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 3gnc_1_B DATA FIRST_RESID 4 DATA SEQUENCE ATFHWDDPLL LDQQLADDER MVRDAAHAYA QGKLAPRVTE AFRHETTDAA DATA SEQUENCE IFREMGEIGL LGPTIPEQYG GPGLDYVSYG LIAREVERVD SGYRSMMSVQ DATA SEQUENCE SSLVMVPIFE FGSDAQKEKY LPKLATGEWI GCFGLTEPXX XXXXXXMVTR DATA SEQUENCE ARKVPGGYSL SGSKMWITNS PIADVFVVWA KLDEXXXDEI RGFILEKGCK DATA SEQUENCE GLSAPAIHGK VGLRASITGE IVLDEAFVPE ENILPHVKGL RGPFTCLNSA DATA SEQUENCE RYGIAWGALG AAESCWHIAR QYVLDRKQFG RPLAANQLIQ KKLADMQTEI DATA SEQUENCE TLGLQGVLRL GRMKDEGTAA VEITSIMKRN SCGKALDIAR LARDMLGXXX DATA SEQUENCE XXXXFGVARH LVNLEVVNTY EGTHDIHALI LGRAQTGIQA 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.658 177.584 0.122 0.000 1.274 4 A CA 0.000 52.088 52.037 0.085 0.000 0.836 4 A CB 0.000 19.040 19.000 0.067 0.000 0.831 5 T N 0.786 115.430 114.554 0.151 0.000 2.771 5 T HA 0.551 4.902 4.350 0.002 0.000 0.291 5 T C -0.747 174.138 174.700 0.309 0.000 0.954 5 T CA -0.303 61.907 62.100 0.183 0.000 1.045 5 T CB -0.126 68.818 68.868 0.126 0.000 0.917 5 T HN 0.494 nan 8.240 nan 0.000 0.484 6 F N 5.260 125.284 119.950 0.123 0.000 2.420 6 F HA 0.374 4.901 4.527 0.001 0.000 0.352 6 F C -0.078 175.807 175.800 0.141 0.000 1.108 6 F CA -0.608 57.494 58.000 0.171 0.000 1.162 6 F CB 0.471 39.548 39.000 0.129 0.000 1.118 6 F HN 0.683 nan 8.300 nan 0.000 0.510 7 H N 7.534 126.217 119.070 -0.644 0.000 2.724 7 H HA 0.067 4.623 4.556 0.001 0.000 0.278 7 H C 0.637 175.382 175.328 -0.972 0.000 1.159 7 H CA -0.895 54.771 56.048 -0.636 0.000 1.254 7 H CB 0.095 29.621 29.762 -0.393 0.000 1.412 7 H HN 0.781 nan 8.280 nan 0.000 0.488 8 W N 3.640 124.482 121.300 -0.763 0.000 2.350 8 W HA -0.168 4.493 4.660 0.001 0.000 0.289 8 W C 0.301 176.810 176.519 -0.017 0.000 1.215 8 W CA 1.361 58.475 57.345 -0.384 0.000 1.236 8 W CB -0.197 29.270 29.460 0.011 0.000 1.130 8 W HN 0.525 nan 8.180 nan 0.000 0.541 9 D N -0.166 119.549 120.400 -1.141 0.000 2.355 9 D HA -0.084 4.557 4.640 0.002 0.000 0.218 9 D C -0.172 175.944 176.300 -0.307 0.000 1.004 9 D CA 0.564 53.940 54.000 -1.039 0.000 0.880 9 D CB -0.490 39.306 40.800 -1.673 0.000 0.911 9 D HN 0.108 nan 8.370 nan 0.000 0.528 10 D N -0.405 119.857 120.400 -0.230 0.000 3.285 10 D HA 0.164 4.805 4.640 0.002 0.000 0.273 10 D C -2.139 174.097 176.300 -0.107 0.000 1.295 10 D CA -1.381 52.551 54.000 -0.113 0.000 0.762 10 D CB 1.114 41.825 40.800 -0.148 0.000 1.379 10 D HN -0.205 nan 8.370 nan 0.000 0.612 11 P HA -0.058 nan 4.420 nan 0.000 0.216 11 P C 1.260 178.597 177.300 0.062 0.000 1.150 11 P CA 0.918 64.034 63.100 0.027 0.000 0.843 11 P CB 0.335 32.173 31.700 0.230 0.000 0.787 12 L N -1.543 119.694 121.223 0.023 0.000 2.653 12 L HA 0.197 4.538 4.340 0.002 0.000 0.231 12 L C 0.325 177.171 176.870 -0.040 0.000 1.153 12 L CA -0.253 54.593 54.840 0.010 0.000 0.933 12 L CB -0.471 41.595 42.059 0.012 0.000 1.175 12 L HN -0.109 nan 8.230 nan 0.000 0.473 13 L N 0.354 121.519 121.223 -0.097 0.000 3.795 13 L HA -0.269 4.072 4.340 0.002 0.000 0.489 13 L C 1.522 178.343 176.870 -0.083 0.000 1.259 13 L CA -0.268 54.483 54.840 -0.148 0.000 0.765 13 L CB -0.987 40.958 42.059 -0.191 0.000 1.519 13 L HN 0.298 nan 8.230 nan 0.000 0.842 14 L N 0.505 121.697 121.223 -0.051 0.000 2.137 14 L HA -0.228 4.113 4.340 0.002 0.000 0.213 14 L C 2.013 178.876 176.870 -0.013 0.000 1.085 14 L CA 2.578 57.411 54.840 -0.011 0.000 0.760 14 L CB -0.278 41.790 42.059 0.015 0.000 0.893 14 L HN 0.494 nan 8.230 nan 0.000 0.434 15 D N -0.697 119.674 120.400 -0.048 0.000 2.116 15 D HA -0.303 4.338 4.640 0.002 0.000 0.193 15 D C 2.097 178.371 176.300 -0.042 0.000 0.998 15 D CA 1.632 55.601 54.000 -0.051 0.000 0.836 15 D CB -0.110 40.638 40.800 -0.087 0.000 0.951 15 D HN 0.646 nan 8.370 nan 0.000 0.449 16 Q N -0.363 119.403 119.800 -0.057 0.000 2.482 16 Q HA -0.065 4.276 4.340 0.002 0.000 0.209 16 Q C 1.061 177.050 176.000 -0.019 0.000 0.961 16 Q CA 0.511 56.288 55.803 -0.043 0.000 0.945 16 Q CB 0.095 28.797 28.738 -0.060 0.000 1.012 16 Q HN 0.373 nan 8.270 nan 0.000 0.515 17 Q N 0.032 119.828 119.800 -0.006 0.000 2.282 17 Q HA 0.287 4.628 4.340 0.002 0.000 0.206 17 Q C -0.397 175.622 176.000 0.031 0.000 0.878 17 Q CA -0.113 55.699 55.803 0.014 0.000 0.944 17 Q CB 0.851 29.602 28.738 0.022 0.000 1.100 17 Q HN 0.297 nan 8.270 nan 0.000 0.509 18 L N 0.464 121.701 121.223 0.024 0.000 2.331 18 L HA 0.618 4.959 4.340 0.002 0.000 0.275 18 L C -0.024 176.854 176.870 0.014 0.000 1.022 18 L CA -1.089 53.770 54.840 0.030 0.000 0.812 18 L CB 1.345 43.422 42.059 0.029 0.000 1.257 18 L HN -0.005 nan 8.230 nan 0.000 0.435 19 A N 1.073 123.902 122.820 0.015 0.000 2.346 19 A HA 0.124 4.445 4.320 0.002 0.000 0.252 19 A C 0.649 178.232 177.584 -0.003 0.000 1.089 19 A CA -0.294 51.747 52.037 0.006 0.000 0.797 19 A CB 0.201 19.205 19.000 0.007 0.000 1.047 19 A HN 0.853 nan 8.150 nan 0.000 0.494 20 D N 0.078 120.475 120.400 -0.006 0.000 2.084 20 D HA -0.158 4.483 4.640 0.002 0.000 0.194 20 D C 1.333 177.625 176.300 -0.014 0.000 0.990 20 D CA 1.521 55.515 54.000 -0.011 0.000 0.826 20 D CB -0.277 40.516 40.800 -0.011 0.000 0.971 20 D HN 0.706 nan 8.370 nan 0.000 0.453 21 D N 0.920 121.312 120.400 -0.014 0.000 2.412 21 D HA -0.250 4.391 4.640 0.002 0.000 0.191 21 D C 1.742 178.029 176.300 -0.022 0.000 1.019 21 D CA 1.691 55.680 54.000 -0.018 0.000 0.866 21 D CB -0.010 40.781 40.800 -0.016 0.000 0.966 21 D HN 0.347 nan 8.370 nan 0.000 0.459 22 E N -0.532 119.657 120.200 -0.018 0.000 2.107 22 E HA -0.078 4.273 4.350 0.002 0.000 0.191 22 E C 2.495 179.079 176.600 -0.027 0.000 0.982 22 E CA 0.471 56.855 56.400 -0.026 0.000 0.809 22 E CB 0.010 29.701 29.700 -0.015 0.000 0.756 22 E HN 0.216 nan 8.360 nan 0.000 0.459 23 R N 0.469 120.957 120.500 -0.019 0.000 2.120 23 R HA -0.080 4.261 4.340 0.002 0.000 0.234 23 R C 2.396 178.683 176.300 -0.021 0.000 1.123 23 R CA 1.357 57.444 56.100 -0.021 0.000 0.975 23 R CB -0.236 30.052 30.300 -0.021 0.000 0.866 23 R HN 0.241 nan 8.270 nan 0.000 0.446 24 M N 0.365 119.954 119.600 -0.019 0.000 2.067 24 M HA -0.173 4.309 4.480 0.002 0.000 0.260 24 M C 1.802 178.095 176.300 -0.013 0.000 1.069 24 M CA 1.767 57.057 55.300 -0.015 0.000 1.117 24 M CB -0.030 32.560 32.600 -0.017 0.000 1.334 24 M HN -0.002 nan 8.290 nan 0.000 0.407 25 V N 1.005 120.906 119.914 -0.021 0.000 2.332 25 V HA -0.298 3.823 4.120 0.002 0.000 0.248 25 V C 2.658 178.745 176.094 -0.012 0.000 1.055 25 V CA 2.408 64.694 62.300 -0.024 0.000 1.038 25 V CB -1.103 30.696 31.823 -0.041 0.000 0.651 25 V HN 0.583 nan 8.190 nan 0.000 0.450 26 R N 0.222 120.710 120.500 -0.019 0.000 2.080 26 R HA -0.217 4.124 4.340 0.002 0.000 0.236 26 R C 2.026 178.350 176.300 0.039 0.000 1.137 26 R CA 2.371 58.469 56.100 -0.004 0.000 0.943 26 R CB -0.491 29.799 30.300 -0.018 0.000 0.846 26 R HN 0.497 nan 8.270 nan 0.000 0.431 27 D N 0.107 120.519 120.400 0.019 0.000 2.219 27 D HA -0.090 4.551 4.640 0.002 0.000 0.205 27 D C 1.644 177.998 176.300 0.091 0.000 0.970 27 D CA 1.226 55.251 54.000 0.041 0.000 0.851 27 D CB -0.133 40.665 40.800 -0.005 0.000 0.943 27 D HN 0.421 nan 8.370 nan 0.000 0.488 28 A N 0.986 123.841 122.820 0.059 0.000 1.898 28 A HA 0.029 4.350 4.320 0.002 0.000 0.216 28 A C 2.302 179.944 177.584 0.098 0.000 1.181 28 A CA 1.855 53.928 52.037 0.061 0.000 0.620 28 A CB -0.542 18.471 19.000 0.022 0.000 0.819 28 A HN 0.228 nan 8.150 nan 0.000 0.442 29 A N -1.138 121.740 122.820 0.096 0.000 1.929 29 A HA -0.091 4.230 4.320 0.002 0.000 0.216 29 A C 1.956 179.631 177.584 0.152 0.000 1.176 29 A CA 1.876 53.989 52.037 0.126 0.000 0.628 29 A CB -0.841 18.209 19.000 0.083 0.000 0.816 29 A HN 0.745 nan 8.150 nan 0.000 0.444 30 H N 0.156 119.255 119.070 0.049 0.000 2.319 30 H HA -0.058 4.500 4.556 0.002 0.000 0.299 30 H C 2.139 177.482 175.328 0.024 0.000 1.092 30 H CA 2.203 58.270 56.048 0.032 0.000 1.302 30 H CB -0.150 29.624 29.762 0.019 0.000 1.373 30 H HN 0.398 nan 8.280 nan 0.000 0.497 31 A N -0.499 122.383 122.820 0.104 0.000 1.929 31 A HA -0.150 4.171 4.320 0.002 0.000 0.216 31 A C 2.329 179.917 177.584 0.006 0.000 1.176 31 A CA 1.328 53.390 52.037 0.041 0.000 0.628 31 A CB -1.254 17.801 19.000 0.091 0.000 0.816 31 A HN 0.713 nan 8.150 nan 0.000 0.444 32 Y N 0.535 120.803 120.300 -0.053 0.000 2.114 32 Y HA -0.119 4.432 4.550 0.002 0.000 0.284 32 Y C 2.637 178.473 175.900 -0.106 0.000 1.143 32 Y CA 1.661 59.717 58.100 -0.073 0.000 1.135 32 Y CB -0.327 38.094 38.460 -0.064 0.000 0.980 32 Y HN 0.316 nan 8.280 nan 0.000 0.499 33 A N 0.224 122.864 122.820 -0.300 0.000 1.877 33 A HA -0.208 4.113 4.320 0.002 0.000 0.216 33 A C 2.052 179.423 177.584 -0.354 0.000 1.186 33 A CA 1.782 53.590 52.037 -0.382 0.000 0.620 33 A CB -0.667 18.244 19.000 -0.147 0.000 0.822 33 A HN 0.560 nan 8.150 nan 0.000 0.443 34 Q N -0.615 118.988 119.800 -0.329 0.000 2.172 34 Q HA -0.068 4.273 4.340 0.002 0.000 0.200 34 Q C 2.121 177.995 176.000 -0.211 0.000 0.964 34 Q CA 1.519 57.154 55.803 -0.281 0.000 0.855 34 Q CB -0.731 27.778 28.738 -0.383 0.000 0.918 34 Q HN 0.656 nan 8.270 nan 0.000 0.444 35 G N 0.524 109.195 108.800 -0.216 0.000 2.411 35 G HA2 -0.124 3.837 3.960 0.002 0.000 0.213 35 G HA3 -0.124 3.837 3.960 0.002 0.000 0.213 35 G C 1.541 176.325 174.900 -0.194 0.000 1.166 35 G CA 0.153 45.160 45.100 -0.155 0.000 0.802 35 G HN 0.122 nan 8.290 nan 0.000 0.533 36 K N -0.264 119.927 120.400 -0.347 0.000 2.335 36 K HA 0.363 4.684 4.320 0.002 0.000 0.195 36 K C 2.265 178.610 176.600 -0.425 0.000 1.058 36 K CA 0.070 56.133 56.287 -0.374 0.000 0.988 36 K CB 0.260 32.496 32.500 -0.440 0.000 0.880 36 K HN 0.294 nan 8.250 nan 0.000 0.513 37 L N 0.198 121.106 121.223 -0.525 0.000 2.286 37 L HA 0.157 4.498 4.340 0.002 0.000 0.203 37 L C 2.443 179.223 176.870 -0.151 0.000 1.068 37 L CA 0.644 55.216 54.840 -0.446 0.000 0.811 37 L CB -0.491 41.211 42.059 -0.595 0.000 0.989 37 L HN -0.041 nan 8.230 nan 0.000 0.467 38 A N 1.088 123.829 122.820 -0.131 0.000 1.908 38 A HA -0.132 4.189 4.320 0.002 0.000 0.218 38 A C -0.135 177.434 177.584 -0.026 0.000 1.181 38 A CA 1.790 53.798 52.037 -0.048 0.000 0.627 38 A CB -1.797 17.162 19.000 -0.067 0.000 0.818 38 A HN 0.284 nan 8.150 nan 0.000 0.445 39 P HA -0.043 nan 4.420 nan 0.000 0.223 39 P C 1.403 178.707 177.300 0.008 0.000 1.151 39 P CA 0.875 63.961 63.100 -0.022 0.000 0.787 39 P CB 0.004 31.681 31.700 -0.038 0.000 0.788 40 R N -1.101 119.409 120.500 0.018 0.000 2.189 40 R HA 0.062 4.403 4.340 0.002 0.000 0.203 40 R C 2.102 178.488 176.300 0.145 0.000 1.012 40 R CA 0.282 56.428 56.100 0.075 0.000 1.015 40 R CB -0.898 29.439 30.300 0.062 0.000 0.938 40 R HN 0.045 nan 8.270 nan 0.000 0.472 41 V N 0.902 120.916 119.914 0.168 0.000 2.343 41 V HA -0.249 3.872 4.120 0.002 0.000 0.247 41 V C 1.696 177.846 176.094 0.094 0.000 1.051 41 V CA 2.270 64.675 62.300 0.176 0.000 1.036 41 V CB -0.204 31.696 31.823 0.127 0.000 0.654 41 V HN 0.359 nan 8.190 nan 0.000 0.451 42 T N -0.165 114.421 114.554 0.053 0.000 2.708 42 T HA -0.156 4.195 4.350 0.002 0.000 0.266 42 T C 1.835 176.577 174.700 0.071 0.000 1.037 42 T CA 1.701 63.819 62.100 0.031 0.000 1.146 42 T CB -0.258 68.613 68.868 0.005 0.000 0.865 42 T HN 0.501 nan 8.240 nan 0.000 0.435 43 E N 1.093 121.342 120.200 0.082 0.000 2.072 43 E HA 0.052 4.403 4.350 0.002 0.000 0.190 43 E C 2.583 179.263 176.600 0.132 0.000 0.982 43 E CA 1.011 57.473 56.400 0.104 0.000 0.803 43 E CB -0.562 29.232 29.700 0.156 0.000 0.755 43 E HN 0.485 nan 8.360 nan 0.000 0.453 44 A N 0.774 123.683 122.820 0.148 0.000 1.908 44 A HA -0.185 4.136 4.320 0.002 0.000 0.218 44 A C 2.108 179.750 177.584 0.097 0.000 1.181 44 A CA 1.303 53.427 52.037 0.146 0.000 0.627 44 A CB -0.799 18.309 19.000 0.181 0.000 0.818 44 A HN 0.280 nan 8.150 nan 0.000 0.445 45 F N 0.226 120.147 119.950 -0.047 0.000 2.084 45 F HA -0.123 4.405 4.527 0.002 0.000 0.296 45 F C 2.384 178.138 175.800 -0.078 0.000 1.111 45 F CA 2.030 59.981 58.000 -0.081 0.000 1.224 45 F CB -0.315 38.616 39.000 -0.114 0.000 0.991 45 F HN 0.186 nan 8.300 nan 0.000 0.471 46 R N -0.597 119.953 120.500 0.083 0.000 2.112 46 R HA -0.254 4.087 4.340 0.002 0.000 0.242 46 R C 1.573 177.697 176.300 -0.294 0.000 1.137 46 R CA 2.545 58.549 56.100 -0.161 0.000 0.944 46 R CB -0.688 29.390 30.300 -0.369 0.000 0.857 46 R HN 0.500 nan 8.270 nan 0.000 0.435 47 H N -1.238 117.834 119.070 0.004 0.000 2.586 47 H HA 0.171 4.728 4.556 0.002 0.000 0.273 47 H C -0.302 175.018 175.328 -0.013 0.000 0.997 47 H CA 0.212 56.256 56.048 -0.006 0.000 1.177 47 H CB 0.611 30.382 29.762 0.015 0.000 1.471 47 H HN 0.313 nan 8.280 nan 0.000 0.538 48 E N 1.894 122.107 120.200 0.022 0.000 2.297 48 E HA -0.183 4.168 4.350 0.002 0.000 0.228 48 E C -0.431 176.242 176.600 0.121 0.000 1.213 48 E CA 0.450 56.864 56.400 0.024 0.000 0.712 48 E CB -0.718 29.014 29.700 0.053 0.000 1.202 48 E HN 0.533 nan 8.360 nan 0.000 0.376 49 T N -1.756 112.874 114.554 0.126 0.000 2.889 49 T HA 0.373 4.724 4.350 0.002 0.000 0.291 49 T C 0.244 175.030 174.700 0.145 0.000 0.995 49 T CA -0.125 62.058 62.100 0.139 0.000 1.092 49 T CB 1.873 70.823 68.868 0.137 0.000 0.954 49 T HN 0.132 nan 8.240 nan 0.000 0.506 50 T N 1.946 116.589 114.554 0.149 0.000 2.889 50 T HA 0.378 4.729 4.350 0.002 0.000 0.291 50 T C -0.986 173.806 174.700 0.154 0.000 0.995 50 T CA -0.413 61.782 62.100 0.159 0.000 1.092 50 T CB 0.447 69.409 68.868 0.157 0.000 0.954 50 T HN 0.836 nan 8.240 nan 0.000 0.506 51 D N 2.743 123.249 120.400 0.177 0.000 2.411 51 D HA 0.401 5.042 4.640 0.002 0.000 0.239 51 D C 0.596 177.009 176.300 0.189 0.000 1.307 51 D CA -0.401 53.693 54.000 0.156 0.000 0.930 51 D CB 0.391 41.268 40.800 0.129 0.000 1.395 51 D HN 0.514 nan 8.370 nan 0.000 0.536 52 A N 2.265 125.223 122.820 0.231 0.000 2.172 52 A HA 0.183 4.504 4.320 0.002 0.000 0.216 52 A C 2.135 179.905 177.584 0.311 0.000 1.154 52 A CA 1.375 53.632 52.037 0.366 0.000 0.701 52 A CB -0.221 18.940 19.000 0.268 0.000 0.789 52 A HN 0.571 nan 8.150 nan 0.000 0.465 53 A N 0.380 123.305 122.820 0.175 0.000 2.032 53 A HA -0.153 4.168 4.320 0.002 0.000 0.221 53 A C 1.936 179.581 177.584 0.101 0.000 1.165 53 A CA 1.566 53.679 52.037 0.126 0.000 0.645 53 A CB -0.628 18.422 19.000 0.084 0.000 0.807 53 A HN 0.534 nan 8.150 nan 0.000 0.453 54 I N -1.669 118.930 120.570 0.049 0.000 2.264 54 I HA -0.286 3.885 4.170 0.002 0.000 0.248 54 I C 2.121 178.165 176.117 -0.121 0.000 1.111 54 I CA 1.356 62.618 61.300 -0.064 0.000 1.382 54 I CB -0.414 37.453 38.000 -0.221 0.000 1.060 54 I HN 0.334 nan 8.210 nan 0.000 0.418 55 F N 0.332 120.309 119.950 0.045 0.000 2.134 55 F HA -0.177 4.351 4.527 0.002 0.000 0.299 55 F C 2.694 178.489 175.800 -0.009 0.000 1.097 55 F CA 1.415 59.430 58.000 0.024 0.000 1.264 55 F CB -0.524 38.503 39.000 0.045 0.000 1.001 55 F HN -0.084 nan 8.300 nan 0.000 0.479 56 R N 0.660 121.259 120.500 0.164 0.000 2.090 56 R HA -0.118 4.223 4.340 0.002 0.000 0.228 56 R C 1.933 178.224 176.300 -0.016 0.000 1.110 56 R CA 1.405 57.545 56.100 0.067 0.000 0.973 56 R CB -0.162 30.177 30.300 0.066 0.000 0.869 56 R HN 0.346 nan 8.270 nan 0.000 0.440 57 E N -0.092 120.087 120.200 -0.035 0.000 2.106 57 E HA -0.166 4.185 4.350 0.002 0.000 0.192 57 E C 2.039 178.393 176.600 -0.410 0.000 0.984 57 E CA 1.294 57.617 56.400 -0.128 0.000 0.806 57 E CB -0.003 29.721 29.700 0.040 0.000 0.750 57 E HN 0.355 nan 8.360 nan 0.000 0.458 58 M N 0.196 119.548 119.600 -0.414 0.000 2.200 58 M HA -0.024 4.457 4.480 0.002 0.000 0.265 58 M C 2.456 178.608 176.300 -0.247 0.000 1.066 58 M CA 1.281 56.296 55.300 -0.475 0.000 1.127 58 M CB -0.316 32.107 32.600 -0.295 0.000 1.379 58 M HN 0.199 nan 8.290 nan 0.000 0.420 59 G N 0.250 108.975 108.800 -0.124 0.000 2.446 59 G HA2 -0.270 3.691 3.960 0.002 0.000 0.217 59 G HA3 -0.270 3.691 3.960 0.002 0.000 0.217 59 G C 1.299 176.140 174.900 -0.097 0.000 1.168 59 G CA 1.166 46.223 45.100 -0.072 0.000 0.771 59 G HN 0.512 nan 8.290 nan 0.000 0.551 60 E N 0.449 120.584 120.200 -0.109 0.000 2.048 60 E HA -0.182 4.169 4.350 0.002 0.000 0.202 60 E C 2.419 178.952 176.600 -0.113 0.000 1.021 60 E CA 1.551 57.892 56.400 -0.099 0.000 0.825 60 E CB -0.274 29.370 29.700 -0.092 0.000 0.756 60 E HN 0.594 nan 8.360 nan 0.000 0.454 61 I N -2.633 117.838 120.570 -0.166 0.000 3.550 61 I HA 0.207 4.378 4.170 0.002 0.000 0.295 61 I C 1.082 177.122 176.117 -0.128 0.000 1.291 61 I CA 0.815 62.027 61.300 -0.147 0.000 1.298 61 I CB -0.592 37.300 38.000 -0.179 0.000 1.026 61 I HN 0.295 nan 8.210 nan 0.000 0.491 62 G N 2.400 111.126 108.800 -0.124 0.000 2.198 62 G HA2 -0.251 3.710 3.960 0.002 0.000 0.257 62 G HA3 -0.251 3.710 3.960 0.002 0.000 0.257 62 G C 0.454 175.295 174.900 -0.098 0.000 1.042 62 G CA 0.355 45.396 45.100 -0.099 0.000 0.791 62 G HN 0.507 nan 8.290 nan 0.000 0.502 63 L N -0.803 120.352 121.223 -0.113 0.000 2.567 63 L HA 0.332 4.673 4.340 0.002 0.000 0.225 63 L C 1.374 178.208 176.870 -0.059 0.000 1.119 63 L CA 0.134 54.923 54.840 -0.084 0.000 0.871 63 L CB -0.026 41.971 42.059 -0.103 0.000 1.036 63 L HN 0.238 nan 8.230 nan 0.000 0.459 64 L N 0.413 121.599 121.223 -0.061 0.000 2.292 64 L HA 0.394 4.735 4.340 0.002 0.000 0.284 64 L C 0.990 177.810 176.870 -0.084 0.000 1.065 64 L CA -0.340 54.478 54.840 -0.036 0.000 0.806 64 L CB 1.005 43.073 42.059 0.014 0.000 1.175 64 L HN 0.206 nan 8.230 nan 0.000 0.431 65 G N 3.832 112.555 108.800 -0.127 0.000 2.386 65 G HA2 -0.186 3.775 3.960 0.002 0.000 0.295 65 G HA3 -0.186 3.775 3.960 0.002 0.000 0.295 65 G C -1.461 173.288 174.900 -0.251 0.000 0.979 65 G CA -0.251 44.723 45.100 -0.211 0.000 1.193 65 G HN 0.614 nan 8.290 nan 0.000 0.508 66 P HA -0.103 nan 4.420 nan 0.000 0.220 66 P C 1.789 178.931 177.300 -0.262 0.000 1.148 66 P CA 1.927 64.895 63.100 -0.221 0.000 0.803 66 P CB -0.079 31.532 31.700 -0.148 0.000 0.782 67 T N -4.038 110.295 114.554 -0.368 0.000 3.107 67 T HA 0.118 4.469 4.350 0.002 0.000 0.249 67 T C 0.957 175.415 174.700 -0.404 0.000 1.096 67 T CA -0.203 61.655 62.100 -0.404 0.000 1.012 67 T CB -0.459 68.075 68.868 -0.558 0.000 0.977 67 T HN -0.168 nan 8.240 nan 0.000 0.527 68 I N 3.365 123.699 120.570 -0.393 0.000 2.496 68 I HA 0.316 4.487 4.170 0.002 0.000 0.285 68 I C -2.278 173.638 176.117 -0.336 0.000 1.080 68 I CA -3.235 57.770 61.300 -0.492 0.000 1.404 68 I CB 0.310 38.078 38.000 -0.386 0.000 1.403 68 I HN -0.015 nan 8.210 nan 0.000 0.539 69 P HA 0.018 nan 4.420 nan 0.000 0.266 69 P C 0.714 177.959 177.300 -0.093 0.000 1.193 69 P CA 0.074 63.086 63.100 -0.147 0.000 0.770 69 P CB 0.605 32.287 31.700 -0.029 0.000 0.836 70 E N 1.247 121.390 120.200 -0.095 0.000 2.118 70 E HA -0.293 4.058 4.350 0.002 0.000 0.195 70 E C 1.810 178.338 176.600 -0.120 0.000 0.992 70 E CA 1.020 57.365 56.400 -0.093 0.000 0.804 70 E CB -0.182 29.468 29.700 -0.084 0.000 0.741 70 E HN 0.580 nan 8.360 nan 0.000 0.458 71 Q N -0.123 119.569 119.800 -0.181 0.000 2.197 71 Q HA -0.235 4.106 4.340 0.002 0.000 0.211 71 Q C 0.751 176.450 176.000 -0.501 0.000 0.993 71 Q CA 1.677 57.260 55.803 -0.367 0.000 0.883 71 Q CB -0.016 28.419 28.738 -0.504 0.000 0.916 71 Q HN 0.423 nan 8.270 nan 0.000 0.418 72 Y N -2.273 118.008 120.300 -0.032 0.000 2.531 72 Y HA 0.344 4.895 4.550 0.002 0.000 0.249 72 Y C 1.227 177.099 175.900 -0.048 0.000 1.168 72 Y CA 0.284 58.372 58.100 -0.020 0.000 1.226 72 Y CB 1.355 39.822 38.460 0.011 0.000 1.177 72 Y HN 0.239 nan 8.280 nan 0.000 0.527 73 G N -0.606 108.207 108.800 0.021 0.000 2.201 73 G HA2 -0.197 3.765 3.960 0.002 0.000 0.212 73 G HA3 -0.197 3.765 3.960 0.002 0.000 0.212 73 G C 0.737 175.613 174.900 -0.040 0.000 0.994 73 G CA -0.328 44.763 45.100 -0.016 0.000 0.644 73 G HN 0.683 nan 8.290 nan 0.000 0.508 74 G N 0.339 109.108 108.800 -0.052 0.000 2.572 74 G HA2 0.569 4.530 3.960 0.002 0.000 0.261 74 G HA3 0.569 4.530 3.960 0.002 0.000 0.261 74 G C -0.633 174.206 174.900 -0.102 0.000 1.197 74 G CA -0.256 44.786 45.100 -0.097 0.000 0.870 74 G HN 0.123 nan 8.290 nan 0.000 0.548 75 P HA 0.079 nan 4.420 nan 0.000 0.249 75 P C 1.055 178.290 177.300 -0.107 0.000 1.229 75 P CA 0.739 63.780 63.100 -0.099 0.000 0.788 75 P CB 0.330 31.974 31.700 -0.093 0.000 1.072 76 G N 0.564 109.283 108.800 -0.135 0.000 2.323 76 G HA2 -0.258 3.703 3.960 0.002 0.000 0.292 76 G HA3 -0.258 3.703 3.960 0.002 0.000 0.292 76 G C -0.013 174.809 174.900 -0.130 0.000 1.040 76 G CA 0.026 45.043 45.100 -0.137 0.000 0.942 76 G HN 0.297 nan 8.290 nan 0.000 0.506 77 L N -0.397 120.738 121.223 -0.146 0.000 2.469 77 L HA 0.616 4.957 4.340 0.002 0.000 0.253 77 L C 0.867 177.639 176.870 -0.163 0.000 1.143 77 L CA -0.831 53.935 54.840 -0.125 0.000 0.804 77 L CB 0.405 42.402 42.059 -0.103 0.000 1.214 77 L HN 0.388 nan 8.230 nan 0.000 0.476 78 D N -2.071 118.258 120.400 -0.117 0.000 2.437 78 D HA 0.086 4.727 4.640 0.002 0.000 0.259 78 D C 0.560 176.812 176.300 -0.080 0.000 1.118 78 D CA -0.326 53.600 54.000 -0.122 0.000 1.017 78 D CB 0.487 41.273 40.800 -0.024 0.000 1.120 78 D HN 0.350 nan 8.370 nan 0.000 0.541 79 Y N -0.236 120.088 120.300 0.040 0.000 2.224 79 Y HA -0.122 4.429 4.550 0.002 0.000 0.289 79 Y C 2.410 178.417 175.900 0.179 0.000 1.146 79 Y CA 0.990 59.154 58.100 0.108 0.000 1.182 79 Y CB -0.448 37.972 38.460 -0.067 0.000 0.983 79 Y HN 0.202 nan 8.280 nan 0.000 0.524 80 V N -1.292 118.766 119.914 0.239 0.000 2.407 80 V HA -0.292 3.829 4.120 0.002 0.000 0.248 80 V C 2.233 178.212 176.094 -0.191 0.000 1.055 80 V CA 2.095 64.443 62.300 0.079 0.000 1.049 80 V CB -0.768 31.127 31.823 0.121 0.000 0.662 80 V HN 0.335 nan 8.190 nan 0.000 0.455 81 S N -1.550 114.101 115.700 -0.080 0.000 2.368 81 S HA -0.187 4.284 4.470 0.002 0.000 0.224 81 S C 1.799 176.335 174.600 -0.106 0.000 1.029 81 S CA 1.501 59.633 58.200 -0.114 0.000 0.988 81 S CB -0.448 62.715 63.200 -0.062 0.000 0.838 81 S HN 0.732 nan 8.310 nan 0.000 0.462 82 Y N 2.142 122.341 120.300 -0.168 0.000 2.114 82 Y HA -0.239 4.312 4.550 0.002 0.000 0.282 82 Y C 2.447 178.157 175.900 -0.316 0.000 1.165 82 Y CA 1.132 59.150 58.100 -0.137 0.000 1.148 82 Y CB -0.679 37.801 38.460 0.034 0.000 0.972 82 Y HN 0.331 nan 8.280 nan 0.000 0.504 83 G N 0.649 108.990 108.800 -0.764 0.000 2.433 83 G HA2 -0.276 3.685 3.960 0.002 0.000 0.216 83 G HA3 -0.276 3.685 3.960 0.002 0.000 0.216 83 G C 1.562 175.705 174.900 -1.262 0.000 1.186 83 G CA 1.231 45.255 45.100 -1.794 0.000 0.779 83 G HN 0.440 nan 8.290 nan 0.000 0.543 84 L N 0.117 120.698 121.223 -1.070 0.000 2.079 84 L HA -0.088 4.253 4.340 0.002 0.000 0.210 84 L C 2.859 179.608 176.870 -0.201 0.000 1.081 84 L CA 0.684 55.236 54.840 -0.479 0.000 0.752 84 L CB -0.346 41.527 42.059 -0.311 0.000 0.896 84 L HN 0.238 nan 8.230 nan 0.000 0.433 85 I N -0.387 120.073 120.570 -0.183 0.000 2.163 85 I HA -0.276 3.896 4.170 0.002 0.000 0.240 85 I C 2.839 178.939 176.117 -0.028 0.000 1.081 85 I CA 1.156 62.427 61.300 -0.050 0.000 1.353 85 I CB -0.506 37.500 38.000 0.011 0.000 1.054 85 I HN 0.191 nan 8.210 nan 0.000 0.407 86 A N 0.960 123.720 122.820 -0.100 0.000 1.892 86 A HA -0.305 4.016 4.320 0.002 0.000 0.218 86 A C 2.427 180.016 177.584 0.007 0.000 1.188 86 A CA 2.297 54.294 52.037 -0.066 0.000 0.631 86 A CB -0.824 18.051 19.000 -0.207 0.000 0.822 86 A HN 0.417 nan 8.150 nan 0.000 0.447 87 R N -0.715 119.804 120.500 0.031 0.000 2.105 87 R HA -0.166 4.175 4.340 0.002 0.000 0.239 87 R C 1.837 178.196 176.300 0.098 0.000 1.135 87 R CA 1.727 57.893 56.100 0.109 0.000 0.967 87 R CB -0.195 30.238 30.300 0.223 0.000 0.861 87 R HN 0.457 nan 8.270 nan 0.000 0.442 88 E N 0.114 120.366 120.200 0.088 0.000 2.072 88 E HA -0.103 4.248 4.350 0.002 0.000 0.190 88 E C 2.102 178.759 176.600 0.094 0.000 0.982 88 E CA 1.142 57.610 56.400 0.114 0.000 0.803 88 E CB -0.197 29.578 29.700 0.125 0.000 0.755 88 E HN 0.224 nan 8.360 nan 0.000 0.453 89 V N 1.129 121.097 119.914 0.089 0.000 2.307 89 V HA -0.219 3.902 4.120 0.002 0.000 0.245 89 V C 2.399 178.567 176.094 0.124 0.000 1.045 89 V CA 1.981 64.342 62.300 0.101 0.000 1.024 89 V CB -0.439 31.451 31.823 0.112 0.000 0.651 89 V HN 0.238 nan 8.190 nan 0.000 0.449 90 E N 0.190 120.456 120.200 0.110 0.000 2.268 90 E HA -0.214 4.137 4.350 0.002 0.000 0.195 90 E C 2.363 179.064 176.600 0.168 0.000 0.995 90 E CA 0.633 57.107 56.400 0.122 0.000 0.836 90 E CB -0.138 29.611 29.700 0.081 0.000 0.763 90 E HN 0.428 nan 8.360 nan 0.000 0.491 91 R N -0.119 120.462 120.500 0.134 0.000 2.139 91 R HA -0.164 4.177 4.340 0.002 0.000 0.243 91 R C 1.727 178.162 176.300 0.225 0.000 1.145 91 R CA 1.535 57.716 56.100 0.134 0.000 0.976 91 R CB 0.024 30.394 30.300 0.118 0.000 0.866 91 R HN 0.140 nan 8.270 nan 0.000 0.449 92 V N -0.634 119.390 119.914 0.182 0.000 2.341 92 V HA 0.000 4.121 4.120 0.002 0.000 0.240 92 V C 0.381 176.525 176.094 0.082 0.000 1.035 92 V CA 1.496 63.883 62.300 0.145 0.000 1.033 92 V CB -0.170 31.713 31.823 0.101 0.000 0.678 92 V HN 0.362 nan 8.190 nan 0.000 0.464 93 D N -2.674 117.792 120.400 0.109 0.000 2.937 93 D HA 0.292 4.933 4.640 0.002 0.000 0.215 93 D C 0.526 176.833 176.300 0.012 0.000 1.274 93 D CA -0.007 53.957 54.000 -0.059 0.000 0.869 93 D CB 1.928 42.589 40.800 -0.233 0.000 1.675 93 D HN -0.086 nan 8.370 nan 0.000 0.538 94 S N 1.394 117.096 115.700 0.003 0.000 2.399 94 S HA -0.047 4.424 4.470 0.002 0.000 0.231 94 S C 2.008 176.598 174.600 -0.018 0.000 1.022 94 S CA 1.115 59.327 58.200 0.019 0.000 0.983 94 S CB -0.209 63.004 63.200 0.023 0.000 0.803 94 S HN 0.665 nan 8.310 nan 0.000 0.480 95 G N 0.296 109.042 108.800 -0.090 0.000 2.469 95 G HA2 -0.234 3.727 3.960 0.002 0.000 0.219 95 G HA3 -0.234 3.727 3.960 0.002 0.000 0.219 95 G C 1.125 175.991 174.900 -0.056 0.000 1.150 95 G CA 0.803 45.832 45.100 -0.118 0.000 0.763 95 G HN 0.586 nan 8.290 nan 0.000 0.561 96 Y N -0.079 120.226 120.300 0.008 0.000 2.200 96 Y HA -0.028 4.523 4.550 0.002 0.000 0.290 96 Y C 3.079 178.971 175.900 -0.013 0.000 1.137 96 Y CA 0.826 58.914 58.100 -0.020 0.000 1.163 96 Y CB -0.068 38.377 38.460 -0.025 0.000 0.988 96 Y HN 0.009 nan 8.280 nan 0.000 0.518 97 R N 0.551 121.147 120.500 0.159 0.000 2.091 97 R HA -0.184 4.157 4.340 0.002 0.000 0.238 97 R C 2.456 178.799 176.300 0.071 0.000 1.136 97 R CA 1.681 57.840 56.100 0.098 0.000 0.959 97 R CB -0.746 29.596 30.300 0.069 0.000 0.856 97 R HN 0.270 nan 8.270 nan 0.000 0.437 98 S N 0.217 115.944 115.700 0.045 0.000 2.368 98 S HA -0.149 4.322 4.470 0.002 0.000 0.225 98 S C 2.166 176.812 174.600 0.077 0.000 1.030 98 S CA 1.550 59.764 58.200 0.023 0.000 0.999 98 S CB -0.097 63.089 63.200 -0.022 0.000 0.844 98 S HN 0.350 nan 8.310 nan 0.000 0.459 99 M N 0.576 120.242 119.600 0.110 0.000 2.082 99 M HA -0.143 4.338 4.480 0.002 0.000 0.258 99 M C 2.455 178.871 176.300 0.193 0.000 1.069 99 M CA 2.061 57.469 55.300 0.180 0.000 1.102 99 M CB -0.386 32.256 32.600 0.070 0.000 1.336 99 M HN 0.446 nan 8.290 nan 0.000 0.404 100 M N -0.535 119.126 119.600 0.102 0.000 2.175 100 M HA -0.175 4.306 4.480 0.002 0.000 0.264 100 M C 1.987 178.373 176.300 0.143 0.000 1.063 100 M CA 1.603 56.972 55.300 0.114 0.000 1.119 100 M CB -0.071 32.582 32.600 0.088 0.000 1.377 100 M HN 0.180 nan 8.290 nan 0.000 0.415 101 S N 0.126 115.903 115.700 0.128 0.000 2.382 101 S HA -0.117 4.354 4.470 0.002 0.000 0.228 101 S C 1.803 176.456 174.600 0.088 0.000 1.027 101 S CA 1.395 59.672 58.200 0.129 0.000 0.991 101 S CB -0.393 62.847 63.200 0.067 0.000 0.823 101 S HN 0.402 nan 8.310 nan 0.000 0.469 102 V N 1.920 121.889 119.914 0.093 0.000 2.270 102 V HA -0.162 3.959 4.120 0.002 0.000 0.245 102 V C 2.693 178.842 176.094 0.091 0.000 1.043 102 V CA 1.469 63.818 62.300 0.082 0.000 1.014 102 V CB -0.676 31.229 31.823 0.137 0.000 0.645 102 V HN 0.394 nan 8.190 nan 0.000 0.447 103 Q N 0.224 120.112 119.800 0.148 0.000 2.045 103 Q HA -0.192 4.149 4.340 0.002 0.000 0.206 103 Q C 2.508 178.543 176.000 0.058 0.000 0.991 103 Q CA 2.457 58.336 55.803 0.127 0.000 0.851 103 Q CB -0.563 28.300 28.738 0.209 0.000 0.911 103 Q HN 0.690 nan 8.270 nan 0.000 0.418 104 S N 0.322 116.042 115.700 0.033 0.000 2.335 104 S HA -0.032 4.439 4.470 0.002 0.000 0.217 104 S C 2.175 176.731 174.600 -0.073 0.000 1.032 104 S CA 1.292 59.450 58.200 -0.071 0.000 0.985 104 S CB -0.135 62.962 63.200 -0.171 0.000 0.896 104 S HN 0.238 nan 8.310 nan 0.000 0.445 105 S N 1.025 116.713 115.700 -0.019 0.000 2.470 105 S HA 0.306 4.777 4.470 0.002 0.000 0.222 105 S C 1.555 176.124 174.600 -0.052 0.000 1.024 105 S CA 0.295 58.491 58.200 -0.008 0.000 0.931 105 S CB -0.068 63.184 63.200 0.085 0.000 0.791 105 S HN 0.290 nan 8.310 nan 0.000 0.513 106 L N 0.422 121.584 121.223 -0.101 0.000 2.554 106 L HA 0.238 4.579 4.340 0.002 0.000 0.225 106 L C 1.338 178.283 176.870 0.126 0.000 1.104 106 L CA 0.213 54.909 54.840 -0.240 0.000 0.866 106 L CB 0.044 41.754 42.059 -0.581 0.000 1.047 106 L HN 0.171 nan 8.230 nan 0.000 0.468 107 V N -1.341 118.635 119.914 0.104 0.000 3.001 107 V HA 0.039 4.160 4.120 0.002 0.000 0.228 107 V C 2.038 178.183 176.094 0.085 0.000 1.204 107 V CA 0.462 62.836 62.300 0.123 0.000 1.247 107 V CB 0.189 32.057 31.823 0.074 0.000 1.093 107 V HN 0.143 nan 8.190 nan 0.000 0.504 108 M N 0.056 119.685 119.600 0.049 0.000 2.132 108 M HA -0.124 4.357 4.480 0.002 0.000 0.263 108 M C 2.201 178.525 176.300 0.040 0.000 1.065 108 M CA 1.565 56.883 55.300 0.030 0.000 1.122 108 M CB -0.375 32.214 32.600 -0.018 0.000 1.365 108 M HN 0.229 nan 8.290 nan 0.000 0.411 109 V N 1.143 121.071 119.914 0.024 0.000 2.287 109 V HA -0.189 3.932 4.120 0.002 0.000 0.248 109 V C -0.604 175.504 176.094 0.024 0.000 1.053 109 V CA 2.127 64.452 62.300 0.042 0.000 1.027 109 V CB -1.971 29.863 31.823 0.018 0.000 0.646 109 V HN 0.305 nan 8.190 nan 0.000 0.447 110 P HA -0.076 nan 4.420 nan 0.000 0.218 110 P C 1.856 179.189 177.300 0.055 0.000 1.152 110 P CA 1.448 64.605 63.100 0.096 0.000 0.826 110 P CB 0.011 31.976 31.700 0.441 0.000 0.790 111 I N -1.252 119.361 120.570 0.071 0.000 2.179 111 I HA -0.236 3.935 4.170 0.002 0.000 0.242 111 I C 2.495 178.619 176.117 0.011 0.000 1.088 111 I CA 1.413 62.741 61.300 0.046 0.000 1.357 111 I CB -0.761 37.273 38.000 0.057 0.000 1.051 111 I HN -0.165 nan 8.210 nan 0.000 0.409 112 F N 1.938 121.799 119.950 -0.149 0.000 2.171 112 F HA -0.227 4.301 4.527 0.002 0.000 0.300 112 F C 2.345 178.025 175.800 -0.199 0.000 1.090 112 F CA 1.891 59.757 58.000 -0.223 0.000 1.293 112 F CB -0.136 38.736 39.000 -0.214 0.000 1.013 112 F HN -0.037 nan 8.300 nan 0.000 0.486 113 E N -0.906 119.020 120.200 -0.456 0.000 2.122 113 E HA -0.010 4.341 4.350 0.002 0.000 0.190 113 E C 1.279 177.583 176.600 -0.493 0.000 0.977 113 E CA 1.255 57.224 56.400 -0.719 0.000 0.820 113 E CB -0.155 28.947 29.700 -0.996 0.000 0.770 113 E HN 0.386 nan 8.360 nan 0.000 0.462 114 F N -1.380 118.571 119.950 0.002 0.000 2.746 114 F HA 0.432 4.960 4.527 0.002 0.000 0.320 114 F C 1.034 176.845 175.800 0.018 0.000 1.097 114 F CA -0.049 57.991 58.000 0.065 0.000 1.195 114 F CB 0.035 39.092 39.000 0.094 0.000 1.056 114 F HN -0.094 nan 8.300 nan 0.000 0.562 115 G N 0.439 109.302 108.800 0.105 0.000 2.537 115 G HA2 0.406 4.367 3.960 0.002 0.000 0.273 115 G HA3 0.406 4.367 3.960 0.002 0.000 0.273 115 G C 0.034 174.946 174.900 0.020 0.000 1.189 115 G CA -0.231 44.885 45.100 0.026 0.000 0.881 115 G HN 0.190 nan 8.290 nan 0.000 0.535 116 S N -0.234 115.450 115.700 -0.027 0.000 2.614 116 S HA 0.139 4.610 4.470 0.002 0.000 0.265 116 S C 0.707 175.352 174.600 0.074 0.000 1.303 116 S CA -0.242 57.969 58.200 0.019 0.000 1.000 116 S CB 1.380 64.573 63.200 -0.011 0.000 0.935 116 S HN 0.491 nan 8.310 nan 0.000 0.551 117 D N 1.425 121.888 120.400 0.105 0.000 2.149 117 D HA -0.081 4.560 4.640 0.002 0.000 0.198 117 D C 2.211 178.582 176.300 0.119 0.000 0.990 117 D CA 1.760 55.836 54.000 0.127 0.000 0.839 117 D CB -0.834 40.044 40.800 0.131 0.000 0.948 117 D HN 0.705 nan 8.370 nan 0.000 0.460 118 A N 0.985 123.859 122.820 0.089 0.000 1.851 118 A HA -0.266 4.055 4.320 0.002 0.000 0.216 118 A C 2.171 179.800 177.584 0.075 0.000 1.195 118 A CA 1.773 53.853 52.037 0.072 0.000 0.622 118 A CB -0.813 18.222 19.000 0.058 0.000 0.831 118 A HN 0.221 nan 8.150 nan 0.000 0.444 119 Q N -0.333 119.533 119.800 0.110 0.000 2.112 119 Q HA -0.204 4.137 4.340 0.002 0.000 0.206 119 Q C 2.108 178.242 176.000 0.222 0.000 0.987 119 Q CA 1.863 57.797 55.803 0.218 0.000 0.858 119 Q CB -0.221 28.645 28.738 0.214 0.000 0.905 119 Q HN 0.619 nan 8.270 nan 0.000 0.420 120 K N 0.409 120.874 120.400 0.108 0.000 2.147 120 K HA -0.138 4.183 4.320 0.002 0.000 0.205 120 K C 1.848 178.511 176.600 0.106 0.000 1.049 120 K CA 0.967 57.252 56.287 -0.005 0.000 0.936 120 K CB 0.030 32.380 32.500 -0.251 0.000 0.722 120 K HN 0.304 nan 8.250 nan 0.000 0.446 121 E N 0.791 121.100 120.200 0.183 0.000 2.122 121 E HA -0.105 4.246 4.350 0.002 0.000 0.190 121 E C 2.001 178.649 176.600 0.081 0.000 0.977 121 E CA 0.540 57.065 56.400 0.207 0.000 0.820 121 E CB 0.163 29.966 29.700 0.171 0.000 0.770 121 E HN 0.213 nan 8.360 nan 0.000 0.462 122 K N 0.110 120.499 120.400 -0.017 0.000 2.057 122 K HA -0.153 4.168 4.320 0.002 0.000 0.206 122 K C 1.513 178.063 176.600 -0.084 0.000 1.050 122 K CA 1.332 57.520 56.287 -0.164 0.000 0.935 122 K CB 0.067 32.301 32.500 -0.442 0.000 0.715 122 K HN 0.048 nan 8.250 nan 0.000 0.439 123 Y N 0.028 120.480 120.300 0.252 0.000 2.464 123 Y HA 0.125 4.676 4.550 0.002 0.000 0.288 123 Y C 1.878 177.904 175.900 0.211 0.000 1.133 123 Y CA 0.142 58.443 58.100 0.335 0.000 1.223 123 Y CB -0.107 38.490 38.460 0.229 0.000 1.187 123 Y HN -0.108 nan 8.280 nan 0.000 0.539 124 L N 0.240 121.626 121.223 0.272 0.000 2.012 124 L HA -0.154 4.188 4.340 0.002 0.000 0.210 124 L C -0.554 176.389 176.870 0.121 0.000 1.073 124 L CA 1.425 56.368 54.840 0.170 0.000 0.748 124 L CB -1.687 40.441 42.059 0.116 0.000 0.891 124 L HN 0.162 nan 8.230 nan 0.000 0.431 125 P HA -0.194 nan 4.420 nan 0.000 0.215 125 P C 1.349 178.614 177.300 -0.057 0.000 1.157 125 P CA 1.526 64.632 63.100 0.009 0.000 0.874 125 P CB 0.029 31.712 31.700 -0.027 0.000 0.790 126 K N -1.070 119.257 120.400 -0.121 0.000 2.228 126 K HA 0.025 4.346 4.320 0.002 0.000 0.202 126 K C 2.032 178.629 176.600 -0.006 0.000 1.051 126 K CA 0.746 56.886 56.287 -0.244 0.000 0.960 126 K CB -0.469 31.528 32.500 -0.838 0.000 0.743 126 K HN 0.140 nan 8.250 nan 0.000 0.458 127 L N 0.447 121.750 121.223 0.132 0.000 2.056 127 L HA -0.142 4.199 4.340 0.002 0.000 0.207 127 L C 2.537 179.450 176.870 0.072 0.000 1.078 127 L CA 1.092 56.017 54.840 0.141 0.000 0.749 127 L CB -0.524 41.628 42.059 0.155 0.000 0.901 127 L HN 0.153 nan 8.230 nan 0.000 0.433 128 A N 0.027 122.868 122.820 0.035 0.000 1.940 128 A HA -0.241 4.080 4.320 0.002 0.000 0.219 128 A C 2.373 179.952 177.584 -0.010 0.000 1.176 128 A CA 2.369 54.406 52.037 -0.000 0.000 0.631 128 A CB -0.976 18.014 19.000 -0.017 0.000 0.814 128 A HN 0.527 nan 8.150 nan 0.000 0.446 129 T N -4.564 109.979 114.554 -0.017 0.000 3.100 129 T HA 0.371 4.722 4.350 0.002 0.000 0.253 129 T C 1.460 176.165 174.700 0.008 0.000 1.118 129 T CA 1.110 63.193 62.100 -0.028 0.000 1.058 129 T CB -0.104 68.727 68.868 -0.061 0.000 0.953 129 T HN 1.753 nan 8.240 nan 0.000 0.515 130 G N 1.295 110.128 108.800 0.055 0.000 2.168 130 G HA2 -0.345 3.616 3.960 0.002 0.000 0.263 130 G HA3 -0.345 3.616 3.960 0.002 0.000 0.263 130 G C 0.536 175.498 174.900 0.104 0.000 0.977 130 G CA 0.694 45.871 45.100 0.129 0.000 0.659 130 G HN 0.630 nan 8.290 nan 0.000 0.533 131 E N -1.372 118.849 120.200 0.036 0.000 2.072 131 E HA -0.018 4.333 4.350 0.002 0.000 0.190 131 E C 0.549 177.237 176.600 0.147 0.000 0.982 131 E CA 0.537 56.943 56.400 0.010 0.000 0.803 131 E CB 0.071 29.680 29.700 -0.152 0.000 0.755 131 E HN 0.467 nan 8.360 nan 0.000 0.453 132 W N 0.863 122.157 121.300 -0.010 0.000 2.469 132 W HA 0.449 5.110 4.660 0.002 0.000 0.320 132 W C -0.320 176.123 176.519 -0.127 0.000 1.086 132 W CA -1.057 56.263 57.345 -0.042 0.000 1.211 132 W CB 0.497 29.966 29.460 0.015 0.000 1.298 132 W HN -0.033 nan 8.180 nan 0.000 0.525 133 I N 2.879 123.426 120.570 -0.038 0.000 2.377 133 I HA 0.539 4.710 4.170 0.002 0.000 0.293 133 I C 0.831 176.756 176.117 -0.321 0.000 0.987 133 I CA -0.572 60.510 61.300 -0.364 0.000 1.185 133 I CB 1.293 38.897 38.000 -0.660 0.000 1.341 133 I HN 0.395 nan 8.210 nan 0.000 0.455 134 G N 4.433 113.070 108.800 -0.272 0.000 2.420 134 G HA2 0.637 4.598 3.960 0.002 0.000 0.331 134 G HA3 0.637 4.598 3.960 0.002 0.000 0.331 134 G C -0.889 173.899 174.900 -0.187 0.000 1.168 134 G CA -0.470 44.497 45.100 -0.222 0.000 0.936 134 G HN 0.871 nan 8.290 nan 0.000 0.479 135 C N -0.081 119.094 119.300 -0.207 0.000 3.154 135 C HA 0.890 5.351 4.460 0.002 0.000 0.312 135 C C -1.105 173.987 174.990 0.170 0.000 1.349 135 C CA -1.529 57.477 59.018 -0.019 0.000 1.518 135 C CB 1.031 28.718 27.740 -0.088 0.000 1.934 135 C HN 0.756 nan 8.230 nan 0.000 0.462 136 F N 1.429 121.448 119.950 0.115 0.000 2.553 136 F HA 0.647 5.175 4.527 0.002 0.000 0.335 136 F C 0.219 176.179 175.800 0.267 0.000 1.148 136 F CA -0.141 57.987 58.000 0.214 0.000 0.963 136 F CB 1.213 40.356 39.000 0.240 0.000 1.217 136 F HN 1.079 nan 8.300 nan 0.000 0.441 137 G N 6.502 115.283 108.800 -0.031 0.000 2.607 137 G HA2 0.427 4.388 3.960 0.002 0.000 0.332 137 G HA3 0.427 4.388 3.960 0.002 0.000 0.332 137 G C -0.444 174.427 174.900 -0.048 0.000 1.046 137 G CA -0.239 44.868 45.100 0.012 0.000 1.099 137 G HN 0.731 nan 8.290 nan 0.000 0.451 138 L N 2.118 123.289 121.223 -0.087 0.000 2.638 138 L HA 0.414 4.755 4.340 0.002 0.000 0.195 138 L C 1.275 178.175 176.870 0.050 0.000 1.065 138 L CA 0.894 55.703 54.840 -0.052 0.000 0.859 138 L CB 0.077 42.024 42.059 -0.187 0.000 1.269 138 L HN 0.249 nan 8.230 nan 0.000 0.484 139 T N 2.558 117.177 114.554 0.109 0.000 2.870 139 T HA 0.241 4.592 4.350 0.002 0.000 0.300 139 T C -0.267 174.495 174.700 0.103 0.000 0.989 139 T CA -0.108 62.060 62.100 0.114 0.000 1.139 139 T CB 0.294 69.253 68.868 0.152 0.000 0.920 139 T HN 0.238 nan 8.240 nan 0.000 0.537 140 E N 3.327 123.573 120.200 0.077 0.000 2.222 140 E HA 0.456 4.807 4.350 0.002 0.000 0.267 140 E C -2.006 174.634 176.600 0.067 0.000 0.963 140 E CA -1.958 54.477 56.400 0.059 0.000 0.837 140 E CB 0.782 30.504 29.700 0.038 0.000 1.183 140 E HN 0.421 nan 8.360 nan 0.000 0.403 151 V N -1.157 118.765 119.914 0.013 0.000 3.354 151 V HA 0.233 4.354 4.120 0.002 0.000 0.258 151 V C 0.768 176.862 176.094 -0.001 0.000 1.159 151 V CA 1.137 63.441 62.300 0.005 0.000 1.125 151 V CB 0.050 31.873 31.823 0.001 0.000 0.774 151 V HN 0.879 nan 8.190 nan 0.000 0.464 152 T N 4.657 119.213 114.554 0.003 0.000 2.834 152 T HA 0.478 4.829 4.350 0.002 0.000 0.298 152 T C 0.024 174.714 174.700 -0.016 0.000 0.966 152 T CA 0.127 62.219 62.100 -0.014 0.000 1.141 152 T CB 0.113 68.976 68.868 -0.008 0.000 0.905 152 T HN 0.907 nan 8.240 nan 0.000 0.535 153 R N 0.857 121.327 120.500 -0.050 0.000 2.739 153 R HA 0.775 5.116 4.340 0.002 0.000 0.271 153 R C -1.710 174.516 176.300 -0.124 0.000 1.010 153 R CA -1.237 54.831 56.100 -0.053 0.000 0.897 153 R CB 1.470 31.760 30.300 -0.016 0.000 1.236 153 R HN 0.504 nan 8.270 nan 0.000 0.466 154 A N 2.509 125.250 122.820 -0.132 0.000 2.256 154 A HA 0.478 4.799 4.320 0.002 0.000 0.317 154 A C -0.524 177.051 177.584 -0.015 0.000 1.318 154 A CA -0.845 51.070 52.037 -0.203 0.000 0.894 154 A CB 0.515 19.265 19.000 -0.417 0.000 1.165 154 A HN 0.679 nan 8.150 nan 0.000 0.525 155 R N 1.804 122.304 120.500 0.001 0.000 2.298 155 R HA 0.210 4.551 4.340 0.002 0.000 0.310 155 R C 0.017 176.388 176.300 0.118 0.000 1.068 155 R CA -0.191 55.940 56.100 0.052 0.000 0.957 155 R CB 0.827 31.139 30.300 0.020 0.000 1.003 155 R HN 0.706 nan 8.270 nan 0.000 0.454 156 K N 3.050 123.540 120.400 0.149 0.000 2.412 156 K HA 0.098 4.419 4.320 0.002 0.000 0.284 156 K C -0.310 176.293 176.600 0.004 0.000 1.046 156 K CA -0.135 56.213 56.287 0.102 0.000 0.999 156 K CB 0.348 32.908 32.500 0.100 0.000 0.941 156 K HN 0.442 nan 8.250 nan 0.000 0.474 157 V N 1.611 121.489 119.914 -0.060 0.000 3.167 157 V HA 0.638 4.759 4.120 0.002 0.000 0.310 157 V C -2.750 173.336 176.094 -0.013 0.000 1.207 157 V CA -2.731 59.565 62.300 -0.006 0.000 1.059 157 V CB 1.461 33.320 31.823 0.059 0.000 1.079 157 V HN 0.606 nan 8.190 nan 0.000 0.446 158 P HA 0.437 nan 4.420 nan 0.000 0.270 158 P C 0.836 178.196 177.300 0.100 0.000 1.242 158 P CA 1.582 64.698 63.100 0.027 0.000 0.768 158 P CB 0.641 32.347 31.700 0.010 0.000 0.820 159 G N 2.184 111.021 108.800 0.062 0.000 2.258 159 G HA2 -0.075 3.886 3.960 0.002 0.000 0.233 159 G HA3 -0.075 3.886 3.960 0.002 0.000 0.233 159 G C 0.468 175.413 174.900 0.074 0.000 1.006 159 G CA 0.213 45.400 45.100 0.145 0.000 0.620 159 G HN 0.933 nan 8.290 nan 0.000 0.511 160 G N -1.267 107.460 108.800 -0.122 0.000 2.927 160 G HA2 0.571 4.532 3.960 0.002 0.000 0.111 160 G HA3 0.571 4.532 3.960 0.002 0.000 0.111 160 G C -1.211 173.162 174.900 -0.879 0.000 1.198 160 G CA 0.316 45.055 45.100 -0.601 0.000 1.382 160 G HN 0.916 nan 8.290 nan 0.000 0.663 161 Y N -0.275 119.823 120.300 -0.335 0.000 2.544 161 Y HA 0.747 5.298 4.550 0.002 0.000 0.342 161 Y C -0.117 175.611 175.900 -0.287 0.000 1.062 161 Y CA -0.777 57.181 58.100 -0.236 0.000 1.023 161 Y CB 2.510 40.835 38.460 -0.225 0.000 1.308 161 Y HN 0.458 nan 8.280 nan 0.000 0.457 162 S N 2.509 118.199 115.700 -0.017 0.000 2.474 162 S HA 0.664 5.135 4.470 0.002 0.000 0.321 162 S C -1.559 172.968 174.600 -0.122 0.000 1.080 162 S CA -0.456 57.718 58.200 -0.043 0.000 1.106 162 S CB 0.046 63.260 63.200 0.023 0.000 0.984 162 S HN 0.483 nan 8.310 nan 0.000 0.464 163 L N 4.409 125.518 121.223 -0.190 0.000 2.265 163 L HA 0.527 4.869 4.340 0.002 0.000 0.289 163 L C 0.264 177.044 176.870 -0.149 0.000 1.033 163 L CA 0.263 54.960 54.840 -0.239 0.000 0.814 163 L CB 1.420 43.261 42.059 -0.363 0.000 1.203 163 L HN 0.545 nan 8.230 nan 0.000 0.423 164 S N 1.372 117.004 115.700 -0.115 0.000 2.501 164 S HA 0.962 5.433 4.470 0.002 0.000 0.301 164 S C 0.135 174.690 174.600 -0.076 0.000 1.096 164 S CA -0.098 58.052 58.200 -0.082 0.000 1.063 164 S CB 1.794 64.960 63.200 -0.056 0.000 1.042 164 S HN 0.975 nan 8.310 nan 0.000 0.494 165 G N 1.020 109.781 108.800 -0.065 0.000 2.369 165 G HA2 0.363 4.324 3.960 0.002 0.000 0.295 165 G HA3 0.363 4.324 3.960 0.002 0.000 0.295 165 G C -1.404 173.467 174.900 -0.048 0.000 1.298 165 G CA -0.562 44.508 45.100 -0.049 0.000 0.940 165 G HN 0.750 nan 8.290 nan 0.000 0.536 166 S N -0.540 115.141 115.700 -0.031 0.000 2.548 166 S HA 0.726 5.197 4.470 0.002 0.000 0.276 166 S C -0.983 173.613 174.600 -0.006 0.000 1.129 166 S CA -0.747 57.437 58.200 -0.027 0.000 0.931 166 S CB 1.356 64.540 63.200 -0.027 0.000 1.068 166 S HN 0.641 nan 8.310 nan 0.000 0.480 167 K N 2.277 122.678 120.400 0.002 0.000 2.318 167 K HA 0.645 4.966 4.320 0.002 0.000 0.249 167 K C -0.892 175.726 176.600 0.030 0.000 0.942 167 K CA -0.809 55.499 56.287 0.036 0.000 0.808 167 K CB 1.827 34.362 32.500 0.058 0.000 1.189 167 K HN 0.608 nan 8.250 nan 0.000 0.428 168 M N 0.328 119.968 119.600 0.066 0.000 2.572 168 M HA 0.334 4.815 4.480 0.002 0.000 0.299 168 M C -1.526 174.883 176.300 0.181 0.000 1.205 168 M CA -0.041 55.265 55.300 0.009 0.000 0.876 168 M CB 1.204 33.791 32.600 -0.022 0.000 1.728 168 M HN 0.617 nan 8.290 nan 0.000 0.458 169 W N 4.427 125.782 121.300 0.092 0.000 5.820 169 W HA -0.153 4.508 4.660 0.002 0.000 0.415 169 W C -0.992 175.642 176.519 0.192 0.000 1.627 169 W CA -0.205 57.221 57.345 0.135 0.000 0.991 169 W CB -1.416 28.130 29.460 0.143 0.000 2.842 169 W HN 0.339 nan 8.180 nan 0.000 1.416 170 I N 1.135 121.885 120.570 0.300 0.000 2.330 170 I HA 0.164 4.335 4.170 0.002 0.000 0.286 170 I C 1.058 177.314 176.117 0.232 0.000 1.025 170 I CA -0.676 60.791 61.300 0.278 0.000 1.197 170 I CB 0.229 38.358 38.000 0.214 0.000 1.358 170 I HN -0.144 nan 8.210 nan 0.000 0.467 171 T N 7.077 121.782 114.554 0.251 0.000 2.888 171 T HA 0.120 4.471 4.350 0.002 0.000 0.301 171 T C 0.939 175.736 174.700 0.162 0.000 1.001 171 T CA 0.288 62.504 62.100 0.194 0.000 1.147 171 T CB 0.242 69.210 68.868 0.167 0.000 0.931 171 T HN 0.621 nan 8.240 nan 0.000 0.541 172 N N 0.386 119.172 118.700 0.143 0.000 2.967 172 N HA -0.233 4.508 4.740 0.002 0.000 0.212 172 N C 1.575 177.087 175.510 0.004 0.000 0.884 172 N CA 1.618 54.719 53.050 0.085 0.000 1.030 172 N CB -1.739 36.766 38.487 0.030 0.000 1.018 172 N HN 0.722 nan 8.380 nan 0.000 0.596 173 S N 0.156 115.885 115.700 0.048 0.000 2.383 173 S HA -0.027 4.444 4.470 0.002 0.000 0.229 173 S C -0.928 173.729 174.600 0.095 0.000 1.030 173 S CA 1.507 59.750 58.200 0.071 0.000 1.002 173 S CB -0.832 62.471 63.200 0.172 0.000 0.829 173 S HN 0.283 nan 8.310 nan 0.000 0.467 174 P HA 0.208 nan 4.420 nan 0.000 0.245 174 P C 1.033 178.368 177.300 0.058 0.000 1.212 174 P CA 0.525 63.670 63.100 0.075 0.000 0.774 174 P CB -0.294 31.440 31.700 0.057 0.000 0.999 175 I N -6.225 114.355 120.570 0.016 0.000 4.050 175 I HA 0.523 4.694 4.170 0.002 0.000 0.327 175 I C 0.288 176.326 176.117 -0.131 0.000 1.473 175 I CA -0.842 60.447 61.300 -0.017 0.000 1.124 175 I CB 0.270 38.284 38.000 0.023 0.000 1.129 175 I HN -0.305 nan 8.210 nan 0.000 0.428 176 A N 1.224 123.914 122.820 -0.217 0.000 2.340 176 A HA 0.346 4.667 4.320 0.002 0.000 0.268 176 A C 0.381 177.728 177.584 -0.395 0.000 1.100 176 A CA -0.202 51.568 52.037 -0.445 0.000 0.803 176 A CB 0.407 18.933 19.000 -0.791 0.000 1.043 176 A HN 0.388 nan 8.150 nan 0.000 0.488 177 D N 0.233 120.401 120.400 -0.387 0.000 2.379 177 D HA 0.121 4.762 4.640 0.002 0.000 0.218 177 D C -0.127 175.952 176.300 -0.369 0.000 1.006 177 D CA 1.022 54.827 54.000 -0.324 0.000 0.893 177 D CB 0.470 41.015 40.800 -0.424 0.000 1.019 177 D HN 0.238 nan 8.370 nan 0.000 0.503 178 V N 1.589 121.220 119.914 -0.472 0.000 2.487 178 V HA 0.342 4.463 4.120 0.002 0.000 0.298 178 V C -0.889 174.930 176.094 -0.458 0.000 1.028 178 V CA -0.707 61.375 62.300 -0.363 0.000 0.860 178 V CB 1.573 33.209 31.823 -0.311 0.000 0.991 178 V HN -0.112 nan 8.190 nan 0.000 0.427 179 F N 3.242 123.084 119.950 -0.180 0.000 2.427 179 F HA 0.514 5.042 4.527 0.002 0.000 0.348 179 F C 0.129 175.834 175.800 -0.159 0.000 1.125 179 F CA -0.914 57.013 58.000 -0.122 0.000 0.989 179 F CB 1.894 40.828 39.000 -0.109 0.000 1.165 179 F HN 0.181 nan 8.300 nan 0.000 0.442 180 V N 5.391 125.311 119.914 0.010 0.000 2.304 180 V HA 0.263 4.384 4.120 0.002 0.000 0.262 180 V C -0.119 175.810 176.094 -0.276 0.000 1.061 180 V CA -0.480 61.739 62.300 -0.136 0.000 0.872 180 V CB 0.615 32.436 31.823 -0.004 0.000 1.077 180 V HN 0.492 nan 8.190 nan 0.000 0.480 181 V N 4.304 124.029 119.914 -0.315 0.000 2.483 181 V HA 0.492 4.613 4.120 0.002 0.000 0.295 181 V C -0.735 175.158 176.094 -0.335 0.000 1.035 181 V CA -0.769 61.395 62.300 -0.226 0.000 0.896 181 V CB 1.939 33.715 31.823 -0.078 0.000 0.986 181 V HN 0.862 nan 8.190 nan 0.000 0.447 182 W N 3.345 124.626 121.300 -0.031 0.000 2.417 182 W HA 0.783 5.444 4.660 0.002 0.000 0.315 182 W C 0.106 176.653 176.519 0.047 0.000 1.045 182 W CA -0.161 57.187 57.345 0.006 0.000 1.221 182 W CB 1.662 31.068 29.460 -0.091 0.000 1.309 182 W HN 0.716 nan 8.180 nan 0.000 0.453 183 A N 2.762 125.782 122.820 0.333 0.000 2.532 183 A HA 0.816 5.137 4.320 0.002 0.000 0.290 183 A C -1.054 176.660 177.584 0.215 0.000 1.143 183 A CA -1.193 50.967 52.037 0.205 0.000 0.728 183 A CB 1.565 20.597 19.000 0.053 0.000 1.317 183 A HN 0.526 nan 8.150 nan 0.000 0.414 184 K N -0.155 120.316 120.400 0.119 0.000 2.130 184 K HA 0.631 4.952 4.320 0.002 0.000 0.268 184 K C -1.564 175.085 176.600 0.082 0.000 0.983 184 K CA -0.435 55.907 56.287 0.091 0.000 0.893 184 K CB 1.784 34.316 32.500 0.053 0.000 1.066 184 K HN 0.483 nan 8.250 nan 0.000 0.450 185 L N 2.319 123.587 121.223 0.075 0.000 2.422 185 L HA 0.355 4.696 4.340 0.002 0.000 0.264 185 L C -1.659 175.242 176.870 0.052 0.000 0.984 185 L CA -0.511 54.372 54.840 0.071 0.000 0.819 185 L CB 1.855 43.963 42.059 0.083 0.000 1.330 185 L HN 0.599 nan 8.230 nan 0.000 0.410 186 D N 2.415 122.849 120.400 0.057 0.000 2.229 186 D HA 0.517 5.158 4.640 0.002 0.000 0.249 186 D C -0.669 175.663 176.300 0.053 0.000 1.027 186 D CA -0.441 53.586 54.000 0.045 0.000 0.923 186 D CB 1.482 42.304 40.800 0.037 0.000 1.174 186 D HN 0.595 nan 8.370 nan 0.000 0.443 192 E N 1.689 121.898 120.200 0.015 0.000 2.449 192 E HA 0.463 4.814 4.350 0.002 0.000 0.278 192 E C -0.321 176.293 176.600 0.023 0.000 0.992 192 E CA -0.950 55.455 56.400 0.009 0.000 0.807 192 E CB 2.093 31.789 29.700 -0.006 0.000 1.350 192 E HN 0.307 nan 8.360 nan 0.000 0.462 193 I N 2.547 123.133 120.570 0.027 0.000 2.396 193 I HA 0.215 4.386 4.170 0.002 0.000 0.289 193 I C 0.049 176.211 176.117 0.075 0.000 1.056 193 I CA -0.200 61.144 61.300 0.074 0.000 1.365 193 I CB 0.100 38.138 38.000 0.064 0.000 1.407 193 I HN 0.088 nan 8.210 nan 0.000 0.509 194 R N 4.457 124.994 120.500 0.062 0.000 2.803 194 R HA 0.575 4.916 4.340 0.002 0.000 0.276 194 R C -0.201 175.943 176.300 -0.260 0.000 0.978 194 R CA -0.986 55.016 56.100 -0.163 0.000 0.939 194 R CB 1.702 31.714 30.300 -0.480 0.000 1.179 194 R HN 0.715 nan 8.270 nan 0.000 0.472 195 G N 1.242 109.696 108.800 -0.576 0.000 2.356 195 G HA2 0.569 4.530 3.960 0.002 0.000 0.298 195 G HA3 0.569 4.530 3.960 0.002 0.000 0.298 195 G C -1.020 173.241 174.900 -1.065 0.000 1.145 195 G CA -0.178 44.238 45.100 -1.141 0.000 0.850 195 G HN 0.255 nan 8.290 nan 0.000 0.487 196 F N 0.563 120.159 119.950 -0.590 0.000 2.546 196 F HA 0.539 5.067 4.527 0.002 0.000 0.320 196 F C 0.332 175.922 175.800 -0.351 0.000 1.076 196 F CA -0.856 56.909 58.000 -0.392 0.000 0.928 196 F CB 2.374 41.178 39.000 -0.328 0.000 1.189 196 F HN 0.175 nan 8.300 nan 0.000 0.465 197 I N 4.316 124.841 120.570 -0.075 0.000 2.362 197 I HA 0.407 4.578 4.170 0.002 0.000 0.289 197 I C -1.109 174.966 176.117 -0.070 0.000 0.994 197 I CA -0.620 60.592 61.300 -0.147 0.000 1.158 197 I CB 1.334 39.172 38.000 -0.269 0.000 1.315 197 I HN 0.306 nan 8.210 nan 0.000 0.451 198 L N 6.283 127.483 121.223 -0.038 0.000 2.319 198 L HA 0.540 4.881 4.340 0.002 0.000 0.267 198 L C -0.203 176.716 176.870 0.081 0.000 1.011 198 L CA -0.502 54.327 54.840 -0.018 0.000 0.818 198 L CB 1.557 43.540 42.059 -0.126 0.000 1.316 198 L HN 0.481 nan 8.230 nan 0.000 0.432 199 E N 0.436 120.663 120.200 0.045 0.000 2.212 199 E HA 0.323 4.674 4.350 0.002 0.000 0.268 199 E C -1.106 175.545 176.600 0.084 0.000 0.902 199 E CA -1.116 55.320 56.400 0.060 0.000 0.779 199 E CB 2.319 32.009 29.700 -0.016 0.000 1.172 199 E HN 0.329 nan 8.360 nan 0.000 0.409 200 K N 0.657 121.169 120.400 0.187 0.000 2.489 200 K HA 0.031 4.352 4.320 0.002 0.000 0.278 200 K C 0.720 177.340 176.600 0.034 0.000 1.000 200 K CA 1.429 57.814 56.287 0.163 0.000 1.012 200 K CB 0.124 32.718 32.500 0.157 0.000 0.903 200 K HN 0.786 nan 8.250 nan 0.000 0.485 201 G N 2.732 111.535 108.800 0.004 0.000 2.313 201 G HA2 -0.293 3.668 3.960 0.002 0.000 0.215 201 G HA3 -0.293 3.668 3.960 0.002 0.000 0.215 201 G C 0.322 175.209 174.900 -0.021 0.000 1.023 201 G CA -0.121 44.977 45.100 -0.004 0.000 0.626 201 G HN 0.882 nan 8.290 nan 0.000 0.503 202 C N 4.115 123.395 119.300 -0.033 0.000 2.465 202 C HA 0.434 4.895 4.460 0.002 0.000 0.402 202 C C 1.235 176.197 174.990 -0.047 0.000 1.448 202 C CA 0.062 59.064 59.018 -0.028 0.000 1.589 202 C CB -0.788 26.927 27.740 -0.042 0.000 2.535 202 C HN 0.499 nan 8.230 nan 0.000 0.600 203 K N 4.716 125.102 120.400 -0.023 0.000 2.350 203 K HA 0.422 4.743 4.320 0.002 0.000 0.279 203 K C 1.167 177.742 176.600 -0.041 0.000 1.027 203 K CA 0.685 56.953 56.287 -0.032 0.000 0.969 203 K CB 0.481 32.965 32.500 -0.026 0.000 0.954 203 K HN 1.283 nan 8.250 nan 0.000 0.474 204 G N 1.482 110.250 108.800 -0.054 0.000 2.141 204 G HA2 -0.236 3.725 3.960 0.002 0.000 0.242 204 G HA3 -0.236 3.725 3.960 0.002 0.000 0.242 204 G C -0.539 174.300 174.900 -0.102 0.000 0.982 204 G CA -0.072 44.989 45.100 -0.065 0.000 0.662 204 G HN 0.464 nan 8.290 nan 0.000 0.527 205 L N 2.140 123.286 121.223 -0.127 0.000 2.372 205 L HA 0.798 5.139 4.340 0.002 0.000 0.273 205 L C 0.134 176.899 176.870 -0.174 0.000 0.989 205 L CA -0.120 54.597 54.840 -0.205 0.000 0.841 205 L CB 1.751 43.624 42.059 -0.310 0.000 1.225 205 L HN 0.514 nan 8.230 nan 0.000 0.414 206 S N 3.230 118.844 115.700 -0.143 0.000 2.638 206 S HA 0.958 5.429 4.470 0.002 0.000 0.302 206 S C -0.303 174.257 174.600 -0.067 0.000 1.096 206 S CA -0.317 57.831 58.200 -0.086 0.000 0.953 206 S CB 2.016 65.185 63.200 -0.051 0.000 1.107 206 S HN 0.973 nan 8.310 nan 0.000 0.503 207 A N 1.789 124.610 122.820 0.001 0.000 3.266 207 A HA 0.587 4.908 4.320 0.002 0.000 0.310 207 A C -2.893 174.713 177.584 0.038 0.000 1.066 207 A CA -1.339 50.730 52.037 0.054 0.000 0.839 207 A CB 0.048 19.156 19.000 0.181 0.000 1.192 207 A HN 0.603 nan 8.150 nan 0.000 0.496 208 P HA 0.341 nan 4.420 nan 0.000 0.271 208 P C 0.252 177.540 177.300 -0.019 0.000 1.216 208 P CA 0.235 63.336 63.100 0.001 0.000 0.776 208 P CB 1.095 32.785 31.700 -0.016 0.000 0.881 209 A N 3.853 126.671 122.820 -0.003 0.000 2.425 209 A HA 0.325 4.646 4.320 0.002 0.000 0.249 209 A C 0.337 177.827 177.584 -0.156 0.000 1.084 209 A CA -0.355 51.632 52.037 -0.084 0.000 0.781 209 A CB -0.464 18.520 19.000 -0.027 0.000 1.019 209 A HN 0.520 nan 8.150 nan 0.000 0.490 210 I N 3.170 123.570 120.570 -0.284 0.000 2.321 210 I HA 0.299 4.470 4.170 0.002 0.000 0.291 210 I C 0.090 175.984 176.117 -0.372 0.000 0.998 210 I CA -0.081 61.045 61.300 -0.291 0.000 1.227 210 I CB 0.746 38.505 38.000 -0.402 0.000 1.368 210 I HN 0.658 nan 8.210 nan 0.000 0.466 211 H N 3.583 122.638 119.070 -0.025 0.000 2.797 211 H HA 0.437 4.994 4.556 0.002 0.000 0.362 211 H C 0.699 176.042 175.328 0.025 0.000 1.183 211 H CA -0.135 55.918 56.048 0.008 0.000 1.197 211 H CB 2.166 31.930 29.762 0.004 0.000 1.835 211 H HN 0.759 nan 8.280 nan 0.000 0.567 212 G N 1.376 110.278 108.800 0.169 0.000 2.132 212 G HA2 -0.244 3.717 3.960 0.002 0.000 0.234 212 G HA3 -0.244 3.717 3.960 0.002 0.000 0.234 212 G C 0.092 175.049 174.900 0.095 0.000 0.989 212 G CA -0.069 45.093 45.100 0.103 0.000 0.676 212 G HN 0.453 nan 8.290 nan 0.000 0.522 213 K N -0.371 120.086 120.400 0.094 0.000 2.380 213 K HA 0.393 4.714 4.320 0.002 0.000 0.267 213 K C 1.456 178.067 176.600 0.018 0.000 0.990 213 K CA 0.042 56.390 56.287 0.102 0.000 0.946 213 K CB 1.497 34.056 32.500 0.098 0.000 0.937 213 K HN 0.013 nan 8.250 nan 0.000 0.491 214 V N 1.287 121.224 119.914 0.037 0.000 2.426 214 V HA 0.003 4.124 4.120 0.002 0.000 0.242 214 V C 1.029 177.158 176.094 0.058 0.000 1.036 214 V CA 1.537 63.857 62.300 0.034 0.000 1.044 214 V CB 0.240 32.093 31.823 0.050 0.000 0.688 214 V HN 0.944 nan 8.190 nan 0.000 0.462 215 G N -1.815 107.022 108.800 0.061 0.000 2.644 215 G HA2 0.533 4.494 3.960 0.002 0.000 0.307 215 G HA3 0.533 4.494 3.960 0.002 0.000 0.307 215 G C -0.150 174.791 174.900 0.069 0.000 1.250 215 G CA -0.712 44.460 45.100 0.120 0.000 0.996 215 G HN 0.233 nan 8.290 nan 0.000 0.489 216 L N -1.080 120.212 121.223 0.115 0.000 3.843 216 L HA -0.236 4.105 4.340 0.002 0.000 0.411 216 L C 2.170 179.032 176.870 -0.014 0.000 1.205 216 L CA 0.155 55.024 54.840 0.047 0.000 0.945 216 L CB -0.920 41.151 42.059 0.021 0.000 1.929 216 L HN 0.657 nan 8.230 nan 0.000 0.934 217 R N 0.327 120.752 120.500 -0.125 0.000 2.148 217 R HA -0.051 4.290 4.340 0.002 0.000 0.227 217 R C 2.224 178.416 176.300 -0.181 0.000 1.103 217 R CA 1.292 57.208 56.100 -0.306 0.000 0.983 217 R CB -0.097 29.661 30.300 -0.903 0.000 0.874 217 R HN 0.588 nan 8.270 nan 0.000 0.451 218 A N 1.081 123.835 122.820 -0.109 0.000 2.119 218 A HA -0.043 4.278 4.320 0.002 0.000 0.217 218 A C 1.042 178.565 177.584 -0.102 0.000 1.153 218 A CA 0.659 52.608 52.037 -0.146 0.000 0.692 218 A CB -0.095 18.661 19.000 -0.406 0.000 0.799 218 A HN 0.327 nan 8.150 nan 0.000 0.458 219 S N -0.865 114.803 115.700 -0.053 0.000 2.578 219 S HA 0.639 5.110 4.470 0.002 0.000 0.283 219 S C -0.289 174.349 174.600 0.064 0.000 1.195 219 S CA -0.718 57.505 58.200 0.039 0.000 1.050 219 S CB 1.183 64.412 63.200 0.048 0.000 1.012 219 S HN 0.364 nan 8.310 nan 0.000 0.511 220 I N 2.450 123.083 120.570 0.106 0.000 2.353 220 I HA 0.424 4.595 4.170 0.002 0.000 0.293 220 I C -0.641 175.523 176.117 0.078 0.000 0.992 220 I CA 0.060 61.403 61.300 0.073 0.000 1.268 220 I CB 1.175 39.232 38.000 0.095 0.000 1.387 220 I HN 0.817 nan 8.210 nan 0.000 0.478 221 T N 5.060 119.633 114.554 0.032 0.000 2.908 221 T HA 0.837 5.188 4.350 0.002 0.000 0.290 221 T C -0.094 174.590 174.700 -0.027 0.000 1.034 221 T CA -0.657 61.488 62.100 0.075 0.000 1.010 221 T CB 1.855 70.840 68.868 0.196 0.000 1.068 221 T HN 0.846 nan 8.240 nan 0.000 0.481 222 G N 0.500 109.299 108.800 -0.001 0.000 2.731 222 G HA2 0.645 4.606 3.960 0.002 0.000 0.309 222 G HA3 0.645 4.606 3.960 0.002 0.000 0.309 222 G C -1.652 173.220 174.900 -0.048 0.000 1.273 222 G CA -0.830 44.234 45.100 -0.060 0.000 0.798 222 G HN 0.638 nan 8.290 nan 0.000 0.509 223 E N -1.147 119.026 120.200 -0.046 0.000 2.285 223 E HA 0.658 5.009 4.350 0.002 0.000 0.254 223 E C -0.916 175.703 176.600 0.030 0.000 1.011 223 E CA -0.765 55.615 56.400 -0.032 0.000 0.873 223 E CB 2.476 32.131 29.700 -0.074 0.000 1.229 223 E HN 0.271 nan 8.360 nan 0.000 0.422 224 I N 1.402 121.984 120.570 0.020 0.000 2.468 224 I HA 0.217 4.388 4.170 0.002 0.000 0.284 224 I C -1.082 175.003 176.117 -0.053 0.000 1.038 224 I CA -0.831 60.467 61.300 -0.003 0.000 1.083 224 I CB 1.743 39.763 38.000 0.033 0.000 1.223 224 I HN 0.120 nan 8.210 nan 0.000 0.443 225 V N 7.341 127.207 119.914 -0.080 0.000 2.347 225 V HA 0.410 4.531 4.120 0.002 0.000 0.280 225 V C 0.023 176.053 176.094 -0.107 0.000 1.021 225 V CA -0.433 61.820 62.300 -0.079 0.000 0.847 225 V CB 1.442 33.226 31.823 -0.064 0.000 0.990 225 V HN 0.483 nan 8.190 nan 0.000 0.444 226 L N 4.460 125.621 121.223 -0.103 0.000 2.280 226 L HA 0.565 4.906 4.340 0.002 0.000 0.287 226 L C -0.478 176.339 176.870 -0.088 0.000 1.023 226 L CA -0.254 54.516 54.840 -0.117 0.000 0.819 226 L CB 1.512 43.488 42.059 -0.138 0.000 1.212 226 L HN 0.547 nan 8.230 nan 0.000 0.420 227 D N 4.936 125.289 120.400 -0.080 0.000 2.432 227 D HA 0.112 4.753 4.640 0.002 0.000 0.265 227 D C -0.054 176.216 176.300 -0.050 0.000 1.160 227 D CA -0.229 53.736 54.000 -0.058 0.000 0.911 227 D CB 0.521 41.291 40.800 -0.050 0.000 1.052 227 D HN 0.407 nan 8.370 nan 0.000 0.508 228 E N 0.565 120.735 120.200 -0.049 0.000 2.228 228 E HA -0.206 4.145 4.350 0.002 0.000 0.213 228 E C -0.529 176.058 176.600 -0.022 0.000 1.282 228 E CA 0.683 57.064 56.400 -0.032 0.000 0.707 228 E CB -1.843 27.848 29.700 -0.015 0.000 1.150 228 E HN 0.530 nan 8.360 nan 0.000 0.362 229 A N 0.870 123.656 122.820 -0.057 0.000 2.409 229 A HA 0.428 4.749 4.320 0.002 0.000 0.262 229 A C -0.066 177.511 177.584 -0.011 0.000 1.113 229 A CA -0.333 51.675 52.037 -0.049 0.000 0.790 229 A CB 0.172 19.098 19.000 -0.124 0.000 1.046 229 A HN 0.276 nan 8.150 nan 0.000 0.496 230 F N 3.793 123.690 119.950 -0.087 0.000 2.438 230 F HA 0.496 5.024 4.527 0.002 0.000 0.356 230 F C -0.285 175.490 175.800 -0.043 0.000 1.099 230 F CA -0.117 57.847 58.000 -0.059 0.000 1.185 230 F CB 0.998 39.972 39.000 -0.044 0.000 1.115 230 F HN 0.293 nan 8.300 nan 0.000 0.526 231 V N 8.411 127.880 119.914 -0.742 0.000 2.409 231 V HA 0.383 4.504 4.120 0.002 0.000 0.291 231 V C -2.106 173.444 176.094 -0.908 0.000 1.020 231 V CA -1.892 60.078 62.300 -0.550 0.000 0.848 231 V CB 1.394 33.101 31.823 -0.193 0.000 0.990 231 V HN 0.641 nan 8.190 nan 0.000 0.430 232 P HA 0.202 nan 4.420 nan 0.000 0.272 232 P C 0.647 177.910 177.300 -0.060 0.000 1.223 232 P CA -0.100 62.833 63.100 -0.278 0.000 0.784 232 P CB 1.385 33.150 31.700 0.109 0.000 0.923 233 E N 0.760 120.932 120.200 -0.047 0.000 2.130 233 E HA -0.231 4.120 4.350 0.002 0.000 0.196 233 E C 1.438 178.103 176.600 0.108 0.000 0.998 233 E CA 1.560 57.984 56.400 0.041 0.000 0.806 233 E CB -0.095 29.587 29.700 -0.029 0.000 0.738 233 E HN 0.573 nan 8.360 nan 0.000 0.459 234 E N -0.041 120.204 120.200 0.075 0.000 2.418 234 E HA -0.066 4.285 4.350 0.002 0.000 0.197 234 E C 0.840 177.487 176.600 0.078 0.000 1.026 234 E CA 0.157 56.599 56.400 0.070 0.000 0.862 234 E CB 0.121 29.864 29.700 0.072 0.000 0.799 234 E HN 0.164 nan 8.360 nan 0.000 0.518 235 N N 0.635 119.390 118.700 0.091 0.000 2.251 235 N HA 0.130 4.871 4.740 0.002 0.000 0.217 235 N C -0.167 175.355 175.510 0.020 0.000 1.124 235 N CA 0.021 53.116 53.050 0.076 0.000 0.843 235 N CB 0.702 39.240 38.487 0.085 0.000 1.024 235 N HN 0.169 nan 8.380 nan 0.000 0.501 236 I N 1.151 121.711 120.570 -0.016 0.000 2.532 236 I HA 0.114 4.285 4.170 0.002 0.000 0.292 236 I C -0.438 175.514 176.117 -0.274 0.000 1.014 236 I CA -0.691 60.431 61.300 -0.297 0.000 1.340 236 I CB 0.974 38.768 38.000 -0.345 0.000 1.422 236 I HN -0.219 nan 8.210 nan 0.000 0.528 237 L N 9.899 130.893 121.223 -0.382 0.000 2.369 237 L HA 0.223 4.564 4.340 0.002 0.000 0.279 237 L C -1.495 175.222 176.870 -0.255 0.000 1.108 237 L CA -0.826 53.863 54.840 -0.252 0.000 0.852 237 L CB 0.121 42.063 42.059 -0.195 0.000 1.169 237 L HN 0.475 nan 8.230 nan 0.000 0.452 238 P HA -0.099 nan 4.420 nan 0.000 0.219 238 P C 0.674 177.864 177.300 -0.184 0.000 1.154 238 P CA 1.251 64.171 63.100 -0.300 0.000 0.826 238 P CB 0.134 31.541 31.700 -0.488 0.000 0.795 239 H N -1.163 117.916 119.070 0.014 0.000 2.567 239 H HA 0.415 4.972 4.556 0.002 0.000 0.294 239 H C 0.020 175.336 175.328 -0.020 0.000 1.050 239 H CA -0.586 55.486 56.048 0.040 0.000 1.168 239 H CB 0.241 30.065 29.762 0.103 0.000 1.422 239 H HN -0.077 nan 8.280 nan 0.000 0.562 240 V N 1.470 121.337 119.914 -0.078 0.000 3.000 240 V HA 0.317 4.438 4.120 0.002 0.000 0.300 240 V C -1.678 174.302 176.094 -0.190 0.000 1.251 240 V CA -0.870 61.254 62.300 -0.293 0.000 0.972 240 V CB 2.237 33.464 31.823 -0.993 0.000 1.065 240 V HN 0.395 nan 8.190 nan 0.000 0.431 241 K N 4.291 124.601 120.400 -0.149 0.000 2.512 241 K HA 0.933 5.255 4.320 0.002 0.000 0.263 241 K C 0.172 176.725 176.600 -0.078 0.000 0.966 241 K CA -0.150 56.084 56.287 -0.089 0.000 0.851 241 K CB 2.143 34.604 32.500 -0.064 0.000 1.395 241 K HN 1.868 nan 8.250 nan 0.000 0.440 242 G N 0.581 109.354 108.800 -0.045 0.000 2.553 242 G HA2 -0.276 3.685 3.960 0.002 0.000 0.242 242 G HA3 -0.276 3.685 3.960 0.002 0.000 0.242 242 G C 0.143 174.999 174.900 -0.073 0.000 1.277 242 G CA 0.012 45.083 45.100 -0.048 0.000 0.910 242 G HN 0.416 nan 8.290 nan 0.000 0.576 243 L N 0.737 121.915 121.223 -0.076 0.000 2.141 243 L HA 0.152 4.493 4.340 0.002 0.000 0.209 243 L C 3.005 179.845 176.870 -0.051 0.000 1.094 243 L CA 2.435 57.227 54.840 -0.081 0.000 0.763 243 L CB -0.754 41.250 42.059 -0.092 0.000 0.908 243 L HN 0.654 nan 8.230 nan 0.000 0.437 244 R N -0.556 119.918 120.500 -0.044 0.000 2.211 244 R HA -0.171 4.170 4.340 0.002 0.000 0.240 244 R C 2.044 178.359 176.300 0.025 0.000 1.144 244 R CA 1.166 57.291 56.100 0.043 0.000 0.992 244 R CB -0.392 29.912 30.300 0.006 0.000 0.869 244 R HN 0.482 nan 8.270 nan 0.000 0.462 245 G N 1.191 109.887 108.800 -0.173 0.000 2.575 245 G HA2 -0.183 3.778 3.960 0.002 0.000 0.215 245 G HA3 -0.183 3.778 3.960 0.002 0.000 0.215 245 G C -1.057 173.692 174.900 -0.252 0.000 1.262 245 G CA 0.495 45.452 45.100 -0.238 0.000 0.807 245 G HN 0.296 nan 8.290 nan 0.000 0.567 246 P HA -0.143 nan 4.420 nan 0.000 0.216 246 P C 1.606 178.892 177.300 -0.022 0.000 1.150 246 P CA 0.842 63.598 63.100 -0.572 0.000 0.843 246 P CB -0.133 31.178 31.700 -0.648 0.000 0.787 247 F N 0.273 120.170 119.950 -0.088 0.000 2.186 247 F HA -0.148 4.380 4.527 0.002 0.000 0.299 247 F C 1.941 177.790 175.800 0.083 0.000 1.090 247 F CA 1.599 59.606 58.000 0.013 0.000 1.307 247 F CB -1.055 37.947 39.000 0.003 0.000 1.019 247 F HN -0.145 nan 8.300 nan 0.000 0.489 248 T N -0.104 114.546 114.554 0.160 0.000 2.720 248 T HA -0.245 4.106 4.350 0.002 0.000 0.268 248 T C 2.148 176.857 174.700 0.016 0.000 1.037 248 T CA 1.673 63.850 62.100 0.128 0.000 1.144 248 T CB -1.078 68.039 68.868 0.415 0.000 0.864 248 T HN 0.418 nan 8.240 nan 0.000 0.444 249 C N 1.147 120.493 119.300 0.077 0.000 2.462 249 C HA 0.083 4.544 4.460 0.002 0.000 0.278 249 C C 2.726 177.647 174.990 -0.114 0.000 1.253 249 C CA 0.167 59.188 59.018 0.005 0.000 1.713 249 C CB -1.494 26.274 27.740 0.047 0.000 2.049 249 C HN 0.505 nan 8.230 nan 0.000 0.477 250 L N 1.513 122.655 121.223 -0.136 0.000 2.043 250 L HA -0.199 4.142 4.340 0.002 0.000 0.212 250 L C 2.474 179.248 176.870 -0.160 0.000 1.075 250 L CA 2.095 56.862 54.840 -0.123 0.000 0.752 250 L CB -0.937 41.087 42.059 -0.059 0.000 0.891 250 L HN 0.456 nan 8.230 nan 0.000 0.432 251 N N -0.371 118.122 118.700 -0.345 0.000 2.120 251 N HA -0.212 4.529 4.740 0.002 0.000 0.188 251 N C 2.032 177.507 175.510 -0.059 0.000 1.024 251 N CA 1.630 54.502 53.050 -0.297 0.000 0.852 251 N CB -0.064 38.123 38.487 -0.500 0.000 1.003 251 N HN 0.174 nan 8.380 nan 0.000 0.424 252 S N -0.834 114.867 115.700 0.001 0.000 2.368 252 S HA 0.009 4.480 4.470 0.002 0.000 0.224 252 S C 1.977 176.732 174.600 0.259 0.000 1.029 252 S CA 1.226 59.535 58.200 0.182 0.000 0.988 252 S CB -0.670 62.637 63.200 0.178 0.000 0.838 252 S HN 0.489 nan 8.310 nan 0.000 0.462 253 A N 1.725 124.616 122.820 0.119 0.000 1.902 253 A HA -0.060 4.261 4.320 0.002 0.000 0.217 253 A C 2.246 179.871 177.584 0.068 0.000 1.181 253 A CA 1.489 53.587 52.037 0.101 0.000 0.623 253 A CB -0.645 18.354 19.000 -0.002 0.000 0.818 253 A HN 0.636 nan 8.150 nan 0.000 0.443 254 R N -2.111 118.417 120.500 0.046 0.000 2.096 254 R HA -0.151 4.190 4.340 0.002 0.000 0.235 254 R C 2.151 178.462 176.300 0.019 0.000 1.127 254 R CA 1.638 57.746 56.100 0.013 0.000 0.968 254 R CB -0.581 29.712 30.300 -0.012 0.000 0.861 254 R HN 0.748 nan 8.270 nan 0.000 0.440 255 Y N 0.889 121.174 120.300 -0.025 0.000 2.128 255 Y HA -0.212 4.339 4.550 0.002 0.000 0.284 255 Y C 2.338 178.246 175.900 0.012 0.000 1.154 255 Y CA 1.756 59.859 58.100 0.006 0.000 1.149 255 Y CB -0.602 37.882 38.460 0.041 0.000 0.976 255 Y HN 0.059 nan 8.280 nan 0.000 0.505 256 G N 0.552 109.177 108.800 -0.291 0.000 2.440 256 G HA2 -0.268 3.693 3.960 0.002 0.000 0.218 256 G HA3 -0.268 3.693 3.960 0.002 0.000 0.218 256 G C 1.636 176.377 174.900 -0.266 0.000 1.154 256 G CA 1.400 46.151 45.100 -0.581 0.000 0.767 256 G HN 0.531 nan 8.290 nan 0.000 0.552 257 I N 1.459 121.945 120.570 -0.139 0.000 2.286 257 I HA -0.150 4.021 4.170 0.002 0.000 0.248 257 I C 3.254 179.310 176.117 -0.101 0.000 1.115 257 I CA 0.818 62.066 61.300 -0.087 0.000 1.392 257 I CB -0.184 37.782 38.000 -0.057 0.000 1.065 257 I HN 0.233 nan 8.210 nan 0.000 0.418 258 A N 0.247 122.980 122.820 -0.145 0.000 1.940 258 A HA -0.231 4.090 4.320 0.002 0.000 0.219 258 A C 1.952 179.384 177.584 -0.253 0.000 1.176 258 A CA 1.584 53.498 52.037 -0.204 0.000 0.631 258 A CB -0.947 17.910 19.000 -0.240 0.000 0.814 258 A HN 0.545 nan 8.150 nan 0.000 0.446 259 W N -0.550 120.548 121.300 -0.337 0.000 2.441 259 W HA 0.148 4.809 4.660 0.001 0.000 0.302 259 W C 2.592 178.999 176.519 -0.187 0.000 1.191 259 W CA 1.013 58.193 57.345 -0.275 0.000 1.327 259 W CB -0.812 28.431 29.460 -0.362 0.000 1.128 259 W HN 0.333 nan 8.180 nan 0.000 0.522 260 G N 0.396 109.237 108.800 0.068 0.000 2.446 260 G HA2 -0.278 3.683 3.960 0.002 0.000 0.217 260 G HA3 -0.278 3.683 3.960 0.002 0.000 0.217 260 G C 1.667 176.573 174.900 0.010 0.000 1.168 260 G CA 1.696 46.815 45.100 0.031 0.000 0.771 260 G HN 0.299 nan 8.290 nan 0.000 0.551 261 A N 0.411 123.215 122.820 -0.027 0.000 1.978 261 A HA 0.072 4.393 4.320 0.002 0.000 0.220 261 A C 2.403 179.954 177.584 -0.055 0.000 1.170 261 A CA 1.340 53.353 52.037 -0.040 0.000 0.636 261 A CB -0.336 18.630 19.000 -0.058 0.000 0.810 261 A HN 0.389 nan 8.150 nan 0.000 0.448 262 L N -1.005 120.179 121.223 -0.064 0.000 2.217 262 L HA -0.032 4.309 4.340 0.002 0.000 0.211 262 L C 2.721 179.570 176.870 -0.035 0.000 1.107 262 L CA 0.688 55.485 54.840 -0.072 0.000 0.783 262 L CB -0.636 41.356 42.059 -0.112 0.000 0.919 262 L HN 0.464 nan 8.230 nan 0.000 0.442 263 G N -0.050 108.751 108.800 0.002 0.000 2.404 263 G HA2 -0.225 3.736 3.960 0.002 0.000 0.215 263 G HA3 -0.225 3.736 3.960 0.002 0.000 0.215 263 G C 1.806 176.667 174.900 -0.065 0.000 1.174 263 G CA 0.774 45.882 45.100 0.015 0.000 0.780 263 G HN 0.431 nan 8.290 nan 0.000 0.537 264 A N 1.236 123.999 122.820 -0.094 0.000 1.902 264 A HA 0.250 4.571 4.320 0.002 0.000 0.217 264 A C 2.825 180.203 177.584 -0.343 0.000 1.181 264 A CA 2.295 54.151 52.037 -0.300 0.000 0.623 264 A CB -0.835 18.107 19.000 -0.097 0.000 0.818 264 A HN 0.792 nan 8.150 nan 0.000 0.443 265 A N -0.257 122.462 122.820 -0.169 0.000 1.908 265 A HA -0.204 4.117 4.320 0.002 0.000 0.218 265 A C 1.929 179.460 177.584 -0.089 0.000 1.181 265 A CA 1.799 53.764 52.037 -0.120 0.000 0.627 265 A CB -0.577 18.368 19.000 -0.091 0.000 0.818 265 A HN 0.639 nan 8.150 nan 0.000 0.445 266 E N -0.261 119.880 120.200 -0.097 0.000 2.051 266 E HA -0.130 4.221 4.350 0.002 0.000 0.192 266 E C 2.376 178.729 176.600 -0.411 0.000 0.991 266 E CA 1.343 57.643 56.400 -0.168 0.000 0.799 266 E CB -0.158 29.467 29.700 -0.124 0.000 0.748 266 E HN 0.582 nan 8.360 nan 0.000 0.449 267 S N 0.275 115.819 115.700 -0.262 0.000 2.359 267 S HA -0.214 4.257 4.470 0.002 0.000 0.224 267 S C 2.178 176.710 174.600 -0.114 0.000 1.035 267 S CA 1.115 59.216 58.200 -0.166 0.000 1.018 267 S CB -0.398 62.671 63.200 -0.219 0.000 0.876 267 S HN 0.411 nan 8.310 nan 0.000 0.448 268 C N 0.156 119.357 119.300 -0.166 0.000 2.413 268 C HA -0.114 4.347 4.460 0.002 0.000 0.276 268 C C 2.294 177.338 174.990 0.090 0.000 1.236 268 C CA 0.502 59.494 59.018 -0.042 0.000 1.735 268 C CB -1.493 26.208 27.740 -0.066 0.000 2.031 268 C HN 0.869 nan 8.230 nan 0.000 0.474 269 W N 1.352 122.581 121.300 -0.119 0.000 2.358 269 W HA -0.131 4.529 4.660 0.001 0.000 0.303 269 W C 2.401 178.985 176.519 0.109 0.000 1.208 269 W CA 1.840 59.167 57.345 -0.030 0.000 1.274 269 W CB -1.173 28.252 29.460 -0.059 0.000 1.138 269 W HN 0.546 nan 8.180 nan 0.000 0.515 270 H N -0.823 118.216 119.070 -0.052 0.000 2.357 270 H HA -0.122 4.435 4.556 0.002 0.000 0.301 270 H C 2.337 177.638 175.328 -0.045 0.000 1.082 270 H CA 1.732 57.680 56.048 -0.167 0.000 1.342 270 H CB -0.188 29.516 29.762 -0.096 0.000 1.389 270 H HN 0.125 nan 8.280 nan 0.000 0.511 271 I N 0.732 121.384 120.570 0.136 0.000 2.179 271 I HA -0.254 3.917 4.170 0.002 0.000 0.242 271 I C 2.793 178.980 176.117 0.117 0.000 1.088 271 I CA 0.872 62.237 61.300 0.108 0.000 1.357 271 I CB -0.295 37.756 38.000 0.084 0.000 1.051 271 I HN 0.297 nan 8.210 nan 0.000 0.409 272 A N 0.713 123.602 122.820 0.116 0.000 1.902 272 A HA -0.253 4.068 4.320 0.002 0.000 0.217 272 A C 2.449 180.128 177.584 0.157 0.000 1.181 272 A CA 1.806 53.922 52.037 0.132 0.000 0.623 272 A CB -0.663 18.419 19.000 0.136 0.000 0.818 272 A HN 0.369 nan 8.150 nan 0.000 0.443 273 R N -0.942 119.621 120.500 0.105 0.000 2.073 273 R HA -0.209 4.132 4.340 0.002 0.000 0.234 273 R C 2.389 178.674 176.300 -0.025 0.000 1.134 273 R CA 1.944 58.048 56.100 0.007 0.000 0.952 273 R CB -0.312 29.883 30.300 -0.175 0.000 0.850 273 R HN 0.497 nan 8.270 nan 0.000 0.433 274 Q N -0.190 119.604 119.800 -0.009 0.000 2.084 274 Q HA -0.224 4.117 4.340 0.002 0.000 0.202 274 Q C 1.782 177.801 176.000 0.031 0.000 0.978 274 Q CA 2.031 57.828 55.803 -0.010 0.000 0.844 274 Q CB -0.647 28.100 28.738 0.015 0.000 0.898 274 Q HN 0.537 nan 8.270 nan 0.000 0.426 275 Y N 0.043 120.333 120.300 -0.017 0.000 2.114 275 Y HA -0.248 4.303 4.550 0.002 0.000 0.282 275 Y C 1.942 177.833 175.900 -0.015 0.000 1.165 275 Y CA 2.202 60.297 58.100 -0.009 0.000 1.148 275 Y CB -0.219 38.244 38.460 0.006 0.000 0.972 275 Y HN 0.125 nan 8.280 nan 0.000 0.504 276 V N -2.684 117.284 119.914 0.089 0.000 2.871 276 V HA -0.112 4.009 4.120 0.002 0.000 0.256 276 V C 1.960 178.004 176.094 -0.083 0.000 1.082 276 V CA 1.047 63.346 62.300 -0.000 0.000 1.105 276 V CB -0.725 31.152 31.823 0.089 0.000 0.713 276 V HN 0.319 nan 8.190 nan 0.000 0.473 277 L N 1.261 122.432 121.223 -0.088 0.000 2.056 277 L HA -0.009 4.332 4.340 0.002 0.000 0.207 277 L C 2.170 178.969 176.870 -0.119 0.000 1.078 277 L CA 1.892 56.670 54.840 -0.102 0.000 0.749 277 L CB -1.243 40.751 42.059 -0.109 0.000 0.901 277 L HN 0.358 nan 8.230 nan 0.000 0.433 278 D N -1.258 119.049 120.400 -0.154 0.000 2.347 278 D HA -0.018 4.623 4.640 0.002 0.000 0.213 278 D C 0.755 176.926 176.300 -0.216 0.000 0.985 278 D CA 0.384 54.283 54.000 -0.167 0.000 0.879 278 D CB 0.103 40.806 40.800 -0.163 0.000 0.919 278 D HN 0.009 nan 8.370 nan 0.000 0.526 279 R N 0.509 120.839 120.500 -0.284 0.000 2.312 279 R HA 0.536 4.877 4.340 0.002 0.000 0.311 279 R C 0.206 176.417 176.300 -0.148 0.000 1.004 279 R CA -0.225 55.708 56.100 -0.278 0.000 0.902 279 R CB 0.661 30.709 30.300 -0.420 0.000 1.073 279 R HN -0.111 nan 8.270 nan 0.000 0.457 280 K N 2.045 122.380 120.400 -0.109 0.000 2.206 280 K HA 0.557 4.878 4.320 0.002 0.000 0.264 280 K C -0.586 175.985 176.600 -0.047 0.000 0.967 280 K CA -0.645 55.602 56.287 -0.066 0.000 0.844 280 K CB 1.502 33.971 32.500 -0.053 0.000 1.099 280 K HN 0.619 nan 8.250 nan 0.000 0.441 281 Q N -0.197 119.585 119.800 -0.030 0.000 2.456 281 Q HA 0.756 5.097 4.340 0.002 0.000 0.283 281 Q C 0.898 176.892 176.000 -0.010 0.000 1.084 281 Q CA 0.471 56.266 55.803 -0.013 0.000 0.801 281 Q CB 1.491 30.228 28.738 -0.001 0.000 1.434 281 Q HN 1.504 nan 8.270 nan 0.000 0.419 282 F N -0.018 119.929 119.950 -0.005 0.000 2.784 282 F HA -0.385 4.143 4.527 0.002 0.000 0.231 282 F C 1.183 176.977 175.800 -0.009 0.000 1.467 282 F CA 2.343 60.340 58.000 -0.005 0.000 1.913 282 F CB -1.791 37.207 39.000 -0.003 0.000 0.488 282 F HN 0.724 nan 8.300 nan 0.000 0.282 283 G N -0.275 108.519 108.800 -0.010 0.000 2.709 283 G HA2 0.579 4.540 3.960 0.002 0.000 0.208 283 G HA3 0.579 4.540 3.960 0.002 0.000 0.208 283 G C 0.827 175.717 174.900 -0.017 0.000 1.129 283 G CA 2.022 47.115 45.100 -0.013 0.000 0.793 283 G HN 2.073 nan 8.290 nan 0.000 0.524 284 R N 0.049 120.538 120.500 -0.018 0.000 2.915 284 R HA 0.825 5.166 4.340 0.002 0.000 0.238 284 R C -2.947 173.334 176.300 -0.031 0.000 1.268 284 R CA -1.659 54.427 56.100 -0.023 0.000 1.083 284 R CB -0.816 29.472 30.300 -0.019 0.000 1.328 284 R HN 0.082 nan 8.270 nan 0.000 0.507 285 P HA 0.205 nan 4.420 nan 0.000 0.272 285 P C 0.335 177.613 177.300 -0.036 0.000 1.230 285 P CA -0.596 62.475 63.100 -0.048 0.000 0.788 285 P CB 0.471 32.140 31.700 -0.053 0.000 0.949 286 L N 1.801 123.000 121.223 -0.041 0.000 2.127 286 L HA -0.178 4.163 4.340 0.002 0.000 0.211 286 L C 2.354 179.222 176.870 -0.003 0.000 1.089 286 L CA 2.024 56.858 54.840 -0.011 0.000 0.757 286 L CB -1.909 40.155 42.059 0.009 0.000 0.899 286 L HN 0.429 nan 8.230 nan 0.000 0.434 287 A N -0.729 122.080 122.820 -0.019 0.000 2.131 287 A HA -0.123 4.198 4.320 0.002 0.000 0.220 287 A C 2.461 180.037 177.584 -0.014 0.000 1.158 287 A CA 1.437 53.463 52.037 -0.018 0.000 0.665 287 A CB -0.700 18.275 19.000 -0.042 0.000 0.795 287 A HN 0.383 nan 8.150 nan 0.000 0.460 288 A N 0.041 122.852 122.820 -0.015 0.000 2.067 288 A HA -0.082 4.239 4.320 0.002 0.000 0.219 288 A C 1.315 178.896 177.584 -0.004 0.000 1.158 288 A CA 0.698 52.728 52.037 -0.011 0.000 0.661 288 A CB -0.462 18.530 19.000 -0.013 0.000 0.801 288 A HN 0.560 nan 8.150 nan 0.000 0.452 289 N N 0.341 119.042 118.700 0.002 0.000 2.475 289 N HA 0.061 4.802 4.740 0.002 0.000 0.267 289 N C 0.478 175.993 175.510 0.009 0.000 1.169 289 N CA 0.108 53.162 53.050 0.007 0.000 0.947 289 N CB 0.922 39.417 38.487 0.014 0.000 1.061 289 N HN 0.403 nan 8.380 nan 0.000 0.466 290 Q N 2.506 122.309 119.800 0.006 0.000 2.167 290 Q HA -0.086 4.255 4.340 0.002 0.000 0.202 290 Q C 1.494 177.499 176.000 0.008 0.000 0.970 290 Q CA 1.314 57.120 55.803 0.005 0.000 0.855 290 Q CB 0.084 28.823 28.738 0.002 0.000 0.911 290 Q HN 0.586 nan 8.270 nan 0.000 0.438 291 L N -0.009 121.220 121.223 0.010 0.000 2.017 291 L HA -0.193 4.148 4.340 0.002 0.000 0.208 291 L C 2.020 178.901 176.870 0.017 0.000 1.073 291 L CA 1.420 56.267 54.840 0.011 0.000 0.745 291 L CB -0.788 41.278 42.059 0.011 0.000 0.894 291 L HN 0.274 nan 8.230 nan 0.000 0.432 292 I N -0.611 119.974 120.570 0.025 0.000 2.179 292 I HA -0.272 3.899 4.170 0.002 0.000 0.242 292 I C 2.543 178.683 176.117 0.039 0.000 1.088 292 I CA 1.330 62.653 61.300 0.037 0.000 1.357 292 I CB -1.224 36.803 38.000 0.044 0.000 1.051 292 I HN 0.460 nan 8.210 nan 0.000 0.409 293 Q N 0.322 120.140 119.800 0.029 0.000 2.124 293 Q HA -0.228 4.114 4.340 0.002 0.000 0.202 293 Q C 2.274 178.291 176.000 0.029 0.000 0.977 293 Q CA 1.291 57.113 55.803 0.032 0.000 0.850 293 Q CB -0.127 28.622 28.738 0.019 0.000 0.901 293 Q HN 0.473 nan 8.270 nan 0.000 0.429 294 K N 1.429 121.839 120.400 0.016 0.000 2.057 294 K HA -0.159 4.162 4.320 0.002 0.000 0.206 294 K C 1.780 178.380 176.600 -0.000 0.000 1.050 294 K CA 1.173 57.463 56.287 0.005 0.000 0.935 294 K CB 0.131 32.631 32.500 -0.000 0.000 0.715 294 K HN 0.021 nan 8.250 nan 0.000 0.439 295 K N 0.634 121.038 120.400 0.007 0.000 2.057 295 K HA -0.115 4.206 4.320 0.002 0.000 0.207 295 K C 2.201 178.800 176.600 -0.002 0.000 1.049 295 K CA 1.411 57.698 56.287 0.000 0.000 0.931 295 K CB -0.145 32.365 32.500 0.016 0.000 0.714 295 K HN 0.138 nan 8.250 nan 0.000 0.440 296 L N 0.488 121.739 121.223 0.047 0.000 2.046 296 L HA -0.174 4.167 4.340 0.002 0.000 0.208 296 L C 2.584 179.468 176.870 0.024 0.000 1.077 296 L CA 1.069 55.970 54.840 0.102 0.000 0.747 296 L CB -0.538 41.635 42.059 0.190 0.000 0.896 296 L HN 0.218 nan 8.230 nan 0.000 0.432 297 A N -0.222 122.611 122.820 0.022 0.000 1.902 297 A HA -0.233 4.089 4.320 0.002 0.000 0.217 297 A C 1.925 179.461 177.584 -0.081 0.000 1.181 297 A CA 1.968 54.005 52.037 0.001 0.000 0.623 297 A CB -0.489 18.519 19.000 0.013 0.000 0.818 297 A HN 0.349 nan 8.150 nan 0.000 0.443 298 D N -0.352 119.993 120.400 -0.090 0.000 2.144 298 D HA -0.125 4.516 4.640 0.002 0.000 0.199 298 D C 2.039 178.213 176.300 -0.210 0.000 0.984 298 D CA 1.415 55.343 54.000 -0.120 0.000 0.834 298 D CB -0.343 40.407 40.800 -0.084 0.000 0.955 298 D HN 0.527 nan 8.370 nan 0.000 0.465 299 M N 0.165 119.584 119.600 -0.302 0.000 2.086 299 M HA -0.169 4.312 4.480 0.002 0.000 0.261 299 M C 2.360 178.191 176.300 -0.783 0.000 1.067 299 M CA 1.271 56.268 55.300 -0.505 0.000 1.116 299 M CB -0.310 31.914 32.600 -0.627 0.000 1.348 299 M HN -0.049 nan 8.290 nan 0.000 0.407 300 Q N 0.029 119.267 119.800 -0.936 0.000 2.061 300 Q HA -0.175 4.166 4.340 0.002 0.000 0.204 300 Q C 1.775 177.547 176.000 -0.381 0.000 0.984 300 Q CA 2.229 57.507 55.803 -0.874 0.000 0.846 300 Q CB -0.020 28.546 28.738 -0.288 0.000 0.902 300 Q HN 0.473 nan 8.270 nan 0.000 0.421 301 T N 1.153 115.564 114.554 -0.239 0.000 2.674 301 T HA -0.133 4.218 4.350 0.002 0.000 0.265 301 T C 1.563 176.172 174.700 -0.152 0.000 1.039 301 T CA 1.365 63.385 62.100 -0.134 0.000 1.150 301 T CB -0.206 68.606 68.868 -0.093 0.000 0.864 301 T HN 0.309 nan 8.240 nan 0.000 0.427 302 E N 0.776 120.867 120.200 -0.183 0.000 2.110 302 E HA -0.009 4.342 4.350 0.002 0.000 0.193 302 E C 2.256 178.753 176.600 -0.172 0.000 0.988 302 E CA 0.698 57.002 56.400 -0.159 0.000 0.804 302 E CB -0.421 29.187 29.700 -0.152 0.000 0.745 302 E HN 0.510 nan 8.360 nan 0.000 0.458 303 I N 0.842 121.276 120.570 -0.227 0.000 2.179 303 I HA -0.246 3.925 4.170 0.002 0.000 0.242 303 I C 2.293 178.329 176.117 -0.134 0.000 1.088 303 I CA 1.293 62.480 61.300 -0.188 0.000 1.357 303 I CB -0.301 37.564 38.000 -0.226 0.000 1.051 303 I HN 0.067 nan 8.210 nan 0.000 0.409 304 T N 1.256 115.738 114.554 -0.121 0.000 2.708 304 T HA -0.127 4.224 4.350 0.002 0.000 0.266 304 T C 1.938 176.591 174.700 -0.078 0.000 1.037 304 T CA 1.257 63.319 62.100 -0.064 0.000 1.146 304 T CB -0.329 68.524 68.868 -0.025 0.000 0.865 304 T HN 0.220 nan 8.240 nan 0.000 0.435 305 L N 0.658 121.828 121.223 -0.088 0.000 2.046 305 L HA -0.024 4.317 4.340 0.002 0.000 0.208 305 L C 3.033 179.831 176.870 -0.121 0.000 1.077 305 L CA 1.383 56.169 54.840 -0.089 0.000 0.747 305 L CB -1.053 40.958 42.059 -0.080 0.000 0.896 305 L HN 0.362 nan 8.230 nan 0.000 0.432 306 G N 0.082 108.794 108.800 -0.146 0.000 2.422 306 G HA2 -0.210 3.751 3.960 0.002 0.000 0.218 306 G HA3 -0.210 3.751 3.960 0.002 0.000 0.218 306 G C 1.654 176.394 174.900 -0.266 0.000 1.146 306 G CA 0.521 45.507 45.100 -0.191 0.000 0.769 306 G HN 0.213 nan 8.290 nan 0.000 0.547 307 L N -0.068 121.007 121.223 -0.246 0.000 2.056 307 L HA -0.102 4.239 4.340 0.002 0.000 0.207 307 L C 3.199 179.907 176.870 -0.271 0.000 1.078 307 L CA 0.917 55.566 54.840 -0.318 0.000 0.749 307 L CB -0.345 41.607 42.059 -0.179 0.000 0.901 307 L HN 0.168 nan 8.230 nan 0.000 0.433 308 Q N -0.171 119.535 119.800 -0.157 0.000 2.181 308 Q HA -0.162 4.179 4.340 0.002 0.000 0.205 308 Q C 2.207 178.137 176.000 -0.117 0.000 0.980 308 Q CA 1.702 57.444 55.803 -0.102 0.000 0.862 308 Q CB -0.645 28.054 28.738 -0.065 0.000 0.905 308 Q HN 0.601 nan 8.270 nan 0.000 0.429 309 G N 0.863 109.567 108.800 -0.160 0.000 2.414 309 G HA2 -0.154 3.807 3.960 0.002 0.000 0.215 309 G HA3 -0.154 3.807 3.960 0.002 0.000 0.215 309 G C 1.619 176.407 174.900 -0.186 0.000 1.188 309 G CA 1.421 46.432 45.100 -0.149 0.000 0.783 309 G HN 0.365 nan 8.290 nan 0.000 0.537 310 V N -0.576 119.109 119.914 -0.383 0.000 2.515 310 V HA -0.037 4.084 4.120 0.002 0.000 0.250 310 V C 2.593 178.564 176.094 -0.204 0.000 1.058 310 V CA 1.555 63.531 62.300 -0.540 0.000 1.064 310 V CB -0.730 30.242 31.823 -1.419 0.000 0.675 310 V HN 0.212 nan 8.190 nan 0.000 0.461 311 L N 1.000 122.111 121.223 -0.188 0.000 1.994 311 L HA -0.049 4.292 4.340 0.002 0.000 0.208 311 L C 2.662 179.639 176.870 0.179 0.000 1.071 311 L CA 2.519 57.474 54.840 0.192 0.000 0.745 311 L CB -1.049 41.081 42.059 0.119 0.000 0.892 311 L HN 0.388 nan 8.230 nan 0.000 0.431 312 R N -0.252 120.288 120.500 0.068 0.000 2.083 312 R HA -0.203 4.138 4.340 0.002 0.000 0.237 312 R C 2.193 178.540 176.300 0.077 0.000 1.137 312 R CA 2.217 58.352 56.100 0.058 0.000 0.951 312 R CB -1.346 28.962 30.300 0.014 0.000 0.851 312 R HN 0.468 nan 8.270 nan 0.000 0.434 313 L N 0.157 121.430 121.223 0.084 0.000 2.042 313 L HA -0.000 4.341 4.340 0.002 0.000 0.210 313 L C 2.084 179.026 176.870 0.121 0.000 1.076 313 L CA 2.513 57.411 54.840 0.097 0.000 0.749 313 L CB -1.322 40.820 42.059 0.139 0.000 0.893 313 L HN 0.330 nan 8.230 nan 0.000 0.432 314 G N -0.779 108.210 108.800 0.315 0.000 2.421 314 G HA2 -0.251 3.711 3.960 0.002 0.000 0.216 314 G HA3 -0.251 3.711 3.960 0.002 0.000 0.216 314 G C 1.652 176.650 174.900 0.165 0.000 1.171 314 G CA 0.582 45.870 45.100 0.313 0.000 0.775 314 G HN 0.308 nan 8.290 nan 0.000 0.543 315 R N -0.045 120.552 120.500 0.163 0.000 2.091 315 R HA -0.011 4.330 4.340 0.002 0.000 0.238 315 R C 2.670 179.006 176.300 0.060 0.000 1.136 315 R CA 1.287 57.451 56.100 0.107 0.000 0.959 315 R CB -0.711 29.645 30.300 0.092 0.000 0.856 315 R HN 0.439 nan 8.270 nan 0.000 0.437 316 M N 0.268 119.888 119.600 0.033 0.000 2.175 316 M HA -0.138 4.343 4.480 0.002 0.000 0.264 316 M C 2.127 178.403 176.300 -0.041 0.000 1.063 316 M CA 1.650 56.949 55.300 -0.001 0.000 1.119 316 M CB -0.241 32.353 32.600 -0.010 0.000 1.377 316 M HN 0.012 nan 8.290 nan 0.000 0.415 317 K N 0.213 120.543 120.400 -0.117 0.000 2.097 317 K HA -0.132 4.189 4.320 0.002 0.000 0.205 317 K C 1.527 178.100 176.600 -0.045 0.000 1.050 317 K CA 1.143 57.270 56.287 -0.266 0.000 0.938 317 K CB -0.101 31.931 32.500 -0.781 0.000 0.718 317 K HN 0.243 nan 8.250 nan 0.000 0.442 318 D N 0.932 121.395 120.400 0.106 0.000 2.178 318 D HA -0.139 4.502 4.640 0.002 0.000 0.201 318 D C 1.432 177.794 176.300 0.103 0.000 0.980 318 D CA 1.187 55.301 54.000 0.190 0.000 0.842 318 D CB 0.067 40.964 40.800 0.163 0.000 0.948 318 D HN 0.315 nan 8.370 nan 0.000 0.472 319 E N -0.426 119.810 120.200 0.061 0.000 2.358 319 E HA 0.114 4.465 4.350 0.002 0.000 0.195 319 E C 1.262 177.883 176.600 0.036 0.000 1.010 319 E CA 0.507 56.933 56.400 0.043 0.000 0.856 319 E CB 0.201 29.919 29.700 0.031 0.000 0.795 319 E HN 0.259 nan 8.360 nan 0.000 0.504 320 G N 1.504 110.320 108.800 0.027 0.000 2.147 320 G HA2 -0.316 3.645 3.960 0.002 0.000 0.244 320 G HA3 -0.316 3.645 3.960 0.002 0.000 0.244 320 G C 0.946 175.850 174.900 0.007 0.000 1.005 320 G CA 0.779 45.890 45.100 0.018 0.000 0.713 320 G HN 0.399 nan 8.290 nan 0.000 0.515 321 T N -2.915 111.639 114.554 -0.000 0.000 3.086 321 T HA 0.627 4.978 4.350 0.002 0.000 0.250 321 T C 1.100 175.794 174.700 -0.010 0.000 1.074 321 T CA 1.164 63.264 62.100 -0.000 0.000 0.988 321 T CB 0.779 69.650 68.868 0.005 0.000 0.988 321 T HN 1.603 nan 8.240 nan 0.000 0.530 322 A N 1.512 124.313 122.820 -0.032 0.000 2.279 322 A HA 0.797 5.118 4.320 0.002 0.000 0.306 322 A C 0.681 178.249 177.584 -0.027 0.000 1.300 322 A CA -0.672 51.338 52.037 -0.045 0.000 0.925 322 A CB -0.262 18.676 19.000 -0.103 0.000 1.152 322 A HN 0.676 nan 8.150 nan 0.000 0.544 323 A N 2.380 125.198 122.820 -0.003 0.000 2.351 323 A HA 0.441 4.762 4.320 0.002 0.000 0.257 323 A C 1.268 178.872 177.584 0.032 0.000 1.087 323 A CA -0.209 51.840 52.037 0.020 0.000 0.798 323 A CB 0.222 19.237 19.000 0.025 0.000 1.033 323 A HN 1.105 nan 8.150 nan 0.000 0.488 324 V N 1.469 121.429 119.914 0.077 0.000 2.594 324 V HA -0.182 3.939 4.120 0.002 0.000 0.253 324 V C 2.190 178.357 176.094 0.121 0.000 1.069 324 V CA 2.394 64.767 62.300 0.122 0.000 1.082 324 V CB -1.094 30.895 31.823 0.278 0.000 0.680 324 V HN 0.968 nan 8.190 nan 0.000 0.469 325 E N 0.227 120.487 120.200 0.100 0.000 2.267 325 E HA -0.159 4.192 4.350 0.002 0.000 0.197 325 E C 1.911 178.542 176.600 0.053 0.000 0.998 325 E CA 1.088 57.541 56.400 0.087 0.000 0.830 325 E CB -0.332 29.404 29.700 0.061 0.000 0.751 325 E HN 0.630 nan 8.360 nan 0.000 0.491 326 I N 0.202 120.791 120.570 0.031 0.000 2.546 326 I HA -0.193 3.978 4.170 0.002 0.000 0.255 326 I C 1.793 177.909 176.117 -0.002 0.000 1.163 326 I CA 0.979 62.284 61.300 0.008 0.000 1.457 326 I CB -0.365 37.635 38.000 0.000 0.000 1.092 326 I HN 0.072 nan 8.210 nan 0.000 0.434 327 T N 0.064 114.622 114.554 0.007 0.000 2.777 327 T HA -0.135 4.216 4.350 0.002 0.000 0.266 327 T C 2.180 176.817 174.700 -0.105 0.000 1.040 327 T CA 1.632 63.726 62.100 -0.011 0.000 1.141 327 T CB -0.175 68.697 68.868 0.005 0.000 0.868 327 T HN 0.259 nan 8.240 nan 0.000 0.444 328 S N 1.183 116.839 115.700 -0.073 0.000 2.365 328 S HA -0.063 4.408 4.470 0.002 0.000 0.225 328 S C 2.039 176.561 174.600 -0.130 0.000 1.039 328 S CA 1.043 59.154 58.200 -0.147 0.000 1.033 328 S CB -0.505 62.794 63.200 0.164 0.000 0.887 328 S HN 0.415 nan 8.310 nan 0.000 0.447 329 I N 1.092 121.631 120.570 -0.053 0.000 2.151 329 I HA -0.244 3.927 4.170 0.002 0.000 0.243 329 I C 2.308 178.370 176.117 -0.092 0.000 1.080 329 I CA 1.163 62.431 61.300 -0.052 0.000 1.339 329 I CB -0.305 37.674 38.000 -0.035 0.000 1.039 329 I HN 0.322 nan 8.210 nan 0.000 0.409 330 M N -0.184 119.353 119.600 -0.105 0.000 2.236 330 M HA -0.100 4.381 4.480 0.002 0.000 0.266 330 M C 2.196 178.399 176.300 -0.163 0.000 1.070 330 M CA 1.371 56.591 55.300 -0.133 0.000 1.137 330 M CB -1.158 31.366 32.600 -0.127 0.000 1.378 330 M HN 0.117 nan 8.290 nan 0.000 0.426 331 K N 0.659 120.944 120.400 -0.192 0.000 2.097 331 K HA -0.147 4.174 4.320 0.002 0.000 0.206 331 K C 2.163 178.658 176.600 -0.174 0.000 1.049 331 K CA 1.183 57.345 56.287 -0.207 0.000 0.933 331 K CB -0.143 32.185 32.500 -0.286 0.000 0.717 331 K HN 0.245 nan 8.250 nan 0.000 0.442 332 R N 0.651 121.042 120.500 -0.181 0.000 2.073 332 R HA -0.165 4.176 4.340 0.002 0.000 0.234 332 R C 2.110 178.369 176.300 -0.068 0.000 1.134 332 R CA 2.093 58.146 56.100 -0.079 0.000 0.952 332 R CB -0.284 29.997 30.300 -0.031 0.000 0.850 332 R HN 0.209 nan 8.270 nan 0.000 0.433 333 N N -0.333 118.315 118.700 -0.087 0.000 2.106 333 N HA -0.104 4.637 4.740 0.002 0.000 0.188 333 N C 1.588 177.038 175.510 -0.100 0.000 1.029 333 N CA 1.991 54.989 53.050 -0.087 0.000 0.848 333 N CB -0.041 38.389 38.487 -0.094 0.000 1.007 333 N HN 0.054 nan 8.380 nan 0.000 0.423 334 S N -0.666 114.960 115.700 -0.124 0.000 2.356 334 S HA -0.143 4.328 4.470 0.002 0.000 0.223 334 S C 2.222 176.765 174.600 -0.095 0.000 1.032 334 S CA 1.210 59.331 58.200 -0.131 0.000 1.005 334 S CB -0.603 62.497 63.200 -0.167 0.000 0.867 334 S HN 0.546 nan 8.310 nan 0.000 0.449 335 C N 1.280 120.534 119.300 -0.078 0.000 2.429 335 C HA 0.015 4.476 4.460 0.002 0.000 0.277 335 C C 2.935 177.901 174.990 -0.040 0.000 1.262 335 C CA 0.499 59.488 59.018 -0.048 0.000 1.733 335 C CB -1.755 25.967 27.740 -0.029 0.000 2.010 335 C HN 0.734 nan 8.230 nan 0.000 0.483 336 G N 0.464 109.239 108.800 -0.042 0.000 2.404 336 G HA2 -0.169 3.792 3.960 0.002 0.000 0.215 336 G HA3 -0.169 3.792 3.960 0.002 0.000 0.215 336 G C 1.728 176.600 174.900 -0.046 0.000 1.174 336 G CA 0.647 45.725 45.100 -0.036 0.000 0.780 336 G HN 0.437 nan 8.290 nan 0.000 0.537 337 K N 0.919 121.282 120.400 -0.063 0.000 2.097 337 K HA 0.100 4.421 4.320 0.002 0.000 0.205 337 K C 2.866 179.422 176.600 -0.074 0.000 1.050 337 K CA 1.057 57.299 56.287 -0.074 0.000 0.938 337 K CB -0.605 31.840 32.500 -0.093 0.000 0.718 337 K HN 0.264 nan 8.250 nan 0.000 0.442 338 A N 1.581 124.359 122.820 -0.071 0.000 1.902 338 A HA -0.149 4.172 4.320 0.002 0.000 0.217 338 A C 2.188 179.743 177.584 -0.048 0.000 1.181 338 A CA 1.179 53.176 52.037 -0.067 0.000 0.623 338 A CB -0.525 18.437 19.000 -0.063 0.000 0.818 338 A HN 0.219 nan 8.150 nan 0.000 0.443 339 L N 0.202 121.403 121.223 -0.036 0.000 2.017 339 L HA -0.165 4.176 4.340 0.002 0.000 0.208 339 L C 1.618 178.472 176.870 -0.027 0.000 1.073 339 L CA 2.561 57.388 54.840 -0.023 0.000 0.745 339 L CB -0.808 41.242 42.059 -0.015 0.000 0.894 339 L HN 0.328 nan 8.230 nan 0.000 0.432 340 D N -0.263 120.116 120.400 -0.035 0.000 2.123 340 D HA -0.188 4.453 4.640 0.002 0.000 0.196 340 D C 2.333 178.608 176.300 -0.041 0.000 0.992 340 D CA 1.898 55.876 54.000 -0.037 0.000 0.833 340 D CB -0.115 40.658 40.800 -0.045 0.000 0.954 340 D HN 0.454 nan 8.370 nan 0.000 0.455 341 I N 0.840 121.379 120.570 -0.052 0.000 2.353 341 I HA -0.192 3.979 4.170 0.002 0.000 0.248 341 I C 2.414 178.513 176.117 -0.031 0.000 1.119 341 I CA 0.733 62.001 61.300 -0.053 0.000 1.417 341 I CB -0.138 37.816 38.000 -0.076 0.000 1.078 341 I HN -0.085 nan 8.210 nan 0.000 0.421 342 A N 0.867 123.669 122.820 -0.031 0.000 1.933 342 A HA -0.198 4.123 4.320 0.002 0.000 0.218 342 A C 2.383 179.959 177.584 -0.015 0.000 1.175 342 A CA 1.453 53.478 52.037 -0.019 0.000 0.628 342 A CB -0.499 18.494 19.000 -0.011 0.000 0.814 342 A HN 0.306 nan 8.150 nan 0.000 0.444 343 R N -1.427 119.063 120.500 -0.017 0.000 2.075 343 R HA -0.028 4.313 4.340 0.002 0.000 0.232 343 R C 1.990 178.279 176.300 -0.018 0.000 1.126 343 R CA 1.129 57.219 56.100 -0.017 0.000 0.963 343 R CB -0.402 29.889 30.300 -0.016 0.000 0.858 343 R HN 0.415 nan 8.270 nan 0.000 0.435 344 L N 0.583 121.796 121.223 -0.018 0.000 2.056 344 L HA -0.081 4.260 4.340 0.002 0.000 0.207 344 L C 2.271 179.138 176.870 -0.006 0.000 1.078 344 L CA 1.847 56.679 54.840 -0.013 0.000 0.749 344 L CB -0.899 41.149 42.059 -0.018 0.000 0.901 344 L HN 0.142 nan 8.230 nan 0.000 0.433 345 A N -0.603 122.217 122.820 -0.000 0.000 1.865 345 A HA -0.291 4.030 4.320 0.002 0.000 0.217 345 A C 2.434 179.994 177.584 -0.040 0.000 1.191 345 A CA 1.975 54.014 52.037 0.003 0.000 0.623 345 A CB -0.634 18.377 19.000 0.020 0.000 0.826 345 A HN 0.384 nan 8.150 nan 0.000 0.444 346 R N 0.533 121.008 120.500 -0.041 0.000 2.119 346 R HA -0.174 4.167 4.340 0.002 0.000 0.246 346 R C 1.035 177.294 176.300 -0.069 0.000 1.146 346 R CA 2.287 58.351 56.100 -0.060 0.000 0.962 346 R CB -0.773 29.504 30.300 -0.039 0.000 0.863 346 R HN 0.525 nan 8.270 nan 0.000 0.442 347 D N -0.626 119.747 120.400 -0.044 0.000 2.363 347 D HA -0.058 4.583 4.640 0.002 0.000 0.220 347 D C 1.364 177.642 176.300 -0.036 0.000 0.994 347 D CA 0.876 54.855 54.000 -0.035 0.000 0.890 347 D CB 0.007 40.795 40.800 -0.019 0.000 0.906 347 D HN 0.400 nan 8.370 nan 0.000 0.530 348 M N -0.265 119.305 119.600 -0.050 0.000 2.541 348 M HA 0.109 4.590 4.480 0.002 0.000 0.252 348 M C 0.321 176.517 176.300 -0.174 0.000 1.125 348 M CA 0.324 55.599 55.300 -0.042 0.000 1.091 348 M CB 0.606 33.210 32.600 0.006 0.000 1.420 348 M HN -0.185 nan 8.290 nan 0.000 0.486 349 L N 0.734 121.771 121.223 -0.311 0.000 2.264 349 L HA 0.467 4.808 4.340 0.002 0.000 0.289 349 L C 0.687 177.360 176.870 -0.329 0.000 1.044 349 L CA -0.811 53.635 54.840 -0.657 0.000 0.807 349 L CB 0.832 42.559 42.059 -0.553 0.000 1.192 349 L HN 0.058 nan 8.230 nan 0.000 0.425 359 G N 0.207 108.976 108.800 -0.052 0.000 2.509 359 G HA2 0.109 4.070 3.960 0.002 0.000 0.218 359 G HA3 0.109 4.070 3.960 0.002 0.000 0.218 359 G C 1.653 176.538 174.900 -0.025 0.000 1.124 359 G CA 1.681 46.731 45.100 -0.082 0.000 0.776 359 G HN 0.707 nan 8.290 nan 0.000 0.547 360 V N 1.475 121.401 119.914 0.021 0.000 2.343 360 V HA -0.186 3.935 4.120 0.002 0.000 0.247 360 V C 3.296 179.385 176.094 -0.009 0.000 1.051 360 V CA 2.007 64.333 62.300 0.044 0.000 1.036 360 V CB -0.823 30.999 31.823 -0.002 0.000 0.654 360 V HN 0.453 nan 8.190 nan 0.000 0.451 361 A N -0.195 122.585 122.820 -0.067 0.000 1.972 361 A HA -0.261 4.060 4.320 0.002 0.000 0.219 361 A C 2.391 179.886 177.584 -0.148 0.000 1.169 361 A CA 2.112 54.098 52.037 -0.084 0.000 0.635 361 A CB -0.528 18.424 19.000 -0.081 0.000 0.810 361 A HN 0.531 nan 8.150 nan 0.000 0.446 362 R N -1.521 118.812 120.500 -0.278 0.000 2.057 362 R HA -0.122 4.219 4.340 0.002 0.000 0.229 362 R C 2.164 178.274 176.300 -0.318 0.000 1.136 362 R CA 1.315 57.093 56.100 -0.537 0.000 0.952 362 R CB -0.456 29.362 30.300 -0.803 0.000 0.848 362 R HN 0.616 nan 8.270 nan 0.000 0.430 363 H N 0.518 119.477 119.070 -0.186 0.000 2.353 363 H HA -0.176 4.382 4.556 0.002 0.000 0.298 363 H C 2.059 177.345 175.328 -0.070 0.000 1.103 363 H CA 1.761 57.746 56.048 -0.105 0.000 1.293 363 H CB -0.176 29.541 29.762 -0.074 0.000 1.372 363 H HN 0.186 nan 8.280 nan 0.000 0.501 364 L N 1.253 122.509 121.223 0.054 0.000 1.989 364 L HA -0.156 4.185 4.340 0.002 0.000 0.211 364 L C 2.694 179.577 176.870 0.021 0.000 1.071 364 L CA 1.680 56.535 54.840 0.023 0.000 0.749 364 L CB -0.979 41.082 42.059 0.004 0.000 0.890 364 L HN 0.173 nan 8.230 nan 0.000 0.431 365 V N -2.320 117.603 119.914 0.016 0.000 2.515 365 V HA -0.176 3.945 4.120 0.002 0.000 0.250 365 V C 2.350 178.486 176.094 0.070 0.000 1.058 365 V CA 1.822 64.156 62.300 0.057 0.000 1.064 365 V CB -1.278 30.616 31.823 0.118 0.000 0.675 365 V HN 0.470 nan 8.190 nan 0.000 0.461 366 N N 1.206 119.942 118.700 0.060 0.000 2.084 366 N HA -0.053 4.688 4.740 0.002 0.000 0.190 366 N C 1.783 177.317 175.510 0.040 0.000 1.030 366 N CA 2.034 55.119 53.050 0.059 0.000 0.849 366 N CB -0.577 37.930 38.487 0.034 0.000 1.012 366 N HN 0.496 nan 8.380 nan 0.000 0.423 367 L N 1.135 122.382 121.223 0.039 0.000 2.201 367 L HA -0.065 4.276 4.340 0.002 0.000 0.212 367 L C 1.974 178.856 176.870 0.019 0.000 1.105 367 L CA 0.824 55.680 54.840 0.026 0.000 0.775 367 L CB -0.237 41.835 42.059 0.022 0.000 0.913 367 L HN 0.179 nan 8.230 nan 0.000 0.440 368 E N -0.584 119.629 120.200 0.022 0.000 2.150 368 E HA -0.166 4.185 4.350 0.002 0.000 0.193 368 E C 2.218 178.827 176.600 0.015 0.000 0.985 368 E CA 1.005 57.415 56.400 0.017 0.000 0.814 368 E CB 0.097 29.808 29.700 0.018 0.000 0.752 368 E HN 0.282 nan 8.360 nan 0.000 0.466 369 V N 0.330 120.255 119.914 0.018 0.000 2.346 369 V HA -0.179 3.942 4.120 0.002 0.000 0.244 369 V C 2.263 178.382 176.094 0.041 0.000 1.037 369 V CA 0.940 63.247 62.300 0.013 0.000 1.029 369 V CB -0.161 31.663 31.823 0.003 0.000 0.663 369 V HN 0.117 nan 8.190 nan 0.000 0.454 370 V N 0.871 120.802 119.914 0.029 0.000 2.317 370 V HA -0.318 3.803 4.120 0.002 0.000 0.251 370 V C 2.246 178.378 176.094 0.063 0.000 1.065 370 V CA 2.342 64.659 62.300 0.030 0.000 1.049 370 V CB -0.821 31.005 31.823 0.005 0.000 0.651 370 V HN 0.604 nan 8.190 nan 0.000 0.450 371 N N 0.063 118.787 118.700 0.041 0.000 2.396 371 N HA -0.092 4.649 4.740 0.002 0.000 0.180 371 N C 1.627 177.163 175.510 0.045 0.000 1.028 371 N CA 1.783 54.856 53.050 0.038 0.000 0.893 371 N CB 0.085 38.582 38.487 0.017 0.000 0.967 371 N HN 0.734 nan 8.380 nan 0.000 0.440 372 T N -3.634 110.948 114.554 0.046 0.000 3.129 372 T HA 0.067 4.418 4.350 0.002 0.000 0.267 372 T C 1.375 176.092 174.700 0.029 0.000 1.018 372 T CA -0.507 61.608 62.100 0.024 0.000 0.903 372 T CB -0.343 68.522 68.868 -0.005 0.000 1.067 372 T HN 0.081 nan 8.240 nan 0.000 0.549 373 Y N 2.730 123.006 120.300 -0.041 0.000 2.181 373 Y HA 0.045 4.596 4.550 0.002 0.000 0.288 373 Y C 1.799 177.693 175.900 -0.009 0.000 1.146 373 Y CA 1.466 59.537 58.100 -0.048 0.000 1.164 373 Y CB -0.038 38.408 38.460 -0.023 0.000 0.982 373 Y HN 0.304 nan 8.280 nan 0.000 0.515 374 E N 0.512 120.747 120.200 0.060 0.000 2.403 374 E HA 0.300 4.651 4.350 0.002 0.000 0.187 374 E C 0.538 177.120 176.600 -0.030 0.000 1.073 374 E CA 0.310 56.705 56.400 -0.008 0.000 0.888 374 E CB -0.339 29.409 29.700 0.080 0.000 1.035 374 E HN 0.563 nan 8.360 nan 0.000 0.471 375 G N 0.658 109.444 108.800 -0.024 0.000 2.525 375 G HA2 -0.217 3.744 3.960 0.002 0.000 0.685 375 G HA3 -0.217 3.744 3.960 0.002 0.000 0.685 375 G C 0.330 175.263 174.900 0.056 0.000 1.290 375 G CA -0.308 44.830 45.100 0.063 0.000 0.915 375 G HN 0.140 nan 8.290 nan 0.000 0.548 376 T N -2.938 111.690 114.554 0.125 0.000 3.228 376 T HA 0.379 4.730 4.350 0.002 0.000 0.278 376 T C 0.876 175.640 174.700 0.106 0.000 1.014 376 T CA 0.979 63.121 62.100 0.070 0.000 0.904 376 T CB -0.232 68.664 68.868 0.046 0.000 1.110 376 T HN 1.536 nan 8.240 nan 0.000 0.541 377 H N -0.448 118.607 119.070 -0.025 0.000 2.512 377 H HA 0.284 4.841 4.556 0.002 0.000 0.276 377 H C -0.180 175.134 175.328 -0.024 0.000 1.126 377 H CA -0.333 55.701 56.048 -0.024 0.000 1.060 377 H CB -0.272 29.473 29.762 -0.029 0.000 1.646 377 H HN 0.230 nan 8.280 nan 0.000 0.571 378 D N 1.598 121.843 120.400 -0.258 0.000 2.697 378 D HA -0.235 4.406 4.640 0.002 0.000 0.238 378 D C 1.263 177.389 176.300 -0.291 0.000 1.152 378 D CA 0.662 54.546 54.000 -0.194 0.000 0.666 378 D CB -1.560 39.198 40.800 -0.070 0.000 1.037 378 D HN 0.715 nan 8.370 nan 0.000 0.423 379 I N 0.212 120.438 120.570 -0.573 0.000 2.236 379 I HA -0.352 3.819 4.170 0.002 0.000 0.249 379 I C 1.904 177.825 176.117 -0.327 0.000 1.102 379 I CA 1.455 62.441 61.300 -0.522 0.000 1.365 379 I CB -0.059 37.582 38.000 -0.598 0.000 1.051 379 I HN 0.293 nan 8.210 nan 0.000 0.420 380 H N 0.699 119.718 119.070 -0.084 0.000 2.395 380 H HA 0.026 4.583 4.556 0.002 0.000 0.299 380 H C 2.317 177.630 175.328 -0.025 0.000 1.070 380 H CA 1.240 57.270 56.048 -0.029 0.000 1.356 380 H CB -0.345 29.406 29.762 -0.019 0.000 1.401 380 H HN 0.497 nan 8.280 nan 0.000 0.524 381 A N 1.531 124.382 122.820 0.053 0.000 1.883 381 A HA -0.139 4.182 4.320 0.002 0.000 0.217 381 A C 2.663 180.253 177.584 0.011 0.000 1.186 381 A CA 1.264 53.314 52.037 0.022 0.000 0.624 381 A CB -0.908 18.092 19.000 0.001 0.000 0.822 381 A HN 0.274 nan 8.150 nan 0.000 0.444 382 L N -0.830 120.386 121.223 -0.011 0.000 2.056 382 L HA -0.153 4.188 4.340 0.002 0.000 0.207 382 L C 2.502 179.377 176.870 0.008 0.000 1.078 382 L CA 1.157 55.996 54.840 -0.001 0.000 0.749 382 L CB -0.630 41.430 42.059 0.001 0.000 0.901 382 L HN 0.352 nan 8.230 nan 0.000 0.433 383 I N 0.027 120.605 120.570 0.013 0.000 2.151 383 I HA -0.339 3.832 4.170 0.002 0.000 0.243 383 I C 2.427 178.570 176.117 0.043 0.000 1.080 383 I CA 1.592 62.915 61.300 0.038 0.000 1.339 383 I CB -0.204 37.850 38.000 0.090 0.000 1.039 383 I HN 0.219 nan 8.210 nan 0.000 0.409 384 L N -0.090 121.161 121.223 0.047 0.000 2.109 384 L HA -0.045 4.296 4.340 0.002 0.000 0.207 384 L C 2.653 179.536 176.870 0.021 0.000 1.086 384 L CA 1.232 56.094 54.840 0.036 0.000 0.760 384 L CB -0.995 41.085 42.059 0.036 0.000 0.910 384 L HN 0.284 nan 8.230 nan 0.000 0.437 385 G N -0.241 108.569 108.800 0.017 0.000 2.421 385 G HA2 -0.288 3.673 3.960 0.002 0.000 0.216 385 G HA3 -0.288 3.673 3.960 0.002 0.000 0.216 385 G C 1.730 176.635 174.900 0.008 0.000 1.171 385 G CA 0.649 45.755 45.100 0.010 0.000 0.775 385 G HN 0.213 nan 8.290 nan 0.000 0.543 386 R N 0.496 121.001 120.500 0.009 0.000 2.083 386 R HA -0.065 4.276 4.340 0.002 0.000 0.237 386 R C 2.878 179.181 176.300 0.005 0.000 1.137 386 R CA 1.579 57.682 56.100 0.005 0.000 0.951 386 R CB -0.415 29.887 30.300 0.002 0.000 0.851 386 R HN 0.309 nan 8.270 nan 0.000 0.434 387 A N 0.343 123.169 122.820 0.010 0.000 1.972 387 A HA -0.176 4.145 4.320 0.002 0.000 0.219 387 A C 1.976 179.565 177.584 0.008 0.000 1.169 387 A CA 1.212 53.255 52.037 0.010 0.000 0.635 387 A CB -0.298 18.713 19.000 0.019 0.000 0.810 387 A HN 0.478 nan 8.150 nan 0.000 0.446 388 Q N -1.217 118.588 119.800 0.007 0.000 2.187 388 Q HA -0.083 4.258 4.340 0.002 0.000 0.199 388 Q C 1.963 177.965 176.000 0.003 0.000 0.957 388 Q CA 1.724 57.530 55.803 0.005 0.000 0.857 388 Q CB 0.041 28.782 28.738 0.004 0.000 0.929 388 Q HN 0.864 nan 8.270 nan 0.000 0.453 389 T N -5.824 108.732 114.554 0.002 0.000 2.959 389 T HA 0.283 4.634 4.350 0.002 0.000 0.254 389 T C 1.323 176.022 174.700 -0.001 0.000 1.003 389 T CA 0.483 62.583 62.100 0.001 0.000 0.950 389 T CB 0.881 69.750 68.868 0.001 0.000 1.090 389 T HN 0.324 nan 8.240 nan 0.000 0.503 390 G N 1.639 110.438 108.800 -0.001 0.000 2.166 390 G HA2 -0.226 3.735 3.960 0.002 0.000 0.260 390 G HA3 -0.226 3.735 3.960 0.002 0.000 0.260 390 G C -0.045 174.853 174.900 -0.004 0.000 0.986 390 G CA 0.513 45.611 45.100 -0.003 0.000 0.683 390 G HN 0.679 nan 8.290 nan 0.000 0.527 391 I N 0.234 120.803 120.570 -0.003 0.000 2.436 391 I HA 0.365 4.537 4.170 0.002 0.000 0.289 391 I C 0.327 176.443 176.117 -0.002 0.000 1.010 391 I CA -0.764 60.535 61.300 -0.003 0.000 1.098 391 I CB 1.891 39.890 38.000 -0.002 0.000 1.266 391 I HN 0.152 nan 8.210 nan 0.000 0.434 392 Q N 4.000 123.798 119.800 -0.004 0.000 2.299 392 Q HA 0.627 4.968 4.340 0.002 0.000 0.246 392 Q C -0.211 175.790 176.000 0.001 0.000 0.935 392 Q CA -0.281 55.521 55.803 -0.002 0.000 0.887 392 Q CB 1.470 30.204 28.738 -0.006 0.000 1.223 392 Q HN 0.783 nan 8.270 nan 0.000 0.439 393 A N 0.000 122.823 122.820 0.006 0.000 2.254 393 A HA 0.000 4.321 4.320 0.002 0.000 0.244 393 A CA 0.000 52.042 52.037 0.009 0.000 0.836 393 A CB 0.000 19.009 19.000 0.016 0.000 0.831 393 A HN 0.000 nan 8.150 nan 0.000 0.486