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 2o1s_1_C DATA FIRST_RESID 3 DATA SEQUENCE FDIAKYPTLA LVDSTQELRL LPKESLPKLC DELRRYLLDS VSRSSGHFAS DATA SEQUENCE GLGTVELTVA LHYVYNTPFD QLIWDVGHQA YPHKILTGRR DKIGTIRQKG DATA SEQUENCE GLHPFPWRGE SEYDVLSVGH SSTSISAGIG IAVAAEKEGK NRRTVCVIGD DATA SEQUENCE GAITAGXAFE AXNHAGDIRP DXLVILNDNE XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXGTL FEELGFNYIG DATA SEQUENCE PVDGHDVLGL ITTLKNXRDL KGPQFLHIXT KKGRGYEPAX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXLPSYS KIFGDWLCET AAKDNKLXAI TPAXREGSGX DATA SEQUENCE VEFSRKFPDR YFDVAIAEQH AVTFAAGLAI GGYKPIVAIY STFLQRAYDQ DATA SEQUENCE VLHDVAIQKL PVLFAIDRAG IVGADGQTHQ GAFDLSYLRC IPEXVIXTPS DATA SEQUENCE DENECRQXLY TGYHYNDGPS AVRYPRGNAV GVELTPLEKL PIGKGIVKRR DATA SEQUENCE GEKLAILNFG TLXPEAAKVA ESLNATLVDX RFVKPLDEAL ILEXAASHEA DATA SEQUENCE LVTVEENAIX GGAGSGVNEV LXAHRKPVPV LNIGLPDFFI PQGTQEEXRA DATA SEQUENCE ELGLDAAGXE AKIKAWLAL 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 3 F HA 0.000 nan 4.527 nan 0.000 0.279 3 F C 0.000 175.853 175.800 0.088 0.000 0.967 3 F CA 0.000 58.036 58.000 0.060 0.000 1.383 3 F CB 0.000 39.040 39.000 0.066 0.000 1.145 4 D N 2.304 122.633 120.400 -0.119 0.000 2.455 4 D HA 0.246 4.886 4.640 -0.000 0.000 0.234 4 D C 1.198 177.215 176.300 -0.471 0.000 1.224 4 D CA 0.199 54.067 54.000 -0.220 0.000 0.999 4 D CB 0.228 40.958 40.800 -0.117 0.000 1.072 4 D HN 0.559 nan 8.370 nan 0.000 0.514 5 I N 2.159 122.619 120.570 -0.183 0.000 2.264 5 I HA -0.304 3.866 4.170 -0.000 0.000 0.248 5 I C 2.331 178.386 176.117 -0.102 0.000 1.111 5 I CA 0.943 62.205 61.300 -0.064 0.000 1.382 5 I CB -0.041 38.014 38.000 0.092 0.000 1.060 5 I HN 0.354 nan 8.210 nan 0.000 0.418 6 A N 0.587 123.338 122.820 -0.115 0.000 1.930 6 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 6 A C 2.391 179.856 177.584 -0.197 0.000 1.175 6 A CA 1.730 53.697 52.037 -0.117 0.000 0.627 6 A CB -0.431 18.513 19.000 -0.094 0.000 0.815 6 A HN 0.348 nan 8.150 nan 0.000 0.443 7 K N -1.729 118.473 120.400 -0.330 0.000 2.155 7 K HA -0.086 4.234 4.320 -0.000 0.000 0.203 7 K C -0.615 175.531 176.600 -0.758 0.000 1.052 7 K CA 0.892 56.822 56.287 -0.594 0.000 0.948 7 K CB -0.069 31.935 32.500 -0.826 0.000 0.728 7 K HN 0.556 nan 8.250 nan 0.000 0.448 8 Y N 0.407 120.573 120.300 -0.224 0.000 2.748 8 Y HA 0.261 4.811 4.550 -0.000 0.000 0.359 8 Y C -2.005 173.849 175.900 -0.077 0.000 1.030 8 Y CA -2.361 55.654 58.100 -0.141 0.000 1.169 8 Y CB 1.329 39.683 38.460 -0.177 0.000 1.127 8 Y HN 0.062 nan 8.280 nan 0.000 0.644 9 P HA -0.168 nan 4.420 nan 0.000 0.215 9 P C 1.045 178.402 177.300 0.095 0.000 1.153 9 P CA 1.841 64.975 63.100 0.057 0.000 0.853 9 P CB 0.369 32.080 31.700 0.018 0.000 0.788 10 T N 0.680 115.293 114.554 0.098 0.000 2.851 10 T HA -0.024 4.326 4.350 -0.000 0.000 0.262 10 T C 1.959 176.723 174.700 0.106 0.000 1.043 10 T CA 0.467 62.621 62.100 0.090 0.000 1.140 10 T CB -0.910 68.002 68.868 0.075 0.000 0.872 10 T HN 0.017 nan 8.240 nan 0.000 0.446 11 L N 1.041 122.353 121.223 0.147 0.000 2.083 11 L HA -0.081 4.259 4.340 -0.000 0.000 0.209 11 L C 2.745 179.702 176.870 0.146 0.000 1.083 11 L CA 1.252 56.163 54.840 0.119 0.000 0.752 11 L CB -0.580 41.548 42.059 0.115 0.000 0.899 11 L HN 0.298 nan 8.230 nan 0.000 0.433 12 A N -0.328 122.690 122.820 0.330 0.000 2.131 12 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 12 A C 2.058 179.693 177.584 0.086 0.000 1.158 12 A CA 1.352 53.590 52.037 0.335 0.000 0.665 12 A CB -0.486 18.766 19.000 0.420 0.000 0.795 12 A HN 0.548 nan 8.150 nan 0.000 0.460 13 L N -1.008 120.251 121.223 0.059 0.000 2.249 13 L HA 0.046 4.386 4.340 -0.000 0.000 0.207 13 L C 0.372 177.231 176.870 -0.018 0.000 1.090 13 L CA 0.100 54.954 54.840 0.022 0.000 0.802 13 L CB -0.077 42.006 42.059 0.039 0.000 0.947 13 L HN 0.066 nan 8.230 nan 0.000 0.453 14 V N 1.215 121.109 119.914 -0.033 0.000 2.223 14 V HA -0.011 4.109 4.120 -0.000 0.000 0.249 14 V C 0.526 176.533 176.094 -0.146 0.000 1.233 14 V CA 0.339 62.599 62.300 -0.066 0.000 1.131 14 V CB 0.410 32.206 31.823 -0.046 0.000 1.298 14 V HN 0.191 nan 8.190 nan 0.000 0.498 15 D N 1.533 121.847 120.400 -0.143 0.000 2.366 15 D HA 0.078 4.718 4.640 -0.000 0.000 0.205 15 D C 0.928 177.124 176.300 -0.174 0.000 1.022 15 D CA 0.642 54.529 54.000 -0.190 0.000 0.868 15 D CB 0.799 41.504 40.800 -0.159 0.000 0.953 15 D HN 0.553 nan 8.370 nan 0.000 0.514 16 S N -1.860 113.758 115.700 -0.136 0.000 2.569 16 S HA 0.313 4.783 4.470 -0.000 0.000 0.280 16 S C 0.862 175.390 174.600 -0.119 0.000 1.111 16 S CA -0.426 57.696 58.200 -0.130 0.000 0.887 16 S CB 1.575 64.744 63.200 -0.051 0.000 1.095 16 S HN -0.122 nan 8.310 nan 0.000 0.476 17 T N 2.450 116.911 114.554 -0.155 0.000 2.881 17 T HA -0.074 4.276 4.350 -0.000 0.000 0.270 17 T C 1.428 176.155 174.700 0.045 0.000 1.068 17 T CA 1.808 63.863 62.100 -0.075 0.000 1.131 17 T CB -0.242 68.612 68.868 -0.025 0.000 0.871 17 T HN 0.607 nan 8.240 nan 0.000 0.479 18 Q N 0.651 120.483 119.800 0.053 0.000 2.123 18 Q HA 0.017 4.357 4.340 -0.000 0.000 0.199 18 Q C 2.267 178.281 176.000 0.025 0.000 0.966 18 Q CA 1.051 56.882 55.803 0.046 0.000 0.845 18 Q CB -0.249 28.516 28.738 0.046 0.000 0.907 18 Q HN 0.392 nan 8.270 nan 0.000 0.439 19 E N 0.258 120.466 120.200 0.012 0.000 2.058 19 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 19 E C 1.660 178.286 176.600 0.043 0.000 0.997 19 E CA 0.767 57.175 56.400 0.014 0.000 0.801 19 E CB -0.343 29.351 29.700 -0.011 0.000 0.746 19 E HN 0.262 nan 8.360 nan 0.000 0.450 20 L N 1.006 122.262 121.223 0.055 0.000 2.013 20 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 20 L C 1.774 178.761 176.870 0.196 0.000 1.073 20 L CA 1.882 56.801 54.840 0.131 0.000 0.753 20 L CB -0.184 41.964 42.059 0.148 0.000 0.890 20 L HN 0.005 nan 8.230 nan 0.000 0.432 21 R N -0.745 119.794 120.500 0.065 0.000 2.328 21 R HA -0.020 4.320 4.340 -0.000 0.000 0.207 21 R C 1.923 178.196 176.300 -0.045 0.000 1.056 21 R CA 0.792 56.814 56.100 -0.129 0.000 1.016 21 R CB -0.297 29.895 30.300 -0.180 0.000 0.872 21 R HN 0.458 nan 8.270 nan 0.000 0.471 22 L N 0.338 121.591 121.223 0.049 0.000 2.354 22 L HA 0.099 4.439 4.340 -0.000 0.000 0.212 22 L C 0.822 177.755 176.870 0.105 0.000 1.091 22 L CA 0.081 54.953 54.840 0.054 0.000 0.828 22 L CB -0.027 42.055 42.059 0.038 0.000 0.973 22 L HN 0.075 nan 8.230 nan 0.000 0.461 23 L N 1.991 123.310 121.223 0.159 0.000 2.461 23 L HA 0.122 4.462 4.340 -0.000 0.000 0.272 23 L C -1.880 175.113 176.870 0.205 0.000 1.197 23 L CA -1.515 53.420 54.840 0.158 0.000 0.836 23 L CB -0.106 42.041 42.059 0.146 0.000 1.105 23 L HN -0.110 nan 8.230 nan 0.000 0.477 24 P HA 0.136 nan 4.420 nan 0.000 0.279 24 P C -0.230 177.095 177.300 0.042 0.000 1.239 24 P CA -0.556 62.608 63.100 0.106 0.000 0.789 24 P CB 1.166 32.905 31.700 0.064 0.000 0.933 25 K N 1.581 121.989 120.400 0.014 0.000 2.052 25 K HA -0.216 4.104 4.320 -0.000 0.000 0.215 25 K C 1.686 178.234 176.600 -0.087 0.000 1.053 25 K CA 1.922 58.134 56.287 -0.125 0.000 0.934 25 K CB -0.231 32.229 32.500 -0.067 0.000 0.717 25 K HN 0.568 nan 8.250 nan 0.000 0.450 26 E N 0.499 120.682 120.200 -0.029 0.000 2.393 26 E HA -0.179 4.171 4.350 -0.000 0.000 0.201 26 E C 1.647 178.239 176.600 -0.013 0.000 1.025 26 E CA 1.041 57.431 56.400 -0.016 0.000 0.856 26 E CB -0.284 29.417 29.700 0.002 0.000 0.771 26 E HN 0.162 nan 8.360 nan 0.000 0.526 27 S N -0.138 115.553 115.700 -0.016 0.000 2.492 27 S HA 0.142 4.612 4.470 -0.000 0.000 0.218 27 S C 1.863 176.456 174.600 -0.012 0.000 1.016 27 S CA -0.309 57.890 58.200 -0.001 0.000 0.916 27 S CB -0.042 63.169 63.200 0.018 0.000 0.791 27 S HN 0.179 nan 8.310 nan 0.000 0.513 28 L N 1.641 122.831 121.223 -0.056 0.000 2.042 28 L HA -0.038 4.302 4.340 -0.000 0.000 0.210 28 L C -0.858 176.000 176.870 -0.020 0.000 1.076 28 L CA 1.317 56.117 54.840 -0.067 0.000 0.749 28 L CB -1.795 40.155 42.059 -0.182 0.000 0.893 28 L HN 0.241 nan 8.230 nan 0.000 0.432 29 P HA -0.208 nan 4.420 nan 0.000 0.215 29 P C 1.434 178.750 177.300 0.027 0.000 1.153 29 P CA 1.261 64.368 63.100 0.010 0.000 0.853 29 P CB 0.075 31.779 31.700 0.006 0.000 0.788 30 K N 0.006 120.422 120.400 0.025 0.000 2.057 30 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 30 K C 1.994 178.628 176.600 0.058 0.000 1.050 30 K CA 1.208 57.518 56.287 0.039 0.000 0.935 30 K CB -1.326 31.193 32.500 0.032 0.000 0.715 30 K HN 0.007 nan 8.250 nan 0.000 0.439 31 L N 0.334 121.588 121.223 0.053 0.000 1.990 31 L HA -0.305 4.035 4.340 -0.000 0.000 0.213 31 L C 2.056 178.975 176.870 0.083 0.000 1.072 31 L CA 2.021 56.901 54.840 0.068 0.000 0.755 31 L CB -0.554 41.537 42.059 0.053 0.000 0.889 31 L HN 0.414 nan 8.230 nan 0.000 0.432 32 C N 0.150 119.493 119.300 0.073 0.000 2.393 32 C HA -0.215 4.245 4.460 -0.000 0.000 0.276 32 C C 2.382 177.431 174.990 0.099 0.000 1.215 32 C CA 1.010 60.081 59.018 0.087 0.000 1.743 32 C CB -1.064 26.723 27.740 0.078 0.000 2.044 32 C HN 0.607 nan 8.230 nan 0.000 0.464 33 D N 0.186 120.638 120.400 0.086 0.000 2.149 33 D HA -0.128 4.512 4.640 -0.000 0.000 0.198 33 D C 2.096 178.476 176.300 0.133 0.000 0.990 33 D CA 1.238 55.293 54.000 0.091 0.000 0.839 33 D CB -0.500 40.341 40.800 0.067 0.000 0.948 33 D HN 0.644 nan 8.370 nan 0.000 0.460 34 E N -0.060 120.231 120.200 0.152 0.000 2.106 34 E HA -0.128 4.221 4.350 -0.000 0.000 0.192 34 E C 2.072 178.826 176.600 0.256 0.000 0.984 34 E CA 0.159 56.706 56.400 0.246 0.000 0.806 34 E CB 0.001 29.842 29.700 0.235 0.000 0.750 34 E HN 0.074 nan 8.360 nan 0.000 0.458 35 L N 1.365 122.691 121.223 0.171 0.000 2.093 35 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 35 L C 2.313 179.299 176.870 0.193 0.000 1.085 35 L CA 1.670 56.607 54.840 0.162 0.000 0.755 35 L CB -0.333 41.799 42.059 0.122 0.000 0.904 35 L HN -0.075 nan 8.230 nan 0.000 0.435 36 R N -0.814 119.787 120.500 0.168 0.000 2.073 36 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 36 R C 2.452 178.856 176.300 0.173 0.000 1.134 36 R CA 1.437 57.631 56.100 0.156 0.000 0.952 36 R CB -0.162 30.211 30.300 0.122 0.000 0.850 36 R HN 0.316 nan 8.270 nan 0.000 0.433 37 R N -0.855 119.770 120.500 0.209 0.000 2.073 37 R HA -0.193 4.146 4.340 -0.000 0.000 0.234 37 R C 2.260 178.724 176.300 0.273 0.000 1.134 37 R CA 1.778 58.024 56.100 0.243 0.000 0.952 37 R CB -0.593 29.888 30.300 0.302 0.000 0.850 37 R HN 0.305 nan 8.270 nan 0.000 0.433 38 Y N 1.464 121.839 120.300 0.124 0.000 2.207 38 Y HA -0.202 4.348 4.550 -0.000 0.000 0.287 38 Y C 2.010 177.890 175.900 -0.032 0.000 1.156 38 Y CA 1.305 59.307 58.100 -0.163 0.000 1.182 38 Y CB -0.290 37.900 38.460 -0.451 0.000 0.979 38 Y HN 0.019 nan 8.280 nan 0.000 0.521 39 L N -0.571 120.669 121.223 0.028 0.000 2.131 39 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 39 L C 1.886 178.748 176.870 -0.014 0.000 1.092 39 L CA 1.239 56.094 54.840 0.025 0.000 0.759 39 L CB -0.236 41.928 42.059 0.174 0.000 0.903 39 L HN 0.323 nan 8.230 nan 0.000 0.435 40 L N -1.073 120.152 121.223 0.003 0.000 2.509 40 L HA -0.064 4.276 4.340 -0.000 0.000 0.222 40 L C 1.424 178.219 176.870 -0.124 0.000 1.123 40 L CA 0.146 54.951 54.840 -0.058 0.000 0.856 40 L CB -0.152 41.923 42.059 0.027 0.000 0.985 40 L HN 0.216 nan 8.230 nan 0.000 0.456 41 D N -1.518 118.804 120.400 -0.131 0.000 2.394 41 D HA -0.028 4.612 4.640 -0.000 0.000 0.226 41 D C 2.266 178.441 176.300 -0.208 0.000 0.990 41 D CA 1.217 55.145 54.000 -0.121 0.000 0.902 41 D CB 0.173 40.981 40.800 0.013 0.000 1.038 41 D HN 0.178 nan 8.370 nan 0.000 0.499 42 S N -0.056 115.406 115.700 -0.397 0.000 2.439 42 S HA 0.070 4.540 4.470 -0.000 0.000 0.224 42 S C 1.074 175.524 174.600 -0.249 0.000 1.029 42 S CA -0.117 57.849 58.200 -0.390 0.000 0.946 42 S CB -0.056 62.682 63.200 -0.770 0.000 0.797 42 S HN -0.076 nan 8.310 nan 0.000 0.504 43 V N 2.755 122.537 119.914 -0.220 0.000 2.567 43 V HA 0.456 4.576 4.120 -0.000 0.000 0.289 43 V C 0.624 176.633 176.094 -0.143 0.000 1.049 43 V CA -0.679 61.546 62.300 -0.125 0.000 0.969 43 V CB 1.435 33.270 31.823 0.019 0.000 0.995 43 V HN 0.483 nan 8.190 nan 0.000 0.471 44 S N 4.219 119.862 115.700 -0.095 0.000 2.562 44 S HA 0.119 4.589 4.470 -0.000 0.000 0.281 44 S C 1.248 175.783 174.600 -0.109 0.000 1.333 44 S CA -0.452 57.690 58.200 -0.096 0.000 1.052 44 S CB 0.414 63.580 63.200 -0.055 0.000 0.884 44 S HN 0.638 nan 8.310 nan 0.000 0.506 45 R N 2.467 122.870 120.500 -0.162 0.000 2.235 45 R HA -0.006 4.334 4.340 -0.000 0.000 0.213 45 R C 2.268 178.603 176.300 0.057 0.000 1.059 45 R CA 1.137 57.131 56.100 -0.177 0.000 0.997 45 R CB -1.477 28.701 30.300 -0.204 0.000 0.884 45 R HN 0.832 nan 8.270 nan 0.000 0.462 46 S N -0.582 115.136 115.700 0.030 0.000 2.595 46 S HA 0.013 4.483 4.470 -0.000 0.000 0.235 46 S C 1.531 176.170 174.600 0.066 0.000 0.974 46 S CA 0.706 58.936 58.200 0.050 0.000 0.942 46 S CB 0.010 63.219 63.200 0.015 0.000 0.766 46 S HN 0.035 nan 8.310 nan 0.000 0.536 47 S N 0.218 115.985 115.700 0.112 0.000 2.524 47 S HA 0.397 4.867 4.470 -0.000 0.000 0.216 47 S C 1.862 176.511 174.600 0.081 0.000 0.987 47 S CA 0.418 58.681 58.200 0.105 0.000 0.909 47 S CB -0.382 62.937 63.200 0.197 0.000 0.781 47 S HN 0.928 nan 8.310 nan 0.000 0.521 48 G N 1.937 110.883 108.800 0.243 0.000 3.781 48 G HA2 -0.436 3.524 3.960 -0.000 0.000 0.224 48 G HA3 -0.436 3.524 3.960 -0.000 0.000 0.224 48 G C 0.657 175.569 174.900 0.021 0.000 1.335 48 G CA 1.135 46.351 45.100 0.193 0.000 1.052 48 G HN 0.678 nan 8.290 nan 0.000 0.598 49 H N 1.079 120.069 119.070 -0.133 0.000 2.557 49 H HA 0.020 4.576 4.556 -0.000 0.000 0.287 49 H C 2.338 177.198 175.328 -0.780 0.000 1.043 49 H CA 1.115 56.855 56.048 -0.514 0.000 1.226 49 H CB -0.342 29.111 29.762 -0.515 0.000 1.361 49 H HN 0.733 nan 8.280 nan 0.000 0.592 50 F N 0.010 119.800 119.950 -0.266 0.000 2.234 50 F HA 0.007 4.534 4.527 -0.000 0.000 0.299 50 F C 2.354 178.096 175.800 -0.097 0.000 1.087 50 F CA 0.527 58.430 58.000 -0.163 0.000 1.340 50 F CB -0.567 38.472 39.000 0.064 0.000 1.031 50 F HN 0.017 nan 8.300 nan 0.000 0.500 51 A N 1.297 123.257 122.820 -1.434 0.000 1.873 51 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 51 A C 2.447 179.832 177.584 -0.332 0.000 1.186 51 A CA 2.163 53.661 52.037 -0.899 0.000 0.616 51 A CB -1.405 17.125 19.000 -0.784 0.000 0.823 51 A HN 0.537 nan 8.150 nan 0.000 0.442 52 S N -0.322 115.204 115.700 -0.291 0.000 2.399 52 S HA -0.009 4.461 4.470 -0.000 0.000 0.231 52 S C 1.966 176.404 174.600 -0.270 0.000 1.022 52 S CA 1.202 59.276 58.200 -0.210 0.000 0.983 52 S CB -1.087 61.881 63.200 -0.387 0.000 0.803 52 S HN 0.695 nan 8.310 nan 0.000 0.480 53 G N 1.683 110.279 108.800 -0.340 0.000 2.443 53 G HA2 0.030 3.990 3.960 -0.000 0.000 0.219 53 G HA3 0.030 3.990 3.960 -0.000 0.000 0.219 53 G C 1.359 176.214 174.900 -0.074 0.000 1.131 53 G CA 0.546 45.504 45.100 -0.237 0.000 0.775 53 G HN 0.496 nan 8.290 nan 0.000 0.547 54 L N 0.692 121.888 121.223 -0.046 0.000 2.079 54 L HA -0.033 4.307 4.340 -0.000 0.000 0.210 54 L C 2.937 179.867 176.870 0.100 0.000 1.081 54 L CA 1.037 55.904 54.840 0.044 0.000 0.752 54 L CB -0.390 41.691 42.059 0.038 0.000 0.896 54 L HN 0.330 nan 8.230 nan 0.000 0.433 55 G N -1.500 107.356 108.800 0.092 0.000 2.848 55 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.208 55 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.208 55 G C 1.277 176.264 174.900 0.145 0.000 1.152 55 G CA 0.982 46.205 45.100 0.205 0.000 0.789 55 G HN 0.466 nan 8.290 nan 0.000 0.531 56 T N -3.210 111.397 114.554 0.088 0.000 3.084 56 T HA 0.241 4.591 4.350 -0.000 0.000 0.270 56 T C 1.925 176.703 174.700 0.131 0.000 1.008 56 T CA 0.288 62.445 62.100 0.095 0.000 0.900 56 T CB 0.596 69.495 68.868 0.051 0.000 1.084 56 T HN -0.097 nan 8.240 nan 0.000 0.538 57 V N 2.188 122.186 119.914 0.140 0.000 2.252 57 V HA -0.204 3.916 4.120 -0.000 0.000 0.249 57 V C 2.696 178.885 176.094 0.158 0.000 1.056 57 V CA 2.297 64.685 62.300 0.146 0.000 1.022 57 V CB -0.637 31.272 31.823 0.144 0.000 0.641 57 V HN 0.455 nan 8.190 nan 0.000 0.445 58 E N -0.146 120.156 120.200 0.170 0.000 2.077 58 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 58 E C 1.875 178.546 176.600 0.118 0.000 0.989 58 E CA 1.020 57.503 56.400 0.138 0.000 0.800 58 E CB -0.542 29.250 29.700 0.152 0.000 0.746 58 E HN 0.470 nan 8.360 nan 0.000 0.452 59 L N 0.486 121.778 121.223 0.115 0.000 2.083 59 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 59 L C 1.879 178.863 176.870 0.190 0.000 1.083 59 L CA 1.909 56.817 54.840 0.113 0.000 0.752 59 L CB -0.836 41.284 42.059 0.102 0.000 0.899 59 L HN 0.092 nan 8.230 nan 0.000 0.433 60 T N -1.112 113.615 114.554 0.289 0.000 2.737 60 T HA -0.130 4.220 4.350 -0.000 0.000 0.265 60 T C 1.979 176.884 174.700 0.341 0.000 1.038 60 T CA 1.568 63.910 62.100 0.402 0.000 1.144 60 T CB -0.399 68.706 68.868 0.395 0.000 0.866 60 T HN 0.196 nan 8.240 nan 0.000 0.434 61 V N 1.945 122.009 119.914 0.250 0.000 2.255 61 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 61 V C 2.941 179.176 176.094 0.235 0.000 1.051 61 V CA 1.853 64.287 62.300 0.223 0.000 1.018 61 V CB -1.306 30.597 31.823 0.134 0.000 0.641 61 V HN 0.539 nan 8.190 nan 0.000 0.445 62 A N -0.440 122.482 122.820 0.169 0.000 1.908 62 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 62 A C 2.245 179.961 177.584 0.221 0.000 1.181 62 A CA 2.012 54.148 52.037 0.166 0.000 0.627 62 A CB -0.579 18.481 19.000 0.099 0.000 0.818 62 A HN 0.498 nan 8.150 nan 0.000 0.445 63 L N -1.498 119.817 121.223 0.155 0.000 1.994 63 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 63 L C 2.499 179.443 176.870 0.124 0.000 1.071 63 L CA 1.379 56.266 54.840 0.078 0.000 0.745 63 L CB -0.668 41.295 42.059 -0.159 0.000 0.892 63 L HN 0.469 nan 8.230 nan 0.000 0.431 64 H N -2.095 117.134 119.070 0.265 0.000 2.559 64 H HA -0.138 4.418 4.556 -0.000 0.000 0.273 64 H C 1.659 177.136 175.328 0.248 0.000 1.000 64 H CA 0.988 57.190 56.048 0.257 0.000 1.195 64 H CB 0.147 30.041 29.762 0.220 0.000 1.368 64 H HN 0.406 nan 8.280 nan 0.000 0.592 65 Y N 0.775 121.206 120.300 0.219 0.000 2.347 65 Y HA -0.090 4.460 4.550 -0.000 0.000 0.294 65 Y C 2.369 178.339 175.900 0.118 0.000 1.117 65 Y CA 0.896 59.087 58.100 0.152 0.000 1.184 65 Y CB 0.349 38.879 38.460 0.116 0.000 1.047 65 Y HN 0.037 nan 8.280 nan 0.000 0.546 66 V N -2.435 117.606 119.914 0.213 0.000 2.949 66 V HA 0.111 4.231 4.120 -0.000 0.000 0.245 66 V C 0.139 176.204 176.094 -0.048 0.000 1.086 66 V CA 0.178 62.508 62.300 0.049 0.000 1.097 66 V CB -0.985 30.871 31.823 0.055 0.000 0.762 66 V HN 0.105 nan 8.190 nan 0.000 0.470 67 Y N 1.887 122.200 120.300 0.022 0.000 2.309 67 Y HA 0.307 4.857 4.550 -0.000 0.000 0.327 67 Y C 1.095 177.036 175.900 0.068 0.000 1.172 67 Y CA 0.158 58.270 58.100 0.021 0.000 1.280 67 Y CB 0.580 39.028 38.460 -0.021 0.000 1.234 67 Y HN 0.176 nan 8.280 nan 0.000 0.512 68 N N 2.044 120.868 118.700 0.206 0.000 3.178 68 N HA -0.030 4.710 4.740 -0.000 0.000 0.300 68 N C -0.481 175.193 175.510 0.274 0.000 1.242 68 N CA -0.188 52.987 53.050 0.208 0.000 1.192 68 N CB 0.093 38.705 38.487 0.208 0.000 1.463 68 N HN 0.572 nan 8.380 nan 0.000 0.539 69 T N 0.586 115.321 114.554 0.302 0.000 2.910 69 T HA 0.239 4.589 4.350 -0.000 0.000 0.293 69 T C -1.512 173.340 174.700 0.254 0.000 1.015 69 T CA -1.786 60.499 62.100 0.310 0.000 1.094 69 T CB 1.291 70.473 68.868 0.522 0.000 0.968 69 T HN 0.322 nan 8.240 nan 0.000 0.521 70 P HA 0.075 nan 4.420 nan 0.000 0.253 70 P C 1.059 178.363 177.300 0.006 0.000 1.260 70 P CA 0.018 63.008 63.100 -0.185 0.000 0.800 70 P CB -0.090 31.199 31.700 -0.685 0.000 1.162 71 F N 1.856 121.783 119.950 -0.038 0.000 2.060 71 F HA 0.014 4.541 4.527 -0.000 0.000 0.295 71 F C 0.644 176.449 175.800 0.008 0.000 1.120 71 F CA 0.873 58.862 58.000 -0.020 0.000 1.205 71 F CB -0.787 38.211 39.000 -0.005 0.000 0.986 71 F HN -0.218 nan 8.300 nan 0.000 0.470 72 D N 1.624 122.011 120.400 -0.021 0.000 2.399 72 D HA 0.059 4.699 4.640 -0.000 0.000 0.241 72 D C -0.236 176.008 176.300 -0.094 0.000 1.133 72 D CA 0.222 54.162 54.000 -0.100 0.000 0.890 72 D CB 0.472 41.388 40.800 0.194 0.000 1.201 72 D HN 0.276 nan 8.370 nan 0.000 0.432 73 Q N 1.451 121.163 119.800 -0.147 0.000 2.360 73 Q HA 0.318 4.658 4.340 -0.000 0.000 0.254 73 Q C -0.524 175.354 176.000 -0.202 0.000 0.975 73 Q CA -0.804 54.913 55.803 -0.144 0.000 0.912 73 Q CB 1.654 30.300 28.738 -0.154 0.000 1.212 73 Q HN 0.263 nan 8.270 nan 0.000 0.452 74 L N 4.226 125.335 121.223 -0.190 0.000 2.296 74 L HA 0.561 4.901 4.340 -0.000 0.000 0.286 74 L C -1.168 175.513 176.870 -0.315 0.000 1.023 74 L CA -0.234 54.396 54.840 -0.351 0.000 0.812 74 L CB 0.872 42.727 42.059 -0.340 0.000 1.223 74 L HN 0.500 nan 8.230 nan 0.000 0.421 75 I N 4.463 124.774 120.570 -0.431 0.000 2.465 75 I HA 0.348 4.518 4.170 -0.000 0.000 0.291 75 I C -1.264 174.579 176.117 -0.456 0.000 1.014 75 I CA -0.389 60.724 61.300 -0.311 0.000 1.093 75 I CB 1.590 39.471 38.000 -0.199 0.000 1.267 75 I HN 0.615 nan 8.210 nan 0.000 0.431 76 W N 4.603 125.804 121.300 -0.165 0.000 2.429 76 W HA 0.326 4.986 4.660 -0.000 0.000 0.314 76 W C 0.123 176.584 176.519 -0.097 0.000 1.062 76 W CA -0.376 56.880 57.345 -0.149 0.000 1.211 76 W CB 0.940 30.306 29.460 -0.156 0.000 1.305 76 W HN 0.350 nan 8.180 nan 0.000 0.476 77 D N 1.852 122.316 120.400 0.106 0.000 2.308 77 D HA 0.189 4.829 4.640 -0.000 0.000 0.251 77 D C 0.998 177.358 176.300 0.099 0.000 1.127 77 D CA 0.542 54.576 54.000 0.055 0.000 0.876 77 D CB 1.512 42.307 40.800 -0.009 0.000 1.176 77 D HN 0.444 nan 8.370 nan 0.000 0.446 78 V N 3.715 123.659 119.914 0.051 0.000 0.516 78 V HA -0.421 3.699 4.120 -0.000 0.000 0.092 78 V C 1.645 177.719 176.094 -0.034 0.000 2.243 78 V CA 2.035 64.331 62.300 -0.007 0.000 3.573 78 V CB -2.006 29.857 31.823 0.067 0.000 0.862 78 V HN 0.933 nan 8.190 nan 0.000 0.902 79 G N -0.299 108.571 108.800 0.116 0.000 2.176 79 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.253 79 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.253 79 G C 0.368 175.388 174.900 0.199 0.000 0.979 79 G CA 1.000 46.195 45.100 0.159 0.000 0.641 79 G HN 1.937 nan 8.290 nan 0.000 0.530 80 H N 0.669 119.699 119.070 -0.067 0.000 2.556 80 H HA 0.108 4.664 4.556 -0.000 0.000 0.268 80 H C 1.691 176.759 175.328 -0.434 0.000 0.996 80 H CA 1.367 57.223 56.048 -0.321 0.000 1.157 80 H CB 0.150 29.349 29.762 -0.940 0.000 1.355 80 H HN 0.607 nan 8.280 nan 0.000 0.597 81 Q N 0.476 119.795 119.800 -0.801 0.000 2.172 81 Q HA 0.338 4.677 4.340 -0.000 0.000 0.217 81 Q C 0.391 176.030 176.000 -0.602 0.000 0.832 81 Q CA 0.235 55.613 55.803 -0.708 0.000 1.010 81 Q CB 0.103 28.461 28.738 -0.632 0.000 1.133 81 Q HN 0.389 nan 8.270 nan 0.000 0.489 82 A N 0.238 122.771 122.820 -0.478 0.000 2.577 82 A HA 0.267 4.587 4.320 -0.000 0.000 0.280 82 A C 0.250 177.807 177.584 -0.046 0.000 1.331 82 A CA -0.428 51.266 52.037 -0.572 0.000 0.935 82 A CB -0.309 18.299 19.000 -0.653 0.000 1.082 82 A HN 0.171 nan 8.150 nan 0.000 0.525 83 Y N 0.523 120.709 120.300 -0.189 0.000 2.200 83 Y HA -0.024 4.526 4.550 -0.000 0.000 0.290 83 Y C -0.505 175.362 175.900 -0.055 0.000 1.137 83 Y CA 1.179 59.237 58.100 -0.071 0.000 1.163 83 Y CB -1.652 36.799 38.460 -0.015 0.000 0.988 83 Y HN 0.304 nan 8.280 nan 0.000 0.518 84 P HA -0.168 nan 4.420 nan 0.000 0.216 84 P C 1.339 178.671 177.300 0.053 0.000 1.150 84 P CA 2.052 65.199 63.100 0.078 0.000 0.837 84 P CB -0.086 31.655 31.700 0.068 0.000 0.786 85 H N 0.447 119.469 119.070 -0.079 0.000 2.319 85 H HA -0.091 4.465 4.556 -0.000 0.000 0.299 85 H C 1.718 177.016 175.328 -0.050 0.000 1.092 85 H CA 1.981 58.029 56.048 0.001 0.000 1.302 85 H CB -0.302 29.377 29.762 -0.138 0.000 1.373 85 H HN -0.045 nan 8.280 nan 0.000 0.497 86 K N -0.161 120.172 120.400 -0.113 0.000 2.097 86 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 86 K C 2.303 178.783 176.600 -0.201 0.000 1.050 86 K CA 1.491 57.674 56.287 -0.173 0.000 0.938 86 K CB 0.030 32.491 32.500 -0.065 0.000 0.718 86 K HN 0.366 nan 8.250 nan 0.000 0.442 87 I N 0.982 121.478 120.570 -0.124 0.000 2.252 87 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 87 I C 1.907 177.900 176.117 -0.206 0.000 1.102 87 I CA 1.186 62.421 61.300 -0.109 0.000 1.385 87 I CB -0.133 37.877 38.000 0.016 0.000 1.064 87 I HN 0.116 nan 8.210 nan 0.000 0.414 88 L N 0.246 121.326 121.223 -0.237 0.000 2.554 88 L HA -0.015 4.325 4.340 -0.000 0.000 0.226 88 L C 1.181 177.741 176.870 -0.517 0.000 1.137 88 L CA 0.642 55.298 54.840 -0.306 0.000 0.863 88 L CB -0.520 41.404 42.059 -0.224 0.000 0.985 88 L HN 0.356 nan 8.230 nan 0.000 0.451 89 T N -3.347 110.833 114.554 -0.624 0.000 3.255 89 T HA 0.471 4.821 4.350 -0.000 0.000 0.243 89 T C 1.085 175.440 174.700 -0.574 0.000 1.057 89 T CA 0.081 61.637 62.100 -0.908 0.000 1.121 89 T CB 0.589 68.782 68.868 -1.126 0.000 1.104 89 T HN 0.348 nan 8.240 nan 0.000 0.571 90 G N 2.238 110.801 108.800 -0.395 0.000 2.179 90 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.260 90 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.260 90 G C 0.668 175.462 174.900 -0.176 0.000 0.977 90 G CA 0.068 45.027 45.100 -0.236 0.000 0.641 90 G HN 0.625 nan 8.290 nan 0.000 0.533 91 R N -0.439 119.948 120.500 -0.188 0.000 2.613 91 R HA 0.351 4.691 4.340 -0.000 0.000 0.361 91 R C 2.014 178.241 176.300 -0.122 0.000 1.072 91 R CA 0.010 56.030 56.100 -0.133 0.000 1.089 91 R CB 0.161 30.394 30.300 -0.110 0.000 1.343 91 R HN 0.343 nan 8.270 nan 0.000 0.571 92 R N 1.299 121.699 120.500 -0.166 0.000 2.096 92 R HA -0.159 4.181 4.340 -0.000 0.000 0.240 92 R C 0.262 176.534 176.300 -0.046 0.000 1.139 92 R CA 2.015 58.022 56.100 -0.156 0.000 0.952 92 R CB 0.096 30.161 30.300 -0.391 0.000 0.854 92 R HN 0.127 nan 8.270 nan 0.000 0.436 93 D N -0.256 120.075 120.400 -0.115 0.000 2.336 93 D HA -0.006 4.634 4.640 -0.000 0.000 0.229 93 D C 0.718 177.012 176.300 -0.010 0.000 1.061 93 D CA 0.704 54.685 54.000 -0.032 0.000 0.875 93 D CB 0.387 41.134 40.800 -0.087 0.000 0.904 93 D HN 0.328 nan 8.370 nan 0.000 0.525 94 K N -0.307 120.073 120.400 -0.034 0.000 2.402 94 K HA 0.139 4.459 4.320 -0.000 0.000 0.203 94 K C 1.471 178.026 176.600 -0.076 0.000 1.077 94 K CA -0.300 55.957 56.287 -0.051 0.000 1.051 94 K CB 0.858 33.321 32.500 -0.061 0.000 0.907 94 K HN -0.100 nan 8.250 nan 0.000 0.554 95 I N 1.736 122.265 120.570 -0.070 0.000 2.315 95 I HA -0.200 3.970 4.170 -0.000 0.000 0.251 95 I C 1.860 177.880 176.117 -0.161 0.000 1.125 95 I CA 1.533 62.752 61.300 -0.136 0.000 1.392 95 I CB -0.373 37.576 38.000 -0.086 0.000 1.065 95 I HN 0.210 nan 8.210 nan 0.000 0.424 96 G N -1.445 107.288 108.800 -0.112 0.000 2.535 96 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.218 96 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.218 96 G C 1.461 176.299 174.900 -0.104 0.000 1.122 96 G CA 1.152 46.187 45.100 -0.109 0.000 0.769 96 G HN 0.519 nan 8.290 nan 0.000 0.549 97 T N -1.996 112.491 114.554 -0.111 0.000 3.086 97 T HA 0.325 4.675 4.350 -0.000 0.000 0.250 97 T C 1.051 175.666 174.700 -0.143 0.000 1.074 97 T CA -0.577 61.458 62.100 -0.109 0.000 0.988 97 T CB 0.025 68.836 68.868 -0.094 0.000 0.988 97 T HN 0.136 nan 8.240 nan 0.000 0.530 98 I N 2.540 122.998 120.570 -0.186 0.000 2.775 98 I HA 0.074 4.244 4.170 -0.000 0.000 0.290 98 I C 0.796 176.803 176.117 -0.183 0.000 1.203 98 I CA 0.096 61.254 61.300 -0.237 0.000 1.433 98 I CB 0.206 37.953 38.000 -0.421 0.000 1.354 98 I HN 0.342 nan 8.210 nan 0.000 0.579 99 R N 2.543 122.923 120.500 -0.200 0.000 3.603 99 R HA -0.181 4.159 4.340 -0.000 0.000 0.479 99 R C -0.186 176.018 176.300 -0.160 0.000 0.745 99 R CA 0.879 56.870 56.100 -0.181 0.000 1.476 99 R CB -1.603 28.624 30.300 -0.122 0.000 2.147 99 R HN 0.738 nan 8.270 nan 0.000 0.447 100 Q N 1.628 121.338 119.800 -0.150 0.000 2.260 100 Q HA 0.348 4.688 4.340 -0.000 0.000 0.238 100 Q C 0.169 176.083 176.000 -0.144 0.000 0.948 100 Q CA -0.589 55.140 55.803 -0.124 0.000 0.895 100 Q CB 1.311 29.989 28.738 -0.100 0.000 1.218 100 Q HN 0.034 nan 8.270 nan 0.000 0.470 101 K N 0.107 120.438 120.400 -0.115 0.000 2.472 101 K HA 0.045 4.365 4.320 -0.000 0.000 0.280 101 K C 0.631 177.162 176.600 -0.115 0.000 1.028 101 K CA 1.112 57.330 56.287 -0.116 0.000 1.045 101 K CB -0.194 32.259 32.500 -0.079 0.000 0.902 101 K HN 0.802 nan 8.250 nan 0.000 0.478 102 G N 2.457 111.175 108.800 -0.138 0.000 2.189 102 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.267 102 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.267 102 G C 0.355 175.183 174.900 -0.120 0.000 0.975 102 G CA 0.185 45.215 45.100 -0.117 0.000 0.644 102 G HN 0.970 nan 8.290 nan 0.000 0.537 103 G N -1.081 107.628 108.800 -0.152 0.000 2.613 103 G HA2 0.681 4.641 3.960 -0.000 0.000 0.303 103 G HA3 0.681 4.641 3.960 -0.000 0.000 0.303 103 G C 0.404 175.203 174.900 -0.169 0.000 1.312 103 G CA -0.983 44.033 45.100 -0.140 0.000 1.036 103 G HN 0.658 nan 8.290 nan 0.000 0.513 104 L N 0.176 121.315 121.223 -0.140 0.000 2.529 104 L HA 0.037 4.377 4.340 -0.000 0.000 0.287 104 L C 0.552 177.322 176.870 -0.168 0.000 1.241 104 L CA -0.210 54.562 54.840 -0.114 0.000 0.857 104 L CB 0.129 42.114 42.059 -0.123 0.000 1.113 104 L HN 0.494 nan 8.230 nan 0.000 0.504 105 H N 3.994 122.953 119.070 -0.186 0.000 2.871 105 H HA 0.017 4.573 4.556 -0.000 0.000 0.355 105 H C -1.311 173.877 175.328 -0.234 0.000 1.092 105 H CA -0.781 55.126 56.048 -0.236 0.000 1.420 105 H CB 0.535 30.176 29.762 -0.202 0.000 1.400 105 H HN 0.365 nan 8.280 nan 0.000 0.604 106 P HA -0.145 nan 4.420 nan 0.000 0.220 106 P C -0.644 176.275 177.300 -0.635 0.000 1.148 106 P CA 1.380 64.138 63.100 -0.569 0.000 0.803 106 P CB 0.461 31.586 31.700 -0.958 0.000 0.782 107 F N -1.803 118.307 119.950 0.266 0.000 2.675 107 F HA 0.543 5.070 4.527 -0.000 0.000 0.324 107 F C -2.432 173.529 175.800 0.268 0.000 1.106 107 F CA -3.316 54.837 58.000 0.255 0.000 0.970 107 F CB -0.542 38.612 39.000 0.258 0.000 1.385 107 F HN -0.459 nan 8.300 nan 0.000 0.489 108 P HA -0.059 nan 4.420 nan 0.000 0.264 108 P C -1.095 176.435 177.300 0.383 0.000 1.183 108 P CA 0.309 63.617 63.100 0.347 0.000 0.763 108 P CB 0.367 32.236 31.700 0.281 0.000 0.807 109 W N 5.674 127.003 121.300 0.049 0.000 2.884 109 W HA 0.218 4.878 4.660 0.000 0.000 0.336 109 W C 0.497 176.980 176.519 -0.059 0.000 1.038 109 W CA -0.695 56.589 57.345 -0.101 0.000 1.247 109 W CB 1.339 30.517 29.460 -0.470 0.000 1.351 109 W HN 0.420 nan 8.180 nan 0.000 0.446 110 R N 2.015 122.342 120.500 -0.289 0.000 2.119 110 R HA -0.180 4.160 4.340 -0.000 0.000 0.246 110 R C 2.118 178.359 176.300 -0.097 0.000 1.146 110 R CA 2.132 58.117 56.100 -0.192 0.000 0.962 110 R CB -0.589 29.546 30.300 -0.275 0.000 0.863 110 R HN 0.594 nan 8.270 nan 0.000 0.442 111 G N 0.685 109.390 108.800 -0.158 0.000 2.509 111 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 111 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 111 G C 1.244 176.292 174.900 0.247 0.000 1.124 111 G CA 0.450 45.621 45.100 0.118 0.000 0.776 111 G HN 0.442 nan 8.290 nan 0.000 0.547 112 E N -0.729 119.680 120.200 0.349 0.000 2.170 112 E HA 0.108 4.458 4.350 -0.000 0.000 0.191 112 E C 0.777 177.481 176.600 0.174 0.000 0.981 112 E CA 0.573 57.127 56.400 0.256 0.000 0.830 112 E CB 0.192 30.058 29.700 0.276 0.000 0.775 112 E HN 0.275 nan 8.360 nan 0.000 0.470 113 S N -1.400 114.403 115.700 0.172 0.000 2.570 113 S HA 0.128 4.598 4.470 -0.000 0.000 0.270 113 S C 0.036 174.724 174.600 0.146 0.000 1.149 113 S CA -0.669 57.634 58.200 0.171 0.000 0.837 113 S CB 1.583 64.912 63.200 0.215 0.000 1.124 113 S HN 0.216 nan 8.310 nan 0.000 0.465 114 E N 0.963 121.240 120.200 0.128 0.000 2.152 114 E HA -0.064 4.286 4.350 -0.000 0.000 0.192 114 E C 0.395 176.953 176.600 -0.070 0.000 0.983 114 E CA 1.183 57.574 56.400 -0.015 0.000 0.818 114 E CB -0.097 29.536 29.700 -0.112 0.000 0.758 114 E HN 0.778 nan 8.360 nan 0.000 0.467 115 Y N 0.668 121.035 120.300 0.111 0.000 2.583 115 Y HA 0.010 4.560 4.550 -0.000 0.000 0.293 115 Y C 0.018 176.107 175.900 0.314 0.000 1.157 115 Y CA 0.272 58.489 58.100 0.196 0.000 1.315 115 Y CB 0.340 38.870 38.460 0.118 0.000 1.021 115 Y HN -0.116 nan 8.280 nan 0.000 0.536 116 D N -0.470 120.134 120.400 0.340 0.000 2.443 116 D HA 0.174 4.814 4.640 -0.000 0.000 0.221 116 D C 0.954 177.331 176.300 0.128 0.000 1.097 116 D CA 0.033 54.207 54.000 0.290 0.000 0.865 116 D CB 1.741 42.704 40.800 0.271 0.000 1.034 116 D HN -0.053 nan 8.370 nan 0.000 0.511 117 V N 2.031 122.003 119.914 0.096 0.000 2.453 117 V HA -0.031 4.089 4.120 -0.000 0.000 0.247 117 V C 0.805 176.883 176.094 -0.026 0.000 1.048 117 V CA 0.788 63.094 62.300 0.009 0.000 1.049 117 V CB -0.004 31.806 31.823 -0.022 0.000 0.672 117 V HN 0.416 nan 8.190 nan 0.000 0.457 118 L N 0.108 121.328 121.223 -0.005 0.000 2.409 118 L HA 0.515 4.854 4.340 -0.000 0.000 0.272 118 L C -0.438 176.425 176.870 -0.013 0.000 0.980 118 L CA 0.087 54.905 54.840 -0.036 0.000 0.826 118 L CB 1.844 43.885 42.059 -0.029 0.000 1.268 118 L HN 0.084 nan 8.230 nan 0.000 0.407 119 S N 4.249 119.888 115.700 -0.102 0.000 2.430 119 S HA 0.441 4.911 4.470 -0.000 0.000 0.282 119 S C 0.160 174.781 174.600 0.036 0.000 1.186 119 S CA -0.436 57.724 58.200 -0.067 0.000 1.060 119 S CB 0.322 63.284 63.200 -0.396 0.000 0.966 119 S HN 0.473 nan 8.310 nan 0.000 0.501 120 V N 1.390 121.396 119.914 0.153 0.000 3.096 120 V HA 1.082 5.202 4.120 -0.000 0.000 0.319 120 V C 0.715 176.882 176.094 0.122 0.000 1.103 120 V CA -0.125 62.240 62.300 0.109 0.000 1.016 120 V CB 1.472 33.347 31.823 0.087 0.000 1.090 120 V HN 0.790 nan 8.190 nan 0.000 0.449 121 G N -0.780 108.020 108.800 0.001 0.000 4.335 121 G HA2 0.136 4.096 3.960 -0.000 0.000 0.188 121 G HA3 0.136 4.096 3.960 -0.000 0.000 0.188 121 G C 0.129 175.102 174.900 0.122 0.000 1.061 121 G CA -0.233 44.835 45.100 -0.055 0.000 1.014 121 G HN 0.838 nan 8.290 nan 0.000 0.340 122 H N 1.528 120.605 119.070 0.012 0.000 2.679 122 H HA 0.459 5.015 4.556 -0.000 0.000 0.369 122 H C 0.754 176.052 175.328 -0.050 0.000 1.178 122 H CA 0.337 56.389 56.048 0.007 0.000 1.419 122 H CB 1.290 31.084 29.762 0.053 0.000 1.458 122 H HN 0.478 nan 8.280 nan 0.000 0.605 123 S N 0.140 115.844 115.700 0.007 0.000 2.707 123 S HA 0.180 4.650 4.470 -0.000 0.000 0.276 123 S C 0.578 175.169 174.600 -0.015 0.000 1.179 123 S CA -0.199 57.981 58.200 -0.034 0.000 0.992 123 S CB 1.461 64.600 63.200 -0.102 0.000 1.030 123 S HN 0.810 nan 8.310 nan 0.000 0.554 124 S N -1.018 114.666 115.700 -0.026 0.000 3.382 124 S HA -0.188 4.282 4.470 -0.000 0.000 0.293 124 S C 0.992 175.585 174.600 -0.012 0.000 1.262 124 S CA 1.272 59.456 58.200 -0.027 0.000 0.969 124 S CB -2.824 60.362 63.200 -0.024 0.000 1.136 124 S HN 1.311 nan 8.310 nan 0.000 0.635 125 T N -1.248 113.303 114.554 -0.004 0.000 3.037 125 T HA 0.141 4.491 4.350 -0.000 0.000 0.251 125 T C 1.939 176.627 174.700 -0.020 0.000 1.079 125 T CA 0.932 63.031 62.100 -0.002 0.000 1.067 125 T CB -0.148 68.723 68.868 0.005 0.000 0.948 125 T HN 0.720 nan 8.240 nan 0.000 0.496 126 S N 2.820 118.498 115.700 -0.036 0.000 2.359 126 S HA -0.136 4.334 4.470 -0.000 0.000 0.223 126 S C 1.986 176.546 174.600 -0.066 0.000 1.039 126 S CA 1.347 59.508 58.200 -0.064 0.000 1.042 126 S CB -1.085 62.056 63.200 -0.099 0.000 0.915 126 S HN 0.597 nan 8.310 nan 0.000 0.439 127 I N 1.802 122.338 120.570 -0.057 0.000 2.226 127 I HA -0.139 4.031 4.170 -0.000 0.000 0.245 127 I C 2.838 178.963 176.117 0.014 0.000 1.100 127 I CA 1.267 62.552 61.300 -0.025 0.000 1.374 127 I CB -0.776 37.215 38.000 -0.015 0.000 1.057 127 I HN 0.310 nan 8.210 nan 0.000 0.413 128 S N 0.937 116.648 115.700 0.018 0.000 2.353 128 S HA -0.191 4.279 4.470 -0.000 0.000 0.222 128 S C 2.293 176.906 174.600 0.022 0.000 1.035 128 S CA 1.588 59.812 58.200 0.039 0.000 1.025 128 S CB -0.407 62.812 63.200 0.031 0.000 0.902 128 S HN 0.559 nan 8.310 nan 0.000 0.440 129 A N 1.285 124.101 122.820 -0.006 0.000 1.930 129 A HA 0.104 4.424 4.320 -0.000 0.000 0.217 129 A C 2.319 179.884 177.584 -0.032 0.000 1.175 129 A CA 1.679 53.702 52.037 -0.022 0.000 0.627 129 A CB -1.368 17.610 19.000 -0.038 0.000 0.815 129 A HN 0.525 nan 8.150 nan 0.000 0.443 130 G N 0.213 108.989 108.800 -0.040 0.000 2.440 130 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 130 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 130 G C 1.506 176.384 174.900 -0.037 0.000 1.154 130 G CA 1.190 46.256 45.100 -0.056 0.000 0.767 130 G HN 0.495 nan 8.290 nan 0.000 0.552 131 I N 1.155 121.721 120.570 -0.006 0.000 2.202 131 I HA -0.070 4.100 4.170 -0.000 0.000 0.242 131 I C 3.090 179.199 176.117 -0.014 0.000 1.091 131 I CA 1.009 62.305 61.300 -0.007 0.000 1.368 131 I CB -0.488 37.533 38.000 0.035 0.000 1.058 131 I HN 0.240 nan 8.210 nan 0.000 0.410 132 G N 1.051 109.854 108.800 0.005 0.000 2.422 132 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.218 132 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.218 132 G C 1.706 176.591 174.900 -0.026 0.000 1.146 132 G CA 0.607 45.707 45.100 0.001 0.000 0.769 132 G HN 0.312 nan 8.290 nan 0.000 0.547 133 I N 1.127 121.671 120.570 -0.042 0.000 2.286 133 I HA -0.076 4.094 4.170 -0.000 0.000 0.245 133 I C 3.204 179.279 176.117 -0.071 0.000 1.104 133 I CA 0.884 62.147 61.300 -0.063 0.000 1.397 133 I CB -0.075 37.878 38.000 -0.079 0.000 1.072 133 I HN 0.229 nan 8.210 nan 0.000 0.417 134 A N 0.119 122.899 122.820 -0.068 0.000 1.969 134 A HA -0.108 4.211 4.320 -0.000 0.000 0.218 134 A C 2.411 179.957 177.584 -0.063 0.000 1.169 134 A CA 1.280 53.274 52.037 -0.071 0.000 0.635 134 A CB -0.769 18.190 19.000 -0.069 0.000 0.810 134 A HN 0.227 nan 8.150 nan 0.000 0.445 135 V N -0.228 119.653 119.914 -0.055 0.000 2.358 135 V HA -0.227 3.892 4.120 -0.000 0.000 0.246 135 V C 3.039 179.110 176.094 -0.038 0.000 1.047 135 V CA 1.908 64.180 62.300 -0.047 0.000 1.035 135 V CB -1.013 30.790 31.823 -0.033 0.000 0.658 135 V HN 0.600 nan 8.190 nan 0.000 0.452 136 A N -0.237 122.560 122.820 -0.039 0.000 1.969 136 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 136 A C 2.384 179.942 177.584 -0.043 0.000 1.169 136 A CA 1.847 53.862 52.037 -0.036 0.000 0.635 136 A CB -0.636 18.341 19.000 -0.038 0.000 0.810 136 A HN 0.558 nan 8.150 nan 0.000 0.445 137 A N -0.454 122.329 122.820 -0.061 0.000 1.930 137 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 137 A C 2.062 179.620 177.584 -0.043 0.000 1.175 137 A CA 1.724 53.718 52.037 -0.072 0.000 0.627 137 A CB -0.402 18.534 19.000 -0.106 0.000 0.815 137 A HN 0.503 nan 8.150 nan 0.000 0.443 138 E N 0.637 120.813 120.200 -0.041 0.000 2.106 138 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 138 E C 1.699 178.288 176.600 -0.019 0.000 0.984 138 E CA 1.346 57.727 56.400 -0.030 0.000 0.806 138 E CB -0.166 29.512 29.700 -0.038 0.000 0.750 138 E HN 0.665 nan 8.360 nan 0.000 0.458 139 K N 0.266 120.655 120.400 -0.019 0.000 2.228 139 K HA -0.070 4.249 4.320 -0.000 0.000 0.202 139 K C 2.152 178.750 176.600 -0.003 0.000 1.051 139 K CA 0.750 57.031 56.287 -0.011 0.000 0.960 139 K CB -0.002 32.492 32.500 -0.011 0.000 0.743 139 K HN 0.157 nan 8.250 nan 0.000 0.458 140 E N 0.498 120.697 120.200 -0.002 0.000 2.110 140 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 140 E C 0.971 177.587 176.600 0.026 0.000 0.988 140 E CA 1.089 57.498 56.400 0.014 0.000 0.804 140 E CB 0.003 29.712 29.700 0.016 0.000 0.745 140 E HN 0.390 nan 8.360 nan 0.000 0.458 141 G N 1.019 109.833 108.800 0.022 0.000 2.148 141 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.254 141 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.254 141 G C 0.685 175.615 174.900 0.050 0.000 0.981 141 G CA 0.774 45.889 45.100 0.026 0.000 0.670 141 G HN 0.191 nan 8.290 nan 0.000 0.528 142 K N 0.544 120.999 120.400 0.090 0.000 2.493 142 K HA 0.312 4.632 4.320 -0.000 0.000 0.207 142 K C 1.069 177.796 176.600 0.211 0.000 1.033 142 K CA 0.154 56.536 56.287 0.159 0.000 1.161 142 K CB -0.454 32.205 32.500 0.265 0.000 0.873 142 K HN 0.513 nan 8.250 nan 0.000 0.491 143 N N 1.211 119.980 118.700 0.115 0.000 2.708 143 N HA -0.261 4.479 4.740 -0.000 0.000 0.249 143 N C -0.694 174.886 175.510 0.118 0.000 1.097 143 N CA 0.101 53.208 53.050 0.095 0.000 0.710 143 N CB -0.213 38.327 38.487 0.087 0.000 1.032 143 N HN 0.292 nan 8.380 nan 0.000 0.551 144 R N 1.116 121.631 120.500 0.025 0.000 2.442 144 R HA 0.093 4.433 4.340 -0.000 0.000 0.291 144 R C -0.090 176.111 176.300 -0.164 0.000 1.069 144 R CA 0.013 55.940 56.100 -0.288 0.000 1.022 144 R CB 0.484 30.410 30.300 -0.624 0.000 0.976 144 R HN 0.116 nan 8.270 nan 0.000 0.443 145 R N 2.380 122.815 120.500 -0.109 0.000 2.536 145 R HA 0.351 4.691 4.340 -0.000 0.000 0.279 145 R C -0.484 175.817 176.300 0.001 0.000 1.001 145 R CA -0.523 55.582 56.100 0.009 0.000 1.027 145 R CB 1.660 32.027 30.300 0.112 0.000 1.096 145 R HN 0.563 nan 8.270 nan 0.000 0.502 146 T N 0.560 115.120 114.554 0.009 0.000 2.861 146 T HA 0.465 4.815 4.350 -0.000 0.000 0.287 146 T C -1.039 173.589 174.700 -0.120 0.000 1.003 146 T CA -0.649 61.401 62.100 -0.083 0.000 0.977 146 T CB 1.856 70.668 68.868 -0.094 0.000 0.996 146 T HN 0.329 nan 8.240 nan 0.000 0.448 147 V N 2.830 122.570 119.914 -0.290 0.000 2.777 147 V HA 0.648 4.768 4.120 -0.000 0.000 0.306 147 V C -1.422 174.408 176.094 -0.440 0.000 1.112 147 V CA -0.553 61.505 62.300 -0.403 0.000 0.917 147 V CB 1.087 32.456 31.823 -0.757 0.000 1.018 147 V HN 1.115 nan 8.190 nan 0.000 0.426 148 C N 5.643 124.712 119.300 -0.386 0.000 2.417 148 C HA 0.771 5.231 4.460 -0.000 0.000 0.324 148 C C -0.078 174.629 174.990 -0.471 0.000 1.240 148 C CA -0.856 57.922 59.018 -0.400 0.000 1.632 148 C CB 1.210 28.790 27.740 -0.267 0.000 2.241 148 C HN 0.712 nan 8.230 nan 0.000 0.499 149 V N 4.409 123.995 119.914 -0.546 0.000 2.347 149 V HA 0.508 4.627 4.120 -0.000 0.000 0.280 149 V C -0.197 175.731 176.094 -0.276 0.000 1.021 149 V CA -0.170 61.834 62.300 -0.494 0.000 0.847 149 V CB 1.221 32.591 31.823 -0.754 0.000 0.990 149 V HN 0.820 nan 8.190 nan 0.000 0.444 150 I N 3.476 123.893 120.570 -0.255 0.000 2.545 150 I HA 0.772 4.942 4.170 -0.000 0.000 0.292 150 I C 0.745 176.784 176.117 -0.131 0.000 1.040 150 I CA -0.359 60.842 61.300 -0.165 0.000 1.068 150 I CB 1.798 39.681 38.000 -0.195 0.000 1.251 150 I HN 0.703 nan 8.210 nan 0.000 0.424 151 G N 4.341 113.114 108.800 -0.045 0.000 2.606 151 G HA2 0.066 4.026 3.960 -0.000 0.000 0.252 151 G HA3 0.066 4.026 3.960 -0.000 0.000 0.252 151 G C 0.722 175.602 174.900 -0.033 0.000 1.206 151 G CA 0.020 45.114 45.100 -0.011 0.000 0.861 151 G HN 0.812 nan 8.290 nan 0.000 0.561 152 D N 0.132 120.526 120.400 -0.010 0.000 2.219 152 D HA -0.096 4.544 4.640 -0.000 0.000 0.205 152 D C 2.037 178.343 176.300 0.011 0.000 0.970 152 D CA 1.201 55.201 54.000 0.000 0.000 0.851 152 D CB -0.444 40.375 40.800 0.031 0.000 0.943 152 D HN 0.469 nan 8.370 nan 0.000 0.488 153 G N 0.840 109.649 108.800 0.016 0.000 2.408 153 G HA2 0.030 3.990 3.960 -0.000 0.000 0.215 153 G HA3 0.030 3.990 3.960 -0.000 0.000 0.215 153 G C 1.819 176.706 174.900 -0.021 0.000 1.156 153 G CA 0.898 46.000 45.100 0.004 0.000 0.793 153 G HN 0.462 nan 8.290 nan 0.000 0.535 154 A N 0.525 123.329 122.820 -0.026 0.000 1.968 154 A HA 0.198 4.517 4.320 -0.000 0.000 0.217 154 A C 2.144 179.691 177.584 -0.061 0.000 1.169 154 A CA 0.708 52.717 52.037 -0.047 0.000 0.638 154 A CB -0.293 18.686 19.000 -0.036 0.000 0.812 154 A HN 0.371 nan 8.150 nan 0.000 0.446 155 I N -0.450 120.078 120.570 -0.071 0.000 3.456 155 I HA -0.083 4.087 4.170 -0.000 0.000 0.291 155 I C 1.694 177.716 176.117 -0.159 0.000 1.307 155 I CA 0.815 62.042 61.300 -0.121 0.000 1.333 155 I CB 0.020 37.966 38.000 -0.089 0.000 1.032 155 I HN 0.214 nan 8.210 nan 0.000 0.506 156 T N 0.791 115.314 114.554 -0.052 0.000 3.067 156 T HA 0.226 4.575 4.350 -0.000 0.000 0.261 156 T C 0.917 175.713 174.700 0.160 0.000 1.110 156 T CA 0.538 62.667 62.100 0.048 0.000 1.113 156 T CB -0.100 68.791 68.868 0.039 0.000 0.917 156 T HN 0.413 nan 8.240 nan 0.000 0.499 157 A N 0.655 123.523 122.820 0.080 0.000 2.332 157 A HA 0.645 4.965 4.320 -0.000 0.000 0.258 157 A C 1.087 178.836 177.584 0.276 0.000 1.087 157 A CA -0.209 51.903 52.037 0.124 0.000 0.802 157 A CB -0.116 18.906 19.000 0.036 0.000 1.042 157 A HN 0.397 nan 8.150 nan 0.000 0.489 161 F N 1.977 121.948 119.950 0.034 0.000 2.134 161 F HA -0.062 4.465 4.527 -0.000 0.000 0.299 161 F C 2.314 178.146 175.800 0.054 0.000 1.097 161 F CA 2.064 60.085 58.000 0.036 0.000 1.264 161 F CB -0.166 38.837 39.000 0.004 0.000 1.001 161 F HN 0.344 nan 8.300 nan 0.000 0.479 162 E N 0.683 121.028 120.200 0.242 0.000 2.051 162 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 162 E C 1.534 178.231 176.600 0.162 0.000 0.991 162 E CA 0.649 57.143 56.400 0.155 0.000 0.799 162 E CB -0.382 29.377 29.700 0.098 0.000 0.748 162 E HN 0.327 nan 8.360 nan 0.000 0.449 166 H N 1.255 120.388 119.070 0.104 0.000 2.353 166 H HA 0.032 4.588 4.556 -0.000 0.000 0.300 166 H C 1.808 177.169 175.328 0.056 0.000 1.090 166 H CA 1.742 57.830 56.048 0.067 0.000 1.327 166 H CB 0.428 30.223 29.762 0.056 0.000 1.383 166 H HN 0.304 nan 8.280 nan 0.000 0.508 167 A N 0.591 123.451 122.820 0.067 0.000 1.883 167 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 167 A C 2.685 180.198 177.584 -0.118 0.000 1.186 167 A CA 1.565 53.557 52.037 -0.074 0.000 0.624 167 A CB -1.383 17.651 19.000 0.057 0.000 0.822 167 A HN 0.595 nan 8.150 nan 0.000 0.444 168 G N -0.730 108.078 108.800 0.013 0.000 2.462 168 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 168 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 168 G C 1.200 176.089 174.900 -0.019 0.000 1.121 168 G CA 1.288 46.386 45.100 -0.003 0.000 0.758 168 G HN 0.507 nan 8.290 nan 0.000 0.559 169 D N 0.493 120.892 120.400 -0.001 0.000 2.146 169 D HA -0.034 4.606 4.640 -0.000 0.000 0.209 169 D C 2.726 178.995 176.300 -0.052 0.000 0.973 169 D CA 1.007 55.009 54.000 0.003 0.000 0.860 169 D CB -0.187 40.658 40.800 0.074 0.000 1.015 169 D HN 0.496 nan 8.370 nan 0.000 0.465 170 I N -1.649 118.844 120.570 -0.128 0.000 2.928 170 I HA 0.076 4.246 4.170 -0.000 0.000 0.266 170 I C -0.242 175.787 176.117 -0.147 0.000 1.234 170 I CA 0.209 61.418 61.300 -0.152 0.000 1.483 170 I CB -0.002 37.845 38.000 -0.255 0.000 1.097 170 I HN -0.181 nan 8.210 nan 0.000 0.455 171 R N 0.898 121.297 120.500 -0.168 0.000 3.152 171 R HA -0.096 4.244 4.340 -0.000 0.000 0.252 171 R C -2.339 173.865 176.300 -0.161 0.000 0.930 171 R CA 0.388 56.384 56.100 -0.173 0.000 0.642 171 R CB -2.136 28.090 30.300 -0.124 0.000 1.205 171 R HN 0.447 nan 8.270 nan 0.000 0.452 172 P HA 0.261 nan 4.420 nan 0.000 0.279 172 P C -0.135 177.089 177.300 -0.127 0.000 1.252 172 P CA -0.357 62.662 63.100 -0.135 0.000 0.811 172 P CB 0.893 32.515 31.700 -0.130 0.000 1.035 176 V N 6.277 126.099 119.914 -0.153 0.000 2.384 176 V HA 0.561 4.681 4.120 -0.000 0.000 0.287 176 V C 0.043 175.722 176.094 -0.692 0.000 1.020 176 V CA -0.259 61.812 62.300 -0.382 0.000 0.850 176 V CB 1.590 33.184 31.823 -0.382 0.000 0.987 176 V HN 0.605 nan 8.190 nan 0.000 0.436 177 I N 5.852 126.054 120.570 -0.614 0.000 2.355 177 I HA 0.320 4.489 4.170 -0.000 0.000 0.288 177 I C -0.524 175.227 176.117 -0.610 0.000 0.999 177 I CA -0.730 60.208 61.300 -0.603 0.000 1.163 177 I CB 1.716 39.465 38.000 -0.418 0.000 1.316 177 I HN 0.398 nan 8.210 nan 0.000 0.454 178 L N 7.530 128.328 121.223 -0.708 0.000 2.295 178 L HA 0.280 4.620 4.340 -0.000 0.000 0.288 178 L C 0.103 176.805 176.870 -0.279 0.000 1.079 178 L CA 0.105 54.634 54.840 -0.518 0.000 0.830 178 L CB 0.100 41.809 42.059 -0.582 0.000 1.200 178 L HN 0.477 nan 8.230 nan 0.000 0.438 179 N N 3.163 121.750 118.700 -0.189 0.000 2.807 179 N HA 0.068 4.808 4.740 -0.000 0.000 0.259 179 N C -1.041 174.449 175.510 -0.033 0.000 1.149 179 N CA -0.234 52.766 53.050 -0.084 0.000 1.042 179 N CB 0.007 38.471 38.487 -0.039 0.000 1.367 179 N HN 0.528 nan 8.380 nan 0.000 0.516 180 D N 1.812 122.213 120.400 0.002 0.000 2.396 180 D HA 0.131 4.771 4.640 -0.000 0.000 0.225 180 D C -0.094 176.265 176.300 0.097 0.000 1.121 180 D CA -0.431 53.608 54.000 0.066 0.000 0.853 180 D CB 0.256 41.151 40.800 0.158 0.000 1.043 180 D HN 0.545 nan 8.370 nan 0.000 0.500 181 N N 2.992 121.742 118.700 0.083 0.000 2.321 181 N HA 0.114 4.854 4.740 -0.000 0.000 0.242 181 N C -0.234 175.329 175.510 0.087 0.000 1.141 181 N CA -0.489 52.614 53.050 0.089 0.000 0.864 181 N CB -0.208 38.334 38.487 0.093 0.000 1.100 181 N HN 0.471 nan 8.380 nan 0.000 0.510 241 T N 0.431 114.719 114.554 -0.444 0.000 2.995 241 T HA 0.122 4.472 4.350 -0.000 0.000 0.269 241 T C 2.409 176.932 174.700 -0.294 0.000 1.091 241 T CA 1.494 63.414 62.100 -0.299 0.000 1.128 241 T CB 0.136 68.889 68.868 -0.191 0.000 0.891 241 T HN 0.352 nan 8.240 nan 0.000 0.492 242 L N -0.634 120.326 121.223 -0.438 0.000 2.141 242 L HA 0.140 4.479 4.340 -0.000 0.000 0.209 242 L C 1.946 178.541 176.870 -0.460 0.000 1.094 242 L CA 1.367 55.933 54.840 -0.457 0.000 0.763 242 L CB -0.392 41.313 42.059 -0.589 0.000 0.908 242 L HN 0.152 nan 8.230 nan 0.000 0.437 243 F N 0.416 120.170 119.950 -0.327 0.000 2.325 243 F HA -0.086 4.440 4.527 -0.000 0.000 0.299 243 F C 2.400 178.120 175.800 -0.133 0.000 1.090 243 F CA 0.992 58.755 58.000 -0.395 0.000 1.392 243 F CB -0.514 37.964 39.000 -0.870 0.000 1.053 243 F HN 0.163 nan 8.300 nan 0.000 0.521 244 E N 0.076 120.287 120.200 0.019 0.000 2.072 244 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 244 E C 2.010 178.646 176.600 0.059 0.000 0.982 244 E CA 0.931 57.377 56.400 0.078 0.000 0.803 244 E CB -0.171 29.543 29.700 0.023 0.000 0.755 244 E HN 0.322 nan 8.360 nan 0.000 0.453 245 E N 1.020 121.217 120.200 -0.005 0.000 2.110 245 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 245 E C 2.173 178.805 176.600 0.053 0.000 0.988 245 E CA 0.738 57.139 56.400 0.002 0.000 0.804 245 E CB -0.208 29.467 29.700 -0.041 0.000 0.745 245 E HN 0.329 nan 8.360 nan 0.000 0.458 246 L N -0.496 120.780 121.223 0.088 0.000 2.456 246 L HA -0.027 4.312 4.340 -0.000 0.000 0.224 246 L C 1.503 178.524 176.870 0.252 0.000 1.148 246 L CA 0.808 55.754 54.840 0.176 0.000 0.825 246 L CB -0.273 41.910 42.059 0.205 0.000 0.937 246 L HN 0.309 nan 8.230 nan 0.000 0.450 247 G N -1.473 107.460 108.800 0.222 0.000 2.184 247 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.206 247 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.206 247 G C 0.032 175.003 174.900 0.120 0.000 0.995 247 G CA -0.678 44.506 45.100 0.141 0.000 0.651 247 G HN 0.087 nan 8.290 nan 0.000 0.511 248 F N 0.815 120.818 119.950 0.088 0.000 2.378 248 F HA 0.631 5.158 4.527 -0.000 0.000 0.325 248 F C 0.651 176.531 175.800 0.133 0.000 1.097 248 F CA -1.171 56.904 58.000 0.125 0.000 1.079 248 F CB 1.143 40.258 39.000 0.192 0.000 1.240 248 F HN 0.034 nan 8.300 nan 0.000 0.519 249 N N 1.569 120.449 118.700 0.300 0.000 2.437 249 N HA 0.073 4.813 4.740 -0.000 0.000 0.243 249 N C -1.440 174.261 175.510 0.317 0.000 1.041 249 N CA -0.252 52.937 53.050 0.231 0.000 0.940 249 N CB -0.030 38.535 38.487 0.131 0.000 1.133 249 N HN 0.463 nan 8.380 nan 0.000 0.506 250 Y N 4.140 124.548 120.300 0.180 0.000 2.316 250 Y HA 0.466 5.016 4.550 -0.000 0.000 0.331 250 Y C -0.715 175.278 175.900 0.155 0.000 1.083 250 Y CA -0.524 57.687 58.100 0.185 0.000 1.206 250 Y CB 0.537 39.072 38.460 0.125 0.000 1.195 250 Y HN 0.437 nan 8.280 nan 0.000 0.497 251 I N 6.384 126.755 120.570 -0.332 0.000 2.405 251 I HA 0.326 4.496 4.170 -0.000 0.000 0.280 251 I C 0.647 176.499 176.117 -0.442 0.000 1.027 251 I CA -0.474 60.692 61.300 -0.223 0.000 1.161 251 I CB 0.859 38.793 38.000 -0.110 0.000 1.300 251 I HN 0.851 nan 8.210 nan 0.000 0.463 252 G N 7.574 116.290 108.800 -0.139 0.000 2.863 252 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.225 252 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.225 252 G C -2.457 172.379 174.900 -0.107 0.000 1.152 252 G CA -0.639 44.488 45.100 0.046 0.000 0.857 252 G HN 0.392 nan 8.290 nan 0.000 0.527 253 P HA 0.211 nan 4.420 nan 0.000 0.261 253 P C 0.290 177.526 177.300 -0.106 0.000 1.183 253 P CA -0.019 62.934 63.100 -0.246 0.000 0.761 253 P CB 0.798 32.278 31.700 -0.367 0.000 0.785 254 V N 0.179 120.049 119.914 -0.074 0.000 3.158 254 V HA 0.580 4.700 4.120 -0.000 0.000 0.315 254 V C -0.209 175.868 176.094 -0.028 0.000 1.148 254 V CA -1.089 61.187 62.300 -0.041 0.000 1.042 254 V CB 2.038 33.839 31.823 -0.037 0.000 1.101 254 V HN 0.228 nan 8.190 nan 0.000 0.448 255 D N 1.395 121.789 120.400 -0.011 0.000 2.346 255 D HA 0.296 4.936 4.640 -0.000 0.000 0.260 255 D C 1.193 177.476 176.300 -0.028 0.000 1.252 255 D CA 0.808 54.809 54.000 0.002 0.000 0.895 255 D CB 1.217 42.036 40.800 0.032 0.000 1.097 255 D HN 0.915 nan 8.370 nan 0.000 0.489 256 G N 3.019 111.761 108.800 -0.096 0.000 2.848 256 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.208 256 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.208 256 G C 0.916 175.649 174.900 -0.277 0.000 1.152 256 G CA 0.195 45.179 45.100 -0.194 0.000 0.789 256 G HN 0.599 nan 8.290 nan 0.000 0.531 257 H N -0.218 118.872 119.070 0.033 0.000 2.528 257 H HA 0.138 4.694 4.556 -0.000 0.000 0.282 257 H C -0.486 174.859 175.328 0.028 0.000 1.097 257 H CA -0.312 55.757 56.048 0.035 0.000 1.121 257 H CB 0.944 30.728 29.762 0.036 0.000 1.590 257 H HN 0.228 nan 8.280 nan 0.000 0.553 258 D N 1.608 122.063 120.400 0.093 0.000 2.493 258 D HA 0.027 4.667 4.640 -0.000 0.000 0.235 258 D C 1.361 177.684 176.300 0.039 0.000 1.117 258 D CA -0.267 53.770 54.000 0.061 0.000 0.930 258 D CB 0.805 41.629 40.800 0.040 0.000 1.010 258 D HN -0.053 nan 8.370 nan 0.000 0.514 259 V N 4.381 124.321 119.914 0.043 0.000 2.282 259 V HA -0.253 3.866 4.120 -0.000 0.000 0.249 259 V C 2.185 178.276 176.094 -0.005 0.000 1.057 259 V CA 1.806 64.120 62.300 0.022 0.000 1.032 259 V CB -0.216 31.615 31.823 0.014 0.000 0.645 259 V HN 0.593 nan 8.190 nan 0.000 0.447 260 L N -0.139 121.077 121.223 -0.012 0.000 2.109 260 L HA 0.015 4.355 4.340 -0.000 0.000 0.207 260 L C 2.642 179.512 176.870 -0.000 0.000 1.086 260 L CA 1.452 56.279 54.840 -0.021 0.000 0.760 260 L CB -1.169 40.878 42.059 -0.020 0.000 0.910 260 L HN 0.480 nan 8.230 nan 0.000 0.437 261 G N 0.116 108.921 108.800 0.007 0.000 2.408 261 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 261 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 261 G C 1.641 176.547 174.900 0.010 0.000 1.150 261 G CA 0.391 45.496 45.100 0.010 0.000 0.776 261 G HN 0.205 nan 8.290 nan 0.000 0.542 262 L N -0.032 121.198 121.223 0.012 0.000 2.109 262 L HA 0.076 4.415 4.340 -0.000 0.000 0.207 262 L C 2.810 179.701 176.870 0.034 0.000 1.086 262 L CA 0.446 55.295 54.840 0.015 0.000 0.760 262 L CB -0.283 41.786 42.059 0.016 0.000 0.910 262 L HN 0.189 nan 8.230 nan 0.000 0.437 263 I N -0.472 120.122 120.570 0.040 0.000 2.226 263 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 263 I C 2.499 178.653 176.117 0.062 0.000 1.100 263 I CA 1.540 62.884 61.300 0.074 0.000 1.374 263 I CB -0.403 37.630 38.000 0.055 0.000 1.057 263 I HN 0.251 nan 8.210 nan 0.000 0.413 264 T N -0.086 114.490 114.554 0.038 0.000 2.708 264 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 264 T C 1.897 176.607 174.700 0.018 0.000 1.037 264 T CA 2.044 64.161 62.100 0.028 0.000 1.146 264 T CB -0.309 68.571 68.868 0.019 0.000 0.865 264 T HN 0.364 nan 8.240 nan 0.000 0.435 265 T N 2.402 116.965 114.554 0.014 0.000 2.708 265 T HA 0.057 4.407 4.350 -0.000 0.000 0.266 265 T C 2.010 176.714 174.700 0.007 0.000 1.037 265 T CA 0.871 62.974 62.100 0.005 0.000 1.146 265 T CB -0.457 68.409 68.868 -0.004 0.000 0.865 265 T HN 0.226 nan 8.240 nan 0.000 0.435 266 L N 0.662 121.899 121.223 0.023 0.000 2.083 266 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 266 L C 2.729 179.591 176.870 -0.013 0.000 1.083 266 L CA 1.320 56.186 54.840 0.043 0.000 0.752 266 L CB -0.460 41.664 42.059 0.108 0.000 0.899 266 L HN 0.213 nan 8.230 nan 0.000 0.433 267 K N 0.085 120.475 120.400 -0.017 0.000 2.026 267 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 267 K C 0.923 177.486 176.600 -0.061 0.000 1.048 267 K CA 0.816 57.067 56.287 -0.060 0.000 0.929 267 K CB 0.090 32.580 32.500 -0.017 0.000 0.713 267 K HN 0.282 nan 8.250 nan 0.000 0.439 271 D N 1.179 121.529 120.400 -0.083 0.000 2.333 271 D HA 0.100 4.740 4.640 -0.000 0.000 0.208 271 D C 0.602 176.880 176.300 -0.036 0.000 0.984 271 D CA 0.392 54.357 54.000 -0.058 0.000 0.873 271 D CB 0.370 41.139 40.800 -0.052 0.000 0.935 271 D HN 0.242 nan 8.370 nan 0.000 0.521 272 L N 0.850 122.056 121.223 -0.027 0.000 2.473 272 L HA 0.073 4.413 4.340 -0.000 0.000 0.268 272 L C 0.766 177.623 176.870 -0.023 0.000 1.215 272 L CA -0.065 54.764 54.840 -0.018 0.000 0.823 272 L CB 0.384 42.439 42.059 -0.007 0.000 1.099 272 L HN -0.354 nan 8.230 nan 0.000 0.483 273 K N 0.666 121.051 120.400 -0.024 0.000 2.098 273 K HA 0.616 4.936 4.320 -0.000 0.000 0.261 273 K C 0.149 176.719 176.600 -0.050 0.000 0.987 273 K CA 0.530 56.797 56.287 -0.035 0.000 0.916 273 K CB 1.266 33.747 32.500 -0.032 0.000 1.039 273 K HN 0.758 nan 8.250 nan 0.000 0.455 274 G N 2.250 111.006 108.800 -0.072 0.000 2.804 274 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.230 274 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.230 274 G C -2.467 172.338 174.900 -0.159 0.000 1.386 274 G CA -1.161 43.869 45.100 -0.116 0.000 0.875 274 G HN 0.462 nan 8.290 nan 0.000 0.557 275 P HA 0.169 nan 4.420 nan 0.000 0.259 275 P C -0.221 176.938 177.300 -0.234 0.000 1.211 275 P CA 0.551 63.311 63.100 -0.567 0.000 0.810 275 P CB 0.514 31.459 31.700 -1.258 0.000 0.815 276 Q N 2.602 122.421 119.800 0.033 0.000 2.274 276 Q HA 0.511 4.851 4.340 -0.000 0.000 0.260 276 Q C -0.974 175.269 176.000 0.406 0.000 0.974 276 Q CA -0.426 55.492 55.803 0.191 0.000 0.876 276 Q CB 2.009 30.795 28.738 0.079 0.000 1.297 276 Q HN 0.386 nan 8.270 nan 0.000 0.446 277 F N 2.648 122.706 119.950 0.179 0.000 2.579 277 F HA 0.371 4.898 4.527 -0.000 0.000 0.325 277 F C -1.587 174.110 175.800 -0.172 0.000 1.162 277 F CA -1.086 56.920 58.000 0.010 0.000 0.946 277 F CB 1.087 40.092 39.000 0.007 0.000 1.211 277 F HN 0.377 nan 8.300 nan 0.000 0.447 278 L N 6.749 127.779 121.223 -0.322 0.000 2.313 278 L HA 0.461 4.801 4.340 -0.000 0.000 0.283 278 L C -1.420 175.280 176.870 -0.283 0.000 1.013 278 L CA -0.337 54.358 54.840 -0.242 0.000 0.816 278 L CB 0.779 42.722 42.059 -0.194 0.000 1.236 278 L HN 0.599 nan 8.230 nan 0.000 0.419 279 H N 6.243 125.151 119.070 -0.271 0.000 2.581 279 H HA 0.472 5.028 4.556 -0.000 0.000 0.308 279 H C -0.562 174.701 175.328 -0.109 0.000 1.040 279 H CA -0.549 55.419 56.048 -0.132 0.000 1.231 279 H CB 0.683 30.440 29.762 -0.009 0.000 1.396 279 H HN 0.762 nan 8.280 nan 0.000 0.467 283 K N 1.170 121.838 120.400 0.445 0.000 2.298 283 K HA 0.398 4.718 4.320 -0.000 0.000 0.280 283 K C 1.143 177.840 176.600 0.161 0.000 1.032 283 K CA -0.747 55.684 56.287 0.240 0.000 0.958 283 K CB 0.712 33.304 32.500 0.153 0.000 0.978 283 K HN 0.425 nan 8.250 nan 0.000 0.472 284 K N 1.748 122.212 120.400 0.106 0.000 2.186 284 K HA 0.019 4.339 4.320 -0.000 0.000 0.202 284 K C 0.782 177.423 176.600 0.068 0.000 1.052 284 K CA 1.134 57.473 56.287 0.087 0.000 0.965 284 K CB -0.228 32.311 32.500 0.064 0.000 0.746 284 K HN 0.988 nan 8.250 nan 0.000 0.457 285 G N 1.146 109.979 108.800 0.054 0.000 2.645 285 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.239 285 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.239 285 G C 0.189 175.107 174.900 0.030 0.000 1.331 285 G CA 0.054 45.177 45.100 0.039 0.000 0.890 285 G HN 0.204 nan 8.290 nan 0.000 0.572 286 R N 1.548 122.065 120.500 0.029 0.000 2.307 286 R HA 0.324 4.663 4.340 -0.000 0.000 0.199 286 R C 1.659 177.960 176.300 0.001 0.000 1.000 286 R CA 1.769 57.883 56.100 0.023 0.000 1.023 286 R CB -1.027 29.299 30.300 0.044 0.000 0.908 286 R HN 2.348 nan 8.270 nan 0.000 0.473 287 G N 0.689 109.486 108.800 -0.005 0.000 2.627 287 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.214 287 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.214 287 G C -1.079 173.820 174.900 -0.001 0.000 1.331 287 G CA -0.295 44.764 45.100 -0.069 0.000 0.891 287 G HN 0.292 nan 8.290 nan 0.000 0.539 288 Y N -2.189 118.125 120.300 0.024 0.000 2.597 288 Y HA 0.810 5.360 4.550 -0.000 0.000 0.340 288 Y C -0.214 175.739 175.900 0.089 0.000 1.097 288 Y CA -0.825 57.301 58.100 0.043 0.000 1.037 288 Y CB 1.105 39.607 38.460 0.070 0.000 1.305 288 Y HN 0.876 nan 8.280 nan 0.000 0.463 289 E N 4.523 124.888 120.200 0.275 0.000 2.415 289 E HA 0.185 4.535 4.350 -0.000 0.000 0.263 289 E C -2.135 174.656 176.600 0.318 0.000 0.995 289 E CA -1.676 54.851 56.400 0.212 0.000 0.915 289 E CB 0.585 30.391 29.700 0.177 0.000 0.951 289 E HN 0.545 nan 8.360 nan 0.000 0.449 290 P HA 0.080 nan 4.420 nan 0.000 0.272 290 P C -0.796 176.724 177.300 0.366 0.000 1.240 290 P CA -0.354 62.932 63.100 0.311 0.000 0.791 290 P CB 0.852 32.691 31.700 0.230 0.000 0.978 319 P HA 0.419 nan 4.420 nan 0.000 0.272 319 P C -0.745 176.464 177.300 -0.152 0.000 1.223 319 P CA -0.315 62.730 63.100 -0.092 0.000 0.784 319 P CB 0.733 32.377 31.700 -0.094 0.000 0.923 320 S N 0.766 116.408 115.700 -0.096 0.000 2.646 320 S HA 0.238 4.708 4.470 -0.000 0.000 0.276 320 S C 0.692 175.208 174.600 -0.140 0.000 1.222 320 S CA -0.311 57.834 58.200 -0.091 0.000 1.014 320 S CB 0.221 63.444 63.200 0.040 0.000 0.991 320 S HN 0.313 nan 8.310 nan 0.000 0.533 321 Y N 1.444 121.746 120.300 0.005 0.000 2.256 321 Y HA -0.123 4.427 4.550 -0.000 0.000 0.288 321 Y C 2.998 178.838 175.900 -0.099 0.000 1.155 321 Y CA 1.820 59.850 58.100 -0.117 0.000 1.203 321 Y CB -0.822 37.570 38.460 -0.112 0.000 0.980 321 Y HN 0.681 nan 8.280 nan 0.000 0.530 322 S N -0.298 115.540 115.700 0.230 0.000 2.383 322 S HA -0.228 4.242 4.470 -0.000 0.000 0.229 322 S C 1.998 176.748 174.600 0.249 0.000 1.030 322 S CA 1.611 59.998 58.200 0.311 0.000 1.002 322 S CB -0.258 63.121 63.200 0.298 0.000 0.829 322 S HN 0.260 nan 8.310 nan 0.000 0.467 323 K N 1.732 122.214 120.400 0.137 0.000 2.057 323 K HA 0.044 4.364 4.320 -0.000 0.000 0.206 323 K C 1.782 178.428 176.600 0.076 0.000 1.050 323 K CA 1.039 57.382 56.287 0.094 0.000 0.935 323 K CB -0.599 31.926 32.500 0.041 0.000 0.715 323 K HN 0.173 nan 8.250 nan 0.000 0.439 324 I N 0.791 121.381 120.570 0.033 0.000 2.127 324 I HA -0.257 3.912 4.170 -0.000 0.000 0.241 324 I C 2.227 178.413 176.117 0.116 0.000 1.075 324 I CA 1.322 62.638 61.300 0.027 0.000 1.334 324 I CB -1.152 36.815 38.000 -0.054 0.000 1.040 324 I HN 0.149 nan 8.210 nan 0.000 0.405 325 F N 2.136 122.068 119.950 -0.030 0.000 2.091 325 F HA -0.170 4.357 4.527 -0.000 0.000 0.299 325 F C 2.434 178.348 175.800 0.191 0.000 1.103 325 F CA 1.821 59.858 58.000 0.063 0.000 1.228 325 F CB -0.970 38.053 39.000 0.039 0.000 0.984 325 F HN 0.065 nan 8.300 nan 0.000 0.477 326 G N -0.255 108.527 108.800 -0.030 0.000 2.418 326 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.217 326 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.217 326 G C 1.375 176.237 174.900 -0.063 0.000 1.158 326 G CA 1.045 46.076 45.100 -0.115 0.000 0.771 326 G HN 0.369 nan 8.290 nan 0.000 0.545 327 D N -0.379 120.033 120.400 0.020 0.000 2.117 327 D HA -0.099 4.541 4.640 -0.000 0.000 0.198 327 D C 1.866 178.177 176.300 0.019 0.000 0.982 327 D CA 0.647 54.669 54.000 0.036 0.000 0.828 327 D CB -0.384 40.448 40.800 0.052 0.000 0.967 327 D HN 0.526 nan 8.370 nan 0.000 0.464 328 W N 1.712 122.930 121.300 -0.138 0.000 2.358 328 W HA -0.111 4.549 4.660 -0.000 0.000 0.303 328 W C 2.021 178.394 176.519 -0.243 0.000 1.208 328 W CA 1.088 58.343 57.345 -0.149 0.000 1.274 328 W CB -0.498 28.892 29.460 -0.116 0.000 1.138 328 W HN -0.101 nan 8.180 nan 0.000 0.515 329 L N -0.240 120.709 121.223 -0.456 0.000 2.012 329 L HA -0.336 4.004 4.340 -0.000 0.000 0.210 329 L C 2.588 179.170 176.870 -0.480 0.000 1.073 329 L CA 1.886 56.260 54.840 -0.776 0.000 0.748 329 L CB -1.208 40.272 42.059 -0.965 0.000 0.891 329 L HN 0.091 nan 8.230 nan 0.000 0.431 330 C N 0.297 119.528 119.300 -0.116 0.000 2.413 330 C HA -0.188 4.272 4.460 -0.000 0.000 0.277 330 C C 2.690 177.671 174.990 -0.016 0.000 1.228 330 C CA 1.258 60.374 59.018 0.162 0.000 1.731 330 C CB -1.074 26.809 27.740 0.238 0.000 2.042 330 C HN 0.651 nan 8.230 nan 0.000 0.468 331 E N 0.363 120.493 120.200 -0.117 0.000 2.204 331 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 331 E C 1.568 178.020 176.600 -0.247 0.000 0.990 331 E CA 1.807 58.134 56.400 -0.120 0.000 0.821 331 E CB -0.538 29.110 29.700 -0.086 0.000 0.750 331 E HN 0.564 nan 8.360 nan 0.000 0.477 332 T N 0.922 115.168 114.554 -0.514 0.000 2.809 332 T HA 0.058 4.408 4.350 -0.000 0.000 0.260 332 T C 2.039 176.452 174.700 -0.478 0.000 1.039 332 T CA 1.144 62.879 62.100 -0.609 0.000 1.141 332 T CB -0.180 67.953 68.868 -1.225 0.000 0.869 332 T HN 0.389 nan 8.240 nan 0.000 0.437 333 A N 1.482 123.953 122.820 -0.581 0.000 1.972 333 A HA 0.188 4.508 4.320 -0.000 0.000 0.219 333 A C 2.573 179.832 177.584 -0.542 0.000 1.169 333 A CA 1.670 53.299 52.037 -0.680 0.000 0.635 333 A CB -0.940 17.341 19.000 -1.198 0.000 0.810 333 A HN 0.490 nan 8.150 nan 0.000 0.446 334 A N -0.305 122.345 122.820 -0.283 0.000 1.972 334 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 334 A C 2.086 179.685 177.584 0.025 0.000 1.169 334 A CA 1.780 53.870 52.037 0.088 0.000 0.635 334 A CB -0.263 18.844 19.000 0.178 0.000 0.810 334 A HN 0.574 nan 8.150 nan 0.000 0.446 335 K N -1.297 119.078 120.400 -0.041 0.000 2.276 335 K HA 0.050 4.370 4.320 -0.000 0.000 0.198 335 K C -0.241 176.368 176.600 0.015 0.000 1.052 335 K CA 0.471 56.759 56.287 0.002 0.000 0.984 335 K CB 0.320 32.826 32.500 0.010 0.000 0.836 335 K HN 0.258 nan 8.250 nan 0.000 0.490 336 D N 0.603 120.990 120.400 -0.022 0.000 2.414 336 D HA 0.066 4.706 4.640 -0.000 0.000 0.232 336 D C -0.160 176.160 176.300 0.032 0.000 1.070 336 D CA -0.231 53.794 54.000 0.042 0.000 0.839 336 D CB 1.251 42.121 40.800 0.117 0.000 1.079 336 D HN -0.127 nan 8.370 nan 0.000 0.521 337 N N 2.871 121.615 118.700 0.074 0.000 2.520 337 N HA -0.073 4.667 4.740 -0.000 0.000 0.185 337 N C 0.982 176.612 175.510 0.199 0.000 1.068 337 N CA 0.966 54.083 53.050 0.111 0.000 0.911 337 N CB 0.230 38.788 38.487 0.118 0.000 0.961 337 N HN 0.295 nan 8.380 nan 0.000 0.446 338 K N -0.431 120.087 120.400 0.196 0.000 2.426 338 K HA 0.068 4.388 4.320 -0.000 0.000 0.193 338 K C 0.647 177.446 176.600 0.333 0.000 1.028 338 K CA -0.144 56.318 56.287 0.291 0.000 1.047 338 K CB 0.397 32.942 32.500 0.074 0.000 0.821 338 K HN 0.247 nan 8.250 nan 0.000 0.513 342 I N 0.900 121.620 120.570 0.251 0.000 2.647 342 I HA 0.754 4.924 4.170 -0.000 0.000 0.295 342 I C -0.030 176.189 176.117 0.170 0.000 1.078 342 I CA -0.606 60.821 61.300 0.211 0.000 1.048 342 I CB 2.633 40.765 38.000 0.220 0.000 1.239 342 I HN 0.675 nan 8.210 nan 0.000 0.421 343 T N 5.060 119.676 114.554 0.103 0.000 2.912 343 T HA 0.558 4.908 4.350 -0.000 0.000 0.299 343 T C -2.844 171.900 174.700 0.075 0.000 1.052 343 T CA -1.892 60.287 62.100 0.133 0.000 0.996 343 T CB 2.177 71.171 68.868 0.210 0.000 1.070 343 T HN 0.203 nan 8.240 nan 0.000 0.465 344 P HA 0.558 nan 4.420 nan 0.000 0.226 344 P C -0.255 177.010 177.300 -0.059 0.000 1.832 344 P CA 0.147 63.245 63.100 -0.004 0.000 1.092 344 P CB -0.029 31.655 31.700 -0.027 0.000 1.873 348 E N 0.117 120.429 120.200 0.187 0.000 2.072 348 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 348 E C 1.549 178.290 176.600 0.236 0.000 0.985 348 E CA 1.605 58.110 56.400 0.174 0.000 0.801 348 E CB -0.227 29.544 29.700 0.117 0.000 0.750 348 E HN 0.486 nan 8.360 nan 0.000 0.452 349 G N -0.103 108.866 108.800 0.282 0.000 2.440 349 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 349 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 349 G C 1.575 176.753 174.900 0.462 0.000 1.154 349 G CA 0.919 46.267 45.100 0.412 0.000 0.767 349 G HN 0.220 nan 8.290 nan 0.000 0.552 350 S N 0.353 116.335 115.700 0.469 0.000 2.650 350 S HA 0.409 4.878 4.470 -0.000 0.000 0.219 350 S C 1.292 176.183 174.600 0.484 0.000 0.960 350 S CA 0.516 59.011 58.200 0.492 0.000 0.925 350 S CB -0.389 63.105 63.200 0.490 0.000 0.775 350 S HN 1.156 nan 8.310 nan 0.000 0.525 354 E N 0.291 120.512 120.200 0.034 0.000 2.085 354 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 354 E C 1.970 178.587 176.600 0.027 0.000 0.994 354 E CA 2.272 58.681 56.400 0.015 0.000 0.801 354 E CB -0.088 29.639 29.700 0.044 0.000 0.743 354 E HN 0.548 nan 8.360 nan 0.000 0.453 355 F N 1.417 121.354 119.950 -0.022 0.000 2.134 355 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 355 F C 2.535 178.324 175.800 -0.018 0.000 1.097 355 F CA 1.919 59.951 58.000 0.055 0.000 1.264 355 F CB -0.592 38.447 39.000 0.064 0.000 1.001 355 F HN 0.090 nan 8.300 nan 0.000 0.479 356 S N -0.156 115.376 115.700 -0.280 0.000 2.442 356 S HA -0.166 4.304 4.470 -0.000 0.000 0.236 356 S C 2.040 176.364 174.600 -0.461 0.000 1.007 356 S CA 1.019 58.819 58.200 -0.667 0.000 0.965 356 S CB -0.523 61.969 63.200 -1.180 0.000 0.773 356 S HN 0.477 nan 8.310 nan 0.000 0.504 357 R N 0.973 121.273 120.500 -0.334 0.000 2.112 357 R HA 0.276 4.616 4.340 -0.000 0.000 0.216 357 R C 2.421 178.516 176.300 -0.342 0.000 1.080 357 R CA 1.023 56.958 56.100 -0.275 0.000 0.996 357 R CB -0.044 30.140 30.300 -0.193 0.000 0.902 357 R HN 0.399 nan 8.270 nan 0.000 0.449 358 K N -0.796 119.334 120.400 -0.450 0.000 2.186 358 K HA 0.037 4.357 4.320 -0.000 0.000 0.202 358 K C -0.157 175.809 176.600 -1.057 0.000 1.052 358 K CA 0.800 56.645 56.287 -0.737 0.000 0.965 358 K CB 0.373 32.359 32.500 -0.857 0.000 0.746 358 K HN 0.052 nan 8.250 nan 0.000 0.457 359 F N 1.025 120.672 119.950 -0.505 0.000 2.597 359 F HA 0.232 4.759 4.527 -0.000 0.000 0.336 359 F C -1.893 173.610 175.800 -0.495 0.000 1.432 359 F CA -2.254 55.428 58.000 -0.529 0.000 1.120 359 F CB 1.095 39.650 39.000 -0.741 0.000 1.253 359 F HN -0.100 nan 8.300 nan 0.000 0.546 360 P HA -0.180 nan 4.420 nan 0.000 0.221 360 P C 0.698 177.914 177.300 -0.141 0.000 1.145 360 P CA 1.474 64.469 63.100 -0.175 0.000 0.795 360 P CB 0.194 31.800 31.700 -0.157 0.000 0.775 361 D N -1.126 119.211 120.400 -0.105 0.000 2.340 361 D HA -0.036 4.604 4.640 -0.000 0.000 0.220 361 D C 1.327 177.590 176.300 -0.062 0.000 1.039 361 D CA 0.181 54.132 54.000 -0.082 0.000 0.866 361 D CB -0.230 40.562 40.800 -0.014 0.000 0.913 361 D HN 0.168 nan 8.370 nan 0.000 0.523 362 R N -0.704 119.768 120.500 -0.047 0.000 2.549 362 R HA 0.109 4.449 4.340 -0.000 0.000 0.344 362 R C -0.763 175.693 176.300 0.260 0.000 0.979 362 R CA -0.442 55.737 56.100 0.131 0.000 1.140 362 R CB 0.485 30.894 30.300 0.182 0.000 1.377 362 R HN 0.215 nan 8.270 nan 0.000 0.541 363 Y N 0.337 120.509 120.300 -0.213 0.000 2.393 363 Y HA 0.529 5.079 4.550 -0.000 0.000 0.341 363 Y C -1.382 174.252 175.900 -0.443 0.000 0.988 363 Y CA -1.256 56.844 58.100 0.001 0.000 1.078 363 Y CB 1.029 39.525 38.460 0.060 0.000 1.203 363 Y HN -0.185 nan 8.280 nan 0.000 0.453 364 F N 4.586 124.257 119.950 -0.466 0.000 2.539 364 F HA 0.290 4.817 4.527 -0.000 0.000 0.318 364 F C -0.733 174.713 175.800 -0.591 0.000 1.135 364 F CA -1.053 56.725 58.000 -0.370 0.000 0.915 364 F CB 1.594 40.639 39.000 0.074 0.000 1.176 364 F HN 0.431 nan 8.300 nan 0.000 0.440 365 D N 2.974 123.209 120.400 -0.276 0.000 2.441 365 D HA 0.249 4.889 4.640 -0.000 0.000 0.231 365 D C 0.226 176.522 176.300 -0.007 0.000 1.073 365 D CA -0.091 53.842 54.000 -0.113 0.000 0.850 365 D CB 1.889 42.718 40.800 0.048 0.000 1.062 365 D HN 0.342 nan 8.370 nan 0.000 0.524 366 V N 3.061 122.983 119.914 0.012 0.000 3.630 366 V HA 0.243 4.363 4.120 -0.000 0.000 0.273 366 V C 1.095 177.204 176.094 0.025 0.000 1.248 366 V CA 0.897 63.216 62.300 0.032 0.000 1.170 366 V CB -1.682 30.198 31.823 0.095 0.000 0.899 366 V HN 0.903 nan 8.190 nan 0.000 0.457 367 A N 0.267 123.096 122.820 0.015 0.000 6.356 367 A HA -0.209 4.111 4.320 -0.000 0.000 0.233 367 A C 0.150 177.724 177.584 -0.017 0.000 2.292 367 A CA 0.500 52.540 52.037 0.005 0.000 0.696 367 A CB -1.266 17.741 19.000 0.013 0.000 0.916 367 A HN 0.310 nan 8.150 nan 0.000 0.356 368 I N 0.543 121.090 120.570 -0.038 0.000 2.382 368 I HA 0.359 4.529 4.170 -0.000 0.000 0.297 368 I C 0.881 176.969 176.117 -0.047 0.000 1.172 368 I CA 1.231 62.476 61.300 -0.092 0.000 1.825 368 I CB -0.774 37.152 38.000 -0.124 0.000 1.509 368 I HN 1.105 nan 8.210 nan 0.000 0.842 369 A N 3.243 126.055 122.820 -0.013 0.000 3.082 369 A HA 0.430 4.750 4.320 -0.000 0.000 0.328 369 A C 0.709 178.327 177.584 0.057 0.000 1.089 369 A CA -0.517 51.542 52.037 0.038 0.000 0.802 369 A CB 0.273 19.318 19.000 0.074 0.000 1.138 369 A HN 0.428 nan 8.150 nan 0.000 0.474 370 E N 0.313 120.529 120.200 0.027 0.000 2.160 370 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 370 E C 1.868 178.526 176.600 0.096 0.000 0.991 370 E CA 1.874 58.312 56.400 0.063 0.000 0.810 370 E CB -0.056 29.679 29.700 0.058 0.000 0.742 370 E HN 0.818 nan 8.360 nan 0.000 0.466 371 Q N -0.398 119.456 119.800 0.090 0.000 1.993 371 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 371 Q C 2.268 178.339 176.000 0.117 0.000 0.984 371 Q CA 1.496 57.357 55.803 0.097 0.000 0.837 371 Q CB -0.405 28.381 28.738 0.079 0.000 0.902 371 Q HN 0.524 nan 8.270 nan 0.000 0.423 372 H N 0.294 119.386 119.070 0.037 0.000 2.491 372 H HA -0.000 4.556 4.556 -0.000 0.000 0.290 372 H C 1.748 177.130 175.328 0.091 0.000 1.050 372 H CA 1.096 57.166 56.048 0.036 0.000 1.309 372 H CB 0.263 30.010 29.762 -0.025 0.000 1.392 372 H HN 0.253 nan 8.280 nan 0.000 0.554 373 A N 0.598 123.414 122.820 -0.006 0.000 1.902 373 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 373 A C 2.783 180.391 177.584 0.040 0.000 1.181 373 A CA 1.597 53.642 52.037 0.014 0.000 0.623 373 A CB -0.816 18.239 19.000 0.092 0.000 0.818 373 A HN 0.302 nan 8.150 nan 0.000 0.443 374 V N -0.558 119.407 119.914 0.084 0.000 2.379 374 V HA -0.164 3.956 4.120 -0.000 0.000 0.245 374 V C 2.637 178.762 176.094 0.053 0.000 1.044 374 V CA 2.321 64.697 62.300 0.128 0.000 1.036 374 V CB -1.111 30.868 31.823 0.259 0.000 0.664 374 V HN 0.579 nan 8.190 nan 0.000 0.453 375 T N -0.050 114.524 114.554 0.034 0.000 2.995 375 T HA -0.099 4.251 4.350 -0.000 0.000 0.269 375 T C 1.585 176.272 174.700 -0.022 0.000 1.091 375 T CA 1.298 63.412 62.100 0.023 0.000 1.128 375 T CB -0.342 68.558 68.868 0.054 0.000 0.891 375 T HN 0.531 nan 8.240 nan 0.000 0.492 376 F N 2.017 121.779 119.950 -0.313 0.000 2.146 376 F HA 0.034 4.561 4.527 -0.000 0.000 0.298 376 F C 2.465 178.115 175.800 -0.250 0.000 1.096 376 F CA 0.869 58.639 58.000 -0.383 0.000 1.275 376 F CB -0.238 38.373 39.000 -0.650 0.000 1.008 376 F HN 0.153 nan 8.300 nan 0.000 0.480 377 A N 0.858 123.494 122.820 -0.307 0.000 1.908 377 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 377 A C 2.373 179.796 177.584 -0.269 0.000 1.181 377 A CA 1.787 53.603 52.037 -0.369 0.000 0.627 377 A CB -1.569 17.285 19.000 -0.243 0.000 0.818 377 A HN 0.548 nan 8.150 nan 0.000 0.445 378 A N -0.495 122.237 122.820 -0.147 0.000 1.908 378 A HA 0.047 4.367 4.320 -0.000 0.000 0.218 378 A C 2.421 179.941 177.584 -0.108 0.000 1.181 378 A CA 2.110 54.096 52.037 -0.084 0.000 0.627 378 A CB -1.427 17.563 19.000 -0.016 0.000 0.818 378 A HN 0.774 nan 8.150 nan 0.000 0.445 379 G N -0.288 108.428 108.800 -0.141 0.000 2.418 379 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.217 379 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.217 379 G C 1.546 176.344 174.900 -0.169 0.000 1.158 379 G CA 1.011 46.037 45.100 -0.123 0.000 0.771 379 G HN 0.445 nan 8.290 nan 0.000 0.545 380 L N 0.634 121.665 121.223 -0.322 0.000 2.083 380 L HA -0.046 4.294 4.340 -0.000 0.000 0.209 380 L C 3.377 180.204 176.870 -0.073 0.000 1.083 380 L CA 0.969 55.657 54.840 -0.252 0.000 0.752 380 L CB -0.352 41.442 42.059 -0.441 0.000 0.899 380 L HN 0.312 nan 8.230 nan 0.000 0.433 381 A N 0.226 122.982 122.820 -0.106 0.000 1.898 381 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 381 A C 2.190 179.741 177.584 -0.055 0.000 1.181 381 A CA 1.253 53.248 52.037 -0.070 0.000 0.620 381 A CB -0.588 18.364 19.000 -0.080 0.000 0.819 381 A HN 0.352 nan 8.150 nan 0.000 0.442 382 I N -0.198 120.341 120.570 -0.052 0.000 2.454 382 I HA -0.171 3.999 4.170 -0.000 0.000 0.254 382 I C 2.280 178.383 176.117 -0.023 0.000 1.156 382 I CA 1.029 62.306 61.300 -0.038 0.000 1.433 382 I CB -0.278 37.704 38.000 -0.031 0.000 1.082 382 I HN 0.408 nan 8.210 nan 0.000 0.432 383 G N -0.392 108.410 108.800 0.002 0.000 3.088 383 G HA2 0.259 4.219 3.960 -0.000 0.000 0.212 383 G HA3 0.259 4.219 3.960 -0.000 0.000 0.212 383 G C 1.296 176.207 174.900 0.018 0.000 1.173 383 G CA 0.514 45.647 45.100 0.055 0.000 0.779 383 G HN 0.529 nan 8.290 nan 0.000 0.540 384 G N -1.522 107.235 108.800 -0.071 0.000 2.194 384 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.236 384 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.236 384 G C 0.222 174.894 174.900 -0.380 0.000 0.987 384 G CA 0.177 45.140 45.100 -0.228 0.000 0.635 384 G HN 0.410 nan 8.290 nan 0.000 0.520 385 Y N 0.228 120.485 120.300 -0.072 0.000 2.408 385 Y HA 0.629 5.178 4.550 -0.000 0.000 0.324 385 Y C 1.071 176.916 175.900 -0.091 0.000 1.302 385 Y CA -0.403 57.659 58.100 -0.063 0.000 1.384 385 Y CB 0.842 39.270 38.460 -0.053 0.000 1.367 385 Y HN -0.067 nan 8.280 nan 0.000 0.525 386 K N 3.370 123.828 120.400 0.097 0.000 2.423 386 K HA 0.279 4.599 4.320 -0.000 0.000 0.234 386 K C -2.760 173.890 176.600 0.083 0.000 1.051 386 K CA -1.873 54.407 56.287 -0.013 0.000 1.021 386 K CB 0.502 32.888 32.500 -0.190 0.000 1.474 386 K HN 0.284 nan 8.250 nan 0.000 0.474 387 P HA 0.205 nan 4.420 nan 0.000 0.279 387 P C -0.552 176.746 177.300 -0.003 0.000 1.239 387 P CA -0.158 62.924 63.100 -0.030 0.000 0.789 387 P CB 1.131 32.728 31.700 -0.171 0.000 0.933 388 I N 2.516 123.119 120.570 0.055 0.000 2.447 388 I HA 0.239 4.409 4.170 -0.000 0.000 0.287 388 I C -0.199 175.953 176.117 0.058 0.000 1.023 388 I CA -1.155 60.203 61.300 0.097 0.000 1.083 388 I CB 2.330 40.498 38.000 0.279 0.000 1.245 388 I HN -0.013 nan 8.210 nan 0.000 0.434 389 V N 5.852 125.721 119.914 -0.075 0.000 2.333 389 V HA 0.473 4.593 4.120 -0.000 0.000 0.274 389 V C 0.563 176.723 176.094 0.111 0.000 1.028 389 V CA -0.495 61.801 62.300 -0.007 0.000 0.851 389 V CB 1.251 32.994 31.823 -0.134 0.000 1.000 389 V HN 0.814 nan 8.190 nan 0.000 0.456 390 A N 6.965 129.893 122.820 0.180 0.000 2.276 390 A HA 0.825 5.145 4.320 -0.000 0.000 0.300 390 A C -0.526 177.179 177.584 0.201 0.000 1.235 390 A CA -0.218 51.918 52.037 0.165 0.000 0.867 390 A CB 0.208 19.396 19.000 0.313 0.000 1.137 390 A HN 0.888 nan 8.150 nan 0.000 0.527 391 I N 1.865 122.556 120.570 0.202 0.000 2.787 391 I HA 0.323 4.493 4.170 -0.000 0.000 0.294 391 I C -1.259 175.065 176.117 0.344 0.000 1.365 391 I CA -0.748 60.722 61.300 0.283 0.000 1.029 391 I CB 1.460 39.620 38.000 0.266 0.000 1.313 391 I HN 0.756 nan 8.210 nan 0.000 0.431 392 Y N 4.364 124.749 120.300 0.142 0.000 2.457 392 Y HA -0.012 4.538 4.550 -0.000 0.000 0.341 392 Y C 1.712 177.566 175.900 -0.077 0.000 1.240 392 Y CA 0.184 58.263 58.100 -0.035 0.000 1.437 392 Y CB 1.331 39.675 38.460 -0.193 0.000 1.328 392 Y HN 0.715 nan 8.280 nan 0.000 0.588 393 S N 0.732 116.427 115.700 -0.008 0.000 2.359 393 S HA -0.244 4.225 4.470 -0.000 0.000 0.224 393 S C 2.122 176.777 174.600 0.091 0.000 1.035 393 S CA 2.237 60.442 58.200 0.009 0.000 1.018 393 S CB -0.512 62.628 63.200 -0.101 0.000 0.876 393 S HN 0.912 nan 8.310 nan 0.000 0.448 394 T N -0.131 114.394 114.554 -0.048 0.000 2.867 394 T HA -0.008 4.342 4.350 -0.000 0.000 0.268 394 T C 1.249 175.953 174.700 0.007 0.000 1.057 394 T CA 1.389 63.491 62.100 0.003 0.000 1.136 394 T CB -0.473 68.337 68.868 -0.096 0.000 0.874 394 T HN 0.469 nan 8.240 nan 0.000 0.466 395 F N 0.589 120.547 119.950 0.013 0.000 2.512 395 F HA 0.294 4.821 4.527 -0.000 0.000 0.296 395 F C 1.798 177.590 175.800 -0.014 0.000 1.110 395 F CA -0.331 57.581 58.000 -0.147 0.000 1.446 395 F CB -0.973 37.915 39.000 -0.187 0.000 1.092 395 F HN 0.175 nan 8.300 nan 0.000 0.554 396 L N 0.477 121.837 121.223 0.227 0.000 2.265 396 L HA -0.161 4.179 4.340 -0.000 0.000 0.215 396 L C 2.054 178.958 176.870 0.057 0.000 1.117 396 L CA 1.581 56.533 54.840 0.186 0.000 0.782 396 L CB -0.937 41.268 42.059 0.243 0.000 0.914 396 L HN 0.184 nan 8.230 nan 0.000 0.441 397 Q N -0.796 119.011 119.800 0.013 0.000 2.181 397 Q HA -0.244 4.096 4.340 -0.000 0.000 0.205 397 Q C 2.154 178.122 176.000 -0.053 0.000 0.980 397 Q CA 1.680 57.375 55.803 -0.179 0.000 0.862 397 Q CB -0.257 28.484 28.738 0.005 0.000 0.905 397 Q HN 0.488 nan 8.270 nan 0.000 0.429 398 R N -0.196 120.337 120.500 0.054 0.000 2.276 398 R HA 0.063 4.403 4.340 -0.000 0.000 0.203 398 R C 0.826 177.165 176.300 0.066 0.000 1.017 398 R CA 0.735 56.874 56.100 0.065 0.000 1.010 398 R CB 0.248 30.590 30.300 0.071 0.000 0.900 398 R HN 0.143 nan 8.270 nan 0.000 0.469 399 A N -0.711 122.156 122.820 0.077 0.000 2.564 399 A HA 0.085 4.404 4.320 -0.000 0.000 0.279 399 A C 0.887 178.531 177.584 0.100 0.000 1.232 399 A CA -0.617 51.476 52.037 0.094 0.000 0.950 399 A CB -0.362 18.712 19.000 0.124 0.000 1.138 399 A HN 0.513 nan 8.150 nan 0.000 0.526 400 Y N 0.514 120.758 120.300 -0.093 0.000 2.139 400 Y HA -0.354 4.196 4.550 -0.000 0.000 0.282 400 Y C 2.089 177.962 175.900 -0.045 0.000 1.179 400 Y CA 2.155 60.178 58.100 -0.127 0.000 1.161 400 Y CB 0.141 38.474 38.460 -0.213 0.000 0.970 400 Y HN 0.505 nan 8.280 nan 0.000 0.511 401 D N -0.728 119.649 120.400 -0.039 0.000 2.144 401 D HA -0.180 4.460 4.640 -0.000 0.000 0.200 401 D C 1.912 178.187 176.300 -0.041 0.000 0.978 401 D CA 1.398 55.338 54.000 -0.101 0.000 0.833 401 D CB -0.001 40.769 40.800 -0.049 0.000 0.961 401 D HN 0.352 nan 8.370 nan 0.000 0.470 402 Q N -0.314 119.495 119.800 0.014 0.000 2.084 402 Q HA -0.051 4.289 4.340 -0.000 0.000 0.202 402 Q C 2.339 178.387 176.000 0.080 0.000 0.978 402 Q CA 0.785 56.630 55.803 0.070 0.000 0.844 402 Q CB -0.437 28.357 28.738 0.094 0.000 0.898 402 Q HN 0.209 nan 8.270 nan 0.000 0.426 403 V N 0.546 120.483 119.914 0.037 0.000 2.261 403 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 403 V C 2.108 178.178 176.094 -0.040 0.000 1.047 403 V CA 1.824 64.130 62.300 0.010 0.000 1.015 403 V CB -0.648 31.090 31.823 -0.142 0.000 0.642 403 V HN 0.346 nan 8.190 nan 0.000 0.446 404 L N -0.934 120.190 121.223 -0.164 0.000 2.005 404 L HA -0.193 4.146 4.340 -0.000 0.000 0.207 404 L C 2.703 179.545 176.870 -0.046 0.000 1.072 404 L CA 2.069 56.807 54.840 -0.169 0.000 0.744 404 L CB -0.532 41.303 42.059 -0.373 0.000 0.895 404 L HN 0.485 nan 8.230 nan 0.000 0.433 405 H N -0.703 118.304 119.070 -0.105 0.000 2.355 405 H HA -0.102 4.454 4.556 -0.000 0.000 0.303 405 H C 1.476 176.790 175.328 -0.023 0.000 1.061 405 H CA 1.655 57.669 56.048 -0.057 0.000 1.368 405 H CB 0.220 29.949 29.762 -0.054 0.000 1.412 405 H HN 0.384 nan 8.280 nan 0.000 0.523 406 D N -0.048 120.465 120.400 0.190 0.000 2.234 406 D HA -0.036 4.604 4.640 -0.000 0.000 0.205 406 D C 2.176 178.506 176.300 0.050 0.000 0.962 406 D CA 0.542 54.619 54.000 0.128 0.000 0.855 406 D CB 0.478 41.373 40.800 0.158 0.000 0.951 406 D HN 0.239 nan 8.370 nan 0.000 0.500 407 V N 0.627 120.583 119.914 0.069 0.000 2.721 407 V HA 0.136 4.256 4.120 -0.000 0.000 0.236 407 V C 2.326 178.455 176.094 0.060 0.000 1.116 407 V CA 0.982 63.336 62.300 0.089 0.000 1.148 407 V CB -0.472 31.479 31.823 0.214 0.000 0.886 407 V HN 0.093 nan 8.190 nan 0.000 0.490 408 A N 0.442 123.291 122.820 0.048 0.000 1.865 408 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 408 A C 2.149 179.728 177.584 -0.008 0.000 1.191 408 A CA 2.074 54.129 52.037 0.029 0.000 0.623 408 A CB -0.657 18.346 19.000 0.006 0.000 0.826 408 A HN 0.467 nan 8.150 nan 0.000 0.444 409 I N -0.367 120.171 120.570 -0.053 0.000 2.151 409 I HA -0.327 3.843 4.170 -0.000 0.000 0.243 409 I C 2.414 178.487 176.117 -0.073 0.000 1.080 409 I CA 1.698 62.946 61.300 -0.087 0.000 1.339 409 I CB -0.451 37.437 38.000 -0.185 0.000 1.039 409 I HN 0.466 nan 8.210 nan 0.000 0.409 410 Q N 0.728 120.485 119.800 -0.072 0.000 2.482 410 Q HA -0.031 4.309 4.340 -0.000 0.000 0.209 410 Q C 0.166 176.149 176.000 -0.027 0.000 0.961 410 Q CA 0.119 55.890 55.803 -0.053 0.000 0.945 410 Q CB 0.118 28.825 28.738 -0.052 0.000 1.012 410 Q HN 0.351 nan 8.270 nan 0.000 0.515 411 K N 0.528 120.924 120.400 -0.008 0.000 3.016 411 K HA -0.182 4.138 4.320 -0.000 0.000 0.262 411 K C -0.686 175.920 176.600 0.011 0.000 1.043 411 K CA 0.266 56.560 56.287 0.011 0.000 0.761 411 K CB -1.714 30.783 32.500 -0.005 0.000 1.230 411 K HN 0.322 nan 8.250 nan 0.000 0.485 412 L N 2.009 123.242 121.223 0.016 0.000 2.410 412 L HA 0.098 4.438 4.340 -0.000 0.000 0.273 412 L C -1.153 175.735 176.870 0.031 0.000 1.144 412 L CA -1.515 53.327 54.840 0.004 0.000 0.863 412 L CB 0.116 42.172 42.059 -0.004 0.000 1.140 412 L HN -0.083 nan 8.230 nan 0.000 0.463 413 P HA 0.041 nan 4.420 nan 0.000 0.231 413 P C -0.267 177.035 177.300 0.003 0.000 1.756 413 P CA 0.029 63.144 63.100 0.024 0.000 0.990 413 P CB -0.036 31.637 31.700 -0.045 0.000 1.973 414 V N 2.809 122.727 119.914 0.007 0.000 2.546 414 V HA 0.160 4.280 4.120 -0.000 0.000 0.284 414 V C 0.871 176.892 176.094 -0.122 0.000 1.050 414 V CA -0.653 61.569 62.300 -0.130 0.000 0.981 414 V CB 1.878 33.538 31.823 -0.272 0.000 0.990 414 V HN 0.313 nan 8.190 nan 0.000 0.474 415 L N 5.081 126.217 121.223 -0.145 0.000 2.289 415 L HA 0.554 4.893 4.340 -0.000 0.000 0.285 415 L C -1.273 175.489 176.870 -0.181 0.000 1.049 415 L CA -0.319 54.517 54.840 -0.008 0.000 0.804 415 L CB 1.128 43.281 42.059 0.156 0.000 1.195 415 L HN 0.516 nan 8.230 nan 0.000 0.428 416 F N 3.573 123.571 119.950 0.080 0.000 2.402 416 F HA 0.438 4.965 4.527 -0.000 0.000 0.355 416 F C 0.609 176.402 175.800 -0.011 0.000 1.123 416 F CA -0.531 57.498 58.000 0.049 0.000 1.021 416 F CB 1.681 40.707 39.000 0.043 0.000 1.160 416 F HN 0.489 nan 8.300 nan 0.000 0.451 417 A N 5.955 128.814 122.820 0.065 0.000 2.366 417 A HA 0.607 4.927 4.320 -0.000 0.000 0.322 417 A C -0.262 177.186 177.584 -0.227 0.000 1.397 417 A CA -0.441 51.500 52.037 -0.160 0.000 0.984 417 A CB -0.476 18.135 19.000 -0.649 0.000 1.149 417 A HN 0.761 nan 8.150 nan 0.000 0.540 418 I N 2.974 123.350 120.570 -0.324 0.000 2.282 418 I HA 0.141 4.311 4.170 -0.000 0.000 0.290 418 I C -0.120 175.479 176.117 -0.863 0.000 1.090 418 I CA -0.386 60.679 61.300 -0.392 0.000 1.231 418 I CB 0.583 38.439 38.000 -0.241 0.000 1.434 418 I HN 0.537 nan 8.210 nan 0.000 0.487 419 D N 4.927 124.906 120.400 -0.703 0.000 2.348 419 D HA 0.252 4.891 4.640 -0.000 0.000 0.249 419 D C 0.582 176.504 176.300 -0.631 0.000 1.110 419 D CA -0.189 53.343 54.000 -0.781 0.000 0.967 419 D CB 0.838 41.411 40.800 -0.380 0.000 1.139 419 D HN 0.216 nan 8.370 nan 0.000 0.466 420 R N -0.641 119.525 120.500 -0.557 0.000 3.525 420 R HA -0.148 4.192 4.340 -0.000 0.000 0.276 420 R C -0.714 175.399 176.300 -0.311 0.000 1.116 420 R CA 0.707 56.541 56.100 -0.444 0.000 0.745 420 R CB -2.348 27.564 30.300 -0.646 0.000 1.185 420 R HN 0.397 nan 8.270 nan 0.000 0.454 421 A N -0.037 122.592 122.820 -0.318 0.000 2.388 421 A HA 0.653 4.973 4.320 -0.000 0.000 0.257 421 A C 1.415 178.872 177.584 -0.211 0.000 1.095 421 A CA 0.712 52.588 52.037 -0.268 0.000 0.791 421 A CB 0.405 19.226 19.000 -0.299 0.000 1.029 421 A HN 1.251 nan 8.150 nan 0.000 0.489 422 G N 0.403 109.081 108.800 -0.203 0.000 2.584 422 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.229 422 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.229 422 G C -0.159 174.654 174.900 -0.145 0.000 1.320 422 G CA -0.206 44.788 45.100 -0.176 0.000 0.891 422 G HN 1.138 nan 8.290 nan 0.000 0.573 423 I N 1.401 121.905 120.570 -0.111 0.000 2.533 423 I HA 0.260 4.430 4.170 -0.000 0.000 0.284 423 I C 1.876 177.964 176.117 -0.048 0.000 1.109 423 I CA 0.420 61.676 61.300 -0.072 0.000 1.412 423 I CB 1.346 39.312 38.000 -0.057 0.000 1.396 423 I HN 0.802 nan 8.210 nan 0.000 0.543 424 V N 3.080 122.982 119.914 -0.021 0.000 3.471 424 V HA 0.545 4.665 4.120 -0.000 0.000 0.258 424 V C 0.951 177.052 176.094 0.012 0.000 1.192 424 V CA 0.786 63.086 62.300 -0.001 0.000 1.116 424 V CB -0.560 31.286 31.823 0.038 0.000 0.792 424 V HN 1.112 nan 8.190 nan 0.000 0.459 425 G N 0.520 109.323 108.800 0.003 0.000 2.594 425 G HA2 0.003 3.963 3.960 -0.000 0.000 0.217 425 G HA3 0.003 3.963 3.960 -0.000 0.000 0.217 425 G C 1.008 175.891 174.900 -0.029 0.000 1.163 425 G CA 0.253 45.347 45.100 -0.011 0.000 1.074 425 G HN 1.337 nan 8.290 nan 0.000 0.589 426 A N -0.454 122.338 122.820 -0.046 0.000 2.032 426 A HA 0.020 4.340 4.320 -0.000 0.000 0.221 426 A C 1.845 179.356 177.584 -0.122 0.000 1.165 426 A CA 2.699 54.682 52.037 -0.091 0.000 0.645 426 A CB -0.577 18.370 19.000 -0.088 0.000 0.807 426 A HN 0.610 nan 8.150 nan 0.000 0.453 427 D N -0.675 119.685 120.400 -0.067 0.000 2.350 427 D HA 0.228 4.868 4.640 -0.000 0.000 0.216 427 D C 1.462 177.769 176.300 0.012 0.000 0.968 427 D CA 1.163 55.119 54.000 -0.074 0.000 0.894 427 D CB -0.379 40.375 40.800 -0.076 0.000 0.909 427 D HN 0.637 nan 8.370 nan 0.000 0.520 428 G N 0.764 109.568 108.800 0.006 0.000 2.692 428 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.248 428 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.248 428 G C 0.797 175.804 174.900 0.178 0.000 1.340 428 G CA 0.436 45.558 45.100 0.036 0.000 0.896 428 G HN 0.185 nan 8.290 nan 0.000 0.570 429 Q N -1.002 118.912 119.800 0.189 0.000 2.105 429 Q HA -0.247 4.093 4.340 -0.000 0.000 0.217 429 Q C 3.037 179.216 176.000 0.299 0.000 1.029 429 Q CA 4.155 60.133 55.803 0.292 0.000 0.899 429 Q CB -1.000 27.947 28.738 0.349 0.000 1.000 429 Q HN 1.219 nan 8.270 nan 0.000 0.414 430 T N -0.929 113.848 114.554 0.373 0.000 2.760 430 T HA -0.247 4.103 4.350 -0.000 0.000 0.269 430 T C 1.071 176.049 174.700 0.464 0.000 1.047 430 T CA 1.752 64.087 62.100 0.391 0.000 1.139 430 T CB -0.206 69.027 68.868 0.607 0.000 0.855 430 T HN 0.546 nan 8.240 nan 0.000 0.471 431 H N -0.422 118.804 119.070 0.260 0.000 2.784 431 H HA 0.249 4.805 4.556 -0.000 0.000 0.273 431 H C 0.103 175.483 175.328 0.088 0.000 1.112 431 H CA -0.563 55.603 56.048 0.196 0.000 1.162 431 H CB 0.400 30.300 29.762 0.229 0.000 1.586 431 H HN 0.383 nan 8.280 nan 0.000 0.548 432 Q N 1.214 121.134 119.800 0.199 0.000 2.274 432 Q HA 0.061 4.401 4.340 -0.000 0.000 0.280 432 Q C 0.863 176.837 176.000 -0.043 0.000 1.047 432 Q CA -0.033 55.802 55.803 0.054 0.000 0.907 432 Q CB 0.949 29.705 28.738 0.031 0.000 1.171 432 Q HN 0.394 nan 8.270 nan 0.000 0.381 433 G N 1.511 110.242 108.800 -0.115 0.000 3.506 433 G HA2 0.332 4.292 3.960 -0.000 0.000 0.268 433 G HA3 0.332 4.292 3.960 -0.000 0.000 0.268 433 G C 0.627 175.359 174.900 -0.280 0.000 0.959 433 G CA 0.050 45.057 45.100 -0.154 0.000 1.823 433 G HN 0.623 nan 8.290 nan 0.000 0.615 434 A N 0.327 122.844 122.820 -0.506 0.000 2.308 434 A HA 0.524 4.844 4.320 -0.000 0.000 0.217 434 A C 0.887 177.894 177.584 -0.961 0.000 1.216 434 A CA 0.121 51.663 52.037 -0.826 0.000 0.864 434 A CB 0.091 18.446 19.000 -1.076 0.000 0.902 434 A HN 0.449 nan 8.150 nan 0.000 0.499 435 F N -0.415 119.497 119.950 -0.065 0.000 2.798 435 F HA 0.103 4.630 4.527 0.000 0.000 0.328 435 F C 1.623 177.102 175.800 -0.535 0.000 1.098 435 F CA -0.445 57.480 58.000 -0.124 0.000 1.172 435 F CB 0.115 39.182 39.000 0.111 0.000 1.072 435 F HN 0.329 nan 8.300 nan 0.000 0.555 436 D N 0.929 120.962 120.400 -0.611 0.000 2.182 436 D HA -0.176 4.464 4.640 -0.000 0.000 0.201 436 D C 1.699 177.566 176.300 -0.722 0.000 0.986 436 D CA 1.200 54.483 54.000 -1.194 0.000 0.847 436 D CB -0.172 40.277 40.800 -0.585 0.000 0.942 436 D HN 0.202 nan 8.370 nan 0.000 0.467 437 L N 0.649 121.622 121.223 -0.418 0.000 2.465 437 L HA 0.006 4.346 4.340 -0.000 0.000 0.224 437 L C 2.276 179.004 176.870 -0.237 0.000 1.145 437 L CA 0.895 55.561 54.840 -0.290 0.000 0.834 437 L CB -0.163 41.742 42.059 -0.256 0.000 0.944 437 L HN -0.004 nan 8.230 nan 0.000 0.451 438 S N -2.133 113.428 115.700 -0.232 0.000 2.591 438 S HA -0.021 4.449 4.470 -0.000 0.000 0.235 438 S C 1.773 176.346 174.600 -0.046 0.000 1.074 438 S CA 0.365 58.502 58.200 -0.105 0.000 0.925 438 S CB -0.148 63.045 63.200 -0.012 0.000 0.818 438 S HN 0.555 nan 8.310 nan 0.000 0.535 439 Y N 1.203 121.479 120.300 -0.040 0.000 2.439 439 Y HA 0.284 4.834 4.550 -0.000 0.000 0.292 439 Y C 1.694 177.660 175.900 0.110 0.000 1.130 439 Y CA 0.528 58.572 58.100 -0.092 0.000 1.254 439 Y CB -0.505 37.704 38.460 -0.419 0.000 1.000 439 Y HN 0.060 nan 8.280 nan 0.000 0.554 440 L N 0.082 121.343 121.223 0.063 0.000 2.307 440 L HA 0.060 4.400 4.340 -0.000 0.000 0.211 440 L C 2.790 179.694 176.870 0.055 0.000 1.099 440 L CA 0.561 55.472 54.840 0.119 0.000 0.816 440 L CB -0.394 41.626 42.059 -0.065 0.000 0.952 440 L HN 0.131 nan 8.230 nan 0.000 0.455 441 R N 0.333 120.829 120.500 -0.006 0.000 2.127 441 R HA -0.207 4.133 4.340 -0.000 0.000 0.238 441 R C 2.387 178.704 176.300 0.029 0.000 1.134 441 R CA 1.906 58.001 56.100 -0.008 0.000 0.975 441 R CB -0.328 29.942 30.300 -0.050 0.000 0.865 441 R HN 0.616 nan 8.270 nan 0.000 0.447 442 C N -0.786 118.554 119.300 0.067 0.000 2.562 442 C HA 0.335 4.795 4.460 -0.000 0.000 0.266 442 C C 1.117 176.149 174.990 0.070 0.000 1.382 442 C CA -0.977 58.083 59.018 0.070 0.000 1.742 442 C CB -0.938 26.857 27.740 0.093 0.000 1.812 442 C HN 0.144 nan 8.230 nan 0.000 0.559 443 I N 3.039 123.656 120.570 0.077 0.000 2.452 443 I HA 0.254 4.424 4.170 -0.000 0.000 0.287 443 I C -2.110 174.026 176.117 0.031 0.000 1.079 443 I CA -1.444 59.881 61.300 0.042 0.000 1.387 443 I CB 0.560 38.580 38.000 0.033 0.000 1.404 443 I HN -0.019 nan 8.210 nan 0.000 0.522 444 P HA 0.130 nan 4.420 nan 0.000 0.271 444 P C -0.642 176.680 177.300 0.036 0.000 1.216 444 P CA 0.187 63.302 63.100 0.025 0.000 0.776 444 P CB 0.519 32.227 31.700 0.014 0.000 0.881 451 P HA 0.166 nan 4.420 nan 0.000 0.265 451 P C 0.705 177.950 177.300 -0.090 0.000 1.193 451 P CA 0.031 63.065 63.100 -0.110 0.000 0.765 451 P CB 1.536 33.180 31.700 -0.093 0.000 0.823 452 S N 1.409 117.079 115.700 -0.050 0.000 2.439 452 S HA -0.012 4.458 4.470 -0.000 0.000 0.224 452 S C 0.472 175.099 174.600 0.046 0.000 1.029 452 S CA 0.961 59.148 58.200 -0.022 0.000 0.946 452 S CB -0.208 62.973 63.200 -0.031 0.000 0.797 452 S HN 0.768 nan 8.310 nan 0.000 0.504 453 D N -1.098 119.355 120.400 0.089 0.000 2.825 453 D HA 0.178 4.818 4.640 -0.000 0.000 0.327 453 D C 0.582 177.019 176.300 0.228 0.000 1.277 453 D CA -0.490 53.614 54.000 0.174 0.000 0.950 453 D CB -0.011 40.831 40.800 0.071 0.000 1.438 453 D HN 0.004 nan 8.370 nan 0.000 0.526 454 E N 0.269 120.539 120.200 0.116 0.000 2.268 454 E HA -0.236 4.113 4.350 -0.000 0.000 0.195 454 E C 0.807 177.415 176.600 0.013 0.000 0.995 454 E CA 0.983 57.400 56.400 0.030 0.000 0.836 454 E CB -0.376 29.232 29.700 -0.153 0.000 0.763 454 E HN 0.591 nan 8.360 nan 0.000 0.491 455 N N 0.642 119.347 118.700 0.009 0.000 2.135 455 N HA -0.132 4.608 4.740 -0.000 0.000 0.186 455 N C 1.676 177.182 175.510 -0.006 0.000 1.027 455 N CA 0.726 53.774 53.050 -0.003 0.000 0.849 455 N CB 0.188 38.672 38.487 -0.004 0.000 1.002 455 N HN 0.038 nan 8.380 nan 0.000 0.425 456 E N 0.949 121.150 120.200 0.001 0.000 2.085 456 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 456 E C 2.150 178.725 176.600 -0.043 0.000 0.994 456 E CA 0.556 56.944 56.400 -0.020 0.000 0.801 456 E CB -0.855 28.829 29.700 -0.026 0.000 0.743 456 E HN 0.438 nan 8.360 nan 0.000 0.453 457 C N 1.308 120.594 119.300 -0.023 0.000 2.386 457 C HA -0.187 4.272 4.460 -0.000 0.000 0.279 457 C C 2.775 177.678 174.990 -0.145 0.000 1.208 457 C CA 1.331 60.308 59.018 -0.068 0.000 1.747 457 C CB -0.859 26.880 27.740 -0.001 0.000 2.046 457 C HN 0.422 nan 8.230 nan 0.000 0.453 458 R N 0.097 120.525 120.500 -0.121 0.000 2.091 458 R HA -0.088 4.252 4.340 -0.000 0.000 0.238 458 R C 1.424 177.645 176.300 -0.133 0.000 1.136 458 R CA 0.859 56.852 56.100 -0.177 0.000 0.959 458 R CB -0.436 29.849 30.300 -0.027 0.000 0.856 458 R HN 0.658 nan 8.270 nan 0.000 0.437 462 Y N 1.691 121.862 120.300 -0.216 0.000 2.145 462 Y HA -0.253 4.297 4.550 0.000 0.000 0.286 462 Y C 2.396 178.510 175.900 0.356 0.000 1.145 462 Y CA 2.735 61.024 58.100 0.315 0.000 1.148 462 Y CB -0.054 38.611 38.460 0.342 0.000 0.981 462 Y HN 0.063 nan 8.280 nan 0.000 0.507 463 T N -0.285 114.458 114.554 0.313 0.000 2.684 463 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 463 T C 1.949 176.766 174.700 0.194 0.000 1.036 463 T CA 1.509 63.755 62.100 0.244 0.000 1.148 463 T CB -1.064 67.951 68.868 0.246 0.000 0.863 463 T HN 0.618 nan 8.240 nan 0.000 0.436 464 G N -0.378 108.506 108.800 0.139 0.000 2.408 464 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 464 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 464 G C 1.362 176.371 174.900 0.182 0.000 1.150 464 G CA 0.567 45.751 45.100 0.141 0.000 0.776 464 G HN 0.574 nan 8.290 nan 0.000 0.542 465 Y N 0.655 120.978 120.300 0.039 0.000 2.224 465 Y HA -0.128 4.422 4.550 -0.000 0.000 0.289 465 Y C 2.352 178.120 175.900 -0.220 0.000 1.146 465 Y CA 1.715 59.794 58.100 -0.036 0.000 1.182 465 Y CB 0.197 38.695 38.460 0.065 0.000 0.983 465 Y HN 0.299 nan 8.280 nan 0.000 0.524 466 H N -1.753 117.308 119.070 -0.015 0.000 2.520 466 H HA 0.033 4.589 4.556 -0.000 0.000 0.284 466 H C -0.865 174.454 175.328 -0.015 0.000 1.037 466 H CA -0.094 55.879 56.048 -0.124 0.000 1.168 466 H CB -0.488 29.157 29.762 -0.195 0.000 1.497 466 H HN 0.268 nan 8.280 nan 0.000 0.547 467 Y N 2.064 122.366 120.300 0.004 0.000 2.425 467 Y HA 0.144 4.694 4.550 -0.000 0.000 0.347 467 Y C 0.102 175.990 175.900 -0.020 0.000 0.976 467 Y CA -0.675 57.438 58.100 0.022 0.000 1.190 467 Y CB 0.302 38.799 38.460 0.061 0.000 1.136 467 Y HN -0.128 nan 8.280 nan 0.000 0.517 468 N N 3.510 121.988 118.700 -0.370 0.000 2.203 468 N HA 0.021 4.761 4.740 -0.000 0.000 0.207 468 N C -0.045 175.230 175.510 -0.393 0.000 1.130 468 N CA 0.264 53.131 53.050 -0.306 0.000 0.861 468 N CB 0.387 38.756 38.487 -0.197 0.000 1.005 468 N HN 0.652 nan 8.380 nan 0.000 0.507 469 D N -0.486 119.452 120.400 -0.770 0.000 2.350 469 D HA 0.223 4.863 4.640 -0.000 0.000 0.213 469 D C 1.004 177.174 176.300 -0.217 0.000 1.031 469 D CA 0.498 54.199 54.000 -0.498 0.000 0.861 469 D CB 0.747 41.236 40.800 -0.519 0.000 0.926 469 D HN 0.263 nan 8.370 nan 0.000 0.520 470 G N 0.403 109.161 108.800 -0.071 0.000 2.342 470 G HA2 0.286 4.246 3.960 -0.000 0.000 0.297 470 G HA3 0.286 4.246 3.960 -0.000 0.000 0.297 470 G C -3.086 172.024 174.900 0.351 0.000 1.313 470 G CA -0.926 44.304 45.100 0.216 0.000 0.830 470 G HN -0.269 nan 8.290 nan 0.000 0.506 471 P HA 0.388 nan 4.420 nan 0.000 0.275 471 P C -0.308 177.153 177.300 0.268 0.000 1.228 471 P CA 0.044 63.321 63.100 0.295 0.000 0.786 471 P CB 1.569 33.465 31.700 0.326 0.000 0.927 472 S N 0.468 116.328 115.700 0.267 0.000 2.570 472 S HA 0.852 5.322 4.470 -0.000 0.000 0.286 472 S C -1.063 173.669 174.600 0.219 0.000 1.099 472 S CA -0.933 57.356 58.200 0.148 0.000 0.913 472 S CB 1.868 65.108 63.200 0.068 0.000 1.085 472 S HN 0.659 nan 8.310 nan 0.000 0.480 473 A N 1.328 124.214 122.820 0.109 0.000 2.422 473 A HA 0.779 5.099 4.320 -0.000 0.000 0.302 473 A C -1.239 176.342 177.584 -0.004 0.000 1.041 473 A CA -0.794 51.302 52.037 0.098 0.000 0.708 473 A CB 1.620 20.643 19.000 0.039 0.000 1.257 473 A HN 1.068 nan 8.150 nan 0.000 0.414 474 V N 3.194 123.108 119.914 -0.001 0.000 2.443 474 V HA 0.574 4.693 4.120 -0.000 0.000 0.293 474 V C -0.100 175.964 176.094 -0.051 0.000 1.021 474 V CA -0.556 61.728 62.300 -0.028 0.000 0.848 474 V CB 1.392 33.218 31.823 0.005 0.000 0.998 474 V HN 1.025 nan 8.190 nan 0.000 0.424 475 R N 4.398 124.829 120.500 -0.115 0.000 2.494 475 R HA 0.817 5.156 4.340 -0.000 0.000 0.305 475 R C -1.457 174.710 176.300 -0.222 0.000 0.959 475 R CA -0.678 55.253 56.100 -0.283 0.000 0.864 475 R CB 1.590 31.733 30.300 -0.263 0.000 1.159 475 R HN 0.627 nan 8.270 nan 0.000 0.446 476 Y N -0.622 119.506 120.300 -0.286 0.000 2.581 476 Y HA 0.713 5.263 4.550 -0.000 0.000 0.345 476 Y C -2.858 172.830 175.900 -0.353 0.000 1.036 476 Y CA -3.517 54.319 58.100 -0.440 0.000 1.042 476 Y CB 1.165 39.291 38.460 -0.558 0.000 1.289 476 Y HN 0.470 nan 8.280 nan 0.000 0.471 477 P HA 0.233 nan 4.420 nan 0.000 0.281 477 P C -0.959 176.357 177.300 0.026 0.000 1.281 477 P CA -0.682 62.341 63.100 -0.129 0.000 0.811 477 P CB 1.561 33.198 31.700 -0.106 0.000 1.154 478 R N 0.178 120.673 120.500 -0.008 0.000 2.347 478 R HA 0.510 4.850 4.340 -0.000 0.000 0.304 478 R C 0.180 176.545 176.300 0.110 0.000 1.072 478 R CA 0.586 56.709 56.100 0.038 0.000 0.980 478 R CB -0.642 29.648 30.300 -0.017 0.000 0.986 478 R HN 0.881 nan 8.270 nan 0.000 0.448 479 G N 2.635 111.529 108.800 0.157 0.000 2.347 479 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.341 479 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.341 479 G C -1.444 173.527 174.900 0.118 0.000 1.287 479 G CA -0.960 44.219 45.100 0.133 0.000 0.984 479 G HN 0.696 nan 8.290 nan 0.000 0.526 480 N N 0.218 118.940 118.700 0.038 0.000 2.483 480 N HA 0.564 5.304 4.740 -0.000 0.000 0.269 480 N C 0.842 176.236 175.510 -0.195 0.000 1.209 480 N CA -0.123 52.876 53.050 -0.085 0.000 0.969 480 N CB 1.348 39.805 38.487 -0.050 0.000 1.173 480 N HN 0.962 nan 8.380 nan 0.000 0.475 481 A N 0.265 122.840 122.820 -0.408 0.000 2.296 481 A HA 0.206 4.526 4.320 -0.000 0.000 0.276 481 A C 1.315 178.815 177.584 -0.140 0.000 1.356 481 A CA -0.341 51.414 52.037 -0.470 0.000 0.825 481 A CB -0.166 18.534 19.000 -0.501 0.000 1.308 481 A HN 0.590 nan 8.150 nan 0.000 0.515 482 V N -4.089 115.781 119.914 -0.073 0.000 3.431 482 V HA 0.542 4.662 4.120 -0.000 0.000 0.253 482 V C 1.129 177.203 176.094 -0.033 0.000 1.184 482 V CA 1.236 63.522 62.300 -0.024 0.000 1.104 482 V CB -0.279 31.551 31.823 0.011 0.000 0.799 482 V HN 2.436 nan 8.190 nan 0.000 0.462 483 G N 0.829 109.600 108.800 -0.049 0.000 2.141 483 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.164 483 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.164 483 G C 0.066 174.950 174.900 -0.027 0.000 1.009 483 G CA 0.257 45.334 45.100 -0.039 0.000 0.677 483 G HN 1.583 nan 8.290 nan 0.000 0.508 484 V N -2.512 117.387 119.914 -0.024 0.000 3.489 484 V HA 0.824 4.944 4.120 -0.000 0.000 0.297 484 V C 0.605 176.689 176.094 -0.017 0.000 1.071 484 V CA -0.738 61.552 62.300 -0.015 0.000 1.074 484 V CB 1.087 32.905 31.823 -0.009 0.000 1.188 484 V HN 0.167 nan 8.190 nan 0.000 0.458 485 E N 0.879 121.072 120.200 -0.012 0.000 2.249 485 E HA 0.539 4.889 4.350 -0.000 0.000 0.280 485 E C -0.698 175.896 176.600 -0.011 0.000 1.016 485 E CA -0.299 56.094 56.400 -0.011 0.000 0.830 485 E CB 1.174 30.869 29.700 -0.008 0.000 1.081 485 E HN 0.648 nan 8.360 nan 0.000 0.395 486 L N 3.331 124.547 121.223 -0.011 0.000 2.278 486 L HA 0.301 4.641 4.340 -0.000 0.000 0.287 486 L C 0.587 177.452 176.870 -0.009 0.000 1.072 486 L CA -0.555 54.279 54.840 -0.009 0.000 0.819 486 L CB 0.331 42.387 42.059 -0.005 0.000 1.176 486 L HN 0.571 nan 8.230 nan 0.000 0.435 487 T N 0.800 115.347 114.554 -0.012 0.000 2.927 487 T HA 0.530 4.880 4.350 -0.000 0.000 0.281 487 T C -2.334 172.349 174.700 -0.028 0.000 0.998 487 T CA -1.926 60.164 62.100 -0.016 0.000 1.019 487 T CB 1.286 70.147 68.868 -0.013 0.000 1.061 487 T HN 0.349 nan 8.240 nan 0.000 0.518 488 P HA 0.148 nan 4.420 nan 0.000 0.266 488 P C -0.127 177.109 177.300 -0.107 0.000 1.195 488 P CA -0.363 62.702 63.100 -0.058 0.000 0.768 488 P CB 0.417 32.092 31.700 -0.043 0.000 0.838 489 L N 2.131 123.236 121.223 -0.196 0.000 2.490 489 L HA 0.117 4.457 4.340 -0.000 0.000 0.274 489 L C 1.075 177.675 176.870 -0.450 0.000 1.201 489 L CA 0.801 55.392 54.840 -0.416 0.000 0.869 489 L CB -0.220 41.386 42.059 -0.755 0.000 1.123 489 L HN 0.573 nan 8.230 nan 0.000 0.484 490 E N 3.066 123.104 120.200 -0.271 0.000 2.347 490 E HA 0.214 4.564 4.350 -0.000 0.000 0.285 490 E C -1.288 175.477 176.600 0.276 0.000 0.925 490 E CA -0.862 55.556 56.400 0.029 0.000 0.779 490 E CB 1.417 31.135 29.700 0.029 0.000 1.233 490 E HN 0.401 nan 8.360 nan 0.000 0.414 491 K N 2.985 123.649 120.400 0.440 0.000 2.524 491 K HA 0.069 4.389 4.320 -0.000 0.000 0.279 491 K C -0.213 176.533 176.600 0.243 0.000 0.993 491 K CA 0.449 56.955 56.287 0.366 0.000 1.030 491 K CB 0.370 33.026 32.500 0.260 0.000 0.891 491 K HN 0.420 nan 8.250 nan 0.000 0.488 492 L N 4.940 126.313 121.223 0.250 0.000 2.309 492 L HA 0.306 4.646 4.340 -0.000 0.000 0.282 492 L C -2.079 174.909 176.870 0.197 0.000 1.036 492 L CA -2.429 52.545 54.840 0.224 0.000 0.806 492 L CB 1.308 43.534 42.059 0.280 0.000 1.220 492 L HN 0.370 nan 8.230 nan 0.000 0.429 493 P HA 0.035 nan 4.420 nan 0.000 0.264 493 P C -0.489 176.729 177.300 -0.137 0.000 1.193 493 P CA -0.158 62.953 63.100 0.018 0.000 0.763 493 P CB 0.181 31.883 31.700 0.002 0.000 0.810 494 I N 2.606 123.038 120.570 -0.231 0.000 2.618 494 I HA 0.089 4.259 4.170 -0.000 0.000 0.284 494 I C 1.616 177.216 176.117 -0.861 0.000 1.146 494 I CA 0.709 61.614 61.300 -0.657 0.000 1.425 494 I CB -0.924 36.904 38.000 -0.286 0.000 1.383 494 I HN 0.757 nan 8.210 nan 0.000 0.562 495 G N 5.234 113.005 108.800 -1.716 0.000 2.246 495 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.273 495 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.273 495 G C 0.041 174.723 174.900 -0.364 0.000 1.055 495 G CA -0.067 44.555 45.100 -0.796 0.000 0.851 495 G HN 0.556 nan 8.290 nan 0.000 0.500 496 K N -0.138 120.090 120.400 -0.287 0.000 2.426 496 K HA 0.683 5.003 4.320 -0.000 0.000 0.254 496 K C 0.819 177.474 176.600 0.091 0.000 0.936 496 K CA 0.318 56.578 56.287 -0.046 0.000 0.801 496 K CB 1.659 34.132 32.500 -0.045 0.000 1.139 496 K HN 0.434 nan 8.250 nan 0.000 0.424 497 G N 1.977 110.800 108.800 0.040 0.000 2.532 497 G HA2 0.718 4.678 3.960 -0.000 0.000 0.291 497 G HA3 0.718 4.678 3.960 -0.000 0.000 0.291 497 G C -0.637 174.264 174.900 0.000 0.000 1.349 497 G CA -0.721 44.387 45.100 0.013 0.000 1.038 497 G HN 0.651 nan 8.290 nan 0.000 0.518 498 I N -2.723 117.831 120.570 -0.027 0.000 2.610 498 I HA 0.515 4.685 4.170 -0.000 0.000 0.289 498 I C -0.943 175.153 176.117 -0.034 0.000 1.163 498 I CA -1.157 60.131 61.300 -0.019 0.000 1.044 498 I CB 2.140 40.135 38.000 -0.009 0.000 1.251 498 I HN 0.194 nan 8.210 nan 0.000 0.424 499 V N 6.697 126.597 119.914 -0.023 0.000 2.488 499 V HA 0.274 4.394 4.120 -0.000 0.000 0.277 499 V C 0.967 177.050 176.094 -0.017 0.000 1.046 499 V CA -0.277 62.010 62.300 -0.023 0.000 0.986 499 V CB 1.011 32.830 31.823 -0.006 0.000 0.989 499 V HN 0.763 nan 8.190 nan 0.000 0.475 500 K N 3.844 124.231 120.400 -0.023 0.000 2.354 500 K HA 0.283 4.603 4.320 -0.000 0.000 0.194 500 K C 0.663 177.258 176.600 -0.008 0.000 1.045 500 K CA 0.183 56.460 56.287 -0.017 0.000 1.026 500 K CB 0.759 33.244 32.500 -0.024 0.000 0.866 500 K HN 0.545 nan 8.250 nan 0.000 0.530 501 R N 0.868 121.365 120.500 -0.005 0.000 2.560 501 R HA 0.178 4.518 4.340 -0.000 0.000 0.267 501 R C -1.290 175.022 176.300 0.020 0.000 1.150 501 R CA -0.515 55.589 56.100 0.006 0.000 0.997 501 R CB 1.256 31.558 30.300 0.003 0.000 1.250 501 R HN -0.182 nan 8.270 nan 0.000 0.433 502 R N 1.805 122.323 120.500 0.030 0.000 2.234 502 R HA 0.401 4.740 4.340 -0.000 0.000 0.324 502 R C 0.090 176.426 176.300 0.061 0.000 1.054 502 R CA -0.066 56.067 56.100 0.054 0.000 0.912 502 R CB 1.513 31.837 30.300 0.041 0.000 1.030 502 R HN 0.822 nan 8.270 nan 0.000 0.455 503 G N 0.959 109.822 108.800 0.105 0.000 3.262 503 G HA2 0.429 4.389 3.960 -0.000 0.000 0.229 503 G HA3 0.429 4.389 3.960 -0.000 0.000 0.229 503 G C -1.113 173.856 174.900 0.115 0.000 1.280 503 G CA -0.108 45.050 45.100 0.097 0.000 0.951 503 G HN 0.365 nan 8.290 nan 0.000 0.589 504 E N -1.204 119.062 120.200 0.110 0.000 2.317 504 E HA 0.397 4.747 4.350 -0.000 0.000 0.270 504 E C 0.681 177.362 176.600 0.134 0.000 0.885 504 E CA -0.220 56.227 56.400 0.079 0.000 0.760 504 E CB 1.846 31.568 29.700 0.036 0.000 1.227 504 E HN 0.697 nan 8.360 nan 0.000 0.434 505 K N 1.032 121.491 120.400 0.099 0.000 4.606 505 K HA -0.302 4.018 4.320 -0.000 0.000 0.363 505 K C -0.637 176.107 176.600 0.240 0.000 0.635 505 K CA 1.914 58.277 56.287 0.128 0.000 1.549 505 K CB -1.152 31.394 32.500 0.076 0.000 1.342 505 K HN 0.284 nan 8.250 nan 0.000 0.548 506 L N 0.778 122.144 121.223 0.239 0.000 2.346 506 L HA 0.662 5.002 4.340 -0.000 0.000 0.276 506 L C -0.479 176.404 176.870 0.021 0.000 1.006 506 L CA 0.104 55.035 54.840 0.152 0.000 0.817 506 L CB 1.842 43.969 42.059 0.113 0.000 1.272 506 L HN 0.364 nan 8.230 nan 0.000 0.421 507 A N 5.152 127.861 122.820 -0.186 0.000 2.304 507 A HA 0.764 5.084 4.320 -0.000 0.000 0.314 507 A C -0.677 176.804 177.584 -0.173 0.000 1.187 507 A CA -0.386 51.424 52.037 -0.378 0.000 0.810 507 A CB 0.384 18.897 19.000 -0.812 0.000 1.183 507 A HN 0.607 nan 8.150 nan 0.000 0.487 508 I N 3.530 124.026 120.570 -0.123 0.000 2.304 508 I HA 0.222 4.392 4.170 -0.000 0.000 0.291 508 I C -0.561 175.500 176.117 -0.094 0.000 1.018 508 I CA -0.163 61.087 61.300 -0.083 0.000 1.260 508 I CB 1.136 39.101 38.000 -0.057 0.000 1.390 508 I HN 0.480 nan 8.210 nan 0.000 0.475 509 L N 6.924 128.102 121.223 -0.075 0.000 2.264 509 L HA 0.365 4.705 4.340 -0.000 0.000 0.287 509 L C 0.101 176.908 176.870 -0.104 0.000 1.039 509 L CA -0.284 54.489 54.840 -0.112 0.000 0.829 509 L CB 0.473 42.506 42.059 -0.043 0.000 1.211 509 L HN 0.643 nan 8.230 nan 0.000 0.427 510 N N 3.502 122.082 118.700 -0.199 0.000 2.438 510 N HA 0.341 5.081 4.740 -0.000 0.000 0.282 510 N C -1.527 173.809 175.510 -0.290 0.000 1.037 510 N CA -0.372 52.598 53.050 -0.134 0.000 0.942 510 N CB 1.287 39.719 38.487 -0.093 0.000 1.136 510 N HN 0.238 nan 8.380 nan 0.000 0.481 511 F N 2.477 122.383 119.950 -0.073 0.000 2.434 511 F HA 0.491 5.018 4.527 -0.000 0.000 0.367 511 F C 1.057 176.796 175.800 -0.101 0.000 1.093 511 F CA -0.002 57.948 58.000 -0.083 0.000 1.085 511 F CB 1.148 40.096 39.000 -0.086 0.000 1.322 511 F HN 0.771 nan 8.300 nan 0.000 0.452 512 G N 1.187 109.995 108.800 0.013 0.000 2.447 512 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.220 512 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.220 512 G C 0.634 175.503 174.900 -0.052 0.000 1.261 512 G CA -0.315 44.762 45.100 -0.039 0.000 1.000 512 G HN 0.637 nan 8.290 nan 0.000 0.515 513 T N -0.401 114.107 114.554 -0.076 0.000 3.155 513 T HA 0.327 4.677 4.350 -0.000 0.000 0.264 513 T C 1.581 176.269 174.700 -0.020 0.000 1.160 513 T CA 1.189 63.261 62.100 -0.048 0.000 1.075 513 T CB -0.246 68.573 68.868 -0.081 0.000 0.921 513 T HN 0.590 nan 8.240 nan 0.000 0.533 517 E N 0.574 120.770 120.200 -0.007 0.000 2.076 517 E HA 0.054 4.404 4.350 -0.000 0.000 0.190 517 E C 1.885 178.477 176.600 -0.012 0.000 0.979 517 E CA 1.449 57.844 56.400 -0.009 0.000 0.807 517 E CB -0.583 29.110 29.700 -0.012 0.000 0.761 517 E HN 0.364 nan 8.360 nan 0.000 0.454 518 A N 1.733 124.543 122.820 -0.017 0.000 1.908 518 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 518 A C 2.421 179.994 177.584 -0.018 0.000 1.181 518 A CA 2.300 54.325 52.037 -0.021 0.000 0.627 518 A CB -0.635 18.348 19.000 -0.028 0.000 0.818 518 A HN 0.265 nan 8.150 nan 0.000 0.445 519 A N -0.193 122.617 122.820 -0.016 0.000 1.877 519 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 519 A C 2.101 179.681 177.584 -0.007 0.000 1.186 519 A CA 1.797 53.827 52.037 -0.013 0.000 0.620 519 A CB -0.465 18.529 19.000 -0.011 0.000 0.822 519 A HN 0.556 nan 8.150 nan 0.000 0.443 520 K N -0.380 120.017 120.400 -0.005 0.000 2.063 520 K HA -0.105 4.215 4.320 -0.000 0.000 0.208 520 K C 1.833 178.433 176.600 0.000 0.000 1.048 520 K CA 1.506 57.792 56.287 -0.002 0.000 0.928 520 K CB -0.419 32.080 32.500 -0.001 0.000 0.713 520 K HN 0.332 nan 8.250 nan 0.000 0.442 521 V N 1.300 121.213 119.914 -0.002 0.000 2.427 521 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 521 V C 2.366 178.463 176.094 0.004 0.000 1.051 521 V CA 1.955 64.256 62.300 0.001 0.000 1.048 521 V CB -0.674 31.147 31.823 -0.004 0.000 0.666 521 V HN 0.353 nan 8.190 nan 0.000 0.456 522 A N -0.467 122.352 122.820 -0.001 0.000 1.902 522 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 522 A C 2.237 179.826 177.584 0.009 0.000 1.181 522 A CA 1.603 53.641 52.037 0.002 0.000 0.623 522 A CB -0.400 18.596 19.000 -0.006 0.000 0.818 522 A HN 0.486 nan 8.150 nan 0.000 0.443 523 E N -0.232 119.972 120.200 0.006 0.000 2.051 523 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 523 E C 2.385 178.992 176.600 0.012 0.000 0.991 523 E CA 1.333 57.738 56.400 0.009 0.000 0.799 523 E CB -0.706 28.997 29.700 0.006 0.000 0.748 523 E HN 0.539 nan 8.360 nan 0.000 0.449 524 S N 0.104 115.810 115.700 0.011 0.000 2.383 524 S HA -0.093 4.377 4.470 -0.000 0.000 0.229 524 S C 1.841 176.452 174.600 0.019 0.000 1.030 524 S CA 0.887 59.096 58.200 0.014 0.000 1.002 524 S CB -0.019 63.188 63.200 0.013 0.000 0.829 524 S HN 0.177 nan 8.310 nan 0.000 0.467 525 L N 0.820 122.057 121.223 0.022 0.000 2.640 525 L HA 0.306 4.646 4.340 -0.000 0.000 0.230 525 L C 0.624 177.514 176.870 0.033 0.000 1.123 525 L CA 0.137 54.995 54.840 0.030 0.000 0.900 525 L CB -0.494 41.587 42.059 0.037 0.000 1.146 525 L HN 0.350 nan 8.230 nan 0.000 0.484 526 N N 0.954 119.671 118.700 0.028 0.000 2.746 526 N HA -0.171 4.568 4.740 -0.000 0.000 0.250 526 N C -0.421 175.117 175.510 0.046 0.000 1.055 526 N CA 0.699 53.768 53.050 0.032 0.000 0.699 526 N CB -0.556 37.949 38.487 0.030 0.000 0.919 526 N HN 0.432 nan 8.380 nan 0.000 0.548 527 A N -0.021 122.824 122.820 0.041 0.000 2.311 527 A HA 0.740 5.060 4.320 -0.000 0.000 0.334 527 A C 0.520 178.128 177.584 0.040 0.000 1.139 527 A CA -0.158 51.909 52.037 0.050 0.000 0.830 527 A CB 0.905 19.923 19.000 0.029 0.000 1.234 527 A HN 0.326 nan 8.150 nan 0.000 0.483 528 T N 0.723 115.302 114.554 0.043 0.000 2.918 528 T HA 0.420 4.770 4.350 -0.000 0.000 0.302 528 T C -0.591 174.079 174.700 -0.050 0.000 1.045 528 T CA 0.539 62.650 62.100 0.018 0.000 1.114 528 T CB 0.221 69.091 68.868 0.004 0.000 0.965 528 T HN 0.559 nan 8.240 nan 0.000 0.540 529 L N 4.808 126.007 121.223 -0.040 0.000 2.406 529 L HA 0.741 5.081 4.340 -0.000 0.000 0.272 529 L C -0.844 175.988 176.870 -0.064 0.000 0.980 529 L CA -0.698 54.109 54.840 -0.055 0.000 0.831 529 L CB 1.582 43.620 42.059 -0.035 0.000 1.253 529 L HN 0.461 nan 8.230 nan 0.000 0.406 530 V N 2.934 122.792 119.914 -0.093 0.000 2.769 530 V HA 0.730 4.850 4.120 -0.000 0.000 0.312 530 V C -1.049 174.958 176.094 -0.145 0.000 1.061 530 V CA -0.312 61.925 62.300 -0.104 0.000 0.931 530 V CB 1.998 33.754 31.823 -0.112 0.000 1.010 530 V HN 0.860 nan 8.190 nan 0.000 0.433 534 F N 1.199 121.144 119.950 -0.009 0.000 2.444 534 F HA 0.331 4.858 4.527 -0.000 0.000 0.342 534 F C 1.411 177.329 175.800 0.196 0.000 1.121 534 F CA -0.557 57.477 58.000 0.057 0.000 0.997 534 F CB 2.153 41.165 39.000 0.019 0.000 1.130 534 F HN -0.284 nan 8.300 nan 0.000 0.454 535 V N 1.975 122.072 119.914 0.305 0.000 2.725 535 V HA 0.025 4.145 4.120 -0.000 0.000 0.247 535 V C 0.284 176.479 176.094 0.167 0.000 1.058 535 V CA 1.018 63.460 62.300 0.237 0.000 1.080 535 V CB -0.064 31.770 31.823 0.018 0.000 0.713 535 V HN 0.616 nan 8.190 nan 0.000 0.465 536 K N 0.997 121.506 120.400 0.182 0.000 2.588 536 K HA 0.338 4.658 4.320 -0.000 0.000 0.250 536 K C -3.115 173.587 176.600 0.170 0.000 0.972 536 K CA -1.626 54.741 56.287 0.132 0.000 0.821 536 K CB 2.773 35.311 32.500 0.063 0.000 1.249 536 K HN -0.037 nan 8.250 nan 0.000 0.442 537 P HA 0.177 nan 4.420 nan 0.000 0.284 537 P C -0.473 176.867 177.300 0.068 0.000 1.253 537 P CA -0.492 62.635 63.100 0.044 0.000 0.800 537 P CB 1.048 32.738 31.700 -0.016 0.000 0.961 538 L N 2.141 123.421 121.223 0.095 0.000 2.439 538 L HA 0.138 4.478 4.340 -0.000 0.000 0.269 538 L C 1.317 178.226 176.870 0.065 0.000 1.179 538 L CA -0.082 54.836 54.840 0.130 0.000 0.828 538 L CB -0.030 42.118 42.059 0.148 0.000 1.106 538 L HN 0.349 nan 8.230 nan 0.000 0.467 539 D N 2.413 122.850 120.400 0.062 0.000 2.541 539 D HA -0.024 4.616 4.640 -0.000 0.000 0.231 539 D C 1.067 177.383 176.300 0.027 0.000 1.163 539 D CA 0.277 54.286 54.000 0.015 0.000 1.077 539 D CB 0.390 41.193 40.800 0.005 0.000 1.110 539 D HN 0.504 nan 8.370 nan 0.000 0.499 540 E N 1.374 121.594 120.200 0.034 0.000 2.085 540 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 540 E C 1.862 178.455 176.600 -0.012 0.000 0.994 540 E CA 1.209 57.636 56.400 0.043 0.000 0.801 540 E CB 0.136 29.891 29.700 0.092 0.000 0.743 540 E HN 0.541 nan 8.360 nan 0.000 0.453 541 A N 1.270 124.076 122.820 -0.023 0.000 1.877 541 A HA -0.189 4.130 4.320 -0.000 0.000 0.216 541 A C 2.170 179.735 177.584 -0.031 0.000 1.186 541 A CA 1.200 53.211 52.037 -0.043 0.000 0.620 541 A CB -0.595 18.387 19.000 -0.031 0.000 0.822 541 A HN 0.234 nan 8.150 nan 0.000 0.443 542 L N 0.057 121.271 121.223 -0.016 0.000 2.046 542 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 542 L C 2.224 179.091 176.870 -0.006 0.000 1.077 542 L CA 1.647 56.480 54.840 -0.011 0.000 0.747 542 L CB -0.518 41.532 42.059 -0.015 0.000 0.896 542 L HN 0.455 nan 8.230 nan 0.000 0.432 543 I N -1.144 119.427 120.570 0.002 0.000 2.179 543 I HA -0.349 3.821 4.170 -0.000 0.000 0.242 543 I C 2.391 178.515 176.117 0.011 0.000 1.088 543 I CA 1.455 62.766 61.300 0.017 0.000 1.357 543 I CB -0.322 37.707 38.000 0.049 0.000 1.051 543 I HN 0.267 nan 8.210 nan 0.000 0.409 544 L N 0.258 121.469 121.223 -0.021 0.000 2.046 544 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 544 L C 1.688 178.553 176.870 -0.009 0.000 1.077 544 L CA 0.835 55.649 54.840 -0.043 0.000 0.747 544 L CB -0.532 41.441 42.059 -0.143 0.000 0.896 544 L HN 0.311 nan 8.230 nan 0.000 0.432 548 A N 0.939 123.804 122.820 0.075 0.000 1.968 548 A HA 0.148 4.468 4.320 -0.000 0.000 0.217 548 A C 2.007 179.610 177.584 0.033 0.000 1.169 548 A CA 2.334 54.398 52.037 0.045 0.000 0.638 548 A CB -0.590 18.423 19.000 0.021 0.000 0.812 548 A HN 1.364 nan 8.150 nan 0.000 0.446 549 S N -1.323 114.410 115.700 0.055 0.000 2.577 549 S HA 0.311 4.781 4.470 -0.000 0.000 0.219 549 S C 0.140 174.540 174.600 -0.333 0.000 0.962 549 S CA -0.409 57.734 58.200 -0.094 0.000 0.921 549 S CB -0.294 62.840 63.200 -0.111 0.000 0.789 549 S HN 0.602 nan 8.310 nan 0.000 0.497 550 H N -0.032 119.052 119.070 0.022 0.000 2.949 550 H HA 0.485 5.041 4.556 -0.000 0.000 0.356 550 H C 0.319 175.670 175.328 0.037 0.000 1.212 550 H CA -0.834 55.233 56.048 0.030 0.000 1.136 550 H CB 1.065 30.850 29.762 0.038 0.000 1.869 550 H HN -0.011 nan 8.280 nan 0.000 0.556 551 E N 0.276 120.575 120.200 0.165 0.000 2.170 551 E HA 0.303 4.652 4.350 -0.000 0.000 0.191 551 E C -0.126 176.552 176.600 0.131 0.000 0.981 551 E CA 0.693 57.156 56.400 0.105 0.000 0.830 551 E CB 0.539 30.280 29.700 0.068 0.000 0.775 551 E HN 0.497 nan 8.360 nan 0.000 0.470 552 A N 0.412 123.343 122.820 0.184 0.000 2.606 552 A HA 0.619 4.939 4.320 -0.000 0.000 0.293 552 A C -1.414 176.282 177.584 0.187 0.000 1.082 552 A CA -0.729 51.450 52.037 0.237 0.000 0.685 552 A CB 1.087 20.302 19.000 0.359 0.000 1.284 552 A HN 0.040 nan 8.150 nan 0.000 0.408 553 L N 0.387 121.707 121.223 0.161 0.000 2.322 553 L HA 0.833 5.173 4.340 -0.000 0.000 0.269 553 L C -0.933 175.926 176.870 -0.018 0.000 1.012 553 L CA -1.207 53.657 54.840 0.042 0.000 0.815 553 L CB 1.999 44.074 42.059 0.027 0.000 1.295 553 L HN 0.425 nan 8.230 nan 0.000 0.438 554 V N -0.086 119.789 119.914 -0.064 0.000 2.524 554 V HA 0.334 4.454 4.120 -0.000 0.000 0.297 554 V C -0.177 175.875 176.094 -0.069 0.000 1.035 554 V CA -0.588 61.636 62.300 -0.127 0.000 0.867 554 V CB 2.110 33.863 31.823 -0.117 0.000 1.004 554 V HN 0.897 nan 8.190 nan 0.000 0.426 555 T N 2.158 116.673 114.554 -0.064 0.000 2.829 555 T HA 0.800 5.150 4.350 -0.000 0.000 0.282 555 T C -0.628 174.078 174.700 0.010 0.000 0.990 555 T CA -0.681 61.447 62.100 0.047 0.000 1.028 555 T CB 1.707 70.618 68.868 0.071 0.000 0.951 555 T HN 0.314 nan 8.240 nan 0.000 0.460 556 V N 3.913 123.882 119.914 0.091 0.000 2.487 556 V HA 0.691 4.811 4.120 -0.000 0.000 0.298 556 V C -0.398 175.749 176.094 0.089 0.000 1.028 556 V CA -0.736 61.584 62.300 0.034 0.000 0.860 556 V CB 1.269 33.095 31.823 0.005 0.000 0.991 556 V HN 1.144 nan 8.190 nan 0.000 0.427 557 E N 2.606 122.799 120.200 -0.011 0.000 2.363 557 E HA 0.426 4.776 4.350 -0.000 0.000 0.281 557 E C -1.043 175.499 176.600 -0.096 0.000 0.953 557 E CA -0.843 55.534 56.400 -0.039 0.000 0.778 557 E CB 2.221 31.840 29.700 -0.136 0.000 1.220 557 E HN 0.541 nan 8.360 nan 0.000 0.431 558 E N 2.092 122.229 120.200 -0.105 0.000 2.127 558 E HA 0.217 4.567 4.350 -0.000 0.000 0.262 558 E C -1.201 175.291 176.600 -0.181 0.000 1.144 558 E CA -0.038 56.281 56.400 -0.134 0.000 1.144 558 E CB 0.036 29.663 29.700 -0.121 0.000 1.297 558 E HN 0.460 nan 8.360 nan 0.000 0.469 559 N N -0.094 118.488 118.700 -0.197 0.000 2.927 559 N HA 0.401 5.141 4.740 -0.000 0.000 0.248 559 N C -1.572 173.809 175.510 -0.215 0.000 1.443 559 N CA -0.538 52.371 53.050 -0.235 0.000 0.870 559 N CB 1.259 39.610 38.487 -0.226 0.000 1.444 559 N HN 0.144 nan 8.380 nan 0.000 0.519 560 A N 1.281 123.983 122.820 -0.196 0.000 2.540 560 A HA 0.282 4.602 4.320 -0.000 0.000 0.239 560 A C 0.553 178.067 177.584 -0.116 0.000 1.061 560 A CA 0.001 51.968 52.037 -0.115 0.000 0.758 560 A CB -0.538 18.509 19.000 0.079 0.000 0.991 560 A HN 0.602 nan 8.150 nan 0.000 0.502 564 G N 0.295 109.025 108.800 -0.118 0.000 2.489 564 G HA2 0.526 4.486 3.960 -0.000 0.000 0.271 564 G HA3 0.526 4.486 3.960 -0.000 0.000 0.271 564 G C 1.546 176.291 174.900 -0.258 0.000 1.427 564 G CA 0.497 45.487 45.100 -0.182 0.000 1.057 564 G HN 0.840 nan 8.290 nan 0.000 0.532 565 A N -0.843 121.732 122.820 -0.408 0.000 1.908 565 A HA 0.029 4.349 4.320 -0.000 0.000 0.218 565 A C 2.603 179.826 177.584 -0.602 0.000 1.181 565 A CA 2.512 54.131 52.037 -0.697 0.000 0.627 565 A CB -1.223 16.956 19.000 -1.369 0.000 0.818 565 A HN 1.066 nan 8.150 nan 0.000 0.445 566 G N -1.083 107.454 108.800 -0.439 0.000 2.422 566 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 566 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 566 G C 1.905 176.719 174.900 -0.144 0.000 1.146 566 G CA 1.486 46.449 45.100 -0.228 0.000 0.769 566 G HN 0.570 nan 8.290 nan 0.000 0.547 567 S N 0.518 116.130 115.700 -0.147 0.000 2.370 567 S HA -0.045 4.425 4.470 -0.000 0.000 0.226 567 S C 2.547 177.105 174.600 -0.070 0.000 1.033 567 S CA 1.947 60.092 58.200 -0.091 0.000 1.011 567 S CB -0.781 62.367 63.200 -0.087 0.000 0.852 567 S HN 0.474 nan 8.310 nan 0.000 0.457 568 G N 0.617 109.358 108.800 -0.099 0.000 2.442 568 G HA2 -0.152 3.807 3.960 -0.000 0.000 0.219 568 G HA3 -0.152 3.807 3.960 -0.000 0.000 0.219 568 G C 1.462 176.359 174.900 -0.005 0.000 1.141 568 G CA 1.161 46.228 45.100 -0.055 0.000 0.763 568 G HN 0.492 nan 8.290 nan 0.000 0.554 569 V N 1.555 121.467 119.914 -0.003 0.000 2.427 569 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 569 V C 2.617 178.740 176.094 0.048 0.000 1.051 569 V CA 1.781 64.115 62.300 0.058 0.000 1.048 569 V CB -0.458 31.418 31.823 0.089 0.000 0.666 569 V HN 0.325 nan 8.190 nan 0.000 0.456 570 N N 0.426 119.138 118.700 0.021 0.000 2.120 570 N HA -0.179 4.561 4.740 -0.000 0.000 0.188 570 N C 1.787 177.318 175.510 0.034 0.000 1.024 570 N CA 1.494 54.562 53.050 0.029 0.000 0.852 570 N CB -0.306 38.189 38.487 0.013 0.000 1.003 570 N HN 0.611 nan 8.380 nan 0.000 0.424 571 E N 0.467 120.679 120.200 0.020 0.000 2.058 571 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 571 E C 2.016 178.633 176.600 0.028 0.000 0.997 571 E CA 0.973 57.382 56.400 0.015 0.000 0.801 571 E CB -0.089 29.613 29.700 0.003 0.000 0.746 571 E HN 0.040 nan 8.360 nan 0.000 0.450 572 V N 1.854 121.804 119.914 0.060 0.000 2.255 572 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 572 V C 1.693 177.895 176.094 0.179 0.000 1.051 572 V CA 1.224 63.596 62.300 0.119 0.000 1.018 572 V CB -0.487 31.427 31.823 0.152 0.000 0.641 572 V HN 0.168 nan 8.190 nan 0.000 0.445 576 H N 0.852 119.933 119.070 0.019 0.000 2.519 576 H HA 0.266 4.822 4.556 -0.000 0.000 0.289 576 H C 0.340 175.679 175.328 0.019 0.000 1.040 576 H CA 0.334 56.393 56.048 0.018 0.000 1.165 576 H CB 0.212 29.987 29.762 0.021 0.000 1.462 576 H HN 0.407 nan 8.280 nan 0.000 0.555 577 R N 1.120 121.674 120.500 0.089 0.000 3.627 577 R HA -0.135 4.205 4.340 -0.000 0.000 0.281 577 R C -0.656 175.689 176.300 0.075 0.000 1.140 577 R CA 0.394 56.534 56.100 0.066 0.000 0.761 577 R CB -0.886 29.444 30.300 0.051 0.000 1.181 577 R HN 0.193 nan 8.270 nan 0.000 0.472 578 K N 0.711 121.167 120.400 0.094 0.000 2.682 578 K HA 0.243 4.563 4.320 -0.000 0.000 0.189 578 K C -2.273 174.371 176.600 0.074 0.000 1.062 578 K CA -1.588 54.746 56.287 0.079 0.000 0.997 578 K CB 1.413 33.962 32.500 0.082 0.000 1.405 578 K HN 0.086 nan 8.250 nan 0.000 0.588 579 P HA 0.061 nan 4.420 nan 0.000 0.263 579 P C -0.120 177.220 177.300 0.066 0.000 1.601 579 P CA -0.162 62.975 63.100 0.062 0.000 1.161 579 P CB 0.253 31.983 31.700 0.050 0.000 1.730 580 V N 6.356 126.319 119.914 0.081 0.000 2.472 580 V HA 0.278 4.398 4.120 -0.000 0.000 0.290 580 V C -1.657 174.516 176.094 0.131 0.000 1.037 580 V CA -2.078 60.278 62.300 0.093 0.000 0.908 580 V CB 1.337 33.218 31.823 0.097 0.000 0.985 580 V HN 0.412 nan 8.190 nan 0.000 0.454 581 P HA 0.122 nan 4.420 nan 0.000 0.263 581 P C -0.960 176.600 177.300 0.434 0.000 1.195 581 P CA 0.225 63.491 63.100 0.277 0.000 0.762 581 P CB 0.822 32.607 31.700 0.143 0.000 0.799 582 V N 4.833 124.982 119.914 0.393 0.000 2.531 582 V HA 0.237 4.357 4.120 -0.000 0.000 0.301 582 V C 0.034 176.001 176.094 -0.211 0.000 1.034 582 V CA -0.869 61.505 62.300 0.123 0.000 0.865 582 V CB 1.828 33.683 31.823 0.052 0.000 0.995 582 V HN 0.409 nan 8.190 nan 0.000 0.424 583 L N 5.170 125.935 121.223 -0.764 0.000 2.257 583 L HA 0.572 4.912 4.340 -0.000 0.000 0.290 583 L C -0.052 176.507 176.870 -0.518 0.000 1.044 583 L CA 0.113 54.276 54.840 -1.127 0.000 0.810 583 L CB 0.914 41.919 42.059 -1.756 0.000 1.193 583 L HN 0.573 nan 8.230 nan 0.000 0.425 584 N N 7.028 125.511 118.700 -0.362 0.000 2.415 584 N HA 0.322 5.062 4.740 -0.000 0.000 0.246 584 N C -0.639 174.742 175.510 -0.214 0.000 1.078 584 N CA 0.023 52.937 53.050 -0.226 0.000 0.942 584 N CB 1.167 39.556 38.487 -0.163 0.000 1.140 584 N HN 0.595 nan 8.380 nan 0.000 0.501 585 I N 1.358 121.818 120.570 -0.182 0.000 2.353 585 I HA 0.534 4.704 4.170 -0.000 0.000 0.293 585 I C 1.061 177.099 176.117 -0.130 0.000 0.992 585 I CA -0.249 60.961 61.300 -0.151 0.000 1.268 585 I CB 1.451 39.373 38.000 -0.129 0.000 1.387 585 I HN 0.510 nan 8.210 nan 0.000 0.478 586 G N 5.724 114.443 108.800 -0.134 0.000 2.356 586 G HA2 0.285 4.245 3.960 -0.000 0.000 0.281 586 G HA3 0.285 4.245 3.960 -0.000 0.000 0.281 586 G C -1.393 173.407 174.900 -0.166 0.000 1.246 586 G CA -0.951 44.063 45.100 -0.144 0.000 0.889 586 G HN 0.347 nan 8.290 nan 0.000 0.486 587 L N 2.077 123.184 121.223 -0.194 0.000 2.367 587 L HA 0.348 4.688 4.340 -0.000 0.000 0.275 587 L C -1.921 174.777 176.870 -0.286 0.000 1.129 587 L CA -1.398 53.292 54.840 -0.249 0.000 0.839 587 L CB 1.066 42.963 42.059 -0.269 0.000 1.133 587 L HN 0.245 nan 8.230 nan 0.000 0.453 588 P HA -0.015 nan 4.420 nan 0.000 0.273 588 P C -0.565 176.457 177.300 -0.463 0.000 1.250 588 P CA -0.372 62.449 63.100 -0.466 0.000 0.793 588 P CB 0.479 31.726 31.700 -0.755 0.000 1.011 589 D N 0.578 120.825 120.400 -0.256 0.000 2.885 589 D HA 0.189 4.829 4.640 -0.000 0.000 0.234 589 D C -1.055 175.221 176.300 -0.040 0.000 1.129 589 D CA 0.086 54.004 54.000 -0.136 0.000 0.991 589 D CB -1.357 39.413 40.800 -0.049 0.000 1.137 589 D HN 0.170 nan 8.370 nan 0.000 0.459 590 F N -1.712 118.180 119.950 -0.098 0.000 2.665 590 F HA 0.465 4.992 4.527 -0.000 0.000 0.308 590 F C -1.331 174.431 175.800 -0.064 0.000 1.112 590 F CA -1.937 56.005 58.000 -0.097 0.000 0.972 590 F CB 0.089 39.101 39.000 0.020 0.000 1.295 590 F HN -0.326 nan 8.300 nan 0.000 0.440 591 F N 3.174 123.403 119.950 0.465 0.000 2.578 591 F HA 0.299 4.826 4.527 -0.000 0.000 0.381 591 F C 0.504 176.549 175.800 0.407 0.000 1.069 591 F CA 0.136 58.361 58.000 0.376 0.000 1.231 591 F CB 0.100 39.325 39.000 0.375 0.000 1.086 591 F HN 0.236 nan 8.300 nan 0.000 0.564 592 I N 6.418 127.226 120.570 0.397 0.000 2.517 592 I HA 0.128 4.297 4.170 -0.000 0.000 0.285 592 I C -1.954 174.292 176.117 0.215 0.000 1.106 592 I CA -2.203 59.266 61.300 0.282 0.000 1.402 592 I CB -0.268 37.791 38.000 0.099 0.000 1.399 592 I HN 0.353 nan 8.210 nan 0.000 0.535 593 P HA 0.050 nan 4.420 nan 0.000 0.271 593 P C -0.786 176.483 177.300 -0.052 0.000 1.233 593 P CA -0.549 62.553 63.100 0.003 0.000 0.789 593 P CB 0.316 32.003 31.700 -0.023 0.000 0.951 594 Q N 0.743 120.442 119.800 -0.168 0.000 2.492 594 Q HA 0.512 4.852 4.340 -0.000 0.000 0.238 594 Q C 0.121 176.045 176.000 -0.126 0.000 1.045 594 Q CA -0.342 55.363 55.803 -0.163 0.000 0.934 594 Q CB 0.181 28.754 28.738 -0.275 0.000 1.276 594 Q HN 0.659 nan 8.270 nan 0.000 0.521 595 G N 0.080 108.819 108.800 -0.101 0.000 2.368 595 G HA2 0.041 4.001 3.960 -0.000 0.000 0.302 595 G HA3 0.041 4.001 3.960 -0.000 0.000 0.302 595 G C -1.090 173.779 174.900 -0.052 0.000 1.329 595 G CA -0.534 44.519 45.100 -0.078 0.000 0.935 595 G HN 0.630 nan 8.290 nan 0.000 0.590 596 T N 0.723 115.252 114.554 -0.041 0.000 2.900 596 T HA 0.243 4.593 4.350 -0.000 0.000 0.307 596 T C 1.831 176.519 174.700 -0.020 0.000 1.065 596 T CA 0.517 62.601 62.100 -0.027 0.000 1.105 596 T CB 1.134 69.989 68.868 -0.022 0.000 0.979 596 T HN 0.549 nan 8.240 nan 0.000 0.544 597 Q N 0.814 120.606 119.800 -0.013 0.000 2.124 597 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 597 Q C 2.270 178.263 176.000 -0.012 0.000 0.977 597 Q CA 1.538 57.334 55.803 -0.012 0.000 0.850 597 Q CB -0.018 28.717 28.738 -0.005 0.000 0.901 597 Q HN 0.776 nan 8.270 nan 0.000 0.429 598 E N 1.109 121.304 120.200 -0.009 0.000 2.047 598 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 598 E C 0.180 176.774 176.600 -0.010 0.000 0.987 598 E CA 0.416 56.811 56.400 -0.008 0.000 0.799 598 E CB 0.232 29.929 29.700 -0.005 0.000 0.752 598 E HN 0.285 nan 8.360 nan 0.000 0.449 602 A N 1.444 124.260 122.820 -0.007 0.000 1.898 602 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 602 A C 1.838 179.424 177.584 0.004 0.000 1.181 602 A CA 1.415 53.450 52.037 -0.003 0.000 0.620 602 A CB -0.306 18.692 19.000 -0.003 0.000 0.819 602 A HN 0.244 nan 8.150 nan 0.000 0.442 603 E N -0.036 120.169 120.200 0.009 0.000 2.110 603 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 603 E C 1.614 178.237 176.600 0.040 0.000 0.988 603 E CA 0.958 57.372 56.400 0.024 0.000 0.804 603 E CB -0.166 29.552 29.700 0.029 0.000 0.745 603 E HN 0.660 nan 8.360 nan 0.000 0.458 604 L N -0.491 120.749 121.223 0.028 0.000 2.599 604 L HA 0.106 4.446 4.340 -0.000 0.000 0.230 604 L C 1.287 178.154 176.870 -0.005 0.000 1.141 604 L CA 0.423 55.274 54.840 0.018 0.000 0.877 604 L CB -0.086 41.960 42.059 -0.022 0.000 1.009 604 L HN 0.199 nan 8.230 nan 0.000 0.447 605 G N 0.626 109.426 108.800 -0.001 0.000 2.176 605 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.252 605 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.252 605 G C 0.502 175.389 174.900 -0.023 0.000 1.024 605 G CA 0.059 45.155 45.100 -0.008 0.000 0.755 605 G HN 0.366 nan 8.290 nan 0.000 0.507 606 L N 0.596 121.803 121.223 -0.027 0.000 2.685 606 L HA 0.275 4.615 4.340 -0.000 0.000 0.233 606 L C 0.819 177.673 176.870 -0.027 0.000 1.173 606 L CA 0.115 54.933 54.840 -0.036 0.000 0.961 606 L CB -0.223 41.807 42.059 -0.048 0.000 1.217 606 L HN 0.467 nan 8.230 nan 0.000 0.478 607 D N -1.327 119.062 120.400 -0.018 0.000 2.442 607 D HA 0.334 4.974 4.640 -0.000 0.000 0.254 607 D C 1.063 177.356 176.300 -0.011 0.000 1.069 607 D CA -0.234 53.759 54.000 -0.013 0.000 1.017 607 D CB 1.276 42.072 40.800 -0.008 0.000 1.172 607 D HN -0.123 nan 8.370 nan 0.000 0.561 608 A N 0.588 123.403 122.820 -0.007 0.000 1.869 608 A HA -0.106 4.213 4.320 -0.000 0.000 0.218 608 A C 2.175 179.758 177.584 -0.001 0.000 1.203 608 A CA 3.309 55.343 52.037 -0.005 0.000 0.638 608 A CB -1.506 17.492 19.000 -0.002 0.000 0.831 608 A HN 0.780 nan 8.150 nan 0.000 0.450 609 A N -0.458 122.363 122.820 0.001 0.000 1.940 609 A HA 0.244 4.564 4.320 -0.000 0.000 0.219 609 A C 1.781 179.368 177.584 0.006 0.000 1.176 609 A CA 1.602 53.642 52.037 0.005 0.000 0.631 609 A CB -1.521 17.482 19.000 0.005 0.000 0.814 609 A HN 0.987 nan 8.150 nan 0.000 0.446 613 A N 1.663 124.499 122.820 0.028 0.000 1.930 613 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 613 A C 1.925 179.540 177.584 0.050 0.000 1.175 613 A CA 1.692 53.750 52.037 0.036 0.000 0.627 613 A CB -0.324 18.693 19.000 0.028 0.000 0.815 613 A HN 0.178 nan 8.150 nan 0.000 0.443 614 K N -0.382 120.040 120.400 0.037 0.000 2.057 614 K HA -0.032 4.288 4.320 -0.000 0.000 0.207 614 K C 1.765 178.424 176.600 0.098 0.000 1.049 614 K CA 1.509 57.822 56.287 0.042 0.000 0.931 614 K CB -0.349 32.141 32.500 -0.016 0.000 0.714 614 K HN 0.527 nan 8.250 nan 0.000 0.440 615 I N 1.008 121.632 120.570 0.089 0.000 2.226 615 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 615 I C 2.092 178.341 176.117 0.219 0.000 1.100 615 I CA 1.164 62.570 61.300 0.177 0.000 1.374 615 I CB -0.128 37.944 38.000 0.119 0.000 1.057 615 I HN 0.034 nan 8.210 nan 0.000 0.413 616 K N 1.154 121.633 120.400 0.133 0.000 2.002 616 K HA -0.100 4.220 4.320 -0.000 0.000 0.209 616 K C 2.197 178.863 176.600 0.110 0.000 1.048 616 K CA 1.700 58.048 56.287 0.103 0.000 0.930 616 K CB -0.670 31.870 32.500 0.066 0.000 0.714 616 K HN 0.298 nan 8.250 nan 0.000 0.438 617 A N -0.305 122.586 122.820 0.118 0.000 1.908 617 A HA -0.206 4.113 4.320 -0.000 0.000 0.218 617 A C 2.105 179.787 177.584 0.164 0.000 1.181 617 A CA 1.680 53.785 52.037 0.114 0.000 0.627 617 A CB -1.075 17.988 19.000 0.105 0.000 0.818 617 A HN 0.599 nan 8.150 nan 0.000 0.445 618 W N 0.496 121.800 121.300 0.007 0.000 2.358 618 W HA -0.114 4.546 4.660 -0.000 0.000 0.303 618 W C 1.767 178.291 176.519 0.009 0.000 1.208 618 W CA 1.780 59.130 57.345 0.007 0.000 1.274 618 W CB -0.360 29.104 29.460 0.006 0.000 1.138 618 W HN 0.248 nan 8.180 nan 0.000 0.515 619 L N 0.242 121.483 121.223 0.029 0.000 2.156 619 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 619 L C 2.650 179.448 176.870 -0.119 0.000 1.095 619 L CA 1.057 55.804 54.840 -0.155 0.000 0.770 619 L CB -1.250 40.797 42.059 -0.021 0.000 0.914 619 L HN 0.037 nan 8.230 nan 0.000 0.439 620 A N 0.225 123.023 122.820 -0.037 0.000 1.972 620 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 620 A C 1.457 179.010 177.584 -0.052 0.000 1.169 620 A CA 0.672 52.692 52.037 -0.029 0.000 0.635 620 A CB -0.604 18.400 19.000 0.007 0.000 0.810 620 A HN 0.245 nan 8.150 nan 0.000 0.446 621 L N 0.000 121.179 121.223 -0.073 0.000 2.949 621 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 621 L CA 0.000 54.794 54.840 -0.077 0.000 0.813 621 L CB 0.000 41.998 42.059 -0.102 0.000 0.961 621 L HN 0.000 nan 8.230 nan 0.000 0.502