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 3m0v_1_B DATA FIRST_RESID 4 DATA SEQUENCE FRIAQDVVAR ENDRRASALK EDYEALGANL ARRGVDIEAV TAKVEKFFVA DATA SEQUENCE VPSWGVGTGG TRFARFPGTG EPRGIFDKLD DCAVIQQLTR ATPNVSLHIP DATA SEQUENCE WDKADPKELK ARGDALGLGF DAMNSNTFSD APGQAHSYKY GSLSHTNAAT DATA SEQUENCE RAQAVEHNLE CIEIGKAIGS KALTVWIGDG SNFPGQSNFT RAFERYLSAM DATA SEQUENCE AEIYKGLPDD WKLFSEHKMY EPAFYSTVVQ DWGTNYLIAQ TLGPKAQCLV DATA SEQUENCE DLGHHAPNTN IEMIVARLIQ FGKLGGFHFN DSKYGDDDLD AGAIEPYRLF DATA SEQUENCE LVFNELVDAE ARGVKGFHPA HMIDQLHNVT DPIESLINSA NEIRRAYAQA DATA SEQUENCE LLVDRAALSG YQEDNDALMA TETLKRAYRT DVEPILAEAR RRTGGAVDPV DATA SEQUENCE ATYRASGYRA RVAAERPASV A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 F HA 0.000 nan 4.527 nan 0.000 0.279 4 F C 0.000 175.818 175.800 0.030 0.000 0.967 4 F CA 0.000 58.007 58.000 0.011 0.000 1.383 4 F CB 0.000 39.003 39.000 0.006 0.000 1.145 5 R N 1.161 121.746 120.500 0.143 0.000 2.092 5 R HA 0.105 4.440 4.340 -0.009 0.000 0.231 5 R C 0.404 176.804 176.300 0.166 0.000 1.119 5 R CA 1.065 57.250 56.100 0.141 0.000 0.970 5 R CB 0.110 30.413 30.300 0.006 0.000 0.864 5 R HN 0.305 nan 8.270 nan 0.000 0.440 6 I N 1.154 121.802 120.570 0.130 0.000 2.339 6 I HA 0.251 4.416 4.170 -0.009 0.000 0.290 6 I C 0.192 176.385 176.117 0.127 0.000 0.994 6 I CA -1.749 59.620 61.300 0.115 0.000 1.191 6 I CB 1.020 39.059 38.000 0.065 0.000 1.343 6 I HN -0.062 nan 8.210 nan 0.000 0.458 7 A N 6.213 129.080 122.820 0.078 0.000 2.567 7 A HA 0.001 4.316 4.320 -0.009 0.000 0.240 7 A C 1.280 178.845 177.584 -0.031 0.000 1.053 7 A CA 0.227 52.272 52.037 0.013 0.000 0.755 7 A CB 0.077 19.078 19.000 0.001 0.000 0.978 7 A HN 0.825 nan 8.150 nan 0.000 0.507 8 Q N 0.967 120.681 119.800 -0.144 0.000 2.170 8 Q HA -0.207 4.128 4.340 -0.009 0.000 0.203 8 Q C 1.234 177.176 176.000 -0.096 0.000 0.976 8 Q CA 1.584 57.285 55.803 -0.170 0.000 0.858 8 Q CB -0.124 28.393 28.738 -0.368 0.000 0.907 8 Q HN 1.010 nan 8.270 nan 0.000 0.433 9 D N -0.041 120.308 120.400 -0.086 0.000 2.219 9 D HA -0.117 4.518 4.640 -0.009 0.000 0.205 9 D C 1.721 178.002 176.300 -0.033 0.000 0.970 9 D CA 0.801 54.768 54.000 -0.056 0.000 0.851 9 D CB -0.362 40.408 40.800 -0.050 0.000 0.943 9 D HN 0.088 nan 8.370 nan 0.000 0.488 10 V N 0.484 120.384 119.914 -0.023 0.000 2.407 10 V HA -0.158 3.957 4.120 -0.009 0.000 0.245 10 V C 2.823 178.916 176.094 -0.002 0.000 1.041 10 V CA 1.010 63.305 62.300 -0.008 0.000 1.040 10 V CB -0.225 31.600 31.823 0.003 0.000 0.671 10 V HN 0.115 nan 8.190 nan 0.000 0.455 11 V N 0.620 120.535 119.914 0.001 0.000 2.295 11 V HA -0.263 3.852 4.120 -0.009 0.000 0.246 11 V C 2.744 178.837 176.094 -0.002 0.000 1.049 11 V CA 2.101 64.407 62.300 0.010 0.000 1.024 11 V CB -1.196 30.641 31.823 0.024 0.000 0.648 11 V HN 0.545 nan 8.190 nan 0.000 0.447 12 A N 0.027 122.838 122.820 -0.015 0.000 1.877 12 A HA -0.267 4.048 4.320 -0.009 0.000 0.216 12 A C 2.427 180.002 177.584 -0.016 0.000 1.186 12 A CA 2.162 54.187 52.037 -0.019 0.000 0.620 12 A CB -0.594 18.388 19.000 -0.031 0.000 0.822 12 A HN 0.484 nan 8.150 nan 0.000 0.443 13 R N -0.513 119.978 120.500 -0.015 0.000 2.073 13 R HA -0.147 4.187 4.340 -0.009 0.000 0.234 13 R C 1.731 178.027 176.300 -0.008 0.000 1.134 13 R CA 1.673 57.766 56.100 -0.012 0.000 0.952 13 R CB -0.217 30.076 30.300 -0.012 0.000 0.850 13 R HN 0.423 nan 8.270 nan 0.000 0.433 14 E N 0.214 120.412 120.200 -0.004 0.000 2.338 14 E HA -0.118 4.227 4.350 -0.009 0.000 0.197 14 E C 1.327 177.927 176.600 -0.001 0.000 1.007 14 E CA 0.832 57.232 56.400 0.001 0.000 0.849 14 E CB -0.228 29.477 29.700 0.008 0.000 0.774 14 E HN 0.536 nan 8.360 nan 0.000 0.506 15 N N 0.544 119.241 118.700 -0.005 0.000 2.251 15 N HA -0.092 4.643 4.740 -0.009 0.000 0.181 15 N C 1.179 176.681 175.510 -0.013 0.000 1.019 15 N CA 0.593 53.638 53.050 -0.009 0.000 0.862 15 N CB 0.190 38.670 38.487 -0.011 0.000 0.992 15 N HN 0.040 nan 8.380 nan 0.000 0.429 16 D N 0.977 121.369 120.400 -0.013 0.000 2.144 16 D HA -0.156 4.478 4.640 -0.009 0.000 0.199 16 D C 1.772 178.066 176.300 -0.011 0.000 0.984 16 D CA 0.745 54.737 54.000 -0.014 0.000 0.834 16 D CB -0.166 40.626 40.800 -0.014 0.000 0.955 16 D HN 0.216 nan 8.370 nan 0.000 0.465 17 R N 0.753 121.248 120.500 -0.009 0.000 2.152 17 R HA -0.048 4.287 4.340 -0.009 0.000 0.232 17 R C 1.253 177.550 176.300 -0.006 0.000 1.117 17 R CA 0.976 57.072 56.100 -0.007 0.000 0.981 17 R CB 0.196 30.493 30.300 -0.004 0.000 0.870 17 R HN 0.099 nan 8.270 nan 0.000 0.451 18 R N -1.392 119.104 120.500 -0.007 0.000 2.508 18 R HA 0.246 4.581 4.340 -0.009 0.000 0.300 18 R C 1.519 177.813 176.300 -0.009 0.000 0.970 18 R CA 0.322 56.418 56.100 -0.006 0.000 1.102 18 R CB 0.823 31.120 30.300 -0.004 0.000 1.246 18 R HN 0.086 nan 8.270 nan 0.000 0.539 19 A N 0.929 123.741 122.820 -0.013 0.000 1.902 19 A HA -0.194 4.120 4.320 -0.009 0.000 0.217 19 A C 2.140 179.716 177.584 -0.014 0.000 1.181 19 A CA 2.015 54.040 52.037 -0.019 0.000 0.623 19 A CB -0.479 18.508 19.000 -0.022 0.000 0.818 19 A HN 0.261 nan 8.150 nan 0.000 0.443 20 S N -0.400 115.295 115.700 -0.009 0.000 2.348 20 S HA -0.072 4.393 4.470 -0.009 0.000 0.221 20 S C 2.212 176.813 174.600 0.002 0.000 1.033 20 S CA 1.730 59.927 58.200 -0.004 0.000 1.010 20 S CB -0.529 62.669 63.200 -0.004 0.000 0.891 20 S HN 0.853 nan 8.310 nan 0.000 0.442 21 A N 1.292 124.112 122.820 0.001 0.000 1.933 21 A HA -0.003 4.312 4.320 -0.009 0.000 0.218 21 A C 2.156 179.748 177.584 0.013 0.000 1.175 21 A CA 1.661 53.700 52.037 0.005 0.000 0.628 21 A CB -0.872 18.129 19.000 0.001 0.000 0.814 21 A HN 0.582 nan 8.150 nan 0.000 0.444 22 L N 0.138 121.368 121.223 0.011 0.000 2.046 22 L HA -0.126 4.209 4.340 -0.009 0.000 0.208 22 L C 2.244 179.144 176.870 0.051 0.000 1.077 22 L CA 2.664 57.518 54.840 0.023 0.000 0.747 22 L CB -0.645 41.411 42.059 -0.005 0.000 0.896 22 L HN 0.474 nan 8.230 nan 0.000 0.432 23 K N -0.851 119.566 120.400 0.028 0.000 2.057 23 K HA -0.193 4.122 4.320 -0.009 0.000 0.207 23 K C 1.901 178.546 176.600 0.074 0.000 1.049 23 K CA 1.549 57.864 56.287 0.046 0.000 0.931 23 K CB -0.042 32.467 32.500 0.016 0.000 0.714 23 K HN 0.350 nan 8.250 nan 0.000 0.440 24 E N 1.184 121.410 120.200 0.044 0.000 2.077 24 E HA -0.173 4.171 4.350 -0.009 0.000 0.193 24 E C 1.777 178.398 176.600 0.036 0.000 0.989 24 E CA 1.169 57.589 56.400 0.032 0.000 0.800 24 E CB -0.251 29.457 29.700 0.014 0.000 0.746 24 E HN 0.436 nan 8.360 nan 0.000 0.452 25 D N -0.236 120.190 120.400 0.044 0.000 2.149 25 D HA -0.133 4.501 4.640 -0.009 0.000 0.201 25 D C 1.912 178.241 176.300 0.047 0.000 0.972 25 D CA 0.661 54.679 54.000 0.031 0.000 0.835 25 D CB -0.332 40.484 40.800 0.027 0.000 0.966 25 D HN 0.199 nan 8.370 nan 0.000 0.476 26 Y N 2.010 122.293 120.300 -0.028 0.000 2.200 26 Y HA -0.130 4.415 4.550 -0.009 0.000 0.290 26 Y C 2.122 178.006 175.900 -0.027 0.000 1.137 26 Y CA 1.500 59.583 58.100 -0.028 0.000 1.163 26 Y CB 0.127 38.573 38.460 -0.024 0.000 0.988 26 Y HN -0.055 nan 8.280 nan 0.000 0.518 27 E N -0.308 119.951 120.200 0.098 0.000 2.106 27 E HA -0.171 4.173 4.350 -0.009 0.000 0.192 27 E C 2.335 178.906 176.600 -0.049 0.000 0.984 27 E CA 0.824 57.238 56.400 0.024 0.000 0.806 27 E CB -0.270 29.463 29.700 0.055 0.000 0.750 27 E HN 0.547 nan 8.360 nan 0.000 0.458 28 A N 1.512 124.307 122.820 -0.041 0.000 1.873 28 A HA -0.156 4.159 4.320 -0.009 0.000 0.215 28 A C 2.188 179.716 177.584 -0.093 0.000 1.186 28 A CA 1.002 53.007 52.037 -0.054 0.000 0.616 28 A CB -0.527 18.449 19.000 -0.039 0.000 0.823 28 A HN 0.219 nan 8.150 nan 0.000 0.442 29 L N 0.256 121.401 121.223 -0.131 0.000 2.083 29 L HA 0.003 4.338 4.340 -0.009 0.000 0.209 29 L C 2.325 179.066 176.870 -0.214 0.000 1.083 29 L CA 2.205 56.942 54.840 -0.172 0.000 0.752 29 L CB -1.047 40.888 42.059 -0.207 0.000 0.899 29 L HN 0.296 nan 8.230 nan 0.000 0.433 30 G N -1.136 107.499 108.800 -0.276 0.000 2.432 30 G HA2 -0.217 3.737 3.960 -0.009 0.000 0.219 30 G HA3 -0.217 3.737 3.960 -0.009 0.000 0.219 30 G C 1.552 176.369 174.900 -0.138 0.000 1.135 30 G CA 0.725 45.673 45.100 -0.253 0.000 0.767 30 G HN 0.617 nan 8.290 nan 0.000 0.550 31 A N 0.908 123.665 122.820 -0.104 0.000 1.930 31 A HA -0.025 4.289 4.320 -0.009 0.000 0.215 31 A C 2.183 179.726 177.584 -0.068 0.000 1.176 31 A CA 1.656 53.651 52.037 -0.069 0.000 0.632 31 A CB -0.477 18.492 19.000 -0.051 0.000 0.819 31 A HN 0.423 nan 8.150 nan 0.000 0.445 32 N N 0.520 119.173 118.700 -0.079 0.000 2.142 32 N HA -0.098 4.637 4.740 -0.009 0.000 0.186 32 N C 1.699 177.166 175.510 -0.071 0.000 1.023 32 N CA 1.434 54.442 53.050 -0.071 0.000 0.852 32 N CB -0.233 38.208 38.487 -0.077 0.000 0.998 32 N HN 0.489 nan 8.380 nan 0.000 0.424 33 L N 0.700 121.869 121.223 -0.090 0.000 2.141 33 L HA -0.045 4.290 4.340 -0.009 0.000 0.209 33 L C 2.711 179.542 176.870 -0.066 0.000 1.094 33 L CA 0.940 55.730 54.840 -0.084 0.000 0.763 33 L CB -0.485 41.508 42.059 -0.109 0.000 0.908 33 L HN 0.166 nan 8.230 nan 0.000 0.437 34 A N 0.335 123.116 122.820 -0.065 0.000 1.877 34 A HA -0.205 4.110 4.320 -0.009 0.000 0.216 34 A C 2.356 179.917 177.584 -0.038 0.000 1.186 34 A CA 1.385 53.393 52.037 -0.048 0.000 0.620 34 A CB -0.470 18.503 19.000 -0.045 0.000 0.822 34 A HN 0.311 nan 8.150 nan 0.000 0.443 35 R N -0.819 119.658 120.500 -0.039 0.000 2.193 35 R HA -0.056 4.278 4.340 -0.009 0.000 0.229 35 R C 1.611 177.895 176.300 -0.027 0.000 1.110 35 R CA 1.285 57.367 56.100 -0.030 0.000 0.988 35 R CB -0.174 30.107 30.300 -0.031 0.000 0.871 35 R HN 0.452 nan 8.270 nan 0.000 0.458 36 R N -0.614 119.867 120.500 -0.032 0.000 2.359 36 R HA 0.112 4.446 4.340 -0.009 0.000 0.231 36 R C 0.731 177.016 176.300 -0.024 0.000 0.913 36 R CA 0.461 56.546 56.100 -0.026 0.000 1.075 36 R CB 0.834 31.116 30.300 -0.031 0.000 1.087 36 R HN 0.302 nan 8.270 nan 0.000 0.515 37 G N 0.622 109.407 108.800 -0.027 0.000 2.147 37 G HA2 -0.239 3.716 3.960 -0.009 0.000 0.244 37 G HA3 -0.239 3.716 3.960 -0.009 0.000 0.244 37 G C -0.085 174.798 174.900 -0.028 0.000 1.005 37 G CA 0.092 45.178 45.100 -0.024 0.000 0.713 37 G HN 0.151 nan 8.290 nan 0.000 0.515 38 V N 0.103 119.995 119.914 -0.037 0.000 2.680 38 V HA 0.600 4.715 4.120 -0.009 0.000 0.309 38 V C -0.397 175.668 176.094 -0.049 0.000 1.052 38 V CA -0.704 61.570 62.300 -0.043 0.000 0.908 38 V CB 2.067 33.859 31.823 -0.051 0.000 1.001 38 V HN 0.298 nan 8.190 nan 0.000 0.431 39 D N 2.947 123.321 120.400 -0.042 0.000 2.396 39 D HA 0.237 4.872 4.640 -0.009 0.000 0.225 39 D C 0.966 177.236 176.300 -0.050 0.000 1.121 39 D CA -0.233 53.743 54.000 -0.039 0.000 0.853 39 D CB 1.094 41.882 40.800 -0.019 0.000 1.043 39 D HN 0.531 nan 8.370 nan 0.000 0.500 40 I N 3.195 123.714 120.570 -0.085 0.000 2.315 40 I HA -0.258 3.906 4.170 -0.009 0.000 0.251 40 I C 1.448 177.552 176.117 -0.023 0.000 1.125 40 I CA 1.256 62.483 61.300 -0.121 0.000 1.392 40 I CB 0.345 38.166 38.000 -0.298 0.000 1.065 40 I HN 0.395 nan 8.210 nan 0.000 0.424 41 E N 0.995 121.210 120.200 0.025 0.000 2.077 41 E HA -0.220 4.125 4.350 -0.009 0.000 0.193 41 E C 2.227 178.856 176.600 0.048 0.000 0.989 41 E CA 1.416 57.864 56.400 0.081 0.000 0.800 41 E CB -0.384 29.357 29.700 0.069 0.000 0.746 41 E HN 0.670 nan 8.360 nan 0.000 0.452 42 A N 0.844 123.674 122.820 0.017 0.000 1.930 42 A HA -0.122 4.193 4.320 -0.009 0.000 0.217 42 A C 2.606 180.189 177.584 -0.002 0.000 1.175 42 A CA 1.381 53.423 52.037 0.008 0.000 0.627 42 A CB -0.554 18.443 19.000 -0.004 0.000 0.815 42 A HN 0.139 nan 8.150 nan 0.000 0.443 43 V N -0.308 119.594 119.914 -0.021 0.000 2.358 43 V HA -0.212 3.903 4.120 -0.009 0.000 0.246 43 V C 2.714 178.802 176.094 -0.011 0.000 1.047 43 V CA 2.424 64.695 62.300 -0.049 0.000 1.035 43 V CB -1.357 30.418 31.823 -0.081 0.000 0.658 43 V HN 0.586 nan 8.190 nan 0.000 0.452 44 T N 0.607 115.184 114.554 0.038 0.000 2.746 44 T HA -0.175 4.170 4.350 -0.009 0.000 0.267 44 T C 2.088 176.819 174.700 0.052 0.000 1.039 44 T CA 1.649 63.794 62.100 0.074 0.000 1.142 44 T CB -0.461 68.498 68.868 0.153 0.000 0.866 44 T HN 0.570 nan 8.240 nan 0.000 0.444 45 A N 1.670 124.518 122.820 0.046 0.000 1.908 45 A HA -0.143 4.172 4.320 -0.009 0.000 0.218 45 A C 2.287 179.896 177.584 0.042 0.000 1.181 45 A CA 1.564 53.625 52.037 0.040 0.000 0.627 45 A CB -0.406 18.616 19.000 0.037 0.000 0.818 45 A HN 0.439 nan 8.150 nan 0.000 0.445 46 K N -0.589 119.841 120.400 0.050 0.000 2.062 46 K HA -0.023 4.292 4.320 -0.009 0.000 0.205 46 K C 1.889 178.594 176.600 0.175 0.000 1.051 46 K CA 1.247 57.595 56.287 0.101 0.000 0.941 46 K CB -0.313 32.237 32.500 0.084 0.000 0.719 46 K HN 0.302 nan 8.250 nan 0.000 0.440 47 V N 1.921 121.918 119.914 0.137 0.000 2.407 47 V HA -0.239 3.876 4.120 -0.009 0.000 0.248 47 V C 1.892 178.021 176.094 0.058 0.000 1.055 47 V CA 1.752 64.146 62.300 0.157 0.000 1.049 47 V CB -0.432 31.430 31.823 0.064 0.000 0.662 47 V HN 0.342 nan 8.190 nan 0.000 0.455 48 E N -0.254 119.960 120.200 0.024 0.000 2.209 48 E HA -0.199 4.146 4.350 -0.009 0.000 0.196 48 E C 1.777 178.293 176.600 -0.139 0.000 0.993 48 E CA 0.780 57.179 56.400 -0.003 0.000 0.819 48 E CB 0.002 29.718 29.700 0.028 0.000 0.745 48 E HN 0.411 nan 8.360 nan 0.000 0.477 49 K N -0.109 120.156 120.400 -0.225 0.000 2.374 49 K HA 0.072 4.387 4.320 -0.009 0.000 0.196 49 K C -0.142 175.877 176.600 -0.969 0.000 1.023 49 K CA -0.100 55.860 56.287 -0.545 0.000 1.103 49 K CB 0.025 32.400 32.500 -0.209 0.000 0.848 49 K HN 0.023 nan 8.250 nan 0.000 0.528 50 F N 1.524 120.995 119.950 -0.798 0.000 2.424 50 F HA 0.285 4.807 4.527 -0.009 0.000 0.356 50 F C -0.588 174.793 175.800 -0.700 0.000 1.110 50 F CA -0.923 56.614 58.000 -0.772 0.000 1.161 50 F CB 0.274 38.814 39.000 -0.766 0.000 1.115 50 F HN -0.223 nan 8.300 nan 0.000 0.507 51 F N 5.193 124.693 119.950 -0.749 0.000 2.546 51 F HA 0.676 5.198 4.527 -0.009 0.000 0.320 51 F C -0.555 174.944 175.800 -0.500 0.000 1.076 51 F CA -1.417 56.318 58.000 -0.441 0.000 0.928 51 F CB 1.604 40.456 39.000 -0.246 0.000 1.189 51 F HN 0.207 nan 8.300 nan 0.000 0.465 52 V N 1.976 121.894 119.914 0.008 0.000 2.760 52 V HA 0.852 4.967 4.120 -0.009 0.000 0.309 52 V C -0.721 175.422 176.094 0.082 0.000 1.077 52 V CA -0.811 61.536 62.300 0.079 0.000 0.910 52 V CB 1.578 33.497 31.823 0.159 0.000 1.008 52 V HN 1.034 nan 8.190 nan 0.000 0.424 53 A N 5.277 128.156 122.820 0.099 0.000 2.440 53 A HA 0.613 4.928 4.320 -0.009 0.000 0.251 53 A C -0.177 177.409 177.584 0.004 0.000 1.089 53 A CA 0.130 52.193 52.037 0.042 0.000 0.779 53 A CB 1.059 20.100 19.000 0.067 0.000 1.022 53 A HN 1.500 nan 8.150 nan 0.000 0.492 54 V N 4.739 124.622 119.914 -0.051 0.000 2.481 54 V HA 0.558 4.673 4.120 -0.009 0.000 0.286 54 V C -2.241 173.730 176.094 -0.205 0.000 1.042 54 V CA -2.201 60.032 62.300 -0.110 0.000 0.928 54 V CB 1.799 33.563 31.823 -0.099 0.000 0.986 54 V HN 0.846 nan 8.190 nan 0.000 0.462 55 P HA 0.179 nan 4.420 nan 0.000 0.281 55 P C 0.623 177.609 177.300 -0.524 0.000 1.252 55 P CA -0.069 62.498 63.100 -0.888 0.000 0.778 55 P CB 1.555 32.215 31.700 -1.734 0.000 0.895 56 S N 2.679 118.273 115.700 -0.176 0.000 2.399 56 S HA -0.171 4.294 4.470 -0.009 0.000 0.231 56 S C 1.389 176.092 174.600 0.173 0.000 1.022 56 S CA 0.650 58.916 58.200 0.111 0.000 0.983 56 S CB -1.342 62.049 63.200 0.318 0.000 0.803 56 S HN 0.715 nan 8.310 nan 0.000 0.480 57 W N 1.486 122.917 121.300 0.219 0.000 3.292 57 W HA 0.648 5.303 4.660 -0.008 0.000 0.263 57 W C 1.432 178.018 176.519 0.112 0.000 1.318 57 W CA -0.403 57.039 57.345 0.163 0.000 1.663 57 W CB -0.507 29.127 29.460 0.290 0.000 1.114 57 W HN 0.188 nan 8.180 nan 0.000 0.706 58 G N 0.897 109.588 108.800 -0.181 0.000 2.833 58 G HA2 -0.003 3.952 3.960 -0.009 0.000 0.210 58 G HA3 -0.003 3.952 3.960 -0.009 0.000 0.210 58 G C 1.122 176.095 174.900 0.120 0.000 1.139 58 G CA 0.639 45.719 45.100 -0.032 0.000 0.771 58 G HN 0.356 nan 8.290 nan 0.000 0.535 59 V N -1.137 118.801 119.914 0.041 0.000 3.306 59 V HA 0.381 4.496 4.120 -0.009 0.000 0.264 59 V C 1.301 177.441 176.094 0.078 0.000 1.149 59 V CA 0.351 62.673 62.300 0.037 0.000 1.143 59 V CB -0.635 31.205 31.823 0.028 0.000 0.767 59 V HN 0.195 nan 8.190 nan 0.000 0.476 60 G N 0.029 108.887 108.800 0.097 0.000 2.477 60 G HA2 0.484 4.438 3.960 -0.009 0.000 0.304 60 G HA3 0.484 4.438 3.960 -0.009 0.000 0.304 60 G C -0.350 174.618 174.900 0.113 0.000 1.175 60 G CA -0.315 44.838 45.100 0.088 0.000 0.907 60 G HN 0.196 nan 8.290 nan 0.000 0.509 61 T N 0.401 115.014 114.554 0.099 0.000 2.901 61 T HA 0.473 4.818 4.350 -0.009 0.000 0.301 61 T C 0.943 175.699 174.700 0.094 0.000 1.012 61 T CA 0.449 62.620 62.100 0.119 0.000 1.135 61 T CB 1.139 70.076 68.868 0.116 0.000 0.936 61 T HN 0.709 nan 8.240 nan 0.000 0.539 62 G N 0.960 109.823 108.800 0.104 0.000 2.522 62 G HA2 0.718 4.673 3.960 -0.009 0.000 0.304 62 G HA3 0.718 4.673 3.960 -0.009 0.000 0.304 62 G C -0.081 174.867 174.900 0.080 0.000 1.210 62 G CA -0.411 44.731 45.100 0.070 0.000 0.960 62 G HN 0.968 nan 8.290 nan 0.000 0.497 63 G N -1.852 106.985 108.800 0.061 0.000 2.721 63 G HA2 0.728 4.682 3.960 -0.009 0.000 0.296 63 G HA3 0.728 4.682 3.960 -0.009 0.000 0.296 63 G C -0.434 174.512 174.900 0.075 0.000 1.383 63 G CA 0.351 45.494 45.100 0.073 0.000 0.788 63 G HN 1.130 nan 8.290 nan 0.000 0.500 64 T N -3.056 111.554 114.554 0.094 0.000 2.807 64 T HA 0.441 4.786 4.350 -0.009 0.000 0.277 64 T C 1.422 176.136 174.700 0.024 0.000 1.006 64 T CA -0.182 61.977 62.100 0.098 0.000 1.006 64 T CB 1.689 70.681 68.868 0.207 0.000 1.274 64 T HN 0.787 nan 8.240 nan 0.000 0.569 65 R N -0.566 119.890 120.500 -0.073 0.000 2.237 65 R HA 0.078 4.413 4.340 -0.009 0.000 0.219 65 R C 1.169 177.284 176.300 -0.308 0.000 1.080 65 R CA 1.172 57.139 56.100 -0.221 0.000 0.995 65 R CB -0.737 29.360 30.300 -0.337 0.000 0.875 65 R HN 0.504 nan 8.270 nan 0.000 0.462 66 F N 0.929 120.892 119.950 0.022 0.000 2.387 66 F HA 0.369 4.891 4.527 -0.009 0.000 0.294 66 F C 1.130 176.908 175.800 -0.036 0.000 1.093 66 F CA 0.623 58.630 58.000 0.011 0.000 1.420 66 F CB 0.329 39.353 39.000 0.041 0.000 1.086 66 F HN 0.228 nan 8.300 nan 0.000 0.531 67 A N -0.451 122.421 122.820 0.086 0.000 2.549 67 A HA 0.630 4.944 4.320 -0.009 0.000 0.291 67 A C -1.233 176.200 177.584 -0.252 0.000 1.034 67 A CA -0.869 51.066 52.037 -0.171 0.000 0.655 67 A CB 0.945 19.729 19.000 -0.360 0.000 1.299 67 A HN 0.050 nan 8.150 nan 0.000 0.427 68 R N 0.209 120.447 120.500 -0.437 0.000 2.575 68 R HA 0.698 5.033 4.340 -0.009 0.000 0.293 68 R C -2.085 173.949 176.300 -0.442 0.000 0.983 68 R CA -0.490 55.448 56.100 -0.270 0.000 0.887 68 R CB 0.877 31.103 30.300 -0.124 0.000 1.184 68 R HN 0.582 nan 8.270 nan 0.000 0.445 69 F N 5.668 125.646 119.950 0.047 0.000 2.371 69 F HA 0.330 4.852 4.527 -0.009 0.000 0.343 69 F C -1.600 174.226 175.800 0.043 0.000 1.150 69 F CA -1.968 56.058 58.000 0.044 0.000 1.220 69 F CB 1.000 40.027 39.000 0.045 0.000 1.475 69 F HN 0.305 nan 8.300 nan 0.000 0.521 70 P HA 0.118 nan 4.420 nan 0.000 0.266 70 P C 0.400 177.771 177.300 0.118 0.000 1.193 70 P CA 0.191 63.356 63.100 0.109 0.000 0.770 70 P CB 1.323 33.060 31.700 0.062 0.000 0.836 71 G N 1.461 110.322 108.800 0.102 0.000 2.543 71 G HA2 0.522 4.477 3.960 -0.009 0.000 0.267 71 G HA3 0.522 4.477 3.960 -0.009 0.000 0.267 71 G C -0.274 174.668 174.900 0.071 0.000 1.406 71 G CA -0.369 44.785 45.100 0.090 0.000 1.048 71 G HN 0.675 nan 8.290 nan 0.000 0.548 72 T N -3.539 111.052 114.554 0.061 0.000 2.913 72 T HA 0.457 4.802 4.350 -0.009 0.000 0.287 72 T C 1.184 175.909 174.700 0.042 0.000 1.008 72 T CA 0.716 62.841 62.100 0.043 0.000 1.067 72 T CB 1.102 69.988 68.868 0.030 0.000 0.996 72 T HN 2.176 nan 8.240 nan 0.000 0.513 73 G N 1.302 110.117 108.800 0.024 0.000 2.273 73 G HA2 -0.202 3.753 3.960 -0.009 0.000 0.280 73 G HA3 -0.202 3.753 3.960 -0.009 0.000 0.280 73 G C -0.074 174.852 174.900 0.043 0.000 1.047 73 G CA -0.166 44.943 45.100 0.015 0.000 0.869 73 G HN 0.884 nan 8.290 nan 0.000 0.502 74 E N 1.072 121.301 120.200 0.048 0.000 2.415 74 E HA 0.156 4.501 4.350 -0.009 0.000 0.260 74 E C -1.664 174.970 176.600 0.057 0.000 1.016 74 E CA -1.246 55.188 56.400 0.057 0.000 0.924 74 E CB 0.834 30.562 29.700 0.048 0.000 0.961 74 E HN 0.388 nan 8.360 nan 0.000 0.459 75 P HA 0.100 nan 4.420 nan 0.000 0.271 75 P C -0.449 176.890 177.300 0.064 0.000 1.220 75 P CA -0.180 62.967 63.100 0.079 0.000 0.768 75 P CB 0.700 32.459 31.700 0.099 0.000 0.848 76 R N 2.305 122.846 120.500 0.068 0.000 2.360 76 R HA 0.654 4.989 4.340 -0.009 0.000 0.318 76 R C 0.593 176.936 176.300 0.072 0.000 0.950 76 R CA -0.352 55.782 56.100 0.056 0.000 0.837 76 R CB 0.960 31.290 30.300 0.050 0.000 1.165 76 R HN 0.903 nan 8.270 nan 0.000 0.458 77 G N 1.653 110.486 108.800 0.055 0.000 2.690 77 G HA2 -0.229 3.726 3.960 -0.009 0.000 0.686 77 G HA3 -0.229 3.726 3.960 -0.009 0.000 0.686 77 G C 0.528 175.441 174.900 0.022 0.000 1.277 77 G CA -0.271 44.854 45.100 0.042 0.000 0.799 77 G HN 0.637 nan 8.290 nan 0.000 0.613 78 I N 0.101 120.619 120.570 -0.087 0.000 2.361 78 I HA -0.035 4.130 4.170 -0.009 0.000 0.251 78 I C 2.431 178.498 176.117 -0.083 0.000 1.133 78 I CA 1.740 62.974 61.300 -0.110 0.000 1.413 78 I CB -0.198 37.673 38.000 -0.215 0.000 1.073 78 I HN 0.506 nan 8.210 nan 0.000 0.424 79 F N 1.148 121.165 119.950 0.111 0.000 2.146 79 F HA -0.196 4.326 4.527 -0.008 0.000 0.298 79 F C 2.262 178.120 175.800 0.096 0.000 1.096 79 F CA 1.188 59.249 58.000 0.101 0.000 1.275 79 F CB -1.038 38.011 39.000 0.082 0.000 1.008 79 F HN 0.126 nan 8.300 nan 0.000 0.480 80 D N 0.316 120.866 120.400 0.251 0.000 2.117 80 D HA -0.126 4.509 4.640 -0.009 0.000 0.198 80 D C 2.129 178.525 176.300 0.160 0.000 0.982 80 D CA 1.127 55.236 54.000 0.182 0.000 0.828 80 D CB -0.281 40.602 40.800 0.138 0.000 0.967 80 D HN 0.252 nan 8.370 nan 0.000 0.464 81 K N 0.206 120.688 120.400 0.137 0.000 2.057 81 K HA -0.042 4.272 4.320 -0.009 0.000 0.207 81 K C 2.309 178.980 176.600 0.118 0.000 1.049 81 K CA 0.545 56.903 56.287 0.119 0.000 0.931 81 K CB -0.083 32.485 32.500 0.113 0.000 0.714 81 K HN 0.145 nan 8.250 nan 0.000 0.440 82 L N 1.114 122.421 121.223 0.141 0.000 2.046 82 L HA -0.213 4.122 4.340 -0.009 0.000 0.208 82 L C 1.891 178.825 176.870 0.106 0.000 1.077 82 L CA 1.076 55.994 54.840 0.130 0.000 0.747 82 L CB -0.478 41.695 42.059 0.190 0.000 0.896 82 L HN 0.181 nan 8.230 nan 0.000 0.432 83 D N 0.157 120.644 120.400 0.146 0.000 2.123 83 D HA -0.195 4.440 4.640 -0.009 0.000 0.196 83 D C 1.752 178.135 176.300 0.139 0.000 0.992 83 D CA 1.350 55.438 54.000 0.148 0.000 0.833 83 D CB -0.193 40.723 40.800 0.194 0.000 0.954 83 D HN 0.310 nan 8.370 nan 0.000 0.455 84 D N -0.456 120.037 120.400 0.155 0.000 2.149 84 D HA -0.066 4.569 4.640 -0.009 0.000 0.201 84 D C 2.166 178.465 176.300 -0.002 0.000 0.972 84 D CA 0.382 54.458 54.000 0.126 0.000 0.835 84 D CB -0.505 40.393 40.800 0.163 0.000 0.966 84 D HN 0.208 nan 8.370 nan 0.000 0.476 85 C N 1.005 120.306 119.300 0.001 0.000 2.422 85 C HA -0.017 4.437 4.460 -0.009 0.000 0.279 85 C C 2.850 177.791 174.990 -0.081 0.000 1.305 85 C CA 0.676 59.665 59.018 -0.048 0.000 1.757 85 C CB -0.980 26.740 27.740 -0.033 0.000 1.962 85 C HN 0.358 nan 8.230 nan 0.000 0.499 86 A N 0.252 123.032 122.820 -0.067 0.000 1.940 86 A HA -0.114 4.200 4.320 -0.009 0.000 0.219 86 A C 2.258 179.766 177.584 -0.126 0.000 1.176 86 A CA 2.098 54.078 52.037 -0.095 0.000 0.631 86 A CB -0.638 18.322 19.000 -0.067 0.000 0.814 86 A HN 0.385 nan 8.150 nan 0.000 0.446 87 V N 0.224 120.039 119.914 -0.165 0.000 2.343 87 V HA -0.282 3.833 4.120 -0.009 0.000 0.247 87 V C 2.412 178.409 176.094 -0.161 0.000 1.051 87 V CA 2.091 64.257 62.300 -0.223 0.000 1.036 87 V CB -0.698 30.876 31.823 -0.416 0.000 0.654 87 V HN 0.596 nan 8.190 nan 0.000 0.451 88 I N 0.008 120.481 120.570 -0.162 0.000 2.226 88 I HA -0.291 3.874 4.170 -0.009 0.000 0.245 88 I C 2.643 178.697 176.117 -0.105 0.000 1.100 88 I CA 1.848 63.061 61.300 -0.144 0.000 1.374 88 I CB -0.433 37.482 38.000 -0.142 0.000 1.057 88 I HN 0.357 nan 8.210 nan 0.000 0.413 89 Q N 1.170 120.906 119.800 -0.107 0.000 2.079 89 Q HA -0.251 4.084 4.340 -0.009 0.000 0.200 89 Q C 2.125 178.075 176.000 -0.084 0.000 0.974 89 Q CA 1.733 57.475 55.803 -0.102 0.000 0.840 89 Q CB -0.394 28.262 28.738 -0.136 0.000 0.898 89 Q HN 0.482 nan 8.270 nan 0.000 0.430 90 Q N -0.594 119.154 119.800 -0.087 0.000 2.084 90 Q HA -0.118 4.217 4.340 -0.009 0.000 0.202 90 Q C 1.914 177.905 176.000 -0.016 0.000 0.978 90 Q CA 1.602 57.373 55.803 -0.053 0.000 0.844 90 Q CB -0.024 28.689 28.738 -0.042 0.000 0.898 90 Q HN 0.519 nan 8.270 nan 0.000 0.426 91 L N -0.522 120.685 121.223 -0.027 0.000 2.270 91 L HA -0.031 4.304 4.340 -0.009 0.000 0.210 91 L C 2.414 179.278 176.870 -0.011 0.000 1.104 91 L CA 1.403 56.237 54.840 -0.009 0.000 0.804 91 L CB -0.210 41.842 42.059 -0.012 0.000 0.937 91 L HN 0.353 nan 8.230 nan 0.000 0.450 92 T N -5.237 109.304 114.554 -0.022 0.000 3.000 92 T HA 0.080 4.424 4.350 -0.009 0.000 0.248 92 T C 1.136 175.851 174.700 0.024 0.000 1.034 92 T CA -0.385 61.712 62.100 -0.006 0.000 1.060 92 T CB 0.249 69.106 68.868 -0.018 0.000 0.983 92 T HN 0.081 nan 8.240 nan 0.000 0.482 93 R N 0.475 120.985 120.500 0.016 0.000 3.863 93 R HA -0.165 4.170 4.340 -0.009 0.000 0.313 93 R C 0.891 177.278 176.300 0.146 0.000 1.202 93 R CA 0.877 57.005 56.100 0.047 0.000 0.852 93 R CB -2.420 27.921 30.300 0.069 0.000 1.292 93 R HN 0.717 nan 8.270 nan 0.000 0.519 94 A N -0.379 122.512 122.820 0.118 0.000 2.431 94 A HA 0.150 4.465 4.320 -0.009 0.000 0.239 94 A C 0.918 178.596 177.584 0.157 0.000 1.230 94 A CA 0.846 53.015 52.037 0.221 0.000 0.928 94 A CB 0.495 19.572 19.000 0.128 0.000 1.006 94 A HN 0.294 nan 8.150 nan 0.000 0.520 95 T N -2.461 112.100 114.554 0.012 0.000 3.514 95 T HA 0.340 4.684 4.350 -0.009 0.000 0.259 95 T C -1.860 172.745 174.700 -0.158 0.000 1.466 95 T CA -1.022 61.045 62.100 -0.055 0.000 1.562 95 T CB 0.918 69.754 68.868 -0.053 0.000 0.924 95 T HN 0.104 nan 8.240 nan 0.000 0.678 96 P HA 0.010 nan 4.420 nan 0.000 0.226 96 P C -0.197 176.927 177.300 -0.293 0.000 1.153 96 P CA 0.514 63.400 63.100 -0.357 0.000 0.777 96 P CB 0.241 31.572 31.700 -0.615 0.000 0.794 97 N N -0.308 118.257 118.700 -0.226 0.000 2.319 97 N HA 0.331 5.065 4.740 -0.009 0.000 0.305 97 N C -0.819 174.620 175.510 -0.119 0.000 1.103 97 N CA -0.609 52.328 53.050 -0.189 0.000 0.815 97 N CB 2.705 41.120 38.487 -0.120 0.000 1.288 97 N HN -0.241 nan 8.380 nan 0.000 0.493 98 V N 0.783 120.632 119.914 -0.108 0.000 2.581 98 V HA 0.385 4.500 4.120 -0.009 0.000 0.303 98 V C 0.098 176.285 176.094 0.155 0.000 1.041 98 V CA -0.678 61.627 62.300 0.008 0.000 0.907 98 V CB 1.864 33.706 31.823 0.032 0.000 0.994 98 V HN 0.598 nan 8.190 nan 0.000 0.442 99 S N 4.725 120.505 115.700 0.133 0.000 2.457 99 S HA 0.621 5.086 4.470 -0.009 0.000 0.289 99 S C -0.505 174.317 174.600 0.371 0.000 1.163 99 S CA -0.419 57.926 58.200 0.241 0.000 1.078 99 S CB 0.916 64.248 63.200 0.219 0.000 0.987 99 S HN 0.395 nan 8.310 nan 0.000 0.482 100 L N 3.295 124.736 121.223 0.364 0.000 2.360 100 L HA 0.490 4.825 4.340 -0.009 0.000 0.271 100 L C 0.104 177.190 176.870 0.361 0.000 1.057 100 L CA -0.143 54.910 54.840 0.354 0.000 0.803 100 L CB 0.825 42.985 42.059 0.167 0.000 1.207 100 L HN 0.635 nan 8.230 nan 0.000 0.445 101 H N 2.638 121.894 119.070 0.310 0.000 2.609 101 H HA 0.512 5.063 4.556 -0.009 0.000 0.344 101 H C -1.222 174.112 175.328 0.011 0.000 1.040 101 H CA -0.574 55.537 56.048 0.104 0.000 1.216 101 H CB 1.574 31.367 29.762 0.052 0.000 1.529 101 H HN 0.294 nan 8.280 nan 0.000 0.519 102 I N 7.101 127.704 120.570 0.056 0.000 2.412 102 I HA 0.233 4.397 4.170 -0.009 0.000 0.296 102 I C -1.511 174.637 176.117 0.053 0.000 0.987 102 I CA -2.301 59.037 61.300 0.063 0.000 1.180 102 I CB 1.809 39.809 38.000 -0.001 0.000 1.340 102 I HN 0.424 nan 8.210 nan 0.000 0.455 103 P HA -0.043 nan 4.420 nan 0.000 0.249 103 P C 0.985 178.396 177.300 0.186 0.000 1.229 103 P CA 0.460 63.614 63.100 0.089 0.000 0.788 103 P CB 0.155 31.902 31.700 0.079 0.000 1.072 104 W N 1.974 123.329 121.300 0.091 0.000 2.304 104 W HA -0.125 4.530 4.660 -0.008 0.000 0.315 104 W C 1.020 177.578 176.519 0.065 0.000 1.233 104 W CA 1.173 58.560 57.345 0.071 0.000 1.261 104 W CB -1.756 27.753 29.460 0.082 0.000 1.150 104 W HN 0.119 nan 8.180 nan 0.000 0.494 105 D N -0.310 120.280 120.400 0.316 0.000 2.358 105 D HA 0.023 4.658 4.640 -0.009 0.000 0.224 105 D C 0.401 176.725 176.300 0.040 0.000 1.123 105 D CA 0.089 54.182 54.000 0.155 0.000 0.833 105 D CB -0.239 40.670 40.800 0.182 0.000 0.946 105 D HN 0.069 nan 8.370 nan 0.000 0.505 106 K N 1.135 121.571 120.400 0.060 0.000 2.489 106 K HA 0.301 4.616 4.320 -0.009 0.000 0.278 106 K C -0.361 176.227 176.600 -0.021 0.000 1.000 106 K CA 0.129 56.427 56.287 0.018 0.000 1.012 106 K CB 0.438 32.964 32.500 0.044 0.000 0.903 106 K HN 0.087 nan 8.250 nan 0.000 0.485 107 A N 3.319 126.121 122.820 -0.029 0.000 2.544 107 A HA 0.154 4.468 4.320 -0.009 0.000 0.291 107 A C -1.710 175.891 177.584 0.028 0.000 1.055 107 A CA -0.900 51.132 52.037 -0.008 0.000 0.651 107 A CB 0.723 19.649 19.000 -0.123 0.000 1.296 107 A HN 0.787 nan 8.150 nan 0.000 0.431 108 D N 0.936 121.389 120.400 0.088 0.000 2.451 108 D HA 0.323 4.957 4.640 -0.009 0.000 0.254 108 D C -1.457 174.879 176.300 0.059 0.000 1.204 108 D CA -0.726 53.318 54.000 0.073 0.000 0.896 108 D CB 0.877 41.733 40.800 0.094 0.000 1.136 108 D HN 0.108 nan 8.370 nan 0.000 0.499 109 P HA -0.226 nan 4.420 nan 0.000 0.216 109 P C 0.899 178.214 177.300 0.025 0.000 1.157 109 P CA 1.758 64.850 63.100 -0.013 0.000 0.880 109 P CB 0.143 31.830 31.700 -0.023 0.000 0.791 110 K N -0.321 120.105 120.400 0.043 0.000 2.074 110 K HA -0.209 4.106 4.320 -0.009 0.000 0.209 110 K C 2.151 178.805 176.600 0.091 0.000 1.048 110 K CA 1.510 57.832 56.287 0.058 0.000 0.926 110 K CB -0.457 32.072 32.500 0.047 0.000 0.713 110 K HN 0.276 nan 8.250 nan 0.000 0.444 111 E N 0.823 121.095 120.200 0.120 0.000 2.106 111 E HA -0.130 4.215 4.350 -0.009 0.000 0.192 111 E C 2.107 178.872 176.600 0.274 0.000 0.984 111 E CA 0.696 57.202 56.400 0.177 0.000 0.806 111 E CB 0.011 29.853 29.700 0.236 0.000 0.750 111 E HN 0.228 nan 8.360 nan 0.000 0.458 112 L N 0.645 122.012 121.223 0.239 0.000 1.994 112 L HA -0.214 4.121 4.340 -0.009 0.000 0.208 112 L C 2.567 179.619 176.870 0.303 0.000 1.071 112 L CA 1.149 56.126 54.840 0.229 0.000 0.745 112 L CB -0.372 41.657 42.059 -0.051 0.000 0.892 112 L HN 0.021 nan 8.230 nan 0.000 0.431 113 K N 0.527 121.051 120.400 0.207 0.000 2.063 113 K HA -0.160 4.155 4.320 -0.009 0.000 0.208 113 K C 1.983 178.722 176.600 0.231 0.000 1.048 113 K CA 1.658 58.119 56.287 0.290 0.000 0.928 113 K CB -0.359 32.239 32.500 0.164 0.000 0.713 113 K HN 0.263 nan 8.250 nan 0.000 0.442 114 A N 0.360 123.280 122.820 0.167 0.000 1.898 114 A HA -0.119 4.196 4.320 -0.009 0.000 0.216 114 A C 2.177 179.832 177.584 0.118 0.000 1.181 114 A CA 1.738 53.844 52.037 0.114 0.000 0.620 114 A CB -0.539 18.509 19.000 0.080 0.000 0.819 114 A HN 0.281 nan 8.150 nan 0.000 0.442 115 R N 0.076 120.684 120.500 0.179 0.000 2.075 115 R HA -0.022 4.313 4.340 -0.009 0.000 0.232 115 R C 2.159 178.545 176.300 0.145 0.000 1.126 115 R CA 1.782 57.987 56.100 0.175 0.000 0.963 115 R CB -1.367 29.119 30.300 0.310 0.000 0.858 115 R HN 0.393 nan 8.270 nan 0.000 0.435 116 G N 0.371 109.290 108.800 0.198 0.000 2.459 116 G HA2 -0.258 3.696 3.960 -0.009 0.000 0.217 116 G HA3 -0.258 3.696 3.960 -0.009 0.000 0.217 116 G C 1.020 175.891 174.900 -0.049 0.000 1.183 116 G CA 1.022 46.132 45.100 0.017 0.000 0.776 116 G HN 0.336 nan 8.290 nan 0.000 0.552 117 D N 1.109 121.515 120.400 0.010 0.000 2.149 117 D HA -0.083 4.552 4.640 -0.009 0.000 0.198 117 D C 2.797 179.076 176.300 -0.035 0.000 0.990 117 D CA 1.284 55.273 54.000 -0.019 0.000 0.839 117 D CB -0.466 40.344 40.800 0.017 0.000 0.948 117 D HN 0.322 nan 8.370 nan 0.000 0.460 118 A N 0.436 123.250 122.820 -0.010 0.000 1.933 118 A HA -0.083 4.231 4.320 -0.009 0.000 0.218 118 A C 2.259 179.808 177.584 -0.058 0.000 1.175 118 A CA 0.846 52.870 52.037 -0.022 0.000 0.628 118 A CB -0.550 18.452 19.000 0.004 0.000 0.814 118 A HN 0.231 nan 8.150 nan 0.000 0.444 119 L N -1.362 119.825 121.223 -0.060 0.000 2.567 119 L HA 0.234 4.569 4.340 -0.009 0.000 0.225 119 L C 1.446 178.224 176.870 -0.153 0.000 1.119 119 L CA 0.461 55.243 54.840 -0.096 0.000 0.871 119 L CB -0.080 41.946 42.059 -0.055 0.000 1.036 119 L HN 0.554 nan 8.230 nan 0.000 0.459 120 G N 1.109 109.817 108.800 -0.153 0.000 2.212 120 G HA2 -0.247 3.708 3.960 -0.009 0.000 0.255 120 G HA3 -0.247 3.708 3.960 -0.009 0.000 0.255 120 G C -0.246 174.528 174.900 -0.209 0.000 1.062 120 G CA -0.132 44.861 45.100 -0.179 0.000 0.815 120 G HN 0.218 nan 8.290 nan 0.000 0.497 121 L N -0.450 120.633 121.223 -0.234 0.000 2.381 121 L HA 0.820 5.155 4.340 -0.009 0.000 0.268 121 L C 0.947 177.534 176.870 -0.472 0.000 0.997 121 L CA -0.580 54.065 54.840 -0.326 0.000 0.818 121 L CB 2.062 43.930 42.059 -0.318 0.000 1.310 121 L HN 0.251 nan 8.230 nan 0.000 0.416 122 G N 0.619 109.128 108.800 -0.485 0.000 2.753 122 G HA2 0.738 4.693 3.960 -0.009 0.000 0.285 122 G HA3 0.738 4.693 3.960 -0.009 0.000 0.285 122 G C -1.508 172.954 174.900 -0.730 0.000 1.344 122 G CA -0.375 44.421 45.100 -0.506 0.000 1.050 122 G HN 0.259 nan 8.290 nan 0.000 0.532 123 F N -0.108 119.826 119.950 -0.028 0.000 2.518 123 F HA 0.374 4.896 4.527 -0.009 0.000 0.323 123 F C 0.305 176.088 175.800 -0.029 0.000 1.129 123 F CA -0.935 57.058 58.000 -0.012 0.000 0.920 123 F CB 2.183 41.189 39.000 0.009 0.000 1.160 123 F HN 0.347 nan 8.300 nan 0.000 0.440 124 D N 1.173 121.669 120.400 0.160 0.000 2.496 124 D HA 0.524 5.159 4.640 -0.009 0.000 0.283 124 D C -0.060 176.286 176.300 0.077 0.000 1.214 124 D CA -0.248 53.805 54.000 0.089 0.000 1.089 124 D CB 1.390 42.249 40.800 0.099 0.000 1.141 124 D HN 0.624 nan 8.370 nan 0.000 0.580 125 A N 0.611 123.476 122.820 0.076 0.000 2.561 125 A HA 0.121 4.436 4.320 -0.009 0.000 0.234 125 A C 0.620 178.261 177.584 0.095 0.000 1.055 125 A CA 0.178 52.240 52.037 0.042 0.000 0.756 125 A CB 0.001 19.110 19.000 0.183 0.000 0.986 125 A HN 0.418 nan 8.150 nan 0.000 0.505 126 M N 2.042 121.667 119.600 0.042 0.000 2.228 126 M HA 0.223 4.698 4.480 -0.009 0.000 0.326 126 M C 0.061 176.379 176.300 0.030 0.000 1.122 126 M CA 0.121 55.457 55.300 0.061 0.000 1.161 126 M CB 0.246 32.892 32.600 0.077 0.000 1.437 126 M HN 0.672 nan 8.290 nan 0.000 0.465 127 N N 0.817 119.464 118.700 -0.089 0.000 2.399 127 N HA 0.323 5.057 4.740 -0.009 0.000 0.284 127 N C -0.933 174.319 175.510 -0.430 0.000 1.025 127 N CA -0.219 52.648 53.050 -0.305 0.000 0.885 127 N CB 1.887 39.987 38.487 -0.646 0.000 1.339 127 N HN 0.631 nan 8.380 nan 0.000 0.487 128 S N 1.501 117.077 115.700 -0.207 0.000 2.652 128 S HA 0.363 4.827 4.470 -0.009 0.000 0.270 128 S C -0.030 174.587 174.600 0.028 0.000 1.243 128 S CA -0.722 57.454 58.200 -0.040 0.000 0.999 128 S CB 1.611 64.816 63.200 0.008 0.000 0.973 128 S HN 0.548 nan 8.310 nan 0.000 0.544 129 N N 0.766 119.522 118.700 0.094 0.000 2.617 129 N HA 0.251 4.985 4.740 -0.009 0.000 0.263 129 N C -0.664 174.439 175.510 -0.679 0.000 1.074 129 N CA -0.362 52.387 53.050 -0.502 0.000 0.841 129 N CB 1.313 39.343 38.487 -0.762 0.000 1.221 129 N HN 0.859 nan 8.380 nan 0.000 0.529 130 T N 0.016 114.216 114.554 -0.589 0.000 3.380 130 T HA 0.225 4.570 4.350 -0.009 0.000 0.289 130 T C 0.391 174.765 174.700 -0.543 0.000 1.012 130 T CA -0.495 61.137 62.100 -0.781 0.000 0.944 130 T CB -1.212 67.058 68.868 -0.997 0.000 1.172 130 T HN 0.256 nan 8.240 nan 0.000 0.502 131 F N 0.375 120.198 119.950 -0.213 0.000 2.683 131 F HA 0.665 5.186 4.527 -0.009 0.000 0.306 131 F C 0.122 175.934 175.800 0.020 0.000 1.102 131 F CA -1.076 56.836 58.000 -0.147 0.000 1.244 131 F CB -0.201 38.662 39.000 -0.228 0.000 1.029 131 F HN 0.310 nan 8.300 nan 0.000 0.545 132 S N -1.251 114.421 115.700 -0.046 0.000 2.565 132 S HA 0.492 4.957 4.470 -0.009 0.000 0.269 132 S C -1.760 172.861 174.600 0.034 0.000 1.153 132 S CA -0.931 57.298 58.200 0.048 0.000 0.835 132 S CB 2.084 65.312 63.200 0.047 0.000 1.122 132 S HN 0.010 nan 8.310 nan 0.000 0.462 133 D N 1.303 121.706 120.400 0.006 0.000 2.198 133 D HA 0.680 5.315 4.640 -0.009 0.000 0.245 133 D C 0.005 176.268 176.300 -0.063 0.000 1.079 133 D CA 0.011 53.961 54.000 -0.083 0.000 0.854 133 D CB 1.702 42.436 40.800 -0.110 0.000 1.148 133 D HN 0.859 nan 8.370 nan 0.000 0.456 134 A N 3.069 125.832 122.820 -0.095 0.000 2.295 134 A HA 0.620 4.935 4.320 -0.009 0.000 0.318 134 A C -2.329 175.219 177.584 -0.060 0.000 1.134 134 A CA -1.384 50.621 52.037 -0.054 0.000 0.827 134 A CB 0.295 19.260 19.000 -0.058 0.000 1.136 134 A HN 0.318 nan 8.150 nan 0.000 0.493 135 P HA 0.277 nan 4.420 nan 0.000 0.265 135 P C 1.015 178.285 177.300 -0.048 0.000 1.193 135 P CA 1.917 64.996 63.100 -0.034 0.000 0.765 135 P CB 0.647 32.339 31.700 -0.013 0.000 0.823 136 G N 1.610 110.373 108.800 -0.061 0.000 2.205 136 G HA2 -0.313 3.642 3.960 -0.009 0.000 0.261 136 G HA3 -0.313 3.642 3.960 -0.009 0.000 0.261 136 G C 0.368 175.207 174.900 -0.102 0.000 0.980 136 G CA 0.003 45.062 45.100 -0.069 0.000 0.632 136 G HN 0.663 nan 8.290 nan 0.000 0.533 137 Q N 0.412 120.137 119.800 -0.125 0.000 2.283 137 Q HA 0.461 4.796 4.340 -0.009 0.000 0.301 137 Q C 1.795 177.662 176.000 -0.221 0.000 1.063 137 Q CA 0.756 56.452 55.803 -0.178 0.000 0.952 137 Q CB 0.636 29.234 28.738 -0.234 0.000 1.166 137 Q HN 0.792 nan 8.270 nan 0.000 0.381 138 A N 5.288 127.948 122.820 -0.266 0.000 1.898 138 A HA -0.079 4.236 4.320 -0.009 0.000 0.216 138 A C 0.188 177.392 177.584 -0.633 0.000 1.181 138 A CA 1.066 52.842 52.037 -0.435 0.000 0.620 138 A CB -0.005 18.702 19.000 -0.488 0.000 0.819 138 A HN 0.809 nan 8.150 nan 0.000 0.442 139 H N -0.846 118.093 119.070 -0.219 0.000 2.529 139 H HA 0.437 4.988 4.556 -0.008 0.000 0.348 139 H C -0.720 174.366 175.328 -0.404 0.000 1.079 139 H CA -0.536 55.361 56.048 -0.252 0.000 1.198 139 H CB 1.554 31.175 29.762 -0.235 0.000 1.521 139 H HN 0.236 nan 8.280 nan 0.000 0.514 140 S N 1.561 117.154 115.700 -0.178 0.000 2.584 140 S HA 0.110 4.575 4.470 -0.009 0.000 0.273 140 S C 0.005 174.510 174.600 -0.159 0.000 1.311 140 S CA -0.405 57.654 58.200 -0.234 0.000 1.034 140 S CB 0.266 63.407 63.200 -0.098 0.000 0.939 140 S HN 0.447 nan 8.310 nan 0.000 0.513 141 Y N 2.628 122.923 120.300 -0.009 0.000 2.532 141 Y HA 0.316 4.860 4.550 -0.009 0.000 0.283 141 Y C 1.758 177.666 175.900 0.014 0.000 1.181 141 Y CA -0.546 57.572 58.100 0.030 0.000 1.256 141 Y CB -0.506 37.939 38.460 -0.025 0.000 1.112 141 Y HN 0.722 nan 8.280 nan 0.000 0.521 142 K N -0.030 120.391 120.400 0.035 0.000 2.074 142 K HA -0.207 4.108 4.320 -0.009 0.000 0.209 142 K C 0.188 176.623 176.600 -0.275 0.000 1.048 142 K CA 1.816 57.975 56.287 -0.213 0.000 0.926 142 K CB -0.121 32.083 32.500 -0.492 0.000 0.713 142 K HN 0.310 nan 8.250 nan 0.000 0.444 143 Y N -0.175 120.233 120.300 0.179 0.000 2.658 143 Y HA 0.350 4.897 4.550 -0.006 0.000 0.276 143 Y C 0.577 176.464 175.900 -0.021 0.000 1.167 143 Y CA 0.096 58.214 58.100 0.030 0.000 1.230 143 Y CB 1.017 39.415 38.460 -0.103 0.000 1.144 143 Y HN 0.291 nan 8.280 nan 0.000 0.529 144 G N -0.548 108.402 108.800 0.250 0.000 2.354 144 G HA2 0.201 4.156 3.960 -0.009 0.000 0.582 144 G HA3 0.201 4.156 3.960 -0.009 0.000 0.582 144 G C 0.024 175.119 174.900 0.325 0.000 1.316 144 G CA -0.219 45.003 45.100 0.202 0.000 0.995 144 G HN 0.333 nan 8.290 nan 0.000 0.573 145 S N -1.362 114.414 115.700 0.126 0.000 4.163 145 S HA 0.344 4.809 4.470 -0.009 0.000 0.164 145 S C 2.019 176.636 174.600 0.028 0.000 0.896 145 S CA 0.630 58.812 58.200 -0.030 0.000 1.125 145 S CB -0.227 62.612 63.200 -0.602 0.000 1.698 145 S HN 0.926 nan 8.310 nan 0.000 0.817 146 L N 2.822 124.022 121.223 -0.038 0.000 2.265 146 L HA 0.064 4.398 4.340 -0.009 0.000 0.215 146 L C 2.132 179.047 176.870 0.075 0.000 1.117 146 L CA 1.498 56.331 54.840 -0.012 0.000 0.782 146 L CB -0.471 41.542 42.059 -0.077 0.000 0.914 146 L HN 0.712 nan 8.230 nan 0.000 0.441 147 S N -3.175 112.613 115.700 0.146 0.000 2.593 147 S HA 0.055 4.520 4.470 -0.009 0.000 0.236 147 S C 0.666 175.356 174.600 0.149 0.000 0.991 147 S CA -0.610 57.690 58.200 0.167 0.000 0.963 147 S CB -0.329 62.992 63.200 0.202 0.000 0.865 147 S HN 0.291 nan 8.310 nan 0.000 0.488 148 H N 2.791 121.907 119.070 0.075 0.000 2.871 148 H HA 0.059 4.610 4.556 -0.008 0.000 0.355 148 H C 1.660 177.022 175.328 0.056 0.000 1.092 148 H CA 1.679 57.779 56.048 0.088 0.000 1.420 148 H CB 1.483 31.309 29.762 0.107 0.000 1.400 148 H HN 0.455 nan 8.280 nan 0.000 0.604 149 T N 0.945 115.557 114.554 0.096 0.000 2.915 149 T HA -0.151 4.194 4.350 -0.009 0.000 0.269 149 T C 0.903 175.724 174.700 0.201 0.000 1.071 149 T CA 0.577 62.744 62.100 0.112 0.000 1.132 149 T CB -0.072 68.798 68.868 0.003 0.000 0.878 149 T HN 0.442 nan 8.240 nan 0.000 0.479 150 N N 0.937 119.897 118.700 0.434 0.000 2.430 150 N HA 0.537 5.272 4.740 -0.009 0.000 0.265 150 N C 1.134 176.636 175.510 -0.013 0.000 1.100 150 N CA 0.334 53.454 53.050 0.118 0.000 0.961 150 N CB 1.117 39.592 38.487 -0.019 0.000 1.075 150 N HN 0.205 nan 8.380 nan 0.000 0.478 151 A N 4.074 126.872 122.820 -0.037 0.000 1.892 151 A HA -0.162 4.152 4.320 -0.009 0.000 0.218 151 A C 2.096 179.611 177.584 -0.115 0.000 1.188 151 A CA 2.045 54.049 52.037 -0.054 0.000 0.631 151 A CB -1.304 17.671 19.000 -0.041 0.000 0.822 151 A HN 0.792 nan 8.150 nan 0.000 0.447 152 A N -1.242 121.453 122.820 -0.208 0.000 1.972 152 A HA -0.085 4.230 4.320 -0.009 0.000 0.219 152 A C 2.274 179.621 177.584 -0.396 0.000 1.169 152 A CA 2.302 54.156 52.037 -0.306 0.000 0.635 152 A CB -1.171 17.563 19.000 -0.443 0.000 0.810 152 A HN 0.462 nan 8.150 nan 0.000 0.446 153 T N -0.414 113.851 114.554 -0.481 0.000 2.777 153 T HA -0.097 4.247 4.350 -0.009 0.000 0.266 153 T C 2.043 176.719 174.700 -0.040 0.000 1.040 153 T CA 1.331 63.247 62.100 -0.307 0.000 1.141 153 T CB -0.204 68.349 68.868 -0.526 0.000 0.868 153 T HN 0.522 nan 8.240 nan 0.000 0.444 154 R N 1.130 121.606 120.500 -0.040 0.000 2.081 154 R HA 0.053 4.388 4.340 -0.009 0.000 0.235 154 R C 2.839 179.137 176.300 -0.003 0.000 1.131 154 R CA 1.274 57.379 56.100 0.008 0.000 0.960 154 R CB -0.511 29.793 30.300 0.007 0.000 0.856 154 R HN 0.356 nan 8.270 nan 0.000 0.436 155 A N 1.240 124.047 122.820 -0.022 0.000 1.933 155 A HA -0.250 4.065 4.320 -0.009 0.000 0.218 155 A C 2.148 179.747 177.584 0.025 0.000 1.175 155 A CA 1.445 53.475 52.037 -0.011 0.000 0.628 155 A CB -0.513 18.474 19.000 -0.021 0.000 0.814 155 A HN 0.402 nan 8.150 nan 0.000 0.444 156 Q N -0.447 119.387 119.800 0.058 0.000 2.050 156 Q HA -0.137 4.198 4.340 -0.009 0.000 0.202 156 Q C 2.186 178.279 176.000 0.155 0.000 0.980 156 Q CA 1.727 57.600 55.803 0.117 0.000 0.840 156 Q CB -0.373 28.463 28.738 0.163 0.000 0.898 156 Q HN 0.578 nan 8.270 nan 0.000 0.424 157 A N 0.078 122.996 122.820 0.164 0.000 1.902 157 A HA -0.138 4.176 4.320 -0.009 0.000 0.217 157 A C 2.232 179.842 177.584 0.045 0.000 1.181 157 A CA 1.565 53.650 52.037 0.080 0.000 0.623 157 A CB -0.789 18.169 19.000 -0.071 0.000 0.818 157 A HN 0.321 nan 8.150 nan 0.000 0.443 158 V N 0.082 120.002 119.914 0.010 0.000 2.295 158 V HA -0.239 3.876 4.120 -0.009 0.000 0.246 158 V C 2.649 178.733 176.094 -0.015 0.000 1.049 158 V CA 2.441 64.726 62.300 -0.025 0.000 1.024 158 V CB -0.667 31.131 31.823 -0.042 0.000 0.648 158 V HN 0.722 nan 8.190 nan 0.000 0.447 159 E N -0.096 120.111 120.200 0.012 0.000 2.118 159 E HA -0.266 4.079 4.350 -0.009 0.000 0.195 159 E C 2.192 178.801 176.600 0.014 0.000 0.992 159 E CA 1.771 58.174 56.400 0.005 0.000 0.804 159 E CB -0.527 29.187 29.700 0.023 0.000 0.741 159 E HN 0.756 nan 8.360 nan 0.000 0.458 160 H N 0.042 119.097 119.070 -0.026 0.000 2.321 160 H HA -0.068 4.483 4.556 -0.009 0.000 0.300 160 H C 1.669 176.960 175.328 -0.061 0.000 1.087 160 H CA 1.637 57.665 56.048 -0.034 0.000 1.319 160 H CB 0.045 29.798 29.762 -0.015 0.000 1.379 160 H HN 0.205 nan 8.280 nan 0.000 0.501 161 N N 0.713 119.315 118.700 -0.162 0.000 2.166 161 N HA -0.120 4.615 4.740 -0.009 0.000 0.186 161 N C 2.335 177.720 175.510 -0.207 0.000 1.019 161 N CA 0.937 53.860 53.050 -0.212 0.000 0.856 161 N CB -0.053 38.374 38.487 -0.100 0.000 0.993 161 N HN 0.384 nan 8.380 nan 0.000 0.426 162 L N 1.201 122.327 121.223 -0.163 0.000 2.083 162 L HA -0.136 4.199 4.340 -0.009 0.000 0.209 162 L C 2.468 179.225 176.870 -0.188 0.000 1.083 162 L CA 1.054 55.792 54.840 -0.171 0.000 0.752 162 L CB -0.363 41.618 42.059 -0.130 0.000 0.899 162 L HN 0.233 nan 8.230 nan 0.000 0.433 163 E N -0.293 119.797 120.200 -0.183 0.000 2.150 163 E HA -0.213 4.132 4.350 -0.009 0.000 0.193 163 E C 2.314 178.796 176.600 -0.197 0.000 0.985 163 E CA 1.308 57.607 56.400 -0.169 0.000 0.814 163 E CB 0.040 29.659 29.700 -0.136 0.000 0.752 163 E HN 0.529 nan 8.360 nan 0.000 0.466 164 C N 0.413 119.551 119.300 -0.271 0.000 2.425 164 C HA -0.058 4.396 4.460 -0.009 0.000 0.277 164 C C 2.489 177.416 174.990 -0.105 0.000 1.280 164 C CA 0.311 59.204 59.018 -0.209 0.000 1.744 164 C CB -0.784 26.800 27.740 -0.259 0.000 1.989 164 C HN 0.498 nan 8.230 nan 0.000 0.491 165 I N 0.610 121.073 120.570 -0.178 0.000 2.252 165 I HA -0.144 4.021 4.170 -0.009 0.000 0.245 165 I C 2.574 178.505 176.117 -0.310 0.000 1.102 165 I CA 1.235 62.334 61.300 -0.334 0.000 1.385 165 I CB -0.572 37.099 38.000 -0.548 0.000 1.064 165 I HN 0.312 nan 8.210 nan 0.000 0.414 166 E N 0.864 120.927 120.200 -0.230 0.000 2.085 166 E HA -0.189 4.156 4.350 -0.009 0.000 0.194 166 E C 2.300 178.844 176.600 -0.094 0.000 0.994 166 E CA 1.237 57.536 56.400 -0.168 0.000 0.801 166 E CB -0.171 29.448 29.700 -0.136 0.000 0.743 166 E HN 0.395 nan 8.360 nan 0.000 0.453 167 I N 0.612 121.137 120.570 -0.074 0.000 2.142 167 I HA -0.155 4.009 4.170 -0.009 0.000 0.240 167 I C 2.479 178.592 176.117 -0.006 0.000 1.078 167 I CA 1.451 62.721 61.300 -0.051 0.000 1.343 167 I CB -1.740 36.221 38.000 -0.066 0.000 1.046 167 I HN 0.089 nan 8.210 nan 0.000 0.405 168 G N 1.123 109.975 108.800 0.086 0.000 2.446 168 G HA2 -0.266 3.689 3.960 -0.009 0.000 0.217 168 G HA3 -0.266 3.689 3.960 -0.009 0.000 0.217 168 G C 1.778 176.864 174.900 0.309 0.000 1.168 168 G CA 0.604 45.849 45.100 0.241 0.000 0.771 168 G HN 0.366 nan 8.290 nan 0.000 0.551 169 K N 0.608 121.179 120.400 0.285 0.000 2.103 169 K HA -0.025 4.289 4.320 -0.009 0.000 0.207 169 K C 2.868 179.537 176.600 0.115 0.000 1.048 169 K CA 1.061 57.479 56.287 0.218 0.000 0.930 169 K CB -0.221 32.269 32.500 -0.016 0.000 0.716 169 K HN 0.300 nan 8.250 nan 0.000 0.444 170 A N 1.670 124.521 122.820 0.051 0.000 2.014 170 A HA -0.073 4.242 4.320 -0.009 0.000 0.218 170 A C 1.989 179.592 177.584 0.033 0.000 1.163 170 A CA 1.055 53.107 52.037 0.025 0.000 0.652 170 A CB -0.531 18.466 19.000 -0.006 0.000 0.808 170 A HN 0.476 nan 8.150 nan 0.000 0.449 171 I N -5.760 114.821 120.570 0.018 0.000 3.956 171 I HA 0.510 4.674 4.170 -0.009 0.000 0.333 171 I C 1.100 177.315 176.117 0.163 0.000 1.302 171 I CA 0.651 61.958 61.300 0.012 0.000 1.122 171 I CB 0.313 38.122 38.000 -0.319 0.000 1.013 171 I HN 0.311 nan 8.210 nan 0.000 0.405 172 G N 1.440 110.326 108.800 0.142 0.000 2.163 172 G HA2 -0.262 3.693 3.960 -0.009 0.000 0.213 172 G HA3 -0.262 3.693 3.960 -0.009 0.000 0.213 172 G C 0.316 175.271 174.900 0.091 0.000 0.991 172 G CA 0.220 45.404 45.100 0.140 0.000 0.653 172 G HN 0.538 nan 8.290 nan 0.000 0.518 173 S N -0.275 115.473 115.700 0.080 0.000 2.593 173 S HA 0.608 5.073 4.470 -0.009 0.000 0.269 173 S C 0.961 175.276 174.600 -0.475 0.000 1.334 173 S CA 0.333 58.467 58.200 -0.111 0.000 1.015 173 S CB 0.772 63.930 63.200 -0.071 0.000 0.912 173 S HN 0.194 nan 8.310 nan 0.000 0.541 174 K N 1.224 121.067 120.400 -0.929 0.000 2.564 174 K HA 0.461 4.776 4.320 -0.009 0.000 0.201 174 K C -0.584 174.929 176.600 -1.813 0.000 1.086 174 K CA -0.002 55.350 56.287 -1.557 0.000 1.062 174 K CB 0.780 32.879 32.500 -0.668 0.000 0.849 174 K HN 0.606 nan 8.250 nan 0.000 0.529 175 A N 0.718 122.512 122.820 -1.710 0.000 2.608 175 A HA 0.653 4.968 4.320 -0.009 0.000 0.292 175 A C -2.131 175.192 177.584 -0.435 0.000 1.066 175 A CA -0.728 50.758 52.037 -0.919 0.000 0.676 175 A CB 1.281 19.861 19.000 -0.700 0.000 1.277 175 A HN 0.084 nan 8.150 nan 0.000 0.413 176 L N 0.773 121.913 121.223 -0.138 0.000 2.356 176 L HA 0.779 5.114 4.340 -0.009 0.000 0.277 176 L C -0.459 176.419 176.870 0.014 0.000 0.996 176 L CA 0.270 55.138 54.840 0.046 0.000 0.822 176 L CB 2.054 44.203 42.059 0.150 0.000 1.256 176 L HN 0.655 nan 8.230 nan 0.000 0.413 177 T N 4.524 119.146 114.554 0.113 0.000 2.767 177 T HA 0.587 4.931 4.350 -0.009 0.000 0.284 177 T C -0.673 174.117 174.700 0.150 0.000 0.973 177 T CA -0.285 61.938 62.100 0.206 0.000 0.996 177 T CB 1.191 70.218 68.868 0.264 0.000 0.927 177 T HN 0.369 nan 8.240 nan 0.000 0.456 178 V N 4.563 124.583 119.914 0.177 0.000 2.326 178 V HA 0.438 4.553 4.120 -0.009 0.000 0.281 178 V C -0.941 175.299 176.094 0.243 0.000 1.015 178 V CA -0.981 61.419 62.300 0.166 0.000 0.823 178 V CB 0.846 32.739 31.823 0.117 0.000 1.009 178 V HN 0.906 nan 8.190 nan 0.000 0.436 179 W N 8.394 129.757 121.300 0.105 0.000 2.538 179 W HA 0.812 5.467 4.660 -0.008 0.000 0.322 179 W C -0.770 175.826 176.519 0.129 0.000 1.028 179 W CA -0.918 56.481 57.345 0.090 0.000 1.228 179 W CB 1.308 30.802 29.460 0.057 0.000 1.356 179 W HN 0.595 nan 8.180 nan 0.000 0.452 180 I N 2.768 122.791 120.570 -0.912 0.000 3.002 180 I HA 0.813 4.978 4.170 -0.009 0.000 0.310 180 I C 0.813 176.186 176.117 -1.240 0.000 1.087 180 I CA -1.186 59.606 61.300 -0.846 0.000 1.017 180 I CB 2.128 39.934 38.000 -0.324 0.000 1.226 180 I HN 0.635 nan 8.210 nan 0.000 0.443 181 G N 1.111 109.419 108.800 -0.819 0.000 3.042 181 G HA2 0.049 4.004 3.960 -0.009 0.000 0.212 181 G HA3 0.049 4.004 3.960 -0.009 0.000 0.212 181 G C -0.014 174.708 174.900 -0.296 0.000 1.166 181 G CA -0.132 44.627 45.100 -0.567 0.000 0.767 181 G HN 0.730 nan 8.290 nan 0.000 0.546 182 D N 0.956 121.214 120.400 -0.237 0.000 2.752 182 D HA 0.397 5.032 4.640 -0.009 0.000 0.225 182 D C 0.931 177.173 176.300 -0.097 0.000 1.104 182 D CA 1.801 55.735 54.000 -0.110 0.000 0.832 182 D CB 0.760 41.528 40.800 -0.054 0.000 1.161 182 D HN 0.381 nan 8.370 nan 0.000 0.505 183 G N 0.147 108.926 108.800 -0.035 0.000 2.356 183 G HA2 0.516 4.471 3.960 -0.009 0.000 0.281 183 G HA3 0.516 4.471 3.960 -0.009 0.000 0.281 183 G C -1.364 173.577 174.900 0.068 0.000 1.246 183 G CA -0.195 44.900 45.100 -0.008 0.000 0.889 183 G HN 0.736 nan 8.290 nan 0.000 0.486 184 S N -1.235 114.534 115.700 0.116 0.000 2.595 184 S HA 0.657 5.122 4.470 -0.009 0.000 0.281 184 S C -0.319 174.393 174.600 0.187 0.000 1.117 184 S CA -0.748 57.573 58.200 0.202 0.000 0.873 184 S CB 2.254 65.645 63.200 0.318 0.000 1.108 184 S HN 0.412 nan 8.310 nan 0.000 0.477 185 N N -0.497 118.281 118.700 0.131 0.000 2.220 185 N HA 0.413 5.148 4.740 -0.009 0.000 0.195 185 N C -1.417 173.790 175.510 -0.504 0.000 1.123 185 N CA 0.215 53.185 53.050 -0.135 0.000 0.874 185 N CB 0.050 38.377 38.487 -0.267 0.000 0.995 185 N HN 0.590 nan 8.380 nan 0.000 0.498 186 F N -0.001 120.023 119.950 0.124 0.000 2.578 186 F HA 0.455 4.976 4.527 -0.010 0.000 0.311 186 F C -2.274 173.318 175.800 -0.347 0.000 1.094 186 F CA -2.486 55.446 58.000 -0.113 0.000 0.923 186 F CB 1.908 40.873 39.000 -0.059 0.000 1.230 186 F HN -0.298 nan 8.300 nan 0.000 0.450 187 P HA 0.211 nan 4.420 nan 0.000 0.266 187 P C 0.711 177.901 177.300 -0.183 0.000 1.195 187 P CA 1.263 63.988 63.100 -0.626 0.000 0.768 187 P CB 0.747 32.122 31.700 -0.542 0.000 0.838 188 G N 2.137 110.854 108.800 -0.138 0.000 2.320 188 G HA2 -0.377 3.578 3.960 -0.009 0.000 0.242 188 G HA3 -0.377 3.578 3.960 -0.009 0.000 0.242 188 G C 1.306 176.168 174.900 -0.063 0.000 1.033 188 G CA 0.548 45.580 45.100 -0.113 0.000 0.620 188 G HN 0.571 nan 8.290 nan 0.000 0.517 189 Q N 0.629 120.437 119.800 0.012 0.000 2.112 189 Q HA 0.053 4.387 4.340 -0.009 0.000 0.206 189 Q C 0.934 176.946 176.000 0.019 0.000 0.987 189 Q CA 1.841 57.673 55.803 0.048 0.000 0.858 189 Q CB -0.097 28.749 28.738 0.180 0.000 0.905 189 Q HN 0.575 nan 8.270 nan 0.000 0.420 190 S N 0.430 116.152 115.700 0.037 0.000 2.566 190 S HA 0.302 4.767 4.470 -0.009 0.000 0.298 190 S C -0.926 173.626 174.600 -0.080 0.000 1.083 190 S CA -0.918 57.297 58.200 0.025 0.000 0.978 190 S CB 1.574 64.855 63.200 0.135 0.000 1.073 190 S HN 0.320 nan 8.310 nan 0.000 0.491 191 N N 1.737 120.408 118.700 -0.048 0.000 2.462 191 N HA 0.155 4.890 4.740 -0.009 0.000 0.242 191 N C 0.333 175.872 175.510 0.048 0.000 1.010 191 N CA -0.307 52.687 53.050 -0.094 0.000 0.939 191 N CB 0.097 38.561 38.487 -0.039 0.000 1.127 191 N HN 0.377 nan 8.380 nan 0.000 0.509 192 F N 2.144 122.119 119.950 0.041 0.000 2.063 192 F HA -0.226 4.300 4.527 -0.003 0.000 0.298 192 F C 2.456 178.285 175.800 0.049 0.000 1.105 192 F CA 1.325 59.337 58.000 0.019 0.000 1.215 192 F CB -1.299 37.694 39.000 -0.013 0.000 0.972 192 F HN 0.419 nan 8.300 nan 0.000 0.483 193 T N -0.040 114.669 114.554 0.259 0.000 2.737 193 T HA -0.132 4.212 4.350 -0.009 0.000 0.265 193 T C 2.134 176.944 174.700 0.183 0.000 1.038 193 T CA 1.281 63.508 62.100 0.211 0.000 1.144 193 T CB -0.208 68.746 68.868 0.144 0.000 0.866 193 T HN 0.176 nan 8.240 nan 0.000 0.434 194 R N 0.952 121.525 120.500 0.122 0.000 2.096 194 R HA 0.019 4.354 4.340 -0.009 0.000 0.235 194 R C 2.800 179.168 176.300 0.114 0.000 1.127 194 R CA 1.258 57.411 56.100 0.089 0.000 0.968 194 R CB -0.496 29.834 30.300 0.049 0.000 0.861 194 R HN 0.360 nan 8.270 nan 0.000 0.440 195 A N 0.868 123.775 122.820 0.146 0.000 1.902 195 A HA -0.194 4.121 4.320 -0.009 0.000 0.217 195 A C 1.912 179.637 177.584 0.235 0.000 1.181 195 A CA 1.099 53.232 52.037 0.160 0.000 0.623 195 A CB -0.575 18.519 19.000 0.157 0.000 0.818 195 A HN 0.322 nan 8.150 nan 0.000 0.443 196 F N 1.065 121.050 119.950 0.059 0.000 2.186 196 F HA -0.060 4.461 4.527 -0.011 0.000 0.299 196 F C 2.097 177.957 175.800 0.100 0.000 1.090 196 F CA 1.620 59.649 58.000 0.047 0.000 1.307 196 F CB -0.433 38.565 39.000 -0.003 0.000 1.019 196 F HN 0.394 nan 8.300 nan 0.000 0.489 197 E N -0.204 120.029 120.200 0.054 0.000 2.077 197 E HA -0.204 4.141 4.350 -0.009 0.000 0.193 197 E C 2.328 178.904 176.600 -0.040 0.000 0.989 197 E CA 1.130 57.489 56.400 -0.068 0.000 0.800 197 E CB -0.166 29.527 29.700 -0.011 0.000 0.746 197 E HN 0.416 nan 8.360 nan 0.000 0.452 198 R N -0.084 120.439 120.500 0.038 0.000 2.081 198 R HA -0.162 4.173 4.340 -0.009 0.000 0.235 198 R C 2.345 178.671 176.300 0.043 0.000 1.131 198 R CA 1.376 57.498 56.100 0.038 0.000 0.960 198 R CB -0.439 29.903 30.300 0.070 0.000 0.856 198 R HN 0.276 nan 8.270 nan 0.000 0.436 199 Y N 1.732 122.012 120.300 -0.033 0.000 2.145 199 Y HA -0.191 4.354 4.550 -0.009 0.000 0.286 199 Y C 1.988 177.823 175.900 -0.109 0.000 1.145 199 Y CA 1.465 59.545 58.100 -0.032 0.000 1.148 199 Y CB -0.318 38.178 38.460 0.059 0.000 0.981 199 Y HN -0.068 nan 8.280 nan 0.000 0.507 200 L N -0.743 120.444 121.223 -0.060 0.000 2.042 200 L HA -0.252 4.083 4.340 -0.009 0.000 0.210 200 L C 2.840 179.583 176.870 -0.211 0.000 1.076 200 L CA 1.729 56.441 54.840 -0.214 0.000 0.749 200 L CB -0.828 41.018 42.059 -0.355 0.000 0.893 200 L HN 0.282 nan 8.230 nan 0.000 0.432 201 S N -0.524 115.081 115.700 -0.159 0.000 2.368 201 S HA -0.134 4.330 4.470 -0.009 0.000 0.224 201 S C 2.097 176.616 174.600 -0.135 0.000 1.029 201 S CA 1.144 59.268 58.200 -0.127 0.000 0.988 201 S CB -0.025 63.123 63.200 -0.087 0.000 0.838 201 S HN 0.433 nan 8.310 nan 0.000 0.462 202 A N 1.871 124.595 122.820 -0.159 0.000 1.873 202 A HA 0.040 4.354 4.320 -0.009 0.000 0.215 202 A C 2.251 179.710 177.584 -0.209 0.000 1.186 202 A CA 1.492 53.431 52.037 -0.164 0.000 0.616 202 A CB -0.595 18.307 19.000 -0.163 0.000 0.823 202 A HN 0.535 nan 8.150 nan 0.000 0.442 203 M N -0.272 119.127 119.600 -0.335 0.000 2.279 203 M HA -0.117 4.358 4.480 -0.009 0.000 0.264 203 M C 2.408 178.629 176.300 -0.131 0.000 1.062 203 M CA 1.404 56.527 55.300 -0.295 0.000 1.099 203 M CB -1.356 30.977 32.600 -0.446 0.000 1.394 203 M HN 0.515 nan 8.290 nan 0.000 0.426 204 A N 0.000 122.739 122.820 -0.135 0.000 1.930 204 A HA -0.154 4.161 4.320 -0.009 0.000 0.217 204 A C 2.064 179.636 177.584 -0.020 0.000 1.175 204 A CA 1.445 53.432 52.037 -0.084 0.000 0.627 204 A CB -0.552 18.375 19.000 -0.121 0.000 0.815 204 A HN 0.550 nan 8.150 nan 0.000 0.443 205 E N -0.337 119.830 120.200 -0.054 0.000 2.106 205 E HA -0.123 4.222 4.350 -0.009 0.000 0.192 205 E C 1.839 178.415 176.600 -0.040 0.000 0.984 205 E CA 1.110 57.483 56.400 -0.045 0.000 0.806 205 E CB -0.248 29.415 29.700 -0.061 0.000 0.750 205 E HN 0.706 nan 8.360 nan 0.000 0.458 206 I N 0.228 120.768 120.570 -0.050 0.000 2.252 206 I HA -0.267 3.898 4.170 -0.009 0.000 0.245 206 I C 2.350 178.443 176.117 -0.040 0.000 1.102 206 I CA 0.927 62.189 61.300 -0.063 0.000 1.385 206 I CB -0.251 37.703 38.000 -0.076 0.000 1.064 206 I HN 0.122 nan 8.210 nan 0.000 0.414 207 Y N 2.185 122.420 120.300 -0.108 0.000 2.256 207 Y HA -0.267 4.279 4.550 -0.008 0.000 0.288 207 Y C 2.327 178.173 175.900 -0.091 0.000 1.155 207 Y CA 1.670 59.717 58.100 -0.089 0.000 1.203 207 Y CB -0.159 38.253 38.460 -0.080 0.000 0.980 207 Y HN 0.020 nan 8.280 nan 0.000 0.530 208 K N -0.996 119.452 120.400 0.080 0.000 2.362 208 K HA -0.025 4.289 4.320 -0.009 0.000 0.200 208 K C 1.816 178.355 176.600 -0.101 0.000 1.046 208 K CA 0.834 57.128 56.287 0.010 0.000 0.952 208 K CB -0.251 32.257 32.500 0.012 0.000 0.753 208 K HN 0.402 nan 8.250 nan 0.000 0.466 209 G N 0.686 109.396 108.800 -0.150 0.000 3.189 209 G HA2 0.116 4.071 3.960 -0.009 0.000 0.225 209 G HA3 0.116 4.071 3.960 -0.009 0.000 0.225 209 G C 0.197 174.908 174.900 -0.316 0.000 1.159 209 G CA -0.330 44.645 45.100 -0.208 0.000 0.763 209 G HN 0.017 nan 8.290 nan 0.000 0.549 210 L N 1.480 122.502 121.223 -0.335 0.000 2.319 210 L HA 0.295 4.630 4.340 -0.009 0.000 0.280 210 L C -2.012 174.650 176.870 -0.346 0.000 1.099 210 L CA -1.771 52.830 54.840 -0.398 0.000 0.828 210 L CB 1.384 43.198 42.059 -0.408 0.000 1.150 210 L HN -0.086 nan 8.230 nan 0.000 0.442 211 P HA 0.030 nan 4.420 nan 0.000 0.272 211 P C 0.069 177.322 177.300 -0.078 0.000 1.240 211 P CA -0.373 62.578 63.100 -0.249 0.000 0.791 211 P CB 0.592 32.106 31.700 -0.311 0.000 0.978 212 D N 0.631 121.007 120.400 -0.041 0.000 2.182 212 D HA -0.163 4.472 4.640 -0.009 0.000 0.201 212 D C 0.757 177.074 176.300 0.028 0.000 0.986 212 D CA 1.479 55.471 54.000 -0.013 0.000 0.847 212 D CB -0.338 40.457 40.800 -0.007 0.000 0.942 212 D HN 0.550 nan 8.370 nan 0.000 0.467 213 D N -1.384 119.070 120.400 0.090 0.000 2.427 213 D HA -0.023 4.612 4.640 -0.009 0.000 0.224 213 D C -0.061 176.312 176.300 0.120 0.000 1.157 213 D CA -0.444 53.607 54.000 0.086 0.000 0.828 213 D CB -0.597 40.246 40.800 0.071 0.000 0.974 213 D HN 0.084 nan 8.370 nan 0.000 0.498 214 W N 1.081 122.293 121.300 -0.147 0.000 2.578 214 W HA 0.504 5.159 4.660 -0.009 0.000 0.353 214 W C 0.385 176.757 176.519 -0.245 0.000 1.088 214 W CA -0.706 56.524 57.345 -0.191 0.000 1.235 214 W CB 1.393 30.729 29.460 -0.206 0.000 1.362 214 W HN -0.398 nan 8.180 nan 0.000 0.592 215 K N 1.621 121.916 120.400 -0.174 0.000 2.328 215 K HA 0.652 4.967 4.320 -0.009 0.000 0.246 215 K C -1.729 174.583 176.600 -0.481 0.000 0.955 215 K CA -1.277 54.801 56.287 -0.349 0.000 0.817 215 K CB 2.284 34.471 32.500 -0.520 0.000 1.208 215 K HN 0.223 nan 8.250 nan 0.000 0.432 216 L N 2.853 123.855 121.223 -0.368 0.000 2.343 216 L HA 0.508 4.843 4.340 -0.009 0.000 0.278 216 L C -1.766 175.032 176.870 -0.120 0.000 0.996 216 L CA -0.302 54.399 54.840 -0.232 0.000 0.831 216 L CB 0.622 42.659 42.059 -0.036 0.000 1.232 216 L HN 0.378 nan 8.230 nan 0.000 0.413 217 F N 2.808 122.790 119.950 0.053 0.000 2.427 217 F HA 0.614 5.135 4.527 -0.009 0.000 0.346 217 F C 0.530 176.369 175.800 0.065 0.000 1.120 217 F CA -0.910 57.111 58.000 0.036 0.000 1.033 217 F CB 1.697 40.687 39.000 -0.017 0.000 1.126 217 F HN 0.531 nan 8.300 nan 0.000 0.462 218 S N 1.391 117.265 115.700 0.290 0.000 2.489 218 S HA 0.529 4.994 4.470 -0.009 0.000 0.291 218 S C -0.654 174.063 174.600 0.196 0.000 1.151 218 S CA -0.901 57.452 58.200 0.255 0.000 1.082 218 S CB 1.914 65.290 63.200 0.295 0.000 1.019 218 S HN 0.689 nan 8.310 nan 0.000 0.492 219 E N 2.989 123.304 120.200 0.192 0.000 2.114 219 E HA 0.191 4.535 4.350 -0.009 0.000 0.266 219 E C -0.125 176.596 176.600 0.202 0.000 0.896 219 E CA -0.768 55.693 56.400 0.101 0.000 0.750 219 E CB 0.516 30.265 29.700 0.082 0.000 1.121 219 E HN 0.906 nan 8.360 nan 0.000 0.413 220 H N 3.285 122.449 119.070 0.157 0.000 2.607 220 H HA 0.474 5.025 4.556 -0.009 0.000 0.367 220 H C -0.790 174.638 175.328 0.168 0.000 1.181 220 H CA -0.624 55.495 56.048 0.120 0.000 1.402 220 H CB 1.256 31.056 29.762 0.063 0.000 1.474 220 H HN 0.379 nan 8.280 nan 0.000 0.596 221 K N 2.540 123.047 120.400 0.178 0.000 2.561 221 K HA 0.094 4.409 4.320 -0.009 0.000 0.254 221 K C 0.674 177.250 176.600 -0.040 0.000 0.942 221 K CA -0.593 55.673 56.287 -0.036 0.000 0.818 221 K CB 2.636 35.045 32.500 -0.151 0.000 1.306 221 K HN 0.713 nan 8.250 nan 0.000 0.435 222 M N 3.358 122.929 119.600 -0.047 0.000 2.117 222 M HA -0.106 4.369 4.480 -0.009 0.000 0.262 222 M C -0.417 175.963 176.300 0.133 0.000 1.065 222 M CA 1.690 57.029 55.300 0.065 0.000 1.114 222 M CB 0.136 32.856 32.600 0.201 0.000 1.361 222 M HN 0.608 nan 8.290 nan 0.000 0.408 223 Y N -2.418 117.836 120.300 -0.077 0.000 2.750 223 Y HA 0.507 5.052 4.550 -0.009 0.000 0.335 223 Y C -1.132 174.708 175.900 -0.101 0.000 1.252 223 Y CA -1.681 56.368 58.100 -0.085 0.000 1.064 223 Y CB 0.249 38.716 38.460 0.011 0.000 1.321 223 Y HN 0.327 nan 8.280 nan 0.000 0.451 224 E N 1.624 121.720 120.200 -0.173 0.000 7.504 224 E HA -0.114 4.231 4.350 -0.009 0.000 0.337 224 E C -2.366 174.142 176.600 -0.154 0.000 0.701 224 E CA 0.451 56.683 56.400 -0.280 0.000 1.302 224 E CB 0.158 29.801 29.700 -0.096 0.000 0.927 224 E HN 0.657 nan 8.360 nan 0.000 0.263 225 P HA -0.024 nan 4.420 nan 0.000 0.230 225 P C 0.228 177.017 177.300 -0.851 0.000 1.158 225 P CA 1.203 64.057 63.100 -0.410 0.000 0.769 225 P CB 0.201 31.818 31.700 -0.138 0.000 0.807 226 A N -0.244 122.225 122.820 -0.585 0.000 2.320 226 A HA 0.422 4.737 4.320 -0.009 0.000 0.287 226 A C -0.042 177.227 177.584 -0.525 0.000 1.181 226 A CA -0.408 51.351 52.037 -0.464 0.000 0.831 226 A CB -0.270 18.614 19.000 -0.192 0.000 1.102 226 A HN -0.043 nan 8.150 nan 0.000 0.513 227 F N 1.125 121.109 119.950 0.056 0.000 2.653 227 F HA 0.192 4.714 4.527 -0.009 0.000 0.304 227 F C 0.958 176.780 175.800 0.037 0.000 1.092 227 F CA 0.115 58.139 58.000 0.041 0.000 1.279 227 F CB -0.126 38.873 39.000 -0.003 0.000 1.044 227 F HN 0.806 nan 8.300 nan 0.000 0.564 228 Y N 0.026 120.350 120.300 0.040 0.000 2.817 228 Y HA 0.358 4.902 4.550 -0.010 0.000 0.257 228 Y C 0.592 176.515 175.900 0.038 0.000 1.055 228 Y CA 0.304 58.423 58.100 0.032 0.000 1.319 228 Y CB 0.195 38.670 38.460 0.025 0.000 1.481 228 Y HN -0.143 nan 8.280 nan 0.000 0.471 229 S N -0.155 115.399 115.700 -0.243 0.000 2.564 229 S HA 0.739 5.204 4.470 -0.009 0.000 0.274 229 S C -1.075 173.430 174.600 -0.159 0.000 1.124 229 S CA -0.431 57.567 58.200 -0.337 0.000 0.869 229 S CB 2.132 65.140 63.200 -0.321 0.000 1.105 229 S HN 0.117 nan 8.310 nan 0.000 0.472 230 T N 2.304 116.731 114.554 -0.211 0.000 2.881 230 T HA 0.412 4.756 4.350 -0.009 0.000 0.290 230 T C 1.240 175.804 174.700 -0.226 0.000 1.000 230 T CA -0.625 61.371 62.100 -0.172 0.000 0.978 230 T CB 1.607 70.390 68.868 -0.142 0.000 0.997 230 T HN 0.522 nan 8.240 nan 0.000 0.443 231 V N 2.920 122.714 119.914 -0.200 0.000 2.255 231 V HA -0.087 4.028 4.120 -0.009 0.000 0.247 231 V C 1.315 177.176 176.094 -0.388 0.000 1.051 231 V CA 1.490 63.636 62.300 -0.258 0.000 1.018 231 V CB -0.242 31.467 31.823 -0.190 0.000 0.641 231 V HN 0.726 nan 8.190 nan 0.000 0.445 232 V N 3.091 122.803 119.914 -0.337 0.000 2.125 232 V HA 0.128 4.243 4.120 -0.009 0.000 0.263 232 V C 1.309 177.324 176.094 -0.131 0.000 1.365 232 V CA 0.005 62.143 62.300 -0.271 0.000 1.276 232 V CB 0.503 32.206 31.823 -0.200 0.000 1.350 232 V HN 0.630 nan 8.190 nan 0.000 0.487 233 Q N 2.007 121.690 119.800 -0.195 0.000 2.212 233 Q HA -0.010 4.325 4.340 -0.009 0.000 0.199 233 Q C 0.183 176.157 176.000 -0.044 0.000 0.950 233 Q CA 1.501 57.228 55.803 -0.125 0.000 0.863 233 Q CB 0.463 29.074 28.738 -0.211 0.000 0.944 233 Q HN 0.773 nan 8.270 nan 0.000 0.465 234 D N -1.984 118.346 120.400 -0.118 0.000 2.752 234 D HA 0.031 4.665 4.640 -0.009 0.000 0.313 234 D C 0.854 176.879 176.300 -0.459 0.000 1.225 234 D CA -0.485 53.403 54.000 -0.188 0.000 0.976 234 D CB -0.906 39.822 40.800 -0.119 0.000 1.443 234 D HN 0.132 nan 8.370 nan 0.000 0.515 235 W N 0.598 121.431 121.300 -0.778 0.000 2.465 235 W HA 0.109 4.765 4.660 -0.006 0.000 0.268 235 W C 1.041 177.438 176.519 -0.202 0.000 1.242 235 W CA 1.134 58.127 57.345 -0.585 0.000 1.248 235 W CB -1.287 27.951 29.460 -0.370 0.000 1.118 235 W HN 0.445 nan 8.180 nan 0.000 0.587 236 G N 1.609 109.789 108.800 -1.032 0.000 2.414 236 G HA2 -0.257 3.698 3.960 -0.009 0.000 0.215 236 G HA3 -0.257 3.698 3.960 -0.009 0.000 0.215 236 G C 1.504 176.146 174.900 -0.429 0.000 1.188 236 G CA 2.131 46.656 45.100 -0.959 0.000 0.783 236 G HN 0.285 nan 8.290 nan 0.000 0.537 237 T N 0.998 115.328 114.554 -0.373 0.000 2.788 237 T HA -0.131 4.213 4.350 -0.009 0.000 0.268 237 T C 2.337 176.982 174.700 -0.093 0.000 1.044 237 T CA 1.243 63.158 62.100 -0.308 0.000 1.139 237 T CB -0.264 68.311 68.868 -0.489 0.000 0.867 237 T HN 0.216 nan 8.240 nan 0.000 0.454 238 N N 0.477 119.144 118.700 -0.055 0.000 2.120 238 N HA -0.106 4.629 4.740 -0.009 0.000 0.188 238 N C 1.560 177.149 175.510 0.132 0.000 1.024 238 N CA 1.109 54.223 53.050 0.108 0.000 0.852 238 N CB -0.439 38.181 38.487 0.221 0.000 1.003 238 N HN 0.496 nan 8.380 nan 0.000 0.424 239 Y N 1.158 121.456 120.300 -0.004 0.000 2.181 239 Y HA -0.055 4.489 4.550 -0.009 0.000 0.288 239 Y C 2.141 178.050 175.900 0.016 0.000 1.146 239 Y CA 1.349 59.459 58.100 0.016 0.000 1.164 239 Y CB -0.408 37.998 38.460 -0.089 0.000 0.982 239 Y HN 0.037 nan 8.280 nan 0.000 0.515 240 L N -0.404 120.808 121.223 -0.018 0.000 2.079 240 L HA -0.259 4.076 4.340 -0.009 0.000 0.210 240 L C 2.392 179.255 176.870 -0.010 0.000 1.081 240 L CA 1.551 56.384 54.840 -0.012 0.000 0.752 240 L CB -0.588 41.567 42.059 0.159 0.000 0.896 240 L HN 0.289 nan 8.230 nan 0.000 0.433 241 I N -0.256 120.380 120.570 0.109 0.000 2.179 241 I HA -0.274 3.890 4.170 -0.009 0.000 0.242 241 I C 2.817 178.935 176.117 0.002 0.000 1.088 241 I CA 1.241 62.617 61.300 0.127 0.000 1.357 241 I CB -0.475 37.699 38.000 0.290 0.000 1.051 241 I HN 0.188 nan 8.210 nan 0.000 0.409 242 A N 0.015 122.817 122.820 -0.031 0.000 1.877 242 A HA -0.281 4.033 4.320 -0.009 0.000 0.216 242 A C 2.242 179.731 177.584 -0.159 0.000 1.186 242 A CA 1.878 53.885 52.037 -0.049 0.000 0.620 242 A CB -0.638 18.360 19.000 -0.002 0.000 0.822 242 A HN 0.394 nan 8.150 nan 0.000 0.443 243 Q N -0.414 119.170 119.800 -0.361 0.000 2.124 243 Q HA -0.095 4.240 4.340 -0.009 0.000 0.202 243 Q C 2.009 177.891 176.000 -0.197 0.000 0.977 243 Q CA 2.384 57.986 55.803 -0.334 0.000 0.850 243 Q CB -0.789 27.608 28.738 -0.567 0.000 0.901 243 Q HN 0.591 nan 8.270 nan 0.000 0.429 244 T N 0.431 114.874 114.554 -0.185 0.000 2.812 244 T HA -0.027 4.317 4.350 -0.009 0.000 0.264 244 T C 1.645 176.214 174.700 -0.218 0.000 1.042 244 T CA 1.126 63.127 62.100 -0.165 0.000 1.140 244 T CB -0.139 68.640 68.868 -0.149 0.000 0.870 244 T HN 0.212 nan 8.240 nan 0.000 0.445 245 L N 0.106 121.184 121.223 -0.242 0.000 2.072 245 L HA 0.230 4.565 4.340 -0.009 0.000 0.205 245 L C 1.497 177.934 176.870 -0.722 0.000 1.079 245 L CA 0.738 55.313 54.840 -0.441 0.000 0.752 245 L CB -0.616 41.279 42.059 -0.273 0.000 0.906 245 L HN 0.513 nan 8.230 nan 0.000 0.436 246 G N -2.182 106.410 108.800 -0.347 0.000 2.353 246 G HA2 -0.056 3.899 3.960 -0.009 0.000 0.424 246 G HA3 -0.056 3.899 3.960 -0.009 0.000 0.424 246 G C -2.583 172.369 174.900 0.086 0.000 1.320 246 G CA -0.590 44.397 45.100 -0.189 0.000 0.995 246 G HN -0.237 nan 8.290 nan 0.000 0.580 247 P HA -0.048 nan 4.420 nan 0.000 0.217 247 P C 1.555 178.966 177.300 0.184 0.000 1.148 247 P CA 1.511 64.704 63.100 0.154 0.000 0.828 247 P CB 0.083 31.858 31.700 0.125 0.000 0.783 248 K N -1.281 119.281 120.400 0.271 0.000 2.459 248 K HA 0.203 4.518 4.320 -0.009 0.000 0.193 248 K C 0.730 177.422 176.600 0.154 0.000 1.030 248 K CA -0.016 56.344 56.287 0.121 0.000 1.026 248 K CB 0.122 32.540 32.500 -0.136 0.000 0.809 248 K HN 0.077 nan 8.250 nan 0.000 0.504 249 A N 1.729 124.737 122.820 0.313 0.000 2.274 249 A HA 0.356 4.671 4.320 -0.009 0.000 0.309 249 A C -0.544 177.164 177.584 0.207 0.000 1.226 249 A CA -0.426 51.760 52.037 0.247 0.000 0.853 249 A CB 0.636 19.794 19.000 0.263 0.000 1.146 249 A HN 0.104 nan 8.150 nan 0.000 0.518 250 Q N 0.330 120.293 119.800 0.272 0.000 2.553 250 Q HA 0.475 4.810 4.340 -0.009 0.000 0.293 250 Q C -1.395 174.768 176.000 0.271 0.000 1.038 250 Q CA -0.845 55.124 55.803 0.277 0.000 0.777 250 Q CB 2.183 31.111 28.738 0.316 0.000 1.487 250 Q HN 0.776 nan 8.270 nan 0.000 0.426 251 C N 1.379 120.778 119.300 0.165 0.000 2.350 251 C HA 0.575 5.030 4.460 -0.009 0.000 0.348 251 C C -0.519 174.418 174.990 -0.088 0.000 1.260 251 C CA -0.708 58.383 59.018 0.123 0.000 1.966 251 C CB 0.069 27.934 27.740 0.210 0.000 2.380 251 C HN 0.542 nan 8.230 nan 0.000 0.535 252 L N 4.242 125.383 121.223 -0.135 0.000 2.307 252 L HA 0.664 4.999 4.340 -0.009 0.000 0.284 252 L C -0.497 176.145 176.870 -0.380 0.000 1.023 252 L CA -0.275 54.328 54.840 -0.396 0.000 0.810 252 L CB 1.324 43.128 42.059 -0.426 0.000 1.231 252 L HN 0.552 nan 8.230 nan 0.000 0.423 253 V N 5.164 124.796 119.914 -0.470 0.000 2.347 253 V HA 0.346 4.461 4.120 -0.009 0.000 0.280 253 V C -0.314 175.606 176.094 -0.288 0.000 1.021 253 V CA -0.716 61.391 62.300 -0.321 0.000 0.847 253 V CB 1.256 32.930 31.823 -0.248 0.000 0.990 253 V HN 0.733 nan 8.190 nan 0.000 0.444 254 D N 5.032 125.207 120.400 -0.374 0.000 2.373 254 D HA 0.207 4.842 4.640 -0.009 0.000 0.227 254 D C 1.042 177.243 176.300 -0.165 0.000 1.091 254 D CA -0.567 53.198 54.000 -0.391 0.000 0.840 254 D CB 1.714 41.908 40.800 -1.010 0.000 1.060 254 D HN 0.202 nan 8.370 nan 0.000 0.502 255 L N 3.556 124.793 121.223 0.024 0.000 2.064 255 L HA -0.147 4.188 4.340 -0.009 0.000 0.216 255 L C 2.163 179.173 176.870 0.234 0.000 1.077 255 L CA 1.914 56.855 54.840 0.169 0.000 0.766 255 L CB -1.615 40.532 42.059 0.146 0.000 0.890 255 L HN 0.564 nan 8.230 nan 0.000 0.435 256 G N -2.505 106.362 108.800 0.112 0.000 3.181 256 G HA2 -0.086 3.869 3.960 -0.009 0.000 0.219 256 G HA3 -0.086 3.869 3.960 -0.009 0.000 0.219 256 G C 0.933 175.964 174.900 0.218 0.000 1.182 256 G CA -0.243 44.958 45.100 0.168 0.000 0.791 256 G HN 0.563 nan 8.290 nan 0.000 0.537 257 H N -0.102 118.885 119.070 -0.139 0.000 2.507 257 H HA 0.189 4.740 4.556 -0.008 0.000 0.294 257 H C -0.044 175.034 175.328 -0.415 0.000 1.064 257 H CA -0.487 55.366 56.048 -0.324 0.000 1.138 257 H CB 0.365 29.871 29.762 -0.426 0.000 1.515 257 H HN 0.347 nan 8.280 nan 0.000 0.547 258 H N -0.087 119.106 119.070 0.205 0.000 2.670 258 H HA 0.437 4.988 4.556 -0.009 0.000 0.361 258 H C 0.047 175.480 175.328 0.175 0.000 1.169 258 H CA -0.851 55.313 56.048 0.194 0.000 1.198 258 H CB 1.612 31.474 29.762 0.166 0.000 1.700 258 H HN 0.235 nan 8.280 nan 0.000 0.542 259 A N 2.261 125.246 122.820 0.275 0.000 2.466 259 A HA 0.224 4.538 4.320 -0.009 0.000 0.238 259 A C -2.149 175.541 177.584 0.176 0.000 1.074 259 A CA -1.021 51.139 52.037 0.206 0.000 0.774 259 A CB -0.663 18.426 19.000 0.148 0.000 1.015 259 A HN 0.404 nan 8.150 nan 0.000 0.498 260 P HA 0.046 nan 4.420 nan 0.000 0.264 260 P C 0.008 177.358 177.300 0.084 0.000 1.183 260 P CA 0.657 63.823 63.100 0.111 0.000 0.763 260 P CB 0.207 31.964 31.700 0.095 0.000 0.807 261 N N -1.193 117.547 118.700 0.067 0.000 2.909 261 N HA -0.138 4.597 4.740 -0.009 0.000 0.242 261 N C -0.359 175.174 175.510 0.037 0.000 0.975 261 N CA 1.168 54.245 53.050 0.044 0.000 0.921 261 N CB -2.312 36.198 38.487 0.037 0.000 1.112 261 N HN 0.384 nan 8.380 nan 0.000 0.581 262 T N 1.671 116.259 114.554 0.057 0.000 2.946 262 T HA -0.034 4.311 4.350 -0.009 0.000 0.311 262 T C 0.796 175.479 174.700 -0.028 0.000 1.063 262 T CA -0.018 62.103 62.100 0.035 0.000 1.139 262 T CB 0.554 69.471 68.868 0.082 0.000 0.994 262 T HN 0.156 nan 8.240 nan 0.000 0.547 263 N N 2.994 121.660 118.700 -0.056 0.000 2.521 263 N HA 0.129 4.864 4.740 -0.009 0.000 0.236 263 N C 0.980 176.386 175.510 -0.174 0.000 1.067 263 N CA -0.194 52.799 53.050 -0.094 0.000 0.939 263 N CB 0.083 38.522 38.487 -0.080 0.000 1.201 263 N HN 0.548 nan 8.380 nan 0.000 0.511 264 I N 1.996 122.442 120.570 -0.207 0.000 2.353 264 I HA -0.222 3.943 4.170 -0.009 0.000 0.248 264 I C 2.213 178.188 176.117 -0.236 0.000 1.119 264 I CA 0.720 61.832 61.300 -0.313 0.000 1.417 264 I CB -0.008 37.806 38.000 -0.309 0.000 1.078 264 I HN 0.536 nan 8.210 nan 0.000 0.421 265 E N 1.509 121.605 120.200 -0.174 0.000 2.204 265 E HA -0.303 4.042 4.350 -0.009 0.000 0.195 265 E C 2.095 178.589 176.600 -0.177 0.000 0.990 265 E CA 1.419 57.727 56.400 -0.153 0.000 0.821 265 E CB -0.652 28.952 29.700 -0.161 0.000 0.750 265 E HN 0.578 nan 8.360 nan 0.000 0.477 266 M N 0.871 120.349 119.600 -0.203 0.000 2.132 266 M HA -0.061 4.414 4.480 -0.009 0.000 0.263 266 M C 2.315 178.398 176.300 -0.360 0.000 1.065 266 M CA 1.278 56.444 55.300 -0.224 0.000 1.122 266 M CB -0.053 32.436 32.600 -0.184 0.000 1.365 266 M HN 0.007 nan 8.290 nan 0.000 0.411 267 I N -0.243 120.027 120.570 -0.500 0.000 2.208 267 I HA -0.292 3.873 4.170 -0.009 0.000 0.245 267 I C 2.220 178.011 176.117 -0.543 0.000 1.097 267 I CA 1.166 61.950 61.300 -0.860 0.000 1.363 267 I CB -0.512 36.991 38.000 -0.827 0.000 1.051 267 I HN 0.176 nan 8.210 nan 0.000 0.413 268 V N 1.059 120.803 119.914 -0.285 0.000 2.332 268 V HA -0.322 3.793 4.120 -0.009 0.000 0.248 268 V C 2.718 178.748 176.094 -0.107 0.000 1.055 268 V CA 2.068 64.297 62.300 -0.118 0.000 1.038 268 V CB -1.030 30.829 31.823 0.061 0.000 0.651 268 V HN 0.514 nan 8.190 nan 0.000 0.450 269 A N -0.177 122.557 122.820 -0.144 0.000 1.902 269 A HA -0.189 4.126 4.320 -0.009 0.000 0.217 269 A C 2.370 179.903 177.584 -0.085 0.000 1.181 269 A CA 1.465 53.434 52.037 -0.114 0.000 0.623 269 A CB -0.448 18.481 19.000 -0.120 0.000 0.818 269 A HN 0.410 nan 8.150 nan 0.000 0.443 270 R N -0.372 120.033 120.500 -0.157 0.000 2.081 270 R HA -0.050 4.285 4.340 -0.009 0.000 0.235 270 R C 2.105 178.476 176.300 0.118 0.000 1.131 270 R CA 1.271 57.342 56.100 -0.048 0.000 0.960 270 R CB -1.000 29.104 30.300 -0.327 0.000 0.856 270 R HN 0.582 nan 8.270 nan 0.000 0.436 271 L N 0.351 121.572 121.223 -0.003 0.000 2.083 271 L HA -0.148 4.187 4.340 -0.009 0.000 0.209 271 L C 2.481 179.471 176.870 0.201 0.000 1.083 271 L CA 1.109 56.049 54.840 0.166 0.000 0.752 271 L CB -0.391 41.717 42.059 0.081 0.000 0.899 271 L HN 0.115 nan 8.230 nan 0.000 0.433 272 I N -0.578 120.062 120.570 0.116 0.000 2.179 272 I HA -0.332 3.833 4.170 -0.009 0.000 0.242 272 I C 2.700 178.860 176.117 0.073 0.000 1.088 272 I CA 1.308 62.679 61.300 0.118 0.000 1.357 272 I CB -0.305 37.695 38.000 0.001 0.000 1.051 272 I HN 0.378 nan 8.210 nan 0.000 0.409 273 Q N 0.751 120.569 119.800 0.029 0.000 2.181 273 Q HA -0.201 4.134 4.340 -0.009 0.000 0.205 273 Q C 1.396 177.231 176.000 -0.275 0.000 0.980 273 Q CA 1.786 57.513 55.803 -0.127 0.000 0.862 273 Q CB 0.043 28.693 28.738 -0.146 0.000 0.905 273 Q HN 0.473 nan 8.270 nan 0.000 0.429 274 F N -0.852 119.150 119.950 0.085 0.000 2.639 274 F HA 0.325 4.848 4.527 -0.008 0.000 0.300 274 F C 1.163 177.085 175.800 0.203 0.000 1.109 274 F CA 0.308 58.397 58.000 0.149 0.000 1.335 274 F CB 0.869 39.962 39.000 0.155 0.000 1.014 274 F HN 0.156 nan 8.300 nan 0.000 0.537 275 G N 0.922 109.871 108.800 0.248 0.000 2.283 275 G HA2 -0.317 3.638 3.960 -0.009 0.000 0.280 275 G HA3 -0.317 3.638 3.960 -0.009 0.000 0.280 275 G C 0.942 175.992 174.900 0.250 0.000 1.029 275 G CA 0.215 45.451 45.100 0.226 0.000 0.840 275 G HN 0.233 nan 8.290 nan 0.000 0.505 276 K N -0.914 119.659 120.400 0.289 0.000 2.506 276 K HA 0.270 4.584 4.320 -0.009 0.000 0.204 276 K C 0.536 177.241 176.600 0.175 0.000 1.045 276 K CA -0.558 55.884 56.287 0.258 0.000 1.074 276 K CB 0.641 33.352 32.500 0.352 0.000 0.842 276 K HN 0.391 nan 8.250 nan 0.000 0.514 277 L N 1.300 122.597 121.223 0.123 0.000 2.356 277 L HA 0.265 4.600 4.340 -0.009 0.000 0.282 277 L C 1.170 177.962 176.870 -0.131 0.000 1.132 277 L CA 0.216 55.038 54.840 -0.030 0.000 0.923 277 L CB 0.554 42.617 42.059 0.007 0.000 1.278 277 L HN 0.229 nan 8.230 nan 0.000 0.436 278 G N 2.899 111.573 108.800 -0.211 0.000 2.394 278 G HA2 0.376 4.331 3.960 -0.009 0.000 0.215 278 G HA3 0.376 4.331 3.960 -0.009 0.000 0.215 278 G C 0.571 174.974 174.900 -0.828 0.000 1.165 278 G CA 0.680 45.553 45.100 -0.378 0.000 0.784 278 G HN 0.927 nan 8.290 nan 0.000 0.535 279 G N -2.026 106.242 108.800 -0.887 0.000 2.430 279 G HA2 0.475 4.430 3.960 -0.009 0.000 0.300 279 G HA3 0.475 4.430 3.960 -0.009 0.000 0.300 279 G C -1.944 172.422 174.900 -0.890 0.000 1.330 279 G CA -1.003 43.596 45.100 -0.835 0.000 0.813 279 G HN 0.038 nan 8.290 nan 0.000 0.487 280 F N -0.412 119.240 119.950 -0.497 0.000 2.577 280 F HA 0.604 5.127 4.527 -0.008 0.000 0.318 280 F C 0.141 175.722 175.800 -0.364 0.000 1.065 280 F CA -0.543 57.115 58.000 -0.570 0.000 0.929 280 F CB 2.630 41.010 39.000 -1.033 0.000 1.237 280 F HN 0.374 nan 8.300 nan 0.000 0.468 281 H N 2.312 121.207 119.070 -0.291 0.000 2.792 281 H HA 0.319 4.870 4.556 -0.008 0.000 0.298 281 H C -1.165 174.058 175.328 -0.174 0.000 1.042 281 H CA -0.734 55.213 56.048 -0.168 0.000 1.300 281 H CB 0.875 30.528 29.762 -0.182 0.000 1.431 281 H HN 0.334 nan 8.280 nan 0.000 0.496 282 F N 3.271 123.333 119.950 0.187 0.000 2.399 282 F HA 0.151 4.673 4.527 -0.008 0.000 0.342 282 F C 0.575 176.423 175.800 0.080 0.000 1.106 282 F CA -0.122 57.956 58.000 0.130 0.000 1.196 282 F CB 0.864 39.951 39.000 0.144 0.000 1.163 282 F HN 0.703 nan 8.300 nan 0.000 0.547 283 N N -0.497 118.376 118.700 0.288 0.000 3.836 283 N HA 0.281 5.016 4.740 -0.009 0.000 0.229 283 N C -2.238 173.369 175.510 0.162 0.000 1.375 283 N CA -0.998 52.157 53.050 0.176 0.000 0.838 283 N CB 0.891 39.441 38.487 0.104 0.000 1.447 283 N HN 0.301 nan 8.380 nan 0.000 0.458 284 D N -1.416 119.059 120.400 0.125 0.000 2.493 284 D HA 0.818 5.453 4.640 -0.009 0.000 0.239 284 D C -1.139 175.220 176.300 0.098 0.000 1.049 284 D CA -0.063 54.005 54.000 0.113 0.000 1.008 284 D CB 2.040 42.902 40.800 0.103 0.000 1.398 284 D HN 0.807 nan 8.370 nan 0.000 0.513 285 S N -0.120 115.631 115.700 0.085 0.000 2.611 285 S HA 0.428 4.893 4.470 -0.009 0.000 0.268 285 S C -0.082 174.528 174.600 0.017 0.000 1.156 285 S CA -0.753 57.494 58.200 0.078 0.000 0.817 285 S CB 2.453 65.715 63.200 0.104 0.000 1.122 285 S HN 0.472 nan 8.310 nan 0.000 0.466 286 K N -0.975 119.397 120.400 -0.046 0.000 2.550 286 K HA 0.343 4.658 4.320 -0.009 0.000 0.205 286 K C 0.149 176.472 176.600 -0.462 0.000 1.429 286 K CA -0.008 56.095 56.287 -0.306 0.000 0.997 286 K CB 0.196 32.386 32.500 -0.515 0.000 1.328 286 K HN 0.668 nan 8.250 nan 0.000 0.546 287 Y N -0.684 119.677 120.300 0.102 0.000 2.569 287 Y HA 0.407 4.952 4.550 -0.009 0.000 0.278 287 Y C 1.428 177.421 175.900 0.155 0.000 1.130 287 Y CA 0.302 58.472 58.100 0.115 0.000 1.280 287 Y CB 0.395 38.919 38.460 0.107 0.000 1.379 287 Y HN 0.102 nan 8.280 nan 0.000 0.508 288 G N -1.027 107.972 108.800 0.331 0.000 3.253 288 G HA2 0.169 4.124 3.960 -0.009 0.000 0.175 288 G HA3 0.169 4.124 3.960 -0.009 0.000 0.175 288 G C -1.283 173.708 174.900 0.151 0.000 1.098 288 G CA -0.292 44.972 45.100 0.274 0.000 0.790 288 G HN -0.052 nan 8.290 nan 0.000 0.648 289 D N 0.715 121.141 120.400 0.044 0.000 2.713 289 D HA 0.214 4.849 4.640 -0.009 0.000 0.229 289 D C 0.574 176.912 176.300 0.065 0.000 1.136 289 D CA -0.329 53.690 54.000 0.031 0.000 1.010 289 D CB -0.040 40.694 40.800 -0.110 0.000 1.084 289 D HN 0.150 nan 8.370 nan 0.000 0.495 290 D N 0.915 121.382 120.400 0.111 0.000 2.218 290 D HA -0.140 4.494 4.640 -0.009 0.000 0.204 290 D C 0.350 176.697 176.300 0.079 0.000 0.976 290 D CA 0.539 54.610 54.000 0.119 0.000 0.853 290 D CB 0.002 40.899 40.800 0.161 0.000 0.939 290 D HN 0.414 nan 8.370 nan 0.000 0.481 291 D N -0.220 120.219 120.400 0.065 0.000 2.772 291 D HA -0.173 4.462 4.640 -0.009 0.000 0.233 291 D C 0.005 176.312 176.300 0.012 0.000 1.143 291 D CA 0.350 54.369 54.000 0.033 0.000 0.700 291 D CB -1.269 39.537 40.800 0.009 0.000 1.076 291 D HN 0.314 nan 8.370 nan 0.000 0.430 292 L N 0.068 121.324 121.223 0.055 0.000 2.468 292 L HA 0.218 4.553 4.340 -0.009 0.000 0.254 292 L C 0.944 177.866 176.870 0.087 0.000 1.171 292 L CA -0.647 54.233 54.840 0.067 0.000 0.809 292 L CB 0.393 42.505 42.059 0.089 0.000 1.155 292 L HN -0.190 nan 8.230 nan 0.000 0.473 293 D N 1.285 121.755 120.400 0.116 0.000 2.531 293 D HA 0.193 4.827 4.640 -0.009 0.000 0.239 293 D C 0.165 176.530 176.300 0.108 0.000 1.144 293 D CA 0.244 54.323 54.000 0.132 0.000 0.869 293 D CB 0.594 41.465 40.800 0.118 0.000 1.160 293 D HN 0.584 nan 8.370 nan 0.000 0.484 294 A N 2.267 125.155 122.820 0.114 0.000 2.567 294 A HA 0.415 4.729 4.320 -0.009 0.000 0.240 294 A C 1.696 179.331 177.584 0.086 0.000 1.053 294 A CA 0.471 52.577 52.037 0.115 0.000 0.755 294 A CB -0.347 18.719 19.000 0.110 0.000 0.978 294 A HN 1.005 nan 8.150 nan 0.000 0.507 295 G N 0.996 109.856 108.800 0.100 0.000 2.189 295 G HA2 -0.087 3.868 3.960 -0.009 0.000 0.267 295 G HA3 -0.087 3.868 3.960 -0.009 0.000 0.267 295 G C 1.126 176.076 174.900 0.083 0.000 0.975 295 G CA 1.186 46.343 45.100 0.096 0.000 0.644 295 G HN 2.080 nan 8.290 nan 0.000 0.537 296 A N -0.604 122.262 122.820 0.076 0.000 2.119 296 A HA 0.463 4.778 4.320 -0.009 0.000 0.217 296 A C 2.159 179.782 177.584 0.065 0.000 1.153 296 A CA 1.815 53.892 52.037 0.066 0.000 0.692 296 A CB -0.137 18.903 19.000 0.067 0.000 0.799 296 A HN 0.511 nan 8.150 nan 0.000 0.458 297 I N -1.509 119.102 120.570 0.069 0.000 3.443 297 I HA 0.153 4.317 4.170 -0.009 0.000 0.277 297 I C 0.278 176.431 176.117 0.061 0.000 1.169 297 I CA 0.741 62.074 61.300 0.055 0.000 1.419 297 I CB -0.685 37.340 38.000 0.042 0.000 1.331 297 I HN 0.218 nan 8.210 nan 0.000 0.458 298 E N 2.320 122.568 120.200 0.079 0.000 3.108 298 E HA 0.191 4.536 4.350 -0.009 0.000 0.228 298 E C -1.815 174.864 176.600 0.132 0.000 1.176 298 E CA -1.375 55.082 56.400 0.094 0.000 0.881 298 E CB 1.786 31.529 29.700 0.072 0.000 1.354 298 E HN 0.115 nan 8.360 nan 0.000 0.400 299 P HA -0.213 nan 4.420 nan 0.000 0.218 299 P C 1.215 178.693 177.300 0.297 0.000 1.149 299 P CA 0.985 64.231 63.100 0.243 0.000 0.817 299 P CB 0.246 32.111 31.700 0.276 0.000 0.785 300 Y N 1.857 122.147 120.300 -0.018 0.000 2.242 300 Y HA -0.120 4.425 4.550 -0.009 0.000 0.291 300 Y C 2.897 178.766 175.900 -0.051 0.000 1.137 300 Y CA 1.205 59.104 58.100 -0.335 0.000 1.181 300 Y CB -0.881 37.298 38.460 -0.469 0.000 0.989 300 Y HN -0.209 nan 8.280 nan 0.000 0.527 301 R N -0.327 120.177 120.500 0.007 0.000 2.091 301 R HA -0.192 4.143 4.340 -0.009 0.000 0.238 301 R C 2.185 178.477 176.300 -0.013 0.000 1.136 301 R CA 1.742 57.809 56.100 -0.055 0.000 0.959 301 R CB -0.676 29.629 30.300 0.008 0.000 0.856 301 R HN 0.409 nan 8.270 nan 0.000 0.437 302 L N 0.475 121.755 121.223 0.096 0.000 2.046 302 L HA -0.119 4.216 4.340 -0.009 0.000 0.208 302 L C 2.024 179.022 176.870 0.215 0.000 1.077 302 L CA 1.699 56.639 54.840 0.168 0.000 0.747 302 L CB -0.750 41.427 42.059 0.196 0.000 0.896 302 L HN 0.288 nan 8.230 nan 0.000 0.432 303 F N -0.481 119.501 119.950 0.053 0.000 2.134 303 F HA -0.185 4.337 4.527 -0.009 0.000 0.299 303 F C 1.974 177.743 175.800 -0.051 0.000 1.097 303 F CA 1.640 59.674 58.000 0.056 0.000 1.264 303 F CB -0.343 38.713 39.000 0.093 0.000 1.001 303 F HN 0.046 nan 8.300 nan 0.000 0.479 304 L N -0.474 120.529 121.223 -0.366 0.000 2.131 304 L HA -0.182 4.152 4.340 -0.009 0.000 0.210 304 L C 2.350 179.016 176.870 -0.339 0.000 1.092 304 L CA 0.717 55.260 54.840 -0.495 0.000 0.759 304 L CB -0.721 41.079 42.059 -0.433 0.000 0.903 304 L HN 0.080 nan 8.230 nan 0.000 0.435 305 V N -0.840 118.943 119.914 -0.218 0.000 2.358 305 V HA -0.252 3.863 4.120 -0.009 0.000 0.246 305 V C 2.161 178.084 176.094 -0.285 0.000 1.047 305 V CA 1.715 63.886 62.300 -0.214 0.000 1.035 305 V CB -0.500 31.199 31.823 -0.207 0.000 0.658 305 V HN 0.229 nan 8.190 nan 0.000 0.452 306 F N 0.886 120.700 119.950 -0.227 0.000 2.365 306 F HA -0.106 4.416 4.527 -0.008 0.000 0.300 306 F C 2.248 177.900 175.800 -0.248 0.000 1.090 306 F CA 1.619 59.506 58.000 -0.188 0.000 1.408 306 F CB -0.540 38.348 39.000 -0.187 0.000 1.060 306 F HN 0.245 nan 8.300 nan 0.000 0.534 307 N N 0.255 118.767 118.700 -0.314 0.000 2.166 307 N HA -0.175 4.559 4.740 -0.009 0.000 0.186 307 N C 1.722 177.119 175.510 -0.188 0.000 1.019 307 N CA 1.392 54.228 53.050 -0.356 0.000 0.856 307 N CB -0.070 38.082 38.487 -0.559 0.000 0.993 307 N HN 0.073 nan 8.380 nan 0.000 0.426 308 E N 0.256 120.354 120.200 -0.171 0.000 2.107 308 E HA -0.064 4.280 4.350 -0.009 0.000 0.191 308 E C 2.091 178.634 176.600 -0.094 0.000 0.982 308 E CA 0.484 56.807 56.400 -0.128 0.000 0.809 308 E CB -0.254 29.380 29.700 -0.110 0.000 0.756 308 E HN 0.475 nan 8.360 nan 0.000 0.459 309 L N 0.353 121.573 121.223 -0.005 0.000 2.017 309 L HA -0.146 4.189 4.340 -0.009 0.000 0.208 309 L C 2.536 179.499 176.870 0.155 0.000 1.073 309 L CA 0.858 55.809 54.840 0.185 0.000 0.745 309 L CB -0.585 41.638 42.059 0.275 0.000 0.894 309 L HN -0.019 nan 8.230 nan 0.000 0.432 310 V N 0.010 120.003 119.914 0.131 0.000 2.427 310 V HA -0.294 3.821 4.120 -0.009 0.000 0.248 310 V C 2.144 178.238 176.094 0.000 0.000 1.051 310 V CA 2.061 64.423 62.300 0.104 0.000 1.048 310 V CB -0.483 31.368 31.823 0.046 0.000 0.666 310 V HN 0.481 nan 8.190 nan 0.000 0.456 311 D N 0.324 120.685 120.400 -0.066 0.000 2.117 311 D HA -0.121 4.513 4.640 -0.009 0.000 0.198 311 D C 2.154 178.363 176.300 -0.151 0.000 0.982 311 D CA 1.389 55.331 54.000 -0.096 0.000 0.828 311 D CB -0.138 40.597 40.800 -0.108 0.000 0.967 311 D HN 0.345 nan 8.370 nan 0.000 0.464 312 A N 0.418 123.070 122.820 -0.280 0.000 1.917 312 A HA -0.257 4.057 4.320 -0.009 0.000 0.219 312 A C 2.180 179.556 177.584 -0.346 0.000 1.182 312 A CA 2.049 53.780 52.037 -0.511 0.000 0.633 312 A CB -0.858 17.394 19.000 -1.247 0.000 0.819 312 A HN 0.461 nan 8.150 nan 0.000 0.448 313 E N -0.319 119.790 120.200 -0.151 0.000 2.072 313 E HA -0.052 4.293 4.350 -0.009 0.000 0.191 313 E C 2.097 178.712 176.600 0.026 0.000 0.985 313 E CA 0.937 57.376 56.400 0.066 0.000 0.801 313 E CB -0.297 29.527 29.700 0.208 0.000 0.750 313 E HN 0.512 nan 8.360 nan 0.000 0.452 314 A N 0.937 123.756 122.820 -0.003 0.000 2.024 314 A HA -0.174 4.141 4.320 -0.009 0.000 0.220 314 A C 2.103 179.674 177.584 -0.021 0.000 1.164 314 A CA 1.479 53.511 52.037 -0.008 0.000 0.643 314 A CB -0.407 18.581 19.000 -0.020 0.000 0.806 314 A HN 0.179 nan 8.150 nan 0.000 0.451 315 R N -1.939 118.532 120.500 -0.048 0.000 2.246 315 R HA 0.207 4.542 4.340 -0.009 0.000 0.199 315 R C 1.253 177.536 176.300 -0.029 0.000 0.984 315 R CA 0.600 56.670 56.100 -0.050 0.000 1.015 315 R CB -0.016 30.233 30.300 -0.085 0.000 0.930 315 R HN 0.686 nan 8.270 nan 0.000 0.475 316 G N 1.075 109.869 108.800 -0.009 0.000 2.160 316 G HA2 -0.237 3.718 3.960 -0.009 0.000 0.244 316 G HA3 -0.237 3.718 3.960 -0.009 0.000 0.244 316 G C 0.099 175.017 174.900 0.030 0.000 1.022 316 G CA 0.030 45.147 45.100 0.028 0.000 0.741 316 G HN 0.125 nan 8.290 nan 0.000 0.508 317 V N 1.798 121.710 119.914 -0.004 0.000 2.694 317 V HA 0.272 4.387 4.120 -0.009 0.000 0.306 317 V C 1.167 177.323 176.094 0.103 0.000 1.054 317 V CA 0.585 62.887 62.300 0.004 0.000 1.161 317 V CB 1.157 32.925 31.823 -0.090 0.000 0.916 317 V HN 0.670 nan 8.190 nan 0.000 0.490 318 K N 3.997 124.450 120.400 0.089 0.000 2.118 318 K HA 0.454 4.769 4.320 -0.009 0.000 0.264 318 K C 0.782 177.476 176.600 0.156 0.000 1.000 318 K CA 0.294 56.652 56.287 0.117 0.000 0.929 318 K CB 1.053 33.599 32.500 0.076 0.000 1.021 318 K HN 1.203 nan 8.250 nan 0.000 0.463 319 G N 2.209 111.109 108.800 0.167 0.000 2.162 319 G HA2 -0.296 3.659 3.960 -0.009 0.000 0.260 319 G HA3 -0.296 3.659 3.960 -0.009 0.000 0.260 319 G C -0.399 174.644 174.900 0.237 0.000 0.976 319 G CA 0.457 45.661 45.100 0.172 0.000 0.655 319 G HN 0.640 nan 8.290 nan 0.000 0.533 320 F N 2.279 122.295 119.950 0.110 0.000 2.350 320 F HA 0.674 5.195 4.527 -0.009 0.000 0.365 320 F C 0.268 176.167 175.800 0.165 0.000 1.122 320 F CA -1.228 56.839 58.000 0.111 0.000 1.139 320 F CB 0.615 39.663 39.000 0.079 0.000 1.220 320 F HN 0.180 nan 8.300 nan 0.000 0.499 321 H N 7.317 126.118 119.070 -0.448 0.000 3.061 321 H HA 0.212 4.763 4.556 -0.009 0.000 0.210 321 H C -2.823 172.296 175.328 -0.348 0.000 1.326 321 H CA -1.126 54.690 56.048 -0.386 0.000 1.380 321 H CB 0.688 30.374 29.762 -0.126 0.000 2.147 321 H HN 0.424 nan 8.280 nan 0.000 0.562 322 P HA 0.259 nan 4.420 nan 0.000 0.269 322 P C -0.113 176.949 177.300 -0.397 0.000 1.215 322 P CA -0.283 62.583 63.100 -0.391 0.000 0.780 322 P CB 1.434 32.884 31.700 -0.416 0.000 0.898 323 A N 2.560 125.159 122.820 -0.367 0.000 2.293 323 A HA 0.480 4.794 4.320 -0.009 0.000 0.302 323 A C -0.575 176.785 177.584 -0.373 0.000 1.119 323 A CA -0.399 51.501 52.037 -0.229 0.000 0.823 323 A CB 0.032 18.988 19.000 -0.073 0.000 1.097 323 A HN 0.715 nan 8.150 nan 0.000 0.491 324 H N -0.108 119.028 119.070 0.110 0.000 2.609 324 H HA 0.631 5.182 4.556 -0.008 0.000 0.344 324 H C -0.826 174.649 175.328 0.246 0.000 1.040 324 H CA -0.183 56.028 56.048 0.273 0.000 1.216 324 H CB 1.592 31.555 29.762 0.336 0.000 1.529 324 H HN 0.624 nan 8.280 nan 0.000 0.519 325 M N 2.584 122.418 119.600 0.390 0.000 2.531 325 M HA 0.438 4.913 4.480 -0.009 0.000 0.286 325 M C -0.974 175.497 176.300 0.286 0.000 1.232 325 M CA -0.311 55.155 55.300 0.277 0.000 0.877 325 M CB 2.465 35.198 32.600 0.222 0.000 1.726 325 M HN 0.398 nan 8.290 nan 0.000 0.463 326 I N 1.247 121.904 120.570 0.146 0.000 2.385 326 I HA 0.359 4.524 4.170 -0.009 0.000 0.294 326 I C -0.712 175.345 176.117 -0.100 0.000 0.988 326 I CA -0.201 61.164 61.300 0.108 0.000 1.265 326 I CB 1.212 39.254 38.000 0.070 0.000 1.388 326 I HN 0.612 nan 8.210 nan 0.000 0.480 327 D N 6.581 126.931 120.400 -0.084 0.000 2.346 327 D HA 0.354 4.988 4.640 -0.009 0.000 0.255 327 D C -0.952 175.345 176.300 -0.005 0.000 1.276 327 D CA -0.213 53.718 54.000 -0.114 0.000 0.941 327 D CB 0.775 41.391 40.800 -0.307 0.000 1.199 327 D HN 0.473 nan 8.370 nan 0.000 0.537 328 Q N 1.356 121.131 119.800 -0.043 0.000 2.544 328 Q HA 0.626 4.961 4.340 -0.009 0.000 0.291 328 Q C -1.070 174.771 176.000 -0.265 0.000 1.068 328 Q CA -1.151 54.581 55.803 -0.118 0.000 0.785 328 Q CB 2.578 31.252 28.738 -0.107 0.000 1.481 328 Q HN 0.265 nan 8.270 nan 0.000 0.430 329 L N 1.515 122.494 121.223 -0.406 0.000 2.408 329 L HA 0.466 4.800 4.340 -0.009 0.000 0.268 329 L C -1.245 175.279 176.870 -0.577 0.000 0.986 329 L CA -0.478 54.144 54.840 -0.363 0.000 0.820 329 L CB 1.540 43.557 42.059 -0.070 0.000 1.303 329 L HN 0.739 nan 8.230 nan 0.000 0.411 330 H N 2.646 121.756 119.070 0.067 0.000 2.685 330 H HA 0.385 4.936 4.556 -0.008 0.000 0.307 330 H C 0.315 175.691 175.328 0.080 0.000 1.017 330 H CA -0.462 55.623 56.048 0.062 0.000 1.237 330 H CB 0.835 30.620 29.762 0.038 0.000 1.409 330 H HN 0.365 nan 8.280 nan 0.000 0.488 331 N N 1.848 120.635 118.700 0.145 0.000 2.388 331 N HA -0.030 4.704 4.740 -0.009 0.000 0.176 331 N C 0.897 176.499 175.510 0.152 0.000 1.062 331 N CA 0.614 53.758 53.050 0.157 0.000 0.895 331 N CB 1.095 39.676 38.487 0.157 0.000 1.018 331 N HN 0.486 nan 8.380 nan 0.000 0.456 332 V N -2.356 117.633 119.914 0.124 0.000 3.111 332 V HA 0.440 4.555 4.120 -0.009 0.000 0.343 332 V C 0.060 176.201 176.094 0.077 0.000 1.417 332 V CA -0.251 62.098 62.300 0.082 0.000 1.142 332 V CB -0.173 31.679 31.823 0.048 0.000 1.114 332 V HN 0.140 nan 8.190 nan 0.000 0.520 333 T N -3.739 110.876 114.554 0.102 0.000 2.812 333 T HA 0.474 4.819 4.350 -0.009 0.000 0.294 333 T C -1.211 173.532 174.700 0.071 0.000 1.159 333 T CA -0.314 61.832 62.100 0.077 0.000 1.008 333 T CB 2.128 71.036 68.868 0.067 0.000 1.289 333 T HN 0.156 nan 8.240 nan 0.000 0.514 334 D N 1.337 121.764 120.400 0.045 0.000 2.358 334 D HA 0.244 4.879 4.640 -0.009 0.000 0.258 334 D C -1.517 174.741 176.300 -0.069 0.000 1.223 334 D CA -1.929 52.096 54.000 0.041 0.000 0.886 334 D CB 1.360 42.217 40.800 0.095 0.000 1.120 334 D HN 0.117 nan 8.370 nan 0.000 0.482 335 P HA -0.161 nan 4.420 nan 0.000 0.216 335 P C 1.638 178.710 177.300 -0.380 0.000 1.154 335 P CA 1.097 64.039 63.100 -0.264 0.000 0.865 335 P CB 0.248 31.925 31.700 -0.039 0.000 0.789 336 I N -0.627 119.789 120.570 -0.257 0.000 2.226 336 I HA -0.231 3.934 4.170 -0.009 0.000 0.245 336 I C 2.244 178.079 176.117 -0.470 0.000 1.100 336 I CA 1.534 62.615 61.300 -0.364 0.000 1.374 336 I CB -0.665 37.083 38.000 -0.421 0.000 1.057 336 I HN 0.034 nan 8.210 nan 0.000 0.413 337 E N 0.421 120.347 120.200 -0.458 0.000 2.072 337 E HA -0.161 4.183 4.350 -0.009 0.000 0.191 337 E C 2.347 178.806 176.600 -0.235 0.000 0.985 337 E CA 1.401 57.595 56.400 -0.343 0.000 0.801 337 E CB -0.100 29.492 29.700 -0.179 0.000 0.750 337 E HN 0.340 nan 8.360 nan 0.000 0.452 338 S N 1.008 116.553 115.700 -0.259 0.000 2.368 338 S HA -0.080 4.384 4.470 -0.009 0.000 0.224 338 S C 2.025 176.498 174.600 -0.212 0.000 1.029 338 S CA 0.726 58.798 58.200 -0.213 0.000 0.988 338 S CB -0.128 62.921 63.200 -0.252 0.000 0.838 338 S HN 0.170 nan 8.310 nan 0.000 0.462 339 L N 0.845 121.869 121.223 -0.332 0.000 2.141 339 L HA -0.074 4.261 4.340 -0.009 0.000 0.209 339 L C 2.113 178.901 176.870 -0.136 0.000 1.094 339 L CA 0.903 55.627 54.840 -0.194 0.000 0.763 339 L CB -0.472 41.459 42.059 -0.214 0.000 0.908 339 L HN 0.317 nan 8.230 nan 0.000 0.437 340 I N -0.060 120.405 120.570 -0.175 0.000 2.113 340 I HA -0.301 3.864 4.170 -0.009 0.000 0.238 340 I C 2.052 178.116 176.117 -0.088 0.000 1.070 340 I CA 1.333 62.550 61.300 -0.137 0.000 1.332 340 I CB -0.324 37.569 38.000 -0.178 0.000 1.044 340 I HN 0.316 nan 8.210 nan 0.000 0.402 341 N N 0.375 119.024 118.700 -0.084 0.000 2.381 341 N HA -0.101 4.634 4.740 -0.009 0.000 0.182 341 N C 1.917 177.408 175.510 -0.032 0.000 1.025 341 N CA 0.965 53.985 53.050 -0.050 0.000 0.888 341 N CB -0.151 38.313 38.487 -0.038 0.000 0.965 341 N HN 0.192 nan 8.380 nan 0.000 0.438 342 S N 0.232 115.916 115.700 -0.025 0.000 2.371 342 S HA 0.053 4.518 4.470 -0.009 0.000 0.224 342 S C 2.037 176.626 174.600 -0.019 0.000 1.029 342 S CA 0.834 59.036 58.200 0.004 0.000 0.978 342 S CB -0.189 63.040 63.200 0.048 0.000 0.833 342 S HN 0.471 nan 8.310 nan 0.000 0.466 343 A N 2.292 125.098 122.820 -0.024 0.000 1.933 343 A HA -0.141 4.174 4.320 -0.009 0.000 0.218 343 A C 1.833 179.391 177.584 -0.042 0.000 1.175 343 A CA 1.538 53.563 52.037 -0.020 0.000 0.628 343 A CB -0.822 18.172 19.000 -0.011 0.000 0.814 343 A HN 0.608 nan 8.150 nan 0.000 0.444 344 N N -0.560 118.112 118.700 -0.046 0.000 2.084 344 N HA -0.158 4.576 4.740 -0.009 0.000 0.190 344 N C 1.627 177.087 175.510 -0.083 0.000 1.030 344 N CA 1.173 54.191 53.050 -0.054 0.000 0.849 344 N CB -0.132 38.328 38.487 -0.044 0.000 1.012 344 N HN 0.364 nan 8.380 nan 0.000 0.423 345 E N 1.091 121.247 120.200 -0.074 0.000 2.110 345 E HA -0.112 4.232 4.350 -0.009 0.000 0.193 345 E C 2.036 178.539 176.600 -0.163 0.000 0.988 345 E CA 0.673 57.024 56.400 -0.082 0.000 0.804 345 E CB -0.158 29.523 29.700 -0.031 0.000 0.745 345 E HN 0.472 nan 8.360 nan 0.000 0.458 346 I N 0.366 120.811 120.570 -0.209 0.000 2.252 346 I HA -0.237 3.928 4.170 -0.009 0.000 0.245 346 I C 2.543 178.299 176.117 -0.601 0.000 1.102 346 I CA 0.955 62.015 61.300 -0.402 0.000 1.385 346 I CB -0.159 37.633 38.000 -0.347 0.000 1.064 346 I HN -0.027 nan 8.210 nan 0.000 0.414 347 R N 0.126 120.412 120.500 -0.355 0.000 2.148 347 R HA -0.112 4.223 4.340 -0.009 0.000 0.223 347 R C 2.409 178.523 176.300 -0.310 0.000 1.088 347 R CA 0.774 56.667 56.100 -0.344 0.000 0.985 347 R CB -0.212 30.016 30.300 -0.120 0.000 0.880 347 R HN 0.309 nan 8.270 nan 0.000 0.451 348 R N 0.553 120.906 120.500 -0.246 0.000 2.066 348 R HA -0.101 4.233 4.340 -0.009 0.000 0.232 348 R C 2.093 178.274 176.300 -0.200 0.000 1.131 348 R CA 1.555 57.547 56.100 -0.181 0.000 0.955 348 R CB -0.198 30.029 30.300 -0.121 0.000 0.851 348 R HN 0.177 nan 8.270 nan 0.000 0.432 349 A N 0.072 122.731 122.820 -0.268 0.000 1.902 349 A HA -0.222 4.093 4.320 -0.009 0.000 0.217 349 A C 2.008 179.351 177.584 -0.401 0.000 1.181 349 A CA 1.340 53.266 52.037 -0.185 0.000 0.623 349 A CB -0.867 18.028 19.000 -0.175 0.000 0.818 349 A HN 0.620 nan 8.150 nan 0.000 0.443 350 Y N 0.754 120.383 120.300 -1.118 0.000 2.145 350 Y HA -0.085 4.460 4.550 -0.009 0.000 0.286 350 Y C 2.619 178.246 175.900 -0.455 0.000 1.145 350 Y CA 1.147 58.611 58.100 -1.061 0.000 1.148 350 Y CB -0.717 36.828 38.460 -1.524 0.000 0.981 350 Y HN 0.297 nan 8.280 nan 0.000 0.507 351 A N 0.210 122.760 122.820 -0.449 0.000 1.902 351 A HA -0.250 4.065 4.320 -0.009 0.000 0.217 351 A C 2.120 179.569 177.584 -0.224 0.000 1.181 351 A CA 1.986 53.804 52.037 -0.365 0.000 0.623 351 A CB -0.769 18.105 19.000 -0.210 0.000 0.818 351 A HN 0.673 nan 8.150 nan 0.000 0.443 352 Q N -0.692 119.056 119.800 -0.087 0.000 2.119 352 Q HA -0.041 4.294 4.340 -0.009 0.000 0.201 352 Q C 2.372 178.526 176.000 0.257 0.000 0.972 352 Q CA 1.267 57.116 55.803 0.078 0.000 0.847 352 Q CB -0.386 28.427 28.738 0.126 0.000 0.903 352 Q HN 0.682 nan 8.270 nan 0.000 0.433 353 A N 0.556 123.491 122.820 0.192 0.000 1.972 353 A HA -0.159 4.156 4.320 -0.009 0.000 0.219 353 A C 1.912 179.464 177.584 -0.053 0.000 1.169 353 A CA 1.021 53.087 52.037 0.048 0.000 0.635 353 A CB -0.373 18.569 19.000 -0.096 0.000 0.810 353 A HN 0.246 nan 8.150 nan 0.000 0.446 354 L N -0.406 120.697 121.223 -0.200 0.000 2.275 354 L HA -0.025 4.310 4.340 -0.009 0.000 0.215 354 L C 2.134 178.940 176.870 -0.106 0.000 1.119 354 L CA 1.210 55.917 54.840 -0.222 0.000 0.790 354 L CB -0.575 41.247 42.059 -0.395 0.000 0.919 354 L HN 0.390 nan 8.230 nan 0.000 0.443 355 L N -1.765 119.425 121.223 -0.055 0.000 2.492 355 L HA 0.030 4.365 4.340 -0.009 0.000 0.223 355 L C 0.658 177.540 176.870 0.021 0.000 1.132 355 L CA -0.358 54.467 54.840 -0.025 0.000 0.850 355 L CB -0.191 41.851 42.059 -0.029 0.000 0.966 355 L HN -0.143 nan 8.230 nan 0.000 0.454 356 V N 1.424 121.376 119.914 0.063 0.000 2.617 356 V HA -0.138 3.977 4.120 -0.009 0.000 0.304 356 V C 0.531 176.649 176.094 0.041 0.000 1.040 356 V CA 0.256 62.608 62.300 0.087 0.000 1.149 356 V CB 0.523 32.410 31.823 0.106 0.000 0.914 356 V HN 0.164 nan 8.190 nan 0.000 0.487 357 D N 5.607 126.036 120.400 0.047 0.000 2.435 357 D HA 0.080 4.715 4.640 -0.009 0.000 0.230 357 D C 1.374 177.685 176.300 0.018 0.000 1.215 357 D CA -0.321 53.693 54.000 0.024 0.000 0.947 357 D CB 0.475 41.292 40.800 0.029 0.000 1.048 357 D HN 0.357 nan 8.370 nan 0.000 0.512 358 R N 2.766 123.267 120.500 0.002 0.000 2.105 358 R HA -0.150 4.185 4.340 -0.009 0.000 0.239 358 R C 1.772 178.058 176.300 -0.023 0.000 1.135 358 R CA 1.232 57.327 56.100 -0.007 0.000 0.967 358 R CB -0.817 29.474 30.300 -0.016 0.000 0.861 358 R HN 0.481 nan 8.270 nan 0.000 0.442 359 A N 1.273 124.073 122.820 -0.034 0.000 1.858 359 A HA -0.048 4.267 4.320 -0.009 0.000 0.216 359 A C 2.447 179.970 177.584 -0.102 0.000 1.190 359 A CA 1.863 53.865 52.037 -0.059 0.000 0.617 359 A CB -0.693 18.274 19.000 -0.055 0.000 0.827 359 A HN 0.341 nan 8.150 nan 0.000 0.443 360 A N -0.582 122.176 122.820 -0.104 0.000 1.877 360 A HA -0.053 4.262 4.320 -0.009 0.000 0.216 360 A C 2.150 179.608 177.584 -0.209 0.000 1.186 360 A CA 1.802 53.710 52.037 -0.214 0.000 0.620 360 A CB -0.702 18.251 19.000 -0.079 0.000 0.822 360 A HN 0.681 nan 8.150 nan 0.000 0.443 361 L N 0.034 121.254 121.223 -0.004 0.000 2.012 361 L HA -0.149 4.186 4.340 -0.009 0.000 0.210 361 L C 2.639 179.526 176.870 0.028 0.000 1.073 361 L CA 2.681 57.573 54.840 0.088 0.000 0.748 361 L CB -0.912 41.193 42.059 0.077 0.000 0.891 361 L HN 0.381 nan 8.230 nan 0.000 0.431 362 S N -0.657 115.026 115.700 -0.027 0.000 2.374 362 S HA -0.172 4.293 4.470 -0.009 0.000 0.227 362 S C 2.077 176.643 174.600 -0.056 0.000 1.037 362 S CA 1.462 59.641 58.200 -0.035 0.000 1.024 362 S CB -0.964 62.209 63.200 -0.045 0.000 0.861 362 S HN 0.674 nan 8.310 nan 0.000 0.456 363 G N -0.588 108.127 108.800 -0.142 0.000 2.418 363 G HA2 -0.161 3.793 3.960 -0.009 0.000 0.217 363 G HA3 -0.161 3.793 3.960 -0.009 0.000 0.217 363 G C 1.141 175.967 174.900 -0.123 0.000 1.158 363 G CA 0.948 45.935 45.100 -0.189 0.000 0.771 363 G HN 0.602 nan 8.290 nan 0.000 0.545 364 Y N 0.943 121.243 120.300 0.000 0.000 2.352 364 Y HA -0.003 4.542 4.550 -0.009 0.000 0.292 364 Y C 3.043 178.943 175.900 0.001 0.000 1.136 364 Y CA 0.898 58.999 58.100 0.002 0.000 1.227 364 Y CB -0.360 38.104 38.460 0.007 0.000 0.991 364 Y HN 0.311 nan 8.280 nan 0.000 0.545 365 Q N -0.321 119.558 119.800 0.133 0.000 2.049 365 Q HA -0.136 4.199 4.340 -0.009 0.000 0.198 365 Q C 1.967 177.995 176.000 0.047 0.000 0.971 365 Q CA 1.106 56.954 55.803 0.075 0.000 0.833 365 Q CB -0.044 28.720 28.738 0.043 0.000 0.896 365 Q HN 0.336 nan 8.270 nan 0.000 0.434 366 E N 1.022 121.238 120.200 0.028 0.000 2.153 366 E HA -0.143 4.202 4.350 -0.009 0.000 0.194 366 E C 0.925 177.540 176.600 0.025 0.000 0.988 366 E CA 0.973 57.382 56.400 0.015 0.000 0.811 366 E CB -0.051 29.647 29.700 -0.004 0.000 0.746 366 E HN 0.350 nan 8.360 nan 0.000 0.466 367 D N 0.137 120.564 120.400 0.046 0.000 2.328 367 D HA 0.026 4.660 4.640 -0.009 0.000 0.221 367 D C -0.333 176.004 176.300 0.061 0.000 1.072 367 D CA -0.070 53.962 54.000 0.054 0.000 0.850 367 D CB -0.294 40.550 40.800 0.072 0.000 0.922 367 D HN 0.159 nan 8.370 nan 0.000 0.516 368 N N 1.480 120.216 118.700 0.059 0.000 2.727 368 N HA -0.184 4.551 4.740 -0.009 0.000 0.249 368 N C -0.631 174.907 175.510 0.047 0.000 1.048 368 N CA 0.366 53.444 53.050 0.046 0.000 0.714 368 N CB -0.590 37.915 38.487 0.029 0.000 0.959 368 N HN 0.097 nan 8.380 nan 0.000 0.544 369 D N 0.013 120.460 120.400 0.077 0.000 2.564 369 D HA 0.440 5.074 4.640 -0.009 0.000 0.226 369 D C 1.072 177.362 176.300 -0.016 0.000 1.149 369 D CA 0.238 54.258 54.000 0.034 0.000 0.994 369 D CB 0.175 41.026 40.800 0.085 0.000 1.029 369 D HN 0.375 nan 8.370 nan 0.000 0.517 370 A N 3.360 126.172 122.820 -0.012 0.000 1.908 370 A HA -0.182 4.133 4.320 -0.009 0.000 0.218 370 A C 2.069 179.622 177.584 -0.051 0.000 1.181 370 A CA 0.979 53.006 52.037 -0.016 0.000 0.627 370 A CB -0.455 18.541 19.000 -0.006 0.000 0.818 370 A HN 0.591 nan 8.150 nan 0.000 0.445 371 L N -1.359 119.816 121.223 -0.079 0.000 2.017 371 L HA -0.161 4.174 4.340 -0.009 0.000 0.208 371 L C 2.445 179.211 176.870 -0.173 0.000 1.073 371 L CA 1.757 56.538 54.840 -0.099 0.000 0.745 371 L CB -0.211 41.793 42.059 -0.092 0.000 0.894 371 L HN 0.277 nan 8.230 nan 0.000 0.432 372 M N -0.735 118.669 119.600 -0.327 0.000 2.319 372 M HA -0.044 4.431 4.480 -0.009 0.000 0.265 372 M C 2.391 178.406 176.300 -0.475 0.000 1.068 372 M CA 1.423 56.356 55.300 -0.611 0.000 1.118 372 M CB -1.411 30.375 32.600 -1.358 0.000 1.395 372 M HN 0.459 nan 8.290 nan 0.000 0.435 373 A N -0.668 122.016 122.820 -0.228 0.000 1.873 373 A HA -0.150 4.165 4.320 -0.009 0.000 0.215 373 A C 2.385 179.996 177.584 0.046 0.000 1.186 373 A CA 2.329 54.389 52.037 0.038 0.000 0.616 373 A CB -1.099 17.953 19.000 0.087 0.000 0.823 373 A HN 0.428 nan 8.150 nan 0.000 0.442 374 T N -1.069 113.493 114.554 0.013 0.000 2.904 374 T HA -0.103 4.242 4.350 -0.009 0.000 0.267 374 T C 1.884 176.618 174.700 0.057 0.000 1.059 374 T CA 1.739 63.874 62.100 0.059 0.000 1.137 374 T CB -0.210 68.686 68.868 0.047 0.000 0.879 374 T HN 0.586 nan 8.240 nan 0.000 0.467 375 E N 0.443 120.638 120.200 -0.009 0.000 2.204 375 E HA -0.058 4.287 4.350 -0.009 0.000 0.194 375 E C 2.101 178.718 176.600 0.029 0.000 0.989 375 E CA 1.465 57.856 56.400 -0.014 0.000 0.824 375 E CB -0.616 29.043 29.700 -0.069 0.000 0.756 375 E HN 0.392 nan 8.360 nan 0.000 0.477 376 T N 0.721 115.309 114.554 0.057 0.000 2.821 376 T HA -0.049 4.296 4.350 -0.009 0.000 0.267 376 T C 1.702 176.490 174.700 0.146 0.000 1.046 376 T CA 1.155 63.328 62.100 0.122 0.000 1.139 376 T CB -0.145 68.846 68.868 0.205 0.000 0.871 376 T HN 0.143 nan 8.240 nan 0.000 0.454 377 L N 0.314 121.646 121.223 0.182 0.000 2.072 377 L HA -0.028 4.306 4.340 -0.009 0.000 0.205 377 L C 2.730 179.749 176.870 0.248 0.000 1.079 377 L CA 0.932 55.954 54.840 0.304 0.000 0.752 377 L CB -0.364 41.918 42.059 0.372 0.000 0.906 377 L HN 0.058 nan 8.230 nan 0.000 0.436 378 K N 0.485 120.978 120.400 0.156 0.000 2.097 378 K HA -0.130 4.185 4.320 -0.009 0.000 0.206 378 K C 2.112 178.717 176.600 0.008 0.000 1.049 378 K CA 1.190 57.513 56.287 0.060 0.000 0.933 378 K CB -0.294 32.206 32.500 -0.001 0.000 0.717 378 K HN 0.314 nan 8.250 nan 0.000 0.442 379 R N 0.180 120.692 120.500 0.020 0.000 2.127 379 R HA -0.085 4.250 4.340 -0.009 0.000 0.238 379 R C 2.266 178.549 176.300 -0.028 0.000 1.134 379 R CA 1.324 57.419 56.100 -0.009 0.000 0.975 379 R CB -0.274 30.034 30.300 0.013 0.000 0.865 379 R HN 0.164 nan 8.270 nan 0.000 0.447 380 A N 0.138 122.965 122.820 0.010 0.000 1.874 380 A HA -0.163 4.152 4.320 -0.009 0.000 0.214 380 A C 1.939 179.441 177.584 -0.136 0.000 1.189 380 A CA 0.799 52.836 52.037 -0.000 0.000 0.615 380 A CB -0.636 18.455 19.000 0.151 0.000 0.830 380 A HN 0.406 nan 8.150 nan 0.000 0.443 381 Y N 0.795 120.819 120.300 -0.461 0.000 2.224 381 Y HA -0.125 4.419 4.550 -0.008 0.000 0.289 381 Y C 2.326 178.009 175.900 -0.363 0.000 1.146 381 Y CA 1.757 59.435 58.100 -0.703 0.000 1.182 381 Y CB -0.187 37.696 38.460 -0.962 0.000 0.983 381 Y HN 0.220 nan 8.280 nan 0.000 0.524 382 R N -0.298 119.997 120.500 -0.342 0.000 2.235 382 R HA -0.010 4.325 4.340 -0.009 0.000 0.213 382 R C 0.390 176.510 176.300 -0.300 0.000 1.059 382 R CA 0.890 56.781 56.100 -0.348 0.000 0.997 382 R CB -0.518 29.672 30.300 -0.184 0.000 0.884 382 R HN 0.161 nan 8.270 nan 0.000 0.462 383 T N 1.652 116.056 114.554 -0.250 0.000 2.853 383 T HA -0.040 4.305 4.350 -0.009 0.000 0.298 383 T C -0.126 174.445 174.700 -0.215 0.000 0.978 383 T CA 0.000 61.984 62.100 -0.193 0.000 1.152 383 T CB 0.856 69.636 68.868 -0.147 0.000 0.914 383 T HN -0.009 nan 8.240 nan 0.000 0.539 384 D N 3.284 123.579 120.400 -0.176 0.000 2.374 384 D HA 0.107 4.742 4.640 -0.009 0.000 0.240 384 D C 1.132 177.355 176.300 -0.129 0.000 1.229 384 D CA -0.703 53.201 54.000 -0.159 0.000 0.895 384 D CB 0.501 41.224 40.800 -0.128 0.000 1.046 384 D HN 0.345 nan 8.370 nan 0.000 0.498 385 V N 1.718 121.554 119.914 -0.130 0.000 3.646 385 V HA 0.097 4.212 4.120 -0.009 0.000 0.277 385 V C 1.731 177.786 176.094 -0.066 0.000 1.274 385 V CA 0.152 62.391 62.300 -0.102 0.000 1.164 385 V CB -0.018 31.737 31.823 -0.113 0.000 0.926 385 V HN 0.292 nan 8.190 nan 0.000 0.442 386 E N 2.546 122.709 120.200 -0.063 0.000 2.114 386 E HA -0.145 4.199 4.350 -0.009 0.000 0.199 386 E C -0.136 176.467 176.600 0.005 0.000 1.008 386 E CA 2.491 58.870 56.400 -0.036 0.000 0.810 386 E CB -1.498 28.179 29.700 -0.039 0.000 0.739 386 E HN 0.510 nan 8.360 nan 0.000 0.456 387 P HA -0.113 nan 4.420 nan 0.000 0.216 387 P C 1.234 178.664 177.300 0.218 0.000 1.150 387 P CA 1.335 64.507 63.100 0.121 0.000 0.837 387 P CB -0.035 31.734 31.700 0.115 0.000 0.786 388 I N -1.486 119.171 120.570 0.146 0.000 2.252 388 I HA -0.200 3.964 4.170 -0.009 0.000 0.245 388 I C 2.200 178.372 176.117 0.091 0.000 1.102 388 I CA 1.240 62.646 61.300 0.177 0.000 1.385 388 I CB -0.636 37.394 38.000 0.050 0.000 1.064 388 I HN -0.106 nan 8.210 nan 0.000 0.414 389 L N 0.580 121.822 121.223 0.032 0.000 2.046 389 L HA -0.175 4.160 4.340 -0.009 0.000 0.208 389 L C 2.897 179.774 176.870 0.011 0.000 1.077 389 L CA 1.368 56.212 54.840 0.007 0.000 0.747 389 L CB -0.938 41.109 42.059 -0.020 0.000 0.896 389 L HN 0.224 nan 8.230 nan 0.000 0.432 390 A N 0.250 123.080 122.820 0.015 0.000 1.877 390 A HA -0.243 4.072 4.320 -0.009 0.000 0.216 390 A C 2.224 179.796 177.584 -0.021 0.000 1.186 390 A CA 1.877 53.915 52.037 0.001 0.000 0.620 390 A CB -0.477 18.527 19.000 0.006 0.000 0.822 390 A HN 0.391 nan 8.150 nan 0.000 0.443 391 E N 0.336 120.515 120.200 -0.035 0.000 2.110 391 E HA -0.050 4.295 4.350 -0.009 0.000 0.193 391 E C 1.966 178.517 176.600 -0.081 0.000 0.988 391 E CA 1.543 57.860 56.400 -0.140 0.000 0.804 391 E CB -0.475 29.005 29.700 -0.367 0.000 0.745 391 E HN 0.457 nan 8.360 nan 0.000 0.458 392 A N 0.807 123.616 122.820 -0.018 0.000 1.902 392 A HA -0.199 4.116 4.320 -0.009 0.000 0.217 392 A C 2.237 179.825 177.584 0.007 0.000 1.181 392 A CA 1.726 53.766 52.037 0.004 0.000 0.623 392 A CB -0.472 18.545 19.000 0.027 0.000 0.818 392 A HN 0.217 nan 8.150 nan 0.000 0.443 393 R N -1.159 119.344 120.500 0.004 0.000 2.066 393 R HA -0.088 4.246 4.340 -0.009 0.000 0.232 393 R C 2.558 178.859 176.300 0.000 0.000 1.131 393 R CA 1.395 57.501 56.100 0.010 0.000 0.955 393 R CB -0.368 29.936 30.300 0.006 0.000 0.851 393 R HN 0.550 nan 8.270 nan 0.000 0.432 394 R N 1.190 121.678 120.500 -0.020 0.000 2.103 394 R HA -0.151 4.184 4.340 -0.009 0.000 0.242 394 R C 2.103 178.388 176.300 -0.025 0.000 1.142 394 R CA 1.663 57.746 56.100 -0.028 0.000 0.960 394 R CB -0.039 30.228 30.300 -0.056 0.000 0.858 394 R HN 0.172 nan 8.270 nan 0.000 0.439 395 R N -0.756 119.724 120.500 -0.033 0.000 2.189 395 R HA -0.036 4.299 4.340 -0.009 0.000 0.218 395 R C 1.493 177.796 176.300 0.005 0.000 1.074 395 R CA 1.573 57.659 56.100 -0.023 0.000 0.991 395 R CB 0.100 30.380 30.300 -0.034 0.000 0.883 395 R HN 0.366 nan 8.270 nan 0.000 0.457 396 T N -3.690 110.875 114.554 0.019 0.000 3.134 396 T HA 0.310 4.655 4.350 -0.009 0.000 0.260 396 T C 1.091 175.815 174.700 0.039 0.000 1.027 396 T CA 0.239 62.361 62.100 0.037 0.000 0.913 396 T CB 1.165 70.070 68.868 0.061 0.000 1.046 396 T HN 0.321 nan 8.240 nan 0.000 0.553 397 G N 0.029 108.849 108.800 0.035 0.000 2.159 397 G HA2 -0.026 3.928 3.960 -0.009 0.000 0.227 397 G HA3 -0.026 3.928 3.960 -0.009 0.000 0.227 397 G C 0.429 175.358 174.900 0.049 0.000 0.986 397 G CA -0.295 44.835 45.100 0.051 0.000 0.651 397 G HN 0.987 nan 8.290 nan 0.000 0.523 398 G N -0.442 108.377 108.800 0.032 0.000 2.583 398 G HA2 0.843 4.798 3.960 -0.009 0.000 0.280 398 G HA3 0.843 4.798 3.960 -0.009 0.000 0.280 398 G C 0.167 175.078 174.900 0.019 0.000 1.376 398 G CA 0.205 45.320 45.100 0.025 0.000 1.043 398 G HN 1.506 nan 8.290 nan 0.000 0.538 399 A N -1.344 121.485 122.820 0.015 0.000 2.324 399 A HA 0.574 4.888 4.320 -0.009 0.000 0.330 399 A C 1.141 178.727 177.584 0.004 0.000 1.165 399 A CA -0.498 51.546 52.037 0.012 0.000 0.813 399 A CB 1.657 20.670 19.000 0.021 0.000 1.197 399 A HN 0.668 nan 8.150 nan 0.000 0.484 400 V N 1.137 121.051 119.914 -0.001 0.000 2.287 400 V HA -0.110 4.005 4.120 -0.009 0.000 0.248 400 V C 0.819 176.912 176.094 -0.001 0.000 1.053 400 V CA 2.420 64.717 62.300 -0.006 0.000 1.027 400 V CB -0.313 31.505 31.823 -0.009 0.000 0.646 400 V HN 0.887 nan 8.190 nan 0.000 0.447 401 D N -1.379 119.023 120.400 0.004 0.000 2.438 401 D HA 0.244 4.878 4.640 -0.009 0.000 0.257 401 D C -1.944 174.366 176.300 0.017 0.000 1.148 401 D CA -2.103 51.902 54.000 0.007 0.000 0.902 401 D CB 1.926 42.732 40.800 0.009 0.000 1.062 401 D HN 0.052 nan 8.370 nan 0.000 0.518 402 P HA -0.187 nan 4.420 nan 0.000 0.214 402 P C 1.668 178.995 177.300 0.044 0.000 1.169 402 P CA 0.728 63.836 63.100 0.013 0.000 0.908 402 P CB 0.476 32.164 31.700 -0.018 0.000 0.791 403 V N -0.260 119.672 119.914 0.030 0.000 2.407 403 V HA -0.255 3.860 4.120 -0.009 0.000 0.248 403 V C 2.443 178.615 176.094 0.129 0.000 1.055 403 V CA 2.205 64.549 62.300 0.073 0.000 1.049 403 V CB -1.721 30.120 31.823 0.031 0.000 0.662 403 V HN 0.110 nan 8.190 nan 0.000 0.455 404 A N -0.374 122.491 122.820 0.076 0.000 1.902 404 A HA -0.215 4.100 4.320 -0.009 0.000 0.217 404 A C 2.400 180.024 177.584 0.067 0.000 1.181 404 A CA 2.478 54.552 52.037 0.062 0.000 0.623 404 A CB -0.896 18.125 19.000 0.035 0.000 0.818 404 A HN 0.503 nan 8.150 nan 0.000 0.443 405 T N -1.589 113.008 114.554 0.072 0.000 2.777 405 T HA -0.140 4.205 4.350 -0.009 0.000 0.266 405 T C 1.791 176.546 174.700 0.091 0.000 1.040 405 T CA 1.536 63.674 62.100 0.064 0.000 1.141 405 T CB -0.445 68.456 68.868 0.056 0.000 0.868 405 T HN 0.568 nan 8.240 nan 0.000 0.444 406 Y N 2.422 122.722 120.300 0.001 0.000 2.128 406 Y HA -0.195 4.350 4.550 -0.009 0.000 0.284 406 Y C 2.456 178.381 175.900 0.042 0.000 1.154 406 Y CA 1.395 59.500 58.100 0.009 0.000 1.149 406 Y CB -0.195 38.259 38.460 -0.010 0.000 0.976 406 Y HN 0.017 nan 8.280 nan 0.000 0.505 407 R N -0.149 120.371 120.500 0.033 0.000 2.075 407 R HA -0.091 4.244 4.340 -0.009 0.000 0.232 407 R C 2.521 178.778 176.300 -0.072 0.000 1.126 407 R CA 1.083 57.148 56.100 -0.059 0.000 0.963 407 R CB -0.697 29.633 30.300 0.050 0.000 0.858 407 R HN 0.442 nan 8.270 nan 0.000 0.435 408 A N 1.244 124.049 122.820 -0.024 0.000 1.972 408 A HA -0.176 4.138 4.320 -0.009 0.000 0.219 408 A C 2.210 179.773 177.584 -0.035 0.000 1.169 408 A CA 1.855 53.879 52.037 -0.021 0.000 0.635 408 A CB -0.471 18.528 19.000 -0.002 0.000 0.810 408 A HN 0.443 nan 8.150 nan 0.000 0.446 409 S N -1.409 114.261 115.700 -0.049 0.000 2.453 409 S HA 0.262 4.727 4.470 -0.009 0.000 0.231 409 S C 1.600 176.169 174.600 -0.052 0.000 1.005 409 S CA 1.291 59.471 58.200 -0.035 0.000 0.949 409 S CB -0.714 62.480 63.200 -0.011 0.000 0.774 409 S HN 1.982 nan 8.310 nan 0.000 0.510 410 G N 0.286 109.016 108.800 -0.116 0.000 2.160 410 G HA2 -0.385 3.570 3.960 -0.009 0.000 0.251 410 G HA3 -0.385 3.570 3.960 -0.009 0.000 0.251 410 G C 0.232 175.061 174.900 -0.117 0.000 1.008 410 G CA 0.501 45.533 45.100 -0.113 0.000 0.724 410 G HN 0.626 nan 8.290 nan 0.000 0.514 411 Y N 0.931 121.055 120.300 -0.293 0.000 2.114 411 Y HA -0.217 4.328 4.550 -0.009 0.000 0.282 411 Y C 2.800 178.616 175.900 -0.141 0.000 1.165 411 Y CA 2.862 60.837 58.100 -0.208 0.000 1.148 411 Y CB -0.212 38.117 38.460 -0.219 0.000 0.972 411 Y HN 0.338 nan 8.280 nan 0.000 0.504 412 R N 0.947 121.356 120.500 -0.151 0.000 2.096 412 R HA -0.175 4.160 4.340 -0.009 0.000 0.240 412 R C 2.271 178.497 176.300 -0.124 0.000 1.139 412 R CA 1.920 57.983 56.100 -0.061 0.000 0.952 412 R CB -1.291 29.037 30.300 0.048 0.000 0.854 412 R HN 0.425 nan 8.270 nan 0.000 0.436 413 A N 0.712 123.462 122.820 -0.116 0.000 1.972 413 A HA -0.155 4.159 4.320 -0.009 0.000 0.219 413 A C 2.263 179.773 177.584 -0.122 0.000 1.169 413 A CA 1.561 53.543 52.037 -0.091 0.000 0.635 413 A CB -0.644 18.314 19.000 -0.069 0.000 0.810 413 A HN 0.458 nan 8.150 nan 0.000 0.446 414 R N 0.311 120.700 120.500 -0.185 0.000 2.070 414 R HA -0.131 4.204 4.340 -0.009 0.000 0.233 414 R C 2.011 178.176 176.300 -0.225 0.000 1.137 414 R CA 2.369 58.349 56.100 -0.200 0.000 0.945 414 R CB -0.636 29.517 30.300 -0.245 0.000 0.845 414 R HN 0.476 nan 8.270 nan 0.000 0.430 415 V N -1.348 118.354 119.914 -0.352 0.000 2.626 415 V HA 0.041 4.156 4.120 -0.009 0.000 0.252 415 V C 2.354 178.376 176.094 -0.120 0.000 1.067 415 V CA 1.467 63.615 62.300 -0.253 0.000 1.081 415 V CB -0.944 30.691 31.823 -0.315 0.000 0.686 415 V HN 0.400 nan 8.190 nan 0.000 0.468 416 A N 0.761 123.520 122.820 -0.102 0.000 1.969 416 A HA 0.208 4.523 4.320 -0.009 0.000 0.218 416 A C 2.351 179.911 177.584 -0.040 0.000 1.169 416 A CA 1.796 53.804 52.037 -0.048 0.000 0.635 416 A CB -0.751 18.228 19.000 -0.035 0.000 0.810 416 A HN 0.907 nan 8.150 nan 0.000 0.445 417 A N -0.461 122.326 122.820 -0.055 0.000 2.169 417 A HA 0.064 4.379 4.320 -0.009 0.000 0.212 417 A C 1.674 179.239 177.584 -0.033 0.000 1.153 417 A CA 1.109 53.123 52.037 -0.039 0.000 0.756 417 A CB -0.213 18.761 19.000 -0.043 0.000 0.813 417 A HN 0.634 nan 8.150 nan 0.000 0.471 418 E N -0.625 119.551 120.200 -0.041 0.000 2.389 418 E HA 0.089 4.434 4.350 -0.009 0.000 0.199 418 E C 0.085 176.679 176.600 -0.010 0.000 0.978 418 E CA -0.004 56.380 56.400 -0.026 0.000 0.912 418 E CB 0.337 30.016 29.700 -0.035 0.000 0.907 418 E HN 0.418 nan 8.360 nan 0.000 0.494 419 R N 1.869 122.363 120.500 -0.010 0.000 2.445 419 R HA 0.356 4.690 4.340 -0.009 0.000 0.308 419 R C -2.662 173.643 176.300 0.008 0.000 0.961 419 R CA -1.980 54.124 56.100 0.007 0.000 0.862 419 R CB 1.171 31.479 30.300 0.013 0.000 1.144 419 R HN -0.130 nan 8.270 nan 0.000 0.447 420 P HA 0.170 nan 4.420 nan 0.000 0.287 420 P C -0.899 176.411 177.300 0.018 0.000 1.294 420 P CA -0.211 62.898 63.100 0.014 0.000 0.776 420 P CB 1.428 33.138 31.700 0.016 0.000 0.889 421 A N 2.730 125.561 122.820 0.017 0.000 2.272 421 A HA 0.299 4.614 4.320 -0.009 0.000 0.275 421 A C 1.653 179.248 177.584 0.019 0.000 1.096 421 A CA -0.034 52.016 52.037 0.021 0.000 0.822 421 A CB -0.045 18.970 19.000 0.024 0.000 1.088 421 A HN 0.449 nan 8.150 nan 0.000 0.495 422 S N -1.420 114.292 115.700 0.019 0.000 2.370 422 S HA 0.015 4.480 4.470 -0.009 0.000 0.226 422 S C 0.735 175.345 174.600 0.017 0.000 1.033 422 S CA 1.590 59.800 58.200 0.016 0.000 1.011 422 S CB -0.567 62.641 63.200 0.013 0.000 0.852 422 S HN 1.527 nan 8.310 nan 0.000 0.457 423 V N -2.831 117.095 119.914 0.021 0.000 2.891 423 V HA 0.979 5.094 4.120 -0.009 0.000 0.304 423 V C -0.767 175.341 176.094 0.023 0.000 1.171 423 V CA -0.559 61.754 62.300 0.021 0.000 0.943 423 V CB 1.294 33.130 31.823 0.022 0.000 1.037 423 V HN 0.306 nan 8.190 nan 0.000 0.427 424 A N 0.000 122.832 122.820 0.019 0.000 2.254 424 A HA 0.000 4.315 4.320 -0.009 0.000 0.244 424 A CA 0.000 52.048 52.037 0.019 0.000 0.836 424 A CB 0.000 19.011 19.000 0.018 0.000 0.831 424 A HN 0.000 nan 8.150 nan 0.000 0.486