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 3iud_1_A 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 HMIDQSHNVT DPIESLINSA NEIRRAYAQA DATA SEQUENCE LLVDRAALSG YQEDNDALMA TETLKRAYRT DVEPILAEAR RRTGGAVDPV DATA SEQUENCE ATYRASGYRA RVAAERPAS 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 0.000 175.824 175.800 0.039 0.000 0.967 4 F CA 0.000 58.012 58.000 0.020 0.000 1.383 4 F CB 0.000 39.008 39.000 0.014 0.000 1.145 5 R N 1.301 121.910 120.500 0.182 0.000 2.081 5 R HA 0.078 4.419 4.340 0.001 0.000 0.235 5 R C 0.501 176.911 176.300 0.183 0.000 1.131 5 R CA 1.132 57.334 56.100 0.171 0.000 0.960 5 R CB 0.062 30.396 30.300 0.057 0.000 0.856 5 R HN 0.298 nan 8.270 nan 0.000 0.436 6 I N 1.068 121.721 120.570 0.138 0.000 2.378 6 I HA 0.252 4.423 4.170 0.001 0.000 0.291 6 I C 0.128 176.294 176.117 0.081 0.000 0.992 6 I CA -1.708 59.650 61.300 0.097 0.000 1.154 6 I CB 1.116 39.140 38.000 0.041 0.000 1.315 6 I HN -0.062 nan 8.210 nan 0.000 0.448 7 A N 6.309 129.160 122.820 0.051 0.000 2.566 7 A HA 0.011 4.332 4.320 0.001 0.000 0.245 7 A C 1.326 178.860 177.584 -0.084 0.000 1.056 7 A CA 0.159 52.192 52.037 -0.007 0.000 0.757 7 A CB 0.024 19.023 19.000 -0.002 0.000 0.979 7 A HN 0.828 nan 8.150 nan 0.000 0.508 8 Q N 1.633 121.310 119.800 -0.205 0.000 2.135 8 Q HA -0.263 4.078 4.340 0.001 0.000 0.204 8 Q C 1.379 177.290 176.000 -0.149 0.000 0.981 8 Q CA 2.008 57.653 55.803 -0.265 0.000 0.856 8 Q CB -0.218 28.249 28.738 -0.452 0.000 0.902 8 Q HN 1.075 nan 8.270 nan 0.000 0.425 9 D N -0.250 120.083 120.400 -0.111 0.000 2.219 9 D HA -0.130 4.511 4.640 0.001 0.000 0.205 9 D C 1.690 177.958 176.300 -0.053 0.000 0.970 9 D CA 0.838 54.795 54.000 -0.073 0.000 0.851 9 D CB -0.164 40.603 40.800 -0.055 0.000 0.943 9 D HN 0.016 nan 8.370 nan 0.000 0.488 10 V N 0.446 120.332 119.914 -0.046 0.000 2.270 10 V HA -0.213 3.907 4.120 0.001 0.000 0.245 10 V C 2.705 178.781 176.094 -0.029 0.000 1.043 10 V CA 1.384 63.667 62.300 -0.029 0.000 1.014 10 V CB -0.383 31.430 31.823 -0.017 0.000 0.645 10 V HN 0.225 nan 8.190 nan 0.000 0.447 11 V N 0.563 120.454 119.914 -0.038 0.000 2.332 11 V HA -0.290 3.831 4.120 0.001 0.000 0.248 11 V C 2.729 178.801 176.094 -0.037 0.000 1.055 11 V CA 2.110 64.390 62.300 -0.032 0.000 1.038 11 V CB -1.353 30.445 31.823 -0.043 0.000 0.651 11 V HN 0.552 nan 8.190 nan 0.000 0.450 12 A N 0.200 122.989 122.820 -0.051 0.000 1.865 12 A HA -0.289 4.032 4.320 0.001 0.000 0.217 12 A C 2.427 179.990 177.584 -0.034 0.000 1.191 12 A CA 2.299 54.308 52.037 -0.047 0.000 0.623 12 A CB -0.647 18.319 19.000 -0.057 0.000 0.826 12 A HN 0.495 nan 8.150 nan 0.000 0.444 13 R N -0.609 119.872 120.500 -0.032 0.000 2.094 13 R HA -0.186 4.155 4.340 0.001 0.000 0.239 13 R C 1.978 178.267 176.300 -0.019 0.000 1.137 13 R CA 1.859 57.945 56.100 -0.024 0.000 0.943 13 R CB -0.270 30.017 30.300 -0.021 0.000 0.850 13 R HN 0.462 nan 8.270 nan 0.000 0.433 14 E N 0.431 120.621 120.200 -0.016 0.000 2.110 14 E HA -0.165 4.186 4.350 0.001 0.000 0.193 14 E C 1.659 178.252 176.600 -0.011 0.000 0.988 14 E CA 1.259 57.653 56.400 -0.010 0.000 0.804 14 E CB -0.428 29.270 29.700 -0.004 0.000 0.745 14 E HN 0.550 nan 8.360 nan 0.000 0.458 15 N N 0.585 119.275 118.700 -0.016 0.000 2.216 15 N HA -0.149 4.592 4.740 0.001 0.000 0.183 15 N C 1.555 177.053 175.510 -0.020 0.000 1.017 15 N CA 0.888 53.927 53.050 -0.018 0.000 0.861 15 N CB -0.022 38.450 38.487 -0.024 0.000 0.986 15 N HN 0.054 nan 8.380 nan 0.000 0.428 16 D N 1.364 121.751 120.400 -0.022 0.000 2.097 16 D HA -0.149 4.492 4.640 0.001 0.000 0.195 16 D C 1.882 178.172 176.300 -0.017 0.000 0.989 16 D CA 0.948 54.935 54.000 -0.021 0.000 0.827 16 D CB -0.056 40.731 40.800 -0.022 0.000 0.966 16 D HN 0.032 nan 8.370 nan 0.000 0.456 17 R N -0.141 120.351 120.500 -0.014 0.000 2.211 17 R HA -0.096 4.245 4.340 0.001 0.000 0.240 17 R C 1.436 177.730 176.300 -0.009 0.000 1.144 17 R CA 1.184 57.278 56.100 -0.011 0.000 0.992 17 R CB 0.050 30.345 30.300 -0.008 0.000 0.869 17 R HN 0.185 nan 8.270 nan 0.000 0.462 18 R N -1.454 119.040 120.500 -0.010 0.000 2.437 18 R HA 0.235 4.576 4.340 0.001 0.000 0.257 18 R C 1.868 178.161 176.300 -0.012 0.000 0.927 18 R CA 0.384 56.479 56.100 -0.008 0.000 1.078 18 R CB 0.470 30.767 30.300 -0.006 0.000 1.161 18 R HN 0.099 nan 8.270 nan 0.000 0.529 19 A N 1.177 123.987 122.820 -0.017 0.000 1.873 19 A HA -0.274 4.046 4.320 0.001 0.000 0.218 19 A C 2.159 179.732 177.584 -0.019 0.000 1.193 19 A CA 2.291 54.314 52.037 -0.024 0.000 0.629 19 A CB -0.762 18.222 19.000 -0.028 0.000 0.826 19 A HN 0.287 nan 8.150 nan 0.000 0.447 20 S N -0.582 115.110 115.700 -0.013 0.000 2.353 20 S HA -0.107 4.364 4.470 0.001 0.000 0.222 20 S C 2.189 176.788 174.600 -0.002 0.000 1.035 20 S CA 1.899 60.094 58.200 -0.009 0.000 1.025 20 S CB -0.562 62.634 63.200 -0.008 0.000 0.902 20 S HN 0.937 nan 8.310 nan 0.000 0.440 21 A N 1.134 123.953 122.820 -0.002 0.000 1.933 21 A HA 0.022 4.343 4.320 0.001 0.000 0.218 21 A C 2.157 179.748 177.584 0.012 0.000 1.175 21 A CA 1.616 53.655 52.037 0.003 0.000 0.628 21 A CB -0.832 18.168 19.000 0.001 0.000 0.814 21 A HN 0.582 nan 8.150 nan 0.000 0.444 22 L N 0.156 121.384 121.223 0.009 0.000 2.017 22 L HA -0.130 4.210 4.340 0.001 0.000 0.208 22 L C 2.275 179.172 176.870 0.045 0.000 1.073 22 L CA 2.718 57.572 54.840 0.023 0.000 0.745 22 L CB -0.666 41.391 42.059 -0.004 0.000 0.894 22 L HN 0.455 nan 8.230 nan 0.000 0.432 23 K N -0.854 119.554 120.400 0.014 0.000 2.074 23 K HA -0.217 4.104 4.320 0.001 0.000 0.209 23 K C 1.908 178.546 176.600 0.064 0.000 1.048 23 K CA 1.719 58.020 56.287 0.024 0.000 0.926 23 K CB -0.049 32.449 32.500 -0.004 0.000 0.713 23 K HN 0.390 nan 8.250 nan 0.000 0.444 24 E N 1.217 121.442 120.200 0.041 0.000 2.028 24 E HA -0.175 4.176 4.350 0.001 0.000 0.191 24 E C 1.849 178.475 176.600 0.043 0.000 0.988 24 E CA 1.248 57.669 56.400 0.035 0.000 0.799 24 E CB -0.423 29.287 29.700 0.016 0.000 0.755 24 E HN 0.436 nan 8.360 nan 0.000 0.447 25 D N 0.059 120.486 120.400 0.045 0.000 2.117 25 D HA -0.168 4.472 4.640 0.001 0.000 0.197 25 D C 1.982 178.313 176.300 0.050 0.000 0.987 25 D CA 0.896 54.916 54.000 0.033 0.000 0.829 25 D CB -0.504 40.312 40.800 0.027 0.000 0.961 25 D HN 0.226 nan 8.370 nan 0.000 0.460 26 Y N 1.814 122.097 120.300 -0.028 0.000 2.163 26 Y HA -0.163 4.388 4.550 0.002 0.000 0.288 26 Y C 2.192 178.077 175.900 -0.026 0.000 1.136 26 Y CA 1.687 59.770 58.100 -0.028 0.000 1.147 26 Y CB 0.071 38.517 38.460 -0.024 0.000 0.987 26 Y HN -0.057 nan 8.280 nan 0.000 0.509 27 E N -0.060 120.265 120.200 0.208 0.000 2.150 27 E HA -0.188 4.163 4.350 0.001 0.000 0.193 27 E C 2.294 178.896 176.600 0.003 0.000 0.985 27 E CA 0.792 57.258 56.400 0.111 0.000 0.814 27 E CB -0.266 29.497 29.700 0.105 0.000 0.752 27 E HN 0.587 nan 8.360 nan 0.000 0.466 28 A N 1.411 124.226 122.820 -0.008 0.000 1.873 28 A HA -0.149 4.171 4.320 0.001 0.000 0.215 28 A C 2.184 179.724 177.584 -0.074 0.000 1.186 28 A CA 0.962 52.979 52.037 -0.033 0.000 0.616 28 A CB -0.515 18.469 19.000 -0.027 0.000 0.823 28 A HN 0.231 nan 8.150 nan 0.000 0.442 29 L N 0.245 121.400 121.223 -0.114 0.000 2.083 29 L HA -0.018 4.323 4.340 0.001 0.000 0.209 29 L C 2.318 179.067 176.870 -0.201 0.000 1.083 29 L CA 2.241 56.980 54.840 -0.169 0.000 0.752 29 L CB -0.997 40.925 42.059 -0.228 0.000 0.899 29 L HN 0.295 nan 8.230 nan 0.000 0.433 30 G N -1.014 107.644 108.800 -0.236 0.000 2.421 30 G HA2 -0.253 3.708 3.960 0.001 0.000 0.216 30 G HA3 -0.253 3.708 3.960 0.001 0.000 0.216 30 G C 1.609 176.446 174.900 -0.105 0.000 1.171 30 G CA 0.810 45.791 45.100 -0.199 0.000 0.775 30 G HN 0.627 nan 8.290 nan 0.000 0.543 31 A N 1.123 123.900 122.820 -0.072 0.000 1.902 31 A HA -0.145 4.176 4.320 0.001 0.000 0.217 31 A C 2.220 179.772 177.584 -0.054 0.000 1.181 31 A CA 1.960 53.968 52.037 -0.048 0.000 0.623 31 A CB -0.642 18.338 19.000 -0.033 0.000 0.818 31 A HN 0.463 nan 8.150 nan 0.000 0.443 32 N N 0.257 118.917 118.700 -0.066 0.000 2.120 32 N HA -0.113 4.628 4.740 0.001 0.000 0.188 32 N C 1.766 177.236 175.510 -0.067 0.000 1.024 32 N CA 1.536 54.548 53.050 -0.064 0.000 0.852 32 N CB -0.228 38.215 38.487 -0.073 0.000 1.003 32 N HN 0.514 nan 8.380 nan 0.000 0.424 33 L N 0.748 121.920 121.223 -0.086 0.000 2.093 33 L HA -0.075 4.265 4.340 0.001 0.000 0.208 33 L C 2.734 179.568 176.870 -0.060 0.000 1.085 33 L CA 1.052 55.843 54.840 -0.082 0.000 0.755 33 L CB -0.588 41.405 42.059 -0.110 0.000 0.904 33 L HN 0.177 nan 8.230 nan 0.000 0.435 34 A N 0.280 123.066 122.820 -0.056 0.000 1.908 34 A HA -0.221 4.100 4.320 0.001 0.000 0.218 34 A C 2.340 179.905 177.584 -0.031 0.000 1.181 34 A CA 1.470 53.483 52.037 -0.039 0.000 0.627 34 A CB -0.503 18.477 19.000 -0.033 0.000 0.818 34 A HN 0.329 nan 8.150 nan 0.000 0.445 35 R N -0.874 119.607 120.500 -0.033 0.000 2.193 35 R HA -0.053 4.288 4.340 0.001 0.000 0.229 35 R C 1.570 177.856 176.300 -0.024 0.000 1.110 35 R CA 1.281 57.365 56.100 -0.026 0.000 0.988 35 R CB -0.164 30.119 30.300 -0.027 0.000 0.871 35 R HN 0.466 nan 8.270 nan 0.000 0.458 36 R N -0.672 119.811 120.500 -0.029 0.000 2.359 36 R HA 0.123 4.464 4.340 0.001 0.000 0.231 36 R C 0.759 177.046 176.300 -0.021 0.000 0.913 36 R CA 0.464 56.550 56.100 -0.023 0.000 1.075 36 R CB 0.886 31.169 30.300 -0.029 0.000 1.087 36 R HN 0.296 nan 8.270 nan 0.000 0.515 37 G N 0.608 109.395 108.800 -0.023 0.000 2.136 37 G HA2 -0.241 3.720 3.960 0.001 0.000 0.242 37 G HA3 -0.241 3.720 3.960 0.001 0.000 0.242 37 G C -0.062 174.823 174.900 -0.025 0.000 0.989 37 G CA 0.030 45.117 45.100 -0.021 0.000 0.682 37 G HN 0.149 nan 8.290 nan 0.000 0.522 38 V N 0.870 120.763 119.914 -0.034 0.000 2.459 38 V HA 0.497 4.618 4.120 0.001 0.000 0.295 38 V C -0.168 175.899 176.094 -0.046 0.000 1.029 38 V CA -0.967 61.308 62.300 -0.041 0.000 0.874 38 V CB 1.942 33.733 31.823 -0.053 0.000 0.985 38 V HN 0.321 nan 8.190 nan 0.000 0.438 39 D N 3.834 124.211 120.400 -0.037 0.000 2.365 39 D HA 0.158 4.798 4.640 0.001 0.000 0.237 39 D C 0.995 177.270 176.300 -0.042 0.000 1.190 39 D CA -0.096 53.886 54.000 -0.030 0.000 0.867 39 D CB 1.374 42.166 40.800 -0.014 0.000 1.050 39 D HN 0.573 nan 8.370 nan 0.000 0.491 40 I N 3.730 124.262 120.570 -0.064 0.000 2.264 40 I HA -0.239 3.932 4.170 0.001 0.000 0.248 40 I C 1.648 177.757 176.117 -0.014 0.000 1.111 40 I CA 1.070 62.312 61.300 -0.098 0.000 1.382 40 I CB 0.352 38.211 38.000 -0.235 0.000 1.060 40 I HN 0.349 nan 8.210 nan 0.000 0.418 41 E N 1.113 121.336 120.200 0.038 0.000 2.085 41 E HA -0.237 4.114 4.350 0.001 0.000 0.194 41 E C 2.237 178.864 176.600 0.045 0.000 0.994 41 E CA 1.466 57.913 56.400 0.078 0.000 0.801 41 E CB -0.474 29.267 29.700 0.069 0.000 0.743 41 E HN 0.651 nan 8.360 nan 0.000 0.453 42 A N 0.870 123.700 122.820 0.018 0.000 1.972 42 A HA -0.125 4.195 4.320 0.001 0.000 0.219 42 A C 2.590 180.172 177.584 -0.002 0.000 1.169 42 A CA 1.361 53.404 52.037 0.010 0.000 0.635 42 A CB -0.471 18.528 19.000 -0.001 0.000 0.810 42 A HN 0.141 nan 8.150 nan 0.000 0.446 43 V N -0.584 119.317 119.914 -0.022 0.000 2.379 43 V HA -0.174 3.947 4.120 0.001 0.000 0.245 43 V C 2.691 178.775 176.094 -0.017 0.000 1.044 43 V CA 2.333 64.600 62.300 -0.054 0.000 1.036 43 V CB -1.169 30.600 31.823 -0.090 0.000 0.664 43 V HN 0.581 nan 8.190 nan 0.000 0.453 44 T N 0.607 115.178 114.554 0.028 0.000 2.788 44 T HA -0.128 4.223 4.350 0.001 0.000 0.268 44 T C 2.069 176.805 174.700 0.060 0.000 1.044 44 T CA 1.495 63.637 62.100 0.070 0.000 1.139 44 T CB -0.392 68.565 68.868 0.148 0.000 0.867 44 T HN 0.547 nan 8.240 nan 0.000 0.454 45 A N 1.879 124.730 122.820 0.052 0.000 1.933 45 A HA -0.123 4.198 4.320 0.001 0.000 0.218 45 A C 2.276 179.893 177.584 0.054 0.000 1.175 45 A CA 1.376 53.443 52.037 0.049 0.000 0.628 45 A CB -0.332 18.694 19.000 0.043 0.000 0.814 45 A HN 0.439 nan 8.150 nan 0.000 0.444 46 K N -0.561 119.876 120.400 0.063 0.000 2.116 46 K HA 0.025 4.346 4.320 0.001 0.000 0.203 46 K C 1.886 178.601 176.600 0.191 0.000 1.052 46 K CA 1.092 57.450 56.287 0.118 0.000 0.952 46 K CB -0.304 32.268 32.500 0.120 0.000 0.729 46 K HN 0.298 nan 8.250 nan 0.000 0.446 47 V N 2.961 122.967 119.914 0.153 0.000 2.295 47 V HA -0.256 3.865 4.120 0.001 0.000 0.246 47 V C 2.285 178.429 176.094 0.082 0.000 1.049 47 V CA 2.198 64.602 62.300 0.172 0.000 1.024 47 V CB -0.673 31.194 31.823 0.072 0.000 0.648 47 V HN 0.487 nan 8.190 nan 0.000 0.447 48 E N 0.409 120.638 120.200 0.049 0.000 2.463 48 E HA -0.221 4.130 4.350 0.001 0.000 0.201 48 E C 1.589 178.161 176.600 -0.048 0.000 1.045 48 E CA 1.134 57.555 56.400 0.035 0.000 0.872 48 E CB -0.202 29.532 29.700 0.058 0.000 0.797 48 E HN 0.546 nan 8.360 nan 0.000 0.538 49 K N 0.044 120.333 120.400 -0.186 0.000 2.387 49 K HA 0.151 4.472 4.320 0.001 0.000 0.203 49 K C -0.658 175.257 176.600 -1.141 0.000 1.030 49 K CA -0.463 55.484 56.287 -0.566 0.000 1.099 49 K CB 0.368 32.744 32.500 -0.207 0.000 0.863 49 K HN 0.044 nan 8.250 nan 0.000 0.529 50 F N 1.633 121.080 119.950 -0.838 0.000 2.421 50 F HA 0.312 4.840 4.527 0.001 0.000 0.358 50 F C -0.730 174.668 175.800 -0.670 0.000 1.115 50 F CA -0.836 56.710 58.000 -0.756 0.000 1.160 50 F CB 0.287 38.886 39.000 -0.668 0.000 1.123 50 F HN -0.210 nan 8.300 nan 0.000 0.508 51 F N 5.423 124.929 119.950 -0.740 0.000 2.522 51 F HA 0.662 5.190 4.527 0.001 0.000 0.324 51 F C -0.465 175.016 175.800 -0.531 0.000 1.077 51 F CA -1.426 56.302 58.000 -0.454 0.000 0.944 51 F CB 1.510 40.353 39.000 -0.262 0.000 1.175 51 F HN 0.230 nan 8.300 nan 0.000 0.468 52 V N 2.048 121.944 119.914 -0.029 0.000 2.709 52 V HA 0.877 4.998 4.120 0.001 0.000 0.308 52 V C -0.592 175.536 176.094 0.057 0.000 1.062 52 V CA -0.773 61.556 62.300 0.050 0.000 0.901 52 V CB 1.537 33.430 31.823 0.117 0.000 1.003 52 V HN 1.051 nan 8.190 nan 0.000 0.425 53 A N 5.409 128.272 122.820 0.071 0.000 2.351 53 A HA 0.692 5.013 4.320 0.001 0.000 0.257 53 A C -0.403 177.164 177.584 -0.028 0.000 1.087 53 A CA -0.232 51.811 52.037 0.010 0.000 0.798 53 A CB 0.885 19.901 19.000 0.027 0.000 1.033 53 A HN 1.105 nan 8.150 nan 0.000 0.488 54 V N 4.230 124.092 119.914 -0.086 0.000 2.459 54 V HA 0.414 4.535 4.120 0.001 0.000 0.295 54 V C -2.112 173.836 176.094 -0.244 0.000 1.029 54 V CA -1.490 60.722 62.300 -0.146 0.000 0.874 54 V CB 1.822 33.567 31.823 -0.129 0.000 0.985 54 V HN 0.869 nan 8.190 nan 0.000 0.438 55 P HA 0.131 nan 4.420 nan 0.000 0.282 55 P C 0.818 177.739 177.300 -0.630 0.000 1.262 55 P CA -0.071 62.452 63.100 -0.961 0.000 0.773 55 P CB 1.444 32.067 31.700 -1.796 0.000 0.879 56 S N 3.124 118.691 115.700 -0.222 0.000 2.400 56 S HA -0.190 4.281 4.470 0.001 0.000 0.232 56 S C 1.455 176.146 174.600 0.152 0.000 1.025 56 S CA 0.910 59.158 58.200 0.080 0.000 0.993 56 S CB -1.416 61.966 63.200 0.303 0.000 0.808 56 S HN 0.708 nan 8.310 nan 0.000 0.478 57 W N 1.444 122.879 121.300 0.226 0.000 3.180 57 W HA 0.605 5.265 4.660 0.001 0.000 0.254 57 W C 1.649 178.250 176.519 0.137 0.000 1.318 57 W CA -0.328 57.125 57.345 0.180 0.000 1.608 57 W CB -0.595 29.064 29.460 0.333 0.000 1.124 57 W HN 0.190 nan 8.180 nan 0.000 0.694 58 G N 0.675 109.324 108.800 -0.251 0.000 2.838 58 G HA2 -0.097 3.864 3.960 0.001 0.000 0.210 58 G HA3 -0.097 3.864 3.960 0.001 0.000 0.210 58 G C 1.105 176.018 174.900 0.022 0.000 1.153 58 G CA 0.621 45.688 45.100 -0.054 0.000 0.778 58 G HN 0.253 nan 8.290 nan 0.000 0.539 59 V N 0.886 120.780 119.914 -0.034 0.000 3.461 59 V HA 0.355 4.476 4.120 0.001 0.000 0.267 59 V C 1.431 177.533 176.094 0.014 0.000 1.186 59 V CA 0.907 63.180 62.300 -0.046 0.000 1.154 59 V CB -0.390 31.416 31.823 -0.028 0.000 0.802 59 V HN 0.250 nan 8.190 nan 0.000 0.474 60 G N -0.517 108.319 108.800 0.060 0.000 2.434 60 G HA2 0.440 4.401 3.960 0.001 0.000 0.330 60 G HA3 0.440 4.401 3.960 0.001 0.000 0.330 60 G C -0.365 174.595 174.900 0.100 0.000 1.155 60 G CA -0.273 44.865 45.100 0.065 0.000 0.917 60 G HN 0.205 nan 8.290 nan 0.000 0.493 61 T N 0.709 115.317 114.554 0.092 0.000 2.870 61 T HA 0.453 4.804 4.350 0.001 0.000 0.300 61 T C 0.969 175.733 174.700 0.106 0.000 0.989 61 T CA 0.464 62.636 62.100 0.121 0.000 1.139 61 T CB 1.057 69.993 68.868 0.113 0.000 0.920 61 T HN 0.707 nan 8.240 nan 0.000 0.537 62 G N 1.244 110.122 108.800 0.129 0.000 2.522 62 G HA2 0.710 4.671 3.960 0.001 0.000 0.304 62 G HA3 0.710 4.671 3.960 0.001 0.000 0.304 62 G C -0.056 174.891 174.900 0.079 0.000 1.210 62 G CA -0.443 44.712 45.100 0.092 0.000 0.960 62 G HN 0.965 nan 8.290 nan 0.000 0.497 63 G N -1.806 107.027 108.800 0.055 0.000 2.687 63 G HA2 0.712 4.673 3.960 0.001 0.000 0.291 63 G HA3 0.712 4.673 3.960 0.001 0.000 0.291 63 G C -0.386 174.546 174.900 0.053 0.000 1.420 63 G CA 0.333 45.459 45.100 0.044 0.000 0.796 63 G HN 1.089 nan 8.290 nan 0.000 0.485 64 T N -2.946 111.646 114.554 0.063 0.000 2.870 64 T HA 0.429 4.780 4.350 0.001 0.000 0.277 64 T C 1.460 176.157 174.700 -0.005 0.000 1.000 64 T CA -0.214 61.931 62.100 0.076 0.000 0.982 64 T CB 1.624 70.609 68.868 0.195 0.000 1.249 64 T HN 0.760 nan 8.240 nan 0.000 0.589 65 R N -0.582 119.851 120.500 -0.112 0.000 2.285 65 R HA 0.090 4.431 4.340 0.001 0.000 0.213 65 R C 1.258 177.359 176.300 -0.331 0.000 1.068 65 R CA 1.063 57.013 56.100 -0.250 0.000 1.004 65 R CB -0.729 29.355 30.300 -0.360 0.000 0.873 65 R HN 0.504 nan 8.270 nan 0.000 0.467 66 F N 1.057 121.011 119.950 0.007 0.000 2.335 66 F HA 0.340 4.867 4.527 0.001 0.000 0.296 66 F C 1.177 176.943 175.800 -0.057 0.000 1.091 66 F CA 0.646 58.645 58.000 -0.002 0.000 1.399 66 F CB 0.247 39.265 39.000 0.030 0.000 1.067 66 F HN 0.228 nan 8.300 nan 0.000 0.520 67 A N -0.485 122.355 122.820 0.034 0.000 2.522 67 A HA 0.623 4.944 4.320 0.001 0.000 0.291 67 A C -1.232 176.133 177.584 -0.364 0.000 1.039 67 A CA -0.898 50.995 52.037 -0.241 0.000 0.643 67 A CB 0.911 19.645 19.000 -0.444 0.000 1.310 67 A HN 0.058 nan 8.150 nan 0.000 0.436 68 R N 0.219 120.396 120.500 -0.540 0.000 2.538 68 R HA 0.678 5.019 4.340 0.001 0.000 0.292 68 R C -2.155 173.839 176.300 -0.511 0.000 1.008 68 R CA -0.476 55.404 56.100 -0.366 0.000 0.896 68 R CB 0.845 31.052 30.300 -0.155 0.000 1.187 68 R HN 0.577 nan 8.270 nan 0.000 0.440 69 F N 5.822 125.806 119.950 0.056 0.000 2.366 69 F HA 0.355 4.882 4.527 0.001 0.000 0.357 69 F C -1.641 174.189 175.800 0.049 0.000 1.107 69 F CA -2.138 55.892 58.000 0.050 0.000 1.208 69 F CB 1.029 40.060 39.000 0.051 0.000 1.464 69 F HN 0.298 nan 8.300 nan 0.000 0.501 70 P HA 0.215 nan 4.420 nan 0.000 0.269 70 P C 0.324 177.695 177.300 0.118 0.000 1.215 70 P CA 0.045 63.212 63.100 0.112 0.000 0.780 70 P CB 1.512 33.251 31.700 0.065 0.000 0.898 71 G N 1.041 109.900 108.800 0.100 0.000 2.606 71 G HA2 0.526 4.487 3.960 0.001 0.000 0.262 71 G HA3 0.526 4.487 3.960 0.001 0.000 0.262 71 G C -0.263 174.678 174.900 0.069 0.000 1.394 71 G CA -0.366 44.787 45.100 0.088 0.000 1.044 71 G HN 0.667 nan 8.290 nan 0.000 0.553 72 T N -3.576 111.015 114.554 0.061 0.000 2.899 72 T HA 0.449 4.800 4.350 0.001 0.000 0.284 72 T C 1.270 175.995 174.700 0.042 0.000 1.004 72 T CA 0.753 62.880 62.100 0.044 0.000 1.043 72 T CB 1.042 69.929 68.868 0.032 0.000 1.013 72 T HN 2.159 nan 8.240 nan 0.000 0.518 73 G N 1.171 109.985 108.800 0.024 0.000 2.283 73 G HA2 -0.211 3.750 3.960 0.001 0.000 0.280 73 G HA3 -0.211 3.750 3.960 0.001 0.000 0.280 73 G C 0.008 174.931 174.900 0.038 0.000 1.029 73 G CA 0.018 45.127 45.100 0.015 0.000 0.840 73 G HN 0.907 nan 8.290 nan 0.000 0.505 74 E N 0.909 121.136 120.200 0.043 0.000 2.452 74 E HA 0.117 4.468 4.350 0.001 0.000 0.261 74 E C -1.642 174.988 176.600 0.049 0.000 0.987 74 E CA -1.027 55.403 56.400 0.049 0.000 0.926 74 E CB 0.554 30.278 29.700 0.041 0.000 0.934 74 E HN 0.359 nan 8.360 nan 0.000 0.452 75 P HA 0.035 nan 4.420 nan 0.000 0.265 75 P C 0.071 177.406 177.300 0.059 0.000 1.193 75 P CA 0.143 63.285 63.100 0.069 0.000 0.765 75 P CB 0.639 32.386 31.700 0.078 0.000 0.823 76 R N 1.914 122.456 120.500 0.071 0.000 2.119 76 R HA 0.210 4.551 4.340 0.001 0.000 0.222 76 R C 1.461 177.810 176.300 0.082 0.000 1.088 76 R CA 1.363 57.505 56.100 0.069 0.000 0.984 76 R CB -0.121 30.224 30.300 0.075 0.000 0.884 76 R HN 0.694 nan 8.270 nan 0.000 0.447 77 G N -1.102 107.762 108.800 0.107 0.000 2.570 77 G HA2 0.153 4.113 3.960 0.001 0.000 0.310 77 G HA3 0.153 4.113 3.960 0.001 0.000 0.310 77 G C -0.247 174.707 174.900 0.091 0.000 1.266 77 G CA -0.629 44.537 45.100 0.110 0.000 0.825 77 G HN -0.010 nan 8.290 nan 0.000 0.483 78 I N -0.315 120.268 120.570 0.021 0.000 2.264 78 I HA 0.022 4.192 4.170 0.001 0.000 0.248 78 I C 2.245 178.273 176.117 -0.148 0.000 1.111 78 I CA 1.576 62.822 61.300 -0.091 0.000 1.382 78 I CB -0.449 37.408 38.000 -0.239 0.000 1.060 78 I HN 0.377 nan 8.210 nan 0.000 0.418 79 F N 0.599 120.617 119.950 0.113 0.000 2.234 79 F HA -0.145 4.383 4.527 0.001 0.000 0.299 79 F C 2.302 178.157 175.800 0.092 0.000 1.087 79 F CA 1.359 59.419 58.000 0.101 0.000 1.340 79 F CB -0.839 38.210 39.000 0.082 0.000 1.031 79 F HN 0.109 nan 8.300 nan 0.000 0.500 80 D N 0.215 120.755 120.400 0.233 0.000 2.123 80 D HA -0.098 4.543 4.640 0.001 0.000 0.200 80 D C 2.114 178.497 176.300 0.139 0.000 0.976 80 D CA 1.016 55.118 54.000 0.171 0.000 0.831 80 D CB -0.214 40.668 40.800 0.136 0.000 0.974 80 D HN 0.210 nan 8.370 nan 0.000 0.469 81 K N 0.249 120.715 120.400 0.111 0.000 2.057 81 K HA -0.049 4.272 4.320 0.001 0.000 0.207 81 K C 2.267 178.909 176.600 0.071 0.000 1.049 81 K CA 0.616 56.955 56.287 0.086 0.000 0.931 81 K CB -0.083 32.470 32.500 0.088 0.000 0.714 81 K HN 0.141 nan 8.250 nan 0.000 0.440 82 L N 1.012 122.281 121.223 0.076 0.000 2.046 82 L HA -0.219 4.122 4.340 0.001 0.000 0.208 82 L C 1.847 178.753 176.870 0.060 0.000 1.077 82 L CA 1.126 55.999 54.840 0.056 0.000 0.747 82 L CB -0.529 41.581 42.059 0.086 0.000 0.896 82 L HN 0.185 nan 8.230 nan 0.000 0.432 83 D N 0.156 120.624 120.400 0.113 0.000 2.123 83 D HA -0.190 4.451 4.640 0.001 0.000 0.196 83 D C 1.801 178.172 176.300 0.119 0.000 0.992 83 D CA 1.251 55.329 54.000 0.129 0.000 0.833 83 D CB -0.185 40.724 40.800 0.181 0.000 0.954 83 D HN 0.278 nan 8.370 nan 0.000 0.455 84 D N -0.588 119.887 120.400 0.126 0.000 2.144 84 D HA -0.069 4.571 4.640 0.001 0.000 0.200 84 D C 2.087 178.374 176.300 -0.021 0.000 0.978 84 D CA 0.427 54.484 54.000 0.094 0.000 0.833 84 D CB -0.419 40.452 40.800 0.119 0.000 0.961 84 D HN 0.228 nan 8.370 nan 0.000 0.470 85 C N 0.982 120.266 119.300 -0.027 0.000 2.432 85 C HA 0.047 4.508 4.460 0.001 0.000 0.280 85 C C 2.811 177.748 174.990 -0.089 0.000 1.353 85 C CA 0.507 59.480 59.018 -0.074 0.000 1.766 85 C CB -0.936 26.756 27.740 -0.080 0.000 1.924 85 C HN 0.339 nan 8.230 nan 0.000 0.509 86 A N 0.379 123.158 122.820 -0.068 0.000 1.972 86 A HA -0.071 4.250 4.320 0.001 0.000 0.219 86 A C 2.237 179.769 177.584 -0.088 0.000 1.169 86 A CA 1.891 53.883 52.037 -0.075 0.000 0.635 86 A CB -0.534 18.439 19.000 -0.046 0.000 0.810 86 A HN 0.381 nan 8.150 nan 0.000 0.446 87 V N 0.247 120.083 119.914 -0.130 0.000 2.358 87 V HA -0.257 3.864 4.120 0.001 0.000 0.246 87 V C 2.398 178.411 176.094 -0.136 0.000 1.047 87 V CA 1.954 64.141 62.300 -0.188 0.000 1.035 87 V CB -0.709 30.883 31.823 -0.384 0.000 0.658 87 V HN 0.579 nan 8.190 nan 0.000 0.452 88 I N 0.077 120.563 120.570 -0.140 0.000 2.179 88 I HA -0.301 3.870 4.170 0.001 0.000 0.242 88 I C 2.676 178.743 176.117 -0.084 0.000 1.088 88 I CA 1.953 63.178 61.300 -0.126 0.000 1.357 88 I CB -0.450 37.471 38.000 -0.131 0.000 1.051 88 I HN 0.352 nan 8.210 nan 0.000 0.409 89 Q N 1.194 120.945 119.800 -0.082 0.000 2.084 89 Q HA -0.269 4.072 4.340 0.001 0.000 0.202 89 Q C 2.140 178.119 176.000 -0.035 0.000 0.978 89 Q CA 1.839 57.603 55.803 -0.066 0.000 0.844 89 Q CB -0.416 28.262 28.738 -0.099 0.000 0.898 89 Q HN 0.467 nan 8.270 nan 0.000 0.426 90 Q N -0.546 119.237 119.800 -0.028 0.000 2.061 90 Q HA -0.160 4.181 4.340 0.001 0.000 0.204 90 Q C 2.005 178.017 176.000 0.020 0.000 0.984 90 Q CA 1.860 57.675 55.803 0.018 0.000 0.846 90 Q CB -0.119 28.648 28.738 0.048 0.000 0.902 90 Q HN 0.536 nan 8.270 nan 0.000 0.421 91 L N -0.472 120.750 121.223 -0.002 0.000 2.179 91 L HA -0.068 4.273 4.340 0.001 0.000 0.208 91 L C 2.524 179.396 176.870 0.003 0.000 1.096 91 L CA 1.499 56.341 54.840 0.003 0.000 0.779 91 L CB -0.353 41.704 42.059 -0.004 0.000 0.922 91 L HN 0.395 nan 8.230 nan 0.000 0.443 92 T N -5.168 109.384 114.554 -0.003 0.000 3.023 92 T HA 0.071 4.421 4.350 0.001 0.000 0.249 92 T C 1.065 175.791 174.700 0.043 0.000 1.050 92 T CA -0.379 61.728 62.100 0.012 0.000 1.088 92 T CB 0.244 69.112 68.868 -0.000 0.000 0.946 92 T HN 0.097 nan 8.240 nan 0.000 0.480 93 R N 0.564 121.089 120.500 0.040 0.000 3.641 93 R HA -0.145 4.196 4.340 0.001 0.000 0.286 93 R C 0.719 177.120 176.300 0.167 0.000 1.153 93 R CA 0.831 56.977 56.100 0.076 0.000 0.775 93 R CB -2.519 27.837 30.300 0.092 0.000 1.215 93 R HN 0.729 nan 8.270 nan 0.000 0.474 94 A N -0.601 122.300 122.820 0.135 0.000 2.508 94 A HA 0.180 4.501 4.320 0.001 0.000 0.250 94 A C 0.861 178.543 177.584 0.162 0.000 1.208 94 A CA 0.766 52.937 52.037 0.223 0.000 0.960 94 A CB 0.546 19.628 19.000 0.137 0.000 1.099 94 A HN 0.300 nan 8.150 nan 0.000 0.542 95 T N -2.534 112.039 114.554 0.032 0.000 3.630 95 T HA 0.323 4.674 4.350 0.001 0.000 0.238 95 T C -1.758 172.854 174.700 -0.147 0.000 1.195 95 T CA -0.882 61.190 62.100 -0.046 0.000 1.433 95 T CB 0.825 69.660 68.868 -0.055 0.000 0.940 95 T HN 0.088 nan 8.240 nan 0.000 0.641 96 P HA -0.035 nan 4.420 nan 0.000 0.222 96 P C -0.134 176.992 177.300 -0.292 0.000 1.147 96 P CA 0.702 63.597 63.100 -0.342 0.000 0.790 96 P CB 0.199 31.537 31.700 -0.603 0.000 0.780 97 N N -0.290 118.265 118.700 -0.240 0.000 2.370 97 N HA 0.334 5.074 4.740 0.001 0.000 0.303 97 N C -0.744 174.664 175.510 -0.170 0.000 1.103 97 N CA -0.605 52.315 53.050 -0.216 0.000 0.848 97 N CB 2.558 40.953 38.487 -0.154 0.000 1.235 97 N HN -0.229 nan 8.380 nan 0.000 0.496 98 V N 0.334 120.131 119.914 -0.195 0.000 2.628 98 V HA 0.396 4.517 4.120 0.001 0.000 0.306 98 V C 0.170 176.294 176.094 0.050 0.000 1.045 98 V CA -0.711 61.528 62.300 -0.103 0.000 0.905 98 V CB 1.830 33.568 31.823 -0.141 0.000 0.997 98 V HN 0.620 nan 8.190 nan 0.000 0.436 99 S N 4.386 120.130 115.700 0.074 0.000 2.433 99 S HA 0.697 5.168 4.470 0.001 0.000 0.310 99 S C -0.528 174.276 174.600 0.341 0.000 1.097 99 S CA -0.530 57.785 58.200 0.193 0.000 1.103 99 S CB 0.227 63.525 63.200 0.163 0.000 0.992 99 S HN 0.531 nan 8.310 nan 0.000 0.469 100 L N 4.060 125.506 121.223 0.371 0.000 2.416 100 L HA 0.537 4.878 4.340 0.001 0.000 0.262 100 L C 0.139 177.272 176.870 0.437 0.000 1.093 100 L CA -0.882 54.206 54.840 0.414 0.000 0.801 100 L CB 0.705 42.922 42.059 0.263 0.000 1.191 100 L HN 0.595 nan 8.230 nan 0.000 0.459 101 H N 2.457 121.748 119.070 0.369 0.000 2.744 101 H HA 0.441 4.997 4.556 0.001 0.000 0.339 101 H C -1.045 174.308 175.328 0.042 0.000 1.004 101 H CA -0.579 55.541 56.048 0.120 0.000 1.257 101 H CB 1.536 31.290 29.762 -0.014 0.000 1.552 101 H HN 0.216 nan 8.280 nan 0.000 0.522 102 I N 6.836 127.490 120.570 0.140 0.000 2.437 102 I HA 0.191 4.362 4.170 0.001 0.000 0.298 102 I C -1.480 174.678 176.117 0.067 0.000 0.984 102 I CA -2.654 58.711 61.300 0.108 0.000 1.214 102 I CB 1.649 39.680 38.000 0.051 0.000 1.365 102 I HN 0.449 nan 8.210 nan 0.000 0.469 103 P HA -0.055 nan 4.420 nan 0.000 0.245 103 P C 1.228 178.634 177.300 0.176 0.000 1.206 103 P CA 0.634 63.780 63.100 0.077 0.000 0.781 103 P CB 0.192 31.927 31.700 0.057 0.000 0.994 104 W N 1.883 123.230 121.300 0.078 0.000 2.308 104 W HA -0.131 4.530 4.660 0.001 0.000 0.301 104 W C 1.083 177.653 176.519 0.086 0.000 1.220 104 W CA 1.165 58.552 57.345 0.070 0.000 1.240 104 W CB -1.714 27.788 29.460 0.070 0.000 1.142 104 W HN 0.128 nan 8.180 nan 0.000 0.521 105 D N -0.648 119.952 120.400 0.334 0.000 2.363 105 D HA 0.016 4.656 4.640 0.001 0.000 0.214 105 D C 0.478 176.834 176.300 0.093 0.000 1.093 105 D CA 0.111 54.226 54.000 0.193 0.000 0.837 105 D CB -0.173 40.754 40.800 0.212 0.000 0.948 105 D HN 0.041 nan 8.370 nan 0.000 0.507 106 K N 1.154 121.620 120.400 0.110 0.000 2.511 106 K HA 0.234 4.555 4.320 0.001 0.000 0.280 106 K C -0.398 176.236 176.600 0.057 0.000 1.008 106 K CA 0.217 56.545 56.287 0.069 0.000 1.050 106 K CB 0.287 32.834 32.500 0.080 0.000 0.889 106 K HN 0.066 nan 8.250 nan 0.000 0.484 107 A N 3.603 126.446 122.820 0.037 0.000 2.567 107 A HA 0.159 4.479 4.320 0.001 0.000 0.291 107 A C -1.648 175.973 177.584 0.062 0.000 1.048 107 A CA -0.928 51.152 52.037 0.072 0.000 0.661 107 A CB 0.678 19.711 19.000 0.054 0.000 1.288 107 A HN 0.801 nan 8.150 nan 0.000 0.424 108 D N 0.966 121.429 120.400 0.104 0.000 2.472 108 D HA 0.294 4.935 4.640 0.001 0.000 0.248 108 D C -1.472 174.859 176.300 0.052 0.000 1.174 108 D CA -0.506 53.538 54.000 0.073 0.000 0.883 108 D CB 0.886 41.739 40.800 0.088 0.000 1.149 108 D HN 0.117 nan 8.370 nan 0.000 0.488 109 P HA -0.181 nan 4.420 nan 0.000 0.216 109 P C 1.124 178.417 177.300 -0.011 0.000 1.150 109 P CA 1.080 64.153 63.100 -0.044 0.000 0.837 109 P CB 0.194 31.863 31.700 -0.051 0.000 0.786 110 K N 0.123 120.537 120.400 0.022 0.000 2.063 110 K HA -0.176 4.144 4.320 0.001 0.000 0.208 110 K C 1.879 178.526 176.600 0.078 0.000 1.048 110 K CA 1.520 57.831 56.287 0.040 0.000 0.928 110 K CB -0.655 31.866 32.500 0.036 0.000 0.713 110 K HN 0.386 nan 8.250 nan 0.000 0.442 111 E N 0.440 120.713 120.200 0.120 0.000 2.158 111 E HA -0.054 4.297 4.350 0.001 0.000 0.191 111 E C 2.242 179.037 176.600 0.325 0.000 0.982 111 E CA 0.424 56.951 56.400 0.212 0.000 0.823 111 E CB -0.054 29.811 29.700 0.274 0.000 0.766 111 E HN 0.191 nan 8.360 nan 0.000 0.468 112 L N 0.986 122.333 121.223 0.207 0.000 2.017 112 L HA -0.192 4.149 4.340 0.001 0.000 0.208 112 L C 2.575 179.588 176.870 0.239 0.000 1.073 112 L CA 1.062 55.981 54.840 0.132 0.000 0.745 112 L CB -0.360 41.590 42.059 -0.181 0.000 0.894 112 L HN 0.011 nan 8.230 nan 0.000 0.432 113 K N 0.658 121.125 120.400 0.112 0.000 2.009 113 K HA -0.177 4.144 4.320 0.001 0.000 0.210 113 K C 2.058 178.796 176.600 0.230 0.000 1.049 113 K CA 1.791 58.208 56.287 0.217 0.000 0.929 113 K CB -0.504 32.052 32.500 0.093 0.000 0.714 113 K HN 0.238 nan 8.250 nan 0.000 0.440 114 A N 0.541 123.460 122.820 0.166 0.000 1.908 114 A HA -0.188 4.133 4.320 0.001 0.000 0.218 114 A C 2.172 179.843 177.584 0.145 0.000 1.181 114 A CA 2.042 54.156 52.037 0.128 0.000 0.627 114 A CB -0.613 18.445 19.000 0.097 0.000 0.818 114 A HN 0.332 nan 8.150 nan 0.000 0.445 115 R N 0.063 120.697 120.500 0.223 0.000 2.075 115 R HA -0.018 4.322 4.340 0.001 0.000 0.232 115 R C 2.141 178.536 176.300 0.158 0.000 1.126 115 R CA 1.921 58.157 56.100 0.227 0.000 0.963 115 R CB -1.401 29.138 30.300 0.398 0.000 0.858 115 R HN 0.367 nan 8.270 nan 0.000 0.435 116 G N 0.382 109.306 108.800 0.207 0.000 2.433 116 G HA2 -0.250 3.711 3.960 0.001 0.000 0.216 116 G HA3 -0.250 3.711 3.960 0.001 0.000 0.216 116 G C 1.018 175.909 174.900 -0.015 0.000 1.186 116 G CA 0.973 46.090 45.100 0.028 0.000 0.779 116 G HN 0.350 nan 8.290 nan 0.000 0.543 117 D N 1.166 121.595 120.400 0.050 0.000 2.123 117 D HA -0.090 4.550 4.640 0.001 0.000 0.196 117 D C 2.813 179.101 176.300 -0.021 0.000 0.992 117 D CA 1.338 55.343 54.000 0.008 0.000 0.833 117 D CB -0.531 40.290 40.800 0.036 0.000 0.954 117 D HN 0.311 nan 8.370 nan 0.000 0.455 118 A N 0.362 123.182 122.820 -0.000 0.000 1.972 118 A HA -0.095 4.226 4.320 0.001 0.000 0.219 118 A C 2.257 179.799 177.584 -0.070 0.000 1.169 118 A CA 0.902 52.924 52.037 -0.026 0.000 0.635 118 A CB -0.526 18.477 19.000 0.004 0.000 0.810 118 A HN 0.237 nan 8.150 nan 0.000 0.446 119 L N -1.698 119.487 121.223 -0.063 0.000 2.585 119 L HA 0.249 4.590 4.340 0.001 0.000 0.226 119 L C 1.518 178.306 176.870 -0.135 0.000 1.113 119 L CA 0.483 55.264 54.840 -0.099 0.000 0.876 119 L CB 0.049 42.070 42.059 -0.063 0.000 1.072 119 L HN 0.546 nan 8.230 nan 0.000 0.468 120 G N 0.956 109.678 108.800 -0.129 0.000 2.160 120 G HA2 -0.251 3.710 3.960 0.001 0.000 0.244 120 G HA3 -0.251 3.710 3.960 0.001 0.000 0.244 120 G C -0.094 174.702 174.900 -0.173 0.000 1.022 120 G CA -0.092 44.923 45.100 -0.140 0.000 0.741 120 G HN 0.210 nan 8.290 nan 0.000 0.508 121 L N -0.248 120.852 121.223 -0.204 0.000 2.334 121 L HA 0.824 5.165 4.340 0.001 0.000 0.273 121 L C 0.985 177.618 176.870 -0.395 0.000 1.013 121 L CA -0.556 54.104 54.840 -0.300 0.000 0.816 121 L CB 1.954 43.813 42.059 -0.334 0.000 1.278 121 L HN 0.217 nan 8.230 nan 0.000 0.431 122 G N 0.420 108.965 108.800 -0.424 0.000 2.597 122 G HA2 0.707 4.668 3.960 0.001 0.000 0.317 122 G HA3 0.707 4.668 3.960 0.001 0.000 0.317 122 G C -1.533 173.019 174.900 -0.580 0.000 1.230 122 G CA -0.416 44.454 45.100 -0.382 0.000 0.996 122 G HN 0.255 nan 8.290 nan 0.000 0.490 123 F N -0.337 119.583 119.950 -0.049 0.000 2.444 123 F HA 0.404 4.931 4.527 0.001 0.000 0.342 123 F C 0.408 176.176 175.800 -0.054 0.000 1.121 123 F CA -0.562 57.417 58.000 -0.035 0.000 0.997 123 F CB 2.289 41.282 39.000 -0.012 0.000 1.130 123 F HN 0.494 nan 8.300 nan 0.000 0.454 124 D N 1.086 121.554 120.400 0.112 0.000 2.475 124 D HA 0.624 5.265 4.640 0.001 0.000 0.286 124 D C -0.307 176.022 176.300 0.049 0.000 1.205 124 D CA -0.266 53.764 54.000 0.049 0.000 1.092 124 D CB 0.678 41.508 40.800 0.049 0.000 1.147 124 D HN 0.626 nan 8.370 nan 0.000 0.575 125 A N 0.430 123.285 122.820 0.057 0.000 2.561 125 A HA 0.205 4.526 4.320 0.001 0.000 0.234 125 A C 0.073 177.720 177.584 0.106 0.000 1.055 125 A CA 0.136 52.204 52.037 0.051 0.000 0.756 125 A CB -0.094 19.025 19.000 0.198 0.000 0.986 125 A HN 0.433 nan 8.150 nan 0.000 0.505 126 M N 1.947 121.587 119.600 0.068 0.000 2.247 126 M HA 0.232 4.713 4.480 0.001 0.000 0.326 126 M C 0.031 176.370 176.300 0.065 0.000 1.134 126 M CA 0.129 55.486 55.300 0.095 0.000 1.136 126 M CB 0.283 32.954 32.600 0.118 0.000 1.454 126 M HN 0.681 nan 8.290 nan 0.000 0.467 127 N N 0.741 119.411 118.700 -0.050 0.000 2.410 127 N HA 0.288 5.029 4.740 0.001 0.000 0.287 127 N C -1.014 174.281 175.510 -0.358 0.000 1.044 127 N CA -0.219 52.670 53.050 -0.268 0.000 0.881 127 N CB 1.831 39.940 38.487 -0.632 0.000 1.405 127 N HN 0.618 nan 8.380 nan 0.000 0.490 128 S N 1.483 117.101 115.700 -0.138 0.000 2.632 128 S HA 0.350 4.820 4.470 0.001 0.000 0.267 128 S C 0.060 174.742 174.600 0.136 0.000 1.276 128 S CA -0.684 57.539 58.200 0.039 0.000 0.998 128 S CB 1.566 64.801 63.200 0.059 0.000 0.953 128 S HN 0.557 nan 8.310 nan 0.000 0.547 129 N N 0.777 119.569 118.700 0.153 0.000 2.648 129 N HA 0.216 4.957 4.740 0.001 0.000 0.261 129 N C -0.604 174.501 175.510 -0.675 0.000 1.138 129 N CA -0.374 52.419 53.050 -0.428 0.000 0.804 129 N CB 1.120 39.135 38.487 -0.787 0.000 1.237 129 N HN 0.837 nan 8.380 nan 0.000 0.532 130 T N -0.191 114.032 114.554 -0.550 0.000 3.293 130 T HA 0.224 4.575 4.350 0.001 0.000 0.276 130 T C 0.478 174.850 174.700 -0.545 0.000 1.003 130 T CA -0.499 61.122 62.100 -0.799 0.000 0.916 130 T CB -1.199 67.094 68.868 -0.960 0.000 1.134 130 T HN 0.268 nan 8.240 nan 0.000 0.530 131 F N 0.304 120.104 119.950 -0.250 0.000 2.683 131 F HA 0.653 5.180 4.527 0.001 0.000 0.306 131 F C 0.065 175.859 175.800 -0.011 0.000 1.102 131 F CA -1.137 56.763 58.000 -0.167 0.000 1.244 131 F CB -0.170 38.692 39.000 -0.230 0.000 1.029 131 F HN 0.287 nan 8.300 nan 0.000 0.545 132 S N -1.208 114.414 115.700 -0.131 0.000 2.547 132 S HA 0.428 4.899 4.470 0.001 0.000 0.270 132 S C -1.703 172.898 174.600 0.002 0.000 1.150 132 S CA -0.983 57.211 58.200 -0.010 0.000 0.850 132 S CB 1.957 65.139 63.200 -0.029 0.000 1.118 132 S HN 0.039 nan 8.310 nan 0.000 0.461 133 D N 1.215 121.619 120.400 0.007 0.000 2.210 133 D HA 0.687 5.328 4.640 0.001 0.000 0.249 133 D C 0.079 176.346 176.300 -0.056 0.000 1.062 133 D CA 0.007 53.971 54.000 -0.060 0.000 0.891 133 D CB 1.748 42.490 40.800 -0.096 0.000 1.186 133 D HN 0.855 nan 8.370 nan 0.000 0.432 134 A N 2.448 125.217 122.820 -0.084 0.000 2.322 134 A HA 0.691 5.011 4.320 0.001 0.000 0.327 134 A C -2.462 175.089 177.584 -0.055 0.000 1.134 134 A CA -1.462 50.545 52.037 -0.050 0.000 0.831 134 A CB 0.555 19.520 19.000 -0.057 0.000 1.288 134 A HN 0.306 nan 8.150 nan 0.000 0.472 135 P HA 0.311 nan 4.420 nan 0.000 0.266 135 P C 1.033 178.306 177.300 -0.045 0.000 1.195 135 P CA 1.808 64.890 63.100 -0.031 0.000 0.768 135 P CB 0.646 32.341 31.700 -0.009 0.000 0.838 136 G N 1.221 109.987 108.800 -0.056 0.000 2.284 136 G HA2 -0.341 3.619 3.960 0.001 0.000 0.261 136 G HA3 -0.341 3.619 3.960 0.001 0.000 0.261 136 G C 0.430 175.271 174.900 -0.098 0.000 0.997 136 G CA 0.107 45.168 45.100 -0.065 0.000 0.621 136 G HN 0.664 nan 8.290 nan 0.000 0.534 137 Q N 0.580 120.309 119.800 -0.118 0.000 2.308 137 Q HA 0.390 4.731 4.340 0.001 0.000 0.313 137 Q C 1.755 177.623 176.000 -0.220 0.000 1.075 137 Q CA 0.600 56.299 55.803 -0.173 0.000 0.995 137 Q CB 0.510 29.111 28.738 -0.228 0.000 1.107 137 Q HN 0.803 nan 8.270 nan 0.000 0.380 138 A N 5.241 127.901 122.820 -0.268 0.000 2.066 138 A HA -0.051 4.270 4.320 0.001 0.000 0.218 138 A C -0.003 177.162 177.584 -0.698 0.000 1.157 138 A CA 0.887 52.656 52.037 -0.447 0.000 0.670 138 A CB 0.158 18.862 19.000 -0.493 0.000 0.804 138 A HN 0.767 nan 8.150 nan 0.000 0.453 139 H N -0.899 118.032 119.070 -0.230 0.000 2.667 139 H HA 0.374 4.931 4.556 0.001 0.000 0.353 139 H C -0.840 174.233 175.328 -0.425 0.000 1.072 139 H CA -0.608 55.277 56.048 -0.272 0.000 1.214 139 H CB 1.573 31.174 29.762 -0.268 0.000 1.600 139 H HN 0.165 nan 8.280 nan 0.000 0.527 140 S N 1.572 117.166 115.700 -0.177 0.000 2.580 140 S HA 0.104 4.575 4.470 0.001 0.000 0.274 140 S C 0.092 174.598 174.600 -0.157 0.000 1.329 140 S CA -0.369 57.700 58.200 -0.218 0.000 1.036 140 S CB 0.261 63.420 63.200 -0.068 0.000 0.919 140 S HN 0.444 nan 8.310 nan 0.000 0.515 141 Y N 2.780 123.085 120.300 0.009 0.000 2.495 141 Y HA 0.290 4.841 4.550 0.001 0.000 0.293 141 Y C 1.811 177.734 175.900 0.038 0.000 1.186 141 Y CA -0.445 57.680 58.100 0.042 0.000 1.266 141 Y CB -0.475 37.971 38.460 -0.023 0.000 1.101 141 Y HN 0.720 nan 8.280 nan 0.000 0.517 142 K N 0.001 120.448 120.400 0.077 0.000 2.044 142 K HA -0.221 4.100 4.320 0.001 0.000 0.210 142 K C 0.292 176.747 176.600 -0.242 0.000 1.049 142 K CA 1.890 58.077 56.287 -0.166 0.000 0.927 142 K CB -0.183 32.070 32.500 -0.412 0.000 0.713 142 K HN 0.329 nan 8.250 nan 0.000 0.443 143 Y N -0.136 120.274 120.300 0.184 0.000 2.571 143 Y HA 0.326 4.877 4.550 0.001 0.000 0.275 143 Y C 0.592 176.493 175.900 0.002 0.000 1.179 143 Y CA 0.196 58.319 58.100 0.038 0.000 1.242 143 Y CB 0.996 39.393 38.460 -0.106 0.000 1.126 143 Y HN 0.308 nan 8.280 nan 0.000 0.524 144 G N -0.718 108.253 108.800 0.285 0.000 2.355 144 G HA2 0.173 4.134 3.960 0.001 0.000 0.619 144 G HA3 0.173 4.134 3.960 0.001 0.000 0.619 144 G C -0.001 175.123 174.900 0.374 0.000 1.337 144 G CA -0.266 44.977 45.100 0.238 0.000 0.993 144 G HN 0.244 nan 8.290 nan 0.000 0.599 145 S N -0.993 114.802 115.700 0.158 0.000 3.517 145 S HA 0.341 4.812 4.470 0.001 0.000 0.173 145 S C 2.054 176.692 174.600 0.062 0.000 0.785 145 S CA 0.563 58.774 58.200 0.018 0.000 0.932 145 S CB -0.267 62.607 63.200 -0.543 0.000 1.213 145 S HN 0.849 nan 8.310 nan 0.000 0.772 146 L N 2.795 124.012 121.223 -0.009 0.000 2.362 146 L HA 0.107 4.448 4.340 0.001 0.000 0.219 146 L C 1.961 178.884 176.870 0.089 0.000 1.134 146 L CA 1.315 56.159 54.840 0.006 0.000 0.807 146 L CB -0.473 41.543 42.059 -0.072 0.000 0.927 146 L HN 0.681 nan 8.230 nan 0.000 0.447 147 S N -3.502 112.296 115.700 0.163 0.000 2.629 147 S HA 0.064 4.535 4.470 0.001 0.000 0.236 147 S C 0.653 175.350 174.600 0.160 0.000 1.010 147 S CA -0.600 57.709 58.200 0.182 0.000 0.981 147 S CB -0.256 63.078 63.200 0.225 0.000 0.919 147 S HN 0.290 nan 8.310 nan 0.000 0.514 148 H N 2.960 122.082 119.070 0.088 0.000 2.948 148 H HA 0.051 4.608 4.556 0.001 0.000 0.351 148 H C 1.661 177.023 175.328 0.056 0.000 1.079 148 H CA 1.732 57.837 56.048 0.094 0.000 1.407 148 H CB 1.450 31.281 29.762 0.114 0.000 1.373 148 H HN 0.447 nan 8.280 nan 0.000 0.605 149 T N 1.006 115.592 114.554 0.053 0.000 2.962 149 T HA -0.160 4.191 4.350 0.001 0.000 0.270 149 T C 0.899 175.708 174.700 0.183 0.000 1.088 149 T CA 0.663 62.814 62.100 0.086 0.000 1.127 149 T CB -0.084 68.770 68.868 -0.024 0.000 0.883 149 T HN 0.426 nan 8.240 nan 0.000 0.493 150 N N 1.049 120.006 118.700 0.427 0.000 2.406 150 N HA 0.554 5.295 4.740 0.001 0.000 0.251 150 N C 1.137 176.635 175.510 -0.020 0.000 1.069 150 N CA 0.321 53.444 53.050 0.122 0.000 0.947 150 N CB 0.989 39.459 38.487 -0.028 0.000 1.111 150 N HN 0.237 nan 8.380 nan 0.000 0.497 151 A N 4.047 126.848 122.820 -0.033 0.000 1.892 151 A HA -0.212 4.109 4.320 0.001 0.000 0.218 151 A C 2.133 179.651 177.584 -0.110 0.000 1.188 151 A CA 2.137 54.144 52.037 -0.050 0.000 0.631 151 A CB -1.234 17.745 19.000 -0.036 0.000 0.822 151 A HN 0.762 nan 8.150 nan 0.000 0.447 152 A N -1.409 121.295 122.820 -0.194 0.000 1.940 152 A HA -0.101 4.220 4.320 0.001 0.000 0.219 152 A C 2.285 179.631 177.584 -0.397 0.000 1.176 152 A CA 2.330 54.204 52.037 -0.273 0.000 0.631 152 A CB -1.242 17.552 19.000 -0.343 0.000 0.814 152 A HN 0.455 nan 8.150 nan 0.000 0.446 153 T N -0.442 113.783 114.554 -0.548 0.000 2.821 153 T HA -0.100 4.250 4.350 0.001 0.000 0.267 153 T C 2.000 176.662 174.700 -0.064 0.000 1.046 153 T CA 1.380 63.244 62.100 -0.393 0.000 1.139 153 T CB -0.202 68.303 68.868 -0.604 0.000 0.871 153 T HN 0.521 nan 8.240 nan 0.000 0.454 154 R N 0.885 121.355 120.500 -0.051 0.000 2.115 154 R HA 0.153 4.494 4.340 0.001 0.000 0.226 154 R C 2.756 179.059 176.300 0.004 0.000 1.100 154 R CA 1.035 57.142 56.100 0.012 0.000 0.980 154 R CB -0.332 29.974 30.300 0.010 0.000 0.875 154 R HN 0.330 nan 8.270 nan 0.000 0.445 155 A N 1.154 123.964 122.820 -0.016 0.000 1.930 155 A HA -0.204 4.117 4.320 0.001 0.000 0.217 155 A C 2.092 179.697 177.584 0.036 0.000 1.175 155 A CA 1.093 53.129 52.037 -0.002 0.000 0.627 155 A CB -0.377 18.616 19.000 -0.012 0.000 0.815 155 A HN 0.329 nan 8.150 nan 0.000 0.443 156 Q N -0.548 119.294 119.800 0.070 0.000 2.167 156 Q HA -0.077 4.264 4.340 0.001 0.000 0.202 156 Q C 2.077 178.185 176.000 0.180 0.000 0.970 156 Q CA 1.325 57.206 55.803 0.129 0.000 0.855 156 Q CB -0.271 28.566 28.738 0.165 0.000 0.911 156 Q HN 0.601 nan 8.270 nan 0.000 0.438 157 A N -0.180 122.743 122.820 0.171 0.000 1.929 157 A HA -0.061 4.260 4.320 0.001 0.000 0.216 157 A C 2.166 179.784 177.584 0.058 0.000 1.176 157 A CA 1.060 53.151 52.037 0.091 0.000 0.628 157 A CB -0.540 18.431 19.000 -0.049 0.000 0.816 157 A HN 0.272 nan 8.150 nan 0.000 0.444 158 V N 0.145 120.072 119.914 0.022 0.000 2.255 158 V HA -0.262 3.859 4.120 0.001 0.000 0.247 158 V C 2.637 178.729 176.094 -0.004 0.000 1.051 158 V CA 2.502 64.794 62.300 -0.012 0.000 1.018 158 V CB -0.708 31.099 31.823 -0.026 0.000 0.641 158 V HN 0.662 nan 8.190 nan 0.000 0.445 159 E N -0.254 119.958 120.200 0.020 0.000 2.097 159 E HA -0.273 4.078 4.350 0.001 0.000 0.196 159 E C 2.218 178.830 176.600 0.022 0.000 1.000 159 E CA 1.830 58.238 56.400 0.013 0.000 0.804 159 E CB -0.508 29.211 29.700 0.031 0.000 0.740 159 E HN 0.760 nan 8.360 nan 0.000 0.454 160 H N -0.154 118.907 119.070 -0.016 0.000 2.387 160 H HA -0.056 4.501 4.556 0.001 0.000 0.299 160 H C 1.600 176.900 175.328 -0.047 0.000 1.090 160 H CA 1.524 57.557 56.048 -0.024 0.000 1.332 160 H CB 0.123 29.880 29.762 -0.009 0.000 1.386 160 H HN 0.185 nan 8.280 nan 0.000 0.516 161 N N 0.686 119.289 118.700 -0.161 0.000 2.188 161 N HA -0.097 4.644 4.740 0.001 0.000 0.184 161 N C 2.295 177.687 175.510 -0.195 0.000 1.018 161 N CA 0.701 53.629 53.050 -0.204 0.000 0.858 161 N CB 0.045 38.481 38.487 -0.085 0.000 0.989 161 N HN 0.393 nan 8.380 nan 0.000 0.426 162 L N 1.138 122.270 121.223 -0.152 0.000 2.093 162 L HA -0.104 4.237 4.340 0.001 0.000 0.208 162 L C 2.435 179.200 176.870 -0.175 0.000 1.085 162 L CA 0.970 55.714 54.840 -0.159 0.000 0.755 162 L CB -0.344 41.642 42.059 -0.121 0.000 0.904 162 L HN 0.220 nan 8.230 nan 0.000 0.435 163 E N -0.221 119.878 120.200 -0.168 0.000 2.106 163 E HA -0.221 4.130 4.350 0.001 0.000 0.192 163 E C 2.365 178.861 176.600 -0.173 0.000 0.984 163 E CA 1.391 57.701 56.400 -0.150 0.000 0.806 163 E CB 0.048 29.678 29.700 -0.116 0.000 0.750 163 E HN 0.513 nan 8.360 nan 0.000 0.458 164 C N 0.490 119.643 119.300 -0.245 0.000 2.413 164 C HA -0.135 4.326 4.460 0.001 0.000 0.276 164 C C 2.535 177.477 174.990 -0.079 0.000 1.248 164 C CA 0.489 59.399 59.018 -0.181 0.000 1.742 164 C CB -0.864 26.739 27.740 -0.228 0.000 2.017 164 C HN 0.495 nan 8.230 nan 0.000 0.481 165 I N 0.608 121.089 120.570 -0.150 0.000 2.179 165 I HA -0.179 3.992 4.170 0.001 0.000 0.242 165 I C 2.608 178.549 176.117 -0.293 0.000 1.088 165 I CA 1.382 62.501 61.300 -0.302 0.000 1.357 165 I CB -0.624 37.062 38.000 -0.523 0.000 1.051 165 I HN 0.337 nan 8.210 nan 0.000 0.409 166 E N 0.961 121.025 120.200 -0.228 0.000 2.070 166 E HA -0.221 4.130 4.350 0.001 0.000 0.197 166 E C 2.248 178.795 176.600 -0.087 0.000 1.004 166 E CA 1.455 57.755 56.400 -0.166 0.000 0.805 166 E CB -0.395 29.225 29.700 -0.132 0.000 0.744 166 E HN 0.540 nan 8.360 nan 0.000 0.451 167 I N 0.680 121.211 120.570 -0.065 0.000 2.163 167 I HA -0.216 3.954 4.170 0.001 0.000 0.243 167 I C 2.512 178.627 176.117 -0.004 0.000 1.085 167 I CA 1.447 62.722 61.300 -0.043 0.000 1.347 167 I CB -0.635 37.337 38.000 -0.047 0.000 1.044 167 I HN 0.132 nan 8.210 nan 0.000 0.408 168 G N 0.708 109.568 108.800 0.101 0.000 2.422 168 G HA2 -0.215 3.746 3.960 0.001 0.000 0.218 168 G HA3 -0.215 3.746 3.960 0.001 0.000 0.218 168 G C 1.716 176.806 174.900 0.316 0.000 1.146 168 G CA 0.441 45.692 45.100 0.252 0.000 0.769 168 G HN 0.317 nan 8.290 nan 0.000 0.547 169 K N 0.525 121.083 120.400 0.264 0.000 2.147 169 K HA 0.018 4.338 4.320 0.001 0.000 0.205 169 K C 2.735 179.391 176.600 0.093 0.000 1.049 169 K CA 0.975 57.378 56.287 0.194 0.000 0.936 169 K CB -0.122 32.356 32.500 -0.037 0.000 0.722 169 K HN 0.306 nan 8.250 nan 0.000 0.446 170 A N 1.338 124.176 122.820 0.030 0.000 2.123 170 A HA -0.001 4.320 4.320 0.001 0.000 0.214 170 A C 1.858 179.428 177.584 -0.023 0.000 1.152 170 A CA 0.588 52.623 52.037 -0.004 0.000 0.728 170 A CB -0.360 18.622 19.000 -0.029 0.000 0.814 170 A HN 0.439 nan 8.150 nan 0.000 0.464 171 I N -6.500 114.040 120.570 -0.051 0.000 4.082 171 I HA 0.540 4.711 4.170 0.001 0.000 0.337 171 I C 1.056 177.198 176.117 0.043 0.000 1.352 171 I CA 0.593 61.816 61.300 -0.127 0.000 1.097 171 I CB 0.634 38.303 38.000 -0.552 0.000 1.048 171 I HN 0.259 nan 8.210 nan 0.000 0.393 172 G N 1.437 110.285 108.800 0.081 0.000 2.184 172 G HA2 -0.251 3.710 3.960 0.001 0.000 0.206 172 G HA3 -0.251 3.710 3.960 0.001 0.000 0.206 172 G C 0.317 175.247 174.900 0.049 0.000 0.995 172 G CA 0.156 45.317 45.100 0.101 0.000 0.651 172 G HN 0.504 nan 8.290 nan 0.000 0.511 173 S N 0.024 115.745 115.700 0.034 0.000 2.572 173 S HA 0.561 5.032 4.470 0.001 0.000 0.279 173 S C 1.034 175.274 174.600 -0.601 0.000 1.341 173 S CA 0.301 58.402 58.200 -0.165 0.000 1.043 173 S CB 0.760 63.905 63.200 -0.092 0.000 0.887 173 S HN 0.193 nan 8.310 nan 0.000 0.516 174 K N 1.712 121.558 120.400 -0.924 0.000 2.469 174 K HA 0.456 4.777 4.320 0.001 0.000 0.204 174 K C -0.339 175.266 176.600 -1.657 0.000 1.047 174 K CA 0.035 55.446 56.287 -1.461 0.000 1.072 174 K CB 0.757 32.874 32.500 -0.639 0.000 0.863 174 K HN 0.605 nan 8.250 nan 0.000 0.530 175 A N 0.733 122.651 122.820 -1.503 0.000 2.608 175 A HA 0.659 4.980 4.320 0.001 0.000 0.292 175 A C -2.072 175.318 177.584 -0.323 0.000 1.066 175 A CA -0.749 50.825 52.037 -0.771 0.000 0.676 175 A CB 1.290 19.957 19.000 -0.555 0.000 1.277 175 A HN 0.087 nan 8.150 nan 0.000 0.413 176 L N 0.716 121.907 121.223 -0.054 0.000 2.376 176 L HA 0.746 5.087 4.340 0.001 0.000 0.275 176 L C -0.508 176.411 176.870 0.082 0.000 0.987 176 L CA 0.266 55.168 54.840 0.103 0.000 0.828 176 L CB 1.903 44.074 42.059 0.187 0.000 1.249 176 L HN 0.629 nan 8.230 nan 0.000 0.409 177 T N 4.538 119.193 114.554 0.167 0.000 2.799 177 T HA 0.599 4.950 4.350 0.001 0.000 0.286 177 T C -0.607 174.209 174.700 0.194 0.000 0.973 177 T CA -0.258 61.997 62.100 0.259 0.000 1.035 177 T CB 1.180 70.244 68.868 0.326 0.000 0.932 177 T HN 0.389 nan 8.240 nan 0.000 0.469 178 V N 4.485 124.531 119.914 0.221 0.000 2.349 178 V HA 0.448 4.569 4.120 0.001 0.000 0.284 178 V C -0.957 175.297 176.094 0.267 0.000 1.014 178 V CA -1.009 61.411 62.300 0.199 0.000 0.826 178 V CB 0.945 32.857 31.823 0.149 0.000 1.009 178 V HN 0.913 nan 8.190 nan 0.000 0.431 179 W N 8.330 129.701 121.300 0.117 0.000 2.600 179 W HA 0.830 5.491 4.660 0.001 0.000 0.325 179 W C -0.863 175.721 176.519 0.108 0.000 1.034 179 W CA -0.909 56.489 57.345 0.088 0.000 1.226 179 W CB 1.365 30.858 29.460 0.055 0.000 1.379 179 W HN 0.599 nan 8.180 nan 0.000 0.466 180 I N 2.889 122.842 120.570 -1.028 0.000 2.892 180 I HA 0.787 4.958 4.170 0.001 0.000 0.306 180 I C 0.814 176.194 176.117 -1.227 0.000 1.078 180 I CA -1.137 59.604 61.300 -0.931 0.000 1.032 180 I CB 2.068 39.864 38.000 -0.340 0.000 1.229 180 I HN 0.648 nan 8.210 nan 0.000 0.435 181 G N 1.338 109.652 108.800 -0.811 0.000 2.777 181 G HA2 0.004 3.965 3.960 0.001 0.000 0.211 181 G HA3 0.004 3.965 3.960 0.001 0.000 0.211 181 G C 0.078 174.812 174.900 -0.277 0.000 1.149 181 G CA -0.069 44.720 45.100 -0.519 0.000 0.785 181 G HN 0.747 nan 8.290 nan 0.000 0.536 182 D N 0.905 121.175 120.400 -0.216 0.000 2.877 182 D HA 0.387 5.027 4.640 0.001 0.000 0.220 182 D C 0.910 177.155 176.300 -0.091 0.000 1.089 182 D CA 1.785 55.729 54.000 -0.094 0.000 0.811 182 D CB 0.611 41.389 40.800 -0.037 0.000 1.162 182 D HN 0.403 nan 8.370 nan 0.000 0.513 183 G N 0.110 108.893 108.800 -0.027 0.000 2.360 183 G HA2 0.517 4.478 3.960 0.001 0.000 0.276 183 G HA3 0.517 4.478 3.960 0.001 0.000 0.276 183 G C -1.380 173.564 174.900 0.073 0.000 1.256 183 G CA -0.191 44.906 45.100 -0.005 0.000 0.890 183 G HN 0.753 nan 8.290 nan 0.000 0.486 184 S N -1.223 114.548 115.700 0.119 0.000 2.595 184 S HA 0.664 5.135 4.470 0.001 0.000 0.281 184 S C -0.326 174.405 174.600 0.219 0.000 1.117 184 S CA -0.766 57.564 58.200 0.216 0.000 0.873 184 S CB 2.273 65.668 63.200 0.324 0.000 1.108 184 S HN 0.419 nan 8.310 nan 0.000 0.477 185 N N -0.502 118.312 118.700 0.191 0.000 2.220 185 N HA 0.417 5.157 4.740 0.001 0.000 0.195 185 N C -1.447 173.848 175.510 -0.358 0.000 1.123 185 N CA 0.188 53.212 53.050 -0.044 0.000 0.874 185 N CB 0.099 38.478 38.487 -0.181 0.000 0.995 185 N HN 0.596 nan 8.380 nan 0.000 0.498 186 F N 0.085 120.118 119.950 0.138 0.000 2.569 186 F HA 0.445 4.973 4.527 0.001 0.000 0.312 186 F C -2.280 173.354 175.800 -0.277 0.000 1.109 186 F CA -2.458 55.488 58.000 -0.091 0.000 0.919 186 F CB 2.015 40.990 39.000 -0.040 0.000 1.211 186 F HN -0.292 nan 8.300 nan 0.000 0.446 187 P HA 0.213 nan 4.420 nan 0.000 0.264 187 P C 0.707 177.927 177.300 -0.133 0.000 1.193 187 P CA 1.271 64.050 63.100 -0.535 0.000 0.763 187 P CB 0.726 32.118 31.700 -0.514 0.000 0.810 188 G N 2.660 111.405 108.800 -0.091 0.000 2.317 188 G HA2 -0.353 3.608 3.960 0.001 0.000 0.227 188 G HA3 -0.353 3.608 3.960 0.001 0.000 0.227 188 G C 1.308 176.171 174.900 -0.061 0.000 1.042 188 G CA 0.439 45.481 45.100 -0.097 0.000 0.623 188 G HN 0.561 nan 8.290 nan 0.000 0.509 189 Q N 0.828 120.640 119.800 0.020 0.000 2.197 189 Q HA 0.069 4.410 4.340 0.001 0.000 0.207 189 Q C 0.773 176.784 176.000 0.018 0.000 0.984 189 Q CA 1.867 57.700 55.803 0.050 0.000 0.869 189 Q CB -0.119 28.732 28.738 0.188 0.000 0.906 189 Q HN 0.566 nan 8.270 nan 0.000 0.426 190 S N 0.501 116.206 115.700 0.009 0.000 2.570 190 S HA 0.289 4.760 4.470 0.001 0.000 0.286 190 S C -1.059 173.450 174.600 -0.153 0.000 1.099 190 S CA -0.937 57.255 58.200 -0.013 0.000 0.913 190 S CB 1.599 64.861 63.200 0.103 0.000 1.085 190 S HN 0.322 nan 8.310 nan 0.000 0.480 191 N N 1.971 120.615 118.700 -0.093 0.000 2.500 191 N HA 0.167 4.908 4.740 0.001 0.000 0.236 191 N C 0.425 175.942 175.510 0.011 0.000 1.022 191 N CA -0.479 52.495 53.050 -0.125 0.000 0.935 191 N CB -0.144 38.315 38.487 -0.048 0.000 1.147 191 N HN 0.398 nan 8.380 nan 0.000 0.512 192 F N 1.992 121.968 119.950 0.044 0.000 2.063 192 F HA -0.241 4.287 4.527 0.001 0.000 0.298 192 F C 2.386 178.223 175.800 0.061 0.000 1.105 192 F CA 1.406 59.422 58.000 0.026 0.000 1.215 192 F CB -1.339 37.659 39.000 -0.003 0.000 0.972 192 F HN 0.404 nan 8.300 nan 0.000 0.483 193 T N -0.393 114.319 114.554 0.264 0.000 2.737 193 T HA -0.144 4.207 4.350 0.001 0.000 0.265 193 T C 2.116 176.920 174.700 0.173 0.000 1.038 193 T CA 1.397 63.623 62.100 0.210 0.000 1.144 193 T CB -0.223 68.729 68.868 0.141 0.000 0.866 193 T HN 0.169 nan 8.240 nan 0.000 0.434 194 R N 0.724 121.294 120.500 0.116 0.000 2.092 194 R HA 0.114 4.455 4.340 0.001 0.000 0.231 194 R C 2.777 179.144 176.300 0.112 0.000 1.119 194 R CA 1.053 57.203 56.100 0.083 0.000 0.970 194 R CB -0.367 29.958 30.300 0.043 0.000 0.864 194 R HN 0.346 nan 8.270 nan 0.000 0.440 195 A N 0.702 123.609 122.820 0.145 0.000 1.902 195 A HA -0.195 4.126 4.320 0.001 0.000 0.217 195 A C 1.888 179.622 177.584 0.250 0.000 1.181 195 A CA 1.079 53.215 52.037 0.164 0.000 0.623 195 A CB -0.580 18.516 19.000 0.159 0.000 0.818 195 A HN 0.331 nan 8.150 nan 0.000 0.443 196 F N 1.238 121.228 119.950 0.067 0.000 2.146 196 F HA -0.088 4.439 4.527 0.001 0.000 0.298 196 F C 2.125 177.992 175.800 0.111 0.000 1.096 196 F CA 1.700 59.734 58.000 0.057 0.000 1.275 196 F CB -0.625 38.378 39.000 0.005 0.000 1.008 196 F HN 0.416 nan 8.300 nan 0.000 0.480 197 E N -0.164 120.051 120.200 0.025 0.000 2.077 197 E HA -0.218 4.133 4.350 0.001 0.000 0.193 197 E C 2.322 178.898 176.600 -0.040 0.000 0.989 197 E CA 1.201 57.539 56.400 -0.103 0.000 0.800 197 E CB -0.248 29.426 29.700 -0.043 0.000 0.746 197 E HN 0.417 nan 8.360 nan 0.000 0.452 198 R N -0.009 120.518 120.500 0.045 0.000 2.096 198 R HA -0.175 4.165 4.340 0.001 0.000 0.235 198 R C 2.346 178.682 176.300 0.061 0.000 1.127 198 R CA 1.465 57.594 56.100 0.049 0.000 0.968 198 R CB -0.437 29.911 30.300 0.080 0.000 0.861 198 R HN 0.287 nan 8.270 nan 0.000 0.440 199 Y N 1.692 121.995 120.300 0.006 0.000 2.114 199 Y HA -0.189 4.362 4.550 0.001 0.000 0.284 199 Y C 1.994 177.864 175.900 -0.050 0.000 1.143 199 Y CA 1.474 59.587 58.100 0.022 0.000 1.135 199 Y CB -0.359 38.185 38.460 0.140 0.000 0.980 199 Y HN -0.080 nan 8.280 nan 0.000 0.499 200 L N -0.642 120.577 121.223 -0.006 0.000 2.042 200 L HA -0.269 4.072 4.340 0.001 0.000 0.210 200 L C 2.860 179.616 176.870 -0.189 0.000 1.076 200 L CA 1.720 56.458 54.840 -0.171 0.000 0.749 200 L CB -0.954 40.916 42.059 -0.315 0.000 0.893 200 L HN 0.281 nan 8.230 nan 0.000 0.432 201 S N -0.368 115.246 115.700 -0.143 0.000 2.359 201 S HA -0.205 4.266 4.470 0.001 0.000 0.224 201 S C 2.108 176.634 174.600 -0.123 0.000 1.035 201 S CA 1.352 59.483 58.200 -0.115 0.000 1.018 201 S CB -0.116 63.038 63.200 -0.077 0.000 0.876 201 S HN 0.449 nan 8.310 nan 0.000 0.448 202 A N 1.405 124.137 122.820 -0.147 0.000 1.930 202 A HA 0.062 4.383 4.320 0.001 0.000 0.217 202 A C 2.244 179.715 177.584 -0.189 0.000 1.175 202 A CA 1.392 53.340 52.037 -0.150 0.000 0.627 202 A CB -0.490 18.421 19.000 -0.149 0.000 0.815 202 A HN 0.549 nan 8.150 nan 0.000 0.443 203 M N -0.506 118.919 119.600 -0.292 0.000 2.254 203 M HA -0.039 4.442 4.480 0.001 0.000 0.265 203 M C 2.461 178.702 176.300 -0.099 0.000 1.066 203 M CA 1.360 56.512 55.300 -0.246 0.000 1.123 203 M CB -1.299 31.077 32.600 -0.374 0.000 1.388 203 M HN 0.489 nan 8.290 nan 0.000 0.425 204 A N 0.032 122.783 122.820 -0.115 0.000 1.972 204 A HA -0.166 4.154 4.320 0.001 0.000 0.219 204 A C 2.097 179.678 177.584 -0.006 0.000 1.169 204 A CA 1.552 53.542 52.037 -0.078 0.000 0.635 204 A CB -0.586 18.344 19.000 -0.117 0.000 0.810 204 A HN 0.537 nan 8.150 nan 0.000 0.446 205 E N -0.392 119.785 120.200 -0.037 0.000 2.072 205 E HA -0.109 4.241 4.350 0.001 0.000 0.191 205 E C 1.885 178.474 176.600 -0.018 0.000 0.985 205 E CA 1.066 57.450 56.400 -0.027 0.000 0.801 205 E CB -0.229 29.443 29.700 -0.047 0.000 0.750 205 E HN 0.703 nan 8.360 nan 0.000 0.452 206 I N 0.340 120.893 120.570 -0.028 0.000 2.226 206 I HA -0.291 3.880 4.170 0.001 0.000 0.245 206 I C 2.357 178.467 176.117 -0.011 0.000 1.100 206 I CA 1.067 62.343 61.300 -0.040 0.000 1.374 206 I CB -0.309 37.661 38.000 -0.050 0.000 1.057 206 I HN 0.163 nan 8.210 nan 0.000 0.413 207 Y N 2.127 122.376 120.300 -0.085 0.000 2.207 207 Y HA -0.255 4.296 4.550 0.001 0.000 0.287 207 Y C 2.405 178.262 175.900 -0.071 0.000 1.156 207 Y CA 1.648 59.708 58.100 -0.067 0.000 1.182 207 Y CB -0.160 38.266 38.460 -0.056 0.000 0.979 207 Y HN 0.015 nan 8.280 nan 0.000 0.521 208 K N -0.951 119.521 120.400 0.120 0.000 2.280 208 K HA -0.080 4.241 4.320 0.001 0.000 0.202 208 K C 1.868 178.424 176.600 -0.073 0.000 1.047 208 K CA 0.964 57.275 56.287 0.040 0.000 0.942 208 K CB -0.390 32.123 32.500 0.022 0.000 0.739 208 K HN 0.411 nan 8.250 nan 0.000 0.457 209 G N 0.549 109.279 108.800 -0.118 0.000 3.233 209 G HA2 0.064 4.025 3.960 0.001 0.000 0.227 209 G HA3 0.064 4.025 3.960 0.001 0.000 0.227 209 G C -0.076 174.652 174.900 -0.288 0.000 1.175 209 G CA -0.274 44.716 45.100 -0.185 0.000 0.781 209 G HN -0.038 nan 8.290 nan 0.000 0.542 210 L N 1.406 122.448 121.223 -0.302 0.000 2.319 210 L HA 0.416 4.757 4.340 0.001 0.000 0.280 210 L C -1.931 174.748 176.870 -0.317 0.000 1.099 210 L CA -2.141 52.482 54.840 -0.361 0.000 0.828 210 L CB 1.473 43.288 42.059 -0.407 0.000 1.150 210 L HN -0.104 nan 8.230 nan 0.000 0.442 211 P HA 0.087 nan 4.420 nan 0.000 0.272 211 P C 0.196 177.454 177.300 -0.070 0.000 1.240 211 P CA -0.305 62.651 63.100 -0.239 0.000 0.791 211 P CB 0.606 32.113 31.700 -0.321 0.000 0.978 212 D N 0.551 120.933 120.400 -0.030 0.000 2.221 212 D HA -0.156 4.485 4.640 0.001 0.000 0.204 212 D C 0.715 177.041 176.300 0.043 0.000 0.982 212 D CA 1.479 55.479 54.000 -0.000 0.000 0.857 212 D CB -0.258 40.544 40.800 0.004 0.000 0.934 212 D HN 0.547 nan 8.370 nan 0.000 0.475 213 D N -1.481 118.982 120.400 0.106 0.000 2.463 213 D HA -0.014 4.626 4.640 0.001 0.000 0.224 213 D C -0.027 176.353 176.300 0.134 0.000 1.174 213 D CA -0.488 53.572 54.000 0.100 0.000 0.829 213 D CB -0.611 40.234 40.800 0.075 0.000 0.993 213 D HN 0.050 nan 8.370 nan 0.000 0.497 214 W N 1.056 122.279 121.300 -0.128 0.000 2.497 214 W HA 0.539 5.200 4.660 0.001 0.000 0.359 214 W C 0.403 176.788 176.519 -0.224 0.000 1.131 214 W CA -0.664 56.580 57.345 -0.169 0.000 1.280 214 W CB 1.334 30.684 29.460 -0.183 0.000 1.319 214 W HN -0.395 nan 8.180 nan 0.000 0.626 215 K N 1.406 121.731 120.400 -0.125 0.000 2.435 215 K HA 0.589 4.910 4.320 0.001 0.000 0.251 215 K C -1.850 174.490 176.600 -0.433 0.000 0.954 215 K CA -1.288 54.808 56.287 -0.319 0.000 0.820 215 K CB 2.428 34.623 32.500 -0.509 0.000 1.292 215 K HN 0.215 nan 8.250 nan 0.000 0.436 216 L N 3.011 124.043 121.223 -0.319 0.000 2.319 216 L HA 0.493 4.833 4.340 0.001 0.000 0.281 216 L C -1.702 175.132 176.870 -0.060 0.000 1.005 216 L CA -0.267 54.473 54.840 -0.166 0.000 0.828 216 L CB 0.468 42.537 42.059 0.016 0.000 1.227 216 L HN 0.373 nan 8.230 nan 0.000 0.415 217 F N 2.987 123.002 119.950 0.109 0.000 2.404 217 F HA 0.563 5.090 4.527 0.001 0.000 0.354 217 F C 0.640 176.510 175.800 0.117 0.000 1.122 217 F CA -0.839 57.221 58.000 0.099 0.000 1.080 217 F CB 1.506 40.540 39.000 0.056 0.000 1.131 217 F HN 0.538 nan 8.300 nan 0.000 0.471 218 S N 1.708 117.613 115.700 0.342 0.000 2.489 218 S HA 0.538 5.009 4.470 0.001 0.000 0.291 218 S C -0.637 174.095 174.600 0.221 0.000 1.151 218 S CA -0.866 57.507 58.200 0.289 0.000 1.082 218 S CB 1.931 65.323 63.200 0.319 0.000 1.019 218 S HN 0.691 nan 8.310 nan 0.000 0.492 219 E N 2.727 123.051 120.200 0.207 0.000 2.155 219 E HA 0.202 4.553 4.350 0.001 0.000 0.264 219 E C -0.194 176.511 176.600 0.175 0.000 0.886 219 E CA -0.772 55.694 56.400 0.112 0.000 0.752 219 E CB 0.593 30.361 29.700 0.114 0.000 1.133 219 E HN 0.919 nan 8.360 nan 0.000 0.414 220 H N 3.151 122.292 119.070 0.118 0.000 2.603 220 H HA 0.475 5.032 4.556 0.001 0.000 0.370 220 H C -0.731 174.653 175.328 0.093 0.000 1.225 220 H CA -0.578 55.511 56.048 0.068 0.000 1.410 220 H CB 1.223 31.001 29.762 0.027 0.000 1.495 220 H HN 0.367 nan 8.280 nan 0.000 0.602 221 K N 2.342 122.801 120.400 0.099 0.000 2.587 221 K HA 0.076 4.397 4.320 0.001 0.000 0.256 221 K C 0.688 177.234 176.600 -0.090 0.000 0.974 221 K CA -0.510 55.704 56.287 -0.122 0.000 0.855 221 K CB 2.362 34.697 32.500 -0.275 0.000 1.292 221 K HN 0.715 nan 8.250 nan 0.000 0.444 222 M N 3.440 122.993 119.600 -0.078 0.000 2.108 222 M HA -0.148 4.333 4.480 0.001 0.000 0.261 222 M C -0.291 176.067 176.300 0.097 0.000 1.066 222 M CA 1.818 57.137 55.300 0.032 0.000 1.107 222 M CB 0.091 32.783 32.600 0.153 0.000 1.356 222 M HN 0.621 nan 8.290 nan 0.000 0.406 223 Y N -2.869 117.367 120.300 -0.106 0.000 2.788 223 Y HA 0.487 5.038 4.550 0.001 0.000 0.335 223 Y C -1.098 174.707 175.900 -0.158 0.000 1.287 223 Y CA -1.594 56.429 58.100 -0.129 0.000 1.068 223 Y CB 0.266 38.702 38.460 -0.040 0.000 1.340 223 Y HN 0.279 nan 8.280 nan 0.000 0.449 224 E N 1.523 121.603 120.200 -0.200 0.000 7.494 224 E HA -0.117 4.234 4.350 0.001 0.000 0.356 224 E C -2.350 174.145 176.600 -0.176 0.000 0.670 224 E CA 0.479 56.692 56.400 -0.311 0.000 1.219 224 E CB 0.191 29.800 29.700 -0.152 0.000 0.933 224 E HN 0.660 nan 8.360 nan 0.000 0.264 225 P HA -0.029 nan 4.420 nan 0.000 0.229 225 P C 0.294 177.113 177.300 -0.801 0.000 1.160 225 P CA 1.201 64.078 63.100 -0.372 0.000 0.777 225 P CB 0.185 31.816 31.700 -0.114 0.000 0.814 226 A N -0.303 122.183 122.820 -0.557 0.000 2.401 226 A HA 0.385 4.705 4.320 0.001 0.000 0.259 226 A C -0.043 177.184 177.584 -0.594 0.000 1.103 226 A CA -0.259 51.508 52.037 -0.450 0.000 0.789 226 A CB -0.298 18.590 19.000 -0.187 0.000 1.035 226 A HN -0.009 nan 8.150 nan 0.000 0.491 227 F N 0.769 120.752 119.950 0.055 0.000 2.661 227 F HA 0.211 4.739 4.527 0.001 0.000 0.306 227 F C 0.873 176.691 175.800 0.029 0.000 1.094 227 F CA 0.047 58.063 58.000 0.026 0.000 1.254 227 F CB 0.032 39.017 39.000 -0.024 0.000 1.040 227 F HN 0.787 nan 8.300 nan 0.000 0.562 228 Y N 0.089 120.412 120.300 0.039 0.000 2.817 228 Y HA 0.376 4.927 4.550 0.001 0.000 0.257 228 Y C 0.565 176.487 175.900 0.037 0.000 1.055 228 Y CA 0.318 58.438 58.100 0.033 0.000 1.319 228 Y CB 0.215 38.698 38.460 0.038 0.000 1.481 228 Y HN -0.148 nan 8.280 nan 0.000 0.471 229 S N -0.105 115.444 115.700 -0.252 0.000 2.569 229 S HA 0.736 5.206 4.470 0.001 0.000 0.280 229 S C -1.067 173.440 174.600 -0.156 0.000 1.111 229 S CA -0.414 57.584 58.200 -0.338 0.000 0.887 229 S CB 2.140 65.168 63.200 -0.287 0.000 1.095 229 S HN 0.118 nan 8.310 nan 0.000 0.476 230 T N 2.427 116.856 114.554 -0.209 0.000 2.881 230 T HA 0.409 4.760 4.350 0.001 0.000 0.290 230 T C 1.249 175.809 174.700 -0.233 0.000 1.000 230 T CA -0.611 61.384 62.100 -0.176 0.000 0.978 230 T CB 1.610 70.385 68.868 -0.155 0.000 0.997 230 T HN 0.529 nan 8.240 nan 0.000 0.443 231 V N 3.060 122.847 119.914 -0.212 0.000 2.231 231 V HA -0.095 4.026 4.120 0.001 0.000 0.248 231 V C 1.302 177.119 176.094 -0.463 0.000 1.054 231 V CA 1.553 63.679 62.300 -0.291 0.000 1.015 231 V CB -0.237 31.451 31.823 -0.225 0.000 0.638 231 V HN 0.722 nan 8.190 nan 0.000 0.444 232 V N 3.046 122.719 119.914 -0.401 0.000 2.154 232 V HA 0.129 4.250 4.120 0.001 0.000 0.265 232 V C 1.291 177.279 176.094 -0.178 0.000 1.293 232 V CA -0.008 62.087 62.300 -0.341 0.000 1.205 232 V CB 0.527 32.193 31.823 -0.262 0.000 1.306 232 V HN 0.637 nan 8.190 nan 0.000 0.479 233 Q N 2.068 121.731 119.800 -0.229 0.000 2.212 233 Q HA -0.014 4.327 4.340 0.001 0.000 0.199 233 Q C 0.181 176.144 176.000 -0.061 0.000 0.950 233 Q CA 1.517 57.231 55.803 -0.148 0.000 0.863 233 Q CB 0.433 29.039 28.738 -0.221 0.000 0.944 233 Q HN 0.771 nan 8.270 nan 0.000 0.465 234 D N -2.021 118.298 120.400 -0.136 0.000 2.664 234 D HA 0.047 4.687 4.640 0.001 0.000 0.292 234 D C 0.885 176.896 176.300 -0.482 0.000 1.214 234 D CA -0.522 53.357 54.000 -0.201 0.000 0.932 234 D CB -0.830 39.898 40.800 -0.121 0.000 1.420 234 D HN 0.136 nan 8.370 nan 0.000 0.471 235 W N 0.653 121.442 121.300 -0.852 0.000 2.421 235 W HA 0.073 4.734 4.660 0.001 0.000 0.270 235 W C 1.039 177.431 176.519 -0.212 0.000 1.233 235 W CA 1.188 58.158 57.345 -0.624 0.000 1.226 235 W CB -1.408 27.814 29.460 -0.396 0.000 1.121 235 W HN 0.452 nan 8.180 nan 0.000 0.579 236 G N 1.504 109.653 108.800 -1.085 0.000 2.414 236 G HA2 -0.259 3.702 3.960 0.001 0.000 0.215 236 G HA3 -0.259 3.702 3.960 0.001 0.000 0.215 236 G C 1.508 176.144 174.900 -0.439 0.000 1.188 236 G CA 2.125 46.634 45.100 -0.985 0.000 0.783 236 G HN 0.289 nan 8.290 nan 0.000 0.537 237 T N 0.906 115.230 114.554 -0.383 0.000 2.833 237 T HA -0.125 4.226 4.350 0.001 0.000 0.269 237 T C 2.329 176.946 174.700 -0.139 0.000 1.054 237 T CA 1.205 63.109 62.100 -0.327 0.000 1.135 237 T CB -0.248 68.304 68.868 -0.528 0.000 0.869 237 T HN 0.221 nan 8.240 nan 0.000 0.466 238 N N 0.556 119.200 118.700 -0.094 0.000 2.084 238 N HA -0.110 4.630 4.740 0.001 0.000 0.190 238 N C 1.618 177.200 175.510 0.120 0.000 1.030 238 N CA 1.227 54.328 53.050 0.085 0.000 0.849 238 N CB -0.477 38.142 38.487 0.221 0.000 1.012 238 N HN 0.480 nan 8.380 nan 0.000 0.423 239 Y N 1.407 121.703 120.300 -0.006 0.000 2.181 239 Y HA -0.080 4.471 4.550 0.001 0.000 0.288 239 Y C 2.212 178.122 175.900 0.016 0.000 1.146 239 Y CA 1.401 59.510 58.100 0.016 0.000 1.164 239 Y CB -0.518 37.882 38.460 -0.099 0.000 0.982 239 Y HN 0.051 nan 8.280 nan 0.000 0.515 240 L N -0.358 120.803 121.223 -0.105 0.000 2.079 240 L HA -0.274 4.067 4.340 0.001 0.000 0.210 240 L C 2.399 179.239 176.870 -0.050 0.000 1.081 240 L CA 1.572 56.361 54.840 -0.086 0.000 0.752 240 L CB -0.587 41.540 42.059 0.114 0.000 0.896 240 L HN 0.322 nan 8.230 nan 0.000 0.433 241 I N -0.329 120.290 120.570 0.082 0.000 2.133 241 I HA -0.259 3.911 4.170 0.001 0.000 0.238 241 I C 2.833 178.958 176.117 0.013 0.000 1.074 241 I CA 1.205 62.587 61.300 0.136 0.000 1.342 241 I CB -0.525 37.653 38.000 0.298 0.000 1.053 241 I HN 0.173 nan 8.210 nan 0.000 0.404 242 A N 0.115 122.933 122.820 -0.002 0.000 1.908 242 A HA -0.304 4.017 4.320 0.001 0.000 0.218 242 A C 2.233 179.750 177.584 -0.111 0.000 1.181 242 A CA 2.078 54.115 52.037 0.000 0.000 0.627 242 A CB -0.666 18.376 19.000 0.070 0.000 0.818 242 A HN 0.433 nan 8.150 nan 0.000 0.445 243 Q N -0.502 119.108 119.800 -0.316 0.000 2.119 243 Q HA -0.084 4.257 4.340 0.001 0.000 0.201 243 Q C 1.978 177.870 176.000 -0.180 0.000 0.972 243 Q CA 2.370 57.992 55.803 -0.302 0.000 0.847 243 Q CB -0.791 27.610 28.738 -0.562 0.000 0.903 243 Q HN 0.575 nan 8.270 nan 0.000 0.433 244 T N 0.521 114.969 114.554 -0.176 0.000 2.812 244 T HA 0.012 4.363 4.350 0.001 0.000 0.264 244 T C 1.667 176.243 174.700 -0.208 0.000 1.042 244 T CA 1.019 63.023 62.100 -0.159 0.000 1.140 244 T CB -0.116 68.662 68.868 -0.151 0.000 0.870 244 T HN 0.198 nan 8.240 nan 0.000 0.445 245 L N 0.155 121.242 121.223 -0.227 0.000 2.005 245 L HA 0.215 4.556 4.340 0.001 0.000 0.207 245 L C 1.533 177.984 176.870 -0.699 0.000 1.072 245 L CA 0.993 55.570 54.840 -0.438 0.000 0.744 245 L CB -0.661 41.235 42.059 -0.270 0.000 0.895 245 L HN 0.508 nan 8.230 nan 0.000 0.433 246 G N -2.673 105.934 108.800 -0.322 0.000 2.368 246 G HA2 0.009 3.970 3.960 0.001 0.000 0.302 246 G HA3 0.009 3.970 3.960 0.001 0.000 0.302 246 G C -2.615 172.372 174.900 0.146 0.000 1.329 246 G CA -0.560 44.459 45.100 -0.135 0.000 0.935 246 G HN -0.242 nan 8.290 nan 0.000 0.590 247 P HA -0.035 nan 4.420 nan 0.000 0.218 247 P C 1.519 178.952 177.300 0.223 0.000 1.146 247 P CA 1.394 64.609 63.100 0.191 0.000 0.813 247 P CB 0.094 31.889 31.700 0.157 0.000 0.778 248 K N -1.246 119.339 120.400 0.309 0.000 2.418 248 K HA 0.192 4.512 4.320 0.001 0.000 0.195 248 K C 0.779 177.496 176.600 0.196 0.000 1.035 248 K CA 0.012 56.391 56.287 0.154 0.000 1.003 248 K CB 0.101 32.501 32.500 -0.167 0.000 0.793 248 K HN 0.073 nan 8.250 nan 0.000 0.494 249 A N 1.646 124.679 122.820 0.355 0.000 2.290 249 A HA 0.352 4.673 4.320 0.001 0.000 0.310 249 A C -0.559 177.187 177.584 0.270 0.000 1.202 249 A CA -0.425 51.785 52.037 0.289 0.000 0.837 249 A CB 0.641 19.815 19.000 0.290 0.000 1.139 249 A HN 0.094 nan 8.150 nan 0.000 0.509 250 Q N 0.306 120.320 119.800 0.357 0.000 2.544 250 Q HA 0.474 4.815 4.340 0.001 0.000 0.291 250 Q C -1.389 174.844 176.000 0.389 0.000 1.068 250 Q CA -0.817 55.223 55.803 0.395 0.000 0.785 250 Q CB 2.252 31.274 28.738 0.473 0.000 1.481 250 Q HN 0.784 nan 8.270 nan 0.000 0.430 251 C N 1.265 120.731 119.300 0.277 0.000 2.365 251 C HA 0.582 5.043 4.460 0.001 0.000 0.351 251 C C -0.091 174.913 174.990 0.024 0.000 1.240 251 C CA -0.677 58.468 59.018 0.213 0.000 2.062 251 C CB -0.354 27.558 27.740 0.287 0.000 2.387 251 C HN 0.561 nan 8.230 nan 0.000 0.537 252 L N 2.738 123.919 121.223 -0.070 0.000 2.307 252 L HA 0.578 4.919 4.340 0.001 0.000 0.284 252 L C -0.611 176.027 176.870 -0.386 0.000 1.023 252 L CA -0.350 54.286 54.840 -0.339 0.000 0.810 252 L CB 1.504 43.281 42.059 -0.470 0.000 1.231 252 L HN 0.444 nan 8.230 nan 0.000 0.423 253 V N 2.472 122.072 119.914 -0.524 0.000 2.313 253 V HA 0.224 4.345 4.120 0.001 0.000 0.278 253 V C -0.329 175.095 176.094 -1.115 0.000 1.017 253 V CA -0.604 61.307 62.300 -0.648 0.000 0.823 253 V CB 1.470 32.996 31.823 -0.495 0.000 1.010 253 V HN 0.614 nan 8.190 nan 0.000 0.443 254 D N 4.373 124.227 120.400 -0.910 0.000 2.329 254 D HA 0.279 4.920 4.640 0.001 0.000 0.232 254 D C 1.136 177.080 176.300 -0.593 0.000 1.088 254 D CA -0.355 53.110 54.000 -0.891 0.000 0.835 254 D CB 1.726 41.756 40.800 -1.283 0.000 1.078 254 D HN 0.349 nan 8.370 nan 0.000 0.495 255 L N 3.216 124.224 121.223 -0.358 0.000 1.991 255 L HA -0.219 4.121 4.340 0.001 0.000 0.221 255 L C 2.019 178.964 176.870 0.125 0.000 1.079 255 L CA 2.098 56.964 54.840 0.043 0.000 0.778 255 L CB -0.490 41.690 42.059 0.202 0.000 0.893 255 L HN 0.553 nan 8.230 nan 0.000 0.437 256 G N -2.671 106.133 108.800 0.008 0.000 3.061 256 G HA2 -0.128 3.832 3.960 0.001 0.000 0.208 256 G HA3 -0.128 3.832 3.960 0.001 0.000 0.208 256 G C 0.828 175.785 174.900 0.095 0.000 1.175 256 G CA -0.127 45.017 45.100 0.073 0.000 0.812 256 G HN 0.601 nan 8.290 nan 0.000 0.523 257 H N -0.348 118.540 119.070 -0.302 0.000 2.537 257 H HA 0.175 4.732 4.556 0.001 0.000 0.295 257 H C 0.037 175.050 175.328 -0.526 0.000 1.054 257 H CA -0.501 55.272 56.048 -0.459 0.000 1.156 257 H CB 0.390 29.812 29.762 -0.567 0.000 1.468 257 H HN 0.362 nan 8.280 nan 0.000 0.551 258 H N -0.146 119.002 119.070 0.130 0.000 2.710 258 H HA 0.455 5.012 4.556 0.001 0.000 0.361 258 H C 0.062 175.468 175.328 0.130 0.000 1.175 258 H CA -0.839 55.290 56.048 0.135 0.000 1.206 258 H CB 1.507 31.334 29.762 0.109 0.000 1.750 258 H HN 0.212 nan 8.280 nan 0.000 0.553 259 A N 1.973 124.945 122.820 0.252 0.000 2.406 259 A HA 0.252 4.573 4.320 0.001 0.000 0.243 259 A C -2.156 175.527 177.584 0.166 0.000 1.082 259 A CA -1.079 51.074 52.037 0.193 0.000 0.786 259 A CB -0.683 18.402 19.000 0.142 0.000 1.029 259 A HN 0.401 nan 8.150 nan 0.000 0.495 260 P HA 0.052 nan 4.420 nan 0.000 0.264 260 P C -0.013 177.336 177.300 0.081 0.000 1.183 260 P CA 0.566 63.732 63.100 0.111 0.000 0.763 260 P CB 0.202 31.964 31.700 0.104 0.000 0.807 261 N N -1.294 117.444 118.700 0.063 0.000 2.900 261 N HA -0.140 4.601 4.740 0.001 0.000 0.240 261 N C -0.357 175.170 175.510 0.028 0.000 0.953 261 N CA 1.179 54.253 53.050 0.040 0.000 0.950 261 N CB -2.317 36.191 38.487 0.036 0.000 1.102 261 N HN 0.391 nan 8.380 nan 0.000 0.593 262 T N 1.719 116.298 114.554 0.042 0.000 2.946 262 T HA -0.044 4.307 4.350 0.001 0.000 0.311 262 T C 0.820 175.490 174.700 -0.049 0.000 1.063 262 T CA -0.007 62.100 62.100 0.012 0.000 1.139 262 T CB 0.549 69.442 68.868 0.042 0.000 0.994 262 T HN 0.158 nan 8.240 nan 0.000 0.547 263 N N 3.051 121.704 118.700 -0.080 0.000 2.602 263 N HA 0.121 4.862 4.740 0.001 0.000 0.238 263 N C 1.031 176.423 175.510 -0.197 0.000 1.084 263 N CA -0.199 52.784 53.050 -0.112 0.000 0.952 263 N CB 0.015 38.444 38.487 -0.097 0.000 1.244 263 N HN 0.554 nan 8.380 nan 0.000 0.512 264 I N 1.905 122.345 120.570 -0.216 0.000 2.252 264 I HA -0.232 3.939 4.170 0.001 0.000 0.245 264 I C 2.219 178.198 176.117 -0.230 0.000 1.102 264 I CA 0.726 61.839 61.300 -0.312 0.000 1.385 264 I CB -0.061 37.782 38.000 -0.261 0.000 1.064 264 I HN 0.523 nan 8.210 nan 0.000 0.414 265 E N 1.649 121.745 120.200 -0.172 0.000 2.160 265 E HA -0.316 4.035 4.350 0.001 0.000 0.195 265 E C 2.095 178.579 176.600 -0.193 0.000 0.991 265 E CA 1.564 57.864 56.400 -0.167 0.000 0.810 265 E CB -0.712 28.880 29.700 -0.180 0.000 0.742 265 E HN 0.586 nan 8.360 nan 0.000 0.466 266 M N 0.885 120.353 119.600 -0.220 0.000 2.099 266 M HA -0.088 4.393 4.480 0.001 0.000 0.262 266 M C 2.388 178.464 176.300 -0.375 0.000 1.067 266 M CA 1.369 56.523 55.300 -0.244 0.000 1.124 266 M CB -0.092 32.379 32.600 -0.215 0.000 1.353 266 M HN 0.015 nan 8.290 nan 0.000 0.410 267 I N -0.141 120.117 120.570 -0.520 0.000 2.194 267 I HA -0.315 3.856 4.170 0.001 0.000 0.246 267 I C 2.229 178.042 176.117 -0.508 0.000 1.093 267 I CA 1.261 62.051 61.300 -0.849 0.000 1.355 267 I CB -0.523 36.979 38.000 -0.831 0.000 1.046 267 I HN 0.196 nan 8.210 nan 0.000 0.413 268 V N 0.960 120.716 119.914 -0.262 0.000 2.295 268 V HA -0.326 3.795 4.120 0.001 0.000 0.246 268 V C 2.723 178.754 176.094 -0.104 0.000 1.049 268 V CA 2.068 64.311 62.300 -0.095 0.000 1.024 268 V CB -1.073 30.743 31.823 -0.010 0.000 0.648 268 V HN 0.519 nan 8.190 nan 0.000 0.447 269 A N -0.044 122.685 122.820 -0.152 0.000 1.865 269 A HA -0.228 4.093 4.320 0.001 0.000 0.217 269 A C 2.368 179.893 177.584 -0.099 0.000 1.191 269 A CA 1.764 53.724 52.037 -0.128 0.000 0.623 269 A CB -0.537 18.383 19.000 -0.133 0.000 0.826 269 A HN 0.406 nan 8.150 nan 0.000 0.444 270 R N -0.430 119.969 120.500 -0.169 0.000 2.094 270 R HA -0.145 4.196 4.340 0.001 0.000 0.239 270 R C 2.182 178.545 176.300 0.105 0.000 1.137 270 R CA 1.647 57.702 56.100 -0.074 0.000 0.943 270 R CB -1.274 28.774 30.300 -0.420 0.000 0.850 270 R HN 0.609 nan 8.270 nan 0.000 0.433 271 L N 0.364 121.598 121.223 0.017 0.000 2.012 271 L HA -0.196 4.145 4.340 0.001 0.000 0.210 271 L C 2.570 179.559 176.870 0.200 0.000 1.073 271 L CA 1.274 56.233 54.840 0.198 0.000 0.748 271 L CB -0.442 41.723 42.059 0.177 0.000 0.891 271 L HN 0.151 nan 8.230 nan 0.000 0.431 272 I N -0.690 119.925 120.570 0.076 0.000 2.179 272 I HA -0.349 3.822 4.170 0.001 0.000 0.242 272 I C 2.717 178.805 176.117 -0.048 0.000 1.088 272 I CA 1.336 62.614 61.300 -0.036 0.000 1.357 272 I CB -0.333 37.528 38.000 -0.231 0.000 1.051 272 I HN 0.401 nan 8.210 nan 0.000 0.409 273 Q N 0.774 120.560 119.800 -0.024 0.000 2.152 273 Q HA -0.220 4.121 4.340 0.001 0.000 0.206 273 Q C 1.400 177.255 176.000 -0.241 0.000 0.985 273 Q CA 1.901 57.627 55.803 -0.127 0.000 0.863 273 Q CB -0.011 28.679 28.738 -0.080 0.000 0.904 273 Q HN 0.486 nan 8.270 nan 0.000 0.422 274 F N -0.754 119.214 119.950 0.030 0.000 2.639 274 F HA 0.314 4.841 4.527 0.001 0.000 0.300 274 F C 1.127 177.027 175.800 0.168 0.000 1.109 274 F CA 0.206 58.266 58.000 0.100 0.000 1.335 274 F CB 0.757 39.812 39.000 0.091 0.000 1.014 274 F HN 0.151 nan 8.300 nan 0.000 0.537 275 G N 1.164 110.091 108.800 0.211 0.000 2.356 275 G HA2 -0.322 3.639 3.960 0.001 0.000 0.296 275 G HA3 -0.322 3.639 3.960 0.001 0.000 0.296 275 G C 0.918 175.993 174.900 0.291 0.000 1.022 275 G CA 0.260 45.489 45.100 0.214 0.000 0.961 275 G HN 0.253 nan 8.290 nan 0.000 0.510 276 K N -0.974 119.630 120.400 0.339 0.000 2.536 276 K HA 0.245 4.566 4.320 0.001 0.000 0.203 276 K C 0.447 177.232 176.600 0.309 0.000 1.063 276 K CA -0.556 55.940 56.287 0.348 0.000 1.063 276 K CB 0.670 33.436 32.500 0.444 0.000 0.843 276 K HN 0.382 nan 8.250 nan 0.000 0.521 277 L N 1.155 122.550 121.223 0.287 0.000 2.302 277 L HA 0.320 4.661 4.340 0.001 0.000 0.285 277 L C 1.117 178.091 176.870 0.174 0.000 1.090 277 L CA 0.210 55.191 54.840 0.235 0.000 0.866 277 L CB 0.701 42.936 42.059 0.293 0.000 1.244 277 L HN 0.211 nan 8.230 nan 0.000 0.435 278 G N 2.940 111.767 108.800 0.044 0.000 2.430 278 G HA2 0.404 4.365 3.960 0.001 0.000 0.216 278 G HA3 0.404 4.365 3.960 0.001 0.000 0.216 278 G C 0.561 175.098 174.900 -0.605 0.000 1.146 278 G CA 0.642 45.644 45.100 -0.163 0.000 0.793 278 G HN 0.965 nan 8.290 nan 0.000 0.537 279 G N -1.915 106.597 108.800 -0.481 0.000 2.356 279 G HA2 0.416 4.377 3.960 0.001 0.000 0.294 279 G HA3 0.416 4.377 3.960 0.001 0.000 0.294 279 G C -2.159 172.641 174.900 -0.166 0.000 1.423 279 G CA -0.858 44.033 45.100 -0.348 0.000 0.806 279 G HN 0.179 nan 8.290 nan 0.000 0.527 280 F N 0.500 120.371 119.950 -0.132 0.000 2.540 280 F HA 0.655 5.183 4.527 0.001 0.000 0.317 280 F C -0.138 175.445 175.800 -0.363 0.000 1.104 280 F CA -0.649 57.130 58.000 -0.368 0.000 0.913 280 F CB 2.083 40.697 39.000 -0.643 0.000 1.170 280 F HN 0.488 nan 8.300 nan 0.000 0.450 281 H N 6.029 124.767 119.070 -0.553 0.000 2.623 281 H HA 0.303 4.860 4.556 0.001 0.000 0.299 281 H C -1.000 174.213 175.328 -0.191 0.000 1.052 281 H CA -0.717 55.159 56.048 -0.288 0.000 1.231 281 H CB 0.855 30.424 29.762 -0.322 0.000 1.389 281 H HN 0.382 nan 8.280 nan 0.000 0.469 282 F N 3.250 123.407 119.950 0.346 0.000 2.375 282 F HA 0.167 4.695 4.527 0.001 0.000 0.333 282 F C 0.591 176.474 175.800 0.138 0.000 1.104 282 F CA -0.270 57.903 58.000 0.289 0.000 1.149 282 F CB 0.914 40.028 39.000 0.190 0.000 1.190 282 F HN 0.723 nan 8.300 nan 0.000 0.533 283 N N -0.779 118.115 118.700 0.322 0.000 3.514 283 N HA 0.283 5.024 4.740 0.001 0.000 0.268 283 N C -2.259 173.353 175.510 0.169 0.000 1.391 283 N CA -0.972 52.184 53.050 0.177 0.000 0.821 283 N CB 0.794 39.331 38.487 0.083 0.000 1.563 283 N HN 0.354 nan 8.380 nan 0.000 0.426 284 D N -1.591 118.877 120.400 0.114 0.000 2.531 284 D HA 0.811 5.452 4.640 0.001 0.000 0.244 284 D C -1.223 175.123 176.300 0.076 0.000 1.090 284 D CA -0.021 54.041 54.000 0.104 0.000 0.989 284 D CB 2.135 42.993 40.800 0.097 0.000 1.433 284 D HN 0.829 nan 8.370 nan 0.000 0.492 285 S N -0.260 115.477 115.700 0.062 0.000 2.611 285 S HA 0.428 4.899 4.470 0.001 0.000 0.268 285 S C -0.140 174.446 174.600 -0.022 0.000 1.156 285 S CA -0.695 57.531 58.200 0.043 0.000 0.817 285 S CB 2.458 65.698 63.200 0.067 0.000 1.122 285 S HN 0.480 nan 8.310 nan 0.000 0.466 286 K N -0.871 119.464 120.400 -0.109 0.000 2.550 286 K HA 0.335 4.656 4.320 0.001 0.000 0.205 286 K C 0.224 176.529 176.600 -0.492 0.000 1.429 286 K CA 0.006 56.071 56.287 -0.371 0.000 0.997 286 K CB 0.148 32.266 32.500 -0.637 0.000 1.328 286 K HN 0.662 nan 8.250 nan 0.000 0.546 287 Y N -0.643 119.713 120.300 0.093 0.000 2.576 287 Y HA 0.416 4.967 4.550 0.001 0.000 0.282 287 Y C 1.385 177.373 175.900 0.146 0.000 1.139 287 Y CA 0.308 58.474 58.100 0.110 0.000 1.265 287 Y CB 0.498 39.022 38.460 0.106 0.000 1.376 287 Y HN 0.125 nan 8.280 nan 0.000 0.511 288 G N -0.961 108.020 108.800 0.301 0.000 3.137 288 G HA2 0.172 4.133 3.960 0.001 0.000 0.196 288 G HA3 0.172 4.133 3.960 0.001 0.000 0.196 288 G C -1.382 173.575 174.900 0.096 0.000 1.135 288 G CA -0.385 44.848 45.100 0.222 0.000 0.803 288 G HN -0.074 nan 8.290 nan 0.000 0.619 289 D N 0.817 121.205 120.400 -0.021 0.000 2.608 289 D HA 0.223 4.864 4.640 0.001 0.000 0.224 289 D C 0.532 176.849 176.300 0.027 0.000 1.123 289 D CA -0.290 53.702 54.000 -0.015 0.000 1.030 289 D CB -0.029 40.690 40.800 -0.134 0.000 1.093 289 D HN 0.176 nan 8.370 nan 0.000 0.497 290 D N 1.188 121.634 120.400 0.076 0.000 2.310 290 D HA -0.122 4.519 4.640 0.001 0.000 0.212 290 D C 0.155 176.486 176.300 0.052 0.000 0.965 290 D CA 0.387 54.443 54.000 0.093 0.000 0.879 290 D CB -0.029 40.851 40.800 0.134 0.000 0.921 290 D HN 0.427 nan 8.370 nan 0.000 0.510 291 D N 0.284 120.702 120.400 0.030 0.000 2.686 291 D HA -0.188 4.453 4.640 0.001 0.000 0.235 291 D C 0.094 176.380 176.300 -0.025 0.000 1.160 291 D CA 0.410 54.409 54.000 -0.002 0.000 0.645 291 D CB -1.360 39.428 40.800 -0.022 0.000 1.039 291 D HN 0.343 nan 8.370 nan 0.000 0.423 292 L N 0.089 121.323 121.223 0.018 0.000 2.439 292 L HA 0.212 4.552 4.340 0.001 0.000 0.259 292 L C 0.978 177.871 176.870 0.038 0.000 1.129 292 L CA -0.721 54.133 54.840 0.023 0.000 0.803 292 L CB 0.455 42.548 42.059 0.056 0.000 1.161 292 L HN -0.180 nan 8.230 nan 0.000 0.462 293 D N 1.304 121.740 120.400 0.059 0.000 2.533 293 D HA 0.179 4.819 4.640 0.001 0.000 0.236 293 D C 0.175 176.532 176.300 0.095 0.000 1.137 293 D CA 0.241 54.297 54.000 0.094 0.000 0.867 293 D CB 0.634 41.496 40.800 0.103 0.000 1.170 293 D HN 0.574 nan 8.370 nan 0.000 0.474 294 A N 1.932 124.820 122.820 0.113 0.000 2.540 294 A HA 0.448 4.769 4.320 0.001 0.000 0.239 294 A C 1.669 179.314 177.584 0.101 0.000 1.061 294 A CA 0.445 52.560 52.037 0.130 0.000 0.758 294 A CB -0.203 18.887 19.000 0.150 0.000 0.991 294 A HN 0.957 nan 8.150 nan 0.000 0.502 295 G N 0.945 109.813 108.800 0.114 0.000 2.234 295 G HA2 -0.108 3.853 3.960 0.001 0.000 0.260 295 G HA3 -0.108 3.853 3.960 0.001 0.000 0.260 295 G C 1.295 176.249 174.900 0.089 0.000 0.987 295 G CA 1.218 46.381 45.100 0.105 0.000 0.625 295 G HN 2.033 nan 8.290 nan 0.000 0.532 296 A N -0.192 122.675 122.820 0.078 0.000 2.019 296 A HA 0.320 4.641 4.320 0.001 0.000 0.219 296 A C 2.239 179.859 177.584 0.060 0.000 1.164 296 A CA 2.075 54.152 52.037 0.065 0.000 0.644 296 A CB -0.211 18.827 19.000 0.064 0.000 0.805 296 A HN 0.574 nan 8.150 nan 0.000 0.449 297 I N -1.605 119.003 120.570 0.062 0.000 3.132 297 I HA 0.135 4.306 4.170 0.001 0.000 0.255 297 I C 0.406 176.556 176.117 0.055 0.000 1.118 297 I CA 0.694 62.020 61.300 0.044 0.000 1.463 297 I CB -0.979 37.035 38.000 0.023 0.000 1.356 297 I HN 0.227 nan 8.210 nan 0.000 0.463 298 E N 2.394 122.639 120.200 0.074 0.000 2.795 298 E HA 0.194 4.545 4.350 0.001 0.000 0.226 298 E C -1.788 174.892 176.600 0.132 0.000 1.088 298 E CA -1.470 54.986 56.400 0.093 0.000 0.812 298 E CB 1.791 31.534 29.700 0.072 0.000 1.328 298 E HN 0.139 nan 8.360 nan 0.000 0.410 299 P HA -0.209 nan 4.420 nan 0.000 0.218 299 P C 1.200 178.677 177.300 0.294 0.000 1.149 299 P CA 0.952 64.194 63.100 0.236 0.000 0.817 299 P CB 0.238 32.094 31.700 0.261 0.000 0.785 300 Y N 1.889 122.191 120.300 0.004 0.000 2.242 300 Y HA -0.104 4.447 4.550 0.001 0.000 0.291 300 Y C 2.846 178.718 175.900 -0.047 0.000 1.137 300 Y CA 1.189 59.107 58.100 -0.305 0.000 1.181 300 Y CB -0.795 37.377 38.460 -0.480 0.000 0.989 300 Y HN -0.207 nan 8.280 nan 0.000 0.527 301 R N -0.376 120.117 120.500 -0.013 0.000 2.096 301 R HA -0.163 4.178 4.340 0.001 0.000 0.235 301 R C 2.125 178.402 176.300 -0.039 0.000 1.127 301 R CA 1.503 57.557 56.100 -0.077 0.000 0.968 301 R CB -0.574 29.726 30.300 -0.000 0.000 0.861 301 R HN 0.412 nan 8.270 nan 0.000 0.440 302 L N 0.525 121.793 121.223 0.074 0.000 2.046 302 L HA -0.112 4.229 4.340 0.001 0.000 0.208 302 L C 1.970 178.949 176.870 0.183 0.000 1.077 302 L CA 1.672 56.590 54.840 0.131 0.000 0.747 302 L CB -0.745 41.431 42.059 0.195 0.000 0.896 302 L HN 0.274 nan 8.230 nan 0.000 0.432 303 F N -0.543 119.429 119.950 0.036 0.000 2.186 303 F HA -0.148 4.380 4.527 0.001 0.000 0.299 303 F C 1.896 177.648 175.800 -0.079 0.000 1.090 303 F CA 1.507 59.531 58.000 0.040 0.000 1.307 303 F CB -0.264 38.777 39.000 0.069 0.000 1.019 303 F HN 0.048 nan 8.300 nan 0.000 0.489 304 L N -0.605 120.385 121.223 -0.388 0.000 2.291 304 L HA -0.117 4.224 4.340 0.001 0.000 0.214 304 L C 2.222 178.873 176.870 -0.365 0.000 1.120 304 L CA 0.297 54.832 54.840 -0.509 0.000 0.799 304 L CB -0.517 41.276 42.059 -0.444 0.000 0.925 304 L HN 0.073 nan 8.230 nan 0.000 0.446 305 V N -0.838 118.904 119.914 -0.287 0.000 2.346 305 V HA -0.214 3.906 4.120 0.001 0.000 0.244 305 V C 2.155 178.022 176.094 -0.378 0.000 1.037 305 V CA 1.622 63.721 62.300 -0.335 0.000 1.029 305 V CB -0.437 31.099 31.823 -0.478 0.000 0.663 305 V HN 0.213 nan 8.190 nan 0.000 0.454 306 F N 1.003 120.784 119.950 -0.282 0.000 2.234 306 F HA -0.133 4.395 4.527 0.001 0.000 0.299 306 F C 2.287 177.927 175.800 -0.267 0.000 1.087 306 F CA 1.734 59.601 58.000 -0.222 0.000 1.340 306 F CB -0.687 38.191 39.000 -0.204 0.000 1.031 306 F HN 0.235 nan 8.300 nan 0.000 0.500 307 N N 0.355 118.863 118.700 -0.320 0.000 2.104 307 N HA -0.198 4.542 4.740 0.001 0.000 0.190 307 N C 1.739 177.142 175.510 -0.178 0.000 1.024 307 N CA 1.566 54.399 53.050 -0.361 0.000 0.853 307 N CB -0.093 38.056 38.487 -0.564 0.000 1.008 307 N HN 0.082 nan 8.380 nan 0.000 0.424 308 E N 0.168 120.265 120.200 -0.172 0.000 2.106 308 E HA -0.083 4.268 4.350 0.001 0.000 0.192 308 E C 2.133 178.711 176.600 -0.037 0.000 0.984 308 E CA 0.531 56.862 56.400 -0.115 0.000 0.806 308 E CB -0.301 29.321 29.700 -0.130 0.000 0.750 308 E HN 0.481 nan 8.360 nan 0.000 0.458 309 L N 0.213 121.447 121.223 0.018 0.000 2.027 309 L HA -0.144 4.197 4.340 0.001 0.000 0.206 309 L C 2.526 179.537 176.870 0.235 0.000 1.074 309 L CA 0.813 55.774 54.840 0.202 0.000 0.745 309 L CB -0.522 41.672 42.059 0.225 0.000 0.898 309 L HN -0.025 nan 8.230 nan 0.000 0.433 310 V N -0.013 120.006 119.914 0.175 0.000 2.427 310 V HA -0.301 3.820 4.120 0.001 0.000 0.248 310 V C 2.101 178.231 176.094 0.060 0.000 1.051 310 V CA 2.084 64.467 62.300 0.138 0.000 1.048 310 V CB -0.501 31.359 31.823 0.062 0.000 0.666 310 V HN 0.505 nan 8.190 nan 0.000 0.456 311 D N 0.141 120.545 120.400 0.005 0.000 2.218 311 D HA -0.121 4.520 4.640 0.001 0.000 0.204 311 D C 2.081 178.356 176.300 -0.041 0.000 0.976 311 D CA 1.220 55.204 54.000 -0.027 0.000 0.853 311 D CB -0.047 40.720 40.800 -0.056 0.000 0.939 311 D HN 0.390 nan 8.370 nan 0.000 0.481 312 A N 0.497 123.285 122.820 -0.055 0.000 1.877 312 A HA -0.210 4.111 4.320 0.001 0.000 0.216 312 A C 2.161 179.704 177.584 -0.068 0.000 1.186 312 A CA 1.759 53.704 52.037 -0.152 0.000 0.620 312 A CB -0.841 17.936 19.000 -0.373 0.000 0.822 312 A HN 0.447 nan 8.150 nan 0.000 0.443 313 E N -0.030 120.200 120.200 0.051 0.000 2.110 313 E HA -0.110 4.241 4.350 0.001 0.000 0.193 313 E C 2.051 178.674 176.600 0.038 0.000 0.988 313 E CA 1.103 57.556 56.400 0.089 0.000 0.804 313 E CB -0.288 29.505 29.700 0.155 0.000 0.745 313 E HN 0.507 nan 8.360 nan 0.000 0.458 314 A N 1.157 123.990 122.820 0.021 0.000 1.902 314 A HA -0.128 4.192 4.320 0.001 0.000 0.217 314 A C 2.186 179.762 177.584 -0.012 0.000 1.181 314 A CA 1.436 53.475 52.037 0.004 0.000 0.623 314 A CB -0.422 18.575 19.000 -0.005 0.000 0.818 314 A HN 0.174 nan 8.150 nan 0.000 0.443 315 R N -1.360 119.121 120.500 -0.030 0.000 2.316 315 R HA 0.135 4.475 4.340 0.001 0.000 0.202 315 R C 1.090 177.366 176.300 -0.040 0.000 1.029 315 R CA 0.594 56.668 56.100 -0.044 0.000 1.018 315 R CB -0.214 30.044 30.300 -0.070 0.000 0.888 315 R HN 0.735 nan 8.270 nan 0.000 0.471 316 G N 0.762 109.547 108.800 -0.026 0.000 2.212 316 G HA2 -0.231 3.730 3.960 0.001 0.000 0.255 316 G HA3 -0.231 3.730 3.960 0.001 0.000 0.255 316 G C 0.017 174.900 174.900 -0.028 0.000 1.062 316 G CA -0.023 45.069 45.100 -0.013 0.000 0.815 316 G HN 0.130 nan 8.290 nan 0.000 0.497 317 V N 0.057 119.932 119.914 -0.064 0.000 2.673 317 V HA 0.207 4.327 4.120 0.001 0.000 0.303 317 V C 1.093 177.180 176.094 -0.011 0.000 1.046 317 V CA 0.435 62.678 62.300 -0.096 0.000 1.126 317 V CB 0.926 32.587 31.823 -0.269 0.000 0.934 317 V HN 0.466 nan 8.190 nan 0.000 0.487 318 K N 2.895 123.301 120.400 0.010 0.000 2.144 318 K HA 0.535 4.855 4.320 0.001 0.000 0.270 318 K C 0.986 177.648 176.600 0.103 0.000 1.005 318 K CA 0.175 56.495 56.287 0.055 0.000 0.932 318 K CB 0.949 33.478 32.500 0.048 0.000 1.021 318 K HN 1.034 nan 8.250 nan 0.000 0.462 319 G N 2.283 111.155 108.800 0.119 0.000 2.393 319 G HA2 -0.274 3.687 3.960 0.001 0.000 0.299 319 G HA3 -0.274 3.687 3.960 0.001 0.000 0.299 319 G C -0.679 174.328 174.900 0.178 0.000 0.990 319 G CA 0.088 45.303 45.100 0.191 0.000 1.118 319 G HN 0.467 nan 8.290 nan 0.000 0.513 320 F N 1.776 121.575 119.950 -0.252 0.000 2.311 320 F HA 0.597 5.125 4.527 0.001 0.000 0.371 320 F C 0.118 175.661 175.800 -0.430 0.000 1.083 320 F CA -2.043 55.833 58.000 -0.207 0.000 1.113 320 F CB 0.687 39.617 39.000 -0.117 0.000 1.349 320 F HN 0.235 nan 8.300 nan 0.000 0.470 321 H N 4.823 123.741 119.070 -0.254 0.000 2.348 321 H HA 0.361 4.918 4.556 0.001 0.000 0.232 321 H C -2.380 172.711 175.328 -0.395 0.000 1.419 321 H CA -1.895 53.959 56.048 -0.323 0.000 1.416 321 H CB 0.003 29.689 29.762 -0.127 0.000 1.510 321 H HN 0.393 nan 8.280 nan 0.000 0.507 322 P HA 0.129 nan 4.420 nan 0.000 0.267 322 P C -0.311 176.681 177.300 -0.512 0.000 1.200 322 P CA -0.275 62.504 63.100 -0.535 0.000 0.772 322 P CB 0.841 32.149 31.700 -0.654 0.000 0.855 323 A N 2.540 125.156 122.820 -0.340 0.000 2.269 323 A HA 0.295 4.616 4.320 0.001 0.000 0.302 323 A C -0.559 176.962 177.584 -0.105 0.000 1.266 323 A CA -0.339 51.585 52.037 -0.187 0.000 0.894 323 A CB -0.447 18.545 19.000 -0.014 0.000 1.147 323 A HN 0.650 nan 8.150 nan 0.000 0.537 324 H N 1.942 121.058 119.070 0.077 0.000 2.519 324 H HA 0.563 5.119 4.556 0.001 0.000 0.316 324 H C -0.446 175.023 175.328 0.235 0.000 1.065 324 H CA -0.325 55.864 56.048 0.236 0.000 1.264 324 H CB 1.363 31.337 29.762 0.354 0.000 1.413 324 H HN 0.694 nan 8.280 nan 0.000 0.465 325 M N 3.053 122.902 119.600 0.414 0.000 2.572 325 M HA 0.411 4.892 4.480 0.001 0.000 0.299 325 M C -0.914 175.495 176.300 0.182 0.000 1.205 325 M CA -0.506 54.917 55.300 0.205 0.000 0.876 325 M CB 2.776 35.409 32.600 0.055 0.000 1.728 325 M HN 0.385 nan 8.290 nan 0.000 0.458 326 I N 1.213 121.819 120.570 0.060 0.000 2.353 326 I HA 0.288 4.459 4.170 0.001 0.000 0.293 326 I C -0.648 175.393 176.117 -0.126 0.000 0.992 326 I CA -0.190 61.149 61.300 0.064 0.000 1.268 326 I CB 1.024 39.059 38.000 0.058 0.000 1.387 326 I HN 0.582 nan 8.210 nan 0.000 0.478 327 D N 7.014 127.362 120.400 -0.087 0.000 2.375 327 D HA 0.330 4.971 4.640 0.001 0.000 0.259 327 D C -0.772 175.529 176.300 0.002 0.000 1.235 327 D CA -0.195 53.764 54.000 -0.068 0.000 0.924 327 D CB 0.861 41.601 40.800 -0.100 0.000 1.143 327 D HN 0.528 nan 8.370 nan 0.000 0.529 328 Q N 0.242 120.029 119.800 -0.022 0.000 2.552 328 Q HA 0.608 4.949 4.340 0.001 0.000 0.289 328 Q C -1.052 174.808 176.000 -0.233 0.000 1.097 328 Q CA -1.070 54.661 55.803 -0.120 0.000 0.812 328 Q CB 2.381 31.022 28.738 -0.160 0.000 1.460 328 Q HN 0.207 nan 8.270 nan 0.000 0.452 329 S N -0.270 115.197 115.700 -0.389 0.000 2.532 329 S HA 0.491 4.962 4.470 0.001 0.000 0.299 329 S C -1.842 172.448 174.600 -0.517 0.000 1.105 329 S CA -0.600 57.422 58.200 -0.297 0.000 1.018 329 S CB 0.428 63.593 63.200 -0.058 0.000 1.021 329 S HN 0.592 nan 8.310 nan 0.000 0.483 330 H N 3.819 122.930 119.070 0.068 0.000 2.725 330 H HA 0.433 4.990 4.556 0.001 0.000 0.283 330 H C 0.354 175.732 175.328 0.083 0.000 1.110 330 H CA -0.830 55.256 56.048 0.064 0.000 1.289 330 H CB 0.594 30.380 29.762 0.040 0.000 1.400 330 H HN 0.484 nan 8.280 nan 0.000 0.493 331 N N 1.637 120.424 118.700 0.144 0.000 2.405 331 N HA -0.043 4.698 4.740 0.001 0.000 0.175 331 N C 0.908 176.527 175.510 0.183 0.000 1.051 331 N CA 0.689 53.840 53.050 0.167 0.000 0.899 331 N CB 0.920 39.505 38.487 0.164 0.000 1.000 331 N HN 0.484 nan 8.380 nan 0.000 0.451 332 V N -2.605 117.398 119.914 0.148 0.000 3.111 332 V HA 0.439 4.560 4.120 0.001 0.000 0.343 332 V C -0.022 176.131 176.094 0.099 0.000 1.417 332 V CA -0.338 62.030 62.300 0.114 0.000 1.142 332 V CB -0.229 31.643 31.823 0.082 0.000 1.114 332 V HN 0.137 nan 8.190 nan 0.000 0.520 333 T N -3.780 110.845 114.554 0.120 0.000 2.812 333 T HA 0.477 4.828 4.350 0.001 0.000 0.294 333 T C -1.193 173.556 174.700 0.081 0.000 1.159 333 T CA -0.342 61.814 62.100 0.095 0.000 1.008 333 T CB 2.163 71.088 68.868 0.095 0.000 1.289 333 T HN 0.141 nan 8.240 nan 0.000 0.514 334 D N 1.499 121.930 120.400 0.052 0.000 2.346 334 D HA 0.233 4.873 4.640 0.001 0.000 0.260 334 D C -1.496 174.762 176.300 -0.070 0.000 1.252 334 D CA -1.889 52.132 54.000 0.036 0.000 0.895 334 D CB 1.304 42.151 40.800 0.078 0.000 1.097 334 D HN 0.101 nan 8.370 nan 0.000 0.489 335 P HA -0.196 nan 4.420 nan 0.000 0.217 335 P C 1.676 178.724 177.300 -0.421 0.000 1.158 335 P CA 1.211 64.112 63.100 -0.332 0.000 0.887 335 P CB 0.211 31.808 31.700 -0.172 0.000 0.792 336 I N -0.732 119.667 120.570 -0.285 0.000 2.208 336 I HA -0.255 3.916 4.170 0.001 0.000 0.245 336 I C 2.286 178.137 176.117 -0.442 0.000 1.097 336 I CA 1.595 62.678 61.300 -0.362 0.000 1.363 336 I CB -0.675 37.087 38.000 -0.395 0.000 1.051 336 I HN 0.052 nan 8.210 nan 0.000 0.413 337 E N 0.334 120.274 120.200 -0.433 0.000 2.072 337 E HA -0.159 4.192 4.350 0.001 0.000 0.191 337 E C 2.369 178.855 176.600 -0.190 0.000 0.985 337 E CA 1.402 57.606 56.400 -0.326 0.000 0.801 337 E CB -0.092 29.495 29.700 -0.188 0.000 0.750 337 E HN 0.336 nan 8.360 nan 0.000 0.452 338 S N 1.003 116.604 115.700 -0.165 0.000 2.368 338 S HA -0.100 4.371 4.470 0.001 0.000 0.225 338 S C 2.036 176.592 174.600 -0.074 0.000 1.030 338 S CA 0.764 58.928 58.200 -0.060 0.000 0.999 338 S CB -0.147 63.108 63.200 0.091 0.000 0.844 338 S HN 0.166 nan 8.310 nan 0.000 0.459 339 L N 0.887 121.986 121.223 -0.207 0.000 2.046 339 L HA -0.097 4.244 4.340 0.001 0.000 0.208 339 L C 2.188 178.998 176.870 -0.100 0.000 1.077 339 L CA 1.052 55.812 54.840 -0.132 0.000 0.747 339 L CB -0.528 41.407 42.059 -0.206 0.000 0.896 339 L HN 0.312 nan 8.230 nan 0.000 0.432 340 I N 0.056 120.540 120.570 -0.144 0.000 2.127 340 I HA -0.325 3.846 4.170 0.001 0.000 0.241 340 I C 2.125 178.204 176.117 -0.064 0.000 1.075 340 I CA 1.387 62.619 61.300 -0.114 0.000 1.334 340 I CB -0.369 37.537 38.000 -0.156 0.000 1.040 340 I HN 0.365 nan 8.210 nan 0.000 0.405 341 N N 0.269 118.937 118.700 -0.055 0.000 2.331 341 N HA -0.087 4.654 4.740 0.001 0.000 0.180 341 N C 1.968 177.474 175.510 -0.007 0.000 1.019 341 N CA 0.951 53.986 53.050 -0.024 0.000 0.881 341 N CB -0.149 38.331 38.487 -0.013 0.000 0.972 341 N HN 0.191 nan 8.380 nan 0.000 0.435 342 S N 0.720 116.423 115.700 0.005 0.000 2.355 342 S HA -0.016 4.455 4.470 0.001 0.000 0.222 342 S C 2.082 176.683 174.600 0.001 0.000 1.031 342 S CA 1.008 59.224 58.200 0.028 0.000 0.993 342 S CB -0.269 62.972 63.200 0.070 0.000 0.859 342 S HN 0.475 nan 8.310 nan 0.000 0.453 343 A N 2.106 124.922 122.820 -0.007 0.000 1.940 343 A HA -0.193 4.127 4.320 0.001 0.000 0.219 343 A C 1.846 179.417 177.584 -0.022 0.000 1.176 343 A CA 1.752 53.784 52.037 -0.009 0.000 0.631 343 A CB -0.858 18.139 19.000 -0.005 0.000 0.814 343 A HN 0.635 nan 8.150 nan 0.000 0.446 344 N N -0.741 117.944 118.700 -0.025 0.000 2.106 344 N HA -0.142 4.599 4.740 0.001 0.000 0.188 344 N C 1.655 177.131 175.510 -0.057 0.000 1.029 344 N CA 1.065 54.096 53.050 -0.033 0.000 0.848 344 N CB -0.148 38.324 38.487 -0.025 0.000 1.007 344 N HN 0.361 nan 8.380 nan 0.000 0.423 345 E N 1.256 121.430 120.200 -0.045 0.000 2.085 345 E HA -0.157 4.193 4.350 0.001 0.000 0.194 345 E C 2.065 178.600 176.600 -0.109 0.000 0.994 345 E CA 0.784 57.157 56.400 -0.045 0.000 0.801 345 E CB -0.263 29.438 29.700 0.002 0.000 0.743 345 E HN 0.468 nan 8.360 nan 0.000 0.453 346 I N 0.460 120.939 120.570 -0.152 0.000 2.179 346 I HA -0.275 3.895 4.170 0.001 0.000 0.242 346 I C 2.626 178.443 176.117 -0.501 0.000 1.088 346 I CA 1.106 62.220 61.300 -0.309 0.000 1.357 346 I CB -0.260 37.546 38.000 -0.324 0.000 1.051 346 I HN 0.010 nan 8.210 nan 0.000 0.409 347 R N 0.183 120.505 120.500 -0.296 0.000 2.115 347 R HA -0.149 4.192 4.340 0.001 0.000 0.230 347 R C 2.452 178.582 176.300 -0.283 0.000 1.111 347 R CA 1.025 56.949 56.100 -0.293 0.000 0.976 347 R CB -0.288 29.963 30.300 -0.081 0.000 0.870 347 R HN 0.336 nan 8.270 nan 0.000 0.445 348 R N 0.471 120.845 120.500 -0.210 0.000 2.073 348 R HA -0.101 4.240 4.340 0.001 0.000 0.234 348 R C 2.104 178.298 176.300 -0.177 0.000 1.134 348 R CA 1.534 57.539 56.100 -0.158 0.000 0.952 348 R CB -0.188 30.054 30.300 -0.097 0.000 0.850 348 R HN 0.184 nan 8.270 nan 0.000 0.433 349 A N 0.007 122.699 122.820 -0.215 0.000 1.930 349 A HA -0.211 4.110 4.320 0.001 0.000 0.217 349 A C 1.977 179.333 177.584 -0.380 0.000 1.175 349 A CA 1.254 53.222 52.037 -0.116 0.000 0.627 349 A CB -0.800 18.200 19.000 0.000 0.000 0.815 349 A HN 0.609 nan 8.150 nan 0.000 0.443 350 Y N 0.756 120.381 120.300 -1.125 0.000 2.114 350 Y HA -0.070 4.481 4.550 0.001 0.000 0.284 350 Y C 2.642 178.228 175.900 -0.522 0.000 1.143 350 Y CA 1.180 58.554 58.100 -1.210 0.000 1.135 350 Y CB -0.804 36.631 38.460 -1.709 0.000 0.980 350 Y HN 0.300 nan 8.280 nan 0.000 0.499 351 A N 0.464 122.982 122.820 -0.503 0.000 1.873 351 A HA -0.312 4.009 4.320 0.001 0.000 0.218 351 A C 2.115 179.541 177.584 -0.263 0.000 1.193 351 A CA 2.293 54.090 52.037 -0.401 0.000 0.629 351 A CB -0.950 17.916 19.000 -0.223 0.000 0.826 351 A HN 0.699 nan 8.150 nan 0.000 0.447 352 Q N -0.766 118.962 119.800 -0.121 0.000 2.124 352 Q HA -0.071 4.270 4.340 0.001 0.000 0.202 352 Q C 2.339 178.467 176.000 0.213 0.000 0.977 352 Q CA 1.323 57.147 55.803 0.035 0.000 0.850 352 Q CB -0.406 28.380 28.738 0.080 0.000 0.901 352 Q HN 0.701 nan 8.270 nan 0.000 0.429 353 A N 0.785 123.696 122.820 0.153 0.000 1.969 353 A HA -0.117 4.204 4.320 0.001 0.000 0.218 353 A C 2.001 179.542 177.584 -0.072 0.000 1.169 353 A CA 0.910 52.971 52.037 0.042 0.000 0.635 353 A CB -0.488 18.435 19.000 -0.128 0.000 0.810 353 A HN 0.290 nan 8.150 nan 0.000 0.445 354 L N -0.747 120.340 121.223 -0.226 0.000 2.201 354 L HA -0.078 4.263 4.340 0.001 0.000 0.212 354 L C 2.045 178.848 176.870 -0.112 0.000 1.105 354 L CA 0.641 55.341 54.840 -0.233 0.000 0.775 354 L CB -0.387 41.439 42.059 -0.388 0.000 0.913 354 L HN 0.364 nan 8.230 nan 0.000 0.440 355 L N -0.611 120.569 121.223 -0.070 0.000 2.551 355 L HA -0.008 4.333 4.340 0.001 0.000 0.228 355 L C 0.718 177.598 176.870 0.016 0.000 1.153 355 L CA -0.233 54.586 54.840 -0.035 0.000 0.851 355 L CB -0.200 41.835 42.059 -0.040 0.000 0.959 355 L HN -0.032 nan 8.230 nan 0.000 0.451 356 V N 0.965 120.912 119.914 0.055 0.000 2.529 356 V HA -0.097 4.024 4.120 0.001 0.000 0.292 356 V C 0.521 176.641 176.094 0.044 0.000 1.028 356 V CA -0.004 62.347 62.300 0.086 0.000 1.074 356 V CB 0.809 32.700 31.823 0.112 0.000 0.958 356 V HN 0.129 nan 8.190 nan 0.000 0.481 357 D N 5.568 125.999 120.400 0.052 0.000 2.508 357 D HA 0.071 4.712 4.640 0.001 0.000 0.224 357 D C 1.470 177.789 176.300 0.031 0.000 1.171 357 D CA -0.260 53.759 54.000 0.033 0.000 1.006 357 D CB 0.358 41.182 40.800 0.040 0.000 1.073 357 D HN 0.379 nan 8.370 nan 0.000 0.513 358 R N 2.391 122.900 120.500 0.015 0.000 2.117 358 R HA -0.173 4.168 4.340 0.001 0.000 0.243 358 R C 1.822 178.116 176.300 -0.011 0.000 1.143 358 R CA 1.221 57.325 56.100 0.006 0.000 0.968 358 R CB -0.800 29.497 30.300 -0.005 0.000 0.863 358 R HN 0.440 nan 8.270 nan 0.000 0.444 359 A N 1.549 124.356 122.820 -0.022 0.000 1.865 359 A HA -0.093 4.228 4.320 0.001 0.000 0.217 359 A C 2.487 180.019 177.584 -0.087 0.000 1.191 359 A CA 2.032 54.041 52.037 -0.047 0.000 0.623 359 A CB -0.740 18.233 19.000 -0.044 0.000 0.826 359 A HN 0.365 nan 8.150 nan 0.000 0.444 360 A N -0.798 121.970 122.820 -0.087 0.000 1.902 360 A HA -0.007 4.314 4.320 0.001 0.000 0.217 360 A C 2.153 179.629 177.584 -0.179 0.000 1.181 360 A CA 1.740 53.659 52.037 -0.195 0.000 0.623 360 A CB -0.650 18.319 19.000 -0.051 0.000 0.818 360 A HN 0.693 nan 8.150 nan 0.000 0.443 361 L N -0.116 121.123 121.223 0.026 0.000 1.989 361 L HA -0.138 4.203 4.340 0.001 0.000 0.211 361 L C 2.577 179.470 176.870 0.038 0.000 1.071 361 L CA 2.641 57.550 54.840 0.114 0.000 0.749 361 L CB -0.912 41.201 42.059 0.091 0.000 0.890 361 L HN 0.334 nan 8.230 nan 0.000 0.431 362 S N -0.709 114.980 115.700 -0.017 0.000 2.387 362 S HA -0.177 4.294 4.470 0.001 0.000 0.230 362 S C 1.962 176.528 174.600 -0.056 0.000 1.035 362 S CA 1.422 59.604 58.200 -0.030 0.000 1.014 362 S CB -0.847 62.328 63.200 -0.040 0.000 0.836 362 S HN 0.718 nan 8.310 nan 0.000 0.466 363 G N -0.695 108.021 108.800 -0.140 0.000 2.394 363 G HA2 -0.115 3.845 3.960 0.001 0.000 0.214 363 G HA3 -0.115 3.845 3.960 0.001 0.000 0.214 363 G C 1.107 175.928 174.900 -0.132 0.000 1.176 363 G CA 0.748 45.729 45.100 -0.197 0.000 0.786 363 G HN 0.574 nan 8.290 nan 0.000 0.533 364 Y N 1.210 121.510 120.300 0.001 0.000 2.274 364 Y HA -0.080 4.471 4.550 0.001 0.000 0.290 364 Y C 3.093 178.994 175.900 0.001 0.000 1.145 364 Y CA 1.154 59.255 58.100 0.002 0.000 1.203 364 Y CB -0.469 37.995 38.460 0.007 0.000 0.984 364 Y HN 0.298 nan 8.280 nan 0.000 0.533 365 Q N -0.506 119.377 119.800 0.138 0.000 2.079 365 Q HA -0.185 4.156 4.340 0.001 0.000 0.200 365 Q C 2.049 178.078 176.000 0.048 0.000 0.974 365 Q CA 1.278 57.127 55.803 0.077 0.000 0.840 365 Q CB -0.105 28.660 28.738 0.045 0.000 0.898 365 Q HN 0.264 nan 8.270 nan 0.000 0.430 366 E N 1.231 121.448 120.200 0.030 0.000 2.077 366 E HA -0.147 4.204 4.350 0.001 0.000 0.193 366 E C 0.933 177.547 176.600 0.024 0.000 0.989 366 E CA 1.107 57.515 56.400 0.013 0.000 0.800 366 E CB -0.065 29.630 29.700 -0.008 0.000 0.746 366 E HN 0.273 nan 8.360 nan 0.000 0.452 367 D N -0.008 120.417 120.400 0.043 0.000 2.324 367 D HA 0.001 4.641 4.640 0.001 0.000 0.235 367 D C -0.430 175.906 176.300 0.059 0.000 1.095 367 D CA 0.033 54.064 54.000 0.051 0.000 0.871 367 D CB -0.648 40.196 40.800 0.073 0.000 0.906 367 D HN 0.214 nan 8.370 nan 0.000 0.522 368 N N 1.444 120.178 118.700 0.056 0.000 2.714 368 N HA -0.197 4.544 4.740 0.001 0.000 0.252 368 N C -0.664 174.875 175.510 0.049 0.000 1.014 368 N CA 0.401 53.479 53.050 0.046 0.000 0.735 368 N CB -0.608 37.896 38.487 0.028 0.000 0.924 368 N HN 0.108 nan 8.380 nan 0.000 0.540 369 D N -0.047 120.401 120.400 0.080 0.000 2.564 369 D HA 0.434 5.075 4.640 0.001 0.000 0.226 369 D C 1.127 177.424 176.300 -0.005 0.000 1.149 369 D CA 0.215 54.243 54.000 0.047 0.000 0.994 369 D CB 0.090 40.959 40.800 0.116 0.000 1.029 369 D HN 0.371 nan 8.370 nan 0.000 0.517 370 A N 3.335 126.152 122.820 -0.006 0.000 1.927 370 A HA -0.214 4.107 4.320 0.001 0.000 0.220 370 A C 2.084 179.640 177.584 -0.047 0.000 1.185 370 A CA 1.247 53.275 52.037 -0.014 0.000 0.639 370 A CB -0.545 18.451 19.000 -0.007 0.000 0.820 370 A HN 0.605 nan 8.150 nan 0.000 0.451 371 L N -1.554 119.624 121.223 -0.075 0.000 2.027 371 L HA -0.142 4.199 4.340 0.001 0.000 0.206 371 L C 2.432 179.197 176.870 -0.176 0.000 1.074 371 L CA 1.635 56.416 54.840 -0.099 0.000 0.745 371 L CB -0.201 41.805 42.059 -0.088 0.000 0.898 371 L HN 0.281 nan 8.230 nan 0.000 0.433 372 M N -0.599 118.803 119.600 -0.331 0.000 2.319 372 M HA -0.044 4.437 4.480 0.001 0.000 0.265 372 M C 2.370 178.362 176.300 -0.513 0.000 1.068 372 M CA 1.366 56.289 55.300 -0.628 0.000 1.118 372 M CB -1.426 30.342 32.600 -1.386 0.000 1.395 372 M HN 0.451 nan 8.290 nan 0.000 0.435 373 A N -0.535 122.131 122.820 -0.256 0.000 1.873 373 A HA -0.152 4.169 4.320 0.001 0.000 0.215 373 A C 2.393 179.989 177.584 0.019 0.000 1.186 373 A CA 2.354 54.392 52.037 0.003 0.000 0.616 373 A CB -1.162 17.874 19.000 0.061 0.000 0.823 373 A HN 0.412 nan 8.150 nan 0.000 0.442 374 T N -1.002 113.548 114.554 -0.006 0.000 2.821 374 T HA -0.125 4.226 4.350 0.001 0.000 0.267 374 T C 1.925 176.648 174.700 0.038 0.000 1.046 374 T CA 1.834 63.958 62.100 0.040 0.000 1.139 374 T CB -0.224 68.661 68.868 0.029 0.000 0.871 374 T HN 0.597 nan 8.240 nan 0.000 0.454 375 E N 0.423 120.605 120.200 -0.031 0.000 2.150 375 E HA -0.068 4.283 4.350 0.001 0.000 0.193 375 E C 2.151 178.756 176.600 0.009 0.000 0.985 375 E CA 1.540 57.919 56.400 -0.034 0.000 0.814 375 E CB -0.651 28.994 29.700 -0.092 0.000 0.752 375 E HN 0.374 nan 8.360 nan 0.000 0.466 376 T N 0.559 115.130 114.554 0.028 0.000 2.867 376 T HA -0.086 4.264 4.350 0.001 0.000 0.268 376 T C 1.445 176.226 174.700 0.135 0.000 1.057 376 T CA 0.982 63.143 62.100 0.101 0.000 1.136 376 T CB -0.183 68.797 68.868 0.186 0.000 0.874 376 T HN 0.068 nan 8.240 nan 0.000 0.466 377 L N 0.901 122.225 121.223 0.168 0.000 2.072 377 L HA 0.084 4.425 4.340 0.001 0.000 0.205 377 L C 2.334 179.350 176.870 0.243 0.000 1.079 377 L CA 1.597 56.613 54.840 0.294 0.000 0.752 377 L CB -0.452 41.810 42.059 0.338 0.000 0.906 377 L HN -0.035 nan 8.230 nan 0.000 0.436 378 K N -0.342 120.146 120.400 0.146 0.000 2.147 378 K HA -0.097 4.224 4.320 0.001 0.000 0.205 378 K C 2.185 178.788 176.600 0.005 0.000 1.049 378 K CA 0.995 57.317 56.287 0.059 0.000 0.936 378 K CB -0.236 32.264 32.500 -0.001 0.000 0.722 378 K HN 0.321 nan 8.250 nan 0.000 0.446 379 R N 0.134 120.642 120.500 0.013 0.000 2.096 379 R HA -0.084 4.257 4.340 0.001 0.000 0.235 379 R C 2.278 178.554 176.300 -0.040 0.000 1.127 379 R CA 1.346 57.435 56.100 -0.017 0.000 0.968 379 R CB -0.267 30.035 30.300 0.004 0.000 0.861 379 R HN 0.157 nan 8.270 nan 0.000 0.440 380 A N 0.191 123.008 122.820 -0.005 0.000 1.872 380 A HA -0.180 4.141 4.320 0.001 0.000 0.214 380 A C 1.954 179.442 177.584 -0.159 0.000 1.187 380 A CA 0.922 52.947 52.037 -0.020 0.000 0.614 380 A CB -0.708 18.372 19.000 0.133 0.000 0.826 380 A HN 0.419 nan 8.150 nan 0.000 0.442 381 Y N 0.833 120.835 120.300 -0.497 0.000 2.165 381 Y HA -0.187 4.364 4.550 0.001 0.000 0.286 381 Y C 2.366 178.054 175.900 -0.354 0.000 1.155 381 Y CA 2.001 59.677 58.100 -0.706 0.000 1.164 381 Y CB -0.275 37.634 38.460 -0.917 0.000 0.978 381 Y HN 0.229 nan 8.280 nan 0.000 0.513 382 R N -0.274 119.992 120.500 -0.390 0.000 2.237 382 R HA -0.030 4.310 4.340 0.001 0.000 0.219 382 R C 0.397 176.505 176.300 -0.321 0.000 1.080 382 R CA 0.960 56.825 56.100 -0.392 0.000 0.995 382 R CB -0.565 29.613 30.300 -0.204 0.000 0.875 382 R HN 0.180 nan 8.270 nan 0.000 0.462 383 T N 1.681 116.078 114.554 -0.262 0.000 2.853 383 T HA -0.046 4.304 4.350 0.001 0.000 0.298 383 T C -0.123 174.448 174.700 -0.216 0.000 0.978 383 T CA -0.012 61.968 62.100 -0.200 0.000 1.152 383 T CB 0.803 69.578 68.868 -0.154 0.000 0.914 383 T HN 0.009 nan 8.240 nan 0.000 0.539 384 D N 3.535 123.828 120.400 -0.179 0.000 2.383 384 D HA 0.072 4.713 4.640 0.001 0.000 0.245 384 D C 1.206 177.426 176.300 -0.133 0.000 1.263 384 D CA -0.683 53.222 54.000 -0.158 0.000 0.936 384 D CB 0.273 40.997 40.800 -0.127 0.000 1.053 384 D HN 0.347 nan 8.370 nan 0.000 0.507 385 V N 1.614 121.447 119.914 -0.135 0.000 3.623 385 V HA 0.060 4.181 4.120 0.001 0.000 0.271 385 V C 1.794 177.841 176.094 -0.077 0.000 1.248 385 V CA 0.298 62.528 62.300 -0.115 0.000 1.156 385 V CB -0.141 31.608 31.823 -0.124 0.000 0.870 385 V HN 0.291 nan 8.190 nan 0.000 0.453 386 E N 2.606 122.765 120.200 -0.068 0.000 2.114 386 E HA -0.159 4.191 4.350 0.001 0.000 0.199 386 E C -0.085 176.516 176.600 0.001 0.000 1.008 386 E CA 2.597 58.975 56.400 -0.037 0.000 0.810 386 E CB -1.566 28.111 29.700 -0.037 0.000 0.739 386 E HN 0.511 nan 8.360 nan 0.000 0.456 387 P HA -0.108 nan 4.420 nan 0.000 0.216 387 P C 1.315 178.732 177.300 0.197 0.000 1.150 387 P CA 1.354 64.514 63.100 0.101 0.000 0.837 387 P CB -0.057 31.691 31.700 0.080 0.000 0.786 388 I N -1.757 118.872 120.570 0.098 0.000 2.179 388 I HA -0.230 3.941 4.170 0.001 0.000 0.242 388 I C 1.958 178.137 176.117 0.104 0.000 1.088 388 I CA 1.192 62.575 61.300 0.138 0.000 1.357 388 I CB -0.665 37.334 38.000 -0.002 0.000 1.051 388 I HN -0.100 nan 8.210 nan 0.000 0.409 389 L N 0.775 122.022 121.223 0.041 0.000 2.046 389 L HA -0.183 4.157 4.340 0.001 0.000 0.208 389 L C 2.694 179.584 176.870 0.034 0.000 1.077 389 L CA 2.166 57.021 54.840 0.024 0.000 0.747 389 L CB -1.255 40.801 42.059 -0.005 0.000 0.896 389 L HN 0.209 nan 8.230 nan 0.000 0.432 390 A N -0.756 122.087 122.820 0.039 0.000 1.877 390 A HA -0.238 4.083 4.320 0.001 0.000 0.216 390 A C 2.312 179.904 177.584 0.014 0.000 1.186 390 A CA 1.730 53.783 52.037 0.026 0.000 0.620 390 A CB -0.562 18.455 19.000 0.027 0.000 0.822 390 A HN 0.410 nan 8.150 nan 0.000 0.443 391 E N 0.519 120.734 120.200 0.025 0.000 2.110 391 E HA -0.061 4.290 4.350 0.001 0.000 0.193 391 E C 1.934 178.523 176.600 -0.019 0.000 0.988 391 E CA 1.650 58.017 56.400 -0.055 0.000 0.804 391 E CB -0.542 29.062 29.700 -0.159 0.000 0.745 391 E HN 0.447 nan 8.360 nan 0.000 0.458 392 A N 0.929 123.768 122.820 0.032 0.000 1.908 392 A HA -0.206 4.114 4.320 0.001 0.000 0.218 392 A C 2.272 179.875 177.584 0.032 0.000 1.181 392 A CA 1.781 53.842 52.037 0.039 0.000 0.627 392 A CB -0.509 18.523 19.000 0.054 0.000 0.818 392 A HN 0.248 nan 8.150 nan 0.000 0.445 393 R N -1.154 119.362 120.500 0.026 0.000 2.066 393 R HA -0.097 4.244 4.340 0.001 0.000 0.232 393 R C 2.558 178.864 176.300 0.010 0.000 1.131 393 R CA 1.357 57.472 56.100 0.024 0.000 0.955 393 R CB -0.373 29.938 30.300 0.019 0.000 0.851 393 R HN 0.555 nan 8.270 nan 0.000 0.432 394 R N 1.308 121.803 120.500 -0.008 0.000 2.094 394 R HA -0.176 4.165 4.340 0.001 0.000 0.239 394 R C 2.216 178.505 176.300 -0.018 0.000 1.137 394 R CA 1.847 57.934 56.100 -0.023 0.000 0.943 394 R CB -0.110 30.160 30.300 -0.050 0.000 0.850 394 R HN 0.179 nan 8.270 nan 0.000 0.433 395 R N -0.671 119.817 120.500 -0.019 0.000 2.159 395 R HA -0.084 4.257 4.340 0.001 0.000 0.237 395 R C 1.846 178.154 176.300 0.013 0.000 1.131 395 R CA 1.795 57.890 56.100 -0.009 0.000 0.982 395 R CB -0.207 30.088 30.300 -0.007 0.000 0.868 395 R HN 0.429 nan 8.270 nan 0.000 0.453 396 T N -3.714 110.856 114.554 0.027 0.000 3.105 396 T HA 0.312 4.663 4.350 0.001 0.000 0.253 396 T C 1.137 175.862 174.700 0.043 0.000 1.047 396 T CA 0.227 62.353 62.100 0.044 0.000 0.944 396 T CB 1.119 70.030 68.868 0.071 0.000 1.016 396 T HN 0.370 nan 8.240 nan 0.000 0.544 397 G N 0.141 108.958 108.800 0.028 0.000 2.157 397 G HA2 -0.041 3.920 3.960 0.001 0.000 0.239 397 G HA3 -0.041 3.920 3.960 0.001 0.000 0.239 397 G C 0.441 175.357 174.900 0.027 0.000 0.982 397 G CA -0.275 44.842 45.100 0.028 0.000 0.650 397 G HN 0.995 nan 8.290 nan 0.000 0.527 398 G N -0.468 108.347 108.800 0.024 0.000 2.532 398 G HA2 0.809 4.770 3.960 0.001 0.000 0.291 398 G HA3 0.809 4.770 3.960 0.001 0.000 0.291 398 G C 0.186 175.091 174.900 0.009 0.000 1.349 398 G CA 0.228 45.340 45.100 0.021 0.000 1.038 398 G HN 1.526 nan 8.290 nan 0.000 0.518 399 A N -1.127 121.698 122.820 0.009 0.000 2.304 399 A HA 0.549 4.870 4.320 0.001 0.000 0.323 399 A C 1.177 178.763 177.584 0.004 0.000 1.195 399 A CA -0.515 51.525 52.037 0.005 0.000 0.826 399 A CB 1.582 20.589 19.000 0.012 0.000 1.184 399 A HN 0.718 nan 8.150 nan 0.000 0.496 400 V N 1.356 121.269 119.914 -0.001 0.000 2.324 400 V HA -0.136 3.985 4.120 0.001 0.000 0.250 400 V C 0.840 176.936 176.094 0.004 0.000 1.060 400 V CA 2.474 64.773 62.300 -0.001 0.000 1.042 400 V CB -0.359 31.460 31.823 -0.006 0.000 0.650 400 V HN 0.890 nan 8.190 nan 0.000 0.450 401 D N -1.575 118.829 120.400 0.007 0.000 2.378 401 D HA 0.245 4.886 4.640 0.001 0.000 0.265 401 D C -1.952 174.360 176.300 0.020 0.000 1.229 401 D CA -2.029 51.978 54.000 0.011 0.000 0.914 401 D CB 1.916 42.724 40.800 0.012 0.000 1.140 401 D HN 0.041 nan 8.370 nan 0.000 0.516 402 P HA -0.196 nan 4.420 nan 0.000 0.214 402 P C 1.657 178.987 177.300 0.050 0.000 1.169 402 P CA 0.851 63.963 63.100 0.019 0.000 0.908 402 P CB 0.450 32.145 31.700 -0.009 0.000 0.791 403 V N -0.292 119.644 119.914 0.036 0.000 2.407 403 V HA -0.249 3.872 4.120 0.001 0.000 0.248 403 V C 2.461 178.633 176.094 0.130 0.000 1.055 403 V CA 2.163 64.509 62.300 0.077 0.000 1.049 403 V CB -1.803 30.040 31.823 0.035 0.000 0.662 403 V HN 0.116 nan 8.190 nan 0.000 0.455 404 A N -0.205 122.661 122.820 0.077 0.000 1.902 404 A HA -0.221 4.100 4.320 0.001 0.000 0.217 404 A C 2.412 180.035 177.584 0.066 0.000 1.181 404 A CA 2.513 54.588 52.037 0.063 0.000 0.623 404 A CB -0.954 18.067 19.000 0.035 0.000 0.818 404 A HN 0.489 nan 8.150 nan 0.000 0.443 405 T N -1.616 112.978 114.554 0.067 0.000 2.777 405 T HA -0.143 4.208 4.350 0.001 0.000 0.266 405 T C 1.777 176.525 174.700 0.081 0.000 1.040 405 T CA 1.562 63.694 62.100 0.055 0.000 1.141 405 T CB -0.424 68.470 68.868 0.043 0.000 0.868 405 T HN 0.575 nan 8.240 nan 0.000 0.444 406 Y N 2.314 122.611 120.300 -0.006 0.000 2.165 406 Y HA -0.169 4.382 4.550 0.001 0.000 0.286 406 Y C 2.403 178.326 175.900 0.038 0.000 1.155 406 Y CA 1.378 59.478 58.100 0.000 0.000 1.164 406 Y CB -0.167 38.284 38.460 -0.015 0.000 0.978 406 Y HN 0.022 nan 8.280 nan 0.000 0.513 407 R N -0.276 120.247 120.500 0.038 0.000 2.115 407 R HA -0.032 4.309 4.340 0.001 0.000 0.226 407 R C 2.427 178.688 176.300 -0.065 0.000 1.100 407 R CA 0.897 56.968 56.100 -0.047 0.000 0.980 407 R CB -0.472 29.865 30.300 0.060 0.000 0.875 407 R HN 0.428 nan 8.270 nan 0.000 0.445 408 A N 1.070 123.872 122.820 -0.029 0.000 2.014 408 A HA -0.113 4.207 4.320 0.001 0.000 0.218 408 A C 2.130 179.691 177.584 -0.039 0.000 1.163 408 A CA 1.479 53.502 52.037 -0.025 0.000 0.652 408 A CB -0.274 18.721 19.000 -0.008 0.000 0.808 408 A HN 0.382 nan 8.150 nan 0.000 0.449 409 S N -1.301 114.366 115.700 -0.055 0.000 2.489 409 S HA 0.286 4.757 4.470 0.001 0.000 0.228 409 S C 1.519 176.088 174.600 -0.052 0.000 0.995 409 S CA 1.103 59.280 58.200 -0.038 0.000 0.934 409 S CB -0.679 62.512 63.200 -0.016 0.000 0.771 409 S HN 1.888 nan 8.310 nan 0.000 0.522 410 G N 0.550 109.285 108.800 -0.108 0.000 2.225 410 G HA2 -0.395 3.566 3.960 0.001 0.000 0.267 410 G HA3 -0.395 3.566 3.960 0.001 0.000 0.267 410 G C 0.204 175.033 174.900 -0.117 0.000 1.024 410 G CA 0.534 45.568 45.100 -0.109 0.000 0.784 410 G HN 0.629 nan 8.290 nan 0.000 0.507 411 Y N 0.807 120.924 120.300 -0.306 0.000 2.081 411 Y HA -0.231 4.320 4.550 0.001 0.000 0.280 411 Y C 2.820 178.628 175.900 -0.154 0.000 1.163 411 Y CA 2.850 60.811 58.100 -0.231 0.000 1.135 411 Y CB -0.243 38.048 38.460 -0.283 0.000 0.970 411 Y HN 0.338 nan 8.280 nan 0.000 0.498 412 R N 0.961 121.384 120.500 -0.128 0.000 2.096 412 R HA -0.195 4.146 4.340 0.001 0.000 0.240 412 R C 2.223 178.461 176.300 -0.103 0.000 1.139 412 R CA 1.927 58.008 56.100 -0.031 0.000 0.952 412 R CB -1.265 29.086 30.300 0.086 0.000 0.854 412 R HN 0.446 nan 8.270 nan 0.000 0.436 413 A N 0.645 123.404 122.820 -0.103 0.000 1.969 413 A HA -0.135 4.186 4.320 0.001 0.000 0.218 413 A C 2.246 179.763 177.584 -0.113 0.000 1.169 413 A CA 1.473 53.461 52.037 -0.081 0.000 0.635 413 A CB -0.627 18.336 19.000 -0.062 0.000 0.810 413 A HN 0.462 nan 8.150 nan 0.000 0.445 414 R N 0.380 120.775 120.500 -0.175 0.000 2.070 414 R HA -0.129 4.212 4.340 0.001 0.000 0.232 414 R C 2.050 178.225 176.300 -0.209 0.000 1.138 414 R CA 2.464 58.450 56.100 -0.190 0.000 0.936 414 R CB -0.750 29.404 30.300 -0.243 0.000 0.839 414 R HN 0.471 nan 8.270 nan 0.000 0.429 415 V N -1.007 118.708 119.914 -0.332 0.000 2.594 415 V HA -0.032 4.089 4.120 0.001 0.000 0.253 415 V C 2.415 178.440 176.094 -0.114 0.000 1.069 415 V CA 1.580 63.736 62.300 -0.240 0.000 1.082 415 V CB -1.146 30.497 31.823 -0.300 0.000 0.680 415 V HN 0.442 nan 8.190 nan 0.000 0.469 416 A N 0.906 123.669 122.820 -0.096 0.000 1.902 416 A HA 0.093 4.414 4.320 0.001 0.000 0.217 416 A C 2.423 179.986 177.584 -0.036 0.000 1.181 416 A CA 2.172 54.183 52.037 -0.043 0.000 0.623 416 A CB -0.948 18.035 19.000 -0.029 0.000 0.818 416 A HN 0.952 nan 8.150 nan 0.000 0.443 417 A N -0.455 122.336 122.820 -0.049 0.000 2.119 417 A HA -0.001 4.320 4.320 0.001 0.000 0.216 417 A C 1.802 179.367 177.584 -0.031 0.000 1.152 417 A CA 1.259 53.275 52.037 -0.035 0.000 0.708 417 A CB -0.285 18.693 19.000 -0.037 0.000 0.805 417 A HN 0.662 nan 8.150 nan 0.000 0.460 418 E N -0.284 119.891 120.200 -0.041 0.000 2.166 418 E HA 0.028 4.379 4.350 0.001 0.000 0.192 418 E C 0.293 176.886 176.600 -0.013 0.000 0.967 418 E CA 0.099 56.481 56.400 -0.029 0.000 0.840 418 E CB 0.093 29.769 29.700 -0.040 0.000 0.795 418 E HN 0.428 nan 8.360 nan 0.000 0.470 419 R N 2.758 123.250 120.500 -0.013 0.000 2.254 419 R HA 0.235 4.576 4.340 0.001 0.000 0.318 419 R C -2.331 173.974 176.300 0.008 0.000 1.031 419 R CA -1.718 54.385 56.100 0.004 0.000 0.905 419 R CB 0.646 30.952 30.300 0.010 0.000 1.050 419 R HN 0.031 nan 8.270 nan 0.000 0.456 420 P HA 0.155 nan 4.420 nan 0.000 0.286 420 P C -0.829 176.482 177.300 0.018 0.000 1.269 420 P CA -0.379 62.729 63.100 0.014 0.000 0.787 420 P CB 1.518 33.227 31.700 0.014 0.000 0.920 421 A N 3.494 126.324 122.820 0.018 0.000 2.386 421 A HA 0.469 4.790 4.320 0.001 0.000 0.248 421 A C 0.861 178.456 177.584 0.019 0.000 1.082 421 A CA -0.139 51.911 52.037 0.021 0.000 0.789 421 A CB -0.187 18.827 19.000 0.024 0.000 1.025 421 A HN 0.680 nan 8.150 nan 0.000 0.490 422 S N 0.000 115.711 115.700 0.018 0.000 2.498 422 S HA 0.000 4.471 4.470 0.001 0.000 0.327 422 S CA 0.000 58.209 58.200 0.015 0.000 1.107 422 S CB 0.000 63.207 63.200 0.012 0.000 0.593 422 S HN 0.000 nan 8.310 nan 0.000 0.517