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_A 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 XXXXXXPGTL 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 AKIKAWLA 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 0.000 175.867 175.800 0.111 0.000 0.967 3 F CA 0.000 58.059 58.000 0.098 0.000 1.383 3 F CB 0.000 39.085 39.000 0.141 0.000 1.145 4 D N 2.301 122.593 120.400 -0.181 0.000 2.482 4 D HA 0.198 4.838 4.640 -0.000 0.000 0.244 4 D C 1.378 177.310 176.300 -0.614 0.000 1.242 4 D CA 0.354 54.169 54.000 -0.308 0.000 1.097 4 D CB 0.067 40.739 40.800 -0.213 0.000 1.109 4 D HN 0.542 nan 8.370 nan 0.000 0.510 5 I N 1.553 121.921 120.570 -0.336 0.000 2.315 5 I HA -0.307 3.863 4.170 -0.000 0.000 0.251 5 I C 2.199 178.217 176.117 -0.164 0.000 1.125 5 I CA 0.959 62.153 61.300 -0.177 0.000 1.392 5 I CB 0.024 38.056 38.000 0.054 0.000 1.065 5 I HN 0.305 nan 8.210 nan 0.000 0.424 6 A N 0.026 122.740 122.820 -0.177 0.000 2.030 6 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 6 A C 2.332 179.776 177.584 -0.232 0.000 1.164 6 A CA 0.753 52.699 52.037 -0.151 0.000 0.697 6 A CB -0.229 18.704 19.000 -0.112 0.000 0.827 6 A HN 0.291 nan 8.150 nan 0.000 0.457 7 K N -1.386 118.782 120.400 -0.387 0.000 2.228 7 K HA -0.040 4.280 4.320 -0.000 0.000 0.202 7 K C -0.697 175.416 176.600 -0.812 0.000 1.051 7 K CA 0.798 56.710 56.287 -0.626 0.000 0.960 7 K CB -0.029 31.976 32.500 -0.824 0.000 0.743 7 K HN 0.551 nan 8.250 nan 0.000 0.458 8 Y N 0.298 120.465 120.300 -0.223 0.000 2.535 8 Y HA 0.245 4.795 4.550 0.000 0.000 0.351 8 Y C -2.007 173.848 175.900 -0.075 0.000 1.050 8 Y CA -2.049 55.973 58.100 -0.131 0.000 1.168 8 Y CB 1.394 39.774 38.460 -0.133 0.000 1.116 8 Y HN 0.053 nan 8.280 nan 0.000 0.654 9 P HA -0.164 nan 4.420 nan 0.000 0.216 9 P C 1.024 178.376 177.300 0.087 0.000 1.150 9 P CA 1.722 64.849 63.100 0.045 0.000 0.837 9 P CB 0.431 32.137 31.700 0.010 0.000 0.786 10 T N 0.428 115.041 114.554 0.099 0.000 2.852 10 T HA 0.027 4.377 4.350 -0.000 0.000 0.256 10 T C 1.940 176.704 174.700 0.106 0.000 1.038 10 T CA 0.332 62.486 62.100 0.091 0.000 1.141 10 T CB -0.847 68.068 68.868 0.077 0.000 0.869 10 T HN 0.010 nan 8.240 nan 0.000 0.439 11 L N 1.025 122.334 121.223 0.143 0.000 2.127 11 L HA -0.129 4.211 4.340 -0.000 0.000 0.211 11 L C 2.815 179.764 176.870 0.131 0.000 1.089 11 L CA 1.248 56.150 54.840 0.103 0.000 0.757 11 L CB -0.568 41.538 42.059 0.078 0.000 0.899 11 L HN 0.289 nan 8.230 nan 0.000 0.434 12 A N -0.146 122.856 122.820 0.303 0.000 1.978 12 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 12 A C 1.906 179.549 177.584 0.099 0.000 1.170 12 A CA 1.207 53.433 52.037 0.314 0.000 0.636 12 A CB -0.625 18.583 19.000 0.347 0.000 0.810 12 A HN 0.501 nan 8.150 nan 0.000 0.448 13 L N 0.022 121.290 121.223 0.076 0.000 2.675 13 L HA 0.078 4.418 4.340 -0.000 0.000 0.239 13 L C -0.671 176.203 176.870 0.007 0.000 1.151 13 L CA -0.101 54.762 54.840 0.039 0.000 0.905 13 L CB -0.319 41.769 42.059 0.049 0.000 1.057 13 L HN 0.099 nan 8.230 nan 0.000 0.435 14 V N -0.813 119.082 119.914 -0.031 0.000 2.447 14 V HA 0.231 4.351 4.120 -0.000 0.000 0.292 14 V C -0.133 175.876 176.094 -0.141 0.000 1.021 14 V CA -0.428 61.832 62.300 -0.067 0.000 0.850 14 V CB 1.990 33.780 31.823 -0.055 0.000 1.005 14 V HN 0.074 nan 8.190 nan 0.000 0.426 15 D N 1.932 122.255 120.400 -0.129 0.000 2.479 15 D HA 0.153 4.793 4.640 -0.000 0.000 0.221 15 D C 0.693 176.890 176.300 -0.171 0.000 1.104 15 D CA 0.675 54.576 54.000 -0.164 0.000 0.849 15 D CB 1.544 42.270 40.800 -0.124 0.000 1.072 15 D HN 0.668 nan 8.370 nan 0.000 0.502 16 S N -1.072 114.547 115.700 -0.135 0.000 2.556 16 S HA 0.245 4.715 4.470 -0.000 0.000 0.271 16 S C 1.034 175.578 174.600 -0.094 0.000 1.135 16 S CA -0.321 57.797 58.200 -0.136 0.000 0.858 16 S CB 1.612 64.798 63.200 -0.022 0.000 1.114 16 S HN -0.042 nan 8.310 nan 0.000 0.468 17 T N -1.166 113.333 114.554 -0.092 0.000 2.881 17 T HA -0.198 4.152 4.350 -0.000 0.000 0.270 17 T C 1.595 176.342 174.700 0.078 0.000 1.068 17 T CA 1.604 63.712 62.100 0.013 0.000 1.131 17 T CB -0.630 68.315 68.868 0.128 0.000 0.871 17 T HN 0.709 nan 8.240 nan 0.000 0.479 18 Q N 1.151 121.000 119.800 0.082 0.000 2.050 18 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 18 Q C 2.345 178.364 176.000 0.032 0.000 0.980 18 Q CA 1.859 57.696 55.803 0.056 0.000 0.840 18 Q CB -0.151 28.620 28.738 0.055 0.000 0.898 18 Q HN 0.748 nan 8.270 nan 0.000 0.424 19 E N 0.302 120.517 120.200 0.025 0.000 2.051 19 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 19 E C 2.121 178.751 176.600 0.048 0.000 0.991 19 E CA 1.171 57.585 56.400 0.023 0.000 0.799 19 E CB -0.286 29.417 29.700 0.005 0.000 0.748 19 E HN 0.296 nan 8.360 nan 0.000 0.449 20 L N 1.674 122.933 121.223 0.060 0.000 2.051 20 L HA -0.225 4.115 4.340 -0.000 0.000 0.214 20 L C 2.048 179.034 176.870 0.192 0.000 1.076 20 L CA 1.828 56.744 54.840 0.128 0.000 0.758 20 L CB -0.228 41.914 42.059 0.139 0.000 0.890 20 L HN -0.065 nan 8.230 nan 0.000 0.433 21 R N -0.834 119.709 120.500 0.072 0.000 2.328 21 R HA -0.040 4.300 4.340 -0.000 0.000 0.207 21 R C 2.020 178.283 176.300 -0.062 0.000 1.056 21 R CA 0.896 56.914 56.100 -0.136 0.000 1.016 21 R CB -0.303 29.883 30.300 -0.189 0.000 0.872 21 R HN 0.461 nan 8.270 nan 0.000 0.471 22 L N 0.356 121.607 121.223 0.046 0.000 2.307 22 L HA 0.065 4.405 4.340 -0.000 0.000 0.211 22 L C 0.852 177.790 176.870 0.113 0.000 1.099 22 L CA 0.095 54.968 54.840 0.055 0.000 0.816 22 L CB -0.039 42.043 42.059 0.039 0.000 0.952 22 L HN 0.099 nan 8.230 nan 0.000 0.455 23 L N 1.732 123.057 121.223 0.170 0.000 2.483 23 L HA 0.077 4.417 4.340 -0.000 0.000 0.276 23 L C -1.837 175.161 176.870 0.213 0.000 1.213 23 L CA -1.373 53.567 54.840 0.166 0.000 0.843 23 L CB -0.076 42.075 42.059 0.154 0.000 1.107 23 L HN -0.100 nan 8.230 nan 0.000 0.487 24 P HA 0.132 nan 4.420 nan 0.000 0.279 24 P C -0.245 177.084 177.300 0.048 0.000 1.239 24 P CA -0.553 62.613 63.100 0.110 0.000 0.789 24 P CB 1.153 32.893 31.700 0.066 0.000 0.933 25 K N 1.707 122.125 120.400 0.029 0.000 2.052 25 K HA -0.224 4.096 4.320 -0.000 0.000 0.215 25 K C 1.805 178.351 176.600 -0.090 0.000 1.053 25 K CA 2.093 58.311 56.287 -0.115 0.000 0.934 25 K CB -0.225 32.247 32.500 -0.047 0.000 0.717 25 K HN 0.606 nan 8.250 nan 0.000 0.450 26 E N 0.566 120.749 120.200 -0.029 0.000 2.331 26 E HA -0.178 4.172 4.350 -0.000 0.000 0.199 26 E C 1.663 178.254 176.600 -0.015 0.000 1.008 26 E CA 1.265 57.654 56.400 -0.017 0.000 0.843 26 E CB -0.250 29.451 29.700 0.001 0.000 0.761 26 E HN 0.154 nan 8.360 nan 0.000 0.507 27 S N 0.047 115.737 115.700 -0.016 0.000 2.528 27 S HA 0.114 4.584 4.470 -0.000 0.000 0.219 27 S C 1.914 176.507 174.600 -0.013 0.000 0.985 27 S CA -0.230 57.969 58.200 -0.002 0.000 0.914 27 S CB -0.160 63.052 63.200 0.019 0.000 0.776 27 S HN 0.244 nan 8.310 nan 0.000 0.526 28 L N 1.441 122.628 121.223 -0.060 0.000 2.046 28 L HA -0.003 4.337 4.340 -0.000 0.000 0.208 28 L C -0.764 176.094 176.870 -0.020 0.000 1.077 28 L CA 1.218 56.015 54.840 -0.071 0.000 0.747 28 L CB -1.815 40.131 42.059 -0.189 0.000 0.896 28 L HN 0.235 nan 8.230 nan 0.000 0.432 29 P HA -0.220 nan 4.420 nan 0.000 0.215 29 P C 1.503 178.821 177.300 0.030 0.000 1.153 29 P CA 1.417 64.525 63.100 0.013 0.000 0.853 29 P CB 0.008 31.714 31.700 0.010 0.000 0.788 30 K N -0.383 120.034 120.400 0.027 0.000 2.057 30 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 30 K C 1.959 178.594 176.600 0.059 0.000 1.050 30 K CA 1.058 57.370 56.287 0.041 0.000 0.935 30 K CB -0.748 31.773 32.500 0.035 0.000 0.715 30 K HN -0.053 nan 8.250 nan 0.000 0.439 31 L N 1.605 122.859 121.223 0.052 0.000 2.012 31 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 31 L C 2.133 179.049 176.870 0.077 0.000 1.073 31 L CA 1.794 56.672 54.840 0.065 0.000 0.748 31 L CB -0.903 41.187 42.059 0.051 0.000 0.891 31 L HN 0.314 nan 8.230 nan 0.000 0.431 32 C N 0.050 119.392 119.300 0.070 0.000 2.401 32 C HA -0.181 4.279 4.460 -0.000 0.000 0.276 32 C C 2.389 177.436 174.990 0.096 0.000 1.233 32 C CA 0.955 60.025 59.018 0.085 0.000 1.753 32 C CB -1.240 26.549 27.740 0.081 0.000 2.029 32 C HN 0.611 nan 8.230 nan 0.000 0.478 33 D N 0.378 120.832 120.400 0.089 0.000 2.117 33 D HA -0.112 4.528 4.640 -0.000 0.000 0.197 33 D C 2.102 178.486 176.300 0.140 0.000 0.987 33 D CA 1.189 55.248 54.000 0.097 0.000 0.829 33 D CB -0.498 40.350 40.800 0.079 0.000 0.961 33 D HN 0.625 nan 8.370 nan 0.000 0.460 34 E N -0.010 120.286 120.200 0.160 0.000 2.072 34 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 34 E C 2.066 178.780 176.600 0.191 0.000 0.985 34 E CA 0.204 56.757 56.400 0.255 0.000 0.801 34 E CB -0.024 29.832 29.700 0.260 0.000 0.750 34 E HN 0.072 nan 8.360 nan 0.000 0.452 35 L N 1.266 122.565 121.223 0.127 0.000 2.083 35 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 35 L C 2.322 179.284 176.870 0.153 0.000 1.083 35 L CA 1.671 56.580 54.840 0.115 0.000 0.752 35 L CB -0.248 41.868 42.059 0.095 0.000 0.899 35 L HN -0.078 nan 8.230 nan 0.000 0.433 36 R N -0.855 119.730 120.500 0.142 0.000 2.066 36 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 36 R C 2.426 178.811 176.300 0.142 0.000 1.131 36 R CA 1.279 57.460 56.100 0.135 0.000 0.955 36 R CB -0.150 30.217 30.300 0.112 0.000 0.851 36 R HN 0.309 nan 8.270 nan 0.000 0.432 37 R N -0.867 119.737 120.500 0.173 0.000 2.081 37 R HA -0.189 4.151 4.340 -0.000 0.000 0.235 37 R C 2.215 178.628 176.300 0.190 0.000 1.131 37 R CA 1.704 57.925 56.100 0.201 0.000 0.960 37 R CB -0.542 29.933 30.300 0.291 0.000 0.856 37 R HN 0.351 nan 8.270 nan 0.000 0.436 38 Y N 1.456 121.747 120.300 -0.015 0.000 2.224 38 Y HA -0.194 4.356 4.550 -0.000 0.000 0.289 38 Y C 2.144 177.997 175.900 -0.079 0.000 1.146 38 Y CA 1.293 59.237 58.100 -0.261 0.000 1.182 38 Y CB -0.093 38.038 38.460 -0.548 0.000 0.983 38 Y HN 0.009 nan 8.280 nan 0.000 0.524 39 L N -0.346 120.874 121.223 -0.007 0.000 2.046 39 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 39 L C 1.986 178.812 176.870 -0.073 0.000 1.077 39 L CA 1.407 56.245 54.840 -0.003 0.000 0.747 39 L CB -0.291 41.857 42.059 0.148 0.000 0.896 39 L HN 0.351 nan 8.230 nan 0.000 0.432 40 L N -0.931 120.266 121.223 -0.043 0.000 2.395 40 L HA -0.125 4.215 4.340 -0.000 0.000 0.218 40 L C 1.516 178.288 176.870 -0.164 0.000 1.130 40 L CA 0.444 55.215 54.840 -0.115 0.000 0.826 40 L CB -0.332 41.721 42.059 -0.010 0.000 0.941 40 L HN 0.254 nan 8.230 nan 0.000 0.451 41 D N -1.346 118.964 120.400 -0.151 0.000 2.366 41 D HA -0.013 4.627 4.640 -0.000 0.000 0.205 41 D C 2.087 178.255 176.300 -0.221 0.000 1.022 41 D CA 1.049 54.971 54.000 -0.131 0.000 0.868 41 D CB 0.488 41.299 40.800 0.018 0.000 0.953 41 D HN 0.296 nan 8.370 nan 0.000 0.514 42 S N -0.670 114.799 115.700 -0.385 0.000 2.545 42 S HA 0.115 4.585 4.470 -0.000 0.000 0.232 42 S C 0.930 175.386 174.600 -0.240 0.000 1.070 42 S CA -0.284 57.693 58.200 -0.372 0.000 0.923 42 S CB 0.336 63.111 63.200 -0.708 0.000 0.806 42 S HN -0.112 nan 8.310 nan 0.000 0.506 43 V N 3.225 123.008 119.914 -0.218 0.000 2.546 43 V HA 0.436 4.556 4.120 -0.000 0.000 0.284 43 V C 0.591 176.594 176.094 -0.152 0.000 1.050 43 V CA -0.552 61.675 62.300 -0.121 0.000 0.981 43 V CB 1.338 33.182 31.823 0.036 0.000 0.990 43 V HN 0.511 nan 8.190 nan 0.000 0.474 44 S N 4.973 120.618 115.700 -0.092 0.000 2.525 44 S HA 0.079 4.549 4.470 -0.000 0.000 0.285 44 S C 1.419 175.967 174.600 -0.086 0.000 1.283 44 S CA -0.556 57.590 58.200 -0.090 0.000 1.072 44 S CB 0.217 63.389 63.200 -0.046 0.000 0.867 44 S HN 0.638 nan 8.310 nan 0.000 0.492 45 R N 3.117 123.518 120.500 -0.164 0.000 2.249 45 R HA -0.057 4.283 4.340 -0.000 0.000 0.230 45 R C 2.330 178.710 176.300 0.133 0.000 1.121 45 R CA 1.141 57.163 56.100 -0.130 0.000 0.997 45 R CB -1.615 28.604 30.300 -0.136 0.000 0.867 45 R HN 0.717 nan 8.270 nan 0.000 0.465 46 S N 0.180 115.919 115.700 0.065 0.000 2.500 46 S HA -0.039 4.431 4.470 -0.000 0.000 0.239 46 S C 1.509 176.165 174.600 0.093 0.000 0.989 46 S CA 0.927 59.171 58.200 0.073 0.000 0.951 46 S CB -0.003 63.215 63.200 0.030 0.000 0.759 46 S HN 0.227 nan 8.310 nan 0.000 0.523 47 S N -0.298 115.492 115.700 0.151 0.000 2.528 47 S HA 0.283 4.753 4.470 -0.000 0.000 0.219 47 S C 1.811 176.481 174.600 0.117 0.000 0.985 47 S CA 0.569 58.862 58.200 0.154 0.000 0.914 47 S CB -0.399 62.965 63.200 0.273 0.000 0.776 47 S HN 0.850 nan 8.310 nan 0.000 0.526 48 G N 1.698 110.652 108.800 0.257 0.000 3.111 48 G HA2 -0.443 3.517 3.960 -0.000 0.000 0.230 48 G HA3 -0.443 3.517 3.960 -0.000 0.000 0.230 48 G C 0.709 175.516 174.900 -0.155 0.000 1.225 48 G CA 1.390 46.544 45.100 0.090 0.000 0.907 48 G HN 0.677 nan 8.290 nan 0.000 0.542 49 H N 0.649 119.611 119.070 -0.181 0.000 2.543 49 H HA 0.035 4.591 4.556 -0.000 0.000 0.286 49 H C 2.395 177.226 175.328 -0.829 0.000 1.037 49 H CA 1.139 56.869 56.048 -0.530 0.000 1.250 49 H CB -0.306 29.185 29.762 -0.452 0.000 1.373 49 H HN 0.741 nan 8.280 nan 0.000 0.580 50 F N 0.281 119.986 119.950 -0.409 0.000 2.202 50 F HA -0.096 4.431 4.527 0.000 0.000 0.301 50 F C 2.397 178.098 175.800 -0.164 0.000 1.082 50 F CA 0.609 58.431 58.000 -0.297 0.000 1.313 50 F CB -0.627 38.373 39.000 -0.002 0.000 1.024 50 F HN 0.018 nan 8.300 nan 0.000 0.495 51 A N 0.629 122.681 122.820 -1.281 0.000 1.877 51 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 51 A C 2.393 179.787 177.584 -0.315 0.000 1.186 51 A CA 1.977 53.543 52.037 -0.785 0.000 0.620 51 A CB -1.333 17.242 19.000 -0.709 0.000 0.822 51 A HN 0.454 nan 8.150 nan 0.000 0.443 52 S N -0.498 115.000 115.700 -0.336 0.000 2.423 52 S HA -0.020 4.450 4.470 -0.000 0.000 0.231 52 S C 1.960 176.386 174.600 -0.290 0.000 1.014 52 S CA 0.915 58.947 58.200 -0.281 0.000 0.965 52 S CB -0.426 62.482 63.200 -0.486 0.000 0.785 52 S HN 0.772 nan 8.310 nan 0.000 0.495 53 G N 1.642 110.249 108.800 -0.323 0.000 2.408 53 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.217 53 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.217 53 G C 1.288 176.154 174.900 -0.056 0.000 1.150 53 G CA 0.300 45.274 45.100 -0.209 0.000 0.776 53 G HN 0.430 nan 8.290 nan 0.000 0.542 54 L N 0.853 122.066 121.223 -0.015 0.000 2.089 54 L HA -0.109 4.231 4.340 -0.000 0.000 0.213 54 L C 2.994 179.934 176.870 0.116 0.000 1.079 54 L CA 1.162 56.041 54.840 0.065 0.000 0.758 54 L CB -0.521 41.578 42.059 0.066 0.000 0.891 54 L HN 0.346 nan 8.230 nan 0.000 0.433 55 G N -1.434 107.426 108.800 0.100 0.000 2.598 55 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.215 55 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.215 55 G C 1.323 176.309 174.900 0.143 0.000 1.131 55 G CA 1.032 46.254 45.100 0.203 0.000 0.785 55 G HN 0.484 nan 8.290 nan 0.000 0.539 56 T N -2.661 111.944 114.554 0.085 0.000 3.084 56 T HA 0.272 4.622 4.350 -0.000 0.000 0.270 56 T C 1.944 176.720 174.700 0.128 0.000 1.008 56 T CA 0.259 62.414 62.100 0.091 0.000 0.900 56 T CB 0.637 69.546 68.868 0.069 0.000 1.084 56 T HN -0.082 nan 8.240 nan 0.000 0.538 57 V N 2.237 122.235 119.914 0.139 0.000 2.231 57 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 57 V C 2.707 178.895 176.094 0.155 0.000 1.054 57 V CA 2.316 64.704 62.300 0.147 0.000 1.015 57 V CB -0.673 31.239 31.823 0.148 0.000 0.638 57 V HN 0.451 nan 8.190 nan 0.000 0.444 58 E N -0.180 120.118 120.200 0.164 0.000 2.077 58 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 58 E C 1.891 178.555 176.600 0.106 0.000 0.989 58 E CA 1.133 57.610 56.400 0.129 0.000 0.800 58 E CB -0.556 29.225 29.700 0.134 0.000 0.746 58 E HN 0.464 nan 8.360 nan 0.000 0.452 59 L N 0.535 121.815 121.223 0.095 0.000 2.083 59 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 59 L C 1.900 178.872 176.870 0.168 0.000 1.083 59 L CA 1.955 56.852 54.840 0.094 0.000 0.752 59 L CB -0.849 41.260 42.059 0.083 0.000 0.899 59 L HN 0.107 nan 8.230 nan 0.000 0.433 60 T N -1.230 113.486 114.554 0.270 0.000 2.737 60 T HA -0.127 4.223 4.350 -0.000 0.000 0.265 60 T C 1.972 176.861 174.700 0.316 0.000 1.038 60 T CA 1.549 63.873 62.100 0.375 0.000 1.144 60 T CB -0.375 68.729 68.868 0.392 0.000 0.866 60 T HN 0.200 nan 8.240 nan 0.000 0.434 61 V N 1.835 121.894 119.914 0.242 0.000 2.295 61 V HA -0.175 3.945 4.120 -0.000 0.000 0.246 61 V C 2.915 179.144 176.094 0.224 0.000 1.049 61 V CA 1.723 64.156 62.300 0.222 0.000 1.024 61 V CB -1.238 30.666 31.823 0.135 0.000 0.648 61 V HN 0.528 nan 8.190 nan 0.000 0.447 62 A N -0.361 122.555 122.820 0.160 0.000 1.908 62 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 62 A C 2.234 179.943 177.584 0.209 0.000 1.181 62 A CA 1.918 54.048 52.037 0.156 0.000 0.627 62 A CB -0.542 18.514 19.000 0.093 0.000 0.818 62 A HN 0.493 nan 8.150 nan 0.000 0.445 63 L N -1.755 119.549 121.223 0.134 0.000 1.994 63 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 63 L C 2.482 179.429 176.870 0.127 0.000 1.071 63 L CA 1.794 56.667 54.840 0.055 0.000 0.745 63 L CB -0.601 41.333 42.059 -0.209 0.000 0.892 63 L HN 0.512 nan 8.230 nan 0.000 0.431 64 H N -2.892 116.340 119.070 0.270 0.000 2.524 64 H HA -0.163 4.393 4.556 0.000 0.000 0.282 64 H C 1.630 177.111 175.328 0.254 0.000 1.016 64 H CA 1.031 57.240 56.048 0.269 0.000 1.270 64 H CB 0.209 30.118 29.762 0.246 0.000 1.394 64 H HN 0.304 nan 8.280 nan 0.000 0.568 65 Y N -0.397 120.043 120.300 0.234 0.000 2.347 65 Y HA -0.060 4.490 4.550 -0.000 0.000 0.294 65 Y C 1.957 177.932 175.900 0.126 0.000 1.117 65 Y CA 0.597 58.793 58.100 0.160 0.000 1.184 65 Y CB 0.186 38.720 38.460 0.122 0.000 1.047 65 Y HN -0.033 nan 8.280 nan 0.000 0.546 66 V N -0.937 119.127 119.914 0.251 0.000 2.426 66 V HA -0.127 3.993 4.120 -0.000 0.000 0.242 66 V C 0.114 176.196 176.094 -0.020 0.000 1.036 66 V CA 0.677 63.035 62.300 0.098 0.000 1.044 66 V CB -0.542 31.361 31.823 0.134 0.000 0.688 66 V HN 0.077 nan 8.190 nan 0.000 0.462 67 Y N 0.544 120.866 120.300 0.037 0.000 2.304 67 Y HA 0.198 4.748 4.550 -0.000 0.000 0.327 67 Y C 1.065 177.012 175.900 0.079 0.000 1.209 67 Y CA -0.257 57.864 58.100 0.036 0.000 1.299 67 Y CB 0.085 38.546 38.460 0.001 0.000 1.249 67 Y HN 0.071 nan 8.280 nan 0.000 0.519 68 N N 1.756 120.579 118.700 0.204 0.000 3.259 68 N HA 0.011 4.751 4.740 -0.000 0.000 0.308 68 N C -0.720 174.948 175.510 0.263 0.000 1.334 68 N CA -0.367 52.801 53.050 0.197 0.000 1.202 68 N CB -0.021 38.577 38.487 0.185 0.000 1.485 68 N HN 0.725 nan 8.380 nan 0.000 0.549 69 T N -1.422 113.309 114.554 0.295 0.000 2.899 69 T HA 0.218 4.568 4.350 -0.000 0.000 0.295 69 T C -1.379 173.428 174.700 0.180 0.000 1.033 69 T CA -1.376 60.889 62.100 0.275 0.000 1.084 69 T CB 1.608 70.778 68.868 0.504 0.000 0.979 69 T HN 0.179 nan 8.240 nan 0.000 0.532 70 P HA 0.072 nan 4.420 nan 0.000 0.245 70 P C 1.115 178.395 177.300 -0.033 0.000 1.212 70 P CA -0.017 62.930 63.100 -0.254 0.000 0.774 70 P CB -0.079 31.186 31.700 -0.725 0.000 0.999 71 F N 1.813 121.724 119.950 -0.064 0.000 2.031 71 F HA -0.076 4.451 4.527 0.000 0.000 0.295 71 F C 0.727 176.526 175.800 -0.002 0.000 1.133 71 F CA 1.029 59.009 58.000 -0.034 0.000 1.188 71 F CB -0.469 38.520 39.000 -0.018 0.000 0.974 71 F HN -0.215 nan 8.300 nan 0.000 0.473 72 D N 1.617 122.032 120.400 0.025 0.000 2.423 72 D HA 0.024 4.664 4.640 -0.000 0.000 0.238 72 D C -0.369 175.891 176.300 -0.066 0.000 1.142 72 D CA 0.326 54.301 54.000 -0.041 0.000 0.884 72 D CB 0.513 41.453 40.800 0.234 0.000 1.199 72 D HN 0.289 nan 8.370 nan 0.000 0.438 73 Q N 1.485 121.212 119.800 -0.122 0.000 2.340 73 Q HA 0.344 4.684 4.340 -0.000 0.000 0.259 73 Q C -0.290 175.602 176.000 -0.179 0.000 0.964 73 Q CA -0.380 55.345 55.803 -0.130 0.000 0.900 73 Q CB 1.999 30.647 28.738 -0.149 0.000 1.228 73 Q HN 0.391 nan 8.270 nan 0.000 0.449 74 L N 4.746 125.868 121.223 -0.168 0.000 2.296 74 L HA 0.566 4.906 4.340 -0.000 0.000 0.286 74 L C -1.005 175.680 176.870 -0.308 0.000 1.023 74 L CA -0.686 53.957 54.840 -0.329 0.000 0.812 74 L CB 0.944 42.820 42.059 -0.306 0.000 1.223 74 L HN 0.588 nan 8.230 nan 0.000 0.421 75 I N 3.529 123.839 120.570 -0.433 0.000 2.465 75 I HA 0.281 4.451 4.170 -0.000 0.000 0.291 75 I C -1.291 174.568 176.117 -0.430 0.000 1.014 75 I CA -0.403 60.715 61.300 -0.303 0.000 1.093 75 I CB 1.811 39.694 38.000 -0.195 0.000 1.267 75 I HN 0.548 nan 8.210 nan 0.000 0.431 76 W N 4.665 125.873 121.300 -0.154 0.000 2.478 76 W HA 0.343 5.003 4.660 -0.000 0.000 0.318 76 W C 0.132 176.604 176.519 -0.078 0.000 1.062 76 W CA -0.373 56.890 57.345 -0.136 0.000 1.210 76 W CB 0.924 30.299 29.460 -0.142 0.000 1.325 76 W HN 0.339 nan 8.180 nan 0.000 0.496 77 D N 1.704 122.190 120.400 0.144 0.000 2.308 77 D HA 0.212 4.852 4.640 -0.000 0.000 0.251 77 D C 0.947 177.325 176.300 0.130 0.000 1.127 77 D CA 0.442 54.493 54.000 0.085 0.000 0.876 77 D CB 1.533 42.347 40.800 0.025 0.000 1.176 77 D HN 0.443 nan 8.370 nan 0.000 0.446 78 V N 3.733 123.692 119.914 0.075 0.000 0.516 78 V HA -0.423 3.697 4.120 -0.000 0.000 0.092 78 V C 1.665 177.780 176.094 0.035 0.000 2.243 78 V CA 1.997 64.309 62.300 0.020 0.000 3.573 78 V CB -2.003 29.872 31.823 0.086 0.000 0.862 78 V HN 0.921 nan 8.190 nan 0.000 0.902 79 G N -0.254 108.652 108.800 0.177 0.000 2.176 79 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.253 79 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.253 79 G C 0.418 175.437 174.900 0.199 0.000 0.979 79 G CA 1.046 46.260 45.100 0.191 0.000 0.641 79 G HN 1.929 nan 8.290 nan 0.000 0.530 80 H N 0.790 119.845 119.070 -0.025 0.000 2.561 80 H HA 0.056 4.612 4.556 0.000 0.000 0.278 80 H C 1.774 176.878 175.328 -0.374 0.000 1.014 80 H CA 1.459 57.335 56.048 -0.287 0.000 1.211 80 H CB 0.043 29.278 29.762 -0.878 0.000 1.365 80 H HN 0.621 nan 8.280 nan 0.000 0.594 81 Q N 0.525 119.837 119.800 -0.813 0.000 2.188 81 Q HA 0.350 4.690 4.340 -0.000 0.000 0.212 81 Q C 0.572 176.222 176.000 -0.582 0.000 0.846 81 Q CA 0.306 55.692 55.803 -0.694 0.000 0.989 81 Q CB 0.093 28.449 28.738 -0.637 0.000 1.114 81 Q HN 0.413 nan 8.270 nan 0.000 0.488 82 A N -0.019 122.528 122.820 -0.456 0.000 2.460 82 A HA 0.226 4.546 4.320 -0.000 0.000 0.258 82 A C 0.458 178.002 177.584 -0.066 0.000 1.300 82 A CA -0.409 51.285 52.037 -0.572 0.000 0.913 82 A CB -0.298 18.326 19.000 -0.627 0.000 1.031 82 A HN 0.179 nan 8.150 nan 0.000 0.512 83 Y N 1.359 121.546 120.300 -0.189 0.000 2.145 83 Y HA -0.104 4.446 4.550 -0.000 0.000 0.286 83 Y C -0.210 175.656 175.900 -0.055 0.000 1.145 83 Y CA 1.757 59.814 58.100 -0.072 0.000 1.148 83 Y CB -1.466 36.986 38.460 -0.014 0.000 0.981 83 Y HN 0.343 nan 8.280 nan 0.000 0.507 84 P HA -0.188 nan 4.420 nan 0.000 0.218 84 P C 1.208 178.545 177.300 0.062 0.000 1.149 84 P CA 2.123 65.273 63.100 0.084 0.000 0.817 84 P CB -0.138 31.611 31.700 0.082 0.000 0.785 85 H N 1.302 120.328 119.070 -0.073 0.000 2.321 85 H HA -0.064 4.492 4.556 0.000 0.000 0.300 85 H C 1.947 177.259 175.328 -0.026 0.000 1.087 85 H CA 2.033 58.095 56.048 0.023 0.000 1.319 85 H CB -0.308 29.362 29.762 -0.153 0.000 1.379 85 H HN -0.040 nan 8.280 nan 0.000 0.501 86 K N -0.091 120.227 120.400 -0.137 0.000 2.097 86 K HA -0.073 4.247 4.320 -0.000 0.000 0.205 86 K C 2.341 178.812 176.600 -0.216 0.000 1.050 86 K CA 1.468 57.631 56.287 -0.206 0.000 0.938 86 K CB -0.008 32.433 32.500 -0.098 0.000 0.718 86 K HN 0.367 nan 8.250 nan 0.000 0.442 87 I N 1.145 121.637 120.570 -0.129 0.000 2.226 87 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 87 I C 1.966 177.959 176.117 -0.206 0.000 1.100 87 I CA 1.216 62.447 61.300 -0.114 0.000 1.374 87 I CB -0.128 37.876 38.000 0.007 0.000 1.057 87 I HN 0.102 nan 8.210 nan 0.000 0.413 88 L N 0.236 121.329 121.223 -0.217 0.000 2.599 88 L HA -0.004 4.336 4.340 -0.000 0.000 0.230 88 L C 0.960 177.547 176.870 -0.471 0.000 1.141 88 L CA 0.518 55.197 54.840 -0.268 0.000 0.877 88 L CB -0.417 41.550 42.059 -0.154 0.000 1.009 88 L HN 0.353 nan 8.230 nan 0.000 0.447 89 T N -3.598 110.610 114.554 -0.577 0.000 3.438 89 T HA 0.459 4.809 4.350 -0.000 0.000 0.244 89 T C 0.990 175.338 174.700 -0.587 0.000 1.269 89 T CA 0.011 61.596 62.100 -0.858 0.000 1.371 89 T CB 0.651 68.835 68.868 -1.140 0.000 1.002 89 T HN 0.289 nan 8.240 nan 0.000 0.637 90 G N 2.160 110.718 108.800 -0.403 0.000 2.153 90 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.252 90 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.252 90 G C 0.550 175.333 174.900 -0.196 0.000 0.994 90 G CA 0.174 45.120 45.100 -0.256 0.000 0.698 90 G HN 0.658 nan 8.290 nan 0.000 0.521 91 R N -0.913 119.462 120.500 -0.209 0.000 2.616 91 R HA 0.303 4.643 4.340 -0.000 0.000 0.427 91 R C 1.968 178.185 176.300 -0.138 0.000 1.030 91 R CA -0.016 55.993 56.100 -0.151 0.000 1.133 91 R CB 0.202 30.423 30.300 -0.132 0.000 1.444 91 R HN 0.316 nan 8.270 nan 0.000 0.578 92 R N 1.268 121.656 120.500 -0.187 0.000 2.083 92 R HA -0.145 4.195 4.340 -0.000 0.000 0.237 92 R C 0.251 176.509 176.300 -0.069 0.000 1.137 92 R CA 2.000 57.991 56.100 -0.182 0.000 0.951 92 R CB 0.120 30.157 30.300 -0.438 0.000 0.851 92 R HN 0.095 nan 8.270 nan 0.000 0.434 93 D N -0.255 120.062 120.400 -0.138 0.000 2.349 93 D HA -0.005 4.635 4.640 -0.000 0.000 0.224 93 D C 0.809 177.094 176.300 -0.025 0.000 1.029 93 D CA 0.688 54.656 54.000 -0.053 0.000 0.879 93 D CB 0.391 41.132 40.800 -0.099 0.000 0.906 93 D HN 0.297 nan 8.370 nan 0.000 0.528 94 K N -0.257 120.114 120.400 -0.048 0.000 2.373 94 K HA 0.124 4.444 4.320 -0.000 0.000 0.200 94 K C 1.501 178.055 176.600 -0.077 0.000 1.054 94 K CA -0.285 55.968 56.287 -0.058 0.000 1.065 94 K CB 0.725 33.184 32.500 -0.067 0.000 0.886 94 K HN -0.101 nan 8.250 nan 0.000 0.546 95 I N 1.481 122.008 120.570 -0.071 0.000 2.315 95 I HA -0.186 3.984 4.170 -0.000 0.000 0.251 95 I C 1.839 177.871 176.117 -0.142 0.000 1.125 95 I CA 1.485 62.711 61.300 -0.123 0.000 1.392 95 I CB -0.432 37.527 38.000 -0.067 0.000 1.065 95 I HN 0.187 nan 8.210 nan 0.000 0.424 96 G N -1.424 107.317 108.800 -0.099 0.000 2.498 96 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 96 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 96 G C 1.479 176.322 174.900 -0.095 0.000 1.119 96 G CA 1.167 46.209 45.100 -0.097 0.000 0.766 96 G HN 0.512 nan 8.290 nan 0.000 0.552 97 T N -1.876 112.616 114.554 -0.102 0.000 3.086 97 T HA 0.315 4.665 4.350 -0.000 0.000 0.250 97 T C 1.077 175.696 174.700 -0.135 0.000 1.074 97 T CA -0.578 61.461 62.100 -0.102 0.000 0.988 97 T CB 0.008 68.822 68.868 -0.090 0.000 0.988 97 T HN 0.148 nan 8.240 nan 0.000 0.530 98 I N 2.400 122.864 120.570 -0.176 0.000 2.775 98 I HA 0.085 4.255 4.170 -0.000 0.000 0.290 98 I C 0.843 176.855 176.117 -0.176 0.000 1.203 98 I CA 0.104 61.267 61.300 -0.228 0.000 1.433 98 I CB 0.205 37.963 38.000 -0.403 0.000 1.354 98 I HN 0.312 nan 8.210 nan 0.000 0.579 99 R N 2.412 122.796 120.500 -0.193 0.000 3.405 99 R HA -0.180 4.160 4.340 -0.000 0.000 0.458 99 R C -0.144 176.068 176.300 -0.147 0.000 0.589 99 R CA 0.964 56.965 56.100 -0.166 0.000 1.480 99 R CB -1.591 28.652 30.300 -0.095 0.000 2.107 99 R HN 0.761 nan 8.270 nan 0.000 0.379 100 Q N 1.571 121.289 119.800 -0.138 0.000 2.256 100 Q HA 0.360 4.700 4.340 -0.000 0.000 0.232 100 Q C 0.184 176.103 176.000 -0.134 0.000 0.965 100 Q CA -0.571 55.164 55.803 -0.114 0.000 0.908 100 Q CB 1.200 29.883 28.738 -0.092 0.000 1.209 100 Q HN 0.017 nan 8.270 nan 0.000 0.489 101 K N 0.172 120.508 120.400 -0.107 0.000 2.447 101 K HA 0.092 4.412 4.320 -0.000 0.000 0.281 101 K C 0.522 177.057 176.600 -0.108 0.000 1.031 101 K CA 1.044 57.266 56.287 -0.109 0.000 1.019 101 K CB -0.193 32.263 32.500 -0.074 0.000 0.918 101 K HN 0.821 nan 8.250 nan 0.000 0.476 102 G N 2.548 111.269 108.800 -0.132 0.000 2.179 102 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.260 102 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.260 102 G C 0.375 175.204 174.900 -0.118 0.000 0.977 102 G CA 0.074 45.107 45.100 -0.112 0.000 0.641 102 G HN 0.945 nan 8.290 nan 0.000 0.533 103 G N -0.823 107.888 108.800 -0.148 0.000 2.568 103 G HA2 0.669 4.629 3.960 -0.000 0.000 0.293 103 G HA3 0.669 4.629 3.960 -0.000 0.000 0.293 103 G C 0.435 175.232 174.900 -0.171 0.000 1.347 103 G CA -0.865 44.151 45.100 -0.140 0.000 1.039 103 G HN 0.664 nan 8.290 nan 0.000 0.523 104 L N 0.542 121.678 121.223 -0.145 0.000 2.483 104 L HA 0.098 4.438 4.340 -0.000 0.000 0.276 104 L C 0.875 177.638 176.870 -0.178 0.000 1.213 104 L CA -0.366 54.403 54.840 -0.117 0.000 0.843 104 L CB 0.214 42.201 42.059 -0.119 0.000 1.107 104 L HN 0.472 nan 8.230 nan 0.000 0.487 105 H N 3.808 122.761 119.070 -0.195 0.000 2.852 105 H HA 0.004 4.560 4.556 -0.000 0.000 0.362 105 H C -1.369 173.808 175.328 -0.252 0.000 1.122 105 H CA -0.881 55.020 56.048 -0.245 0.000 1.419 105 H CB 1.092 30.732 29.762 -0.203 0.000 1.401 105 H HN 0.428 nan 8.280 nan 0.000 0.609 106 P HA -0.118 nan 4.420 nan 0.000 0.220 106 P C -0.323 176.592 177.300 -0.642 0.000 1.148 106 P CA 1.376 64.114 63.100 -0.604 0.000 0.803 106 P CB 0.363 31.444 31.700 -1.031 0.000 0.782 107 F N -1.690 118.416 119.950 0.259 0.000 2.650 107 F HA 0.544 5.071 4.527 0.000 0.000 0.320 107 F C -2.429 173.531 175.800 0.268 0.000 1.091 107 F CA -3.380 54.770 58.000 0.250 0.000 0.962 107 F CB -0.103 39.054 39.000 0.262 0.000 1.363 107 F HN -0.479 nan 8.300 nan 0.000 0.482 108 P HA -0.118 nan 4.420 nan 0.000 0.263 108 P C -1.191 176.339 177.300 0.383 0.000 1.175 108 P CA 0.366 63.676 63.100 0.349 0.000 0.761 108 P CB 0.365 32.245 31.700 0.299 0.000 0.794 109 W N 5.876 127.206 121.300 0.051 0.000 2.687 109 W HA 0.232 4.892 4.660 -0.000 0.000 0.328 109 W C 0.563 177.044 176.519 -0.062 0.000 1.012 109 W CA -0.747 56.535 57.345 -0.105 0.000 1.262 109 W CB 1.243 30.415 29.460 -0.481 0.000 1.331 109 W HN 0.431 nan 8.180 nan 0.000 0.433 110 R N 1.930 122.228 120.500 -0.337 0.000 2.140 110 R HA -0.195 4.145 4.340 -0.000 0.000 0.250 110 R C 2.087 178.298 176.300 -0.148 0.000 1.150 110 R CA 2.208 58.166 56.100 -0.236 0.000 0.966 110 R CB -0.476 29.637 30.300 -0.312 0.000 0.869 110 R HN 0.576 nan 8.270 nan 0.000 0.445 111 G N 0.152 108.814 108.800 -0.230 0.000 2.650 111 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.214 111 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.214 111 G C 1.152 176.191 174.900 0.232 0.000 1.136 111 G CA 0.070 45.207 45.100 0.061 0.000 0.789 111 G HN 0.394 nan 8.290 nan 0.000 0.536 112 E N -0.523 119.880 120.200 0.339 0.000 2.230 112 E HA 0.103 4.453 4.350 -0.000 0.000 0.192 112 E C 0.555 177.259 176.600 0.173 0.000 0.987 112 E CA 0.484 57.044 56.400 0.266 0.000 0.841 112 E CB 0.199 30.073 29.700 0.291 0.000 0.783 112 E HN 0.261 nan 8.360 nan 0.000 0.481 113 S N -1.050 114.749 115.700 0.166 0.000 2.543 113 S HA 0.029 4.499 4.470 -0.000 0.000 0.274 113 S C 0.047 174.743 174.600 0.160 0.000 1.149 113 S CA -0.397 57.906 58.200 0.171 0.000 0.866 113 S CB 1.340 64.661 63.200 0.201 0.000 1.111 113 S HN 0.310 nan 8.310 nan 0.000 0.457 114 E N 1.792 122.077 120.200 0.143 0.000 2.418 114 E HA -0.091 4.258 4.350 -0.000 0.000 0.197 114 E C 0.226 176.815 176.600 -0.018 0.000 1.026 114 E CA 0.927 57.344 56.400 0.027 0.000 0.862 114 E CB -0.342 29.330 29.700 -0.047 0.000 0.799 114 E HN 0.767 nan 8.360 nan 0.000 0.518 115 Y N 1.330 121.690 120.300 0.101 0.000 2.511 115 Y HA 0.109 4.659 4.550 -0.000 0.000 0.279 115 Y C 0.045 176.121 175.900 0.293 0.000 1.157 115 Y CA 0.116 58.323 58.100 0.178 0.000 1.300 115 Y CB 0.407 38.933 38.460 0.110 0.000 1.052 115 Y HN -0.022 nan 8.280 nan 0.000 0.529 116 D N -0.451 120.149 120.400 0.334 0.000 2.443 116 D HA 0.174 4.814 4.640 -0.000 0.000 0.221 116 D C 0.943 177.316 176.300 0.122 0.000 1.097 116 D CA 0.050 54.219 54.000 0.282 0.000 0.865 116 D CB 1.786 42.738 40.800 0.253 0.000 1.034 116 D HN -0.062 nan 8.370 nan 0.000 0.511 117 V N 2.300 122.270 119.914 0.092 0.000 2.488 117 V HA 0.003 4.123 4.120 -0.000 0.000 0.246 117 V C 1.031 177.105 176.094 -0.032 0.000 1.046 117 V CA 0.800 63.103 62.300 0.004 0.000 1.053 117 V CB -0.002 31.805 31.823 -0.026 0.000 0.679 117 V HN 0.463 nan 8.190 nan 0.000 0.458 118 L N -0.157 121.060 121.223 -0.010 0.000 2.410 118 L HA 0.462 4.802 4.340 -0.000 0.000 0.270 118 L C -0.569 176.288 176.870 -0.022 0.000 0.983 118 L CA -0.226 54.588 54.840 -0.044 0.000 0.822 118 L CB 2.278 44.317 42.059 -0.033 0.000 1.285 118 L HN 0.090 nan 8.230 nan 0.000 0.409 119 S N 3.316 118.950 115.700 -0.110 0.000 2.481 119 S HA 0.429 4.899 4.470 -0.000 0.000 0.276 119 S C -0.140 174.483 174.600 0.039 0.000 1.247 119 S CA -0.557 57.600 58.200 -0.071 0.000 1.053 119 S CB 0.963 63.923 63.200 -0.399 0.000 0.925 119 S HN 0.433 nan 8.310 nan 0.000 0.491 120 V N 0.970 120.986 119.914 0.171 0.000 3.113 120 V HA 1.086 5.206 4.120 -0.000 0.000 0.316 120 V C 0.567 176.740 176.094 0.132 0.000 1.125 120 V CA -0.110 62.266 62.300 0.126 0.000 1.026 120 V CB 1.522 33.408 31.823 0.105 0.000 1.080 120 V HN 0.847 nan 8.190 nan 0.000 0.444 121 G N -0.596 108.198 108.800 -0.010 0.000 4.309 121 G HA2 0.145 4.105 3.960 -0.000 0.000 0.201 121 G HA3 0.145 4.105 3.960 -0.000 0.000 0.201 121 G C 0.110 175.055 174.900 0.075 0.000 1.024 121 G CA -0.204 44.829 45.100 -0.111 0.000 1.007 121 G HN 0.855 nan 8.290 nan 0.000 0.348 122 H N 1.595 120.651 119.070 -0.024 0.000 2.615 122 H HA 0.483 5.039 4.556 -0.000 0.000 0.363 122 H C 0.658 175.945 175.328 -0.068 0.000 1.148 122 H CA 0.204 56.242 56.048 -0.016 0.000 1.401 122 H CB 1.395 31.188 29.762 0.052 0.000 1.461 122 H HN 0.462 nan 8.280 nan 0.000 0.588 123 S N 0.354 116.044 115.700 -0.018 0.000 2.707 123 S HA 0.164 4.634 4.470 -0.000 0.000 0.276 123 S C 0.673 175.264 174.600 -0.015 0.000 1.179 123 S CA -0.206 57.968 58.200 -0.043 0.000 0.992 123 S CB 1.411 64.544 63.200 -0.112 0.000 1.030 123 S HN 0.828 nan 8.310 nan 0.000 0.554 124 S N -1.177 114.515 115.700 -0.014 0.000 3.261 124 S HA -0.210 4.260 4.470 -0.000 0.000 0.287 124 S C 1.089 175.692 174.600 0.006 0.000 1.281 124 S CA 1.351 59.548 58.200 -0.004 0.000 1.053 124 S CB -2.883 60.316 63.200 -0.002 0.000 1.251 124 S HN 1.318 nan 8.310 nan 0.000 0.659 125 T N -0.675 113.884 114.554 0.008 0.000 3.067 125 T HA 0.100 4.450 4.350 -0.000 0.000 0.257 125 T C 1.946 176.639 174.700 -0.012 0.000 1.105 125 T CA 1.058 63.161 62.100 0.005 0.000 1.104 125 T CB -0.275 68.598 68.868 0.008 0.000 0.925 125 T HN 0.775 nan 8.240 nan 0.000 0.498 126 S N 2.731 118.416 115.700 -0.024 0.000 2.353 126 S HA -0.126 4.344 4.470 -0.000 0.000 0.222 126 S C 2.006 176.570 174.600 -0.060 0.000 1.035 126 S CA 1.309 59.477 58.200 -0.053 0.000 1.025 126 S CB -1.078 62.073 63.200 -0.081 0.000 0.902 126 S HN 0.592 nan 8.310 nan 0.000 0.440 127 I N 1.907 122.447 120.570 -0.049 0.000 2.226 127 I HA -0.163 4.007 4.170 -0.000 0.000 0.245 127 I C 2.831 178.951 176.117 0.005 0.000 1.100 127 I CA 1.360 62.644 61.300 -0.027 0.000 1.374 127 I CB -0.817 37.178 38.000 -0.009 0.000 1.057 127 I HN 0.328 nan 8.210 nan 0.000 0.413 128 S N 1.044 116.752 115.700 0.013 0.000 2.351 128 S HA -0.194 4.276 4.470 -0.000 0.000 0.220 128 S C 2.329 176.935 174.600 0.009 0.000 1.035 128 S CA 1.516 59.732 58.200 0.027 0.000 1.031 128 S CB -0.511 62.703 63.200 0.023 0.000 0.928 128 S HN 0.551 nan 8.310 nan 0.000 0.433 129 A N 1.522 124.334 122.820 -0.013 0.000 1.908 129 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 129 A C 2.343 179.904 177.584 -0.038 0.000 1.181 129 A CA 1.886 53.905 52.037 -0.029 0.000 0.627 129 A CB -1.538 17.437 19.000 -0.042 0.000 0.818 129 A HN 0.536 nan 8.150 nan 0.000 0.445 130 G N 0.102 108.875 108.800 -0.046 0.000 2.440 130 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 130 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 130 G C 1.517 176.391 174.900 -0.045 0.000 1.154 130 G CA 1.211 46.274 45.100 -0.061 0.000 0.767 130 G HN 0.506 nan 8.290 nan 0.000 0.552 131 I N 1.203 121.762 120.570 -0.018 0.000 2.286 131 I HA -0.082 4.088 4.170 -0.000 0.000 0.248 131 I C 3.065 179.166 176.117 -0.026 0.000 1.115 131 I CA 0.939 62.224 61.300 -0.024 0.000 1.392 131 I CB -0.439 37.562 38.000 0.002 0.000 1.065 131 I HN 0.256 nan 8.210 nan 0.000 0.418 132 G N 1.104 109.898 108.800 -0.009 0.000 2.422 132 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.218 132 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.218 132 G C 1.699 176.577 174.900 -0.037 0.000 1.146 132 G CA 0.550 45.643 45.100 -0.012 0.000 0.769 132 G HN 0.308 nan 8.290 nan 0.000 0.547 133 I N 1.188 121.727 120.570 -0.051 0.000 2.252 133 I HA -0.105 4.065 4.170 -0.000 0.000 0.245 133 I C 3.231 179.302 176.117 -0.076 0.000 1.102 133 I CA 0.915 62.172 61.300 -0.071 0.000 1.385 133 I CB -0.113 37.836 38.000 -0.086 0.000 1.064 133 I HN 0.235 nan 8.210 nan 0.000 0.414 134 A N 0.192 122.970 122.820 -0.071 0.000 1.969 134 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 134 A C 2.419 179.963 177.584 -0.065 0.000 1.169 134 A CA 1.315 53.309 52.037 -0.071 0.000 0.635 134 A CB -0.795 18.164 19.000 -0.069 0.000 0.810 134 A HN 0.229 nan 8.150 nan 0.000 0.445 135 V N -0.165 119.714 119.914 -0.059 0.000 2.295 135 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 135 V C 3.061 179.129 176.094 -0.043 0.000 1.049 135 V CA 1.944 64.213 62.300 -0.050 0.000 1.024 135 V CB -1.106 30.695 31.823 -0.037 0.000 0.648 135 V HN 0.606 nan 8.190 nan 0.000 0.447 136 A N -0.156 122.637 122.820 -0.045 0.000 1.933 136 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 136 A C 2.403 179.957 177.584 -0.050 0.000 1.175 136 A CA 2.030 54.041 52.037 -0.043 0.000 0.628 136 A CB -0.724 18.247 19.000 -0.048 0.000 0.814 136 A HN 0.573 nan 8.150 nan 0.000 0.444 137 A N -0.522 122.258 122.820 -0.066 0.000 1.933 137 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 137 A C 2.077 179.635 177.584 -0.044 0.000 1.175 137 A CA 1.794 53.786 52.037 -0.074 0.000 0.628 137 A CB -0.423 18.515 19.000 -0.102 0.000 0.814 137 A HN 0.511 nan 8.150 nan 0.000 0.444 138 E N 0.610 120.785 120.200 -0.042 0.000 2.106 138 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 138 E C 1.753 178.340 176.600 -0.022 0.000 0.984 138 E CA 1.427 57.808 56.400 -0.031 0.000 0.806 138 E CB -0.196 29.481 29.700 -0.039 0.000 0.750 138 E HN 0.658 nan 8.360 nan 0.000 0.458 139 K N 0.303 120.689 120.400 -0.023 0.000 2.217 139 K HA -0.081 4.239 4.320 -0.000 0.000 0.202 139 K C 2.169 178.763 176.600 -0.009 0.000 1.051 139 K CA 0.834 57.111 56.287 -0.016 0.000 0.952 139 K CB -0.004 32.485 32.500 -0.017 0.000 0.736 139 K HN 0.168 nan 8.250 nan 0.000 0.453 140 E N 0.425 120.619 120.200 -0.010 0.000 2.106 140 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 140 E C 0.793 177.403 176.600 0.017 0.000 0.984 140 E CA 0.958 57.360 56.400 0.003 0.000 0.806 140 E CB 0.041 29.741 29.700 -0.000 0.000 0.750 140 E HN 0.371 nan 8.360 nan 0.000 0.458 141 G N 1.283 110.092 108.800 0.015 0.000 2.176 141 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.252 141 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.252 141 G C 0.516 175.442 174.900 0.044 0.000 1.024 141 G CA 0.649 45.762 45.100 0.021 0.000 0.755 141 G HN 0.153 nan 8.290 nan 0.000 0.507 142 K N 0.066 120.516 120.400 0.082 0.000 2.414 142 K HA 0.215 4.535 4.320 -0.000 0.000 0.204 142 K C 0.969 177.686 176.600 0.195 0.000 1.026 142 K CA -0.138 56.236 56.287 0.143 0.000 1.108 142 K CB 0.146 32.790 32.500 0.239 0.000 0.855 142 K HN 0.534 nan 8.250 nan 0.000 0.517 143 N N 1.727 120.498 118.700 0.119 0.000 2.776 143 N HA -0.195 4.545 4.740 -0.000 0.000 0.250 143 N C -0.475 175.126 175.510 0.151 0.000 1.112 143 N CA 0.351 53.465 53.050 0.106 0.000 0.733 143 N CB -1.007 37.533 38.487 0.090 0.000 1.097 143 N HN 0.279 nan 8.380 nan 0.000 0.558 144 R N 0.984 121.529 120.500 0.076 0.000 2.489 144 R HA 0.112 4.452 4.340 -0.000 0.000 0.287 144 R C -0.163 176.077 176.300 -0.099 0.000 1.053 144 R CA -0.033 55.959 56.100 -0.180 0.000 1.036 144 R CB 0.391 30.394 30.300 -0.494 0.000 0.966 144 R HN 0.122 nan 8.270 nan 0.000 0.432 145 R N 2.584 123.053 120.500 -0.051 0.000 2.536 145 R HA 0.333 4.673 4.340 -0.000 0.000 0.279 145 R C -0.559 175.756 176.300 0.024 0.000 1.001 145 R CA -0.540 55.585 56.100 0.041 0.000 1.027 145 R CB 1.957 32.340 30.300 0.139 0.000 1.096 145 R HN 0.600 nan 8.270 nan 0.000 0.502 146 T N 0.635 115.203 114.554 0.022 0.000 2.861 146 T HA 0.474 4.824 4.350 -0.000 0.000 0.287 146 T C -0.957 173.674 174.700 -0.115 0.000 1.003 146 T CA -0.675 61.383 62.100 -0.070 0.000 0.977 146 T CB 1.947 70.764 68.868 -0.085 0.000 0.996 146 T HN 0.345 nan 8.240 nan 0.000 0.448 147 V N 2.038 121.788 119.914 -0.273 0.000 2.969 147 V HA 0.668 4.788 4.120 -0.000 0.000 0.304 147 V C -1.570 174.270 176.094 -0.423 0.000 1.192 147 V CA -0.550 61.517 62.300 -0.389 0.000 0.962 147 V CB 1.366 32.746 31.823 -0.738 0.000 1.045 147 V HN 1.141 nan 8.190 nan 0.000 0.428 148 C N 5.038 124.105 119.300 -0.390 0.000 2.563 148 C HA 0.802 5.262 4.460 -0.000 0.000 0.314 148 C C -0.241 174.472 174.990 -0.462 0.000 1.199 148 C CA -0.821 57.959 59.018 -0.397 0.000 1.564 148 C CB 1.452 29.031 27.740 -0.268 0.000 2.173 148 C HN 0.726 nan 8.230 nan 0.000 0.485 149 V N 3.877 123.490 119.914 -0.502 0.000 2.378 149 V HA 0.543 4.663 4.120 -0.000 0.000 0.288 149 V C -0.311 175.647 176.094 -0.227 0.000 1.016 149 V CA -0.192 61.848 62.300 -0.435 0.000 0.840 149 V CB 1.286 32.731 31.823 -0.631 0.000 0.994 149 V HN 0.802 nan 8.190 nan 0.000 0.431 150 I N 3.365 123.808 120.570 -0.213 0.000 2.545 150 I HA 0.814 4.984 4.170 -0.000 0.000 0.292 150 I C 0.662 176.728 176.117 -0.085 0.000 1.040 150 I CA -0.349 60.877 61.300 -0.123 0.000 1.068 150 I CB 1.912 39.820 38.000 -0.152 0.000 1.251 150 I HN 0.695 nan 8.210 nan 0.000 0.424 151 G N 4.231 113.029 108.800 -0.005 0.000 2.539 151 G HA2 0.103 4.063 3.960 -0.000 0.000 0.258 151 G HA3 0.103 4.063 3.960 -0.000 0.000 0.258 151 G C 0.697 175.606 174.900 0.015 0.000 1.202 151 G CA 0.031 45.148 45.100 0.028 0.000 0.851 151 G HN 0.815 nan 8.290 nan 0.000 0.556 152 D N 0.471 120.892 120.400 0.035 0.000 2.178 152 D HA -0.122 4.518 4.640 -0.000 0.000 0.201 152 D C 2.071 178.398 176.300 0.044 0.000 0.980 152 D CA 1.322 55.350 54.000 0.046 0.000 0.842 152 D CB -0.521 40.322 40.800 0.072 0.000 0.948 152 D HN 0.470 nan 8.370 nan 0.000 0.472 153 G N 1.028 109.851 108.800 0.039 0.000 2.394 153 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.214 153 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.214 153 G C 1.884 176.781 174.900 -0.006 0.000 1.176 153 G CA 1.276 46.386 45.100 0.015 0.000 0.786 153 G HN 0.478 nan 8.290 nan 0.000 0.533 154 A N 0.557 123.373 122.820 -0.005 0.000 1.972 154 A HA 0.108 4.428 4.320 -0.000 0.000 0.219 154 A C 2.186 179.768 177.584 -0.004 0.000 1.169 154 A CA 0.984 53.008 52.037 -0.022 0.000 0.635 154 A CB -0.352 18.640 19.000 -0.012 0.000 0.810 154 A HN 0.401 nan 8.150 nan 0.000 0.446 155 I N -0.197 120.383 120.570 0.016 0.000 3.528 155 I HA -0.080 4.090 4.170 -0.000 0.000 0.298 155 I C 1.493 177.651 176.117 0.068 0.000 1.281 155 I CA 0.762 62.092 61.300 0.051 0.000 1.269 155 I CB -0.025 38.022 38.000 0.077 0.000 1.013 155 I HN 0.209 nan 8.210 nan 0.000 0.512 156 T N 0.815 115.386 114.554 0.028 0.000 3.035 156 T HA 0.238 4.588 4.350 -0.000 0.000 0.259 156 T C 0.975 175.676 174.700 0.001 0.000 1.078 156 T CA 0.529 62.634 62.100 0.008 0.000 1.132 156 T CB -0.063 68.796 68.868 -0.015 0.000 0.900 156 T HN 0.428 nan 8.240 nan 0.000 0.480 157 A N 1.119 123.942 122.820 0.006 0.000 2.445 157 A HA 0.590 4.910 4.320 -0.000 0.000 0.242 157 A C 1.136 178.752 177.584 0.054 0.000 1.075 157 A CA -0.145 51.898 52.037 0.011 0.000 0.777 157 A CB -0.215 18.784 19.000 -0.002 0.000 1.013 157 A HN 0.393 nan 8.150 nan 0.000 0.493 161 F N 2.190 122.167 119.950 0.046 0.000 2.113 161 F HA -0.001 4.526 4.527 -0.000 0.000 0.297 161 F C 2.013 177.853 175.800 0.067 0.000 1.103 161 F CA 2.592 60.623 58.000 0.052 0.000 1.248 161 F CB -0.180 38.834 39.000 0.023 0.000 0.999 161 F HN 0.365 nan 8.300 nan 0.000 0.475 162 E N 1.081 121.283 120.200 0.003 0.000 2.058 162 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 162 E C 1.490 178.047 176.600 -0.071 0.000 0.997 162 E CA 0.688 57.023 56.400 -0.108 0.000 0.801 162 E CB -0.598 29.112 29.700 0.016 0.000 0.746 162 E HN 0.448 nan 8.360 nan 0.000 0.450 166 H N 0.319 119.333 119.070 -0.093 0.000 2.321 166 H HA 0.052 4.608 4.556 -0.000 0.000 0.300 166 H C 1.612 176.924 175.328 -0.026 0.000 1.087 166 H CA 1.709 57.725 56.048 -0.054 0.000 1.319 166 H CB 0.165 29.900 29.762 -0.044 0.000 1.379 166 H HN 0.343 nan 8.280 nan 0.000 0.501 167 A N 0.633 123.421 122.820 -0.053 0.000 1.940 167 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 167 A C 2.663 180.138 177.584 -0.182 0.000 1.176 167 A CA 1.567 53.519 52.037 -0.142 0.000 0.631 167 A CB -1.332 17.717 19.000 0.081 0.000 0.814 167 A HN 0.615 nan 8.150 nan 0.000 0.446 168 G N -0.712 108.057 108.800 -0.052 0.000 2.448 168 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.219 168 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.219 168 G C 1.138 175.989 174.900 -0.082 0.000 1.127 168 G CA 1.227 46.286 45.100 -0.068 0.000 0.766 168 G HN 0.513 nan 8.290 nan 0.000 0.552 169 D N 0.534 120.892 120.400 -0.070 0.000 2.202 169 D HA -0.027 4.613 4.640 -0.000 0.000 0.214 169 D C 2.647 178.895 176.300 -0.087 0.000 0.967 169 D CA 0.857 54.828 54.000 -0.049 0.000 0.871 169 D CB -0.171 40.642 40.800 0.022 0.000 1.020 169 D HN 0.538 nan 8.370 nan 0.000 0.474 170 I N -1.646 118.826 120.570 -0.163 0.000 3.251 170 I HA 0.129 4.299 4.170 -0.000 0.000 0.277 170 I C -0.376 175.643 176.117 -0.163 0.000 1.268 170 I CA -0.038 61.165 61.300 -0.162 0.000 1.449 170 I CB 0.030 37.893 38.000 -0.229 0.000 1.083 170 I HN -0.245 nan 8.210 nan 0.000 0.464 171 R N 0.731 121.115 120.500 -0.193 0.000 2.974 171 R HA -0.110 4.230 4.340 -0.000 0.000 0.258 171 R C -2.405 173.790 176.300 -0.175 0.000 0.892 171 R CA 0.157 56.140 56.100 -0.196 0.000 0.664 171 R CB -1.968 28.246 30.300 -0.144 0.000 1.478 171 R HN 0.372 nan 8.270 nan 0.000 0.498 172 P HA 0.276 nan 4.420 nan 0.000 0.282 172 P C 0.018 177.241 177.300 -0.128 0.000 1.259 172 P CA -0.547 62.468 63.100 -0.142 0.000 0.826 172 P CB 0.806 32.424 31.700 -0.137 0.000 1.064 176 V N 6.105 125.915 119.914 -0.173 0.000 2.384 176 V HA 0.563 4.683 4.120 -0.000 0.000 0.287 176 V C 0.067 175.733 176.094 -0.713 0.000 1.020 176 V CA -0.306 61.730 62.300 -0.441 0.000 0.850 176 V CB 1.578 33.062 31.823 -0.564 0.000 0.987 176 V HN 0.604 nan 8.190 nan 0.000 0.436 177 I N 5.514 125.719 120.570 -0.608 0.000 2.330 177 I HA 0.359 4.529 4.170 -0.000 0.000 0.289 177 I C -0.253 175.530 176.117 -0.557 0.000 1.001 177 I CA -0.429 60.539 61.300 -0.553 0.000 1.193 177 I CB 1.630 39.399 38.000 -0.386 0.000 1.345 177 I HN 0.388 nan 8.210 nan 0.000 0.461 178 L N 6.897 127.758 121.223 -0.603 0.000 2.295 178 L HA 0.255 4.595 4.340 -0.000 0.000 0.288 178 L C 0.035 176.807 176.870 -0.163 0.000 1.079 178 L CA -0.194 54.400 54.840 -0.410 0.000 0.830 178 L CB 0.429 42.233 42.059 -0.424 0.000 1.200 178 L HN 0.594 nan 8.230 nan 0.000 0.438 179 N N 3.686 122.321 118.700 -0.110 0.000 2.807 179 N HA 0.019 4.759 4.740 -0.000 0.000 0.259 179 N C -0.634 174.897 175.510 0.035 0.000 1.149 179 N CA -0.263 52.775 53.050 -0.020 0.000 1.042 179 N CB 0.190 38.678 38.487 0.001 0.000 1.367 179 N HN 0.407 nan 8.380 nan 0.000 0.516 180 D N 1.805 122.263 120.400 0.096 0.000 2.365 180 D HA 0.100 4.740 4.640 -0.000 0.000 0.237 180 D C -0.081 176.300 176.300 0.135 0.000 1.190 180 D CA -0.193 53.900 54.000 0.155 0.000 0.867 180 D CB 0.240 41.260 40.800 0.368 0.000 1.050 180 D HN 0.589 nan 8.370 nan 0.000 0.491 181 N N 2.199 120.967 118.700 0.114 0.000 2.351 181 N HA 0.102 4.842 4.740 -0.000 0.000 0.254 181 N C -0.111 175.460 175.510 0.102 0.000 1.241 181 N CA -0.499 52.616 53.050 0.109 0.000 0.883 181 N CB 0.551 39.104 38.487 0.110 0.000 1.202 181 N HN 0.207 nan 8.380 nan 0.000 0.512 240 G N 0.478 108.973 108.800 -0.509 0.000 2.650 240 G HA2 0.018 3.978 3.960 -0.000 0.000 0.214 240 G HA3 0.018 3.978 3.960 -0.000 0.000 0.214 240 G C 1.150 175.619 174.900 -0.719 0.000 1.136 240 G CA 1.719 46.115 45.100 -1.173 0.000 0.789 240 G HN 0.438 nan 8.290 nan 0.000 0.536 241 T N 1.344 115.612 114.554 -0.477 0.000 2.720 241 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 241 T C 2.223 176.725 174.700 -0.329 0.000 1.037 241 T CA 1.251 63.163 62.100 -0.314 0.000 1.144 241 T CB -0.184 68.548 68.868 -0.226 0.000 0.864 241 T HN 0.188 nan 8.240 nan 0.000 0.444 242 L N 0.598 121.520 121.223 -0.502 0.000 2.017 242 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 242 L C 1.916 178.497 176.870 -0.482 0.000 1.073 242 L CA 1.796 56.316 54.840 -0.534 0.000 0.745 242 L CB -0.817 40.777 42.059 -0.776 0.000 0.894 242 L HN 0.157 nan 8.230 nan 0.000 0.432 243 F N 0.104 119.876 119.950 -0.297 0.000 2.234 243 F HA -0.106 4.421 4.527 0.000 0.000 0.299 243 F C 2.491 178.239 175.800 -0.087 0.000 1.087 243 F CA 1.255 59.043 58.000 -0.353 0.000 1.340 243 F CB -0.917 37.556 39.000 -0.879 0.000 1.031 243 F HN 0.209 nan 8.300 nan 0.000 0.500 244 E N -0.031 120.192 120.200 0.038 0.000 2.107 244 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 244 E C 2.159 178.799 176.600 0.067 0.000 0.982 244 E CA 0.800 57.257 56.400 0.095 0.000 0.809 244 E CB -0.086 29.634 29.700 0.032 0.000 0.756 244 E HN 0.301 nan 8.360 nan 0.000 0.459 245 E N 0.719 120.919 120.200 0.001 0.000 2.118 245 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 245 E C 2.126 178.763 176.600 0.060 0.000 0.992 245 E CA 0.781 57.186 56.400 0.010 0.000 0.804 245 E CB -0.114 29.568 29.700 -0.030 0.000 0.741 245 E HN 0.332 nan 8.360 nan 0.000 0.458 246 L N -0.603 120.681 121.223 0.102 0.000 2.456 246 L HA -0.043 4.297 4.340 -0.000 0.000 0.224 246 L C 1.545 178.544 176.870 0.216 0.000 1.148 246 L CA 0.815 55.754 54.840 0.165 0.000 0.825 246 L CB -0.198 41.991 42.059 0.218 0.000 0.937 246 L HN 0.297 nan 8.230 nan 0.000 0.450 247 G N -1.494 107.428 108.800 0.203 0.000 2.192 247 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.193 247 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.193 247 G C 0.002 174.951 174.900 0.083 0.000 0.999 247 G CA -0.718 44.448 45.100 0.111 0.000 0.659 247 G HN 0.080 nan 8.290 nan 0.000 0.503 248 F N 0.968 120.974 119.950 0.093 0.000 2.377 248 F HA 0.617 5.144 4.527 -0.000 0.000 0.328 248 F C 0.630 176.518 175.800 0.147 0.000 1.094 248 F CA -1.178 56.905 58.000 0.138 0.000 1.093 248 F CB 1.228 40.364 39.000 0.226 0.000 1.214 248 F HN 0.052 nan 8.300 nan 0.000 0.518 249 N N 1.913 120.785 118.700 0.287 0.000 2.406 249 N HA 0.068 4.808 4.740 -0.000 0.000 0.251 249 N C -1.465 174.245 175.510 0.334 0.000 1.069 249 N CA -0.186 53.002 53.050 0.230 0.000 0.947 249 N CB 0.093 38.658 38.487 0.131 0.000 1.111 249 N HN 0.469 nan 8.380 nan 0.000 0.497 250 Y N 4.395 124.811 120.300 0.194 0.000 2.320 250 Y HA 0.583 5.133 4.550 0.000 0.000 0.334 250 Y C -1.005 175.000 175.900 0.174 0.000 1.055 250 Y CA -0.678 57.547 58.100 0.208 0.000 1.143 250 Y CB 0.556 39.104 38.460 0.147 0.000 1.193 250 Y HN 0.462 nan 8.280 nan 0.000 0.477 251 I N 5.028 125.376 120.570 -0.369 0.000 2.582 251 I HA 0.783 4.953 4.170 -0.000 0.000 0.292 251 I C 0.077 175.912 176.117 -0.469 0.000 1.066 251 I CA -0.009 61.147 61.300 -0.240 0.000 1.053 251 I CB 1.935 39.885 38.000 -0.083 0.000 1.241 251 I HN 0.852 nan 8.210 nan 0.000 0.421 252 G N 5.987 114.676 108.800 -0.184 0.000 2.343 252 G HA2 0.090 4.050 3.960 -0.000 0.000 0.562 252 G HA3 0.090 4.050 3.960 -0.000 0.000 0.562 252 G C -3.118 171.839 174.900 0.095 0.000 1.269 252 G CA -1.046 43.991 45.100 -0.105 0.000 1.011 252 G HN 0.500 nan 8.290 nan 0.000 0.498 253 P HA 0.560 nan 4.420 nan 0.000 0.271 253 P C -0.479 176.760 177.300 -0.103 0.000 1.218 253 P CA -0.156 62.815 63.100 -0.215 0.000 0.780 253 P CB 1.621 33.091 31.700 -0.383 0.000 0.901 254 V N 1.656 121.515 119.914 -0.092 0.000 2.960 254 V HA 0.184 4.304 4.120 -0.000 0.000 0.315 254 V C -0.013 176.059 176.094 -0.035 0.000 1.087 254 V CA -0.605 61.668 62.300 -0.046 0.000 0.982 254 V CB 1.995 33.795 31.823 -0.038 0.000 1.039 254 V HN 0.562 nan 8.190 nan 0.000 0.437 255 D N 2.214 122.605 120.400 -0.015 0.000 2.382 255 D HA 0.190 4.830 4.640 -0.000 0.000 0.259 255 D C 1.096 177.378 176.300 -0.030 0.000 1.224 255 D CA 0.602 54.602 54.000 -0.000 0.000 0.894 255 D CB 1.521 42.338 40.800 0.028 0.000 1.127 255 D HN 0.666 nan 8.370 nan 0.000 0.487 256 G N 2.983 111.728 108.800 -0.092 0.000 2.920 256 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.208 256 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.208 256 G C 0.791 175.492 174.900 -0.332 0.000 1.159 256 G CA 0.059 45.035 45.100 -0.206 0.000 0.784 256 G HN 0.611 nan 8.290 nan 0.000 0.535 257 H N -0.191 118.899 119.070 0.034 0.000 2.581 257 H HA 0.137 4.693 4.556 -0.000 0.000 0.275 257 H C -0.548 174.798 175.328 0.029 0.000 1.126 257 H CA -0.344 55.726 56.048 0.036 0.000 1.097 257 H CB 1.073 30.858 29.762 0.037 0.000 1.626 257 H HN 0.235 nan 8.280 nan 0.000 0.565 258 D N 1.708 122.161 120.400 0.089 0.000 2.505 258 D HA 0.031 4.671 4.640 -0.000 0.000 0.242 258 D C 1.360 177.682 176.300 0.038 0.000 1.136 258 D CA -0.261 53.775 54.000 0.060 0.000 0.954 258 D CB 0.759 41.584 40.800 0.041 0.000 1.002 258 D HN -0.041 nan 8.370 nan 0.000 0.512 259 V N 4.487 124.426 119.914 0.042 0.000 2.282 259 V HA -0.247 3.873 4.120 -0.000 0.000 0.249 259 V C 2.206 178.297 176.094 -0.004 0.000 1.057 259 V CA 1.744 64.057 62.300 0.021 0.000 1.032 259 V CB -0.274 31.558 31.823 0.015 0.000 0.645 259 V HN 0.599 nan 8.190 nan 0.000 0.447 260 L N 0.020 121.236 121.223 -0.012 0.000 2.083 260 L HA -0.045 4.295 4.340 -0.000 0.000 0.209 260 L C 2.632 179.503 176.870 0.002 0.000 1.083 260 L CA 1.595 56.423 54.840 -0.020 0.000 0.752 260 L CB -1.221 40.827 42.059 -0.018 0.000 0.899 260 L HN 0.514 nan 8.230 nan 0.000 0.433 261 G N -0.017 108.789 108.800 0.010 0.000 2.408 261 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 261 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 261 G C 1.644 176.553 174.900 0.014 0.000 1.150 261 G CA 0.312 45.419 45.100 0.013 0.000 0.776 261 G HN 0.211 nan 8.290 nan 0.000 0.542 262 L N 0.008 121.240 121.223 0.015 0.000 2.109 262 L HA 0.070 4.410 4.340 -0.000 0.000 0.207 262 L C 2.801 179.694 176.870 0.038 0.000 1.086 262 L CA 0.414 55.265 54.840 0.018 0.000 0.760 262 L CB -0.291 41.778 42.059 0.015 0.000 0.910 262 L HN 0.182 nan 8.230 nan 0.000 0.437 263 I N -0.278 120.319 120.570 0.045 0.000 2.127 263 I HA -0.350 3.820 4.170 -0.000 0.000 0.241 263 I C 2.804 178.963 176.117 0.071 0.000 1.075 263 I CA 2.116 63.464 61.300 0.080 0.000 1.334 263 I CB -0.464 37.576 38.000 0.067 0.000 1.040 263 I HN 0.351 nan 8.210 nan 0.000 0.405 264 T N -0.930 113.652 114.554 0.047 0.000 2.833 264 T HA -0.159 4.191 4.350 -0.000 0.000 0.269 264 T C 1.789 176.505 174.700 0.027 0.000 1.054 264 T CA 2.244 64.367 62.100 0.038 0.000 1.135 264 T CB -0.309 68.576 68.868 0.028 0.000 0.869 264 T HN 0.305 nan 8.240 nan 0.000 0.466 265 T N 1.946 116.514 114.554 0.024 0.000 2.770 265 T HA 0.175 4.525 4.350 -0.000 0.000 0.263 265 T C 1.908 176.621 174.700 0.021 0.000 1.039 265 T CA 1.166 63.276 62.100 0.016 0.000 1.142 265 T CB -0.391 68.482 68.868 0.007 0.000 0.868 265 T HN 0.287 nan 8.240 nan 0.000 0.435 266 L N 0.728 121.975 121.223 0.039 0.000 2.083 266 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 266 L C 2.693 179.577 176.870 0.023 0.000 1.083 266 L CA 1.355 56.237 54.840 0.068 0.000 0.752 266 L CB -0.414 41.722 42.059 0.129 0.000 0.899 266 L HN 0.225 nan 8.230 nan 0.000 0.433 267 K N 0.391 120.796 120.400 0.007 0.000 2.057 267 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 267 K C 0.771 177.344 176.600 -0.046 0.000 1.049 267 K CA 0.848 57.111 56.287 -0.040 0.000 0.931 267 K CB 0.027 32.526 32.500 -0.001 0.000 0.714 267 K HN 0.415 nan 8.250 nan 0.000 0.440 271 D N 1.174 121.531 120.400 -0.072 0.000 2.333 271 D HA 0.147 4.787 4.640 -0.000 0.000 0.208 271 D C 0.569 176.851 176.300 -0.029 0.000 0.984 271 D CA 0.409 54.378 54.000 -0.052 0.000 0.873 271 D CB 0.311 41.081 40.800 -0.050 0.000 0.935 271 D HN 0.232 nan 8.370 nan 0.000 0.521 272 L N 1.005 122.217 121.223 -0.019 0.000 2.472 272 L HA 0.105 4.445 4.340 -0.000 0.000 0.260 272 L C 1.036 177.895 176.870 -0.017 0.000 1.209 272 L CA -0.205 54.628 54.840 -0.012 0.000 0.817 272 L CB 0.503 42.561 42.059 -0.000 0.000 1.106 272 L HN -0.271 nan 8.230 nan 0.000 0.479 273 K N 0.963 121.350 120.400 -0.022 0.000 2.090 273 K HA 0.577 4.897 4.320 -0.000 0.000 0.249 273 K C 0.239 176.809 176.600 -0.050 0.000 0.995 273 K CA 0.085 56.351 56.287 -0.034 0.000 0.914 273 K CB 1.173 33.653 32.500 -0.033 0.000 1.057 273 K HN 0.794 nan 8.250 nan 0.000 0.462 274 G N 1.446 110.202 108.800 -0.074 0.000 2.877 274 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.279 274 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.279 274 G C -2.722 172.080 174.900 -0.164 0.000 1.431 274 G CA -1.080 43.947 45.100 -0.122 0.000 0.883 274 G HN 0.362 nan 8.290 nan 0.000 0.547 275 P HA 0.236 nan 4.420 nan 0.000 0.265 275 P C -0.313 176.850 177.300 -0.229 0.000 1.222 275 P CA 0.353 63.126 63.100 -0.544 0.000 0.767 275 P CB 0.807 31.667 31.700 -1.399 0.000 0.801 276 Q N 2.459 122.306 119.800 0.079 0.000 2.274 276 Q HA 0.524 4.864 4.340 -0.000 0.000 0.260 276 Q C -1.158 175.101 176.000 0.432 0.000 0.974 276 Q CA -0.432 55.505 55.803 0.224 0.000 0.876 276 Q CB 1.973 30.770 28.738 0.097 0.000 1.297 276 Q HN 0.365 nan 8.270 nan 0.000 0.446 277 F N 2.774 122.842 119.950 0.197 0.000 2.659 277 F HA 0.350 4.877 4.527 0.000 0.000 0.342 277 F C -1.602 174.094 175.800 -0.173 0.000 1.168 277 F CA -1.047 56.958 58.000 0.009 0.000 1.003 277 F CB 0.933 39.941 39.000 0.012 0.000 1.267 277 F HN 0.364 nan 8.300 nan 0.000 0.463 278 L N 6.800 127.897 121.223 -0.210 0.000 2.272 278 L HA 0.424 4.764 4.340 -0.000 0.000 0.289 278 L C -1.115 175.652 176.870 -0.171 0.000 1.032 278 L CA -0.276 54.462 54.840 -0.170 0.000 0.810 278 L CB 0.805 42.776 42.059 -0.146 0.000 1.205 278 L HN 0.684 nan 8.230 nan 0.000 0.422 279 H N 6.025 124.975 119.070 -0.200 0.000 2.556 279 H HA 0.562 5.118 4.556 -0.000 0.000 0.310 279 H C -0.350 174.944 175.328 -0.057 0.000 1.057 279 H CA -0.851 55.162 56.048 -0.059 0.000 1.264 279 H CB 0.945 30.769 29.762 0.103 0.000 1.404 279 H HN 0.776 nan 8.280 nan 0.000 0.462 283 K N 1.245 121.898 120.400 0.421 0.000 2.322 283 K HA 0.249 4.569 4.320 -0.000 0.000 0.283 283 K C 1.136 177.834 176.600 0.163 0.000 1.042 283 K CA -0.572 55.849 56.287 0.225 0.000 0.958 283 K CB 1.351 33.930 32.500 0.132 0.000 0.984 283 K HN 0.735 nan 8.250 nan 0.000 0.473 284 K N 2.160 122.629 120.400 0.115 0.000 2.228 284 K HA -0.070 4.250 4.320 -0.000 0.000 0.202 284 K C 0.795 177.446 176.600 0.085 0.000 1.051 284 K CA 1.140 57.489 56.287 0.104 0.000 0.960 284 K CB 0.016 32.570 32.500 0.089 0.000 0.743 284 K HN 0.919 nan 8.250 nan 0.000 0.458 285 G N 0.713 109.553 108.800 0.067 0.000 2.598 285 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.244 285 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.244 285 G C -0.070 174.855 174.900 0.042 0.000 1.302 285 G CA 0.028 45.157 45.100 0.049 0.000 0.903 285 G HN 0.224 nan 8.290 nan 0.000 0.575 286 R N 1.714 122.236 120.500 0.037 0.000 2.313 286 R HA 0.353 4.693 4.340 -0.000 0.000 0.199 286 R C 1.605 177.916 176.300 0.018 0.000 0.958 286 R CA 1.549 57.667 56.100 0.030 0.000 1.047 286 R CB -0.941 29.384 30.300 0.041 0.000 0.955 286 R HN 2.326 nan 8.270 nan 0.000 0.481 287 G N 1.069 109.888 108.800 0.032 0.000 2.725 287 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.220 287 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.220 287 G C -0.878 174.059 174.900 0.062 0.000 1.357 287 G CA -0.184 44.922 45.100 0.010 0.000 0.866 287 G HN 0.348 nan 8.290 nan 0.000 0.548 288 Y N -2.667 117.637 120.300 0.006 0.000 2.625 288 Y HA 0.809 5.359 4.550 -0.000 0.000 0.338 288 Y C -0.153 175.781 175.900 0.057 0.000 1.123 288 Y CA -1.354 56.750 58.100 0.007 0.000 1.046 288 Y CB 1.010 39.490 38.460 0.033 0.000 1.299 288 Y HN 0.599 nan 8.280 nan 0.000 0.464 289 E N 3.953 124.264 120.200 0.184 0.000 2.384 289 E HA 0.148 4.498 4.350 -0.000 0.000 0.266 289 E C -2.217 174.517 176.600 0.225 0.000 1.012 289 E CA -1.323 55.157 56.400 0.134 0.000 0.901 289 E CB 0.808 30.585 29.700 0.128 0.000 0.967 289 E HN 0.498 nan 8.360 nan 0.000 0.435 290 P HA 0.092 nan 4.420 nan 0.000 0.274 290 P C -0.547 176.953 177.300 0.334 0.000 1.237 290 P CA -0.293 62.953 63.100 0.244 0.000 0.793 290 P CB 0.688 32.496 31.700 0.179 0.000 0.977 319 P HA 0.487 nan 4.420 nan 0.000 0.284 319 P C -0.299 176.924 177.300 -0.127 0.000 1.258 319 P CA -0.464 62.588 63.100 -0.079 0.000 0.824 319 P CB 1.636 33.291 31.700 -0.075 0.000 1.038 320 S N 1.153 116.818 115.700 -0.058 0.000 2.600 320 S HA 0.096 4.566 4.470 -0.000 0.000 0.265 320 S C 0.960 175.511 174.600 -0.082 0.000 1.325 320 S CA -0.177 58.008 58.200 -0.025 0.000 1.002 320 S CB -0.088 63.159 63.200 0.077 0.000 0.921 320 S HN 0.383 nan 8.310 nan 0.000 0.554 321 Y N 0.703 121.001 120.300 -0.003 0.000 2.352 321 Y HA -0.036 4.514 4.550 -0.000 0.000 0.292 321 Y C 2.913 178.755 175.900 -0.097 0.000 1.136 321 Y CA 1.309 59.333 58.100 -0.128 0.000 1.227 321 Y CB -0.576 37.778 38.460 -0.177 0.000 0.991 321 Y HN 0.646 nan 8.280 nan 0.000 0.545 322 S N -0.139 115.700 115.700 0.232 0.000 2.382 322 S HA -0.204 4.266 4.470 -0.000 0.000 0.228 322 S C 1.998 176.750 174.600 0.254 0.000 1.027 322 S CA 1.353 59.737 58.200 0.307 0.000 0.991 322 S CB -0.166 63.207 63.200 0.287 0.000 0.823 322 S HN 0.399 nan 8.310 nan 0.000 0.469 323 K N 0.673 121.158 120.400 0.141 0.000 2.103 323 K HA 0.026 4.346 4.320 -0.000 0.000 0.204 323 K C 1.870 178.515 176.600 0.075 0.000 1.052 323 K CA 0.669 57.015 56.287 0.098 0.000 0.945 323 K CB -0.070 32.461 32.500 0.051 0.000 0.722 323 K HN 0.183 nan 8.250 nan 0.000 0.443 324 I N 1.237 121.825 120.570 0.029 0.000 2.127 324 I HA -0.282 3.888 4.170 -0.000 0.000 0.241 324 I C 2.241 178.426 176.117 0.114 0.000 1.075 324 I CA 1.275 62.580 61.300 0.009 0.000 1.334 324 I CB -1.124 36.815 38.000 -0.102 0.000 1.040 324 I HN 0.170 nan 8.210 nan 0.000 0.405 325 F N 2.111 122.037 119.950 -0.040 0.000 2.069 325 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 325 F C 2.456 178.363 175.800 0.178 0.000 1.113 325 F CA 1.798 59.836 58.000 0.064 0.000 1.214 325 F CB -1.061 37.976 39.000 0.061 0.000 0.978 325 F HN 0.073 nan 8.300 nan 0.000 0.474 326 G N -0.012 108.783 108.800 -0.009 0.000 2.476 326 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.218 326 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.218 326 G C 1.404 176.262 174.900 -0.070 0.000 1.164 326 G CA 1.200 46.227 45.100 -0.121 0.000 0.768 326 G HN 0.383 nan 8.290 nan 0.000 0.560 327 D N -0.395 120.018 120.400 0.023 0.000 2.104 327 D HA -0.124 4.516 4.640 -0.000 0.000 0.194 327 D C 1.867 178.184 176.300 0.028 0.000 0.994 327 D CA 0.972 54.994 54.000 0.038 0.000 0.830 327 D CB -0.496 40.336 40.800 0.053 0.000 0.959 327 D HN 0.538 nan 8.370 nan 0.000 0.452 328 W N 1.131 122.359 121.300 -0.119 0.000 2.338 328 W HA -0.182 4.478 4.660 -0.000 0.000 0.304 328 W C 1.987 178.378 176.519 -0.213 0.000 1.212 328 W CA 0.891 58.162 57.345 -0.124 0.000 1.264 328 W CB -0.525 28.886 29.460 -0.081 0.000 1.142 328 W HN -0.048 nan 8.180 nan 0.000 0.512 329 L N 0.700 121.687 121.223 -0.393 0.000 1.989 329 L HA -0.256 4.084 4.340 -0.000 0.000 0.211 329 L C 2.585 179.159 176.870 -0.494 0.000 1.071 329 L CA 2.340 56.733 54.840 -0.745 0.000 0.749 329 L CB -1.470 40.039 42.059 -0.917 0.000 0.890 329 L HN 0.141 nan 8.230 nan 0.000 0.431 330 C N -0.143 119.067 119.300 -0.149 0.000 2.429 330 C HA -0.168 4.292 4.460 -0.000 0.000 0.277 330 C C 2.693 177.615 174.990 -0.114 0.000 1.262 330 C CA 1.008 60.058 59.018 0.053 0.000 1.733 330 C CB -1.170 26.689 27.740 0.199 0.000 2.010 330 C HN 0.730 nan 8.230 nan 0.000 0.483 331 E N 0.445 120.541 120.200 -0.173 0.000 2.106 331 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 331 E C 1.654 178.083 176.600 -0.284 0.000 0.984 331 E CA 1.788 58.092 56.400 -0.159 0.000 0.806 331 E CB -0.625 29.012 29.700 -0.106 0.000 0.750 331 E HN 0.508 nan 8.360 nan 0.000 0.458 332 T N 0.977 115.197 114.554 -0.557 0.000 2.812 332 T HA -0.000 4.350 4.350 -0.000 0.000 0.264 332 T C 2.005 176.409 174.700 -0.494 0.000 1.042 332 T CA 1.270 62.987 62.100 -0.638 0.000 1.140 332 T CB -0.239 67.868 68.868 -1.268 0.000 0.870 332 T HN 0.399 nan 8.240 nan 0.000 0.445 333 A N 1.200 123.666 122.820 -0.589 0.000 2.019 333 A HA 0.206 4.526 4.320 -0.000 0.000 0.219 333 A C 2.453 179.735 177.584 -0.503 0.000 1.164 333 A CA 1.601 53.243 52.037 -0.657 0.000 0.644 333 A CB -0.718 17.564 19.000 -1.196 0.000 0.805 333 A HN 0.499 nan 8.150 nan 0.000 0.449 334 A N -0.640 122.007 122.820 -0.288 0.000 2.123 334 A HA 0.061 4.381 4.320 -0.000 0.000 0.214 334 A C 1.989 179.577 177.584 0.007 0.000 1.152 334 A CA 1.232 53.283 52.037 0.023 0.000 0.728 334 A CB -0.153 18.924 19.000 0.129 0.000 0.814 334 A HN 0.523 nan 8.150 nan 0.000 0.464 335 K N -0.063 120.308 120.400 -0.048 0.000 2.166 335 K HA 0.012 4.332 4.320 -0.000 0.000 0.201 335 K C -0.306 176.313 176.600 0.032 0.000 1.052 335 K CA 1.034 57.324 56.287 0.005 0.000 0.969 335 K CB 0.216 32.726 32.500 0.015 0.000 0.761 335 K HN 0.691 nan 8.250 nan 0.000 0.459 336 D N -0.311 120.098 120.400 0.014 0.000 2.947 336 D HA -0.038 4.602 4.640 -0.000 0.000 0.224 336 D C -0.283 176.054 176.300 0.062 0.000 1.230 336 D CA -0.608 53.428 54.000 0.059 0.000 0.871 336 D CB 0.787 41.655 40.800 0.114 0.000 1.671 336 D HN -0.071 nan 8.370 nan 0.000 0.507 337 N N 1.777 120.531 118.700 0.089 0.000 2.609 337 N HA -0.131 4.609 4.740 -0.000 0.000 0.190 337 N C 0.390 176.032 175.510 0.220 0.000 1.157 337 N CA 0.294 53.427 53.050 0.139 0.000 0.918 337 N CB -0.021 38.553 38.487 0.144 0.000 0.978 337 N HN 0.442 nan 8.380 nan 0.000 0.448 338 K N -0.242 120.264 120.400 0.176 0.000 2.379 338 K HA 0.130 4.450 4.320 -0.000 0.000 0.194 338 K C 0.845 177.639 176.600 0.324 0.000 1.031 338 K CA -0.428 55.990 56.287 0.218 0.000 1.037 338 K CB 0.336 32.826 32.500 -0.017 0.000 0.824 338 K HN 0.124 nan 8.250 nan 0.000 0.516 342 I N 0.983 121.704 120.570 0.252 0.000 2.608 342 I HA 0.779 4.949 4.170 -0.000 0.000 0.295 342 I C 0.096 176.313 176.117 0.168 0.000 1.049 342 I CA -0.622 60.797 61.300 0.198 0.000 1.063 342 I CB 2.578 40.688 38.000 0.184 0.000 1.248 342 I HN 0.652 nan 8.210 nan 0.000 0.424 343 T N 5.061 119.674 114.554 0.099 0.000 2.912 343 T HA 0.557 4.907 4.350 -0.000 0.000 0.299 343 T C -2.851 171.880 174.700 0.052 0.000 1.052 343 T CA -1.849 60.327 62.100 0.127 0.000 0.996 343 T CB 2.111 71.108 68.868 0.215 0.000 1.070 343 T HN 0.211 nan 8.240 nan 0.000 0.465 344 P HA 0.564 nan 4.420 nan 0.000 0.219 344 P C -0.256 177.000 177.300 -0.073 0.000 1.847 344 P CA 0.126 63.211 63.100 -0.025 0.000 1.110 344 P CB 0.041 31.720 31.700 -0.036 0.000 1.839 348 E N 0.182 120.478 120.200 0.160 0.000 2.047 348 E HA -0.042 4.308 4.350 -0.000 0.000 0.191 348 E C 1.583 178.307 176.600 0.207 0.000 0.987 348 E CA 1.604 58.092 56.400 0.146 0.000 0.799 348 E CB -0.271 29.482 29.700 0.087 0.000 0.752 348 E HN 0.470 nan 8.360 nan 0.000 0.449 349 G N 0.075 109.021 108.800 0.242 0.000 2.476 349 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 349 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 349 G C 1.595 176.756 174.900 0.436 0.000 1.164 349 G CA 0.997 46.319 45.100 0.370 0.000 0.768 349 G HN 0.265 nan 8.290 nan 0.000 0.560 350 S N 0.567 116.535 115.700 0.447 0.000 2.650 350 S HA 0.405 4.875 4.470 -0.000 0.000 0.219 350 S C 1.279 176.171 174.600 0.486 0.000 0.960 350 S CA 0.517 59.012 58.200 0.490 0.000 0.925 350 S CB -0.513 62.984 63.200 0.495 0.000 0.775 350 S HN 1.193 nan 8.310 nan 0.000 0.525 354 E N 0.391 120.605 120.200 0.024 0.000 2.097 354 E HA -0.278 4.072 4.350 -0.000 0.000 0.196 354 E C 1.997 178.610 176.600 0.023 0.000 1.000 354 E CA 2.310 58.717 56.400 0.011 0.000 0.804 354 E CB -0.118 29.607 29.700 0.041 0.000 0.740 354 E HN 0.541 nan 8.360 nan 0.000 0.454 355 F N 1.629 121.561 119.950 -0.031 0.000 2.102 355 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 355 F C 2.566 178.354 175.800 -0.019 0.000 1.105 355 F CA 2.099 60.122 58.000 0.038 0.000 1.239 355 F CB -0.682 38.316 39.000 -0.002 0.000 0.991 355 F HN 0.119 nan 8.300 nan 0.000 0.474 356 S N 0.263 115.768 115.700 -0.326 0.000 2.419 356 S HA -0.191 4.279 4.470 -0.000 0.000 0.233 356 S C 2.051 176.370 174.600 -0.468 0.000 1.016 356 S CA 1.124 58.895 58.200 -0.714 0.000 0.974 356 S CB -0.669 61.788 63.200 -1.238 0.000 0.786 356 S HN 0.546 nan 8.310 nan 0.000 0.492 357 R N 1.134 121.436 120.500 -0.329 0.000 2.093 357 R HA 0.204 4.544 4.340 -0.000 0.000 0.224 357 R C 2.356 178.462 176.300 -0.323 0.000 1.101 357 R CA 1.120 57.062 56.100 -0.263 0.000 0.979 357 R CB -0.117 30.072 30.300 -0.184 0.000 0.877 357 R HN 0.433 nan 8.270 nan 0.000 0.441 358 K N -0.439 119.717 120.400 -0.407 0.000 2.305 358 K HA 0.046 4.366 4.320 -0.000 0.000 0.199 358 K C -0.085 175.846 176.600 -1.115 0.000 1.047 358 K CA 0.716 56.590 56.287 -0.687 0.000 0.976 358 K CB 0.462 32.551 32.500 -0.685 0.000 0.765 358 K HN 0.064 nan 8.250 nan 0.000 0.474 359 F N 0.075 119.739 119.950 -0.477 0.000 2.566 359 F HA 0.264 4.791 4.527 -0.000 0.000 0.347 359 F C -2.200 173.346 175.800 -0.423 0.000 1.515 359 F CA -2.075 55.643 58.000 -0.471 0.000 1.103 359 F CB 1.365 39.977 39.000 -0.647 0.000 1.385 359 F HN -0.150 nan 8.300 nan 0.000 0.560 360 P HA -0.191 nan 4.420 nan 0.000 0.218 360 P C 1.103 178.334 177.300 -0.114 0.000 1.146 360 P CA 1.509 64.524 63.100 -0.141 0.000 0.813 360 P CB 0.126 31.743 31.700 -0.137 0.000 0.778 361 D N -1.760 118.595 120.400 -0.075 0.000 2.340 361 D HA -0.045 4.595 4.640 -0.000 0.000 0.220 361 D C 1.168 177.479 176.300 0.018 0.000 1.039 361 D CA 0.413 54.385 54.000 -0.047 0.000 0.866 361 D CB -0.206 40.599 40.800 0.008 0.000 0.913 361 D HN 0.140 nan 8.370 nan 0.000 0.523 362 R N -0.723 119.814 120.500 0.063 0.000 2.531 362 R HA 0.117 4.457 4.340 -0.000 0.000 0.316 362 R C -0.574 175.969 176.300 0.405 0.000 0.955 362 R CA -0.482 55.779 56.100 0.268 0.000 1.120 362 R CB -0.156 30.319 30.300 0.291 0.000 1.361 362 R HN 0.207 nan 8.270 nan 0.000 0.534 363 Y N 0.501 120.759 120.300 -0.070 0.000 2.360 363 Y HA 0.540 5.090 4.550 -0.000 0.000 0.337 363 Y C -1.182 174.490 175.900 -0.381 0.000 1.039 363 Y CA -1.506 56.631 58.100 0.062 0.000 1.109 363 Y CB 0.899 39.373 38.460 0.024 0.000 1.201 363 Y HN -0.175 nan 8.280 nan 0.000 0.458 364 F N 4.454 124.067 119.950 -0.562 0.000 2.585 364 F HA 0.265 4.792 4.527 -0.000 0.000 0.319 364 F C -0.942 174.463 175.800 -0.659 0.000 1.165 364 F CA -1.128 56.584 58.000 -0.481 0.000 0.949 364 F CB 1.588 40.505 39.000 -0.138 0.000 1.218 364 F HN 0.393 nan 8.300 nan 0.000 0.453 365 D N 2.784 122.957 120.400 -0.377 0.000 2.453 365 D HA 0.273 4.913 4.640 -0.000 0.000 0.238 365 D C 0.412 176.663 176.300 -0.081 0.000 1.088 365 D CA -0.270 53.613 54.000 -0.195 0.000 0.854 365 D CB 1.825 42.588 40.800 -0.062 0.000 1.076 365 D HN 0.378 nan 8.370 nan 0.000 0.533 366 V N 1.942 121.823 119.914 -0.056 0.000 3.620 366 V HA 0.597 4.717 4.120 -0.000 0.000 0.286 366 V C 1.011 177.097 176.094 -0.014 0.000 1.288 366 V CA 0.492 62.779 62.300 -0.022 0.000 1.178 366 V CB -1.540 30.303 31.823 0.034 0.000 0.986 366 V HN 0.821 nan 8.190 nan 0.000 0.431 367 A N 0.756 123.561 122.820 -0.025 0.000 6.197 367 A HA -0.177 4.143 4.320 -0.000 0.000 0.231 367 A C 0.063 177.617 177.584 -0.050 0.000 2.326 367 A CA 0.526 52.544 52.037 -0.032 0.000 0.698 367 A CB -1.749 17.231 19.000 -0.032 0.000 0.901 367 A HN 0.753 nan 8.150 nan 0.000 0.349 368 I N 0.622 121.150 120.570 -0.070 0.000 2.397 368 I HA 0.350 4.520 4.170 -0.000 0.000 0.291 368 I C 0.933 177.005 176.117 -0.075 0.000 1.125 368 I CA 1.233 62.465 61.300 -0.114 0.000 1.961 368 I CB -0.716 37.200 38.000 -0.139 0.000 1.508 368 I HN 1.066 nan 8.210 nan 0.000 0.886 369 A N 2.747 125.545 122.820 -0.038 0.000 3.258 369 A HA 0.405 4.725 4.320 -0.000 0.000 0.318 369 A C 0.890 178.497 177.584 0.039 0.000 0.990 369 A CA -0.503 51.541 52.037 0.012 0.000 0.885 369 A CB 0.136 19.165 19.000 0.049 0.000 1.090 369 A HN 0.418 nan 8.150 nan 0.000 0.479 370 E N 0.296 120.505 120.200 0.016 0.000 2.130 370 E HA -0.261 4.089 4.350 -0.000 0.000 0.196 370 E C 1.871 178.523 176.600 0.086 0.000 0.998 370 E CA 2.119 58.551 56.400 0.053 0.000 0.806 370 E CB -0.111 29.622 29.700 0.055 0.000 0.738 370 E HN 0.817 nan 8.360 nan 0.000 0.459 371 Q N -0.523 119.328 119.800 0.086 0.000 2.020 371 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 371 Q C 2.292 178.368 176.000 0.127 0.000 0.982 371 Q CA 1.532 57.396 55.803 0.103 0.000 0.838 371 Q CB -0.385 28.407 28.738 0.091 0.000 0.899 371 Q HN 0.550 nan 8.270 nan 0.000 0.423 372 H N 0.173 119.271 119.070 0.046 0.000 2.423 372 H HA -0.030 4.526 4.556 -0.000 0.000 0.297 372 H C 1.880 177.267 175.328 0.098 0.000 1.075 372 H CA 1.018 57.096 56.048 0.050 0.000 1.342 372 H CB 0.265 30.021 29.762 -0.010 0.000 1.395 372 H HN 0.262 nan 8.280 nan 0.000 0.530 373 A N 0.622 123.402 122.820 -0.067 0.000 1.883 373 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 373 A C 2.767 180.362 177.584 0.020 0.000 1.186 373 A CA 1.810 53.816 52.037 -0.052 0.000 0.624 373 A CB -0.935 18.091 19.000 0.043 0.000 0.822 373 A HN 0.307 nan 8.150 nan 0.000 0.444 374 V N -0.459 119.505 119.914 0.083 0.000 2.307 374 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 374 V C 2.671 178.809 176.094 0.074 0.000 1.045 374 V CA 2.377 64.763 62.300 0.142 0.000 1.024 374 V CB -1.199 30.774 31.823 0.249 0.000 0.651 374 V HN 0.602 nan 8.190 nan 0.000 0.449 375 T N 0.143 114.733 114.554 0.060 0.000 2.995 375 T HA -0.114 4.236 4.350 -0.000 0.000 0.269 375 T C 1.621 176.322 174.700 0.000 0.000 1.091 375 T CA 1.293 63.424 62.100 0.052 0.000 1.128 375 T CB -0.338 68.590 68.868 0.101 0.000 0.891 375 T HN 0.453 nan 8.240 nan 0.000 0.492 376 F N 2.393 122.192 119.950 -0.252 0.000 2.186 376 F HA 0.165 4.692 4.527 0.000 0.000 0.299 376 F C 2.331 177.991 175.800 -0.234 0.000 1.090 376 F CA 0.561 58.365 58.000 -0.327 0.000 1.307 376 F CB -0.610 38.004 39.000 -0.645 0.000 1.019 376 F HN 0.139 nan 8.300 nan 0.000 0.489 377 A N 0.495 123.142 122.820 -0.289 0.000 1.930 377 A HA 0.022 4.342 4.320 -0.000 0.000 0.217 377 A C 2.443 179.867 177.584 -0.266 0.000 1.175 377 A CA 1.523 53.361 52.037 -0.332 0.000 0.627 377 A CB -1.487 17.394 19.000 -0.198 0.000 0.815 377 A HN 0.479 nan 8.150 nan 0.000 0.443 378 A N -0.268 122.457 122.820 -0.159 0.000 1.877 378 A HA 0.094 4.414 4.320 -0.000 0.000 0.216 378 A C 2.434 179.935 177.584 -0.137 0.000 1.186 378 A CA 2.001 53.977 52.037 -0.101 0.000 0.620 378 A CB -1.460 17.521 19.000 -0.033 0.000 0.822 378 A HN 0.721 nan 8.150 nan 0.000 0.443 379 G N -0.170 108.522 108.800 -0.181 0.000 2.446 379 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 379 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 379 G C 1.578 176.343 174.900 -0.225 0.000 1.168 379 G CA 1.092 46.086 45.100 -0.177 0.000 0.771 379 G HN 0.430 nan 8.290 nan 0.000 0.551 380 L N 0.675 121.660 121.223 -0.398 0.000 2.012 380 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 380 L C 3.453 180.259 176.870 -0.106 0.000 1.073 380 L CA 1.152 55.798 54.840 -0.323 0.000 0.748 380 L CB -0.455 41.301 42.059 -0.504 0.000 0.891 380 L HN 0.325 nan 8.230 nan 0.000 0.431 381 A N 0.237 122.979 122.820 -0.130 0.000 1.902 381 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 381 A C 2.210 179.759 177.584 -0.059 0.000 1.181 381 A CA 1.618 53.608 52.037 -0.078 0.000 0.623 381 A CB -0.704 18.243 19.000 -0.089 0.000 0.818 381 A HN 0.364 nan 8.150 nan 0.000 0.443 382 I N -0.235 120.297 120.570 -0.064 0.000 2.208 382 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 382 I C 2.402 178.505 176.117 -0.023 0.000 1.097 382 I CA 1.203 62.476 61.300 -0.046 0.000 1.363 382 I CB -0.500 37.473 38.000 -0.045 0.000 1.051 382 I HN 0.417 nan 8.210 nan 0.000 0.413 383 G N -0.307 108.493 108.800 0.000 0.000 2.882 383 G HA2 0.177 4.137 3.960 -0.000 0.000 0.206 383 G HA3 0.177 4.137 3.960 -0.000 0.000 0.206 383 G C 1.287 176.246 174.900 0.097 0.000 1.155 383 G CA 0.543 45.682 45.100 0.065 0.000 0.800 383 G HN 0.618 nan 8.290 nan 0.000 0.524 384 G N -1.795 107.006 108.800 0.001 0.000 2.175 384 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.244 384 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.244 384 G C 0.253 174.986 174.900 -0.279 0.000 0.982 384 G CA 0.298 45.319 45.100 -0.132 0.000 0.641 384 G HN 0.412 nan 8.290 nan 0.000 0.527 385 Y N 0.120 120.374 120.300 -0.077 0.000 2.418 385 Y HA 0.631 5.181 4.550 -0.000 0.000 0.327 385 Y C 1.138 176.988 175.900 -0.084 0.000 1.309 385 Y CA -0.437 57.626 58.100 -0.063 0.000 1.423 385 Y CB 0.764 39.191 38.460 -0.055 0.000 1.423 385 Y HN -0.044 nan 8.280 nan 0.000 0.532 386 K N 3.020 123.478 120.400 0.097 0.000 2.484 386 K HA 0.286 4.606 4.320 -0.000 0.000 0.226 386 K C -2.806 173.865 176.600 0.119 0.000 1.031 386 K CA -1.840 54.456 56.287 0.015 0.000 1.026 386 K CB 0.635 33.051 32.500 -0.141 0.000 1.412 386 K HN 0.284 nan 8.250 nan 0.000 0.492 387 P HA 0.222 nan 4.420 nan 0.000 0.278 387 P C -0.516 176.792 177.300 0.013 0.000 1.238 387 P CA -0.186 62.912 63.100 -0.002 0.000 0.794 387 P CB 1.249 32.866 31.700 -0.137 0.000 0.955 388 I N 2.352 122.958 120.570 0.060 0.000 2.439 388 I HA 0.201 4.371 4.170 -0.000 0.000 0.285 388 I C -0.301 175.855 176.117 0.065 0.000 1.021 388 I CA -1.107 60.248 61.300 0.092 0.000 1.091 388 I CB 2.312 40.468 38.000 0.259 0.000 1.242 388 I HN -0.007 nan 8.210 nan 0.000 0.439 389 V N 5.936 125.805 119.914 -0.074 0.000 2.348 389 V HA 0.454 4.574 4.120 -0.000 0.000 0.270 389 V C 0.575 176.744 176.094 0.125 0.000 1.037 389 V CA -0.484 61.823 62.300 0.012 0.000 0.872 389 V CB 1.282 33.062 31.823 -0.071 0.000 1.002 389 V HN 0.795 nan 8.190 nan 0.000 0.464 390 A N 7.142 130.078 122.820 0.193 0.000 2.279 390 A HA 0.802 5.122 4.320 -0.000 0.000 0.306 390 A C -0.546 177.157 177.584 0.200 0.000 1.300 390 A CA -0.207 51.935 52.037 0.175 0.000 0.925 390 A CB 0.091 19.297 19.000 0.343 0.000 1.152 390 A HN 0.867 nan 8.150 nan 0.000 0.544 391 I N 1.754 122.441 120.570 0.195 0.000 2.752 391 I HA 0.447 4.617 4.170 -0.000 0.000 0.295 391 I C -1.437 174.870 176.117 0.317 0.000 1.219 391 I CA -0.892 60.564 61.300 0.260 0.000 1.030 391 I CB 1.472 39.620 38.000 0.247 0.000 1.259 391 I HN 0.585 nan 8.210 nan 0.000 0.423 392 Y N 4.059 124.427 120.300 0.114 0.000 2.397 392 Y HA 0.094 4.644 4.550 -0.000 0.000 0.335 392 Y C 1.679 177.533 175.900 -0.076 0.000 1.213 392 Y CA -0.072 58.007 58.100 -0.035 0.000 1.391 392 Y CB 1.211 39.591 38.460 -0.133 0.000 1.293 392 Y HN 0.669 nan 8.280 nan 0.000 0.557 393 S N 0.888 116.588 115.700 -0.000 0.000 2.374 393 S HA -0.242 4.228 4.470 -0.000 0.000 0.227 393 S C 2.222 176.876 174.600 0.090 0.000 1.037 393 S CA 2.260 60.471 58.200 0.017 0.000 1.024 393 S CB -0.332 62.814 63.200 -0.090 0.000 0.861 393 S HN 0.916 nan 8.310 nan 0.000 0.456 394 T N -0.059 114.464 114.554 -0.051 0.000 2.777 394 T HA -0.019 4.331 4.350 -0.000 0.000 0.266 394 T C 1.262 175.924 174.700 -0.064 0.000 1.040 394 T CA 1.519 63.590 62.100 -0.048 0.000 1.141 394 T CB -0.442 68.308 68.868 -0.197 0.000 0.868 394 T HN 0.483 nan 8.240 nan 0.000 0.444 395 F N 0.631 120.588 119.950 0.012 0.000 2.512 395 F HA 0.296 4.823 4.527 -0.000 0.000 0.296 395 F C 1.793 177.580 175.800 -0.021 0.000 1.110 395 F CA -0.304 57.598 58.000 -0.163 0.000 1.446 395 F CB -0.977 37.889 39.000 -0.223 0.000 1.092 395 F HN 0.163 nan 8.300 nan 0.000 0.554 396 L N 0.455 121.800 121.223 0.203 0.000 2.353 396 L HA -0.154 4.186 4.340 -0.000 0.000 0.220 396 L C 2.017 178.930 176.870 0.072 0.000 1.133 396 L CA 1.538 56.482 54.840 0.174 0.000 0.798 396 L CB -0.918 41.269 42.059 0.214 0.000 0.922 396 L HN 0.180 nan 8.230 nan 0.000 0.445 397 Q N -0.735 119.080 119.800 0.024 0.000 2.181 397 Q HA -0.223 4.117 4.340 -0.000 0.000 0.205 397 Q C 2.142 178.102 176.000 -0.068 0.000 0.980 397 Q CA 1.587 57.282 55.803 -0.179 0.000 0.862 397 Q CB -0.195 28.528 28.738 -0.024 0.000 0.905 397 Q HN 0.494 nan 8.270 nan 0.000 0.429 398 R N -0.334 120.194 120.500 0.047 0.000 2.299 398 R HA 0.077 4.417 4.340 -0.000 0.000 0.197 398 R C 0.724 177.064 176.300 0.067 0.000 0.971 398 R CA 0.655 56.791 56.100 0.060 0.000 1.030 398 R CB 0.268 30.611 30.300 0.072 0.000 0.932 398 R HN 0.117 nan 8.270 nan 0.000 0.477 399 A N -0.541 122.327 122.820 0.079 0.000 2.574 399 A HA 0.067 4.387 4.320 -0.000 0.000 0.283 399 A C 0.697 178.340 177.584 0.099 0.000 1.270 399 A CA -0.567 51.527 52.037 0.095 0.000 0.945 399 A CB -0.229 18.842 19.000 0.119 0.000 1.127 399 A HN 0.414 nan 8.150 nan 0.000 0.522 400 Y N 1.111 121.363 120.300 -0.080 0.000 2.081 400 Y HA -0.295 4.255 4.550 0.000 0.000 0.280 400 Y C 1.919 177.801 175.900 -0.031 0.000 1.163 400 Y CA 2.433 60.469 58.100 -0.106 0.000 1.135 400 Y CB -0.235 38.116 38.460 -0.182 0.000 0.970 400 Y HN 0.499 nan 8.280 nan 0.000 0.498 401 D N -0.976 119.425 120.400 0.003 0.000 2.178 401 D HA -0.177 4.463 4.640 -0.000 0.000 0.201 401 D C 1.857 178.153 176.300 -0.006 0.000 0.980 401 D CA 1.365 55.334 54.000 -0.051 0.000 0.842 401 D CB -0.010 40.786 40.800 -0.007 0.000 0.948 401 D HN 0.393 nan 8.370 nan 0.000 0.472 402 Q N -0.641 119.179 119.800 0.034 0.000 2.123 402 Q HA 0.017 4.357 4.340 -0.000 0.000 0.199 402 Q C 2.297 178.340 176.000 0.072 0.000 0.966 402 Q CA 0.521 56.373 55.803 0.082 0.000 0.845 402 Q CB -0.125 28.675 28.738 0.104 0.000 0.907 402 Q HN 0.188 nan 8.270 nan 0.000 0.439 403 V N 0.486 120.407 119.914 0.012 0.000 2.295 403 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 403 V C 2.046 178.098 176.094 -0.069 0.000 1.049 403 V CA 1.707 63.987 62.300 -0.033 0.000 1.024 403 V CB -0.524 31.183 31.823 -0.194 0.000 0.648 403 V HN 0.348 nan 8.190 nan 0.000 0.447 404 L N -0.947 120.172 121.223 -0.174 0.000 2.007 404 L HA -0.159 4.181 4.340 -0.000 0.000 0.205 404 L C 2.611 179.453 176.870 -0.047 0.000 1.073 404 L CA 2.052 56.791 54.840 -0.168 0.000 0.744 404 L CB -0.395 41.457 42.059 -0.345 0.000 0.898 404 L HN 0.471 nan 8.230 nan 0.000 0.435 405 H N -0.883 118.128 119.070 -0.097 0.000 2.372 405 H HA -0.113 4.443 4.556 -0.000 0.000 0.301 405 H C 1.565 176.883 175.328 -0.018 0.000 1.065 405 H CA 1.908 57.927 56.048 -0.049 0.000 1.364 405 H CB 0.270 30.008 29.762 -0.041 0.000 1.406 405 H HN 0.339 nan 8.280 nan 0.000 0.521 406 D N -0.804 119.640 120.400 0.074 0.000 2.346 406 D HA 0.003 4.643 4.640 -0.000 0.000 0.206 406 D C 1.509 177.817 176.300 0.012 0.000 1.001 406 D CA 0.562 54.583 54.000 0.035 0.000 0.871 406 D CB 0.967 41.836 40.800 0.115 0.000 0.943 406 D HN 0.298 nan 8.370 nan 0.000 0.518 407 V N 0.580 120.516 119.914 0.037 0.000 2.948 407 V HA 0.143 4.263 4.120 -0.000 0.000 0.234 407 V C 2.286 178.406 176.094 0.043 0.000 1.205 407 V CA 0.862 63.204 62.300 0.069 0.000 1.234 407 V CB -0.206 31.734 31.823 0.194 0.000 1.020 407 V HN 0.056 nan 8.190 nan 0.000 0.491 408 A N 0.682 123.520 122.820 0.029 0.000 1.851 408 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 408 A C 2.104 179.678 177.584 -0.016 0.000 1.195 408 A CA 2.140 54.185 52.037 0.014 0.000 0.622 408 A CB -0.685 18.307 19.000 -0.013 0.000 0.831 408 A HN 0.469 nan 8.150 nan 0.000 0.444 409 I N -0.380 120.155 120.570 -0.057 0.000 2.248 409 I HA -0.311 3.859 4.170 -0.000 0.000 0.248 409 I C 2.260 178.334 176.117 -0.071 0.000 1.107 409 I CA 1.544 62.797 61.300 -0.079 0.000 1.373 409 I CB -0.406 37.501 38.000 -0.155 0.000 1.055 409 I HN 0.477 nan 8.210 nan 0.000 0.418 410 Q N 0.679 120.437 119.800 -0.070 0.000 2.403 410 Q HA 0.017 4.357 4.340 -0.000 0.000 0.203 410 Q C 0.028 176.009 176.000 -0.033 0.000 0.932 410 Q CA -0.042 55.727 55.803 -0.056 0.000 0.945 410 Q CB 0.368 29.069 28.738 -0.062 0.000 1.045 410 Q HN 0.242 nan 8.270 nan 0.000 0.511 411 K N 0.041 120.432 120.400 -0.014 0.000 3.088 411 K HA -0.193 4.127 4.320 -0.000 0.000 0.273 411 K C -0.519 176.077 176.600 -0.007 0.000 1.111 411 K CA 0.646 56.932 56.287 -0.001 0.000 0.803 411 K CB -2.423 30.065 32.500 -0.019 0.000 1.226 411 K HN 0.362 nan 8.250 nan 0.000 0.485 412 L N 2.720 123.943 121.223 0.001 0.000 2.418 412 L HA 0.080 4.420 4.340 -0.000 0.000 0.274 412 L C -1.081 175.796 176.870 0.013 0.000 1.135 412 L CA -1.369 53.465 54.840 -0.010 0.000 0.870 412 L CB 0.185 42.237 42.059 -0.012 0.000 1.154 412 L HN -0.128 nan 8.230 nan 0.000 0.462 413 P HA 0.041 nan 4.420 nan 0.000 0.231 413 P C -0.293 176.999 177.300 -0.014 0.000 1.756 413 P CA 0.041 63.136 63.100 -0.009 0.000 0.990 413 P CB 0.030 31.678 31.700 -0.087 0.000 1.973 414 V N 3.243 123.154 119.914 -0.005 0.000 2.546 414 V HA 0.175 4.295 4.120 -0.000 0.000 0.284 414 V C 0.806 176.804 176.094 -0.160 0.000 1.050 414 V CA -0.695 61.518 62.300 -0.146 0.000 0.981 414 V CB 1.894 33.553 31.823 -0.274 0.000 0.990 414 V HN 0.320 nan 8.190 nan 0.000 0.474 415 L N 5.517 126.635 121.223 -0.175 0.000 2.282 415 L HA 0.555 4.895 4.340 -0.000 0.000 0.288 415 L C -1.284 175.456 176.870 -0.217 0.000 1.033 415 L CA -0.326 54.492 54.840 -0.037 0.000 0.807 415 L CB 0.894 43.045 42.059 0.153 0.000 1.209 415 L HN 0.507 nan 8.230 nan 0.000 0.423 416 F N 4.008 124.008 119.950 0.083 0.000 2.388 416 F HA 0.442 4.969 4.527 -0.000 0.000 0.358 416 F C 0.647 176.436 175.800 -0.018 0.000 1.122 416 F CA -0.529 57.499 58.000 0.047 0.000 1.056 416 F CB 1.626 40.648 39.000 0.037 0.000 1.155 416 F HN 0.502 nan 8.300 nan 0.000 0.461 417 A N 6.033 128.885 122.820 0.053 0.000 2.582 417 A HA 0.587 4.907 4.320 -0.000 0.000 0.336 417 A C -0.221 177.193 177.584 -0.284 0.000 1.445 417 A CA -0.482 51.455 52.037 -0.167 0.000 0.997 417 A CB -0.648 17.997 19.000 -0.592 0.000 1.148 417 A HN 0.756 nan 8.150 nan 0.000 0.514 418 I N 2.671 123.032 120.570 -0.349 0.000 2.294 418 I HA 0.122 4.292 4.170 -0.000 0.000 0.295 418 I C 0.114 175.720 176.117 -0.851 0.000 1.098 418 I CA -0.349 60.713 61.300 -0.397 0.000 1.277 418 I CB 0.434 38.292 38.000 -0.237 0.000 1.434 418 I HN 0.522 nan 8.210 nan 0.000 0.498 419 D N 5.106 125.093 120.400 -0.689 0.000 2.423 419 D HA 0.211 4.851 4.640 -0.000 0.000 0.255 419 D C 0.573 176.488 176.300 -0.641 0.000 1.174 419 D CA -0.287 53.254 54.000 -0.764 0.000 1.008 419 D CB 0.788 41.367 40.800 -0.367 0.000 1.101 419 D HN 0.233 nan 8.370 nan 0.000 0.516 420 R N -0.927 119.229 120.500 -0.574 0.000 3.416 420 R HA -0.153 4.187 4.340 -0.000 0.000 0.263 420 R C -0.729 175.378 176.300 -0.322 0.000 1.053 420 R CA 0.713 56.536 56.100 -0.460 0.000 0.705 420 R CB -2.262 27.637 30.300 -0.668 0.000 1.124 420 R HN 0.383 nan 8.270 nan 0.000 0.444 421 A N -0.027 122.601 122.820 -0.320 0.000 2.354 421 A HA 0.699 5.019 4.320 -0.000 0.000 0.269 421 A C 1.345 178.801 177.584 -0.214 0.000 1.109 421 A CA 0.618 52.493 52.037 -0.269 0.000 0.800 421 A CB 0.625 19.445 19.000 -0.300 0.000 1.045 421 A HN 1.199 nan 8.150 nan 0.000 0.489 422 G N 0.256 108.935 108.800 -0.202 0.000 2.545 422 G HA2 0.167 4.127 3.960 -0.000 0.000 0.216 422 G HA3 0.167 4.127 3.960 -0.000 0.000 0.216 422 G C -0.072 174.741 174.900 -0.146 0.000 1.314 422 G CA 0.006 45.000 45.100 -0.175 0.000 0.906 422 G HN 2.365 nan 8.290 nan 0.000 0.563 423 I N -0.075 120.428 120.570 -0.111 0.000 2.441 423 I HA 0.569 4.739 4.170 -0.000 0.000 0.287 423 I C 1.450 177.538 176.117 -0.048 0.000 1.049 423 I CA 0.384 61.641 61.300 -0.072 0.000 1.381 423 I CB 1.502 39.468 38.000 -0.057 0.000 1.409 423 I HN 1.489 nan 8.210 nan 0.000 0.523 424 V N 4.277 124.181 119.914 -0.018 0.000 3.506 424 V HA 0.662 4.782 4.120 -0.000 0.000 0.263 424 V C 1.125 177.230 176.094 0.017 0.000 1.203 424 V CA 0.799 63.100 62.300 0.002 0.000 1.133 424 V CB -1.339 30.508 31.823 0.041 0.000 0.802 424 V HN 1.582 nan 8.190 nan 0.000 0.459 425 G N 0.491 109.296 108.800 0.010 0.000 2.601 425 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.224 425 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.224 425 G C 1.047 175.937 174.900 -0.017 0.000 1.171 425 G CA 0.394 45.492 45.100 -0.003 0.000 1.009 425 G HN 1.347 nan 8.290 nan 0.000 0.589 426 A N -0.435 122.367 122.820 -0.031 0.000 1.958 426 A HA -0.083 4.237 4.320 -0.000 0.000 0.221 426 A C 1.929 179.454 177.584 -0.098 0.000 1.178 426 A CA 2.832 54.826 52.037 -0.071 0.000 0.642 426 A CB -0.763 18.198 19.000 -0.065 0.000 0.816 426 A HN 0.700 nan 8.150 nan 0.000 0.453 427 D N -0.663 119.711 120.400 -0.044 0.000 2.263 427 D HA 0.170 4.810 4.640 -0.000 0.000 0.208 427 D C 1.471 177.787 176.300 0.026 0.000 0.971 427 D CA 1.305 55.273 54.000 -0.054 0.000 0.867 427 D CB -0.511 40.241 40.800 -0.081 0.000 0.929 427 D HN 0.718 nan 8.370 nan 0.000 0.492 428 G N 0.649 109.470 108.800 0.036 0.000 2.645 428 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.246 428 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.246 428 G C 0.740 175.767 174.900 0.212 0.000 1.322 428 G CA 0.437 45.577 45.100 0.066 0.000 0.898 428 G HN 0.182 nan 8.290 nan 0.000 0.573 429 Q N -0.532 119.397 119.800 0.215 0.000 2.124 429 Q HA -0.215 4.125 4.340 -0.000 0.000 0.215 429 Q C 3.041 179.250 176.000 0.348 0.000 1.015 429 Q CA 4.318 60.315 55.803 0.324 0.000 0.890 429 Q CB -0.846 28.108 28.738 0.360 0.000 0.966 429 Q HN 1.259 nan 8.270 nan 0.000 0.412 430 T N -3.124 111.681 114.554 0.418 0.000 3.051 430 T HA -0.137 4.213 4.350 -0.000 0.000 0.269 430 T C 1.046 175.988 174.700 0.404 0.000 1.127 430 T CA 1.404 63.718 62.100 0.358 0.000 1.107 430 T CB -0.180 68.972 68.868 0.473 0.000 0.898 430 T HN 0.460 nan 8.240 nan 0.000 0.517 431 H N -0.107 119.126 119.070 0.271 0.000 3.058 431 H HA 0.234 4.790 4.556 0.000 0.000 0.266 431 H C 0.167 175.554 175.328 0.097 0.000 1.135 431 H CA -0.656 55.517 56.048 0.209 0.000 1.174 431 H CB 0.520 30.440 29.762 0.263 0.000 1.581 431 H HN 0.369 nan 8.280 nan 0.000 0.553 432 Q N 1.157 121.085 119.800 0.213 0.000 2.330 432 Q HA 0.070 4.410 4.340 -0.000 0.000 0.279 432 Q C 0.872 176.858 176.000 -0.023 0.000 1.024 432 Q CA 0.027 55.869 55.803 0.065 0.000 0.900 432 Q CB 0.942 29.700 28.738 0.033 0.000 1.221 432 Q HN 0.375 nan 8.270 nan 0.000 0.396 433 G N 1.213 109.951 108.800 -0.102 0.000 3.636 433 G HA2 0.334 4.294 3.960 -0.000 0.000 0.260 433 G HA3 0.334 4.294 3.960 -0.000 0.000 0.260 433 G C 0.657 175.408 174.900 -0.247 0.000 1.014 433 G CA 0.088 45.106 45.100 -0.137 0.000 1.797 433 G HN 0.625 nan 8.290 nan 0.000 0.637 434 A N 0.134 122.701 122.820 -0.422 0.000 2.238 434 A HA 0.492 4.812 4.320 -0.000 0.000 0.210 434 A C 1.041 178.048 177.584 -0.962 0.000 1.179 434 A CA 0.269 51.836 52.037 -0.784 0.000 0.827 434 A CB 0.069 18.415 19.000 -1.089 0.000 0.856 434 A HN 0.434 nan 8.150 nan 0.000 0.488 435 F N -0.235 119.690 119.950 -0.042 0.000 2.817 435 F HA 0.099 4.626 4.527 -0.000 0.000 0.333 435 F C 1.670 177.188 175.800 -0.469 0.000 1.085 435 F CA -0.376 57.575 58.000 -0.082 0.000 1.170 435 F CB 0.192 39.281 39.000 0.149 0.000 1.066 435 F HN 0.333 nan 8.300 nan 0.000 0.564 436 D N 1.349 121.423 120.400 -0.543 0.000 2.221 436 D HA -0.186 4.454 4.640 -0.000 0.000 0.204 436 D C 1.686 177.546 176.300 -0.735 0.000 0.982 436 D CA 1.227 54.533 54.000 -1.156 0.000 0.857 436 D CB -0.381 40.092 40.800 -0.544 0.000 0.934 436 D HN 0.329 nan 8.370 nan 0.000 0.475 437 L N 0.319 121.285 121.223 -0.429 0.000 2.551 437 L HA -0.028 4.312 4.340 -0.000 0.000 0.228 437 L C 2.174 178.888 176.870 -0.261 0.000 1.153 437 L CA 0.309 54.960 54.840 -0.315 0.000 0.851 437 L CB -0.037 41.856 42.059 -0.277 0.000 0.959 437 L HN 0.032 nan 8.230 nan 0.000 0.451 438 S N -1.107 114.442 115.700 -0.252 0.000 2.527 438 S HA -0.060 4.410 4.470 -0.000 0.000 0.225 438 S C 1.770 176.340 174.600 -0.050 0.000 1.046 438 S CA 0.223 58.353 58.200 -0.115 0.000 0.929 438 S CB -0.205 62.985 63.200 -0.017 0.000 0.851 438 S HN 0.492 nan 8.310 nan 0.000 0.565 439 Y N 0.841 121.134 120.300 -0.013 0.000 2.333 439 Y HA 0.101 4.651 4.550 -0.000 0.000 0.290 439 Y C 1.834 177.844 175.900 0.183 0.000 1.144 439 Y CA 0.467 58.552 58.100 -0.026 0.000 1.228 439 Y CB -0.354 37.916 38.460 -0.317 0.000 0.985 439 Y HN 0.087 nan 8.280 nan 0.000 0.542 440 L N 0.719 121.984 121.223 0.071 0.000 2.209 440 L HA 0.091 4.431 4.340 -0.000 0.000 0.207 440 L C 2.682 179.573 176.870 0.035 0.000 1.094 440 L CA 1.012 55.909 54.840 0.096 0.000 0.790 440 L CB -0.902 41.087 42.059 -0.117 0.000 0.932 440 L HN 0.215 nan 8.230 nan 0.000 0.447 441 R N -0.693 119.796 120.500 -0.018 0.000 2.120 441 R HA -0.171 4.169 4.340 -0.000 0.000 0.234 441 R C 2.344 178.653 176.300 0.014 0.000 1.123 441 R CA 1.613 57.698 56.100 -0.024 0.000 0.975 441 R CB -0.288 29.971 30.300 -0.068 0.000 0.866 441 R HN 0.627 nan 8.270 nan 0.000 0.446 442 C N -0.577 118.755 119.300 0.054 0.000 2.539 442 C HA 0.314 4.774 4.460 -0.000 0.000 0.271 442 C C 0.990 176.013 174.990 0.054 0.000 1.412 442 C CA -0.981 58.072 59.018 0.058 0.000 1.729 442 C CB -1.119 26.673 27.740 0.087 0.000 1.739 442 C HN 0.183 nan 8.230 nan 0.000 0.570 443 I N 2.961 123.563 120.570 0.052 0.000 2.379 443 I HA 0.269 4.439 4.170 -0.000 0.000 0.290 443 I C -2.155 173.971 176.117 0.015 0.000 1.063 443 I CA -1.564 59.746 61.300 0.018 0.000 1.351 443 I CB 0.536 38.533 38.000 -0.005 0.000 1.410 443 I HN -0.050 nan 8.210 nan 0.000 0.505 444 P HA 0.123 nan 4.420 nan 0.000 0.268 444 P C -0.598 176.719 177.300 0.029 0.000 1.205 444 P CA 0.236 63.347 63.100 0.018 0.000 0.771 444 P CB 0.502 32.208 31.700 0.011 0.000 0.858 451 P HA 0.227 nan 4.420 nan 0.000 0.271 451 P C 0.944 178.215 177.300 -0.048 0.000 1.216 451 P CA -0.252 62.810 63.100 -0.064 0.000 0.776 451 P CB 1.224 32.904 31.700 -0.034 0.000 0.881 452 S N 0.760 116.451 115.700 -0.015 0.000 2.503 452 S HA 0.074 4.544 4.470 -0.000 0.000 0.217 452 S C 0.335 174.973 174.600 0.064 0.000 0.999 452 S CA 0.128 58.328 58.200 -0.001 0.000 0.914 452 S CB -0.444 62.746 63.200 -0.016 0.000 0.782 452 S HN 0.653 nan 8.310 nan 0.000 0.520 453 D N -0.435 120.031 120.400 0.111 0.000 2.692 453 D HA 0.179 4.819 4.640 -0.000 0.000 0.303 453 D C 0.630 177.056 176.300 0.210 0.000 1.278 453 D CA -0.531 53.577 54.000 0.180 0.000 0.852 453 D CB 0.321 41.162 40.800 0.069 0.000 1.375 453 D HN -0.055 nan 8.370 nan 0.000 0.453 454 E N 0.593 120.828 120.200 0.058 0.000 2.204 454 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 454 E C 0.821 177.402 176.600 -0.031 0.000 0.990 454 E CA 1.283 57.644 56.400 -0.066 0.000 0.821 454 E CB -0.309 29.220 29.700 -0.285 0.000 0.750 454 E HN 0.469 nan 8.360 nan 0.000 0.477 455 N N 1.095 119.785 118.700 -0.017 0.000 2.135 455 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 455 N C 1.809 177.311 175.510 -0.013 0.000 1.027 455 N CA 1.388 54.427 53.050 -0.018 0.000 0.849 455 N CB 0.039 38.518 38.487 -0.013 0.000 1.002 455 N HN 0.053 nan 8.380 nan 0.000 0.425 456 E N 0.201 120.402 120.200 0.001 0.000 2.118 456 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 456 E C 2.130 178.711 176.600 -0.031 0.000 0.992 456 E CA 0.758 57.153 56.400 -0.008 0.000 0.804 456 E CB -0.919 28.779 29.700 -0.005 0.000 0.741 456 E HN 0.464 nan 8.360 nan 0.000 0.458 457 C N 0.970 120.263 119.300 -0.012 0.000 2.413 457 C HA -0.154 4.306 4.460 -0.000 0.000 0.277 457 C C 2.789 177.690 174.990 -0.150 0.000 1.228 457 C CA 1.033 60.017 59.018 -0.056 0.000 1.731 457 C CB -0.814 26.934 27.740 0.013 0.000 2.042 457 C HN 0.396 nan 8.230 nan 0.000 0.468 458 R N 0.065 120.486 120.500 -0.132 0.000 2.080 458 R HA -0.089 4.250 4.340 -0.000 0.000 0.236 458 R C 1.474 177.679 176.300 -0.158 0.000 1.137 458 R CA 1.041 57.026 56.100 -0.191 0.000 0.943 458 R CB -0.408 29.860 30.300 -0.053 0.000 0.846 458 R HN 0.645 nan 8.270 nan 0.000 0.431 462 Y N 1.891 122.041 120.300 -0.250 0.000 2.097 462 Y HA -0.268 4.282 4.550 0.000 0.000 0.282 462 Y C 2.418 178.508 175.900 0.317 0.000 1.152 462 Y CA 2.813 61.071 58.100 0.263 0.000 1.136 462 Y CB -0.386 38.249 38.460 0.291 0.000 0.975 462 Y HN 0.082 nan 8.280 nan 0.000 0.498 463 T N -0.257 114.453 114.554 0.260 0.000 2.684 463 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 463 T C 2.032 176.842 174.700 0.182 0.000 1.036 463 T CA 1.603 63.831 62.100 0.212 0.000 1.148 463 T CB -1.164 67.843 68.868 0.232 0.000 0.863 463 T HN 0.599 nan 8.240 nan 0.000 0.436 464 G N -0.067 108.812 108.800 0.133 0.000 2.440 464 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 464 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 464 G C 1.396 176.416 174.900 0.199 0.000 1.154 464 G CA 0.762 45.953 45.100 0.152 0.000 0.767 464 G HN 0.542 nan 8.290 nan 0.000 0.552 465 Y N 0.928 121.250 120.300 0.037 0.000 2.274 465 Y HA -0.080 4.470 4.550 0.000 0.000 0.290 465 Y C 2.361 178.139 175.900 -0.203 0.000 1.145 465 Y CA 1.585 59.664 58.100 -0.034 0.000 1.203 465 Y CB 0.070 38.557 38.460 0.046 0.000 0.984 465 Y HN 0.342 nan 8.280 nan 0.000 0.533 466 H N -2.062 116.997 119.070 -0.017 0.000 2.551 466 H HA 0.034 4.590 4.556 -0.000 0.000 0.271 466 H C -0.586 174.721 175.328 -0.035 0.000 0.984 466 H CA -0.066 55.900 56.048 -0.138 0.000 1.164 466 H CB -0.435 29.216 29.762 -0.184 0.000 1.437 466 H HN 0.241 nan 8.280 nan 0.000 0.550 467 Y N 2.718 123.027 120.300 0.016 0.000 2.504 467 Y HA 0.134 4.684 4.550 0.000 0.000 0.351 467 Y C 0.490 176.383 175.900 -0.012 0.000 0.988 467 Y CA -0.609 57.508 58.100 0.028 0.000 1.239 467 Y CB 0.198 38.699 38.460 0.068 0.000 1.128 467 Y HN -0.050 nan 8.280 nan 0.000 0.525 468 N N 4.260 122.682 118.700 -0.463 0.000 2.203 468 N HA -0.021 4.719 4.740 -0.000 0.000 0.207 468 N C -0.136 175.106 175.510 -0.447 0.000 1.130 468 N CA 0.270 53.094 53.050 -0.376 0.000 0.861 468 N CB 0.443 38.793 38.487 -0.229 0.000 1.005 468 N HN 0.728 nan 8.380 nan 0.000 0.507 469 D N 0.292 120.206 120.400 -0.810 0.000 2.349 469 D HA 0.158 4.798 4.640 -0.000 0.000 0.215 469 D C 1.279 177.445 176.300 -0.222 0.000 1.016 469 D CA 0.516 54.234 54.000 -0.470 0.000 0.870 469 D CB 0.827 41.370 40.800 -0.429 0.000 0.917 469 D HN 0.289 nan 8.370 nan 0.000 0.524 470 G N 0.114 108.819 108.800 -0.160 0.000 2.325 470 G HA2 0.235 4.195 3.960 -0.000 0.000 0.295 470 G HA3 0.235 4.195 3.960 -0.000 0.000 0.295 470 G C -3.054 171.993 174.900 0.245 0.000 1.274 470 G CA -0.909 44.253 45.100 0.103 0.000 0.857 470 G HN -0.239 nan 8.290 nan 0.000 0.499 471 P HA 0.421 nan 4.420 nan 0.000 0.278 471 P C -0.358 177.129 177.300 0.313 0.000 1.238 471 P CA 0.028 63.309 63.100 0.301 0.000 0.794 471 P CB 1.639 33.541 31.700 0.335 0.000 0.955 472 S N 0.794 116.682 115.700 0.313 0.000 2.595 472 S HA 0.878 5.348 4.470 -0.000 0.000 0.281 472 S C -1.109 173.638 174.600 0.245 0.000 1.117 472 S CA -0.905 57.414 58.200 0.199 0.000 0.873 472 S CB 1.846 65.129 63.200 0.138 0.000 1.108 472 S HN 0.667 nan 8.310 nan 0.000 0.477 473 A N 1.077 123.972 122.820 0.125 0.000 2.449 473 A HA 0.799 5.119 4.320 -0.000 0.000 0.302 473 A C -1.325 176.257 177.584 -0.003 0.000 1.048 473 A CA -0.805 51.300 52.037 0.113 0.000 0.708 473 A CB 1.727 20.761 19.000 0.057 0.000 1.274 473 A HN 1.158 nan 8.150 nan 0.000 0.410 474 V N 2.698 122.609 119.914 -0.005 0.000 2.443 474 V HA 0.596 4.716 4.120 -0.000 0.000 0.293 474 V C -0.125 175.928 176.094 -0.070 0.000 1.021 474 V CA -0.567 61.711 62.300 -0.036 0.000 0.848 474 V CB 1.447 33.272 31.823 0.004 0.000 0.998 474 V HN 1.054 nan 8.190 nan 0.000 0.424 475 R N 4.299 124.722 120.500 -0.129 0.000 2.637 475 R HA 0.841 5.181 4.340 -0.000 0.000 0.291 475 R C -1.494 174.672 176.300 -0.223 0.000 0.963 475 R CA -0.699 55.223 56.100 -0.297 0.000 0.901 475 R CB 1.710 31.849 30.300 -0.269 0.000 1.160 475 R HN 0.660 nan 8.270 nan 0.000 0.457 476 Y N -1.050 119.084 120.300 -0.278 0.000 2.562 476 Y HA 0.660 5.210 4.550 -0.000 0.000 0.345 476 Y C -2.882 172.790 175.900 -0.379 0.000 1.045 476 Y CA -3.365 54.482 58.100 -0.422 0.000 1.028 476 Y CB 1.329 39.487 38.460 -0.504 0.000 1.297 476 Y HN 0.492 nan 8.280 nan 0.000 0.463 477 P HA 0.164 nan 4.420 nan 0.000 0.274 477 P C -0.928 176.345 177.300 -0.045 0.000 1.256 477 P CA -0.525 62.466 63.100 -0.182 0.000 0.795 477 P CB 1.423 33.025 31.700 -0.163 0.000 1.038 478 R N 0.302 120.775 120.500 -0.044 0.000 2.298 478 R HA 0.541 4.881 4.340 -0.000 0.000 0.310 478 R C 0.084 176.436 176.300 0.086 0.000 1.068 478 R CA 0.351 56.461 56.100 0.016 0.000 0.957 478 R CB -0.450 29.830 30.300 -0.032 0.000 1.003 478 R HN 0.873 nan 8.270 nan 0.000 0.454 479 G N 2.362 111.257 108.800 0.157 0.000 2.361 479 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.331 479 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.331 479 G C -1.520 173.494 174.900 0.191 0.000 1.324 479 G CA -1.010 44.182 45.100 0.154 0.000 0.984 479 G HN 0.690 nan 8.290 nan 0.000 0.586 480 N N 0.042 118.804 118.700 0.103 0.000 2.483 480 N HA 0.570 5.310 4.740 -0.000 0.000 0.269 480 N C 0.802 176.275 175.510 -0.062 0.000 1.209 480 N CA -0.063 52.986 53.050 -0.000 0.000 0.969 480 N CB 1.314 39.796 38.487 -0.008 0.000 1.173 480 N HN 0.951 nan 8.380 nan 0.000 0.475 481 A N 0.558 123.197 122.820 -0.302 0.000 2.267 481 A HA 0.183 4.503 4.320 -0.000 0.000 0.271 481 A C 1.180 178.692 177.584 -0.120 0.000 1.131 481 A CA -0.456 51.333 52.037 -0.415 0.000 0.818 481 A CB 0.176 18.874 19.000 -0.504 0.000 1.118 481 A HN 0.494 nan 8.150 nan 0.000 0.501 482 V N -0.237 119.638 119.914 -0.067 0.000 3.052 482 V HA 0.286 4.406 4.120 -0.000 0.000 0.254 482 V C 1.621 177.695 176.094 -0.034 0.000 1.100 482 V CA 1.407 63.696 62.300 -0.017 0.000 1.112 482 V CB -0.684 31.147 31.823 0.013 0.000 0.738 482 V HN 1.905 nan 8.190 nan 0.000 0.469 483 G N 0.324 109.089 108.800 -0.058 0.000 2.141 483 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.195 483 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.195 483 G C 0.011 174.889 174.900 -0.036 0.000 1.012 483 G CA 0.022 45.093 45.100 -0.048 0.000 0.696 483 G HN 0.309 nan 8.290 nan 0.000 0.508 484 V N -0.367 119.525 119.914 -0.037 0.000 3.264 484 V HA 0.530 4.650 4.120 -0.000 0.000 0.304 484 V C 0.973 177.051 176.094 -0.027 0.000 1.086 484 V CA -0.359 61.927 62.300 -0.025 0.000 1.090 484 V CB 1.448 33.260 31.823 -0.018 0.000 1.112 484 V HN 0.344 nan 8.190 nan 0.000 0.472 485 E N 1.322 121.511 120.200 -0.019 0.000 2.331 485 E HA 0.432 4.782 4.350 -0.000 0.000 0.272 485 E C -0.813 175.776 176.600 -0.017 0.000 1.036 485 E CA -0.067 56.322 56.400 -0.017 0.000 0.864 485 E CB 0.805 30.498 29.700 -0.012 0.000 1.035 485 E HN 0.418 nan 8.360 nan 0.000 0.408 486 L N 3.002 124.214 121.223 -0.018 0.000 2.276 486 L HA 0.399 4.739 4.340 -0.000 0.000 0.286 486 L C 0.560 177.421 176.870 -0.014 0.000 1.061 486 L CA -0.672 54.157 54.840 -0.017 0.000 0.807 486 L CB 0.949 42.998 42.059 -0.016 0.000 1.177 486 L HN 0.555 nan 8.230 nan 0.000 0.429 487 T N 0.174 114.718 114.554 -0.016 0.000 2.952 487 T HA 0.563 4.913 4.350 -0.000 0.000 0.286 487 T C -2.509 172.172 174.700 -0.030 0.000 1.024 487 T CA -2.113 59.977 62.100 -0.017 0.000 1.029 487 T CB 1.523 70.384 68.868 -0.012 0.000 1.094 487 T HN 0.347 nan 8.240 nan 0.000 0.515 488 P HA 0.120 nan 4.420 nan 0.000 0.264 488 P C -0.057 177.177 177.300 -0.110 0.000 1.193 488 P CA -0.273 62.791 63.100 -0.060 0.000 0.763 488 P CB 0.319 31.994 31.700 -0.041 0.000 0.810 489 L N 2.482 123.579 121.223 -0.209 0.000 2.578 489 L HA 0.050 4.390 4.340 -0.000 0.000 0.279 489 L C 1.088 177.694 176.870 -0.439 0.000 1.227 489 L CA 0.908 55.484 54.840 -0.441 0.000 0.900 489 L CB -0.379 41.152 42.059 -0.880 0.000 1.144 489 L HN 0.545 nan 8.230 nan 0.000 0.496 490 E N 3.403 123.499 120.200 -0.173 0.000 2.321 490 E HA 0.232 4.582 4.350 -0.000 0.000 0.281 490 E C -1.232 175.561 176.600 0.322 0.000 0.910 490 E CA -0.887 55.578 56.400 0.108 0.000 0.770 490 E CB 1.431 31.170 29.700 0.066 0.000 1.225 490 E HN 0.396 nan 8.360 nan 0.000 0.417 491 K N 3.810 124.484 120.400 0.456 0.000 2.484 491 K HA 0.102 4.422 4.320 -0.000 0.000 0.280 491 K C -0.090 176.656 176.600 0.243 0.000 1.013 491 K CA 0.295 56.800 56.287 0.363 0.000 1.029 491 K CB 0.287 32.943 32.500 0.258 0.000 0.902 491 K HN 0.427 nan 8.250 nan 0.000 0.481 492 L N 5.176 126.550 121.223 0.252 0.000 2.312 492 L HA 0.264 4.604 4.340 -0.000 0.000 0.281 492 L C -2.033 174.950 176.870 0.188 0.000 1.070 492 L CA -2.464 52.513 54.840 0.228 0.000 0.805 492 L CB 0.567 42.805 42.059 0.298 0.000 1.174 492 L HN 0.315 nan 8.230 nan 0.000 0.434 493 P HA 0.020 nan 4.420 nan 0.000 0.264 493 P C -0.371 176.789 177.300 -0.233 0.000 1.193 493 P CA -0.125 62.962 63.100 -0.023 0.000 0.763 493 P CB 0.225 31.907 31.700 -0.030 0.000 0.810 494 I N 2.711 123.093 120.570 -0.314 0.000 2.668 494 I HA 0.076 4.246 4.170 -0.000 0.000 0.285 494 I C 1.635 177.210 176.117 -0.904 0.000 1.168 494 I CA 0.858 61.715 61.300 -0.739 0.000 1.424 494 I CB -0.961 36.842 38.000 -0.329 0.000 1.377 494 I HN 0.773 nan 8.210 nan 0.000 0.560 495 G N 5.482 113.270 108.800 -1.687 0.000 2.198 495 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.257 495 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.257 495 G C 0.139 174.805 174.900 -0.389 0.000 1.042 495 G CA -0.205 44.445 45.100 -0.751 0.000 0.791 495 G HN 0.508 nan 8.290 nan 0.000 0.502 496 K N 0.202 120.368 120.400 -0.389 0.000 2.376 496 K HA 0.662 4.982 4.320 -0.000 0.000 0.257 496 K C 0.744 177.387 176.600 0.073 0.000 0.939 496 K CA 0.094 56.327 56.287 -0.090 0.000 0.809 496 K CB 1.728 34.175 32.500 -0.088 0.000 1.121 496 K HN 0.345 nan 8.250 nan 0.000 0.425 497 G N 1.589 110.417 108.800 0.046 0.000 2.568 497 G HA2 0.706 4.666 3.960 -0.000 0.000 0.293 497 G HA3 0.706 4.666 3.960 -0.000 0.000 0.293 497 G C -0.854 174.053 174.900 0.012 0.000 1.347 497 G CA -0.547 44.575 45.100 0.037 0.000 1.039 497 G HN 0.549 nan 8.290 nan 0.000 0.523 498 I N -0.071 120.492 120.570 -0.012 0.000 2.649 498 I HA 0.353 4.523 4.170 -0.000 0.000 0.289 498 I C -0.294 175.805 176.117 -0.030 0.000 1.222 498 I CA -1.134 60.159 61.300 -0.012 0.000 1.046 498 I CB 1.905 39.907 38.000 0.004 0.000 1.272 498 I HN 0.523 nan 8.210 nan 0.000 0.425 499 V N 5.837 125.736 119.914 -0.025 0.000 2.572 499 V HA 0.414 4.534 4.120 -0.000 0.000 0.291 499 V C 0.524 176.605 176.094 -0.020 0.000 1.039 499 V CA 0.010 62.293 62.300 -0.029 0.000 1.055 499 V CB 1.158 32.973 31.823 -0.014 0.000 0.969 499 V HN 0.813 nan 8.190 nan 0.000 0.482 500 K N 3.652 124.036 120.400 -0.027 0.000 2.354 500 K HA 0.317 4.637 4.320 -0.000 0.000 0.194 500 K C 0.630 177.224 176.600 -0.010 0.000 1.045 500 K CA 0.411 56.687 56.287 -0.019 0.000 1.026 500 K CB 0.380 32.864 32.500 -0.027 0.000 0.866 500 K HN 0.864 nan 8.250 nan 0.000 0.530 501 R N 0.521 121.016 120.500 -0.007 0.000 2.561 501 R HA 0.229 4.569 4.340 -0.000 0.000 0.266 501 R C -1.283 175.029 176.300 0.020 0.000 1.091 501 R CA -0.569 55.534 56.100 0.004 0.000 0.927 501 R CB 1.223 31.524 30.300 0.002 0.000 1.240 501 R HN -0.220 nan 8.270 nan 0.000 0.449 502 R N 2.035 122.553 120.500 0.029 0.000 2.229 502 R HA 0.399 4.739 4.340 -0.000 0.000 0.332 502 R C -0.146 176.187 176.300 0.055 0.000 0.989 502 R CA -0.278 55.852 56.100 0.051 0.000 0.842 502 R CB 1.594 31.915 30.300 0.035 0.000 1.119 502 R HN 0.850 nan 8.270 nan 0.000 0.456 503 G N 1.423 110.280 108.800 0.096 0.000 3.234 503 G HA2 0.505 4.465 3.960 -0.000 0.000 0.159 503 G HA3 0.505 4.465 3.960 -0.000 0.000 0.159 503 G C -0.935 174.001 174.900 0.059 0.000 1.175 503 G CA -0.367 44.780 45.100 0.077 0.000 0.900 503 G HN 0.503 nan 8.290 nan 0.000 0.621 504 E N -1.437 118.796 120.200 0.055 0.000 2.372 504 E HA 0.426 4.776 4.350 -0.000 0.000 0.279 504 E C 0.093 176.712 176.600 0.033 0.000 0.946 504 E CA -0.601 55.787 56.400 -0.021 0.000 0.769 504 E CB 2.391 32.075 29.700 -0.028 0.000 1.230 504 E HN 0.622 nan 8.360 nan 0.000 0.442 505 K N -0.018 120.365 120.400 -0.028 0.000 3.870 505 K HA -0.260 4.060 4.320 -0.000 0.000 0.370 505 K C -0.908 175.804 176.600 0.187 0.000 0.607 505 K CA 1.853 58.171 56.287 0.052 0.000 1.617 505 K CB -0.715 31.811 32.500 0.043 0.000 1.221 505 K HN 0.471 nan 8.250 nan 0.000 0.485 506 L N 0.326 121.701 121.223 0.254 0.000 2.385 506 L HA 0.658 4.998 4.340 -0.000 0.000 0.273 506 L C -1.078 175.900 176.870 0.181 0.000 0.990 506 L CA 0.226 55.199 54.840 0.221 0.000 0.821 506 L CB 1.875 44.016 42.059 0.136 0.000 1.279 506 L HN 0.257 nan 8.230 nan 0.000 0.412 507 A N 5.846 128.636 122.820 -0.050 0.000 2.311 507 A HA 0.734 5.054 4.320 -0.000 0.000 0.306 507 A C -0.792 176.703 177.584 -0.149 0.000 1.189 507 A CA -0.380 51.483 52.037 -0.290 0.000 0.791 507 A CB 0.360 18.905 19.000 -0.759 0.000 1.172 507 A HN 0.607 nan 8.150 nan 0.000 0.481 508 I N 3.750 124.252 120.570 -0.113 0.000 2.304 508 I HA 0.227 4.397 4.170 -0.000 0.000 0.291 508 I C -0.595 175.440 176.117 -0.137 0.000 1.018 508 I CA -0.190 61.052 61.300 -0.098 0.000 1.260 508 I CB 1.102 39.061 38.000 -0.068 0.000 1.390 508 I HN 0.483 nan 8.210 nan 0.000 0.475 509 L N 6.779 127.910 121.223 -0.153 0.000 2.262 509 L HA 0.382 4.722 4.340 -0.000 0.000 0.288 509 L C 0.141 176.812 176.870 -0.332 0.000 1.035 509 L CA -0.324 54.364 54.840 -0.254 0.000 0.820 509 L CB 0.592 42.512 42.059 -0.231 0.000 1.204 509 L HN 0.633 nan 8.230 nan 0.000 0.424 510 N N 3.436 121.911 118.700 -0.375 0.000 2.456 510 N HA 0.361 5.101 4.740 -0.000 0.000 0.288 510 N C -1.572 173.652 175.510 -0.477 0.000 1.059 510 N CA -0.343 52.523 53.050 -0.306 0.000 0.946 510 N CB 1.288 39.674 38.487 -0.167 0.000 1.150 510 N HN 0.264 nan 8.380 nan 0.000 0.479 511 F N 2.215 122.124 119.950 -0.069 0.000 2.532 511 F HA 0.499 5.026 4.527 -0.000 0.000 0.365 511 F C 0.968 176.710 175.800 -0.096 0.000 1.112 511 F CA -0.052 57.901 58.000 -0.079 0.000 1.082 511 F CB 1.236 40.186 39.000 -0.084 0.000 1.319 511 F HN 0.754 nan 8.300 nan 0.000 0.457 512 G N 1.057 109.879 108.800 0.036 0.000 2.483 512 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.521 512 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.521 512 G C 0.530 175.402 174.900 -0.047 0.000 1.278 512 G CA -0.377 44.707 45.100 -0.026 0.000 0.965 512 G HN 0.690 nan 8.290 nan 0.000 0.504 513 T N -1.057 113.451 114.554 -0.078 0.000 3.228 513 T HA 0.363 4.713 4.350 -0.000 0.000 0.261 513 T C 1.132 175.814 174.700 -0.029 0.000 1.171 513 T CA 1.213 63.280 62.100 -0.056 0.000 1.056 513 T CB -0.027 68.775 68.868 -0.110 0.000 0.938 513 T HN 0.640 nan 8.240 nan 0.000 0.539 517 E N 0.626 120.820 120.200 -0.011 0.000 2.072 517 E HA 0.049 4.399 4.350 -0.000 0.000 0.190 517 E C 1.861 178.451 176.600 -0.017 0.000 0.982 517 E CA 1.463 57.855 56.400 -0.012 0.000 0.803 517 E CB -0.553 29.138 29.700 -0.015 0.000 0.755 517 E HN 0.385 nan 8.360 nan 0.000 0.453 518 A N 1.663 124.469 122.820 -0.024 0.000 1.933 518 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 518 A C 2.411 179.980 177.584 -0.025 0.000 1.175 518 A CA 1.994 54.013 52.037 -0.030 0.000 0.628 518 A CB -0.535 18.439 19.000 -0.044 0.000 0.814 518 A HN 0.254 nan 8.150 nan 0.000 0.444 519 A N -0.191 122.616 122.820 -0.022 0.000 1.933 519 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 519 A C 2.105 179.683 177.584 -0.010 0.000 1.175 519 A CA 1.778 53.805 52.037 -0.017 0.000 0.628 519 A CB -0.393 18.599 19.000 -0.014 0.000 0.814 519 A HN 0.553 nan 8.150 nan 0.000 0.444 520 K N -0.439 119.957 120.400 -0.008 0.000 2.057 520 K HA -0.061 4.259 4.320 -0.000 0.000 0.207 520 K C 1.874 178.473 176.600 -0.001 0.000 1.049 520 K CA 1.381 57.666 56.287 -0.003 0.000 0.931 520 K CB -0.343 32.155 32.500 -0.003 0.000 0.714 520 K HN 0.318 nan 8.250 nan 0.000 0.440 521 V N 1.442 121.354 119.914 -0.004 0.000 2.295 521 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 521 V C 2.378 178.475 176.094 0.005 0.000 1.049 521 V CA 2.073 64.373 62.300 0.000 0.000 1.024 521 V CB -0.743 31.077 31.823 -0.005 0.000 0.648 521 V HN 0.355 nan 8.190 nan 0.000 0.447 522 A N -0.147 122.673 122.820 -0.001 0.000 1.902 522 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 522 A C 2.196 179.786 177.584 0.010 0.000 1.181 522 A CA 2.138 54.178 52.037 0.004 0.000 0.623 522 A CB -0.540 18.457 19.000 -0.005 0.000 0.818 522 A HN 0.531 nan 8.150 nan 0.000 0.443 523 E N -0.165 120.039 120.200 0.006 0.000 2.110 523 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 523 E C 2.204 178.810 176.600 0.010 0.000 0.988 523 E CA 1.353 57.757 56.400 0.007 0.000 0.804 523 E CB -0.302 29.400 29.700 0.004 0.000 0.745 523 E HN 0.505 nan 8.360 nan 0.000 0.458 524 S N -1.088 114.618 115.700 0.010 0.000 2.428 524 S HA 0.018 4.488 4.470 -0.000 0.000 0.230 524 S C 1.339 175.949 174.600 0.017 0.000 1.014 524 S CA 0.633 58.840 58.200 0.012 0.000 0.957 524 S CB 0.006 63.213 63.200 0.011 0.000 0.784 524 S HN 0.320 nan 8.310 nan 0.000 0.499 525 L N 1.261 122.497 121.223 0.021 0.000 2.857 525 L HA 0.344 4.684 4.340 -0.000 0.000 0.249 525 L C 0.521 177.409 176.870 0.031 0.000 1.172 525 L CA -0.074 54.783 54.840 0.029 0.000 0.980 525 L CB -0.372 41.709 42.059 0.036 0.000 1.299 525 L HN 0.286 nan 8.230 nan 0.000 0.535 526 N N 1.581 120.296 118.700 0.026 0.000 2.716 526 N HA -0.212 4.528 4.740 -0.000 0.000 0.250 526 N C -0.166 175.370 175.510 0.043 0.000 1.033 526 N CA 0.732 53.799 53.050 0.028 0.000 0.727 526 N CB -0.345 38.155 38.487 0.022 0.000 0.950 526 N HN 0.479 nan 8.380 nan 0.000 0.541 527 A N -0.557 122.291 122.820 0.047 0.000 2.269 527 A HA 0.677 4.997 4.320 -0.000 0.000 0.319 527 A C 0.508 178.131 177.584 0.065 0.000 1.110 527 A CA -0.096 51.983 52.037 0.071 0.000 0.847 527 A CB 0.689 19.723 19.000 0.056 0.000 1.161 527 A HN 0.334 nan 8.150 nan 0.000 0.497 528 T N 0.869 115.481 114.554 0.097 0.000 2.907 528 T HA 0.425 4.775 4.350 -0.000 0.000 0.298 528 T C -0.514 174.169 174.700 -0.029 0.000 1.017 528 T CA 0.342 62.478 62.100 0.061 0.000 1.118 528 T CB 0.327 69.264 68.868 0.115 0.000 0.948 528 T HN 0.501 nan 8.240 nan 0.000 0.531 529 L N 4.886 126.089 121.223 -0.033 0.000 2.356 529 L HA 0.718 5.058 4.340 -0.000 0.000 0.277 529 L C -1.191 175.633 176.870 -0.075 0.000 0.996 529 L CA -0.487 54.317 54.840 -0.059 0.000 0.822 529 L CB 1.594 43.628 42.059 -0.041 0.000 1.256 529 L HN 0.425 nan 8.230 nan 0.000 0.413 530 V N 4.084 123.930 119.914 -0.113 0.000 2.656 530 V HA 0.520 4.640 4.120 -0.000 0.000 0.307 530 V C -0.621 175.373 176.094 -0.167 0.000 1.051 530 V CA -0.640 61.583 62.300 -0.128 0.000 0.893 530 V CB 1.804 33.537 31.823 -0.150 0.000 0.999 530 V HN 0.776 nan 8.190 nan 0.000 0.426 534 F N 0.941 120.943 119.950 0.088 0.000 2.458 534 F HA 0.335 4.862 4.527 0.000 0.000 0.336 534 F C 1.227 177.135 175.800 0.181 0.000 1.114 534 F CA -0.642 57.412 58.000 0.090 0.000 0.987 534 F CB 1.966 40.986 39.000 0.033 0.000 1.130 534 F HN -0.245 nan 8.300 nan 0.000 0.458 535 V N 1.724 121.755 119.914 0.194 0.000 2.878 535 V HA 0.064 4.184 4.120 -0.000 0.000 0.250 535 V C 0.297 176.415 176.094 0.039 0.000 1.075 535 V CA 0.905 63.214 62.300 0.015 0.000 1.096 535 V CB -0.169 31.547 31.823 -0.177 0.000 0.724 535 V HN 0.654 nan 8.190 nan 0.000 0.467 536 K N 0.872 121.339 120.400 0.112 0.000 2.575 536 K HA 0.313 4.633 4.320 -0.000 0.000 0.255 536 K C -3.125 173.559 176.600 0.140 0.000 0.953 536 K CA -1.452 54.888 56.287 0.087 0.000 0.840 536 K CB 2.735 35.249 32.500 0.024 0.000 1.303 536 K HN -0.081 nan 8.250 nan 0.000 0.438 537 P HA 0.157 nan 4.420 nan 0.000 0.278 537 P C -0.421 176.917 177.300 0.063 0.000 1.238 537 P CA -0.450 62.672 63.100 0.037 0.000 0.794 537 P CB 0.946 32.638 31.700 -0.012 0.000 0.955 538 L N 1.870 123.137 121.223 0.073 0.000 2.417 538 L HA 0.151 4.491 4.340 -0.000 0.000 0.268 538 L C 1.313 178.221 176.870 0.064 0.000 1.158 538 L CA -0.141 54.766 54.840 0.112 0.000 0.819 538 L CB 0.069 42.197 42.059 0.116 0.000 1.112 538 L HN 0.363 nan 8.230 nan 0.000 0.458 539 D N 2.285 122.728 120.400 0.071 0.000 2.600 539 D HA -0.012 4.628 4.640 -0.000 0.000 0.226 539 D C 1.075 177.391 176.300 0.026 0.000 1.119 539 D CA 0.190 54.202 54.000 0.020 0.000 1.051 539 D CB 0.354 41.163 40.800 0.015 0.000 1.106 539 D HN 0.499 nan 8.370 nan 0.000 0.491 540 E N 1.232 121.452 120.200 0.032 0.000 2.049 540 E HA -0.264 4.086 4.350 -0.000 0.000 0.198 540 E C 1.924 178.513 176.600 -0.018 0.000 1.007 540 E CA 1.473 57.895 56.400 0.037 0.000 0.809 540 E CB 0.046 29.794 29.700 0.081 0.000 0.749 540 E HN 0.544 nan 8.360 nan 0.000 0.450 541 A N 1.778 124.578 122.820 -0.033 0.000 1.892 541 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 541 A C 2.184 179.744 177.584 -0.040 0.000 1.188 541 A CA 1.248 53.254 52.037 -0.053 0.000 0.631 541 A CB -0.674 18.302 19.000 -0.039 0.000 0.822 541 A HN 0.258 nan 8.150 nan 0.000 0.447 542 L N -0.098 121.110 121.223 -0.024 0.000 2.083 542 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 542 L C 2.298 179.155 176.870 -0.022 0.000 1.083 542 L CA 1.839 56.666 54.840 -0.022 0.000 0.752 542 L CB -0.896 41.150 42.059 -0.022 0.000 0.899 542 L HN 0.488 nan 8.230 nan 0.000 0.433 543 I N -0.692 119.871 120.570 -0.011 0.000 2.142 543 I HA -0.334 3.836 4.170 -0.000 0.000 0.240 543 I C 2.396 178.509 176.117 -0.006 0.000 1.078 543 I CA 0.740 62.040 61.300 0.000 0.000 1.343 543 I CB -0.341 37.682 38.000 0.038 0.000 1.046 543 I HN 0.212 nan 8.210 nan 0.000 0.405 544 L N 0.786 121.991 121.223 -0.030 0.000 2.079 544 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 544 L C 1.616 178.474 176.870 -0.019 0.000 1.081 544 L CA 1.412 56.222 54.840 -0.050 0.000 0.752 544 L CB -1.090 40.881 42.059 -0.146 0.000 0.896 544 L HN 0.313 nan 8.230 nan 0.000 0.433 548 A N 0.875 123.741 122.820 0.077 0.000 2.066 548 A HA 0.218 4.538 4.320 -0.000 0.000 0.218 548 A C 1.905 179.527 177.584 0.064 0.000 1.157 548 A CA 2.254 54.325 52.037 0.057 0.000 0.670 548 A CB -0.524 18.494 19.000 0.031 0.000 0.804 548 A HN 1.347 nan 8.150 nan 0.000 0.453 549 S N -1.534 114.241 115.700 0.126 0.000 2.554 549 S HA 0.344 4.814 4.470 -0.000 0.000 0.226 549 S C 0.051 174.588 174.600 -0.105 0.000 0.980 549 S CA -0.486 57.744 58.200 0.050 0.000 0.939 549 S CB -0.186 63.055 63.200 0.069 0.000 0.832 549 S HN 0.548 nan 8.310 nan 0.000 0.486 550 H N 0.349 119.430 119.070 0.018 0.000 2.928 550 H HA 0.491 5.047 4.556 -0.000 0.000 0.371 550 H C 0.292 175.640 175.328 0.033 0.000 1.186 550 H CA -0.825 55.238 56.048 0.026 0.000 1.134 550 H CB 1.155 30.936 29.762 0.031 0.000 1.824 550 H HN -0.002 nan 8.280 nan 0.000 0.554 551 E N 0.552 120.840 120.200 0.147 0.000 2.112 551 E HA 0.270 4.620 4.350 -0.000 0.000 0.190 551 E C -0.073 176.601 176.600 0.123 0.000 0.979 551 E CA 0.836 57.293 56.400 0.095 0.000 0.814 551 E CB 0.487 30.220 29.700 0.056 0.000 0.762 551 E HN 0.500 nan 8.360 nan 0.000 0.460 552 A N 0.326 123.252 122.820 0.177 0.000 2.594 552 A HA 0.540 4.860 4.320 -0.000 0.000 0.295 552 A C -1.626 176.076 177.584 0.196 0.000 1.071 552 A CA -0.725 51.450 52.037 0.230 0.000 0.685 552 A CB 1.164 20.362 19.000 0.330 0.000 1.285 552 A HN -0.005 nan 8.150 nan 0.000 0.405 553 L N 0.472 121.795 121.223 0.167 0.000 2.334 553 L HA 0.797 5.137 4.340 -0.000 0.000 0.270 553 L C -0.375 176.493 176.870 -0.003 0.000 1.018 553 L CA -0.601 54.267 54.840 0.048 0.000 0.811 553 L CB 1.933 44.005 42.059 0.022 0.000 1.271 553 L HN 0.478 nan 8.230 nan 0.000 0.443 554 V N -0.168 119.708 119.914 -0.063 0.000 2.569 554 V HA 0.557 4.677 4.120 -0.000 0.000 0.301 554 V C -0.397 175.643 176.094 -0.091 0.000 1.044 554 V CA -0.772 61.450 62.300 -0.131 0.000 0.874 554 V CB 2.024 33.780 31.823 -0.112 0.000 1.002 554 V HN 0.860 nan 8.190 nan 0.000 0.424 555 T N 1.751 116.259 114.554 -0.077 0.000 2.824 555 T HA 0.820 5.170 4.350 -0.000 0.000 0.280 555 T C -0.706 174.002 174.700 0.014 0.000 0.995 555 T CA -0.742 61.374 62.100 0.027 0.000 1.009 555 T CB 1.799 70.744 68.868 0.129 0.000 0.955 555 T HN 0.335 nan 8.240 nan 0.000 0.452 556 V N 3.712 123.667 119.914 0.068 0.000 2.531 556 V HA 0.689 4.809 4.120 -0.000 0.000 0.301 556 V C -0.385 175.776 176.094 0.112 0.000 1.034 556 V CA -0.677 61.643 62.300 0.033 0.000 0.865 556 V CB 1.290 33.100 31.823 -0.021 0.000 0.995 556 V HN 1.146 nan 8.190 nan 0.000 0.424 557 E N 2.813 123.034 120.200 0.035 0.000 2.390 557 E HA 0.470 4.820 4.350 -0.000 0.000 0.280 557 E C -1.059 175.499 176.600 -0.070 0.000 0.992 557 E CA -0.904 55.502 56.400 0.010 0.000 0.790 557 E CB 2.328 32.005 29.700 -0.038 0.000 1.248 557 E HN 0.527 nan 8.360 nan 0.000 0.447 558 E N 2.258 122.402 120.200 -0.094 0.000 2.282 558 E HA 0.190 4.540 4.350 -0.000 0.000 0.247 558 E C -1.096 175.398 176.600 -0.176 0.000 1.113 558 E CA -0.220 56.103 56.400 -0.129 0.000 1.095 558 E CB 0.102 29.729 29.700 -0.121 0.000 1.328 558 E HN 0.464 nan 8.360 nan 0.000 0.463 559 N N 0.994 119.579 118.700 -0.191 0.000 2.961 559 N HA 0.221 4.961 4.740 -0.000 0.000 0.245 559 N C -1.396 173.983 175.510 -0.219 0.000 1.404 559 N CA -0.468 52.440 53.050 -0.237 0.000 0.880 559 N CB 1.512 39.863 38.487 -0.227 0.000 1.461 559 N HN 0.185 nan 8.380 nan 0.000 0.510 560 A N 2.030 124.715 122.820 -0.224 0.000 2.567 560 A HA 0.222 4.542 4.320 -0.000 0.000 0.240 560 A C 1.041 178.556 177.584 -0.115 0.000 1.053 560 A CA 0.145 52.100 52.037 -0.136 0.000 0.755 560 A CB -0.471 18.556 19.000 0.046 0.000 0.978 560 A HN 0.554 nan 8.150 nan 0.000 0.507 564 G N 0.430 109.164 108.800 -0.110 0.000 2.468 564 G HA2 0.509 4.469 3.960 -0.000 0.000 0.264 564 G HA3 0.509 4.469 3.960 -0.000 0.000 0.264 564 G C 1.555 176.309 174.900 -0.243 0.000 1.460 564 G CA 0.563 45.558 45.100 -0.175 0.000 1.060 564 G HN 0.839 nan 8.290 nan 0.000 0.543 565 A N -0.847 121.740 122.820 -0.389 0.000 1.877 565 A HA 0.078 4.398 4.320 -0.000 0.000 0.216 565 A C 2.625 179.923 177.584 -0.477 0.000 1.186 565 A CA 2.408 54.040 52.037 -0.674 0.000 0.620 565 A CB -1.256 16.904 19.000 -1.400 0.000 0.822 565 A HN 1.052 nan 8.150 nan 0.000 0.443 566 G N -0.931 107.699 108.800 -0.283 0.000 2.440 566 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 566 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 566 G C 1.917 176.772 174.900 -0.076 0.000 1.154 566 G CA 1.525 46.571 45.100 -0.090 0.000 0.767 566 G HN 0.560 nan 8.290 nan 0.000 0.552 567 S N 0.417 116.056 115.700 -0.102 0.000 2.383 567 S HA -0.028 4.442 4.470 -0.000 0.000 0.229 567 S C 2.486 177.054 174.600 -0.054 0.000 1.030 567 S CA 1.859 60.019 58.200 -0.067 0.000 1.002 567 S CB -0.648 62.508 63.200 -0.072 0.000 0.829 567 S HN 0.486 nan 8.310 nan 0.000 0.467 568 G N 0.538 109.286 108.800 -0.087 0.000 2.408 568 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.217 568 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.217 568 G C 1.469 176.366 174.900 -0.003 0.000 1.150 568 G CA 0.991 46.056 45.100 -0.057 0.000 0.776 568 G HN 0.467 nan 8.290 nan 0.000 0.542 569 V N 1.684 121.607 119.914 0.016 0.000 2.343 569 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 569 V C 2.686 178.814 176.094 0.057 0.000 1.051 569 V CA 1.909 64.254 62.300 0.074 0.000 1.036 569 V CB -0.500 31.395 31.823 0.121 0.000 0.654 569 V HN 0.316 nan 8.190 nan 0.000 0.451 570 N N 0.376 119.096 118.700 0.033 0.000 2.104 570 N HA -0.200 4.540 4.740 -0.000 0.000 0.190 570 N C 1.803 177.335 175.510 0.035 0.000 1.024 570 N CA 1.636 54.707 53.050 0.036 0.000 0.853 570 N CB -0.379 38.120 38.487 0.021 0.000 1.008 570 N HN 0.605 nan 8.380 nan 0.000 0.424 571 E N 0.233 120.445 120.200 0.020 0.000 2.085 571 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 571 E C 1.962 178.574 176.600 0.020 0.000 0.994 571 E CA 0.930 57.337 56.400 0.012 0.000 0.801 571 E CB 0.014 29.713 29.700 -0.001 0.000 0.743 571 E HN 0.090 nan 8.360 nan 0.000 0.453 572 V N 1.564 121.510 119.914 0.053 0.000 2.295 572 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 572 V C 1.635 177.832 176.094 0.172 0.000 1.049 572 V CA 1.044 63.410 62.300 0.110 0.000 1.024 572 V CB -0.469 31.442 31.823 0.147 0.000 0.648 572 V HN 0.164 nan 8.190 nan 0.000 0.447 576 H N 0.214 119.294 119.070 0.017 0.000 2.539 576 H HA 0.240 4.796 4.556 -0.000 0.000 0.267 576 H C 0.657 175.996 175.328 0.017 0.000 0.982 576 H CA 0.900 56.958 56.048 0.017 0.000 1.146 576 H CB 0.138 29.911 29.762 0.018 0.000 1.382 576 H HN 0.562 nan 8.280 nan 0.000 0.577 577 R N 1.194 121.747 120.500 0.089 0.000 3.422 577 R HA -0.127 4.213 4.340 -0.000 0.000 0.267 577 R C -0.742 175.602 176.300 0.074 0.000 1.074 577 R CA 0.265 56.403 56.100 0.064 0.000 0.718 577 R CB -0.721 29.607 30.300 0.046 0.000 1.157 577 R HN 0.040 nan 8.270 nan 0.000 0.440 578 K N 0.869 121.324 120.400 0.092 0.000 2.847 578 K HA 0.217 4.537 4.320 -0.000 0.000 0.213 578 K C -2.385 174.258 176.600 0.071 0.000 1.174 578 K CA -1.496 54.837 56.287 0.077 0.000 1.095 578 K CB 1.259 33.807 32.500 0.081 0.000 1.581 578 K HN 0.205 nan 8.250 nan 0.000 0.514 579 P HA -0.000 nan 4.420 nan 0.000 0.257 579 P C -0.221 177.118 177.300 0.065 0.000 1.269 579 P CA 0.029 63.165 63.100 0.061 0.000 1.122 579 P CB 0.231 31.959 31.700 0.048 0.000 1.285 580 V N 6.809 126.772 119.914 0.082 0.000 2.459 580 V HA 0.308 4.428 4.120 -0.000 0.000 0.295 580 V C -1.761 174.416 176.094 0.138 0.000 1.029 580 V CA -2.213 60.144 62.300 0.095 0.000 0.874 580 V CB 1.631 33.511 31.823 0.096 0.000 0.985 580 V HN 0.426 nan 8.190 nan 0.000 0.438 581 P HA 0.104 nan 4.420 nan 0.000 0.264 581 P C -0.931 176.645 177.300 0.460 0.000 1.193 581 P CA 0.233 63.517 63.100 0.307 0.000 0.763 581 P CB 0.876 32.665 31.700 0.148 0.000 0.810 582 V N 4.817 124.972 119.914 0.401 0.000 2.525 582 V HA 0.182 4.302 4.120 -0.000 0.000 0.299 582 V C 0.060 176.015 176.094 -0.232 0.000 1.034 582 V CA -0.829 61.537 62.300 0.111 0.000 0.863 582 V CB 1.709 33.567 31.823 0.057 0.000 0.999 582 V HN 0.406 nan 8.190 nan 0.000 0.423 583 L N 5.637 126.396 121.223 -0.773 0.000 2.261 583 L HA 0.521 4.861 4.340 -0.000 0.000 0.289 583 L C 0.120 176.690 176.870 -0.500 0.000 1.059 583 L CA 0.240 54.409 54.840 -1.119 0.000 0.816 583 L CB 0.573 41.652 42.059 -1.632 0.000 1.191 583 L HN 0.568 nan 8.230 nan 0.000 0.431 584 N N 7.045 125.539 118.700 -0.342 0.000 2.406 584 N HA 0.293 5.033 4.740 -0.000 0.000 0.251 584 N C -0.639 174.755 175.510 -0.194 0.000 1.069 584 N CA 0.057 52.989 53.050 -0.197 0.000 0.947 584 N CB 1.212 39.618 38.487 -0.135 0.000 1.111 584 N HN 0.581 nan 8.380 nan 0.000 0.497 585 I N 1.468 121.945 120.570 -0.156 0.000 2.336 585 I HA 0.514 4.684 4.170 -0.000 0.000 0.292 585 I C 1.011 177.064 176.117 -0.107 0.000 0.991 585 I CA -0.296 60.923 61.300 -0.134 0.000 1.227 585 I CB 1.476 39.405 38.000 -0.118 0.000 1.366 585 I HN 0.516 nan 8.210 nan 0.000 0.466 586 G N 5.809 114.538 108.800 -0.119 0.000 2.450 586 G HA2 0.358 4.318 3.960 -0.000 0.000 0.273 586 G HA3 0.358 4.318 3.960 -0.000 0.000 0.273 586 G C -1.339 173.467 174.900 -0.158 0.000 1.221 586 G CA -0.903 44.120 45.100 -0.129 0.000 0.900 586 G HN 0.331 nan 8.290 nan 0.000 0.483 587 L N 2.178 123.286 121.223 -0.191 0.000 2.380 587 L HA 0.338 4.678 4.340 -0.000 0.000 0.273 587 L C -1.859 174.833 176.870 -0.297 0.000 1.138 587 L CA -1.389 53.300 54.840 -0.253 0.000 0.832 587 L CB 1.089 42.978 42.059 -0.283 0.000 1.124 587 L HN 0.257 nan 8.230 nan 0.000 0.454 588 P HA -0.027 nan 4.420 nan 0.000 0.274 588 P C -0.594 176.403 177.300 -0.506 0.000 1.264 588 P CA -0.312 62.475 63.100 -0.522 0.000 0.795 588 P CB 0.462 31.596 31.700 -0.945 0.000 1.064 589 D N -0.305 119.902 120.400 -0.322 0.000 3.134 589 D HA 0.234 4.874 4.640 -0.000 0.000 0.248 589 D C -1.096 175.169 176.300 -0.060 0.000 1.273 589 D CA -0.159 53.742 54.000 -0.165 0.000 0.904 589 D CB -1.222 39.544 40.800 -0.056 0.000 1.089 589 D HN 0.161 nan 8.370 nan 0.000 0.478 590 F N -1.890 118.009 119.950 -0.084 0.000 2.631 590 F HA 0.532 5.059 4.527 0.000 0.000 0.308 590 F C -1.061 174.701 175.800 -0.063 0.000 1.097 590 F CA -1.913 56.040 58.000 -0.079 0.000 0.952 590 F CB 0.251 39.274 39.000 0.038 0.000 1.307 590 F HN -0.330 nan 8.300 nan 0.000 0.450 591 F N 3.297 123.524 119.950 0.462 0.000 2.538 591 F HA 0.272 4.799 4.527 -0.000 0.000 0.371 591 F C 0.714 176.749 175.800 0.392 0.000 1.087 591 F CA -0.372 57.852 58.000 0.374 0.000 1.250 591 F CB 0.224 39.446 39.000 0.371 0.000 1.110 591 F HN 0.177 nan 8.300 nan 0.000 0.570 592 I N 5.481 126.282 120.570 0.386 0.000 2.517 592 I HA 0.114 4.284 4.170 -0.000 0.000 0.285 592 I C -2.103 174.140 176.117 0.210 0.000 1.106 592 I CA -2.687 58.779 61.300 0.276 0.000 1.402 592 I CB -0.193 37.868 38.000 0.103 0.000 1.399 592 I HN 0.272 nan 8.210 nan 0.000 0.535 593 P HA 0.056 nan 4.420 nan 0.000 0.270 593 P C -0.304 176.965 177.300 -0.051 0.000 1.223 593 P CA -0.392 62.709 63.100 0.002 0.000 0.785 593 P CB 0.436 32.120 31.700 -0.027 0.000 0.923 594 Q N 0.919 120.620 119.800 -0.165 0.000 2.454 594 Q HA 0.501 4.841 4.340 -0.000 0.000 0.247 594 Q C 0.051 175.978 176.000 -0.122 0.000 1.028 594 Q CA -0.291 55.417 55.803 -0.158 0.000 0.910 594 Q CB 0.265 28.841 28.738 -0.270 0.000 1.276 594 Q HN 0.647 nan 8.270 nan 0.000 0.489 595 G N 0.392 109.137 108.800 -0.091 0.000 2.359 595 G HA2 0.059 4.019 3.960 -0.000 0.000 0.293 595 G HA3 0.059 4.019 3.960 -0.000 0.000 0.293 595 G C -1.164 173.709 174.900 -0.045 0.000 1.300 595 G CA -0.548 44.510 45.100 -0.070 0.000 0.888 595 G HN 0.618 nan 8.290 nan 0.000 0.541 596 T N 0.420 114.953 114.554 -0.035 0.000 2.900 596 T HA 0.245 4.595 4.350 -0.000 0.000 0.307 596 T C 1.795 176.486 174.700 -0.016 0.000 1.065 596 T CA 0.484 62.571 62.100 -0.021 0.000 1.105 596 T CB 1.083 69.940 68.868 -0.017 0.000 0.979 596 T HN 0.522 nan 8.240 nan 0.000 0.544 597 Q N 1.070 120.864 119.800 -0.009 0.000 2.050 597 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 597 Q C 2.261 178.255 176.000 -0.009 0.000 0.980 597 Q CA 1.661 57.459 55.803 -0.009 0.000 0.840 597 Q CB -0.021 28.715 28.738 -0.003 0.000 0.898 597 Q HN 0.769 nan 8.270 nan 0.000 0.424 598 E N 0.945 121.141 120.200 -0.006 0.000 2.051 598 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 598 E C 0.701 177.297 176.600 -0.007 0.000 0.991 598 E CA 0.382 56.779 56.400 -0.005 0.000 0.799 598 E CB 0.145 29.844 29.700 -0.002 0.000 0.748 598 E HN 0.253 nan 8.360 nan 0.000 0.449 602 A N 1.376 124.193 122.820 -0.005 0.000 1.898 602 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 602 A C 1.797 179.385 177.584 0.006 0.000 1.181 602 A CA 1.857 53.893 52.037 -0.001 0.000 0.620 602 A CB -0.377 18.622 19.000 -0.001 0.000 0.819 602 A HN 0.382 nan 8.150 nan 0.000 0.442 603 E N -0.236 119.971 120.200 0.011 0.000 2.204 603 E HA -0.105 4.245 4.350 -0.000 0.000 0.195 603 E C 1.407 178.031 176.600 0.041 0.000 0.990 603 E CA 0.817 57.232 56.400 0.025 0.000 0.821 603 E CB -0.150 29.567 29.700 0.029 0.000 0.750 603 E HN 0.634 nan 8.360 nan 0.000 0.477 604 L N -0.656 120.584 121.223 0.030 0.000 2.592 604 L HA 0.240 4.580 4.340 -0.000 0.000 0.227 604 L C 1.191 178.061 176.870 -0.001 0.000 1.127 604 L CA 0.295 55.149 54.840 0.024 0.000 0.884 604 L CB 0.294 42.348 42.059 -0.010 0.000 1.065 604 L HN 0.324 nan 8.230 nan 0.000 0.457 605 G N 0.897 109.698 108.800 0.000 0.000 2.182 605 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.248 605 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.248 605 G C 0.358 175.245 174.900 -0.022 0.000 1.042 605 G CA -0.055 45.041 45.100 -0.007 0.000 0.775 605 G HN 0.331 nan 8.290 nan 0.000 0.501 606 L N 0.531 121.739 121.223 -0.025 0.000 2.848 606 L HA 0.325 4.665 4.340 -0.000 0.000 0.240 606 L C 0.520 177.375 176.870 -0.026 0.000 1.232 606 L CA -0.013 54.806 54.840 -0.034 0.000 1.031 606 L CB -0.153 41.879 42.059 -0.045 0.000 1.338 606 L HN 0.450 nan 8.230 nan 0.000 0.509 607 D N -1.895 118.494 120.400 -0.018 0.000 2.450 607 D HA 0.420 5.060 4.640 -0.000 0.000 0.238 607 D C 0.982 177.276 176.300 -0.011 0.000 1.020 607 D CA -0.280 53.712 54.000 -0.013 0.000 1.010 607 D CB 1.251 42.046 40.800 -0.008 0.000 1.342 607 D HN -0.128 nan 8.370 nan 0.000 0.530 608 A N 0.758 123.573 122.820 -0.008 0.000 1.894 608 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 608 A C 2.151 179.734 177.584 -0.001 0.000 1.237 608 A CA 3.653 55.687 52.037 -0.005 0.000 0.660 608 A CB -1.546 17.453 19.000 -0.002 0.000 0.835 608 A HN 0.825 nan 8.150 nan 0.000 0.461 609 A N -0.522 122.299 122.820 0.001 0.000 1.865 609 A HA 0.259 4.579 4.320 -0.000 0.000 0.217 609 A C 1.899 179.486 177.584 0.005 0.000 1.191 609 A CA 1.671 53.711 52.037 0.005 0.000 0.623 609 A CB -1.696 17.307 19.000 0.005 0.000 0.826 609 A HN 1.225 nan 8.150 nan 0.000 0.444 613 A N 1.848 124.685 122.820 0.028 0.000 1.877 613 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 613 A C 1.952 179.567 177.584 0.051 0.000 1.186 613 A CA 1.919 53.978 52.037 0.037 0.000 0.620 613 A CB -0.407 18.610 19.000 0.028 0.000 0.822 613 A HN 0.177 nan 8.150 nan 0.000 0.443 614 K N -0.471 119.952 120.400 0.037 0.000 2.032 614 K HA -0.117 4.203 4.320 -0.000 0.000 0.209 614 K C 1.819 178.477 176.600 0.096 0.000 1.048 614 K CA 1.747 58.059 56.287 0.043 0.000 0.927 614 K CB -0.428 32.065 32.500 -0.013 0.000 0.712 614 K HN 0.551 nan 8.250 nan 0.000 0.441 615 I N 0.920 121.540 120.570 0.083 0.000 2.264 615 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 615 I C 2.144 178.390 176.117 0.215 0.000 1.111 615 I CA 1.089 62.489 61.300 0.167 0.000 1.382 615 I CB -0.145 37.922 38.000 0.111 0.000 1.060 615 I HN 0.055 nan 8.210 nan 0.000 0.418 616 K N 1.171 121.650 120.400 0.132 0.000 2.002 616 K HA -0.075 4.245 4.320 -0.000 0.000 0.209 616 K C 2.190 178.857 176.600 0.112 0.000 1.048 616 K CA 1.686 58.035 56.287 0.103 0.000 0.930 616 K CB -0.742 31.799 32.500 0.067 0.000 0.714 616 K HN 0.288 nan 8.250 nan 0.000 0.438 617 A N -0.405 122.487 122.820 0.120 0.000 1.908 617 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 617 A C 2.150 179.835 177.584 0.168 0.000 1.181 617 A CA 1.696 53.803 52.037 0.117 0.000 0.627 617 A CB -1.096 17.968 19.000 0.107 0.000 0.818 617 A HN 0.587 nan 8.150 nan 0.000 0.445 618 W N 0.583 121.889 121.300 0.009 0.000 2.355 618 W HA -0.124 4.536 4.660 -0.000 0.000 0.309 618 W C 1.748 178.273 176.519 0.010 0.000 1.206 618 W CA 1.832 59.182 57.345 0.010 0.000 1.284 618 W CB -0.384 29.081 29.460 0.009 0.000 1.145 618 W HN 0.243 nan 8.180 nan 0.000 0.502 619 L N 0.390 121.647 121.223 0.056 0.000 2.217 619 L HA 0.018 4.358 4.340 -0.000 0.000 0.211 619 L C 1.954 178.748 176.870 -0.126 0.000 1.107 619 L CA 0.415 55.163 54.840 -0.153 0.000 0.783 619 L CB -1.537 40.519 42.059 -0.005 0.000 0.919 619 L HN -0.024 nan 8.230 nan 0.000 0.442 620 A N 0.000 122.795 122.820 -0.042 0.000 2.254 620 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 620 A CA 0.000 52.017 52.037 -0.033 0.000 0.836 620 A CB 0.000 19.003 19.000 0.005 0.000 0.831 620 A HN 0.000 nan 8.150 nan 0.000 0.486