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 2oa6_1_A DATA FIRST_RESID 13 DATA SEQUENCE SLEPPPSTFQ PLCHPLVEEV SKEVDGYFLQ HWNFPNEKAR KKFVAAGFSR DATA SEQUENCE VTCLYFPKAL DDRIHFACRL LTVLFLIDDL LEYMSFEEGS AYNEKLIPIS DATA SEQUENCE RGDVLPDRSI PVEYIIYDLW ESMRAHDREM ADEILEPVFL FMRAQTDRTR DATA SEQUENCE ARPMGLGGYL EYRERDVGKE LLAALMRFSM GLKLSPSELQ RVREIDANCS DATA SEQUENCE KHLSVVNDIY SYEKELYTXX XXXXXXXXLC TSVQILAQEA DVTAEAAKRV DATA SEQUENCE LFVMCREWEL RHQLLVARLS AEGLETPGLA AYVEGLEYQM SGNELWSQTT DATA SEQUENCE LRYSV 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 13 S HA 0.000 nan 4.470 nan 0.000 0.327 13 S C 0.000 174.612 174.600 0.020 0.000 1.055 13 S CA 0.000 58.213 58.200 0.021 0.000 1.107 13 S CB 0.000 63.209 63.200 0.014 0.000 0.593 14 L N 3.884 125.131 121.223 0.040 0.000 2.342 14 L HA 0.539 4.886 4.340 0.013 0.000 0.285 14 L C -0.470 176.433 176.870 0.056 0.000 1.095 14 L CA 0.370 55.237 54.840 0.045 0.000 0.843 14 L CB 0.234 42.318 42.059 0.041 0.000 1.201 14 L HN 0.259 nan 8.230 nan 0.000 0.445 15 E N 6.750 126.944 120.200 -0.010 0.000 2.115 15 E HA 0.324 4.682 4.350 0.013 0.000 0.282 15 E C -2.195 174.276 176.600 -0.215 0.000 0.987 15 E CA -1.860 54.501 56.400 -0.065 0.000 0.797 15 E CB 0.533 30.196 29.700 -0.063 0.000 1.086 15 E HN 0.514 nan 8.360 nan 0.000 0.397 16 P HA 0.041 nan 4.420 nan 0.000 0.268 16 P C -2.327 174.656 177.300 -0.529 0.000 1.204 16 P CA -0.806 61.827 63.100 -0.779 0.000 0.768 16 P CB -0.006 31.406 31.700 -0.481 0.000 0.842 17 P HA 0.269 nan 4.420 nan 0.000 0.276 17 P C -2.551 174.616 177.300 -0.223 0.000 1.252 17 P CA -1.722 61.194 63.100 -0.306 0.000 0.802 17 P CB -0.605 30.946 31.700 -0.247 0.000 1.035 18 P HA 0.043 nan 4.420 nan 0.000 0.266 18 P C -0.201 177.039 177.300 -0.100 0.000 1.186 18 P CA 0.688 63.728 63.100 -0.101 0.000 0.767 18 P CB 0.230 31.883 31.700 -0.079 0.000 0.820 19 S N 0.296 115.950 115.700 -0.078 0.000 2.546 19 S HA 0.365 4.843 4.470 0.013 0.000 0.272 19 S C 0.745 175.305 174.600 -0.066 0.000 1.140 19 S CA -0.189 57.951 58.200 -0.100 0.000 0.920 19 S CB 0.707 63.868 63.200 -0.065 0.000 1.083 19 S HN 0.483 nan 8.310 nan 0.000 0.476 20 T N 1.510 115.990 114.554 -0.123 0.000 3.160 20 T HA 0.315 4.673 4.350 0.013 0.000 0.257 20 T C 0.446 175.287 174.700 0.235 0.000 1.147 20 T CA 0.096 62.206 62.100 0.018 0.000 1.064 20 T CB -0.655 68.229 68.868 0.027 0.000 0.949 20 T HN 0.506 nan 8.240 nan 0.000 0.526 21 F N 2.007 121.934 119.950 -0.039 0.000 2.403 21 F HA 0.529 5.065 4.527 0.014 0.000 0.326 21 F C 0.464 176.224 175.800 -0.066 0.000 1.081 21 F CA -1.593 56.345 58.000 -0.102 0.000 1.041 21 F CB 1.280 40.198 39.000 -0.137 0.000 1.234 21 F HN 0.154 nan 8.300 nan 0.000 0.503 22 Q N 1.835 121.694 119.800 0.098 0.000 2.345 22 Q HA 0.477 4.824 4.340 0.013 0.000 0.275 22 Q C -3.178 172.884 176.000 0.103 0.000 1.063 22 Q CA -2.279 53.582 55.803 0.097 0.000 0.819 22 Q CB 2.557 31.358 28.738 0.104 0.000 1.356 22 Q HN 0.180 nan 8.270 nan 0.000 0.418 23 P HA 0.245 nan 4.420 nan 0.000 0.274 23 P C -1.268 176.133 177.300 0.168 0.000 1.231 23 P CA -0.360 62.815 63.100 0.126 0.000 0.790 23 P CB 0.999 32.743 31.700 0.073 0.000 0.951 24 L N 2.695 124.020 121.223 0.171 0.000 2.445 24 L HA 0.535 4.883 4.340 0.013 0.000 0.262 24 L C -1.521 175.349 176.870 -0.000 0.000 0.974 24 L CA -0.639 54.232 54.840 0.051 0.000 0.822 24 L CB 1.925 43.917 42.059 -0.112 0.000 1.339 24 L HN 0.516 nan 8.230 nan 0.000 0.409 25 C N 3.217 122.507 119.300 -0.016 0.000 2.456 25 C HA 0.474 4.942 4.460 0.013 0.000 0.325 25 C C -0.082 174.906 174.990 -0.003 0.000 1.217 25 C CA -0.611 58.416 59.018 0.015 0.000 1.687 25 C CB 0.644 28.404 27.740 0.034 0.000 2.270 25 C HN 0.886 nan 8.230 nan 0.000 0.499 26 H N 5.044 124.107 119.070 -0.013 0.000 3.094 26 H HA 0.054 4.618 4.556 0.013 0.000 0.320 26 H C -1.501 173.821 175.328 -0.010 0.000 1.000 26 H CA 0.059 56.101 56.048 -0.010 0.000 1.413 26 H CB 1.123 30.899 29.762 0.024 0.000 1.405 26 H HN 0.524 nan 8.280 nan 0.000 0.586 27 P HA -0.180 nan 4.420 nan 0.000 0.216 27 P C 1.266 178.606 177.300 0.068 0.000 1.157 27 P CA 1.404 64.430 63.100 -0.125 0.000 0.880 27 P CB 0.152 31.719 31.700 -0.222 0.000 0.791 28 L N -1.181 120.218 121.223 0.294 0.000 2.645 28 L HA 0.062 4.410 4.340 0.013 0.000 0.234 28 L C 2.151 179.127 176.870 0.176 0.000 1.165 28 L CA -0.052 54.928 54.840 0.233 0.000 0.944 28 L CB -0.568 41.626 42.059 0.225 0.000 1.149 28 L HN -0.098 nan 8.230 nan 0.000 0.446 29 V N 0.229 120.253 119.914 0.184 0.000 2.324 29 V HA -0.291 3.837 4.120 0.013 0.000 0.250 29 V C 2.473 178.605 176.094 0.063 0.000 1.060 29 V CA 2.040 64.405 62.300 0.108 0.000 1.042 29 V CB 0.045 31.926 31.823 0.096 0.000 0.650 29 V HN 0.513 nan 8.190 nan 0.000 0.450 30 E N -0.011 120.222 120.200 0.054 0.000 2.031 30 E HA -0.220 4.138 4.350 0.013 0.000 0.193 30 E C 2.104 178.726 176.600 0.037 0.000 0.994 30 E CA 1.807 58.229 56.400 0.037 0.000 0.800 30 E CB -0.495 29.222 29.700 0.029 0.000 0.752 30 E HN 0.751 nan 8.360 nan 0.000 0.447 31 E N 0.596 120.820 120.200 0.039 0.000 2.021 31 E HA -0.149 4.209 4.350 0.013 0.000 0.200 31 E C 2.342 178.960 176.600 0.030 0.000 1.015 31 E CA 1.295 57.714 56.400 0.031 0.000 0.824 31 E CB -0.760 28.957 29.700 0.028 0.000 0.762 31 E HN 0.073 nan 8.360 nan 0.000 0.454 32 V N 0.723 120.654 119.914 0.027 0.000 2.332 32 V HA -0.280 3.848 4.120 0.013 0.000 0.248 32 V C 2.391 178.519 176.094 0.057 0.000 1.055 32 V CA 1.956 64.272 62.300 0.026 0.000 1.038 32 V CB -0.857 30.966 31.823 0.001 0.000 0.651 32 V HN 0.263 nan 8.190 nan 0.000 0.450 33 S N -0.553 115.178 115.700 0.053 0.000 2.359 33 S HA -0.290 4.188 4.470 0.013 0.000 0.224 33 S C 2.095 176.743 174.600 0.080 0.000 1.035 33 S CA 2.129 60.364 58.200 0.059 0.000 1.018 33 S CB -0.222 62.996 63.200 0.030 0.000 0.876 33 S HN 0.512 nan 8.310 nan 0.000 0.448 34 K N 1.349 121.789 120.400 0.067 0.000 2.026 34 K HA -0.006 4.322 4.320 0.013 0.000 0.208 34 K C 2.189 178.859 176.600 0.117 0.000 1.048 34 K CA 1.681 58.016 56.287 0.079 0.000 0.929 34 K CB -0.493 32.041 32.500 0.055 0.000 0.713 34 K HN 0.512 nan 8.250 nan 0.000 0.439 35 E N -0.133 120.125 120.200 0.098 0.000 2.033 35 E HA -0.207 4.151 4.350 0.013 0.000 0.199 35 E C 1.729 178.450 176.600 0.201 0.000 1.011 35 E CA 1.955 58.419 56.400 0.108 0.000 0.815 35 E CB 0.043 29.763 29.700 0.034 0.000 0.755 35 E HN 0.070 nan 8.360 nan 0.000 0.451 36 V N 1.372 121.420 119.914 0.223 0.000 2.453 36 V HA -0.194 3.934 4.120 0.013 0.000 0.247 36 V C 1.842 178.273 176.094 0.562 0.000 1.048 36 V CA 1.909 64.433 62.300 0.374 0.000 1.049 36 V CB -0.536 31.476 31.823 0.314 0.000 0.672 36 V HN 0.219 nan 8.190 nan 0.000 0.457 37 D N 0.947 121.592 120.400 0.409 0.000 2.117 37 D HA -0.093 4.555 4.640 0.013 0.000 0.197 37 D C 2.229 178.841 176.300 0.519 0.000 0.987 37 D CA 1.624 55.914 54.000 0.483 0.000 0.829 37 D CB -0.654 40.278 40.800 0.219 0.000 0.961 37 D HN 0.416 nan 8.370 nan 0.000 0.460 38 G N -0.198 108.814 108.800 0.353 0.000 2.480 38 G HA2 -0.345 3.623 3.960 0.013 0.000 0.216 38 G HA3 -0.345 3.623 3.960 0.013 0.000 0.216 38 G C 1.589 176.678 174.900 0.316 0.000 1.200 38 G CA 1.035 46.300 45.100 0.276 0.000 0.782 38 G HN 0.323 nan 8.290 nan 0.000 0.554 39 Y N 0.779 121.221 120.300 0.237 0.000 2.030 39 Y HA -0.285 4.271 4.550 0.009 0.000 0.272 39 Y C 2.525 178.556 175.900 0.219 0.000 1.185 39 Y CA 2.407 60.632 58.100 0.208 0.000 1.120 39 Y CB -0.511 38.031 38.460 0.138 0.000 0.955 39 Y HN 0.172 nan 8.280 nan 0.000 0.495 40 F N -0.371 119.923 119.950 0.573 0.000 2.216 40 F HA -0.218 4.318 4.527 0.016 0.000 0.300 40 F C 2.236 178.285 175.800 0.414 0.000 1.085 40 F CA 1.329 59.605 58.000 0.459 0.000 1.326 40 F CB -0.545 38.678 39.000 0.373 0.000 1.027 40 F HN 0.087 nan 8.300 nan 0.000 0.497 41 L N -0.527 121.004 121.223 0.512 0.000 2.056 41 L HA -0.235 4.113 4.340 0.013 0.000 0.207 41 L C 2.571 179.570 176.870 0.215 0.000 1.078 41 L CA 1.417 56.487 54.840 0.382 0.000 0.749 41 L CB -0.625 41.584 42.059 0.250 0.000 0.901 41 L HN 0.194 nan 8.230 nan 0.000 0.433 42 Q N -1.016 118.807 119.800 0.038 0.000 2.119 42 Q HA -0.195 4.153 4.340 0.013 0.000 0.201 42 Q C 1.950 177.736 176.000 -0.356 0.000 0.972 42 Q CA 1.383 57.054 55.803 -0.220 0.000 0.847 42 Q CB 0.202 28.687 28.738 -0.423 0.000 0.903 42 Q HN 0.597 nan 8.270 nan 0.000 0.433 43 H N -1.965 117.056 119.070 -0.081 0.000 2.481 43 H HA 0.005 4.567 4.556 0.011 0.000 0.291 43 H C 0.319 175.622 175.328 -0.042 0.000 1.009 43 H CA -0.188 55.803 56.048 -0.095 0.000 1.282 43 H CB -0.358 29.216 29.762 -0.314 0.000 1.457 43 H HN 0.310 nan 8.280 nan 0.000 0.525 44 W N 3.190 124.483 121.300 -0.011 0.000 2.209 44 W HA -0.084 4.583 4.660 0.011 0.000 0.344 44 W C 0.098 176.451 176.519 -0.277 0.000 1.285 44 W CA 0.212 57.436 57.345 -0.200 0.000 1.267 44 W CB 0.294 29.522 29.460 -0.387 0.000 1.167 44 W HN 0.086 nan 8.180 nan 0.000 0.574 45 N N 4.593 122.597 118.700 -1.160 0.000 3.229 45 N HA 0.146 4.893 4.740 0.013 0.000 0.275 45 N C -1.156 174.045 175.510 -0.514 0.000 1.225 45 N CA -0.300 52.352 53.050 -0.664 0.000 1.119 45 N CB -0.623 37.508 38.487 -0.593 0.000 1.392 45 N HN 0.117 nan 8.380 nan 0.000 0.520 46 F N 1.674 121.612 119.950 -0.021 0.000 2.495 46 F HA 0.235 4.769 4.527 0.012 0.000 0.365 46 F C -0.443 175.369 175.800 0.019 0.000 1.090 46 F CA -1.575 56.480 58.000 0.092 0.000 1.235 46 F CB 0.654 39.746 39.000 0.154 0.000 1.119 46 F HN 0.383 nan 8.300 nan 0.000 0.562 47 P HA -0.103 nan 4.420 nan 0.000 0.225 47 P C -0.863 176.488 177.300 0.085 0.000 1.148 47 P CA 1.152 64.296 63.100 0.073 0.000 0.779 47 P CB 0.022 31.739 31.700 0.028 0.000 0.780 48 N N -2.821 115.957 118.700 0.131 0.000 3.227 48 N HA 0.058 4.806 4.740 0.013 0.000 0.241 48 N C 0.285 175.849 175.510 0.090 0.000 1.480 48 N CA -0.720 52.383 53.050 0.089 0.000 0.886 48 N CB 0.076 38.600 38.487 0.061 0.000 1.406 48 N HN -0.418 nan 8.380 nan 0.000 0.514 49 E N -0.031 120.201 120.200 0.053 0.000 2.347 49 E HA -0.126 4.232 4.350 0.013 0.000 0.196 49 E C 0.941 177.552 176.600 0.019 0.000 1.008 49 E CA 0.673 57.090 56.400 0.028 0.000 0.852 49 E CB 0.089 29.801 29.700 0.021 0.000 0.783 49 E HN 0.649 nan 8.360 nan 0.000 0.505 50 K N 0.384 120.805 120.400 0.035 0.000 1.984 50 K HA -0.075 4.253 4.320 0.013 0.000 0.209 50 K C 2.076 178.704 176.600 0.047 0.000 1.046 50 K CA 1.209 57.516 56.287 0.034 0.000 0.934 50 K CB -0.189 32.335 32.500 0.040 0.000 0.717 50 K HN 0.012 nan 8.250 nan 0.000 0.438 51 A N 1.702 124.575 122.820 0.088 0.000 1.940 51 A HA -0.184 4.144 4.320 0.013 0.000 0.219 51 A C 2.157 179.789 177.584 0.081 0.000 1.176 51 A CA 1.567 53.697 52.037 0.155 0.000 0.631 51 A CB -0.524 18.634 19.000 0.264 0.000 0.814 51 A HN 0.403 nan 8.150 nan 0.000 0.446 52 R N -0.330 120.123 120.500 -0.078 0.000 2.080 52 R HA -0.136 4.212 4.340 0.013 0.000 0.236 52 R C 2.297 178.524 176.300 -0.121 0.000 1.137 52 R CA 1.861 57.741 56.100 -0.368 0.000 0.943 52 R CB -0.329 29.810 30.300 -0.267 0.000 0.846 52 R HN 0.513 nan 8.270 nan 0.000 0.431 53 K N 0.739 121.109 120.400 -0.051 0.000 2.009 53 K HA -0.234 4.094 4.320 0.013 0.000 0.210 53 K C 2.133 178.713 176.600 -0.033 0.000 1.049 53 K CA 1.728 57.995 56.287 -0.033 0.000 0.929 53 K CB -0.168 32.321 32.500 -0.020 0.000 0.714 53 K HN 0.061 nan 8.250 nan 0.000 0.440 54 K N 0.633 121.034 120.400 0.002 0.000 2.074 54 K HA -0.229 4.099 4.320 0.013 0.000 0.209 54 K C 2.032 178.621 176.600 -0.018 0.000 1.048 54 K CA 1.661 57.950 56.287 0.004 0.000 0.926 54 K CB -0.291 32.247 32.500 0.063 0.000 0.713 54 K HN 0.094 nan 8.250 nan 0.000 0.444 55 F N 1.061 120.957 119.950 -0.090 0.000 2.134 55 F HA -0.181 4.354 4.527 0.012 0.000 0.299 55 F C 1.682 177.397 175.800 -0.142 0.000 1.097 55 F CA 1.413 59.368 58.000 -0.074 0.000 1.264 55 F CB -0.433 38.523 39.000 -0.073 0.000 1.001 55 F HN -0.152 nan 8.300 nan 0.000 0.479 56 V N 0.731 120.446 119.914 -0.331 0.000 2.343 56 V HA -0.282 3.846 4.120 0.013 0.000 0.247 56 V C 2.770 178.654 176.094 -0.351 0.000 1.051 56 V CA 1.865 63.938 62.300 -0.379 0.000 1.036 56 V CB -1.649 30.092 31.823 -0.136 0.000 0.654 56 V HN 0.500 nan 8.190 nan 0.000 0.451 57 A N -0.265 122.402 122.820 -0.256 0.000 2.066 57 A HA 0.081 4.409 4.320 0.013 0.000 0.218 57 A C 2.366 179.776 177.584 -0.290 0.000 1.157 57 A CA 1.499 53.408 52.037 -0.214 0.000 0.670 57 A CB -0.531 18.386 19.000 -0.140 0.000 0.804 57 A HN 0.543 nan 8.150 nan 0.000 0.453 58 A N -0.673 121.886 122.820 -0.435 0.000 1.972 58 A HA 0.301 4.629 4.320 0.013 0.000 0.219 58 A C 1.963 179.178 177.584 -0.616 0.000 1.169 58 A CA 1.369 53.044 52.037 -0.603 0.000 0.635 58 A CB -1.315 17.082 19.000 -1.006 0.000 0.810 58 A HN 1.881 nan 8.150 nan 0.000 0.446 59 G N -1.243 107.194 108.800 -0.605 0.000 2.393 59 G HA2 -0.295 3.673 3.960 0.013 0.000 0.299 59 G HA3 -0.295 3.673 3.960 0.013 0.000 0.299 59 G C 0.370 175.129 174.900 -0.236 0.000 0.990 59 G CA 0.407 45.282 45.100 -0.375 0.000 1.118 59 G HN 0.462 nan 8.290 nan 0.000 0.513 60 F N 0.487 120.350 119.950 -0.144 0.000 2.236 60 F HA -0.167 4.368 4.527 0.012 0.000 0.302 60 F C 2.740 178.512 175.800 -0.046 0.000 1.073 60 F CA 1.560 59.543 58.000 -0.029 0.000 1.336 60 F CB -0.068 38.936 39.000 0.007 0.000 1.040 60 F HN 0.398 nan 8.300 nan 0.000 0.507 61 S N -0.341 115.426 115.700 0.111 0.000 2.414 61 S HA -0.079 4.398 4.470 0.013 0.000 0.227 61 S C 1.884 176.512 174.600 0.047 0.000 1.022 61 S CA 0.615 58.858 58.200 0.071 0.000 0.958 61 S CB -0.168 63.077 63.200 0.074 0.000 0.797 61 S HN 0.353 nan 8.310 nan 0.000 0.493 62 R N 0.719 121.239 120.500 0.033 0.000 2.092 62 R HA 0.002 4.350 4.340 0.013 0.000 0.231 62 R C 2.108 178.453 176.300 0.076 0.000 1.119 62 R CA 1.050 57.175 56.100 0.042 0.000 0.970 62 R CB -0.585 29.725 30.300 0.017 0.000 0.864 62 R HN 0.257 nan 8.270 nan 0.000 0.440 63 V N 0.643 120.614 119.914 0.095 0.000 2.307 63 V HA -0.227 3.901 4.120 0.013 0.000 0.245 63 V C 2.141 178.269 176.094 0.057 0.000 1.045 63 V CA 2.201 64.583 62.300 0.137 0.000 1.024 63 V CB -0.671 31.220 31.823 0.113 0.000 0.651 63 V HN 0.358 nan 8.190 nan 0.000 0.449 64 T N -1.019 113.499 114.554 -0.060 0.000 2.720 64 T HA -0.236 4.122 4.350 0.013 0.000 0.268 64 T C 1.906 176.558 174.700 -0.080 0.000 1.037 64 T CA 1.961 63.945 62.100 -0.193 0.000 1.144 64 T CB -0.545 68.280 68.868 -0.072 0.000 0.864 64 T HN 0.527 nan 8.240 nan 0.000 0.444 65 C N 0.778 120.101 119.300 0.038 0.000 2.432 65 C HA 0.180 4.648 4.460 0.013 0.000 0.280 65 C C 2.599 177.649 174.990 0.101 0.000 1.353 65 C CA -0.019 59.065 59.018 0.109 0.000 1.766 65 C CB -1.344 26.469 27.740 0.122 0.000 1.924 65 C HN 0.533 nan 8.230 nan 0.000 0.509 66 L N -0.897 120.372 121.223 0.076 0.000 2.109 66 L HA -0.108 4.240 4.340 0.013 0.000 0.207 66 L C 2.208 179.060 176.870 -0.029 0.000 1.086 66 L CA 1.749 56.616 54.840 0.046 0.000 0.760 66 L CB -0.316 41.788 42.059 0.076 0.000 0.910 66 L HN 0.333 nan 8.230 nan 0.000 0.437 67 Y N -1.186 118.958 120.300 -0.260 0.000 2.365 67 Y HA -0.031 4.527 4.550 0.013 0.000 0.293 67 Y C 0.838 176.577 175.900 -0.269 0.000 1.119 67 Y CA 0.801 58.651 58.100 -0.418 0.000 1.203 67 Y CB 0.089 38.013 38.460 -0.895 0.000 1.026 67 Y HN 0.028 nan 8.280 nan 0.000 0.549 68 F N 1.187 121.228 119.950 0.152 0.000 2.627 68 F HA 0.318 4.853 4.527 0.013 0.000 0.329 68 F C -1.767 174.096 175.800 0.105 0.000 1.378 68 F CA -1.963 56.091 58.000 0.091 0.000 1.134 68 F CB 0.667 39.701 39.000 0.056 0.000 1.229 68 F HN -0.092 nan 8.300 nan 0.000 0.537 69 P HA -0.157 nan 4.420 nan 0.000 0.226 69 P C 0.836 178.119 177.300 -0.029 0.000 1.153 69 P CA 1.173 64.304 63.100 0.051 0.000 0.777 69 P CB 0.317 31.939 31.700 -0.130 0.000 0.794 70 K N -0.570 119.839 120.400 0.017 0.000 2.358 70 K HA 0.286 4.614 4.320 0.013 0.000 0.197 70 K C 1.064 177.713 176.600 0.081 0.000 1.025 70 K CA -0.273 55.999 56.287 -0.024 0.000 1.104 70 K CB 0.312 32.780 32.500 -0.052 0.000 0.855 70 K HN 0.055 nan 8.250 nan 0.000 0.531 71 A N 1.364 124.311 122.820 0.212 0.000 2.466 71 A HA 0.188 4.516 4.320 0.013 0.000 0.238 71 A C 0.347 178.046 177.584 0.192 0.000 1.074 71 A CA -0.263 51.859 52.037 0.141 0.000 0.774 71 A CB 0.039 19.097 19.000 0.097 0.000 1.015 71 A HN 0.274 nan 8.150 nan 0.000 0.498 72 L N 1.147 122.409 121.223 0.065 0.000 2.483 72 L HA 0.032 4.380 4.340 0.013 0.000 0.276 72 L C 0.911 177.848 176.870 0.112 0.000 1.213 72 L CA -0.369 54.514 54.840 0.072 0.000 0.843 72 L CB 0.271 42.330 42.059 0.000 0.000 1.107 72 L HN 0.761 nan 8.230 nan 0.000 0.487 73 D N 0.869 121.357 120.400 0.147 0.000 2.182 73 D HA -0.170 4.477 4.640 0.013 0.000 0.201 73 D C 1.120 177.449 176.300 0.048 0.000 0.986 73 D CA 1.429 55.514 54.000 0.142 0.000 0.847 73 D CB -0.030 40.849 40.800 0.132 0.000 0.942 73 D HN 0.660 nan 8.370 nan 0.000 0.467 74 D N -0.600 119.832 120.400 0.054 0.000 2.368 74 D HA 0.014 4.662 4.640 0.013 0.000 0.218 74 D C 1.315 177.612 176.300 -0.005 0.000 1.112 74 D CA -0.087 53.956 54.000 0.071 0.000 0.834 74 D CB 0.162 41.056 40.800 0.158 0.000 0.953 74 D HN 0.113 nan 8.370 nan 0.000 0.505 75 R N -0.580 119.875 120.500 -0.076 0.000 2.435 75 R HA 0.178 4.526 4.340 0.013 0.000 0.221 75 R C 1.794 178.016 176.300 -0.130 0.000 0.885 75 R CA -0.271 55.763 56.100 -0.111 0.000 1.018 75 R CB 0.057 30.242 30.300 -0.192 0.000 1.259 75 R HN 0.013 nan 8.270 nan 0.000 0.597 76 I N 2.617 123.093 120.570 -0.156 0.000 2.248 76 I HA -0.321 3.857 4.170 0.013 0.000 0.248 76 I C 2.408 178.431 176.117 -0.157 0.000 1.107 76 I CA 1.853 63.036 61.300 -0.194 0.000 1.373 76 I CB -0.392 37.307 38.000 -0.501 0.000 1.055 76 I HN 0.271 nan 8.210 nan 0.000 0.418 77 H N -0.551 118.378 119.070 -0.234 0.000 2.457 77 H HA -0.175 4.389 4.556 0.014 0.000 0.294 77 H C 2.042 177.258 175.328 -0.186 0.000 1.064 77 H CA 1.703 57.611 56.048 -0.233 0.000 1.330 77 H CB -1.209 28.361 29.762 -0.320 0.000 1.395 77 H HN 0.444 nan 8.280 nan 0.000 0.541 78 F N 1.689 121.160 119.950 -0.799 0.000 2.186 78 F HA -0.054 4.479 4.527 0.009 0.000 0.299 78 F C 3.127 178.724 175.800 -0.339 0.000 1.090 78 F CA 0.840 58.489 58.000 -0.585 0.000 1.307 78 F CB -0.177 38.543 39.000 -0.466 0.000 1.019 78 F HN 0.324 nan 8.300 nan 0.000 0.489 79 A N -0.564 122.233 122.820 -0.037 0.000 1.877 79 A HA -0.199 4.129 4.320 0.013 0.000 0.216 79 A C 2.185 179.773 177.584 0.006 0.000 1.186 79 A CA 1.771 53.796 52.037 -0.020 0.000 0.620 79 A CB -1.458 17.585 19.000 0.072 0.000 0.822 79 A HN 0.501 nan 8.150 nan 0.000 0.443 80 C N -0.657 118.654 119.300 0.017 0.000 2.440 80 C HA -0.052 4.416 4.460 0.013 0.000 0.278 80 C C 2.809 177.811 174.990 0.020 0.000 1.295 80 C CA 0.921 59.953 59.018 0.023 0.000 1.738 80 C CB -1.392 26.381 27.740 0.056 0.000 1.987 80 C HN 0.606 nan 8.230 nan 0.000 0.492 81 R N 0.596 121.129 120.500 0.055 0.000 2.075 81 R HA -0.023 4.325 4.340 0.013 0.000 0.232 81 R C 2.281 178.613 176.300 0.054 0.000 1.126 81 R CA 0.900 57.102 56.100 0.169 0.000 0.963 81 R CB -0.518 29.860 30.300 0.130 0.000 0.858 81 R HN 0.475 nan 8.270 nan 0.000 0.435 82 L N 1.049 122.220 121.223 -0.086 0.000 2.027 82 L HA -0.141 4.207 4.340 0.013 0.000 0.206 82 L C 2.210 178.971 176.870 -0.183 0.000 1.074 82 L CA 1.519 56.261 54.840 -0.162 0.000 0.745 82 L CB -0.195 41.687 42.059 -0.295 0.000 0.898 82 L HN 0.256 nan 8.230 nan 0.000 0.433 83 L N -1.048 120.036 121.223 -0.232 0.000 2.141 83 L HA -0.193 4.155 4.340 0.013 0.000 0.209 83 L C 2.469 179.096 176.870 -0.404 0.000 1.094 83 L CA 1.275 55.888 54.840 -0.379 0.000 0.763 83 L CB -0.809 40.996 42.059 -0.424 0.000 0.908 83 L HN 0.279 nan 8.230 nan 0.000 0.437 84 T N -0.600 113.750 114.554 -0.340 0.000 2.708 84 T HA -0.193 4.165 4.350 0.013 0.000 0.266 84 T C 1.902 176.191 174.700 -0.685 0.000 1.037 84 T CA 1.542 63.315 62.100 -0.546 0.000 1.146 84 T CB -0.191 68.320 68.868 -0.595 0.000 0.865 84 T HN 0.153 nan 8.240 nan 0.000 0.435 85 V N 1.032 120.677 119.914 -0.449 0.000 2.453 85 V HA -0.015 4.113 4.120 0.013 0.000 0.247 85 V C 2.238 178.240 176.094 -0.154 0.000 1.048 85 V CA 1.329 63.473 62.300 -0.259 0.000 1.049 85 V CB -0.481 31.450 31.823 0.179 0.000 0.672 85 V HN 0.461 nan 8.190 nan 0.000 0.457 86 L N -1.151 120.007 121.223 -0.108 0.000 2.017 86 L HA -0.165 4.183 4.340 0.013 0.000 0.208 86 L C 2.435 179.324 176.870 0.033 0.000 1.073 86 L CA 2.216 57.065 54.840 0.016 0.000 0.745 86 L CB -0.623 41.420 42.059 -0.026 0.000 0.894 86 L HN 0.311 nan 8.230 nan 0.000 0.432 87 F N -0.101 119.652 119.950 -0.328 0.000 2.134 87 F HA -0.268 4.266 4.527 0.013 0.000 0.299 87 F C 2.456 178.009 175.800 -0.412 0.000 1.097 87 F CA 0.682 58.423 58.000 -0.432 0.000 1.264 87 F CB 0.039 38.496 39.000 -0.904 0.000 1.001 87 F HN 0.026 nan 8.300 nan 0.000 0.479 88 L N 0.003 120.989 121.223 -0.395 0.000 2.042 88 L HA -0.287 4.061 4.340 0.013 0.000 0.210 88 L C 2.239 179.060 176.870 -0.081 0.000 1.076 88 L CA 1.264 55.874 54.840 -0.385 0.000 0.749 88 L CB -0.499 40.935 42.059 -1.041 0.000 0.893 88 L HN 0.178 nan 8.230 nan 0.000 0.432 89 I N -0.481 120.089 120.570 -0.001 0.000 2.252 89 I HA -0.299 3.879 4.170 0.013 0.000 0.245 89 I C 2.102 178.287 176.117 0.114 0.000 1.102 89 I CA 1.409 62.800 61.300 0.153 0.000 1.385 89 I CB -0.331 37.821 38.000 0.253 0.000 1.064 89 I HN 0.301 nan 8.210 nan 0.000 0.414 90 D N 1.322 121.810 120.400 0.146 0.000 2.108 90 D HA -0.259 4.388 4.640 0.013 0.000 0.190 90 D C 1.650 178.025 176.300 0.125 0.000 0.995 90 D CA 1.944 56.042 54.000 0.162 0.000 0.834 90 D CB 0.043 41.023 40.800 0.301 0.000 0.967 90 D HN 0.186 nan 8.370 nan 0.000 0.446 91 D N -0.169 120.309 120.400 0.129 0.000 2.172 91 D HA -0.165 4.483 4.640 0.013 0.000 0.196 91 D C 2.025 178.464 176.300 0.230 0.000 0.999 91 D CA 0.419 54.517 54.000 0.162 0.000 0.856 91 D CB -0.294 40.622 40.800 0.193 0.000 0.934 91 D HN 0.265 nan 8.370 nan 0.000 0.453 92 L N 0.089 121.426 121.223 0.191 0.000 2.056 92 L HA -0.116 4.232 4.340 0.013 0.000 0.207 92 L C 2.105 179.028 176.870 0.088 0.000 1.078 92 L CA 0.885 55.832 54.840 0.179 0.000 0.749 92 L CB -0.158 41.961 42.059 0.099 0.000 0.901 92 L HN 0.108 nan 8.230 nan 0.000 0.433 93 L N -0.394 120.823 121.223 -0.009 0.000 2.265 93 L HA -0.244 4.104 4.340 0.013 0.000 0.215 93 L C 2.316 179.156 176.870 -0.050 0.000 1.117 93 L CA 0.852 55.657 54.840 -0.059 0.000 0.782 93 L CB -0.424 41.621 42.059 -0.022 0.000 0.914 93 L HN 0.345 nan 8.230 nan 0.000 0.441 94 E N 0.194 120.363 120.200 -0.052 0.000 2.058 94 E HA -0.234 4.124 4.350 0.013 0.000 0.194 94 E C 1.198 177.609 176.600 -0.315 0.000 0.997 94 E CA 1.584 57.853 56.400 -0.218 0.000 0.801 94 E CB -0.064 29.416 29.700 -0.366 0.000 0.746 94 E HN 0.514 nan 8.360 nan 0.000 0.450 95 Y N -0.345 119.919 120.300 -0.059 0.000 2.471 95 Y HA 0.225 4.782 4.550 0.013 0.000 0.321 95 Y C 0.109 175.948 175.900 -0.101 0.000 1.195 95 Y CA 0.033 58.092 58.100 -0.069 0.000 1.272 95 Y CB -0.119 38.319 38.460 -0.037 0.000 1.097 95 Y HN -0.050 nan 8.280 nan 0.000 0.507 96 M N -0.499 119.071 119.600 -0.050 0.000 2.530 96 M HA 0.341 4.829 4.480 0.013 0.000 0.307 96 M C 0.079 176.255 176.300 -0.207 0.000 1.161 96 M CA -0.952 54.293 55.300 -0.091 0.000 0.903 96 M CB 2.178 34.721 32.600 -0.095 0.000 1.711 96 M HN 0.079 nan 8.290 nan 0.000 0.451 97 S N 0.431 116.023 115.700 -0.179 0.000 2.600 97 S HA 0.287 4.765 4.470 0.013 0.000 0.265 97 S C 0.558 175.022 174.600 -0.226 0.000 1.325 97 S CA -0.332 57.706 58.200 -0.272 0.000 1.002 97 S CB 0.416 63.542 63.200 -0.123 0.000 0.921 97 S HN 0.533 nan 8.310 nan 0.000 0.554 98 F N 0.970 120.923 119.950 0.005 0.000 2.186 98 F HA 0.076 4.611 4.527 0.013 0.000 0.299 98 F C 2.359 178.167 175.800 0.014 0.000 1.090 98 F CA 1.168 59.172 58.000 0.006 0.000 1.307 98 F CB -1.079 37.924 39.000 0.005 0.000 1.019 98 F HN 0.541 nan 8.300 nan 0.000 0.489 99 E N -0.020 120.282 120.200 0.170 0.000 2.107 99 E HA -0.153 4.205 4.350 0.013 0.000 0.191 99 E C 2.090 178.742 176.600 0.088 0.000 0.982 99 E CA 1.015 57.482 56.400 0.111 0.000 0.809 99 E CB -0.389 29.358 29.700 0.078 0.000 0.756 99 E HN 0.420 nan 8.360 nan 0.000 0.459 100 E N 0.020 120.260 120.200 0.066 0.000 2.028 100 E HA -0.115 4.243 4.350 0.013 0.000 0.191 100 E C 2.168 178.831 176.600 0.106 0.000 0.988 100 E CA 1.063 57.504 56.400 0.068 0.000 0.799 100 E CB -0.280 29.438 29.700 0.029 0.000 0.755 100 E HN 0.325 nan 8.360 nan 0.000 0.447 101 G N 0.372 109.218 108.800 0.078 0.000 2.440 101 G HA2 -0.325 3.643 3.960 0.013 0.000 0.218 101 G HA3 -0.325 3.643 3.960 0.013 0.000 0.218 101 G C 1.654 176.650 174.900 0.160 0.000 1.154 101 G CA 1.118 46.273 45.100 0.091 0.000 0.767 101 G HN 0.337 nan 8.290 nan 0.000 0.552 102 S N 0.805 116.587 115.700 0.138 0.000 2.356 102 S HA 0.043 4.521 4.470 0.013 0.000 0.223 102 S C 2.701 177.360 174.600 0.099 0.000 1.032 102 S CA 1.690 59.956 58.200 0.109 0.000 1.005 102 S CB -0.476 62.775 63.200 0.086 0.000 0.867 102 S HN 0.563 nan 8.310 nan 0.000 0.449 103 A N -0.358 122.522 122.820 0.099 0.000 2.015 103 A HA 0.025 4.353 4.320 0.013 0.000 0.219 103 A C 1.937 179.577 177.584 0.093 0.000 1.163 103 A CA 1.332 53.412 52.037 0.070 0.000 0.646 103 A CB -0.964 18.071 19.000 0.058 0.000 0.806 103 A HN 0.782 nan 8.150 nan 0.000 0.448 104 Y N 1.009 121.321 120.300 0.020 0.000 2.109 104 Y HA -0.216 4.342 4.550 0.013 0.000 0.285 104 Y C 2.232 178.148 175.900 0.027 0.000 1.131 104 Y CA 2.192 60.308 58.100 0.027 0.000 1.121 104 Y CB -0.178 38.308 38.460 0.044 0.000 0.987 104 Y HN 0.303 nan 8.280 nan 0.000 0.495 105 N N 0.424 119.312 118.700 0.313 0.000 2.309 105 N HA -0.148 4.600 4.740 0.013 0.000 0.182 105 N C 1.620 177.140 175.510 0.017 0.000 1.018 105 N CA 1.307 54.467 53.050 0.183 0.000 0.876 105 N CB -0.292 38.309 38.487 0.190 0.000 0.972 105 N HN 0.423 nan 8.380 nan 0.000 0.434 106 E N 0.934 121.134 120.200 -0.000 0.000 2.208 106 E HA -0.065 4.293 4.350 0.013 0.000 0.193 106 E C 1.680 178.213 176.600 -0.113 0.000 0.988 106 E CA 0.897 57.254 56.400 -0.072 0.000 0.828 106 E CB 0.029 29.704 29.700 -0.042 0.000 0.763 106 E HN 0.257 nan 8.360 nan 0.000 0.478 107 K N -0.346 119.992 120.400 -0.104 0.000 2.228 107 K HA 0.018 4.346 4.320 0.013 0.000 0.202 107 K C 1.603 178.123 176.600 -0.134 0.000 1.051 107 K CA 0.582 56.796 56.287 -0.122 0.000 0.960 107 K CB 0.042 32.463 32.500 -0.133 0.000 0.743 107 K HN 0.174 nan 8.250 nan 0.000 0.458 108 L N 0.658 121.799 121.223 -0.137 0.000 2.478 108 L HA -0.029 4.319 4.340 0.013 0.000 0.223 108 L C 1.910 178.703 176.870 -0.129 0.000 1.140 108 L CA 0.317 55.105 54.840 -0.088 0.000 0.842 108 L CB -0.152 41.892 42.059 -0.025 0.000 0.953 108 L HN 0.184 nan 8.230 nan 0.000 0.452 109 I N 0.317 120.712 120.570 -0.291 0.000 2.193 109 I HA -0.141 4.036 4.170 0.013 0.000 0.240 109 I C -0.310 175.539 176.117 -0.446 0.000 1.084 109 I CA 1.215 62.119 61.300 -0.659 0.000 1.365 109 I CB -1.056 36.394 38.000 -0.916 0.000 1.064 109 I HN 0.154 nan 8.210 nan 0.000 0.410 110 P HA -0.114 nan 4.420 nan 0.000 0.218 110 P C 1.817 179.085 177.300 -0.053 0.000 1.149 110 P CA 1.445 64.458 63.100 -0.145 0.000 0.817 110 P CB 0.023 31.660 31.700 -0.105 0.000 0.785 111 I N -1.125 119.431 120.570 -0.024 0.000 2.286 111 I HA -0.224 3.954 4.170 0.013 0.000 0.248 111 I C 2.052 178.251 176.117 0.137 0.000 1.115 111 I CA 1.439 62.809 61.300 0.116 0.000 1.392 111 I CB -0.590 37.475 38.000 0.108 0.000 1.065 111 I HN -0.058 nan 8.210 nan 0.000 0.418 112 S N 0.385 116.072 115.700 -0.021 0.000 2.383 112 S HA -0.104 4.374 4.470 0.013 0.000 0.227 112 S C 1.993 176.380 174.600 -0.354 0.000 1.026 112 S CA 1.027 59.069 58.200 -0.264 0.000 0.981 112 S CB -0.229 62.721 63.200 -0.417 0.000 0.818 112 S HN 0.384 nan 8.310 nan 0.000 0.472 113 R N 0.267 120.678 120.500 -0.148 0.000 2.235 113 R HA 0.043 4.390 4.340 0.013 0.000 0.213 113 R C 1.734 178.002 176.300 -0.053 0.000 1.059 113 R CA 0.672 56.710 56.100 -0.103 0.000 0.997 113 R CB -0.242 30.040 30.300 -0.031 0.000 0.884 113 R HN 0.520 nan 8.270 nan 0.000 0.462 114 G N 0.811 109.617 108.800 0.011 0.000 2.176 114 G HA2 -0.238 3.730 3.960 0.013 0.000 0.253 114 G HA3 -0.238 3.730 3.960 0.013 0.000 0.253 114 G C 0.370 175.367 174.900 0.161 0.000 0.979 114 G CA 0.424 45.575 45.100 0.086 0.000 0.641 114 G HN 0.313 nan 8.290 nan 0.000 0.530 115 D N -0.350 120.102 120.400 0.087 0.000 2.317 115 D HA 0.195 4.843 4.640 0.013 0.000 0.211 115 D C 0.881 177.217 176.300 0.059 0.000 0.966 115 D CA 0.976 55.011 54.000 0.057 0.000 0.876 115 D CB 0.727 41.534 40.800 0.011 0.000 0.927 115 D HN 0.359 nan 8.370 nan 0.000 0.519 116 V N 1.566 121.531 119.914 0.085 0.000 2.686 116 V HA 0.230 4.358 4.120 0.013 0.000 0.306 116 V C 0.060 176.152 176.094 -0.004 0.000 1.065 116 V CA -0.845 61.472 62.300 0.029 0.000 0.894 116 V CB 2.658 34.476 31.823 -0.008 0.000 1.004 116 V HN -0.089 nan 8.190 nan 0.000 0.424 117 L N 6.994 128.146 121.223 -0.119 0.000 2.467 117 L HA 0.370 4.718 4.340 0.013 0.000 0.270 117 L C -1.893 174.805 176.870 -0.287 0.000 1.205 117 L CA -1.148 53.482 54.840 -0.351 0.000 0.828 117 L CB 0.766 42.672 42.059 -0.255 0.000 1.101 117 L HN 0.449 nan 8.230 nan 0.000 0.479 118 P HA 0.107 nan 4.420 nan 0.000 0.287 118 P C -1.396 175.845 177.300 -0.097 0.000 1.270 118 P CA -0.567 62.441 63.100 -0.154 0.000 0.844 118 P CB 1.310 32.971 31.700 -0.065 0.000 1.068 119 D N 2.322 122.700 120.400 -0.038 0.000 2.352 119 D HA 0.027 4.675 4.640 0.013 0.000 0.245 119 D C 1.077 177.404 176.300 0.044 0.000 1.224 119 D CA -0.259 53.729 54.000 -0.021 0.000 0.879 119 D CB 0.504 41.291 40.800 -0.022 0.000 1.057 119 D HN 0.077 nan 8.370 nan 0.000 0.491 120 R N 2.369 122.877 120.500 0.014 0.000 2.397 120 R HA -0.068 4.280 4.340 0.013 0.000 0.213 120 R C 1.364 177.727 176.300 0.105 0.000 1.102 120 R CA 0.406 56.519 56.100 0.022 0.000 1.040 120 R CB -0.793 29.410 30.300 -0.161 0.000 0.844 120 R HN 0.446 nan 8.270 nan 0.000 0.478 121 S N -0.686 115.072 115.700 0.096 0.000 2.511 121 S HA 0.187 4.664 4.470 0.013 0.000 0.214 121 S C 0.930 175.581 174.600 0.085 0.000 0.997 121 S CA -0.317 57.934 58.200 0.084 0.000 0.908 121 S CB 0.213 63.425 63.200 0.020 0.000 0.803 121 S HN 0.121 nan 8.310 nan 0.000 0.504 122 I N 2.883 123.498 120.570 0.075 0.000 2.337 122 I HA 0.330 4.508 4.170 0.013 0.000 0.285 122 I C -2.036 174.012 176.117 -0.115 0.000 1.041 122 I CA -2.507 58.772 61.300 -0.036 0.000 1.199 122 I CB 1.860 39.826 38.000 -0.057 0.000 1.370 122 I HN -0.037 nan 8.210 nan 0.000 0.470 123 P HA -0.230 nan 4.420 nan 0.000 0.216 123 P C 1.848 178.818 177.300 -0.550 0.000 1.157 123 P CA 1.016 63.662 63.100 -0.756 0.000 0.880 123 P CB 0.346 31.707 31.700 -0.564 0.000 0.791 124 V N 0.180 119.922 119.914 -0.286 0.000 2.324 124 V HA -0.310 3.818 4.120 0.013 0.000 0.250 124 V C 2.099 178.195 176.094 0.004 0.000 1.060 124 V CA 2.085 64.400 62.300 0.025 0.000 1.042 124 V CB -0.916 30.987 31.823 0.134 0.000 0.650 124 V HN 0.133 nan 8.190 nan 0.000 0.450 125 E N -0.593 119.568 120.200 -0.065 0.000 2.031 125 E HA -0.253 4.104 4.350 0.013 0.000 0.193 125 E C 2.130 178.809 176.600 0.132 0.000 0.994 125 E CA 1.999 58.409 56.400 0.017 0.000 0.800 125 E CB -0.421 29.273 29.700 -0.010 0.000 0.752 125 E HN 0.995 nan 8.360 nan 0.000 0.447 126 Y N -0.144 120.199 120.300 0.072 0.000 2.395 126 Y HA 0.063 4.622 4.550 0.015 0.000 0.293 126 Y C 1.844 177.843 175.900 0.165 0.000 1.123 126 Y CA 0.392 58.554 58.100 0.104 0.000 1.227 126 Y CB -0.532 37.940 38.460 0.021 0.000 1.012 126 Y HN -0.079 nan 8.280 nan 0.000 0.552 127 I N 0.250 120.817 120.570 -0.005 0.000 2.202 127 I HA -0.237 3.941 4.170 0.013 0.000 0.242 127 I C 2.260 178.511 176.117 0.224 0.000 1.091 127 I CA 0.874 62.247 61.300 0.121 0.000 1.368 127 I CB -0.325 37.715 38.000 0.067 0.000 1.058 127 I HN 0.205 nan 8.210 nan 0.000 0.410 128 I N 0.160 120.881 120.570 0.252 0.000 2.142 128 I HA -0.333 3.844 4.170 0.013 0.000 0.240 128 I C 2.607 178.969 176.117 0.409 0.000 1.078 128 I CA 1.933 63.438 61.300 0.342 0.000 1.343 128 I CB -1.199 36.995 38.000 0.323 0.000 1.046 128 I HN 0.256 nan 8.210 nan 0.000 0.405 129 Y N 2.262 122.704 120.300 0.237 0.000 2.097 129 Y HA -0.307 4.249 4.550 0.011 0.000 0.282 129 Y C 2.391 178.423 175.900 0.221 0.000 1.152 129 Y CA 2.086 60.317 58.100 0.218 0.000 1.136 129 Y CB -0.288 38.268 38.460 0.160 0.000 0.975 129 Y HN 0.229 nan 8.280 nan 0.000 0.498 130 D N -0.094 120.501 120.400 0.326 0.000 2.117 130 D HA -0.169 4.479 4.640 0.013 0.000 0.197 130 D C 2.174 178.527 176.300 0.089 0.000 0.987 130 D CA 1.276 55.395 54.000 0.197 0.000 0.829 130 D CB -0.595 40.366 40.800 0.268 0.000 0.961 130 D HN 0.378 nan 8.370 nan 0.000 0.460 131 L N -0.364 120.906 121.223 0.080 0.000 1.989 131 L HA -0.132 4.215 4.340 0.013 0.000 0.211 131 L C 2.023 178.792 176.870 -0.169 0.000 1.071 131 L CA 1.734 56.541 54.840 -0.054 0.000 0.749 131 L CB -0.958 41.033 42.059 -0.112 0.000 0.890 131 L HN 0.099 nan 8.230 nan 0.000 0.431 132 W N 0.117 121.359 121.300 -0.097 0.000 2.358 132 W HA -0.132 4.536 4.660 0.012 0.000 0.303 132 W C 2.591 178.990 176.519 -0.201 0.000 1.208 132 W CA 1.153 58.395 57.345 -0.173 0.000 1.274 132 W CB -0.145 29.229 29.460 -0.142 0.000 1.138 132 W HN 0.146 nan 8.180 nan 0.000 0.515 133 E N 0.030 120.213 120.200 -0.028 0.000 2.085 133 E HA -0.214 4.144 4.350 0.013 0.000 0.194 133 E C 2.254 178.844 176.600 -0.016 0.000 0.994 133 E CA 1.908 58.252 56.400 -0.093 0.000 0.801 133 E CB -0.933 28.639 29.700 -0.212 0.000 0.743 133 E HN 0.348 nan 8.360 nan 0.000 0.453 134 S N 0.326 116.036 115.700 0.017 0.000 2.383 134 S HA -0.116 4.362 4.470 0.013 0.000 0.227 134 S C 2.137 176.722 174.600 -0.025 0.000 1.026 134 S CA 0.954 59.225 58.200 0.118 0.000 0.981 134 S CB -0.259 63.112 63.200 0.286 0.000 0.818 134 S HN 0.143 nan 8.310 nan 0.000 0.472 135 M N 0.883 120.290 119.600 -0.321 0.000 2.132 135 M HA 0.025 4.513 4.480 0.013 0.000 0.263 135 M C 2.739 178.910 176.300 -0.216 0.000 1.065 135 M CA 1.381 56.283 55.300 -0.663 0.000 1.122 135 M CB -0.344 31.740 32.600 -0.860 0.000 1.365 135 M HN 0.293 nan 8.290 nan 0.000 0.411 136 R N 0.170 120.627 120.500 -0.072 0.000 2.120 136 R HA -0.055 4.293 4.340 0.013 0.000 0.234 136 R C 2.277 178.596 176.300 0.031 0.000 1.123 136 R CA 1.350 57.458 56.100 0.014 0.000 0.975 136 R CB -0.435 29.883 30.300 0.030 0.000 0.866 136 R HN 0.363 nan 8.270 nan 0.000 0.446 137 A N 0.401 123.244 122.820 0.039 0.000 2.015 137 A HA -0.187 4.141 4.320 0.013 0.000 0.219 137 A C 1.918 179.555 177.584 0.090 0.000 1.163 137 A CA 1.242 53.318 52.037 0.065 0.000 0.646 137 A CB -0.532 18.521 19.000 0.087 0.000 0.806 137 A HN 0.325 nan 8.150 nan 0.000 0.448 138 H N -1.126 117.955 119.070 0.018 0.000 2.355 138 H HA 0.029 4.593 4.556 0.013 0.000 0.303 138 H C -0.596 174.723 175.328 -0.016 0.000 1.061 138 H CA 1.533 57.608 56.048 0.045 0.000 1.368 138 H CB 0.385 30.212 29.762 0.107 0.000 1.412 138 H HN 0.372 nan 8.280 nan 0.000 0.523 139 D N -0.199 120.301 120.400 0.168 0.000 2.411 139 D HA 0.085 4.732 4.640 0.013 0.000 0.239 139 D C 1.023 177.376 176.300 0.089 0.000 1.307 139 D CA -0.302 53.753 54.000 0.091 0.000 0.930 139 D CB 0.861 41.684 40.800 0.039 0.000 1.395 139 D HN 0.085 nan 8.370 nan 0.000 0.536 140 R N 2.605 123.136 120.500 0.052 0.000 2.094 140 R HA -0.185 4.163 4.340 0.013 0.000 0.239 140 R C 1.715 178.044 176.300 0.047 0.000 1.137 140 R CA 2.540 58.666 56.100 0.045 0.000 0.943 140 R CB -0.301 30.013 30.300 0.023 0.000 0.850 140 R HN 0.547 nan 8.270 nan 0.000 0.433 141 E N -0.389 119.830 120.200 0.032 0.000 2.058 141 E HA -0.244 4.114 4.350 0.013 0.000 0.194 141 E C 1.902 178.530 176.600 0.046 0.000 0.997 141 E CA 1.922 58.337 56.400 0.024 0.000 0.801 141 E CB -0.134 29.570 29.700 0.006 0.000 0.746 141 E HN 0.458 nan 8.360 nan 0.000 0.450 142 M N 0.005 119.651 119.600 0.077 0.000 2.254 142 M HA -0.044 4.444 4.480 0.013 0.000 0.265 142 M C 2.429 178.893 176.300 0.273 0.000 1.066 142 M CA 1.075 56.467 55.300 0.153 0.000 1.123 142 M CB -0.095 32.554 32.600 0.081 0.000 1.388 142 M HN 0.238 nan 8.290 nan 0.000 0.425 143 A N 0.582 123.550 122.820 0.248 0.000 1.898 143 A HA -0.160 4.168 4.320 0.013 0.000 0.216 143 A C 1.681 179.321 177.584 0.094 0.000 1.181 143 A CA 1.754 53.843 52.037 0.087 0.000 0.620 143 A CB -0.601 18.436 19.000 0.061 0.000 0.819 143 A HN 0.333 nan 8.150 nan 0.000 0.442 144 D N -0.558 119.877 120.400 0.058 0.000 2.178 144 D HA -0.130 4.518 4.640 0.013 0.000 0.201 144 D C 1.812 178.087 176.300 -0.042 0.000 0.980 144 D CA 1.498 55.494 54.000 -0.008 0.000 0.842 144 D CB -0.253 40.541 40.800 -0.011 0.000 0.948 144 D HN 0.530 nan 8.370 nan 0.000 0.472 145 E N 0.488 120.683 120.200 -0.008 0.000 2.265 145 E HA -0.097 4.260 4.350 0.013 0.000 0.196 145 E C 1.858 178.423 176.600 -0.058 0.000 0.996 145 E CA 0.518 56.901 56.400 -0.027 0.000 0.832 145 E CB -0.176 29.525 29.700 0.001 0.000 0.756 145 E HN 0.544 nan 8.360 nan 0.000 0.491 146 I N -2.882 117.654 120.570 -0.057 0.000 3.875 146 I HA 0.140 4.317 4.170 0.013 0.000 0.329 146 I C 1.349 177.385 176.117 -0.134 0.000 1.295 146 I CA -0.137 61.110 61.300 -0.088 0.000 1.129 146 I CB 0.006 37.917 38.000 -0.148 0.000 1.008 146 I HN -0.043 nan 8.210 nan 0.000 0.413 147 L N 0.978 122.024 121.223 -0.295 0.000 1.976 147 L HA -0.124 4.224 4.340 0.013 0.000 0.209 147 L C 2.770 179.025 176.870 -1.025 0.000 1.071 147 L CA 1.527 55.849 54.840 -0.863 0.000 0.746 147 L CB -0.553 41.053 42.059 -0.756 0.000 0.890 147 L HN 0.262 nan 8.230 nan 0.000 0.432 148 E N -0.397 119.508 120.200 -0.493 0.000 2.110 148 E HA -0.171 4.187 4.350 0.013 0.000 0.193 148 E C -0.172 176.343 176.600 -0.141 0.000 0.988 148 E CA 1.277 57.534 56.400 -0.238 0.000 0.804 148 E CB -1.467 28.185 29.700 -0.081 0.000 0.745 148 E HN 0.441 nan 8.360 nan 0.000 0.458 149 P HA -0.079 nan 4.420 nan 0.000 0.217 149 P C 1.748 179.038 177.300 -0.017 0.000 1.150 149 P CA 0.764 63.830 63.100 -0.058 0.000 0.832 149 P CB 0.119 31.774 31.700 -0.075 0.000 0.787 150 V N -1.268 118.588 119.914 -0.095 0.000 2.379 150 V HA -0.201 3.926 4.120 0.013 0.000 0.245 150 V C 2.088 178.330 176.094 0.247 0.000 1.044 150 V CA 1.660 63.985 62.300 0.041 0.000 1.036 150 V CB -1.224 30.637 31.823 0.063 0.000 0.664 150 V HN -0.027 nan 8.190 nan 0.000 0.453 151 F N -0.514 119.468 119.950 0.054 0.000 2.146 151 F HA -0.096 4.438 4.527 0.012 0.000 0.298 151 F C 2.211 178.045 175.800 0.056 0.000 1.096 151 F CA 0.683 58.702 58.000 0.031 0.000 1.275 151 F CB -1.190 37.786 39.000 -0.039 0.000 1.008 151 F HN 0.054 nan 8.300 nan 0.000 0.480 152 L N -1.120 120.249 121.223 0.243 0.000 2.042 152 L HA -0.280 4.068 4.340 0.013 0.000 0.210 152 L C 2.534 179.508 176.870 0.173 0.000 1.076 152 L CA 1.559 56.493 54.840 0.156 0.000 0.749 152 L CB -0.490 41.632 42.059 0.105 0.000 0.893 152 L HN 0.133 nan 8.230 nan 0.000 0.432 153 F N 0.260 120.243 119.950 0.056 0.000 2.146 153 F HA -0.238 4.297 4.527 0.013 0.000 0.298 153 F C 2.335 178.177 175.800 0.069 0.000 1.096 153 F CA 1.616 59.641 58.000 0.040 0.000 1.275 153 F CB -0.140 38.869 39.000 0.014 0.000 1.008 153 F HN -0.006 nan 8.300 nan 0.000 0.480 154 M N -0.219 119.508 119.600 0.211 0.000 2.159 154 M HA -0.187 4.301 4.480 0.013 0.000 0.263 154 M C 2.166 178.466 176.300 -0.000 0.000 1.063 154 M CA 1.676 57.038 55.300 0.104 0.000 1.110 154 M CB -0.380 32.365 32.600 0.242 0.000 1.374 154 M HN 0.034 nan 8.290 nan 0.000 0.411 155 R N -0.182 120.333 120.500 0.025 0.000 2.193 155 R HA 0.046 4.393 4.340 0.013 0.000 0.213 155 R C 2.208 178.482 176.300 -0.044 0.000 1.055 155 R CA 1.028 57.129 56.100 0.001 0.000 0.995 155 R CB -0.232 30.081 30.300 0.021 0.000 0.893 155 R HN 0.339 nan 8.270 nan 0.000 0.459 156 A N 0.654 123.414 122.820 -0.100 0.000 2.016 156 A HA -0.103 4.225 4.320 0.013 0.000 0.217 156 A C 1.780 179.250 177.584 -0.190 0.000 1.162 156 A CA 0.634 52.591 52.037 -0.133 0.000 0.662 156 A CB -0.086 18.830 19.000 -0.140 0.000 0.812 156 A HN 0.254 nan 8.150 nan 0.000 0.450 157 Q N -0.346 119.277 119.800 -0.296 0.000 2.439 157 Q HA -0.116 4.232 4.340 0.013 0.000 0.211 157 Q C 1.576 177.545 176.000 -0.052 0.000 0.978 157 Q CA 1.617 57.276 55.803 -0.240 0.000 0.897 157 Q CB -0.179 28.404 28.738 -0.258 0.000 0.956 157 Q HN 0.866 nan 8.270 nan 0.000 0.483 158 T N -3.347 111.192 114.554 -0.025 0.000 3.004 158 T HA 0.029 4.387 4.350 0.013 0.000 0.266 158 T C 0.130 174.805 174.700 -0.042 0.000 0.986 158 T CA -0.068 62.068 62.100 0.060 0.000 0.902 158 T CB 0.093 69.024 68.868 0.106 0.000 1.118 158 T HN 0.165 nan 8.240 nan 0.000 0.522 159 D N 1.225 121.570 120.400 -0.092 0.000 2.411 159 D HA 0.432 5.079 4.640 0.013 0.000 0.251 159 D C 0.477 176.630 176.300 -0.245 0.000 1.201 159 D CA -0.728 53.184 54.000 -0.148 0.000 0.996 159 D CB 0.932 41.686 40.800 -0.078 0.000 1.101 159 D HN 0.205 nan 8.370 nan 0.000 0.504 160 R N -1.739 118.613 120.500 -0.247 0.000 2.603 160 R HA 0.538 4.886 4.340 0.013 0.000 0.225 160 R C 1.101 177.336 176.300 -0.107 0.000 1.300 160 R CA -0.105 55.845 56.100 -0.249 0.000 1.075 160 R CB 0.428 30.569 30.300 -0.265 0.000 1.663 160 R HN 0.764 nan 8.270 nan 0.000 0.546 161 T N -2.346 112.157 114.554 -0.085 0.000 3.075 161 T HA 0.121 4.479 4.350 0.013 0.000 0.251 161 T C 0.298 174.961 174.700 -0.061 0.000 0.979 161 T CA -0.295 61.776 62.100 -0.047 0.000 1.033 161 T CB 0.286 69.135 68.868 -0.031 0.000 1.104 161 T HN 0.457 nan 8.240 nan 0.000 0.473 162 R N 1.711 122.177 120.500 -0.056 0.000 1.884 162 R HA -0.076 4.271 4.340 0.013 0.000 0.377 162 R C -0.228 176.042 176.300 -0.051 0.000 1.211 162 R CA 0.634 56.706 56.100 -0.046 0.000 1.026 162 R CB -1.571 28.703 30.300 -0.042 0.000 3.052 162 R HN 0.899 nan 8.270 nan 0.000 0.489 163 A N 4.910 127.709 122.820 -0.036 0.000 2.425 163 A HA 0.550 4.877 4.320 0.013 0.000 0.242 163 A C 0.651 178.215 177.584 -0.033 0.000 1.077 163 A CA 0.783 52.800 52.037 -0.034 0.000 0.781 163 A CB 0.402 19.393 19.000 -0.015 0.000 1.020 163 A HN 0.822 nan 8.150 nan 0.000 0.494 164 R N 0.631 121.111 120.500 -0.035 0.000 2.664 164 R HA 0.549 4.897 4.340 0.013 0.000 0.266 164 R C -3.329 172.960 176.300 -0.019 0.000 1.046 164 R CA -1.450 54.634 56.100 -0.027 0.000 0.885 164 R CB -0.017 30.262 30.300 -0.035 0.000 1.254 164 R HN 0.398 nan 8.270 nan 0.000 0.465 165 P HA 0.068 nan 4.420 nan 0.000 0.263 165 P C -1.154 176.147 177.300 0.001 0.000 1.195 165 P CA 0.098 63.197 63.100 -0.003 0.000 0.762 165 P CB 0.419 32.119 31.700 -0.000 0.000 0.799 166 M N 2.582 122.187 119.600 0.009 0.000 2.238 166 M HA 0.534 5.022 4.480 0.013 0.000 0.278 166 M C -0.149 176.177 176.300 0.043 0.000 1.040 166 M CA -0.243 55.073 55.300 0.027 0.000 0.969 166 M CB 1.846 34.464 32.600 0.030 0.000 1.694 166 M HN 0.476 nan 8.290 nan 0.000 0.472 167 G N 2.685 111.516 108.800 0.052 0.000 2.537 167 G HA2 0.370 4.338 3.960 0.013 0.000 0.297 167 G HA3 0.370 4.338 3.960 0.013 0.000 0.297 167 G C 0.534 175.492 174.900 0.096 0.000 1.310 167 G CA -0.739 44.392 45.100 0.053 0.000 1.027 167 G HN 0.839 nan 8.290 nan 0.000 0.505 168 L N 0.034 121.306 121.223 0.082 0.000 1.990 168 L HA -0.116 4.232 4.340 0.013 0.000 0.213 168 L C 2.910 179.889 176.870 0.181 0.000 1.072 168 L CA 2.376 57.291 54.840 0.124 0.000 0.755 168 L CB -0.772 41.339 42.059 0.086 0.000 0.889 168 L HN 0.696 nan 8.230 nan 0.000 0.432 169 G N -1.216 107.663 108.800 0.133 0.000 2.440 169 G HA2 -0.248 3.720 3.960 0.013 0.000 0.218 169 G HA3 -0.248 3.720 3.960 0.013 0.000 0.218 169 G C 1.440 176.417 174.900 0.128 0.000 1.154 169 G CA 0.772 45.949 45.100 0.128 0.000 0.767 169 G HN 0.568 nan 8.290 nan 0.000 0.552 170 G N -0.280 108.592 108.800 0.120 0.000 2.404 170 G HA2 -0.222 3.745 3.960 0.013 0.000 0.215 170 G HA3 -0.222 3.745 3.960 0.013 0.000 0.215 170 G C 1.636 176.619 174.900 0.139 0.000 1.174 170 G CA 1.035 46.198 45.100 0.104 0.000 0.780 170 G HN 0.437 nan 8.290 nan 0.000 0.537 171 Y N 1.148 121.488 120.300 0.066 0.000 2.165 171 Y HA -0.058 4.500 4.550 0.013 0.000 0.286 171 Y C 2.542 178.532 175.900 0.151 0.000 1.155 171 Y CA 1.446 59.605 58.100 0.099 0.000 1.164 171 Y CB -0.166 38.338 38.460 0.074 0.000 0.978 171 Y HN 0.100 nan 8.280 nan 0.000 0.513 172 L N 0.085 121.433 121.223 0.209 0.000 2.093 172 L HA -0.164 4.184 4.340 0.013 0.000 0.208 172 L C 2.600 179.468 176.870 -0.003 0.000 1.085 172 L CA 1.494 56.396 54.840 0.104 0.000 0.755 172 L CB -0.588 41.597 42.059 0.209 0.000 0.904 172 L HN 0.270 nan 8.230 nan 0.000 0.435 173 E N 0.050 120.277 120.200 0.044 0.000 2.150 173 E HA -0.265 4.093 4.350 0.013 0.000 0.193 173 E C 2.072 178.684 176.600 0.020 0.000 0.985 173 E CA 1.306 57.724 56.400 0.030 0.000 0.814 173 E CB -0.094 29.641 29.700 0.059 0.000 0.752 173 E HN 0.550 nan 8.360 nan 0.000 0.466 174 Y N 0.859 121.081 120.300 -0.129 0.000 2.242 174 Y HA -0.111 4.447 4.550 0.013 0.000 0.291 174 Y C 2.176 177.960 175.900 -0.193 0.000 1.137 174 Y CA 1.348 59.354 58.100 -0.156 0.000 1.181 174 Y CB 0.170 38.515 38.460 -0.192 0.000 0.989 174 Y HN -0.077 nan 8.280 nan 0.000 0.527 175 R N 0.820 121.164 120.500 -0.260 0.000 2.189 175 R HA -0.080 4.268 4.340 0.013 0.000 0.218 175 R C 1.771 177.940 176.300 -0.217 0.000 1.074 175 R CA 1.108 57.028 56.100 -0.300 0.000 0.991 175 R CB -0.453 29.686 30.300 -0.268 0.000 0.883 175 R HN 0.585 nan 8.270 nan 0.000 0.457 176 E N 0.268 120.364 120.200 -0.174 0.000 2.268 176 E HA -0.117 4.240 4.350 0.013 0.000 0.195 176 E C 1.113 177.641 176.600 -0.120 0.000 0.995 176 E CA 0.775 57.094 56.400 -0.135 0.000 0.836 176 E CB 0.077 29.717 29.700 -0.099 0.000 0.763 176 E HN 0.195 nan 8.360 nan 0.000 0.491 177 R N 0.732 121.134 120.500 -0.164 0.000 2.468 177 R HA 0.071 4.419 4.340 0.013 0.000 0.280 177 R C -0.345 175.837 176.300 -0.196 0.000 0.963 177 R CA -0.202 55.807 56.100 -0.151 0.000 1.083 177 R CB 0.285 30.502 30.300 -0.139 0.000 1.200 177 R HN 0.012 nan 8.270 nan 0.000 0.541 178 D N 0.731 120.998 120.400 -0.222 0.000 2.502 178 D HA -0.077 4.571 4.640 0.013 0.000 0.249 178 D C 1.595 177.854 176.300 -0.068 0.000 1.188 178 D CA 0.031 53.918 54.000 -0.188 0.000 0.890 178 D CB 1.171 41.893 40.800 -0.129 0.000 1.140 178 D HN 0.012 nan 8.370 nan 0.000 0.505 179 V N 2.343 122.241 119.914 -0.026 0.000 2.759 179 V HA 0.030 4.158 4.120 0.013 0.000 0.256 179 V C 1.992 178.176 176.094 0.150 0.000 1.080 179 V CA 1.554 63.892 62.300 0.063 0.000 1.101 179 V CB -0.851 31.030 31.823 0.096 0.000 0.698 179 V HN 0.593 nan 8.190 nan 0.000 0.477 180 G N 0.495 109.420 108.800 0.207 0.000 2.408 180 G HA2 -0.148 3.819 3.960 0.013 0.000 0.217 180 G HA3 -0.148 3.819 3.960 0.013 0.000 0.217 180 G C 1.595 176.475 174.900 -0.033 0.000 1.150 180 G CA 0.699 45.903 45.100 0.173 0.000 0.776 180 G HN 0.471 nan 8.290 nan 0.000 0.542 181 K N 0.730 121.133 120.400 0.006 0.000 2.155 181 K HA 0.050 4.378 4.320 0.013 0.000 0.203 181 K C 2.159 178.759 176.600 0.000 0.000 1.052 181 K CA 0.649 56.936 56.287 0.000 0.000 0.948 181 K CB -0.241 32.266 32.500 0.012 0.000 0.728 181 K HN 0.434 nan 8.250 nan 0.000 0.448 182 E N 0.654 120.852 120.200 -0.002 0.000 2.106 182 E HA -0.141 4.217 4.350 0.013 0.000 0.192 182 E C 1.827 178.415 176.600 -0.020 0.000 0.984 182 E CA 0.446 56.848 56.400 0.003 0.000 0.806 182 E CB -0.038 29.664 29.700 0.003 0.000 0.750 182 E HN 0.020 nan 8.360 nan 0.000 0.458 183 L N 0.884 122.065 121.223 -0.069 0.000 2.005 183 L HA -0.151 4.197 4.340 0.013 0.000 0.207 183 L C 1.975 178.774 176.870 -0.118 0.000 1.072 183 L CA 1.588 56.340 54.840 -0.147 0.000 0.744 183 L CB -0.577 41.273 42.059 -0.348 0.000 0.895 183 L HN 0.125 nan 8.230 nan 0.000 0.433 184 L N -0.259 120.905 121.223 -0.099 0.000 2.081 184 L HA -0.253 4.094 4.340 0.013 0.000 0.212 184 L C 2.640 179.595 176.870 0.143 0.000 1.080 184 L CA 1.355 56.234 54.840 0.066 0.000 0.754 184 L CB -0.982 41.100 42.059 0.038 0.000 0.893 184 L HN 0.445 nan 8.230 nan 0.000 0.433 185 A N -0.329 122.542 122.820 0.084 0.000 1.897 185 A HA -0.066 4.262 4.320 0.013 0.000 0.215 185 A C 2.521 180.165 177.584 0.099 0.000 1.181 185 A CA 1.509 53.624 52.037 0.131 0.000 0.620 185 A CB -0.601 18.493 19.000 0.156 0.000 0.821 185 A HN 0.385 nan 8.150 nan 0.000 0.443 186 A N -0.434 122.397 122.820 0.018 0.000 1.873 186 A HA 0.018 4.346 4.320 0.013 0.000 0.215 186 A C 2.089 179.628 177.584 -0.075 0.000 1.186 186 A CA 1.612 53.635 52.037 -0.022 0.000 0.616 186 A CB -0.672 18.297 19.000 -0.051 0.000 0.823 186 A HN 0.692 nan 8.150 nan 0.000 0.442 187 L N -0.522 120.609 121.223 -0.154 0.000 2.127 187 L HA -0.136 4.211 4.340 0.013 0.000 0.211 187 L C 2.388 178.961 176.870 -0.496 0.000 1.089 187 L CA 2.432 57.096 54.840 -0.293 0.000 0.757 187 L CB -0.447 41.431 42.059 -0.303 0.000 0.899 187 L HN 0.559 nan 8.230 nan 0.000 0.434 188 M N -1.360 117.921 119.600 -0.531 0.000 2.200 188 M HA -0.184 4.304 4.480 0.013 0.000 0.265 188 M C 2.362 178.546 176.300 -0.193 0.000 1.066 188 M CA 1.439 56.393 55.300 -0.576 0.000 1.127 188 M CB -0.140 32.360 32.600 -0.167 0.000 1.379 188 M HN 0.205 nan 8.290 nan 0.000 0.420 189 R N -0.555 119.923 120.500 -0.035 0.000 2.081 189 R HA -0.169 4.179 4.340 0.013 0.000 0.235 189 R C 2.115 178.394 176.300 -0.034 0.000 1.131 189 R CA 1.955 58.066 56.100 0.018 0.000 0.960 189 R CB -0.698 29.616 30.300 0.023 0.000 0.856 189 R HN 0.430 nan 8.270 nan 0.000 0.436 190 F N 1.524 121.362 119.950 -0.186 0.000 2.095 190 F HA -0.216 4.317 4.527 0.011 0.000 0.298 190 F C 2.255 177.930 175.800 -0.208 0.000 1.104 190 F CA 1.675 59.555 58.000 -0.200 0.000 1.232 190 F CB -0.204 38.645 39.000 -0.252 0.000 0.987 190 F HN -0.128 nan 8.300 nan 0.000 0.475 191 S N 0.400 116.033 115.700 -0.112 0.000 2.400 191 S HA -0.193 4.285 4.470 0.013 0.000 0.232 191 S C 1.783 176.273 174.600 -0.184 0.000 1.025 191 S CA 1.724 59.816 58.200 -0.181 0.000 0.993 191 S CB -0.350 62.686 63.200 -0.273 0.000 0.808 191 S HN 0.441 nan 8.310 nan 0.000 0.478 192 M N 0.054 119.564 119.600 -0.150 0.000 2.428 192 M HA 0.225 4.713 4.480 0.013 0.000 0.239 192 M C 1.360 177.596 176.300 -0.105 0.000 1.121 192 M CA 0.317 55.566 55.300 -0.086 0.000 1.019 192 M CB 0.286 32.870 32.600 -0.027 0.000 1.485 192 M HN 0.394 nan 8.290 nan 0.000 0.484 193 G N 2.005 110.692 108.800 -0.188 0.000 2.179 193 G HA2 -0.247 3.721 3.960 0.013 0.000 0.257 193 G HA3 -0.247 3.721 3.960 0.013 0.000 0.257 193 G C -0.051 174.788 174.900 -0.102 0.000 1.010 193 G CA -0.164 44.828 45.100 -0.180 0.000 0.736 193 G HN 0.443 nan 8.290 nan 0.000 0.513 194 L N 0.346 121.525 121.223 -0.072 0.000 2.363 194 L HA 0.272 4.620 4.340 0.013 0.000 0.286 194 L C 0.802 177.638 176.870 -0.056 0.000 1.106 194 L CA -0.082 54.736 54.840 -0.038 0.000 0.859 194 L CB 0.673 42.741 42.059 0.015 0.000 1.223 194 L HN 0.079 nan 8.230 nan 0.000 0.446 195 K N 4.061 124.427 120.400 -0.056 0.000 2.231 195 K HA 0.322 4.649 4.320 0.013 0.000 0.275 195 K C -0.803 175.759 176.600 -0.064 0.000 1.105 195 K CA -0.655 55.597 56.287 -0.057 0.000 0.931 195 K CB 0.615 33.087 32.500 -0.047 0.000 1.296 195 K HN 0.282 nan 8.250 nan 0.000 0.446 196 L N 2.415 123.584 121.223 -0.091 0.000 2.312 196 L HA 0.186 4.534 4.340 0.013 0.000 0.281 196 L C 0.677 177.493 176.870 -0.090 0.000 1.070 196 L CA -0.009 54.764 54.840 -0.112 0.000 0.805 196 L CB 1.272 43.211 42.059 -0.200 0.000 1.174 196 L HN 0.550 nan 8.230 nan 0.000 0.434 197 S N 3.377 119.033 115.700 -0.074 0.000 2.603 197 S HA 0.378 4.856 4.470 0.013 0.000 0.268 197 S C -1.886 172.676 174.600 -0.063 0.000 1.317 197 S CA -0.951 57.215 58.200 -0.057 0.000 1.012 197 S CB 0.735 63.909 63.200 -0.043 0.000 0.926 197 S HN 0.505 nan 8.310 nan 0.000 0.539 198 P HA -0.108 nan 4.420 nan 0.000 0.216 198 P C 1.774 179.047 177.300 -0.044 0.000 1.150 198 P CA 1.423 64.494 63.100 -0.047 0.000 0.837 198 P CB -0.095 31.584 31.700 -0.035 0.000 0.786 199 S N -0.718 114.960 115.700 -0.037 0.000 2.382 199 S HA -0.208 4.270 4.470 0.013 0.000 0.228 199 S C 1.841 176.419 174.600 -0.037 0.000 1.027 199 S CA 1.418 59.600 58.200 -0.031 0.000 0.991 199 S CB -0.704 62.481 63.200 -0.024 0.000 0.823 199 S HN 0.166 nan 8.310 nan 0.000 0.469 200 E N 0.325 120.494 120.200 -0.051 0.000 2.072 200 E HA -0.010 4.348 4.350 0.013 0.000 0.190 200 E C 2.101 178.650 176.600 -0.085 0.000 0.982 200 E CA 1.145 57.508 56.400 -0.062 0.000 0.803 200 E CB -0.197 29.457 29.700 -0.076 0.000 0.755 200 E HN 0.476 nan 8.360 nan 0.000 0.453 201 L N 1.005 122.162 121.223 -0.109 0.000 2.141 201 L HA -0.195 4.153 4.340 0.013 0.000 0.209 201 L C 2.521 179.353 176.870 -0.063 0.000 1.094 201 L CA 0.715 55.479 54.840 -0.127 0.000 0.763 201 L CB -0.192 41.789 42.059 -0.129 0.000 0.908 201 L HN 0.109 nan 8.230 nan 0.000 0.437 202 Q N 0.429 120.203 119.800 -0.043 0.000 2.079 202 Q HA -0.170 4.178 4.340 0.013 0.000 0.200 202 Q C 2.207 178.202 176.000 -0.008 0.000 0.974 202 Q CA 1.440 57.230 55.803 -0.021 0.000 0.840 202 Q CB -0.258 28.470 28.738 -0.018 0.000 0.898 202 Q HN 0.621 nan 8.270 nan 0.000 0.430 203 R N -0.039 120.455 120.500 -0.009 0.000 2.316 203 R HA 0.062 4.410 4.340 0.013 0.000 0.202 203 R C 1.467 177.779 176.300 0.020 0.000 1.029 203 R CA 0.628 56.730 56.100 0.004 0.000 1.018 203 R CB -0.165 30.136 30.300 0.001 0.000 0.888 203 R HN -0.024 nan 8.270 nan 0.000 0.471 204 V N 1.249 121.177 119.914 0.023 0.000 3.376 204 V HA 0.155 4.283 4.120 0.013 0.000 0.313 204 V C 1.337 177.480 176.094 0.082 0.000 1.393 204 V CA -0.173 62.171 62.300 0.074 0.000 1.125 204 V CB -0.018 31.868 31.823 0.106 0.000 1.037 204 V HN 0.241 nan 8.190 nan 0.000 0.440 205 R N 0.387 120.913 120.500 0.044 0.000 2.073 205 R HA -0.126 4.221 4.340 0.013 0.000 0.234 205 R C 1.919 178.245 176.300 0.043 0.000 1.134 205 R CA 1.869 57.991 56.100 0.038 0.000 0.952 205 R CB -0.329 29.982 30.300 0.019 0.000 0.850 205 R HN 0.629 nan 8.270 nan 0.000 0.433 206 E N 0.386 120.612 120.200 0.043 0.000 2.077 206 E HA -0.132 4.226 4.350 0.013 0.000 0.193 206 E C 2.150 178.786 176.600 0.059 0.000 0.989 206 E CA 0.971 57.397 56.400 0.044 0.000 0.800 206 E CB -0.174 29.553 29.700 0.045 0.000 0.746 206 E HN 0.282 nan 8.360 nan 0.000 0.452 207 I N 1.459 122.078 120.570 0.081 0.000 2.226 207 I HA -0.260 3.918 4.170 0.013 0.000 0.245 207 I C 1.933 178.123 176.117 0.122 0.000 1.100 207 I CA 1.011 62.384 61.300 0.122 0.000 1.374 207 I CB -0.164 37.911 38.000 0.126 0.000 1.057 207 I HN 0.019 nan 8.210 nan 0.000 0.413 208 D N 0.908 121.378 120.400 0.116 0.000 2.117 208 D HA -0.147 4.501 4.640 0.013 0.000 0.197 208 D C 2.234 178.550 176.300 0.027 0.000 0.987 208 D CA 1.576 55.633 54.000 0.096 0.000 0.829 208 D CB -0.109 40.760 40.800 0.115 0.000 0.961 208 D HN 0.351 nan 8.370 nan 0.000 0.460 209 A N 0.725 123.549 122.820 0.006 0.000 1.898 209 A HA -0.207 4.121 4.320 0.013 0.000 0.216 209 A C 2.045 179.561 177.584 -0.113 0.000 1.181 209 A CA 1.791 53.799 52.037 -0.048 0.000 0.620 209 A CB -0.743 18.235 19.000 -0.036 0.000 0.819 209 A HN 0.223 nan 8.150 nan 0.000 0.442 210 N N -0.472 118.182 118.700 -0.078 0.000 2.084 210 N HA -0.188 4.560 4.740 0.013 0.000 0.190 210 N C 1.769 177.184 175.510 -0.159 0.000 1.030 210 N CA 1.887 54.850 53.050 -0.146 0.000 0.849 210 N CB -0.690 37.821 38.487 0.041 0.000 1.012 210 N HN 0.480 nan 8.380 nan 0.000 0.423 211 C N -0.731 118.544 119.300 -0.043 0.000 2.432 211 C HA -0.014 4.454 4.460 0.013 0.000 0.277 211 C C 2.976 177.941 174.990 -0.042 0.000 1.249 211 C CA 1.512 60.502 59.018 -0.047 0.000 1.725 211 C CB -1.642 26.070 27.740 -0.046 0.000 2.028 211 C HN 0.582 nan 8.230 nan 0.000 0.477 212 S N -0.204 115.459 115.700 -0.062 0.000 2.370 212 S HA -0.193 4.285 4.470 0.013 0.000 0.226 212 S C 1.998 176.537 174.600 -0.102 0.000 1.033 212 S CA 1.730 59.895 58.200 -0.058 0.000 1.011 212 S CB -0.367 62.791 63.200 -0.069 0.000 0.852 212 S HN 0.740 nan 8.310 nan 0.000 0.457 213 K N -0.204 120.044 120.400 -0.254 0.000 2.057 213 K HA -0.121 4.207 4.320 0.013 0.000 0.206 213 K C 2.249 178.671 176.600 -0.298 0.000 1.050 213 K CA 1.301 57.336 56.287 -0.420 0.000 0.935 213 K CB -0.449 31.489 32.500 -0.937 0.000 0.715 213 K HN 0.511 nan 8.250 nan 0.000 0.439 214 H N 1.638 120.526 119.070 -0.302 0.000 2.321 214 H HA -0.073 4.491 4.556 0.013 0.000 0.300 214 H C 1.989 177.393 175.328 0.125 0.000 1.087 214 H CA 1.473 57.575 56.048 0.090 0.000 1.319 214 H CB -0.139 29.729 29.762 0.177 0.000 1.379 214 H HN 0.083 nan 8.280 nan 0.000 0.501 215 L N -0.040 121.374 121.223 0.319 0.000 2.046 215 L HA -0.160 4.188 4.340 0.013 0.000 0.208 215 L C 2.855 179.864 176.870 0.232 0.000 1.077 215 L CA 1.367 56.379 54.840 0.285 0.000 0.747 215 L CB -0.483 41.698 42.059 0.204 0.000 0.896 215 L HN 0.172 nan 8.230 nan 0.000 0.432 216 S N -0.497 115.299 115.700 0.160 0.000 2.368 216 S HA -0.120 4.358 4.470 0.013 0.000 0.224 216 S C 2.022 176.743 174.600 0.201 0.000 1.029 216 S CA 1.127 59.430 58.200 0.172 0.000 0.988 216 S CB -0.170 63.091 63.200 0.100 0.000 0.838 216 S HN 0.163 nan 8.310 nan 0.000 0.462 217 V N 1.246 121.267 119.914 0.179 0.000 2.453 217 V HA -0.075 4.053 4.120 0.013 0.000 0.247 217 V C 2.272 178.387 176.094 0.036 0.000 1.048 217 V CA 1.086 63.484 62.300 0.164 0.000 1.049 217 V CB -0.623 31.372 31.823 0.288 0.000 0.672 217 V HN 0.313 nan 8.190 nan 0.000 0.457 218 V N 0.701 120.634 119.914 0.032 0.000 2.407 218 V HA -0.286 3.842 4.120 0.013 0.000 0.248 218 V C 2.123 178.326 176.094 0.181 0.000 1.055 218 V CA 2.418 64.720 62.300 0.003 0.000 1.049 218 V CB -0.917 30.962 31.823 0.094 0.000 0.662 218 V HN 0.645 nan 8.190 nan 0.000 0.455 219 N N -0.130 118.724 118.700 0.257 0.000 2.084 219 N HA -0.197 4.551 4.740 0.013 0.000 0.190 219 N C 1.537 177.091 175.510 0.075 0.000 1.030 219 N CA 1.472 54.718 53.050 0.328 0.000 0.849 219 N CB -0.186 38.553 38.487 0.420 0.000 1.012 219 N HN 0.446 nan 8.380 nan 0.000 0.423 220 D N 1.128 121.567 120.400 0.065 0.000 2.116 220 D HA -0.153 4.495 4.640 0.013 0.000 0.193 220 D C 1.948 178.181 176.300 -0.111 0.000 0.998 220 D CA 0.900 54.894 54.000 -0.010 0.000 0.836 220 D CB -0.360 40.452 40.800 0.020 0.000 0.951 220 D HN 0.310 nan 8.370 nan 0.000 0.449 221 I N -0.382 120.076 120.570 -0.187 0.000 2.163 221 I HA -0.306 3.872 4.170 0.013 0.000 0.243 221 I C 1.998 177.868 176.117 -0.411 0.000 1.085 221 I CA 1.251 62.327 61.300 -0.373 0.000 1.347 221 I CB -0.274 37.345 38.000 -0.635 0.000 1.044 221 I HN 0.047 nan 8.210 nan 0.000 0.408 222 Y N 0.060 120.253 120.300 -0.178 0.000 2.519 222 Y HA -0.082 4.476 4.550 0.013 0.000 0.287 222 Y C 2.692 178.339 175.900 -0.421 0.000 1.128 222 Y CA 0.875 58.873 58.100 -0.170 0.000 1.282 222 Y CB -0.088 38.363 38.460 -0.016 0.000 1.027 222 Y HN 0.201 nan 8.280 nan 0.000 0.551 223 S N -1.895 113.446 115.700 -0.598 0.000 2.517 223 S HA -0.115 4.363 4.470 0.013 0.000 0.214 223 S C 1.695 176.093 174.600 -0.336 0.000 0.991 223 S CA -0.168 57.515 58.200 -0.862 0.000 0.906 223 S CB -0.762 61.776 63.200 -1.103 0.000 0.789 223 S HN 0.463 nan 8.310 nan 0.000 0.513 224 Y N 3.111 123.229 120.300 -0.303 0.000 2.069 224 Y HA -0.263 4.295 4.550 0.013 0.000 0.278 224 Y C 2.012 177.788 175.900 -0.207 0.000 1.175 224 Y CA 2.366 60.331 58.100 -0.225 0.000 1.134 224 Y CB -0.753 37.589 38.460 -0.197 0.000 0.965 224 Y HN 0.270 nan 8.280 nan 0.000 0.498 225 E N 0.136 120.225 120.200 -0.184 0.000 2.065 225 E HA -0.277 4.081 4.350 0.013 0.000 0.201 225 E C 2.150 178.562 176.600 -0.314 0.000 1.016 225 E CA 1.967 58.237 56.400 -0.215 0.000 0.818 225 E CB -0.313 29.352 29.700 -0.057 0.000 0.749 225 E HN 0.243 nan 8.360 nan 0.000 0.453 226 K N 1.057 121.297 120.400 -0.267 0.000 1.985 226 K HA -0.138 4.190 4.320 0.013 0.000 0.210 226 K C 1.857 178.005 176.600 -0.753 0.000 1.047 226 K CA 1.767 57.869 56.287 -0.307 0.000 0.932 226 K CB -0.218 32.225 32.500 -0.095 0.000 0.716 226 K HN 0.128 nan 8.250 nan 0.000 0.439 227 E N 0.174 119.997 120.200 -0.629 0.000 2.147 227 E HA -0.192 4.166 4.350 0.013 0.000 0.199 227 E C 0.285 176.368 176.600 -0.861 0.000 1.005 227 E CA 0.468 56.448 56.400 -0.700 0.000 0.810 227 E CB -0.252 29.246 29.700 -0.336 0.000 0.736 227 E HN 0.247 nan 8.360 nan 0.000 0.460 228 L N 2.139 122.898 121.223 -0.772 0.000 2.600 228 L HA 0.062 4.410 4.340 0.013 0.000 0.278 228 L C -0.881 175.800 176.870 -0.315 0.000 1.139 228 L CA 0.024 54.530 54.840 -0.557 0.000 0.933 228 L CB -0.528 41.111 42.059 -0.699 0.000 1.266 228 L HN 0.117 nan 8.230 nan 0.000 0.471 229 Y N 0.869 121.102 120.300 -0.111 0.000 2.755 229 Y HA 0.472 5.030 4.550 0.013 0.000 0.368 229 Y C -1.207 174.669 175.900 -0.040 0.000 1.177 229 Y CA -1.411 56.650 58.100 -0.065 0.000 1.290 229 Y CB 0.878 39.305 38.460 -0.055 0.000 1.415 229 Y HN 0.262 nan 8.280 nan 0.000 0.501 242 C N 3.347 122.675 119.300 0.046 0.000 2.738 242 C HA -0.022 4.446 4.460 0.013 0.000 0.270 242 C C 0.276 175.322 174.990 0.093 0.000 1.049 242 C CA 1.700 60.770 59.018 0.088 0.000 2.684 242 C CB -2.190 25.639 27.740 0.148 0.000 1.606 242 C HN 1.279 nan 8.230 nan 0.000 0.416 243 T N 1.871 116.315 114.554 -0.184 0.000 3.012 243 T HA 0.549 4.907 4.350 0.013 0.000 0.330 243 T C 0.917 175.200 174.700 -0.694 0.000 1.321 243 T CA 0.351 62.244 62.100 -0.344 0.000 1.067 243 T CB 1.225 70.068 68.868 -0.041 0.000 1.235 243 T HN 1.517 nan 8.240 nan 0.000 0.479 244 S N 2.739 117.889 115.700 -0.917 0.000 2.402 244 S HA -0.128 4.350 4.470 0.013 0.000 0.233 244 S C 1.958 176.366 174.600 -0.320 0.000 1.030 244 S CA 1.792 59.648 58.200 -0.573 0.000 1.003 244 S CB -0.908 62.182 63.200 -0.183 0.000 0.813 244 S HN 0.630 nan 8.310 nan 0.000 0.477 245 V N 2.322 122.060 119.914 -0.294 0.000 2.261 245 V HA -0.234 3.894 4.120 0.013 0.000 0.246 245 V C 2.958 178.841 176.094 -0.352 0.000 1.047 245 V CA 2.281 64.368 62.300 -0.355 0.000 1.015 245 V CB -1.114 30.406 31.823 -0.505 0.000 0.642 245 V HN 0.650 nan 8.190 nan 0.000 0.446 246 Q N -0.248 119.402 119.800 -0.250 0.000 2.123 246 Q HA -0.122 4.226 4.340 0.013 0.000 0.199 246 Q C 2.152 178.073 176.000 -0.132 0.000 0.966 246 Q CA 1.701 57.420 55.803 -0.139 0.000 0.845 246 Q CB -0.188 28.556 28.738 0.009 0.000 0.907 246 Q HN 0.640 nan 8.270 nan 0.000 0.439 247 I N 0.312 120.780 120.570 -0.170 0.000 2.179 247 I HA -0.252 3.926 4.170 0.013 0.000 0.242 247 I C 2.174 178.228 176.117 -0.106 0.000 1.088 247 I CA 0.652 61.873 61.300 -0.132 0.000 1.357 247 I CB -0.189 37.708 38.000 -0.173 0.000 1.051 247 I HN 0.325 nan 8.210 nan 0.000 0.409 248 L N 0.985 122.130 121.223 -0.130 0.000 2.056 248 L HA -0.087 4.260 4.340 0.013 0.000 0.207 248 L C 2.533 179.343 176.870 -0.100 0.000 1.078 248 L CA 2.015 56.795 54.840 -0.100 0.000 0.749 248 L CB -0.794 41.201 42.059 -0.107 0.000 0.901 248 L HN 0.179 nan 8.230 nan 0.000 0.433 249 A N -0.442 122.300 122.820 -0.130 0.000 1.940 249 A HA -0.263 4.064 4.320 0.013 0.000 0.219 249 A C 2.123 179.662 177.584 -0.076 0.000 1.176 249 A CA 1.856 53.824 52.037 -0.115 0.000 0.631 249 A CB -0.617 18.293 19.000 -0.151 0.000 0.814 249 A HN 0.764 nan 8.150 nan 0.000 0.446 250 Q N -1.150 118.610 119.800 -0.066 0.000 2.331 250 Q HA 0.031 4.379 4.340 0.013 0.000 0.203 250 Q C 1.388 177.368 176.000 -0.034 0.000 0.944 250 Q CA 0.996 56.774 55.803 -0.042 0.000 0.892 250 Q CB -0.192 28.526 28.738 -0.032 0.000 0.983 250 Q HN 0.721 nan 8.270 nan 0.000 0.482 251 E N 0.974 121.151 120.200 -0.038 0.000 2.230 251 E HA 0.010 4.367 4.350 0.013 0.000 0.192 251 E C 1.461 178.045 176.600 -0.027 0.000 0.987 251 E CA 0.826 57.210 56.400 -0.026 0.000 0.841 251 E CB 0.221 29.908 29.700 -0.021 0.000 0.783 251 E HN 0.473 nan 8.360 nan 0.000 0.481 252 A N 0.944 123.742 122.820 -0.037 0.000 2.303 252 A HA 0.003 4.331 4.320 0.013 0.000 0.217 252 A C 0.380 177.942 177.584 -0.036 0.000 1.205 252 A CA 0.133 52.148 52.037 -0.037 0.000 0.875 252 A CB 0.388 19.360 19.000 -0.046 0.000 0.910 252 A HN 0.140 nan 8.150 nan 0.000 0.501 253 D N -0.377 120.000 120.400 -0.037 0.000 2.746 253 D HA -0.126 4.521 4.640 0.013 0.000 0.241 253 D C -0.058 176.220 176.300 -0.038 0.000 1.140 253 D CA 1.098 55.078 54.000 -0.034 0.000 0.707 253 D CB -1.719 39.067 40.800 -0.025 0.000 1.034 253 D HN 0.960 nan 8.370 nan 0.000 0.423 254 V N -2.356 117.528 119.914 -0.050 0.000 3.126 254 V HA 0.874 5.002 4.120 0.013 0.000 0.314 254 V C 1.057 177.112 176.094 -0.066 0.000 1.138 254 V CA -0.160 62.108 62.300 -0.055 0.000 1.034 254 V CB 1.554 33.340 31.823 -0.062 0.000 1.075 254 V HN 0.314 nan 8.190 nan 0.000 0.442 255 T N -0.925 113.590 114.554 -0.065 0.000 2.748 255 T HA 0.499 4.857 4.350 0.013 0.000 0.304 255 T C 1.364 175.989 174.700 -0.125 0.000 1.041 255 T CA 0.320 62.378 62.100 -0.071 0.000 1.033 255 T CB 0.942 69.778 68.868 -0.053 0.000 0.995 255 T HN 1.654 nan 8.240 nan 0.000 0.536 256 A N 0.316 123.040 122.820 -0.160 0.000 1.933 256 A HA -0.041 4.287 4.320 0.013 0.000 0.218 256 A C 2.289 179.694 177.584 -0.298 0.000 1.175 256 A CA 1.783 53.612 52.037 -0.346 0.000 0.628 256 A CB -1.117 17.565 19.000 -0.529 0.000 0.814 256 A HN 0.952 nan 8.150 nan 0.000 0.444 257 E N 0.360 120.458 120.200 -0.170 0.000 2.077 257 E HA -0.087 4.271 4.350 0.013 0.000 0.193 257 E C 2.040 178.571 176.600 -0.115 0.000 0.989 257 E CA 1.593 57.917 56.400 -0.126 0.000 0.800 257 E CB -0.493 29.168 29.700 -0.066 0.000 0.746 257 E HN 0.475 nan 8.360 nan 0.000 0.452 258 A N 0.665 123.424 122.820 -0.102 0.000 1.902 258 A HA -0.048 4.280 4.320 0.013 0.000 0.217 258 A C 2.432 179.953 177.584 -0.105 0.000 1.181 258 A CA 2.058 54.044 52.037 -0.085 0.000 0.623 258 A CB -0.987 17.970 19.000 -0.072 0.000 0.818 258 A HN 0.367 nan 8.150 nan 0.000 0.443 259 A N 0.083 122.816 122.820 -0.145 0.000 1.908 259 A HA -0.201 4.127 4.320 0.013 0.000 0.218 259 A C 2.096 179.578 177.584 -0.170 0.000 1.181 259 A CA 1.869 53.807 52.037 -0.165 0.000 0.627 259 A CB -0.487 18.380 19.000 -0.222 0.000 0.818 259 A HN 0.559 nan 8.150 nan 0.000 0.445 260 K N -0.573 119.705 120.400 -0.202 0.000 2.063 260 K HA -0.172 4.156 4.320 0.013 0.000 0.208 260 K C 2.258 178.809 176.600 -0.080 0.000 1.048 260 K CA 1.618 57.786 56.287 -0.198 0.000 0.928 260 K CB -0.231 32.136 32.500 -0.221 0.000 0.713 260 K HN 0.445 nan 8.250 nan 0.000 0.442 261 R N 0.486 120.963 120.500 -0.037 0.000 2.092 261 R HA -0.067 4.280 4.340 0.013 0.000 0.231 261 R C 2.368 178.675 176.300 0.011 0.000 1.119 261 R CA 1.040 57.156 56.100 0.027 0.000 0.970 261 R CB -0.393 29.899 30.300 -0.014 0.000 0.864 261 R HN 0.006 nan 8.270 nan 0.000 0.440 262 V N 1.685 121.573 119.914 -0.044 0.000 2.307 262 V HA -0.207 3.921 4.120 0.013 0.000 0.245 262 V C 2.340 178.386 176.094 -0.080 0.000 1.045 262 V CA 1.584 63.845 62.300 -0.064 0.000 1.024 262 V CB -0.419 31.357 31.823 -0.079 0.000 0.651 262 V HN 0.255 nan 8.190 nan 0.000 0.449 263 L N -1.315 119.852 121.223 -0.094 0.000 2.079 263 L HA -0.214 4.134 4.340 0.013 0.000 0.210 263 L C 2.359 179.169 176.870 -0.101 0.000 1.081 263 L CA 1.823 56.588 54.840 -0.125 0.000 0.752 263 L CB -0.582 41.395 42.059 -0.136 0.000 0.896 263 L HN 0.267 nan 8.230 nan 0.000 0.433 264 F N -0.458 119.407 119.950 -0.142 0.000 2.171 264 F HA -0.248 4.286 4.527 0.013 0.000 0.300 264 F C 2.346 178.056 175.800 -0.150 0.000 1.090 264 F CA 0.903 58.828 58.000 -0.126 0.000 1.293 264 F CB 0.131 39.071 39.000 -0.101 0.000 1.013 264 F HN -0.206 nan 8.300 nan 0.000 0.486 265 V N 0.077 120.027 119.914 0.061 0.000 2.358 265 V HA -0.372 3.756 4.120 0.013 0.000 0.246 265 V C 2.249 178.243 176.094 -0.166 0.000 1.047 265 V CA 1.975 64.243 62.300 -0.054 0.000 1.035 265 V CB -0.507 31.270 31.823 -0.076 0.000 0.658 265 V HN 0.398 nan 8.190 nan 0.000 0.452 266 M N -0.634 118.799 119.600 -0.279 0.000 2.106 266 M HA -0.278 4.210 4.480 0.013 0.000 0.259 266 M C 2.276 178.106 176.300 -0.784 0.000 1.068 266 M CA 2.335 57.270 55.300 -0.609 0.000 1.100 266 M CB -0.429 31.740 32.600 -0.717 0.000 1.351 266 M HN 0.481 nan 8.290 nan 0.000 0.404 267 C N 0.209 119.270 119.300 -0.398 0.000 2.413 267 C HA -0.123 4.344 4.460 0.013 0.000 0.276 267 C C 2.579 177.624 174.990 0.091 0.000 1.248 267 C CA 0.727 59.721 59.018 -0.039 0.000 1.742 267 C CB -1.327 26.346 27.740 -0.111 0.000 2.017 267 C HN 0.532 nan 8.230 nan 0.000 0.481 268 R N 1.016 121.518 120.500 0.005 0.000 2.152 268 R HA -0.042 4.305 4.340 0.013 0.000 0.232 268 R C 1.862 178.129 176.300 -0.055 0.000 1.117 268 R CA 0.869 56.958 56.100 -0.019 0.000 0.981 268 R CB -0.675 29.588 30.300 -0.061 0.000 0.870 268 R HN 0.600 nan 8.270 nan 0.000 0.451 269 E N -0.669 119.446 120.200 -0.141 0.000 2.107 269 E HA -0.126 4.232 4.350 0.013 0.000 0.191 269 E C 1.814 178.416 176.600 0.003 0.000 0.982 269 E CA 0.564 56.877 56.400 -0.145 0.000 0.809 269 E CB -0.091 29.433 29.700 -0.292 0.000 0.756 269 E HN 0.355 nan 8.360 nan 0.000 0.459 270 W N 1.461 122.823 121.300 0.103 0.000 2.467 270 W HA -0.022 4.646 4.660 0.013 0.000 0.275 270 W C 1.813 178.423 176.519 0.152 0.000 1.239 270 W CA 0.458 57.893 57.345 0.150 0.000 1.266 270 W CB -0.485 29.104 29.460 0.215 0.000 1.112 270 W HN 0.245 nan 8.180 nan 0.000 0.576 271 E N 0.089 120.454 120.200 0.276 0.000 2.072 271 E HA -0.192 4.166 4.350 0.013 0.000 0.191 271 E C 2.116 178.749 176.600 0.055 0.000 0.985 271 E CA 1.054 57.454 56.400 0.000 0.000 0.801 271 E CB -0.532 28.834 29.700 -0.557 0.000 0.750 271 E HN 0.043 nan 8.360 nan 0.000 0.452 272 L N 1.404 122.644 121.223 0.029 0.000 2.056 272 L HA -0.137 4.211 4.340 0.013 0.000 0.207 272 L C 2.339 179.282 176.870 0.122 0.000 1.078 272 L CA 1.696 56.565 54.840 0.048 0.000 0.749 272 L CB -0.292 41.772 42.059 0.008 0.000 0.901 272 L HN -0.089 nan 8.230 nan 0.000 0.433 273 R N -1.669 118.935 120.500 0.172 0.000 2.081 273 R HA -0.266 4.081 4.340 0.013 0.000 0.235 273 R C 2.423 178.841 176.300 0.196 0.000 1.131 273 R CA 1.727 57.939 56.100 0.186 0.000 0.960 273 R CB -0.474 29.983 30.300 0.261 0.000 0.856 273 R HN 0.628 nan 8.270 nan 0.000 0.436 274 H N 0.408 119.580 119.070 0.170 0.000 2.289 274 H HA -0.157 4.407 4.556 0.013 0.000 0.296 274 H C 2.026 177.437 175.328 0.139 0.000 1.091 274 H CA 2.610 58.756 56.048 0.162 0.000 1.274 274 H CB -0.092 29.813 29.762 0.238 0.000 1.364 274 H HN 0.338 nan 8.280 nan 0.000 0.490 275 Q N -0.060 119.854 119.800 0.190 0.000 2.061 275 Q HA -0.141 4.207 4.340 0.013 0.000 0.204 275 Q C 2.674 178.684 176.000 0.016 0.000 0.984 275 Q CA 1.702 57.558 55.803 0.088 0.000 0.846 275 Q CB -0.145 28.692 28.738 0.164 0.000 0.902 275 Q HN 0.481 nan 8.270 nan 0.000 0.421 276 L N 0.390 121.639 121.223 0.043 0.000 2.042 276 L HA -0.240 4.107 4.340 0.013 0.000 0.210 276 L C 2.388 179.261 176.870 0.005 0.000 1.076 276 L CA 1.107 55.964 54.840 0.028 0.000 0.749 276 L CB -0.506 41.580 42.059 0.045 0.000 0.893 276 L HN 0.290 nan 8.230 nan 0.000 0.432 277 L N -1.075 120.144 121.223 -0.007 0.000 2.056 277 L HA -0.185 4.163 4.340 0.013 0.000 0.207 277 L C 2.510 179.342 176.870 -0.064 0.000 1.078 277 L CA 0.795 55.621 54.840 -0.023 0.000 0.749 277 L CB -0.442 41.609 42.059 -0.014 0.000 0.901 277 L HN 0.062 nan 8.230 nan 0.000 0.433 278 V N 0.003 119.833 119.914 -0.139 0.000 2.407 278 V HA -0.272 3.856 4.120 0.013 0.000 0.248 278 V C 2.718 178.781 176.094 -0.051 0.000 1.055 278 V CA 1.751 63.974 62.300 -0.129 0.000 1.049 278 V CB -0.843 30.858 31.823 -0.204 0.000 0.662 278 V HN 0.477 nan 8.190 nan 0.000 0.455 279 A N -0.108 122.693 122.820 -0.032 0.000 1.930 279 A HA -0.230 4.097 4.320 0.013 0.000 0.217 279 A C 2.414 179.996 177.584 -0.003 0.000 1.175 279 A CA 1.905 53.938 52.037 -0.007 0.000 0.627 279 A CB -0.527 18.476 19.000 0.004 0.000 0.815 279 A HN 0.473 nan 8.150 nan 0.000 0.443 280 R N -0.791 119.707 120.500 -0.003 0.000 2.115 280 R HA -0.004 4.344 4.340 0.013 0.000 0.226 280 R C 1.939 178.240 176.300 0.002 0.000 1.100 280 R CA 0.940 57.041 56.100 0.003 0.000 0.980 280 R CB -0.191 30.113 30.300 0.007 0.000 0.875 280 R HN 0.449 nan 8.270 nan 0.000 0.445 281 L N 0.239 121.460 121.223 -0.003 0.000 2.109 281 L HA -0.066 4.282 4.340 0.013 0.000 0.207 281 L C 2.027 178.898 176.870 0.002 0.000 1.086 281 L CA 1.737 56.577 54.840 0.000 0.000 0.760 281 L CB -0.643 41.415 42.059 -0.002 0.000 0.910 281 L HN 0.211 nan 8.230 nan 0.000 0.437 282 S N -0.345 115.355 115.700 -0.000 0.000 2.377 282 S HA -0.018 4.460 4.470 0.013 0.000 0.223 282 S C 2.034 176.637 174.600 0.005 0.000 1.030 282 S CA 0.870 59.072 58.200 0.003 0.000 0.970 282 S CB -0.051 63.150 63.200 0.003 0.000 0.830 282 S HN 0.528 nan 8.310 nan 0.000 0.473 283 A N 0.636 123.459 122.820 0.004 0.000 2.234 283 A HA 0.032 4.360 4.320 0.013 0.000 0.216 283 A C 0.911 178.498 177.584 0.005 0.000 1.167 283 A CA 0.859 52.900 52.037 0.006 0.000 0.698 283 A CB -0.249 18.754 19.000 0.006 0.000 0.779 283 A HN 0.668 nan 8.150 nan 0.000 0.475 284 E N -2.446 117.757 120.200 0.005 0.000 2.303 284 E HA 0.485 4.843 4.350 0.013 0.000 0.254 284 E C 0.740 177.342 176.600 0.004 0.000 0.979 284 E CA -0.257 56.145 56.400 0.005 0.000 0.843 284 E CB 0.880 30.583 29.700 0.005 0.000 1.245 284 E HN 0.122 nan 8.360 nan 0.000 0.413 285 G N 0.330 109.132 108.800 0.004 0.000 3.383 285 G HA2 0.073 4.041 3.960 0.013 0.000 0.251 285 G HA3 0.073 4.041 3.960 0.013 0.000 0.251 285 G C 0.749 175.651 174.900 0.003 0.000 1.203 285 G CA 0.050 45.152 45.100 0.003 0.000 0.852 285 G HN 0.224 nan 8.290 nan 0.000 0.531 286 L N -0.717 120.509 121.223 0.003 0.000 2.249 286 L HA 0.199 4.547 4.340 0.013 0.000 0.207 286 L C 1.465 178.338 176.870 0.006 0.000 1.090 286 L CA 0.139 54.981 54.840 0.003 0.000 0.802 286 L CB -0.121 41.940 42.059 0.004 0.000 0.947 286 L HN 0.246 nan 8.230 nan 0.000 0.453 287 E N 0.437 120.642 120.200 0.008 0.000 2.418 287 E HA 0.035 4.393 4.350 0.013 0.000 0.261 287 E C -0.469 176.138 176.600 0.011 0.000 1.070 287 E CA 0.286 56.694 56.400 0.013 0.000 0.931 287 E CB 0.820 30.528 29.700 0.013 0.000 0.954 287 E HN -0.106 nan 8.360 nan 0.000 0.439 288 T N 2.616 117.180 114.554 0.016 0.000 2.883 288 T HA 0.306 4.664 4.350 0.013 0.000 0.296 288 T C -2.161 172.550 174.700 0.018 0.000 1.117 288 T CA -1.700 60.407 62.100 0.011 0.000 1.006 288 T CB 1.446 70.316 68.868 0.003 0.000 1.191 288 T HN 0.272 nan 8.240 nan 0.000 0.508 289 P HA -0.012 nan 4.420 nan 0.000 0.214 289 P C 1.467 178.782 177.300 0.026 0.000 1.163 289 P CA 1.309 64.418 63.100 0.016 0.000 0.883 289 P CB -0.113 31.591 31.700 0.008 0.000 0.788 290 G N -0.280 108.532 108.800 0.020 0.000 2.446 290 G HA2 -0.245 3.723 3.960 0.013 0.000 0.217 290 G HA3 -0.245 3.723 3.960 0.013 0.000 0.217 290 G C 1.552 176.495 174.900 0.072 0.000 1.168 290 G CA 0.634 45.751 45.100 0.029 0.000 0.771 290 G HN 0.205 nan 8.290 nan 0.000 0.551 291 L N 0.637 121.897 121.223 0.061 0.000 2.017 291 L HA -0.104 4.244 4.340 0.013 0.000 0.208 291 L C 3.471 180.424 176.870 0.139 0.000 1.073 291 L CA 1.068 55.977 54.840 0.115 0.000 0.745 291 L CB -0.487 41.610 42.059 0.065 0.000 0.894 291 L HN 0.328 nan 8.230 nan 0.000 0.432 292 A N 0.066 122.934 122.820 0.080 0.000 1.892 292 A HA -0.265 4.063 4.320 0.013 0.000 0.218 292 A C 2.489 180.118 177.584 0.076 0.000 1.188 292 A CA 2.110 54.185 52.037 0.063 0.000 0.631 292 A CB -0.775 18.249 19.000 0.041 0.000 0.822 292 A HN 0.448 nan 8.150 nan 0.000 0.447 293 A N -1.905 120.966 122.820 0.084 0.000 1.930 293 A HA -0.025 4.303 4.320 0.013 0.000 0.217 293 A C 2.125 179.775 177.584 0.111 0.000 1.175 293 A CA 1.601 53.687 52.037 0.080 0.000 0.627 293 A CB -0.735 18.304 19.000 0.066 0.000 0.815 293 A HN 0.723 nan 8.150 nan 0.000 0.443 294 Y N 1.268 121.582 120.300 0.024 0.000 2.114 294 Y HA -0.227 4.331 4.550 0.012 0.000 0.284 294 Y C 2.534 178.470 175.900 0.059 0.000 1.143 294 Y CA 2.440 60.559 58.100 0.031 0.000 1.135 294 Y CB -0.562 37.908 38.460 0.018 0.000 0.980 294 Y HN 0.204 nan 8.280 nan 0.000 0.499 295 V N -0.643 119.262 119.914 -0.015 0.000 2.407 295 V HA -0.241 3.887 4.120 0.013 0.000 0.248 295 V C 2.108 178.202 176.094 0.001 0.000 1.055 295 V CA 2.290 64.564 62.300 -0.043 0.000 1.049 295 V CB -1.126 30.724 31.823 0.045 0.000 0.662 295 V HN 0.570 nan 8.190 nan 0.000 0.455 296 E N 1.613 121.823 120.200 0.016 0.000 2.077 296 E HA -0.114 4.244 4.350 0.013 0.000 0.193 296 E C 2.230 178.845 176.600 0.025 0.000 0.989 296 E CA 1.575 57.990 56.400 0.024 0.000 0.800 296 E CB -0.790 28.961 29.700 0.085 0.000 0.746 296 E HN 0.636 nan 8.360 nan 0.000 0.452 297 G N 1.483 110.283 108.800 -0.000 0.000 2.440 297 G HA2 -0.258 3.709 3.960 0.013 0.000 0.218 297 G HA3 -0.258 3.709 3.960 0.013 0.000 0.218 297 G C 1.599 176.460 174.900 -0.066 0.000 1.154 297 G CA 0.893 46.003 45.100 0.017 0.000 0.767 297 G HN 0.241 nan 8.290 nan 0.000 0.552 298 L N 0.078 121.158 121.223 -0.238 0.000 2.083 298 L HA -0.057 4.291 4.340 0.013 0.000 0.209 298 L C 2.743 179.376 176.870 -0.394 0.000 1.083 298 L CA 1.472 56.140 54.840 -0.286 0.000 0.752 298 L CB -0.414 41.454 42.059 -0.318 0.000 0.899 298 L HN 0.400 nan 8.230 nan 0.000 0.433 299 E N 0.074 119.953 120.200 -0.534 0.000 2.058 299 E HA -0.269 4.089 4.350 0.013 0.000 0.194 299 E C 2.145 178.258 176.600 -0.810 0.000 0.997 299 E CA 1.715 57.531 56.400 -0.974 0.000 0.801 299 E CB -0.193 28.835 29.700 -1.120 0.000 0.746 299 E HN 0.471 nan 8.360 nan 0.000 0.450 300 Y N 0.755 120.845 120.300 -0.351 0.000 2.352 300 Y HA -0.110 4.448 4.550 0.014 0.000 0.292 300 Y C 2.471 178.249 175.900 -0.204 0.000 1.136 300 Y CA 1.178 59.142 58.100 -0.228 0.000 1.227 300 Y CB 0.048 38.425 38.460 -0.138 0.000 0.991 300 Y HN 0.135 nan 8.280 nan 0.000 0.545 301 Q N -0.573 119.174 119.800 -0.087 0.000 2.119 301 Q HA -0.181 4.167 4.340 0.013 0.000 0.201 301 Q C 2.168 178.060 176.000 -0.181 0.000 0.972 301 Q CA 1.378 57.112 55.803 -0.114 0.000 0.847 301 Q CB -0.138 28.599 28.738 -0.002 0.000 0.903 301 Q HN 0.575 nan 8.270 nan 0.000 0.433 302 M N 0.221 119.703 119.600 -0.197 0.000 2.077 302 M HA -0.160 4.328 4.480 0.013 0.000 0.261 302 M C 2.542 178.852 176.300 0.016 0.000 1.070 302 M CA 1.779 56.991 55.300 -0.146 0.000 1.125 302 M CB -0.265 32.072 32.600 -0.438 0.000 1.339 302 M HN 0.193 nan 8.290 nan 0.000 0.409 303 S N 0.166 115.855 115.700 -0.019 0.000 2.368 303 S HA -0.086 4.392 4.470 0.013 0.000 0.225 303 S C 2.068 176.671 174.600 0.006 0.000 1.030 303 S CA 1.239 59.480 58.200 0.068 0.000 0.999 303 S CB -1.547 61.665 63.200 0.020 0.000 0.844 303 S HN 0.547 nan 8.310 nan 0.000 0.459 304 G N 2.439 111.176 108.800 -0.105 0.000 2.446 304 G HA2 -0.329 3.639 3.960 0.013 0.000 0.217 304 G HA3 -0.329 3.639 3.960 0.013 0.000 0.217 304 G C 1.422 176.118 174.900 -0.340 0.000 1.168 304 G CA 1.133 46.096 45.100 -0.229 0.000 0.771 304 G HN 0.644 nan 8.290 nan 0.000 0.551 305 N N 0.364 118.798 118.700 -0.444 0.000 2.223 305 N HA -0.098 4.650 4.740 0.013 0.000 0.185 305 N C 2.018 177.632 175.510 0.173 0.000 1.016 305 N CA 1.697 54.629 53.050 -0.196 0.000 0.863 305 N CB -0.233 38.245 38.487 -0.014 0.000 0.983 305 N HN 0.549 nan 8.380 nan 0.000 0.429 306 E N -0.638 119.648 120.200 0.144 0.000 2.072 306 E HA -0.152 4.206 4.350 0.013 0.000 0.190 306 E C 1.828 178.454 176.600 0.042 0.000 0.982 306 E CA 0.710 57.214 56.400 0.173 0.000 0.803 306 E CB -0.138 29.723 29.700 0.267 0.000 0.755 306 E HN 0.357 nan 8.360 nan 0.000 0.453 307 L N 0.132 121.384 121.223 0.048 0.000 2.056 307 L HA -0.090 4.258 4.340 0.013 0.000 0.207 307 L C 2.001 178.868 176.870 -0.005 0.000 1.078 307 L CA 1.846 56.689 54.840 0.006 0.000 0.749 307 L CB -0.694 41.383 42.059 0.030 0.000 0.901 307 L HN 0.383 nan 8.230 nan 0.000 0.433 308 W N -0.012 121.241 121.300 -0.079 0.000 2.358 308 W HA -0.189 4.479 4.660 0.014 0.000 0.303 308 W C 2.499 178.989 176.519 -0.048 0.000 1.208 308 W CA 1.977 59.306 57.345 -0.026 0.000 1.274 308 W CB -0.463 29.053 29.460 0.093 0.000 1.138 308 W HN 0.118 nan 8.180 nan 0.000 0.515 309 S N 0.235 115.873 115.700 -0.103 0.000 2.399 309 S HA -0.233 4.245 4.470 0.013 0.000 0.231 309 S C 1.594 175.842 174.600 -0.587 0.000 1.022 309 S CA 1.634 59.673 58.200 -0.269 0.000 0.983 309 S CB -0.386 62.896 63.200 0.137 0.000 0.803 309 S HN 0.473 nan 8.310 nan 0.000 0.480 310 Q N 0.171 119.544 119.800 -0.712 0.000 2.311 310 Q HA -0.004 4.344 4.340 0.013 0.000 0.203 310 Q C 1.920 177.729 176.000 -0.319 0.000 0.954 310 Q CA 1.405 56.797 55.803 -0.685 0.000 0.885 310 Q CB 0.024 28.494 28.738 -0.446 0.000 0.963 310 Q HN 0.721 nan 8.270 nan 0.000 0.471 311 T N -4.670 109.688 114.554 -0.327 0.000 3.004 311 T HA 0.089 4.447 4.350 0.013 0.000 0.266 311 T C 0.686 175.194 174.700 -0.320 0.000 0.986 311 T CA -0.184 61.770 62.100 -0.243 0.000 0.902 311 T CB 0.544 69.319 68.868 -0.154 0.000 1.118 311 T HN -0.055 nan 8.240 nan 0.000 0.522 312 T N 1.698 115.899 114.554 -0.589 0.000 2.918 312 T HA 0.406 4.763 4.350 0.013 0.000 0.302 312 T C 0.977 175.429 174.700 -0.414 0.000 1.045 312 T CA -0.551 61.157 62.100 -0.653 0.000 1.114 312 T CB 0.289 68.332 68.868 -1.375 0.000 0.965 312 T HN 0.102 nan 8.240 nan 0.000 0.540 313 L N 3.637 124.694 121.223 -0.276 0.000 2.395 313 L HA 0.263 4.610 4.340 0.013 0.000 0.218 313 L C 2.491 179.275 176.870 -0.143 0.000 1.130 313 L CA 0.733 55.477 54.840 -0.160 0.000 0.826 313 L CB -0.869 41.123 42.059 -0.112 0.000 0.941 313 L HN 0.572 nan 8.230 nan 0.000 0.451 314 R N -0.276 120.073 120.500 -0.252 0.000 2.170 314 R HA -0.210 4.138 4.340 0.013 0.000 0.242 314 R C 0.968 177.232 176.300 -0.061 0.000 1.145 314 R CA 1.750 57.727 56.100 -0.206 0.000 0.984 314 R CB -0.344 29.765 30.300 -0.318 0.000 0.869 314 R HN 0.331 nan 8.270 nan 0.000 0.455 315 Y N -0.872 119.364 120.300 -0.107 0.000 2.531 315 Y HA 0.423 4.982 4.550 0.014 0.000 0.249 315 Y C 0.473 176.344 175.900 -0.047 0.000 1.168 315 Y CA -0.733 57.326 58.100 -0.068 0.000 1.226 315 Y CB -0.363 38.046 38.460 -0.085 0.000 1.177 315 Y HN -0.029 nan 8.280 nan 0.000 0.527 316 S N -0.159 115.590 115.700 0.083 0.000 2.603 316 S HA 0.554 5.031 4.470 0.013 0.000 0.268 316 S C 0.331 174.964 174.600 0.056 0.000 1.317 316 S CA -0.032 58.197 58.200 0.048 0.000 1.012 316 S CB 0.315 63.519 63.200 0.006 0.000 0.926 316 S HN 0.144 nan 8.310 nan 0.000 0.539 317 V N 0.000 119.940 119.914 0.043 0.000 2.409 317 V HA 0.000 4.128 4.120 0.013 0.000 0.244 317 V CA 0.000 62.327 62.300 0.045 0.000 1.235 317 V CB 0.000 31.854 31.823 0.052 0.000 1.184 317 V HN 0.000 nan 8.190 nan 0.000 0.556