 1.237 177.137 175.900 -0.000 0.000 1.128 202 Y CA -0.145 57.952 58.100 -0.005 0.000 1.282 202 Y CB -0.677 37.778 38.460 -0.009 0.000 1.027 202 Y HN 0.195 nan 8.280 nan 0.000 0.551 203 E N 2.011 122.298 120.200 0.144 0.000 2.498 203 E HA -0.134 4.222 4.350 0.009 0.000 0.252 203 E C 0.042 176.686 176.600 0.072 0.000 1.025 203 E CA 0.297 56.749 56.400 0.087 0.000 0.938 203 E CB -0.122 29.611 29.700 0.055 0.000 0.947 203 E HN 0.346 nan 8.360 nan 0.000 0.478 204 N N 1.119 119.856 118.700 0.061 0.000 2.800 204 N HA -0.211 4.535 4.740 0.009 0.000 0.250 204 N C -0.826 174.718 175.510 0.057 0.000 1.078 204 N CA 1.046 54.125 53.050 0.049 0.000 0.804 204 N CB -1.585 36.926 38.487 0.040 0.000 1.135 204 N HN 0.537 nan 8.380 nan 0.000 0.565 205 A N 0.619 123.486 122.820 0.079 0.000 2.388 205 A HA 0.250 4.576 4.320 0.009 0.000 0.257 205 A C 1.402 179.021 177.584 0.058 0.000 1.095 205 A CA 0.241 52.329 52.037 0.085 0.000 0.791 205 A CB 0.723 19.811 19.000 0.146 0.000 1.029 205 A HN 0.287 nan 8.150 nan 0.000 0.489 206 K N 1.451 121.881 120.400 0.050 0.000 2.062 206 K HA 0.058 4.384 4.320 0.009 0.000 0.205 206 K C -0.085 176.533 176.600 0.029 0.000 1.051 206 K CA 1.303 57.611 56.287 0.035 0.000 0.941 206 K CB 0.009 32.530 32.500 0.035 0.000 0.719 206 K HN 0.501 nan 8.250 nan 0.000 0.440 207 V N 0.938 120.875 119.914 0.038 0.000 2.656 207 V HA 0.248 4.373 4.120 0.009 0.000 0.307 207 V C -0.923 175.195 176.094 0.041 0.000 1.051 207 V CA -1.041 61.276 62.300 0.029 0.000 0.893 207 V CB 1.679 33.521 31.823 0.033 0.000 0.999 207 V HN 0.212 nan 8.190 nan 0.000 0.426 208 C N 4.284 123.579 119.300 -0.009 0.000 2.322 208 C HA 0.644 5.110 4.460 0.009 0.000 0.324 208 C C 0.211 175.203 174.990 0.004 0.000 1.284 208 C CA -0.805 58.194 59.018 -0.032 0.000 1.606 208 C CB 0.919 28.418 27.740 -0.402 0.000 2.251 208 C HN 0.616 nan 8.230 nan 0.000 0.502 209 V N 5.251 125.241 119.914 0.128 0.000 2.311 209 V HA 0.458 4.583 4.120 0.009 0.000 0.275 209 V C 0.236 176.476 176.094 0.244 0.000 1.022 209 V CA -0.121 62.266 62.300 0.145 0.000 0.830 209 V CB 0.970 32.856 31.823 0.106 0.000 1.012 209 V HN 0.786 nan 8.190 nan 0.000 0.452 210 V N 2.217 122.214 119.914 0.139 0.000 2.881 210 V HA 0.671 4.796 4.120 0.009 0.000 0.316 210 V C -0.044 175.922 176.094 -0.213 0.000 1.070 210 V CA -0.956 61.379 62.300 0.057 0.000 0.976 210 V CB 2.117 33.914 31.823 -0.044 0.000 1.038 210 V HN 0.658 nan 8.190 nan 0.000 0.446 211 N N 1.911 120.391 118.700 -0.367 0.000 2.437 211 N HA 0.417 5.162 4.740 0.009 0.000 0.243 211 N C 0.948 176.199 175.510 -0.432 0.000 1.041 211 N CA 0.304 52.851 53.050 -0.838 0.000 0.940 211 N CB 1.414 39.593 38.487 -0.513 0.000 1.133 211 N HN 1.001 nan 8.380 nan 0.000 0.506 212 A N 3.364 125.942 122.820 -0.404 0.000 2.032 212 A HA -0.152 4.174 4.320 0.009 0.000 0.221 212 A C 1.213 178.716 177.584 -0.135 0.000 1.165 212 A CA 1.431 53.354 52.037 -0.189 0.000 0.645 212 A CB -0.048 18.881 19.000 -0.119 0.000 0.807 212 A HN 0.701 nan 8.150 nan 0.000 0.453 213 D N -0.743 119.567 120.400 -0.151 0.000 2.339 213 D HA 0.056 4.701 4.640 0.009 0.000 0.217 213 D C -0.357 175.906 176.300 -0.062 0.000 1.050 213 D CA 0.396 54.352 54.000 -0.074 0.000 0.856 213 D CB 0.285 41.065 40.800 -0.034 0.000 0.922 213 D HN 0.351 nan 8.370 nan 0.000 0.518 214 D N -0.003 120.344 120.400 -0.089 0.000 2.389 214 D HA 0.312 4.957 4.640 0.009 0.000 0.256 214 D C 0.771 177.042 176.300 -0.050 0.000 1.239 214 D CA -0.572 53.397 54.000 -0.053 0.000 0.925 214 D CB 1.307 42.083 40.800 -0.041 0.000 1.145 214 D HN -0.126 nan 8.370 nan 0.000 0.542 215 A N 3.887 126.686 122.820 -0.035 0.000 2.019 215 A HA -0.083 4.243 4.320 0.009 0.000 0.219 215 A C 2.049 179.623 177.584 -0.017 0.000 1.164 215 A CA 0.800 52.821 52.037 -0.028 0.000 0.644 215 A CB -0.295 18.692 19.000 -0.021 0.000 0.805 215 A HN 0.690 nan 8.150 nan 0.000 0.449 216 L N 0.118 121.332 121.223 -0.015 0.000 2.465 216 L HA -0.081 4.264 4.340 0.009 0.000 0.224 216 L C 2.496 179.365 176.870 -0.002 0.000 1.145 216 L CA 1.437 56.268 54.840 -0.014 0.000 0.834 216 L CB -0.659 41.385 42.059 -0.025 0.000 0.944 216 L HN 0.647 nan 8.230 nan 0.000 0.451 217 T N -4.029 110.532 114.554 0.013 0.000 3.100 217 T HA 0.096 4.451 4.350 0.009 0.000 0.253 217 T C 0.951 175.748 174.700 0.161 0.000 1.118 217 T CA -0.181 61.965 62.100 0.077 0.000 1.058 217 T CB 0.029 68.932 68.868 0.059 0.000 0.953 217 T HN -0.093 nan 8.240 nan 0.000 0.515 218 M N 3.328 122.964 119.600 0.060 0.000 2.238 218 M HA 0.370 4.856 4.480 0.009 0.000 0.347 218 M C -2.087 174.240 176.300 0.044 0.000 1.173 218 M CA -3.107 52.194 55.300 0.002 0.000 1.147 218 M CB 0.201 32.782 32.600 -0.031 0.000 1.547 218 M HN 0.067 nan 8.290 nan 0.000 0.455 226 R N 0.349 120.825 120.500 -0.040 0.000 2.334 226 R HA 0.277 4.622 4.340 0.009 0.000 0.216 226 R C 0.379 176.653 176.300 -0.043 0.000 0.905 226 R CA 0.126 56.206 56.100 -0.034 0.000 1.064 226 R CB 0.338 30.613 30.300 -0.041 0.000 1.046 226 R HN 0.208 nan 8.270 nan 0.000 0.508 227 C N 1.695 120.961 119.300 -0.057 0.000 2.325 227 C HA 0.417 4.882 4.460 0.009 0.000 0.347 227 C C 0.296 175.283 174.990 -0.006 0.000 1.263 227 C CA -0.728 58.249 59.018 -0.067 0.000 1.806 227 C CB 0.625 28.300 27.740 -0.108 0.000 2.405 227 C HN 0.079 nan 8.230 nan 0.000 0.537 228 V N 4.654 124.583 119.914 0.025 0.000 2.495 228 V HA 0.609 4.734 4.120 0.009 0.000 0.298 228 V C 0.151 176.310 176.094 0.109 0.000 1.031 228 V CA -0.200 62.158 62.300 0.097 0.000 0.871 228 V CB 2.055 33.952 31.823 0.124 0.000 0.988 228 V HN 0.973 nan 8.190 nan 0.000 0.432 229 S N 4.401 120.189 115.700 0.147 0.000 2.549 229 S HA 0.885 5.360 4.470 0.009 0.000 0.297 229 S C -0.793 173.959 174.600 0.253 0.000 1.115 229 S CA -0.630 57.633 58.200 0.105 0.000 1.059 229 S CB 1.750 64.960 63.200 0.017 0.000 1.046 229 S HN 0.713 nan 8.310 nan 0.000 0.506 230 F N -0.667 119.348 119.950 0.109 0.000 2.579 230 F HA 1.024 5.556 4.527 0.009 0.000 0.324 230 F C 0.153 176.037 175.800 0.141 0.000 1.058 230 F CA -0.508 57.587 58.000 0.157 0.000 0.944 230 F CB 1.341 40.392 39.000 0.086 0.000 1.245 230 F HN 1.004 nan 8.300 nan 0.000 0.477 231 G N 0.736 109.693 108.800 0.261 0.000 2.488 231 G HA2 0.420 4.385 3.960 0.009 0.000 0.301 231 G HA3 0.420 4.385 3.960 0.009 0.000 0.301 231 G C -0.951 174.110 174.900 0.268 0.000 1.339 231 G CA -0.283 44.899 45.100 0.136 0.000 0.803 231 G HN 0.703 nan 8.290 nan 0.000 0.482 232 V N 0.381 120.424 119.914 0.214 0.000 2.283 232 V HA 0.029 4.155 4.120 0.009 0.000 0.239 232 V C 2.004 178.273 176.094 0.292 0.000 1.035 232 V CA 1.596 64.058 62.300 0.270 0.000 1.018 232 V CB -0.240 31.725 31.823 0.237 0.000 0.658 232 V HN 0.623 nan 8.190 nan 0.000 0.459 233 N N 0.071 118.886 118.700 0.193 0.000 2.282 233 N HA 0.221 4.966 4.740 0.009 0.000 0.185 233 N C 0.291 175.768 175.510 -0.055 0.000 1.099 233 N CA 0.315 53.450 53.050 0.142 0.000 0.878 233 N CB 0.635 39.183 38.487 0.102 0.000 0.993 233 N HN 0.567 nan 8.380 nan 0.000 0.481 234 M N -2.111 117.454 119.600 -0.057 0.000 2.575 234 M HA 0.739 5.224 4.480 0.009 0.000 0.284 234 M C -0.456 175.812 176.300 -0.054 0.000 1.253 234 M CA -0.780 54.411 55.300 -0.182 0.000 0.861 234 M CB 2.908 35.448 32.600 -0.100 0.000 1.733 234 M HN -0.071 nan 8.290 nan 0.000 0.462 235 G N 0.770 109.537 108.800 -0.055 0.000 2.335 235 G HA2 -0.000 3.965 3.960 0.009 0.000 0.592 235 G HA3 -0.000 3.965 3.960 0.009 0.000 0.592 235 G C -0.815 174.212 174.900 0.211 0.000 1.442 235 G CA -0.397 44.764 45.100 0.102 0.000 0.976 235 G HN 0.798 nan 8.290 nan 0.000 0.652 236 D N -0.723 119.813 120.400 0.227 0.000 2.149 236 D HA -0.056 4.590 4.640 0.009 0.000 0.198 236 D C 0.284 176.697 176.300 0.188 0.000 0.990 236 D CA 1.784 55.913 54.000 0.215 0.000 0.839 236 D CB 0.039 40.998 40.800 0.266 0.000 0.948 236 D HN 0.320 nan 8.370 nan 0.000 0.460 237 Y N 0.684 121.108 120.300 0.207 0.000 2.334 237 Y HA 0.281 4.837 4.550 0.009 0.000 0.336 237 Y C 0.808 176.850 175.900 0.237 0.000 0.960 237 Y CA -0.745 57.457 58.100 0.170 0.000 1.164 237 Y CB 0.888 39.448 38.460 0.168 0.000 1.155 237 Y HN 0.025 nan 8.280 nan 0.000 0.478 238 H N 1.558 120.739 119.070 0.184 0.000 2.928 238 H HA 0.624 5.186 4.556 0.009 0.000 0.285 238 H C -1.820 173.561 175.328 0.088 0.000 1.438 238 H CA -1.176 54.966 56.048 0.156 0.000 1.176 238 H CB 0.861 30.692 29.762 0.115 0.000 1.864 238 H HN 0.544 nan 8.280 nan 0.000 0.567 239 L N 0.631 121.887 121.223 0.056 0.000 2.344 239 L HA 0.447 4.792 4.340 0.009 0.000 0.272 239 L C 0.212 176.974 176.870 -0.180 0.000 1.035 239 L CA -0.733 54.034 54.840 -0.121 0.000 0.807 239 L CB 1.529 43.526 42.059 -0.105 0.000 1.237 239 L HN 0.630 nan 8.230 nan 0.000 0.442 240 N N -0.076 118.431 118.700 -0.321 0.000 2.397 240 N HA 0.388 5.134 4.740 0.009 0.000 0.291 240 N C -1.414 173.952 175.510 -0.240 0.000 1.065 240 N CA -0.581 52.339 53.050 -0.216 0.000 0.884 240 N CB 1.540 40.005 38.487 -0.037 0.000 1.551 240 N HN 0.631 nan 8.380 nan 0.000 0.487 246 T N 1.832 116.307 114.554 -0.131 0.000 2.829 246 T HA 0.551 4.906 4.350 0.009 0.000 0.280 246 T C -1.252 173.256 174.700 -0.320 0.000 0.999 246 T CA -0.467 61.544 62.100 -0.148 0.000 0.983 246 T CB 0.660 69.418 68.868 -0.183 0.000 0.968 246 T HN 0.231 nan 8.240 nan 0.000 0.446 247 W N 2.357 123.504 121.300 -0.256 0.000 2.702 247 W HA 0.602 5.268 4.660 0.010 0.000 0.331 247 W C -0.663 175.707 176.519 -0.249 0.000 1.049 247 W CA -0.966 56.246 57.345 -0.222 0.000 1.230 247 W CB 1.033 30.391 29.460 -0.169 0.000 1.408 247 W HN 0.369 nan 8.180 nan 0.000 0.492 248 L N 3.962 125.199 121.223 0.024 0.000 2.380 248 L HA 0.497 4.842 4.340 0.009 0.000 0.273 248 L C 0.402 177.266 176.870 -0.011 0.000 1.138 248 L CA -0.313 54.521 54.840 -0.011 0.000 0.832 248 L CB 0.305 42.369 42.059 0.007 0.000 1.124 248 L HN 0.405 nan 8.230 nan 0.000 0.454 249 R N 2.304 122.705 120.500 -0.165 0.000 2.686 249 R HA 0.710 5.055 4.340 0.009 0.000 0.286 249 R C -1.415 174.715 176.300 -0.283 0.000 0.969 249 R CA -0.811 55.137 56.100 -0.253 0.000 0.898 249 R CB 2.777 32.812 30.300 -0.442 0.000 1.183 249 R HN 0.318 nan 8.270 nan 0.000 0.456 250 V N 3.200 122.957 119.914 -0.262 0.000 2.443 250 V HA 0.202 4.327 4.120 0.009 0.000 0.293 250 V C -0.134 175.794 176.094 -0.277 0.000 1.021 250 V CA -1.000 61.052 62.300 -0.413 0.000 0.848 250 V CB 1.407 32.925 31.823 -0.509 0.000 0.998 250 V HN 0.775 nan 8.190 nan 0.000 0.424 251 K N 3.847 124.120 120.400 -0.211 0.000 3.177 251 K HA -0.251 4.075 4.320 0.009 0.000 0.266 251 K C 1.045 177.605 176.600 -0.067 0.000 0.937 251 K CA 0.763 56.990 56.287 -0.101 0.000 0.702 251 K CB -1.324 31.104 32.500 -0.120 0.000 1.365 251 K HN 1.560 nan 8.250 nan 0.000 0.466 252 G N -0.065 108.709 108.800 -0.043 0.000 2.179 252 G HA2 -0.294 3.672 3.960 0.009 0.000 0.220 252 G HA3 -0.294 3.672 3.960 0.009 0.000 0.220 252 G C -0.293 174.560 174.900 -0.078 0.000 0.990 252 G CA 0.333 45.409 45.100 -0.039 0.000 0.646 252 G HN 0.649 nan 8.290 nan 0.000 0.517 253 E N 0.019 120.154 120.200 -0.109 0.000 2.340 253 E HA 0.628 4.984 4.350 0.009 0.000 0.273 253 E C -0.540 175.976 176.600 -0.141 0.000 0.891 253 E CA -1.205 55.121 56.400 -0.124 0.000 0.757 253 E CB 1.455 31.096 29.700 -0.099 0.000 1.231 253 E HN 0.107 nan 8.360 nan 0.000 0.439 254 K N 1.413 121.706 120.400 -0.179 0.000 2.412 254 K HA 0.075 4.401 4.320 0.009 0.000 0.281 254 K C 0.770 177.368 176.600 -0.003 0.000 1.027 254 K CA 0.420 56.618 56.287 -0.147 0.000 0.989 254 K CB 1.195 33.422 32.500 -0.456 0.000 0.935 254 K HN 0.519 nan 8.250 nan 0.000 0.475 255 V N 1.347 121.316 119.914 0.092 0.000 3.572 255 V HA 0.313 4.439 4.120 0.009 0.000 0.260 255 V C -0.219 175.969 176.094 0.156 0.000 1.324 255 V CA -0.115 62.242 62.300 0.096 0.000 1.068 255 V CB 0.213 32.057 31.823 0.035 0.000 0.837 255 V HN 0.499 nan 8.190 nan 0.000 0.450 256 L N 1.697 123.055 121.223 0.225 0.000 2.641 256 L HA 0.562 4.908 4.340 0.009 0.000 0.261 256 L C -1.260 175.496 176.870 -0.191 0.000 0.926 256 L CA -0.239 54.632 54.840 0.052 0.000 0.917 256 L CB 1.945 43.993 42.059 -0.019 0.000 1.361 256 L HN 0.205 nan 8.230 nan 0.000 0.417 257 N N 3.008 121.288 118.700 -0.699 0.000 2.430 257 N HA 0.136 4.881 4.740 0.009 0.000 0.265 257 N C 1.083 176.218 175.510 -0.625 0.000 1.100 257 N CA 0.286 52.596 53.050 -1.234 0.000 0.961 257 N CB 1.708 39.308 38.487 -1.478 0.000 1.075 257 N HN 0.630 nan 8.380 nan 0.000 0.478 258 V N 2.886 122.450 119.914 -0.583 0.000 3.241 258 V HA -0.146 3.980 4.120 0.009 0.000 0.269 258 V C 1.987 177.911 176.094 -0.282 0.000 1.151 258 V CA 1.506 63.536 62.300 -0.449 0.000 1.158 258 V CB -0.893 30.430 31.823 -0.834 0.000 0.764 258 V HN 0.765 nan 8.190 nan 0.000 0.508 259 K N 0.302 120.525 120.400 -0.296 0.000 2.280 259 K HA -0.140 4.186 4.320 0.009 0.000 0.202 259 K C 1.595 178.122 176.600 -0.122 0.000 1.047 259 K CA 1.663 57.846 56.287 -0.173 0.000 0.942 259 K CB -0.264 32.128 32.500 -0.181 0.000 0.739 259 K HN 0.475 nan 8.250 nan 0.000 0.457 260 E N 0.650 120.760 120.200 -0.149 0.000 2.435 260 E HA 0.079 4.434 4.350 0.009 0.000 0.195 260 E C 0.599 177.174 176.600 -0.041 0.000 1.029 260 E CA 0.410 56.756 56.400 -0.090 0.000 0.865 260 E CB -0.017 29.622 29.700 -0.101 0.000 0.833 260 E HN 0.454 nan 8.360 nan 0.000 0.510 261 M N 0.742 120.324 119.600 -0.030 0.000 2.255 261 M HA 0.084 4.570 4.480 0.009 0.000 0.336 261 M C 1.327 177.655 176.300 0.046 0.000 1.135 261 M CA -0.112 55.210 55.300 0.037 0.000 1.145 261 M CB 0.855 33.510 32.600 0.092 0.000 1.473 261 M HN -0.328 nan 8.290 nan 0.000 0.462 262 K N 1.588 122.018 120.400 0.051 0.000 2.262 262 K HA 0.258 4.583 4.320 0.009 0.000 0.200 262 K C 0.491 177.110 176.600 0.032 0.000 1.049 262 K CA 0.612 56.913 56.287 0.023 0.000 0.979 262 K CB -0.177 32.312 32.500 -0.018 0.000 0.773 262 K HN 0.592 nan 8.250 nan 0.000 0.474 263 L N 1.971 123.233 121.223 0.065 0.000 2.464 263 L HA 0.055 4.400 4.340 0.009 0.000 0.264 263 L C 0.731 177.627 176.870 0.044 0.000 1.199 263 L CA -0.172 54.695 54.840 0.045 0.000 0.818 263 L CB 0.735 42.841 42.059 0.079 0.000 1.102 263 L HN 0.100 nan 8.230 nan 0.000 0.473 264 S N -0.291 115.348 115.700 -0.102 0.000 2.685 264 S HA 0.919 5.395 4.470 0.009 0.000 0.282 264 S C -0.359 173.894 174.600 -0.578 0.000 1.159 264 S CA -0.304 57.753 58.200 -0.238 0.000 0.833 264 S CB 1.937 65.109 63.200 -0.047 0.000 1.151 264 S HN 1.238 nan 8.310 nan 0.000 0.485 265 G N 0.300 108.666 108.800 -0.723 0.000 3.055 265 G HA2 -0.089 3.876 3.960 0.009 0.000 0.686 265 G HA3 -0.089 3.876 3.960 0.009 0.000 0.686 265 G C 0.072 174.374 174.900 -0.997 0.000 1.087 265 G CA 0.035 44.700 45.100 -0.725 0.000 0.779 265 G HN 0.943 nan 8.290 nan 0.000 0.599 266 Q N 0.626 120.145 119.800 -0.468 0.000 2.112 266 Q HA -0.242 4.104 4.340 0.009 0.000 0.206 266 Q C 2.356 178.278 176.000 -0.129 0.000 0.987 266 Q CA 2.312 58.021 55.803 -0.157 0.000 0.858 266 Q CB -0.172 28.619 28.738 0.089 0.000 0.905 266 Q HN 0.977 nan 8.270 nan 0.000 0.420 267 H N -1.330 117.676 119.070 -0.108 0.000 2.491 267 H HA 0.016 4.578 4.556 0.009 0.000 0.290 267 H C 1.179 176.470 175.328 -0.062 0.000 1.050 267 H CA 1.032 57.056 56.048 -0.040 0.000 1.309 267 H CB -0.125 29.608 29.762 -0.048 0.000 1.392 267 H HN 0.279 nan 8.280 nan 0.000 0.554 268 N N 0.590 118.956 118.700 -0.557 0.000 2.376 268 N HA -0.087 4.658 4.740 0.009 0.000 0.177 268 N C 1.443 176.887 175.510 -0.110 0.000 1.024 268 N CA 0.479 53.344 53.050 -0.308 0.000 0.893 268 N CB -0.254 37.997 38.487 -0.392 0.000 0.980 268 N HN 0.317 nan 8.380 nan 0.000 0.439 269 Y N 1.370 121.633 120.300 -0.062 0.000 2.200 269 Y HA -0.095 4.460 4.550 0.009 0.000 0.290 269 Y C 2.724 178.636 175.900 0.020 0.000 1.137 269 Y CA 1.206 59.300 58.100 -0.010 0.000 1.163 269 Y CB -1.357 37.111 38.460 0.014 0.000 0.988 269 Y HN 0.155 nan 8.280 nan 0.000 0.518 270 T N -2.465 112.208 114.554 0.198 0.000 2.951 270 T HA -0.096 4.260 4.350 0.009 0.000 0.268 270 T C 1.693 176.356 174.700 -0.062 0.000 1.073 270 T CA 1.112 63.321 62.100 0.182 0.000 1.134 270 T CB -0.364 68.719 68.868 0.358 0.000 0.884 270 T HN 0.139 nan 8.240 nan 0.000 0.479 271 N N 2.458 121.131 118.700 -0.045 0.000 2.069 271 N HA 0.011 4.757 4.740 0.009 0.000 0.191 271 N C 2.240 177.650 175.510 -0.165 0.000 1.031 271 N CA 1.684 54.654 53.050 -0.133 0.000 0.852 271 N CB -0.895 37.567 38.487 -0.043 0.000 1.018 271 N HN 0.621 nan 8.380 nan 0.000 0.423 272 A N 1.086 123.870 122.820 -0.059 0.000 1.902 272 A HA -0.065 4.261 4.320 0.009 0.000 0.217 272 A C 2.397 179.938 177.584 -0.073 0.000 1.181 272 A CA 0.947 52.959 52.037 -0.041 0.000 0.623 272 A CB -0.744 18.288 19.000 0.054 0.000 0.818 272 A HN 0.233 nan 8.150 nan 0.000 0.443 273 L N -0.841 120.348 121.223 -0.057 0.000 2.017 273 L HA -0.219 4.126 4.340 0.009 0.000 0.208 273 L C 3.125 179.813 176.870 -0.304 0.000 1.073 273 L CA 1.176 55.997 54.840 -0.033 0.000 0.745 273 L CB -0.615 41.518 42.059 0.124 0.000 0.894 273 L HN 0.448 nan 8.230 nan 0.000 0.432 274 A N -0.023 122.421 122.820 -0.627 0.000 1.902 274 A HA -0.163 4.163 4.320 0.009 0.000 0.217 274 A C 2.528 179.861 177.584 -0.418 0.000 1.181 274 A CA 1.734 53.298 52.037 -0.788 0.000 0.623 274 A CB -0.691 17.623 19.000 -1.143 0.000 0.818 274 A HN 0.410 nan 8.150 nan 0.000 0.443 275 A N -0.670 121.965 122.820 -0.307 0.000 1.902 275 A HA -0.026 4.299 4.320 0.009 0.000 0.217 275 A C 2.117 179.601 177.584 -0.167 0.000 1.181 275 A CA 1.712 53.624 52.037 -0.209 0.000 0.623 275 A CB -0.584 18.305 19.000 -0.185 0.000 0.818 275 A HN 0.584 nan 8.150 nan 0.000 0.443 276 L N -0.268 120.869 121.223 -0.143 0.000 2.046 276 L HA -0.053 4.293 4.340 0.009 0.000 0.208 276 L C 2.720 179.513 176.870 -0.128 0.000 1.077 276 L CA 2.056 56.864 54.840 -0.054 0.000 0.747 276 L CB -0.772 41.338 42.059 0.085 0.000 0.896 276 L HN 0.353 nan 8.230 nan 0.000 0.432 277 A N -0.760 121.771 122.820 -0.482 0.000 1.933 277 A HA -0.171 4.155 4.320 0.009 0.000 0.218 277 A C 2.247 179.682 177.584 -0.248 0.000 1.175 277 A CA 1.968 53.586 52.037 -0.699 0.000 0.628 277 A CB -0.807 17.566 19.000 -1.045 0.000 0.814 277 A HN 0.487 nan 8.150 nan 0.000 0.444 278 L N -0.936 120.173 121.223 -0.191 0.000 2.056 278 L HA -0.139 4.207 4.340 0.009 0.000 0.207 278 L C 3.105 179.942 176.870 -0.054 0.000 1.078 278 L CA 1.002 55.785 54.840 -0.095 0.000 0.749 278 L CB -0.554 41.449 42.059 -0.093 0.000 0.901 278 L HN 0.413 nan 8.230 nan 0.000 0.433 279 A N -0.061 122.724 122.820 -0.058 0.000 1.902 279 A HA -0.238 4.087 4.320 0.009 0.000 0.217 279 A C 1.944 179.530 177.584 0.003 0.000 1.181 279 A CA 2.020 54.041 52.037 -0.026 0.000 0.623 279 A CB -0.567 18.416 19.000 -0.028 0.000 0.818 279 A HN 0.350 nan 8.150 nan 0.000 0.443 280 D N 0.107 120.521 120.400 0.024 0.000 2.104 280 D HA -0.089 4.556 4.640 0.009 0.000 0.194 280 D C 2.219 178.549 176.300 0.049 0.000 0.994 280 D CA 1.674 55.713 54.000 0.065 0.000 0.830 280 D CB -0.477 40.414 40.800 0.152 0.000 0.959 280 D HN 0.427 nan 8.370 nan 0.000 0.452 281 A N 0.758 123.598 122.820 0.034 0.000 1.969 281 A HA 0.017 4.342 4.320 0.009 0.000 0.218 281 A C 2.173 179.772 177.584 0.025 0.000 1.169 281 A CA 1.811 53.867 52.037 0.032 0.000 0.635 281 A CB -0.455 18.558 19.000 0.022 0.000 0.810 281 A HN 0.226 nan 8.150 nan 0.000 0.445 282 A N -1.811 121.019 122.820 0.016 0.000 2.235 282 A HA 0.400 4.726 4.320 0.009 0.000 0.208 282 A C 1.755 179.347 177.584 0.014 0.000 1.172 282 A CA 1.222 53.268 52.037 0.016 0.000 0.786 282 A CB -0.899 18.106 19.000 0.008 0.000 0.804 282 A HN 1.871 nan 8.150 nan 0.000 0.479 283 G N -1.352 107.458 108.800 0.018 0.000 2.141 283 G HA2 -0.196 3.770 3.960 0.009 0.000 0.242 283 G HA3 -0.196 3.770 3.960 0.009 0.000 0.242 283 G C 0.042 174.950 174.900 0.013 0.000 0.982 283 G CA 0.169 45.279 45.100 0.017 0.000 0.662 283 G HN 0.419 nan 8.290 nan 0.000 0.527 284 L N 0.958 122.187 121.223 0.010 0.000 2.397 284 L HA 0.384 4.730 4.340 0.009 0.000 0.271 284 L C -1.567 175.311 176.870 0.013 0.000 1.148 284 L CA -1.960 52.884 54.840 0.006 0.000 0.825 284 L CB 0.548 42.606 42.059 -0.001 0.000 1.117 284 L HN -0.090 nan 8.230 nan 0.000 0.456 285 P HA 0.044 nan 4.420 nan 0.000 0.267 285 P C 0.047 177.358 177.300 0.018 0.000 1.205 285 P CA -0.296 62.812 63.100 0.014 0.000 0.765 285 P CB 0.686 32.391 31.700 0.009 0.000 0.828 286 R N 4.915 125.429 120.500 0.023 0.000 2.083 286 R HA -0.184 4.162 4.340 0.009 0.000 0.237 286 R C 1.884 178.199 176.300 0.024 0.000 1.137 286 R CA 2.386 58.504 56.100 0.030 0.000 0.951 286 R CB -1.397 28.921 30.300 0.030 0.000 0.851 286 R HN 0.508 nan 8.270 nan 0.000 0.434 287 A N -0.270 122.561 122.820 0.019 0.000 1.902 287 A HA -0.159 4.166 4.320 0.009 0.000 0.217 287 A C 2.201 179.795 177.584 0.016 0.000 1.181 287 A CA 2.034 54.082 52.037 0.017 0.000 0.623 287 A CB -0.871 18.138 19.000 0.014 0.000 0.818 287 A HN 0.603 nan 8.150 nan 0.000 0.443 288 S N -0.512 115.196 115.700 0.013 0.000 2.406 288 S HA -0.078 4.397 4.470 0.009 0.000 0.228 288 S C 1.975 176.580 174.600 0.009 0.000 1.020 288 S CA 1.287 59.493 58.200 0.011 0.000 0.965 288 S CB -0.509 62.695 63.200 0.007 0.000 0.798 288 S HN 0.431 nan 8.310 nan 0.000 0.488 289 S N 2.471 118.177 115.700 0.009 0.000 2.368 289 S HA 0.090 4.566 4.470 0.009 0.000 0.225 289 S C 1.790 176.396 174.600 0.010 0.000 1.030 289 S CA 1.292 59.495 58.200 0.005 0.000 0.999 289 S CB -0.587 62.618 63.200 0.009 0.000 0.844 289 S HN 0.449 nan 8.310 nan 0.000 0.459 290 L N 1.000 122.235 121.223 0.019 0.000 2.093 290 L HA -0.098 4.248 4.340 0.009 0.000 0.208 290 L C 2.509 179.391 176.870 0.019 0.000 1.085 290 L CA 1.071 55.923 54.840 0.021 0.000 0.755 290 L CB -0.450 41.624 42.059 0.026 0.000 0.904 290 L HN 0.192 nan 8.230 nan 0.000 0.435 291 K N 0.980 121.391 120.400 0.018 0.000 2.063 291 K HA -0.144 4.181 4.320 0.009 0.000 0.208 291 K C 2.043 178.661 176.600 0.029 0.000 1.048 291 K CA 1.709 58.008 56.287 0.020 0.000 0.928 291 K CB -0.460 32.050 32.500 0.018 0.000 0.713 291 K HN 0.211 nan 8.250 nan 0.000 0.442 292 A N 0.630 123.465 122.820 0.026 0.000 1.978 292 A HA -0.109 4.217 4.320 0.009 0.000 0.220 292 A C 2.207 179.829 177.584 0.063 0.000 1.170 292 A CA 1.548 53.608 52.037 0.038 0.000 0.636 292 A CB -0.666 18.337 19.000 0.006 0.000 0.810 292 A HN 0.348 nan 8.150 nan 0.000 0.448 293 L N -0.133 121.116 121.223 0.043 0.000 2.191 293 L HA -0.137 4.209 4.340 0.009 0.000 0.212 293 L C 2.746 179.672 176.870 0.093 0.000 1.103 293 L CA 1.727 56.605 54.840 0.064 0.000 0.769 293 L CB -0.525 41.555 42.059 0.035 0.000 0.908 293 L HN 0.701 nan 8.230 nan 0.000 0.438 294 T N -5.921 108.671 114.554 0.064 0.000 3.057 294 T HA -0.042 4.313 4.350 0.009 0.000 0.254 294 T C 1.664 176.399 174.700 0.058 0.000 1.094 294 T CA 0.762 62.891 62.100 0.047 0.000 1.088 294 T CB -0.171 68.707 68.868 0.016 0.000 0.934 294 T HN 0.362 nan 8.240 nan 0.000 0.497 295 T N -1.151 113.452 114.554 0.083 0.000 3.051 295 T HA 0.274 4.629 4.350 0.009 0.000 0.255 295 T C 0.365 175.131 174.700 0.110 0.000 1.085 295 T CA -0.557 61.590 62.100 0.078 0.000 1.109 295 T CB -0.673 68.238 68.868 0.071 0.000 0.921 295 T HN 0.286 nan 8.240 nan 0.000 0.488 296 F N 4.446 124.398 119.950 0.003 0.000 2.543 296 F HA 0.346 4.879 4.527 0.010 0.000 0.375 296 F C 1.487 177.292 175.800 0.008 0.000 1.075 296 F CA -0.312 57.690 58.000 0.004 0.000 1.225 296 F CB 1.095 40.097 39.000 0.002 0.000 1.099 296 F HN 0.167 nan 8.300 nan 0.000 0.561 297 T N 2.037 116.201 114.554 -0.650 0.000 3.060 297 T HA 0.508 4.863 4.350 0.009 0.000 0.249 297 T C 0.701 175.031 174.700 -0.616 0.000 1.079 297 T CA 0.199 62.014 62.100 -0.474 0.000 1.013 297 T CB -0.614 68.097 68.868 -0.263 0.000 0.975 297 T HN 1.387 nan 8.240 nan 0.000 0.518 298 G N 0.975 109.004 108.800 -1.286 0.000 2.674 298 G HA2 0.065 4.030 3.960 0.009 0.000 0.686 298 G HA3 0.065 4.030 3.960 0.009 0.000 0.686 298 G C -0.994 173.677 174.900 -0.381 0.000 1.195 298 G CA -1.010 43.683 45.100 -0.679 0.000 0.776 298 G HN 0.479 nan 8.290 nan 0.000 0.654 299 L N 2.835 124.022 121.223 -0.060 0.000 2.395 299 L HA 0.410 4.756 4.340 0.009 0.000 0.269 299 L C -1.255 175.584 176.870 -0.052 0.000 1.133 299 L CA -1.778 53.063 54.840 0.001 0.000 0.812 299 L CB 1.035 43.157 42.059 0.106 0.000 1.125 299 L HN 0.441 nan 8.230 nan 0.000 0.452 300 P HA -0.018 nan 4.420 nan 0.000 0.266 300 P C -0.338 176.817 177.300 -0.241 0.000 1.195 300 P CA 0.374 63.344 63.100 -0.218 0.000 0.768 300 P CB 0.274 31.747 31.700 -0.380 0.000 0.838 301 H N -1.621 117.469 119.070 0.033 0.000 3.642 301 H HA -0.156 4.406 4.556 0.009 0.000 0.185 301 H C -0.115 175.234 175.328 0.035 0.000 0.992 301 H CA 0.116 56.177 56.048 0.022 0.000 1.216 301 H CB -1.244 28.533 29.762 0.024 0.000 1.055 301 H HN 0.367 nan 8.280 nan 0.000 0.351 302 R N 0.546 121.137 120.500 0.151 0.000 2.278 302 R HA 0.254 4.599 4.340 0.009 0.000 0.322 302 R C -0.582 175.854 176.300 0.226 0.000 1.058 302 R CA -0.684 55.515 56.100 0.165 0.000 0.991 302 R CB -0.194 30.194 30.300 0.146 0.000 1.140 302 R HN 0.268 nan 8.270 nan 0.000 0.518 303 F N 1.114 121.091 119.950 0.046 0.000 2.642 303 F HA -0.318 4.214 4.527 0.009 0.000 0.200 303 F C -0.026 175.801 175.800 0.044 0.000 1.041 303 F CA 0.977 58.999 58.000 0.038 0.000 0.851 303 F CB -0.185 38.845 39.000 0.051 0.000 0.727 303 F HN 0.519 nan 8.300 nan 0.000 0.848 304 E N 2.003 122.186 120.200 -0.029 0.000 2.133 304 E HA 0.432 4.788 4.350 0.009 0.000 0.274 304 E C -0.682 175.900 176.600 -0.031 0.000 0.930 304 E CA -0.809 55.596 56.400 0.009 0.000 0.770 304 E CB 1.308 31.045 29.700 0.061 0.000 1.104 304 E HN 0.132 nan 8.360 nan 0.000 0.403 305 V N 6.034 125.940 119.914 -0.013 0.000 2.446 305 V HA -0.021 4.105 4.120 0.009 0.000 0.276 305 V C 1.270 177.406 176.094 0.070 0.000 1.030 305 V CA 0.162 62.475 62.300 0.023 0.000 1.033 305 V CB 0.686 32.531 31.823 0.037 0.000 0.993 305 V HN 0.699 nan 8.190 nan 0.000 0.477 306 V N 3.270 123.259 119.914 0.126 0.000 3.565 306 V HA 0.472 4.597 4.120 0.009 0.000 0.260 306 V C 0.136 176.257 176.094 0.044 0.000 1.231 306 V CA 0.349 62.706 62.300 0.096 0.000 1.100 306 V CB 0.526 32.430 31.823 0.135 0.000 0.807 306 V HN 0.538 nan 8.190 nan 0.000 0.454 307 L N 0.897 122.183 121.223 0.105 0.000 2.565 307 L HA 0.615 4.961 4.340 0.009 0.000 0.261 307 L C -1.483 175.520 176.870 0.221 0.000 0.932 307 L CA -0.327 54.555 54.840 0.069 0.000 0.878 307 L CB 2.248 44.215 42.059 -0.153 0.000 1.333 307 L HN 0.269 nan 8.230 nan 0.000 0.409 308 E N 4.648 124.951 120.200 0.173 0.000 2.186 308 E HA 0.393 4.749 4.350 0.009 0.000 0.255 308 E C -1.436 175.304 176.600 0.233 0.000 0.881 308 E CA -0.492 56.029 56.400 0.203 0.000 0.752 308 E CB 1.431 31.209 29.700 0.131 0.000 1.176 308 E HN 0.533 nan 8.360 nan 0.000 0.421 309 H N 3.446 122.598 119.070 0.137 0.000 2.947 309 H HA 0.140 4.704 4.556 0.014 0.000 0.354 309 H C -0.443 174.949 175.328 0.107 0.000 1.085 309 H CA -0.543 55.556 56.048 0.086 0.000 1.253 309 H CB 1.007 30.789 29.762 0.034 0.000 1.757 309 H HN 0.456 nan 8.280 nan 0.000 0.523 310 N N 2.800 121.249 118.700 -0.418 0.000 2.725 310 N HA -0.178 4.567 4.740 0.009 0.000 0.249 310 N C 0.927 176.383 175.510 -0.089 0.000 1.103 310 N CA 1.708 54.576 53.050 -0.305 0.000 0.707 310 N CB -1.408 36.851 38.487 -0.380 0.000 1.043 310 N HN 1.055 nan 8.380 nan 0.000 0.553 311 G N -2.907 105.875 108.800 -0.030 0.000 2.141 311 G HA2 -0.250 3.716 3.960 0.009 0.000 0.242 311 G HA3 -0.250 3.716 3.960 0.009 0.000 0.242 311 G C -0.190 174.725 174.900 0.026 0.000 0.982 311 G CA 0.273 45.377 45.100 0.006 0.000 0.662 311 G HN 0.580 nan 8.290 nan 0.000 0.527 312 V N 0.295 120.247 119.914 0.063 0.000 2.638 312 V HA 0.612 4.738 4.120 0.009 0.000 0.306 312 V C 0.356 176.518 176.094 0.113 0.000 1.052 312 V CA -1.021 61.302 62.300 0.038 0.000 0.885 312 V CB 1.844 33.679 31.823 0.020 0.000 0.999 312 V HN 0.328 nan 8.190 nan 0.000 0.424 313 R N 2.830 123.342 120.500 0.020 0.000 2.346 313 R HA 0.441 4.786 4.340 0.009 0.000 0.311 313 R C -1.691 174.616 176.300 0.012 0.000 0.983 313 R CA -0.428 55.728 56.100 0.094 0.000 0.880 313 R CB 1.435 31.766 30.300 0.052 0.000 1.100 313 R HN 0.636 nan 8.270 nan 0.000 0.453 314 W N 4.952 126.278 121.300 0.043 0.000 2.376 314 W HA 0.443 5.107 4.660 0.007 0.000 0.312 314 W C -0.317 176.280 176.519 0.131 0.000 1.060 314 W CA -0.313 57.098 57.345 0.109 0.000 1.221 314 W CB 0.794 30.276 29.460 0.036 0.000 1.281 314 W HN 0.282 nan 8.180 nan 0.000 0.456 315 I N 4.007 124.717 120.570 0.233 0.000 2.382 315 I HA 0.133 4.308 4.170 0.009 0.000 0.286 315 I C -0.029 175.977 176.117 -0.185 0.000 1.002 315 I CA -0.979 60.277 61.300 -0.073 0.000 1.135 315 I CB 1.297 39.013 38.000 -0.473 0.000 1.288 315 I HN 0.282 nan 8.210 nan 0.000 0.448 316 N N 5.070 123.719 118.700 -0.086 0.000 2.482 316 N HA 0.062 4.808 4.740 0.009 0.000 0.242 316 N C -0.463 174.938 175.510 -0.182 0.000 1.100 316 N CA 0.110 53.019 53.050 -0.235 0.000 0.946 316 N CB 0.451 39.022 38.487 0.141 0.000 1.227 316 N HN 0.455 nan 8.380 nan 0.000 0.508 317 D N 1.290 121.538 120.400 -0.254 0.000 2.892 317 D HA 0.128 4.773 4.640 0.009 0.000 0.291 317 D C 1.008 177.262 176.300 -0.077 0.000 1.341 317 D CA -0.071 53.889 54.000 -0.067 0.000 0.844 317 D CB 0.074 40.890 40.800 0.027 0.000 1.093 317 D HN 0.352 nan 8.370 nan 0.000 0.480 318 S N 0.031 115.654 115.700 -0.129 0.000 2.419 318 S HA -0.125 4.351 4.470 0.009 0.000 0.235 318 S C 1.673 176.255 174.600 -0.029 0.000 1.019 318 S CA 0.958 59.078 58.200 -0.133 0.000 0.982 318 S CB -0.024 63.025 63.200 -0.251 0.000 0.789 318 S HN 0.148 nan 8.310 nan 0.000 0.490 319 K N 1.458 121.885 120.400 0.046 0.000 2.505 319 K HA 0.261 4.586 4.320 0.009 0.000 0.192 319 K C 0.405 177.034 176.600 0.049 0.000 1.025 319 K CA 0.230 56.560 56.287 0.072 0.000 1.086 319 K CB -0.492 32.077 32.500 0.114 0.000 0.840 319 K HN 0.361 nan 8.250 nan 0.000 0.514 320 A N 2.068 124.907 122.820 0.031 0.000 2.666 320 A HA 0.121 4.446 4.320 0.009 0.000 0.301 320 A C 0.977 178.569 177.584 0.014 0.000 1.470 320 A CA -0.158 51.891 52.037 0.019 0.000 1.159 320 A CB -0.484 18.526 19.000 0.017 0.000 1.116 320 A HN 0.257 nan 8.150 nan 0.000 0.548 321 T N -0.988 113.574 114.554 0.012 0.000 3.134 321 T HA 0.278 4.633 4.350 0.009 0.000 0.260 321 T C 0.169 174.859 174.700 -0.016 0.000 1.027 321 T CA 0.060 62.165 62.100 0.008 0.000 0.913 321 T CB -0.774 68.103 68.868 0.014 0.000 1.046 321 T HN 0.760 nan 8.240 nan 0.000 0.553 322 N N -1.371 117.323 118.700 -0.011 0.000 2.934 322 N HA 0.392 5.137 4.740 0.009 0.000 0.253 322 N C 0.453 175.973 175.510 0.016 0.000 1.466 322 N CA -0.906 52.128 53.050 -0.026 0.000 0.858 322 N CB 0.982 39.414 38.487 -0.092 0.000 1.459 322 N HN -0.192 nan 8.380 nan 0.000 0.532 323 V N -0.022 119.900 119.914 0.014 0.000 2.407 323 V HA -0.076 4.050 4.120 0.009 0.000 0.248 323 V C 2.261 178.359 176.094 0.007 0.000 1.055 323 V CA 2.493 64.822 62.300 0.049 0.000 1.049 323 V CB -1.294 30.546 31.823 0.029 0.000 0.662 323 V HN 0.897 nan 8.190 nan 0.000 0.455 324 G N 0.270 109.060 108.800 -0.017 0.000 2.422 324 G HA2 -0.259 3.706 3.960 0.009 0.000 0.218 324 G HA3 -0.259 3.706 3.960 0.009 0.000 0.218 324 G C 1.825 176.676 174.900 -0.081 0.000 1.146 324 G CA 1.332 46.411 45.100 -0.035 0.000 0.769 324 G HN 0.651 nan 8.290 nan 0.000 0.547 325 S N -0.168 115.490 115.700 -0.070 0.000 2.414 325 S HA -0.058 4.418 4.470 0.009 0.000 0.227 325 S C 2.218 176.755 174.600 -0.106 0.000 1.022 325 S CA 1.709 59.848 58.200 -0.102 0.000 0.958 325 S CB -0.530 62.641 63.200 -0.049 0.000 0.797 325 S HN 0.237 nan 8.310 nan 0.000 0.493 326 T N 2.296 116.812 114.554 -0.064 0.000 2.857 326 T HA 0.011 4.366 4.350 0.009 0.000 0.266 326 T C 1.692 176.296 174.700 -0.159 0.000 1.048 326 T CA 1.242 63.302 62.100 -0.066 0.000 1.139 326 T CB -0.309 68.549 68.868 -0.016 0.000 0.874 326 T HN 0.507 nan 8.240 nan 0.000 0.455 327 E N 0.969 121.063 120.200 -0.177 0.000 2.085 327 E HA -0.149 4.206 4.350 0.009 0.000 0.194 327 E C 2.514 178.888 176.600 -0.376 0.000 0.994 327 E CA 1.128 57.328 56.400 -0.332 0.000 0.801 327 E CB -0.186 29.432 29.700 -0.136 0.000 0.743 327 E HN 0.483 nan 8.360 nan 0.000 0.453 328 A N 1.163 123.806 122.820 -0.296 0.000 1.969 328 A HA -0.081 4.244 4.320 0.009 0.000 0.218 328 A C 2.329 179.707 177.584 -0.345 0.000 1.169 328 A CA 1.563 53.374 52.037 -0.377 0.000 0.635 328 A CB -0.432 18.181 19.000 -0.645 0.000 0.810 328 A HN 0.304 nan 8.150 nan 0.000 0.445 329 A N -0.390 122.265 122.820 -0.275 0.000 1.898 329 A HA 0.028 4.354 4.320 0.009 0.000 0.216 329 A C 2.118 179.604 177.584 -0.164 0.000 1.181 329 A CA 1.470 53.384 52.037 -0.205 0.000 0.620 329 A CB -0.435 18.619 19.000 0.090 0.000 0.819 329 A HN 0.465 nan 8.150 nan 0.000 0.442 330 L N -0.832 120.241 121.223 -0.249 0.000 2.249 330 L HA 0.027 4.372 4.340 0.009 0.000 0.207 330 L C 0.790 177.496 176.870 -0.273 0.000 1.090 330 L CA 0.020 54.702 54.840 -0.264 0.000 0.802 330 L CB -0.459 41.346 42.059 -0.422 0.000 0.947 330 L HN 0.314 nan 8.230 nan 0.000 0.453 331 N N 1.121 119.588 118.700 -0.388 0.000 2.427 331 N HA 0.114 4.859 4.740 0.009 0.000 0.269 331 N C 0.915 176.420 175.510 -0.008 0.000 1.235 331 N CA 1.072 54.044 53.050 -0.130 0.000 0.934 331 N CB 0.571 39.008 38.487 -0.082 0.000 1.121 331 N HN 0.338 nan 8.380 nan 0.000 0.480 332 G N 2.486 111.330 108.800 0.073 0.000 2.148 332 G HA2 -0.285 3.681 3.960 0.009 0.000 0.254 332 G HA3 -0.285 3.681 3.960 0.009 0.000 0.254 332 G C 0.039 174.978 174.900 0.064 0.000 0.981 332 G CA 0.299 45.439 45.100 0.067 0.000 0.670 332 G HN 0.653 nan 8.290 nan 0.000 0.528 333 L N 1.214 122.467 121.223 0.051 0.000 2.455 333 L HA 0.612 4.958 4.340 0.009 0.000 0.272 333 L C 0.519 177.451 176.870 0.103 0.000 1.174 333 L CA -0.731 54.152 54.840 0.072 0.000 0.869 333 L CB 0.430 42.525 42.059 0.060 0.000 1.130 333 L HN 0.344 nan 8.230 nan 0.000 0.474 334 H N 4.122 123.227 119.070 0.058 0.000 2.552 334 H HA 0.629 5.191 4.556 0.010 0.000 0.311 334 H C -1.313 174.049 175.328 0.056 0.000 1.071 334 H CA -0.499 55.581 56.048 0.052 0.000 1.307 334 H CB 0.917 30.707 29.762 0.048 0.000 1.416 334 H HN 0.424 nan 8.280 nan 0.000 0.464 335 V N 5.905 125.467 119.914 -0.587 0.000 2.638 335 V HA 0.100 4.225 4.120 0.009 0.000 0.306 335 V C 0.329 176.133 176.094 -0.484 0.000 1.052 335 V CA -0.757 61.301 62.300 -0.403 0.000 0.885 335 V CB 2.058 33.779 31.823 -0.170 0.000 0.999 335 V HN 0.900 nan 8.190 nan 0.000 0.424 336 D N 2.902 123.115 120.400 -0.310 0.000 2.194 336 D HA 0.019 4.664 4.640 0.009 0.000 0.204 336 D C 1.232 177.487 176.300 -0.074 0.000 0.964 336 D CA 1.545 55.465 54.000 -0.135 0.000 0.846 336 D CB 0.690 41.492 40.800 0.004 0.000 0.962 336 D HN 0.716 nan 8.370 nan 0.000 0.490 337 G N -0.146 108.612 108.800 -0.070 0.000 3.345 337 G HA2 0.220 4.186 3.960 0.009 0.000 0.202 337 G HA3 0.220 4.186 3.960 0.009 0.000 0.202 337 G C -0.222 174.638 174.900 -0.066 0.000 1.740 337 G CA -0.056 45.019 45.100 -0.042 0.000 0.806 337 G HN 0.001 nan 8.290 nan 0.000 0.718 338 T N 0.867 115.381 114.554 -0.067 0.000 2.829 338 T HA 0.471 4.826 4.350 0.009 0.000 0.282 338 T C -0.799 173.774 174.700 -0.211 0.000 0.990 338 T CA -0.213 61.788 62.100 -0.166 0.000 1.028 338 T CB 1.775 70.496 68.868 -0.245 0.000 0.951 338 T HN 0.314 nan 8.240 nan 0.000 0.460 339 L N 4.851 125.948 121.223 -0.211 0.000 2.281 339 L HA 0.290 4.636 4.340 0.009 0.000 0.285 339 L C -0.338 176.392 176.870 -0.235 0.000 1.074 339 L CA -0.063 54.688 54.840 -0.149 0.000 0.817 339 L CB 0.030 42.047 42.059 -0.069 0.000 1.168 339 L HN 0.626 nan 8.230 nan 0.000 0.434 340 H N 6.577 125.670 119.070 0.038 0.000 2.685 340 H HA 0.303 4.861 4.556 0.004 0.000 0.286 340 H C -0.899 174.528 175.328 0.165 0.000 1.102 340 H CA -0.711 55.454 56.048 0.195 0.000 1.254 340 H CB 1.463 31.254 29.762 0.047 0.000 1.397 340 H HN 0.447 nan 8.280 nan 0.000 0.473 341 L N 4.914 126.311 121.223 0.291 0.000 2.287 341 L HA 0.331 4.676 4.340 0.009 0.000 0.287 341 L C -1.128 175.898 176.870 0.260 0.000 1.022 341 L CA -0.514 54.435 54.840 0.182 0.000 0.814 341 L CB 0.929 43.038 42.059 0.082 0.000 1.217 341 L HN 0.409 nan 8.230 nan 0.000 0.420 342 L N 6.442 127.794 121.223 0.215 0.000 2.282 342 L HA 0.573 4.919 4.340 0.009 0.000 0.288 342 L C -0.683 176.320 176.870 0.220 0.000 1.033 342 L CA -0.039 54.984 54.840 0.306 0.000 0.807 342 L CB 1.253 43.499 42.059 0.311 0.000 1.209 342 L HN 0.553 nan 8.230 nan 0.000 0.423 343 L N 2.900 124.210 121.223 0.145 0.000 2.388 343 L HA 1.000 5.345 4.340 0.009 0.000 0.264 343 L C 0.134 176.663 176.870 -0.569 0.000 0.998 343 L CA -0.645 54.108 54.840 -0.146 0.000 0.817 343 L CB 2.212 44.159 42.059 -0.187 0.000 1.338 343 L HN 0.726 nan 8.230 nan 0.000 0.414 344 G N 0.283 108.663 108.800 -0.700 0.000 2.351 344 G HA2 0.485 4.450 3.960 0.009 0.000 0.353 344 G HA3 0.485 4.450 3.960 0.009 0.000 0.353 344 G C -0.558 173.921 174.900 -0.703 0.000 1.358 344 G CA 0.206 44.743 45.100 -0.938 0.000 0.995 344 G HN 1.284 nan 8.290 nan 0.000 0.611 345 G N -0.407 108.155 108.800 -0.396 0.000 2.295 345 G HA2 0.437 4.403 3.960 0.009 0.000 0.195 345 G HA3 0.437 4.403 3.960 0.009 0.000 0.195 345 G C -1.163 173.741 174.900 0.008 0.000 1.269 345 G CA 0.821 45.891 45.100 -0.049 0.000 1.170 345 G HN 1.820 nan 8.290 nan 0.000 0.511 346 D N 1.024 121.469 120.400 0.075 0.000 2.380 346 D HA 0.530 5.176 4.640 0.009 0.000 0.230 346 D C 1.385 177.747 176.300 0.104 0.000 1.154 346 D CA 0.719 54.772 54.000 0.088 0.000 0.859 346 D CB 0.685 41.548 40.800 0.105 0.000 1.045 346 D HN 0.907 nan 8.370 nan 0.000 0.495 347 G N 2.928 111.816 108.800 0.146 0.000 2.920 347 G HA2 -0.095 3.870 3.960 0.009 0.000 0.208 347 G HA3 -0.095 3.870 3.960 0.009 0.000 0.208 347 G C 0.579 175.506 174.900 0.044 0.000 1.159 347 G CA -0.290 44.962 45.100 0.254 0.000 0.784 347 G HN 0.711 nan 8.290 nan 0.000 0.535 348 K N -0.235 120.181 120.400 0.027 0.000 3.035 348 K HA -0.218 4.107 4.320 0.009 0.000 0.262 348 K C 0.922 177.482 176.600 -0.066 0.000 1.024 348 K CA 0.402 56.681 56.287 -0.012 0.000 0.748 348 K CB -1.813 30.660 32.500 -0.044 0.000 1.247 348 K HN 0.291 nan 8.250 nan 0.000 0.482 349 S N -3.134 112.527 115.700 -0.064 0.000 3.561 349 S HA -0.257 4.218 4.470 0.009 0.000 0.318 349 S C 0.421 174.899 174.600 -0.204 0.000 1.181 349 S CA 0.752 58.894 58.200 -0.098 0.000 0.916 349 S CB -1.233 61.929 63.200 -0.064 0.000 0.966 349 S HN 0.802 nan 8.310 nan 0.000 0.550 350 A N 1.108 123.707 122.820 -0.369 0.000 2.386 350 A HA 0.469 4.794 4.320 0.009 0.000 0.248 350 A C 0.246 177.440 177.584 -0.651 0.000 1.082 350 A CA 0.028 51.718 52.037 -0.579 0.000 0.789 350 A CB 0.254 18.734 19.000 -0.866 0.000 1.025 350 A HN 0.373 nan 8.150 nan 0.000 0.490 351 D N 0.874 121.006 120.400 -0.446 0.000 2.347 351 D HA 0.355 5.001 4.640 0.009 0.000 0.235 351 D C -0.199 175.914 176.300 -0.313 0.000 1.149 351 D CA -0.212 53.612 54.000 -0.294 0.000 0.850 351 D CB -0.057 40.658 40.800 -0.141 0.000 1.061 351 D HN 0.283 nan 8.370 nan 0.000 0.487 352 F N 1.536 121.475 119.950 -0.018 0.000 2.789 352 F HA 0.001 4.535 4.527 0.010 0.000 0.300 352 F C 2.566 178.366 175.800 0.001 0.000 1.132 352 F CA 0.251 58.243 58.000 -0.013 0.000 1.404 352 F CB -0.275 38.712 39.000 -0.021 0.000 1.114 352 F HN 0.412 nan 8.300 nan 0.000 0.584 353 S N -0.071 115.708 115.700 0.132 0.000 2.442 353 S HA -0.095 4.380 4.470 0.009 0.000 0.236 353 S C -0.626 174.017 174.600 0.071 0.000 1.007 353 S CA 0.535 58.788 58.200 0.087 0.000 0.965 353 S CB -1.540 61.686 63.200 0.044 0.000 0.773 353 S HN 0.186 nan 8.310 nan 0.000 0.504 354 P HA 0.043 nan 4.420 nan 0.000 0.225 354 P C 1.166 178.563 177.300 0.162 0.000 1.148 354 P CA 0.715 63.867 63.100 0.087 0.000 0.779 354 P CB -0.165 31.585 31.700 0.085 0.000 0.780 355 L N -1.532 119.806 121.223 0.193 0.000 2.313 355 L HA -0.021 4.325 4.340 0.009 0.000 0.214 355 L C 2.361 179.352 176.870 0.202 0.000 1.119 355 L CA 0.842 55.844 54.840 0.270 0.000 0.809 355 L CB -0.956 41.216 42.059 0.189 0.000 0.933 355 L HN -0.040 nan 8.230 nan 0.000 0.449 356 A N 1.544 124.418 122.820 0.089 0.000 1.940 356 A HA -0.230 4.096 4.320 0.009 0.000 0.219 356 A C 2.349 179.914 177.584 -0.032 0.000 1.176 356 A CA 1.802 53.856 52.037 0.029 0.000 0.631 356 A CB -0.556 18.450 19.000 0.011 0.000 0.814 356 A HN 0.567 nan 8.150 nan 0.000 0.446 357 R N -2.086 118.335 120.500 -0.132 0.000 2.285 357 R HA -0.074 4.272 4.340 0.009 0.000 0.213 357 R C 0.895 176.977 176.300 -0.364 0.000 1.068 357 R CA 1.432 57.370 56.100 -0.270 0.000 1.004 357 R CB -0.517 29.562 30.300 -0.368 0.000 0.873 357 R HN 0.520 nan 8.270 nan 0.000 0.467 358 Y N 0.592 120.890 120.300 -0.002 0.000 2.466 358 Y HA 0.271 4.826 4.550 0.008 0.000 0.272 358 Y C 1.181 177.074 175.900 -0.011 0.000 1.169 358 Y CA 0.035 58.133 58.100 -0.004 0.000 1.285 358 Y CB 0.565 39.025 38.460 0.001 0.000 1.078 358 Y HN -0.032 nan 8.280 nan 0.000 0.523 359 L N 0.045 121.312 121.223 0.073 0.000 2.965 359 L HA 0.229 4.575 4.340 0.009 0.000 0.254 359 L C -0.151 176.719 176.870 -0.001 0.000 1.220 359 L CA -0.210 54.653 54.840 0.039 0.000 1.023 359 L CB -0.226 41.849 42.059 0.028 0.000 1.355 359 L HN 0.066 nan 8.230 nan 0.000 0.545 360 N N 1.151 119.846 118.700 -0.008 0.000 2.463 360 N HA 0.619 5.365 4.740 0.009 0.000 0.270 360 N C 0.536 176.035 175.510 -0.017 0.000 1.205 360 N CA 0.642 53.679 53.050 -0.020 0.000 0.974 360 N CB 1.637 40.107 38.487 -0.029 0.000 1.197 360 N HN 0.199 nan 8.380 nan 0.000 0.504 361 G N 0.368 109.155 108.800 -0.021 0.000 2.592 361 G HA2 -0.183 3.783 3.960 0.009 0.000 0.684 361 G HA3 -0.183 3.783 3.960 0.009 0.000 0.684 361 G C -0.759 174.124 174.900 -0.028 0.000 1.291 361 G CA -0.329 44.759 45.100 -0.021 0.000 0.891 361 G HN 0.546 nan 8.290 nan 0.000 0.544 362 D N 0.089 120.473 120.400 -0.028 0.000 2.339 362 D HA 0.143 4.789 4.640 0.009 0.000 0.217 362 D C 1.200 177.473 176.300 -0.045 0.000 1.050 362 D CA 0.305 54.286 54.000 -0.032 0.000 0.856 362 D CB 0.222 41.009 40.800 -0.022 0.000 0.922 362 D HN 0.279 nan 8.370 nan 0.000 0.518 363 N N 0.690 119.359 118.700 -0.052 0.000 2.389 363 N HA 0.133 4.879 4.740 0.009 0.000 0.260 363 N C -0.989 174.457 175.510 -0.106 0.000 1.191 363 N CA 0.045 53.051 53.050 -0.074 0.000 0.885 363 N CB 2.118 40.568 38.487 -0.061 0.000 1.162 363 N HN 0.048 nan 8.380 nan 0.000 0.512 364 V N 0.729 120.580 119.914 -0.105 0.000 2.686 364 V HA 0.539 4.664 4.120 0.009 0.000 0.306 364 V C -1.539 174.469 176.094 -0.142 0.000 1.065 364 V CA -0.649 61.580 62.300 -0.119 0.000 0.894 364 V CB 2.499 34.284 31.823 -0.063 0.000 1.004 364 V HN -0.010 nan 8.190 nan 0.000 0.424 365 R N 6.022 126.417 120.500 -0.176 0.000 2.575 365 R HA 0.629 4.975 4.340 0.009 0.000 0.293 365 R C -1.412 174.728 176.300 -0.267 0.000 0.983 365 R CA -0.578 55.381 56.100 -0.234 0.000 0.887 365 R CB 1.956 32.135 30.300 -0.202 0.000 1.184 365 R HN 0.734 nan 8.270 nan 0.000 0.445 366 L N 3.341 124.334 121.223 -0.383 0.000 2.317 366 L HA 0.540 4.886 4.340 0.009 0.000 0.281 366 L C -0.807 175.764 176.870 -0.497 0.000 1.024 366 L CA -0.911 53.769 54.840 -0.267 0.000 0.810 366 L CB 0.937 42.907 42.059 -0.148 0.000 1.240 366 L HN 0.461 nan 8.230 nan 0.000 0.427 367 Y N 1.280 121.629 120.300 0.080 0.000 2.363 367 Y HA 0.383 4.936 4.550 0.005 0.000 0.325 367 Y C -0.306 175.703 175.900 0.181 0.000 0.984 367 Y CA -0.734 57.441 58.100 0.125 0.000 1.248 367 Y CB 1.576 40.125 38.460 0.148 0.000 1.116 367 Y HN 0.470 nan 8.280 nan 0.000 0.470 368 C N 4.974 124.401 119.300 0.212 0.000 2.382 368 C HA 0.819 5.285 4.460 0.009 0.000 0.327 368 C C -0.228 174.867 174.990 0.174 0.000 1.250 368 C CA -1.022 58.051 59.018 0.091 0.000 1.707 368 C CB -0.865 26.843 27.740 -0.053 0.000 2.272 368 C HN 0.763 nan 8.230 nan 0.000 0.506 369 F N 0.136 120.110 119.950 0.040 0.000 2.726 369 F HA 0.956 5.488 4.527 0.009 0.000 0.324 369 F C 0.371 176.201 175.800 0.050 0.000 1.140 369 F CA -0.094 57.940 58.000 0.057 0.000 0.964 369 F CB 0.451 39.507 39.000 0.093 0.000 1.399 369 F HN 1.169 nan 8.300 nan 0.000 0.491 370 G N 0.739 109.664 108.800 0.208 0.000 2.693 370 G HA2 -0.270 3.696 3.960 0.009 0.000 0.226 370 G HA3 -0.270 3.696 3.960 0.009 0.000 0.226 370 G C 0.501 175.414 174.900 0.022 0.000 1.354 370 G CA 0.287 45.458 45.100 0.118 0.000 0.873 370 G HN 1.235 nan 8.290 nan 0.000 0.562 371 R N -0.481 120.035 120.500 0.026 0.000 2.096 371 R HA -0.109 4.237 4.340 0.009 0.000 0.240 371 R C 1.056 177.357 176.300 0.002 0.000 1.139 371 R CA 2.256 58.370 56.100 0.023 0.000 0.952 371 R CB -0.248 30.075 30.300 0.039 0.000 0.854 371 R HN 0.509 nan 8.270 nan 0.000 0.436 372 D N -1.001 119.382 120.400 -0.029 0.000 2.525 372 D HA 0.121 4.767 4.640 0.009 0.000 0.229 372 D C 1.003 177.232 176.300 -0.118 0.000 1.202 372 D CA 0.207 54.189 54.000 -0.030 0.000 0.828 372 D CB 0.758 41.587 40.800 0.048 0.000 1.008 372 D HN 0.438 nan 8.370 nan 0.000 0.493 373 G N 1.077 109.807 108.800 -0.118 0.000 2.442 373 G HA2 -0.261 3.704 3.960 0.009 0.000 0.219 373 G HA3 -0.261 3.704 3.960 0.009 0.000 0.219 373 G C 1.609 176.450 174.900 -0.098 0.000 1.141 373 G CA 0.931 45.949 45.100 -0.136 0.000 0.763 373 G HN 0.379 nan 8.290 nan 0.000 0.554 374 A N 0.213 123.001 122.820 -0.053 0.000 1.969 374 A HA -0.025 4.301 4.320 0.009 0.000 0.218 374 A C 2.264 179.823 177.584 -0.041 0.000 1.169 374 A CA 1.913 53.929 52.037 -0.034 0.000 0.635 374 A CB -0.395 18.599 19.000 -0.011 0.000 0.810 374 A HN 0.501 nan 8.150 nan 0.000 0.445 375 Q N -0.499 119.277 119.800 -0.041 0.000 2.172 375 Q HA -0.045 4.301 4.340 0.009 0.000 0.200 375 Q C 1.725 177.674 176.000 -0.085 0.000 0.964 375 Q CA 1.275 57.074 55.803 -0.007 0.000 0.855 375 Q CB -0.198 28.591 28.738 0.085 0.000 0.918 375 Q HN 0.621 nan 8.270 nan 0.000 0.444 376 L N 0.019 121.103 121.223 -0.230 0.000 2.179 376 L HA 0.049 4.394 4.340 0.009 0.000 0.208 376 L C 2.472 179.242 176.870 -0.166 0.000 1.096 376 L CA 0.793 55.441 54.840 -0.320 0.000 0.779 376 L CB -0.356 41.418 42.059 -0.476 0.000 0.922 376 L HN 0.264 nan 8.230 nan 0.000 0.443 377 A N 0.034 122.783 122.820 -0.118 0.000 2.015 377 A HA -0.083 4.242 4.320 0.009 0.000 0.219 377 A C 2.412 179.962 177.584 -0.058 0.000 1.163 377 A CA 1.393 53.383 52.037 -0.079 0.000 0.646 377 A CB -0.583 18.383 19.000 -0.057 0.000 0.806 377 A HN 0.356 nan 8.150 nan 0.000 0.448 378 A N -0.414 122.379 122.820 -0.045 0.000 2.172 378 A HA 0.126 4.451 4.320 0.009 0.000 0.216 378 A C 1.951 179.525 177.584 -0.016 0.000 1.154 378 A CA 0.907 52.931 52.037 -0.022 0.000 0.701 378 A CB -0.541 18.456 19.000 -0.005 0.000 0.789 378 A HN 0.492 nan 8.150 nan 0.000 0.465 379 L N -1.737 119.471 121.223 -0.024 0.000 2.046 379 L HA -0.054 4.291 4.340 0.009 0.000 0.208 379 L C 1.712 178.572 176.870 -0.017 0.000 1.077 379 L CA 1.254 56.089 54.840 -0.009 0.000 0.747 379 L CB -0.056 41.996 42.059 -0.013 0.000 0.896 379 L HN 0.418 nan 8.230 nan 0.000 0.432 380 R N -0.777 119.704 120.500 -0.032 0.000 3.101 380 R HA 0.147 4.492 4.340 0.009 0.000 0.242 380 R C -2.184 174.089 176.300 -0.045 0.000 1.831 380 R CA -0.909 55.170 56.100 -0.035 0.000 1.321 380 R CB 1.060 31.338 30.300 -0.036 0.000 1.512 380 R HN -0.184 nan 8.270 nan 0.000 0.568 381 P HA -0.174 nan 4.420 nan 0.000 0.222 381 P C 0.629 177.902 177.300 -0.046 0.000 1.147 381 P CA 1.013 64.089 63.100 -0.041 0.000 0.790 381 P CB 0.318 32.001 31.700 -0.028 0.000 0.780 382 E N 0.715 120.890 120.200 -0.042 0.000 2.274 382 E HA -0.064 4.291 4.350 0.009 0.000 0.194 382 E C 1.391 177.957 176.600 -0.056 0.000 0.996 382 E CA 1.259 57.635 56.400 -0.041 0.000 0.840 382 E CB -0.729 28.951 29.700 -0.033 0.000 0.772 382 E HN 0.273 nan 8.360 nan 0.000 0.491 383 V N -2.471 117.398 119.914 -0.075 0.000 3.176 383 V HA 0.662 4.788 4.120 0.009 0.000 0.332 383 V C 0.444 176.438 176.094 -0.167 0.000 1.414 383 V CA -0.276 61.960 62.300 -0.107 0.000 1.133 383 V CB 0.200 31.963 31.823 -0.100 0.000 1.088 383 V HN 0.283 nan 8.190 nan 0.000 0.473 384 A N 0.198 122.933 122.820 -0.141 0.000 2.337 384 A HA 0.881 5.207 4.320 0.009 0.000 0.329 384 A C -0.492 177.009 177.584 -0.139 0.000 1.146 384 A CA -0.548 51.391 52.037 -0.164 0.000 0.800 384 A CB 1.566 20.502 19.000 -0.106 0.000 1.220 384 A HN 0.533 nan 8.150 nan 0.000 0.472 385 E N 0.195 120.302 120.200 -0.155 0.000 2.256 385 E HA 0.474 4.830 4.350 0.009 0.000 0.267 385 E C -0.957 175.657 176.600 0.023 0.000 0.892 385 E CA -0.502 55.873 56.400 -0.042 0.000 0.775 385 E CB 2.025 31.730 29.700 0.008 0.000 1.207 385 E HN 0.658 nan 8.360 nan 0.000 0.420 386 Q N 1.631 121.460 119.800 0.050 0.000 2.333 386 Q HA 0.474 4.819 4.340 0.009 0.000 0.267 386 Q C -1.211 174.852 176.000 0.106 0.000 1.012 386 Q CA -0.551 55.297 55.803 0.075 0.000 0.824 386 Q CB 1.611 30.372 28.738 0.037 0.000 1.290 386 Q HN 0.723 nan 8.270 nan 0.000 0.449 387 T N -1.039 113.607 114.554 0.154 0.000 2.888 387 T HA 0.298 4.654 4.350 0.009 0.000 0.288 387 T C 0.632 175.425 174.700 0.155 0.000 1.063 387 T CA -0.746 61.439 62.100 0.141 0.000 1.010 387 T CB 1.546 70.503 68.868 0.149 0.000 1.214 387 T HN 0.705 nan 8.240 nan 0.000 0.533 388 E N 0.441 120.711 120.200 0.117 0.000 2.046 388 E HA -0.007 4.348 4.350 0.009 0.000 0.190 388 E C 0.768 177.472 176.600 0.172 0.000 0.982 388 E CA 1.230 57.698 56.400 0.114 0.000 0.800 388 E CB -0.004 29.733 29.700 0.062 0.000 0.756 388 E HN 0.844 nan 8.360 nan 0.000 0.449 389 T N -2.989 111.638 114.554 0.122 0.000 2.942 389 T HA 0.266 4.622 4.350 0.009 0.000 0.289 389 T C 0.953 175.588 174.700 -0.108 0.000 1.044 389 T CA -0.732 61.409 62.100 0.067 0.000 1.023 389 T CB 1.487 70.340 68.868 -0.025 0.000 1.123 389 T HN 0.065 nan 8.240 nan 0.000 0.512 390 M N 0.238 119.579 119.600 -0.433 0.000 2.132 390 M HA -0.035 4.451 4.480 0.009 0.000 0.263 390 M C 2.266 178.382 176.300 -0.307 0.000 1.065 390 M CA 1.939 56.721 55.300 -0.864 0.000 1.122 390 M CB -0.356 31.771 32.600 -0.788 0.000 1.365 390 M HN 0.967 nan 8.290 nan 0.000 0.411 391 E N -0.137 119.978 120.200 -0.142 0.000 2.110 391 E HA -0.262 4.094 4.350 0.009 0.000 0.193 391 E C 1.863 178.425 176.600 -0.063 0.000 0.988 391 E CA 1.553 57.906 56.400 -0.079 0.000 0.804 391 E CB -0.069 29.601 29.700 -0.051 0.000 0.745 391 E HN 0.659 nan 8.360 nan 0.000 0.458 392 Q N -0.008 119.764 119.800 -0.047 0.000 2.084 392 Q HA -0.168 4.177 4.340 0.009 0.000 0.202 392 Q C 2.243 178.247 176.000 0.006 0.000 0.978 392 Q CA 1.531 57.328 55.803 -0.009 0.000 0.844 392 Q CB -0.195 28.554 28.738 0.018 0.000 0.898 392 Q HN 0.384 nan 8.270 nan 0.000 0.426 393 A N 0.646 123.469 122.820 0.004 0.000 1.933 393 A HA -0.187 4.138 4.320 0.009 0.000 0.218 393 A C 2.037 179.581 177.584 -0.066 0.000 1.175 393 A CA 1.419 53.484 52.037 0.048 0.000 0.628 393 A CB -0.460 18.609 19.000 0.114 0.000 0.814 393 A HN 0.300 nan 8.150 nan 0.000 0.444 394 M N -1.258 118.298 119.600 -0.073 0.000 2.175 394 M HA -0.100 4.386 4.480 0.009 0.000 0.264 394 M C 2.283 178.547 176.300 -0.061 0.000 1.063 394 M CA 1.281 56.544 55.300 -0.061 0.000 1.119 394 M CB -0.267 32.320 32.600 -0.022 0.000 1.377 394 M HN 0.335 nan 8.290 nan 0.000 0.415 395 R N -0.041 120.430 120.500 -0.048 0.000 2.189 395 R HA -0.063 4.283 4.340 0.009 0.000 0.218 395 R C 2.067 178.351 176.300 -0.026 0.000 1.074 395 R CA 0.743 56.822 56.100 -0.035 0.000 0.991 395 R CB -0.296 29.987 30.300 -0.029 0.000 0.883 395 R HN 0.250 nan 8.270 nan 0.000 0.457 396 L N 1.264 122.474 121.223 -0.021 0.000 2.072 396 L HA -0.085 4.261 4.340 0.009 0.000 0.205 396 L C 1.934 178.786 176.870 -0.030 0.000 1.079 396 L CA 1.467 56.318 54.840 0.019 0.000 0.752 396 L CB -0.238 41.883 42.059 0.103 0.000 0.906 396 L HN 0.123 nan 8.230 nan 0.000 0.436 397 L N -1.918 119.167 121.223 -0.229 0.000 2.240 397 L HA 0.300 4.645 4.340 0.009 0.000 0.211 397 L C 2.443 179.147 176.870 -0.276 0.000 1.106 397 L CA 1.567 56.153 54.840 -0.424 0.000 0.793 397 L CB -1.746 39.649 42.059 -1.106 0.000 0.927 397 L HN 0.060 nan 8.230 nan 0.000 0.446 398 A N 0.896 123.632 122.820 -0.139 0.000 1.948 398 A HA -0.069 4.257 4.320 0.009 0.000 0.220 398 A C 0.441 178.005 177.584 -0.033 0.000 1.177 398 A CA 1.974 53.999 52.037 -0.020 0.000 0.636 398 A CB -2.035 17.003 19.000 0.064 0.000 0.815 398 A HN 0.499 nan 8.150 nan 0.000 0.449 399 P HA -0.073 nan 4.420 nan 0.000 0.223 399 P C 1.148 178.438 177.300 -0.017 0.000 1.151 399 P CA 0.906 64.000 63.100 -0.010 0.000 0.787 399 P CB -0.018 31.684 31.700 0.005 0.000 0.788 400 R N -1.211 119.261 120.500 -0.046 0.000 2.276 400 R HA 0.126 4.472 4.340 0.009 0.000 0.196 400 R C 0.195 176.458 176.300 -0.063 0.000 0.961 400 R CA 0.002 56.099 56.100 -0.004 0.000 1.024 400 R CB -0.117 30.242 30.300 0.099 0.000 0.940 400 R HN 0.057 nan 8.270 nan 0.000 0.480 401 V N 2.716 122.506 119.914 -0.206 0.000 2.572 401 V HA 0.007 4.132 4.120 0.009 0.000 0.291 401 V C 0.265 176.330 176.094 -0.048 0.000 1.039 401 V CA 0.306 62.462 62.300 -0.241 0.000 1.055 401 V CB 1.105 32.731 31.823 -0.329 0.000 0.969 401 V HN 0.156 nan 8.190 nan 0.000 0.482 402 Q N 4.968 124.775 119.800 0.012 0.000 2.359 402 Q HA 0.471 4.817 4.340 0.009 0.000 0.275 402 Q C -2.600 173.406 176.000 0.011 0.000 1.082 402 Q CA -2.498 53.318 55.803 0.022 0.000 0.849 402 Q CB 1.539 30.302 28.738 0.042 0.000 1.377 402 Q HN 0.378 nan 8.270 nan 0.000 0.452 403 P HA 0.059 nan 4.420 nan 0.000 0.263 403 P C 0.534 177.839 177.300 0.007 0.000 1.195 403 P CA 1.220 64.321 63.100 0.002 0.000 0.762 403 P CB 0.257 31.956 31.700 -0.002 0.000 0.799 404 G N 1.939 110.743 108.800 0.006 0.000 2.213 404 G HA2 -0.173 3.792 3.960 0.009 0.000 0.226 404 G HA3 -0.173 3.792 3.960 0.009 0.000 0.226 404 G C 0.066 174.959 174.900 -0.011 0.000 0.992 404 G CA -0.327 44.776 45.100 0.004 0.000 0.632 404 G HN 0.479 nan 8.290 nan 0.000 0.511 405 D N 0.180 120.577 120.400 -0.006 0.000 2.383 405 D HA 0.604 5.250 4.640 0.009 0.000 0.248 405 D C 0.625 176.896 176.300 -0.047 0.000 1.170 405 D CA 0.114 54.115 54.000 0.002 0.000 0.977 405 D CB 0.961 41.813 40.800 0.086 0.000 1.120 405 D HN 0.390 nan 8.370 nan 0.000 0.481 406 M N 0.611 120.188 119.600 -0.039 0.000 2.395 406 M HA 0.417 4.902 4.480 0.009 0.000 0.307 406 M C -1.907 174.325 176.300 -0.113 0.000 1.091 406 M CA -0.783 54.459 55.300 -0.097 0.000 0.919 406 M CB 1.805 34.374 32.600 -0.051 0.000 1.662 406 M HN -0.016 nan 8.290 nan 0.000 0.440 407 V N 5.536 125.273 119.914 -0.296 0.000 2.357 407 V HA 0.469 4.595 4.120 0.009 0.000 0.284 407 V C -1.011 175.054 176.094 -0.047 0.000 1.018 407 V CA -0.708 61.437 62.300 -0.258 0.000 0.841 407 V CB 1.337 32.695 31.823 -0.774 0.000 0.991 407 V HN 0.728 nan 8.190 nan 0.000 0.437 408 L N 6.844 128.057 121.223 -0.016 0.000 2.319 408 L HA 0.635 4.981 4.340 0.009 0.000 0.281 408 L C -0.813 175.978 176.870 -0.132 0.000 1.005 408 L CA -0.503 54.285 54.840 -0.086 0.000 0.828 408 L CB 1.539 43.573 42.059 -0.042 0.000 1.227 408 L HN 0.615 nan 8.230 nan 0.000 0.415 409 L N 4.667 125.639 121.223 -0.418 0.000 2.282 409 L HA 0.565 4.911 4.340 0.009 0.000 0.287 409 L C -0.223 176.495 176.870 -0.253 0.000 1.075 409 L CA 0.708 55.293 54.840 -0.425 0.000 0.839 409 L CB 0.790 42.252 42.059 -0.995 0.000 1.219 409 L HN 0.721 nan 8.230 nan 0.000 0.434 410 S N 6.658 122.303 115.700 -0.090 0.000 2.293 410 S HA 0.496 4.971 4.470 0.009 0.000 0.154 410 S C -2.043 172.546 174.600 -0.018 0.000 1.602 410 S CA -0.788 57.390 58.200 -0.036 0.000 1.260 410 S CB 0.644 63.852 63.200 0.014 0.000 1.270 410 S HN 0.606 nan 8.310 nan 0.000 0.416 411 P HA 0.217 nan 4.420 nan 0.000 0.235 411 P C 0.708 177.970 177.300 -0.064 0.000 1.177 411 P CA 0.903 63.980 63.100 -0.038 0.000 0.785 411 P CB -0.013 31.687 31.700 0.001 0.000 0.885 412 A N -2.313 120.507 122.820 0.001 0.000 2.899 412 A HA -0.185 4.141 4.320 0.009 0.000 0.257 412 A C 0.361 178.035 177.584 0.150 0.000 1.335 412 A CA 0.939 53.026 52.037 0.082 0.000 0.924 412 A CB -2.588 16.493 19.000 0.135 0.000 1.105 412 A HN 0.390 nan 8.150 nan 0.000 0.765 413 C N -1.671 117.667 119.300 0.063 0.000 3.173 413 C HA 0.801 5.266 4.460 0.009 0.000 0.310 413 C C 0.903 175.925 174.990 0.053 0.000 1.306 413 C CA -0.505 58.557 59.018 0.073 0.000 1.426 413 C CB 1.577 29.330 27.740 0.022 0.000 1.800 413 C HN 1.732 nan 8.230 nan 0.000 0.470 414 A N 1.056 123.919 122.820 0.072 0.000 2.313 414 A HA 0.536 4.861 4.320 0.009 0.000 0.261 414 A C 1.103 178.772 177.584 0.142 0.000 1.090 414 A CA 0.542 52.641 52.037 0.103 0.000 0.807 414 A CB 0.170 19.247 19.000 0.129 0.000 1.055 414 A HN 1.478 nan 8.150 nan 0.000 0.492 415 S N -0.022 115.786 115.700 0.180 0.000 2.517 415 S HA 0.002 4.477 4.470 0.009 0.000 0.214 415 S C 1.419 176.250 174.600 0.385 0.000 0.991 415 S CA 0.641 59.016 58.200 0.292 0.000 0.906 415 S CB -0.792 62.496 63.200 0.147 0.000 0.789 415 S HN 0.988 nan 8.310 nan 0.000 0.513 416 L N 1.612 122.996 121.223 0.268 0.000 2.349 416 L HA -0.025 4.321 4.340 0.009 0.000 0.220 416 L C 1.895 178.872 176.870 0.178 0.000 1.130 416 L CA 1.845 56.824 54.840 0.231 0.000 0.791 416 L CB -1.099 41.077 42.059 0.195 0.000 0.918 416 L HN 0.241 nan 8.230 nan 0.000 0.444 417 D N -0.355 120.148 120.400 0.172 0.000 2.264 417 D HA -0.213 4.432 4.640 0.009 0.000 0.208 417 D C 1.680 178.022 176.300 0.069 0.000 0.966 417 D CA 1.372 55.439 54.000 0.111 0.000 0.864 417 D CB -0.086 40.775 40.800 0.102 0.000 0.933 417 D HN 0.690 nan 8.370 nan 0.000 0.499 418 Q N -1.645 118.197 119.800 0.070 0.000 2.171 418 Q HA 0.209 4.555 4.340 0.009 0.000 0.250 418 Q C -0.453 175.308 176.000 -0.399 0.000 0.791 418 Q CA -0.218 55.478 55.803 -0.179 0.000 0.950 418 Q CB 1.103 29.665 28.738 -0.294 0.000 1.151 418 Q HN 0.094 nan 8.270 nan 0.000 0.480 419 F N 0.679 120.678 119.950 0.082 0.000 2.450 419 F HA 0.351 4.883 4.527 0.008 0.000 0.332 419 F C 1.165 176.997 175.800 0.054 0.000 1.093 419 F CA -0.839 57.199 58.000 0.064 0.000 1.003 419 F CB 1.195 40.241 39.000 0.078 0.000 1.151 419 F HN -0.322 nan 8.300 nan 0.000 0.474 420 K N 1.218 121.718 120.400 0.166 0.000 2.103 420 K HA -0.023 4.303 4.320 0.009 0.000 0.204 420 K C 0.106 176.730 176.600 0.041 0.000 1.052 420 K CA 0.876 57.208 56.287 0.075 0.000 0.945 420 K CB -0.402 32.116 32.500 0.031 0.000 0.722 420 K HN 0.829 nan 8.250 nan 0.000 0.443 421 N N -1.756 116.960 118.700 0.027 0.000 3.157 421 N HA 0.153 4.899 4.740 0.009 0.000 0.291 421 N C 0.098 175.590 175.510 -0.029 0.000 1.515 421 N CA -0.773 52.163 53.050 -0.189 0.000 0.807 421 N CB -0.156 38.109 38.487 -0.370 0.000 1.672 421 N HN -0.169 nan 8.380 nan 0.000 0.592 422 F N -1.467 118.545 119.950 0.103 0.000 2.732 422 F HA 0.490 5.022 4.527 0.009 0.000 0.303 422 F C 0.955 176.808 175.800 0.089 0.000 1.110 422 F CA -0.338 57.718 58.000 0.093 0.000 1.355 422 F CB -0.173 38.881 39.000 0.091 0.000 1.081 422 F HN 0.356 nan 8.300 nan 0.000 0.565 423 E N 0.160 120.449 120.200 0.148 0.000 2.514 423 E HA -0.018 4.338 4.350 0.009 0.000 0.215 423 E C 1.818 178.455 176.600 0.061 0.000 0.946 423 E CA 0.106 56.610 56.400 0.172 0.000 1.038 423 E CB -0.092 29.717 29.700 0.181 0.000 1.069 423 E HN 0.533 nan 8.360 nan 0.000 0.503 424 Q N 1.470 121.293 119.800 0.038 0.000 2.119 424 Q HA -0.108 4.237 4.340 0.009 0.000 0.201 424 Q C 2.249 178.201 176.000 -0.081 0.000 0.972 424 Q CA 1.252 57.093 55.803 0.063 0.000 0.847 424 Q CB 0.141 29.010 28.738 0.218 0.000 0.903 424 Q HN 0.068 nan 8.270 nan 0.000 0.433 425 R N -0.653 119.579 120.500 -0.446 0.000 2.075 425 R HA -0.100 4.245 4.340 0.009 0.000 0.232 425 R C 2.161 178.199 176.300 -0.438 0.000 1.126 425 R CA 1.501 57.052 56.100 -0.915 0.000 0.963 425 R CB -0.505 29.010 30.300 -1.308 0.000 0.858 425 R HN 0.367 nan 8.270 nan 0.000 0.435 426 G N 0.574 109.080 108.800 -0.490 0.000 2.408 426 G HA2 -0.248 3.718 3.960 0.009 0.000 0.217 426 G HA3 -0.248 3.718 3.960 0.009 0.000 0.217 426 G C 1.116 175.759 174.900 -0.428 0.000 1.150 426 G CA 0.593 45.245 45.100 -0.747 0.000 0.776 426 G HN 0.316 nan 8.290 nan 0.000 0.542 427 N N 0.534 119.099 118.700 -0.225 0.000 2.120 427 N HA -0.084 4.662 4.740 0.009 0.000 0.188 427 N C 2.021 177.529 175.510 -0.003 0.000 1.024 427 N CA 1.263 54.312 53.050 -0.001 0.000 0.852 427 N CB -0.347 38.172 38.487 0.055 0.000 1.003 427 N HN 0.618 nan 8.380 nan 0.000 0.424 428 E N -0.177 120.023 120.200 -0.001 0.000 2.072 428 E HA -0.165 4.190 4.350 0.009 0.000 0.191 428 E C 1.811 178.414 176.600 0.005 0.000 0.985 428 E CA 0.601 57.018 56.400 0.028 0.000 0.801 428 E CB -0.191 29.584 29.700 0.126 0.000 0.750 428 E HN 0.275 nan 8.360 nan 0.000 0.452 429 F N 1.326 121.208 119.950 -0.113 0.000 2.095 429 F HA -0.195 4.337 4.527 0.008 0.000 0.298 429 F C 2.101 177.853 175.800 -0.080 0.000 1.104 429 F CA 1.834 59.780 58.000 -0.091 0.000 1.232 429 F CB -0.595 38.345 39.000 -0.101 0.000 0.987 429 F HN 0.110 nan 8.300 nan 0.000 0.475 430 A N 0.664 123.464 122.820 -0.033 0.000 1.883 430 A HA -0.252 4.074 4.320 0.009 0.000 0.217 430 A C 2.404 179.850 177.584 -0.230 0.000 1.186 430 A CA 1.958 53.928 52.037 -0.111 0.000 0.624 430 A CB -0.951 18.069 19.000 0.032 0.000 0.822 430 A HN 0.528 nan 8.150 nan 0.000 0.444 431 R N -0.427 119.973 120.500 -0.167 0.000 2.075 431 R HA -0.009 4.336 4.340 0.009 0.000 0.232 431 R C 1.935 178.086 176.300 -0.248 0.000 1.126 431 R CA 1.473 57.471 56.100 -0.171 0.000 0.963 431 R CB -0.372 29.868 30.300 -0.101 0.000 0.858 431 R HN 0.498 nan 8.270 nan 0.000 0.435 432 L N 0.370 121.427 121.223 -0.278 0.000 2.156 432 L HA -0.033 4.313 4.340 0.009 0.000 0.208 432 L C 2.713 179.277 176.870 -0.510 0.000 1.095 432 L CA 1.044 55.695 54.840 -0.314 0.000 0.770 432 L CB -0.443 41.475 42.059 -0.235 0.000 0.914 432 L HN 0.323 nan 8.230 nan 0.000 0.439 433 A N 0.048 122.422 122.820 -0.743 0.000 1.902 433 A HA -0.232 4.094 4.320 0.009 0.000 0.217 433 A C 2.289 179.256 177.584 -1.029 0.000 1.181 433 A CA 1.742 53.069 52.037 -1.183 0.000 0.623 433 A CB -0.318 18.007 19.000 -1.124 0.000 0.818 433 A HN 0.179 nan 8.150 nan 0.000 0.443 434 K N -0.191 119.828 120.400 -0.635 0.000 2.057 434 K HA -0.132 4.193 4.320 0.009 0.000 0.207 434 K C 2.053 178.409 176.600 -0.406 0.000 1.049 434 K CA 1.593 57.598 56.287 -0.469 0.000 0.931 434 K CB -0.154 32.158 32.500 -0.313 0.000 0.714 434 K HN 0.687 nan 8.250 nan 0.000 0.440 435 E N 0.010 119.995 120.200 -0.359 0.000 2.072 435 E HA -0.160 4.196 4.350 0.009 0.000 0.191 435 E C 1.474 177.908 176.600 -0.277 0.000 0.985 435 E CA 1.098 57.336 56.400 -0.269 0.000 0.801 435 E CB 0.116 29.688 29.700 -0.213 0.000 0.750 435 E HN 0.251 nan 8.360 nan 0.000 0.452 436 L N -0.289 120.704 121.223 -0.384 0.000 2.513 436 L HA 0.271 4.616 4.340 0.009 0.000 0.222 436 L C 1.358 178.060 176.870 -0.281 0.000 1.096 436 L CA 0.043 54.711 54.840 -0.286 0.000 0.857 436 L CB 0.546 42.467 42.059 -0.230 0.000 1.026 436 L HN 0.038 nan 8.230 nan 0.000 0.469 437 G N 0.000 108.455 108.800 -0.575 0.000 5.446 437 G HA2 0.000 3.966 3.960 0.009 0.000 0.244 437 G HA3 0.000 3.966 3.960 0.009 0.000 0.244 437 G CA 0.000 44.885 45.100 -0.358 0.000 0.502 437 G HN 0.000 nan 8.290 nan 0.000 0.925