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 2wya_1_D DATA FIRST_RESID 49 DATA SEQUENCE SMPKDVGILA LEVYFPAQYV DQTDLEKYNN VEAGKYTVGL GQTRMGFCSV DATA SEQUENCE QEDINSLCLT VVQRLMERIQ LPWDSVGRLE VGTETIIDKS KAVKTVLMEL DATA SEQUENCE FQDSGNTDIE GIDTTNACYG GTASLFNAAN WMESSSWDGR YAMVVCGDIA DATA SEQUENCE VYPSGNARPT GGAGAVAMLI GPKAPLALER GLRGTHMENV YDFYKPNLAS DATA SEQUENCE EYPIVDGKLS IQCYLRALDR CYTSYRKKIQ NQWKQAGSDR PFTLDDLQYM DATA SEQUENCE IFHTPFCKMV QKSLARLMFN DFLSASSDTQ TSLYKGLEAF GGLKLEDTYT DATA SEQUENCE NKDLDKALLK ASQDMFDKKT KASLYLSTHN GNMYTSSLYG CLASLLSHHS DATA SEQUENCE AQELAGSRIG AFSYGSGLAA SFFSFRVSQD AAPGSPLDKL VSSTSDLPKR DATA SEQUENCE LASRKCVSPE EFTEIMNQRE QFYHKVNFSP PGDTNSLFPG TWYLERVDEQ DATA SEQUENCE HRRKYARRPV 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 49 S HA 0.000 nan 4.470 nan 0.000 0.327 49 S C 0.000 174.618 174.600 0.030 0.000 1.055 49 S CA 0.000 58.213 58.200 0.022 0.000 1.107 49 S CB 0.000 63.218 63.200 0.030 0.000 0.593 50 M N 4.718 124.319 119.600 0.001 0.000 2.238 50 M HA 0.334 4.815 4.480 0.002 0.000 0.350 50 M C -1.931 174.342 176.300 -0.045 0.000 1.321 50 M CA -0.744 54.536 55.300 -0.032 0.000 1.097 50 M CB 0.427 32.993 32.600 -0.056 0.000 1.713 50 M HN 0.454 nan 8.290 nan 0.000 0.455 51 P HA 0.195 nan 4.420 nan 0.000 0.267 51 P C -1.099 176.134 177.300 -0.111 0.000 1.200 51 P CA 0.044 63.068 63.100 -0.127 0.000 0.772 51 P CB 0.168 31.606 31.700 -0.436 0.000 0.855 52 K N 0.741 121.112 120.400 -0.048 0.000 2.098 52 K HA 0.269 4.590 4.320 0.002 0.000 0.261 52 K C 0.415 177.005 176.600 -0.016 0.000 0.987 52 K CA -0.357 55.916 56.287 -0.023 0.000 0.916 52 K CB -0.449 32.055 32.500 0.008 0.000 1.039 52 K HN 0.580 nan 8.250 nan 0.000 0.455 53 D N -0.056 120.346 120.400 0.003 0.000 2.689 53 D HA -0.127 4.514 4.640 0.002 0.000 0.237 53 D C -0.190 176.128 176.300 0.031 0.000 1.148 53 D CA 0.886 54.906 54.000 0.034 0.000 0.656 53 D CB -1.851 38.980 40.800 0.052 0.000 1.050 53 D HN 0.414 nan 8.370 nan 0.000 0.426 54 V N -0.350 119.558 119.914 -0.011 0.000 2.599 54 V HA 0.476 4.597 4.120 0.002 0.000 0.300 54 V C 1.549 177.686 176.094 0.072 0.000 1.034 54 V CA 1.394 63.684 62.300 -0.017 0.000 1.115 54 V CB 1.176 32.941 31.823 -0.097 0.000 0.934 54 V HN 0.561 nan 8.190 nan 0.000 0.485 55 G N 4.445 113.308 108.800 0.105 0.000 2.356 55 G HA2 0.331 4.292 3.960 0.002 0.000 0.281 55 G HA3 0.331 4.292 3.960 0.002 0.000 0.281 55 G C -1.242 173.748 174.900 0.151 0.000 1.246 55 G CA -1.020 44.192 45.100 0.187 0.000 0.889 55 G HN 0.532 nan 8.290 nan 0.000 0.486 56 I N 1.788 122.444 120.570 0.145 0.000 2.352 56 I HA 0.278 4.449 4.170 0.002 0.000 0.290 56 I C 0.984 177.113 176.117 0.020 0.000 1.036 56 I CA -0.183 61.151 61.300 0.057 0.000 1.336 56 I CB 1.207 39.203 38.000 -0.008 0.000 1.407 56 I HN 0.344 nan 8.210 nan 0.000 0.497 57 L N 6.162 127.386 121.223 0.003 0.000 2.357 57 L HA 0.420 4.761 4.340 0.002 0.000 0.211 57 L C 0.744 177.584 176.870 -0.051 0.000 1.075 57 L CA 0.238 55.067 54.840 -0.019 0.000 0.830 57 L CB 0.136 42.172 42.059 -0.039 0.000 0.996 57 L HN 0.724 nan 8.230 nan 0.000 0.467 58 A N 0.107 122.889 122.820 -0.064 0.000 2.574 58 A HA 0.702 5.023 4.320 0.002 0.000 0.297 58 A C -1.791 175.761 177.584 -0.053 0.000 1.062 58 A CA -0.315 51.682 52.037 -0.067 0.000 0.686 58 A CB 1.821 20.764 19.000 -0.096 0.000 1.285 58 A HN -0.007 nan 8.150 nan 0.000 0.403 59 L N 0.685 121.885 121.223 -0.039 0.000 2.464 59 L HA 0.837 5.178 4.340 0.002 0.000 0.266 59 L C -1.180 175.685 176.870 -0.009 0.000 0.965 59 L CA -0.343 54.485 54.840 -0.020 0.000 0.833 59 L CB 2.090 44.144 42.059 -0.008 0.000 1.296 59 L HN 0.854 nan 8.230 nan 0.000 0.405 60 E N 2.968 123.170 120.200 0.003 0.000 2.248 60 E HA 0.605 4.956 4.350 0.002 0.000 0.267 60 E C -1.911 174.715 176.600 0.044 0.000 0.877 60 E CA -0.436 55.971 56.400 0.011 0.000 0.759 60 E CB 2.434 32.133 29.700 -0.002 0.000 1.182 60 E HN 0.395 nan 8.360 nan 0.000 0.418 61 V N 5.437 125.381 119.914 0.050 0.000 2.680 61 V HA 0.652 4.773 4.120 0.002 0.000 0.309 61 V C -1.758 174.353 176.094 0.027 0.000 1.052 61 V CA -0.600 61.756 62.300 0.092 0.000 0.908 61 V CB 1.422 33.340 31.823 0.159 0.000 1.001 61 V HN 0.749 nan 8.190 nan 0.000 0.431 62 Y N 7.370 127.635 120.300 -0.057 0.000 2.425 62 Y HA 0.818 5.369 4.550 0.001 0.000 0.344 62 Y C -1.144 174.725 175.900 -0.051 0.000 0.969 62 Y CA -1.482 56.507 58.100 -0.185 0.000 1.052 62 Y CB 1.837 40.259 38.460 -0.064 0.000 1.215 62 Y HN 0.684 nan 8.280 nan 0.000 0.451 63 F N 5.069 124.471 119.950 -0.913 0.000 2.613 63 F HA 0.848 5.376 4.527 0.002 0.000 0.310 63 F C -3.057 172.291 175.800 -0.753 0.000 1.085 63 F CA -3.146 54.469 58.000 -0.641 0.000 0.945 63 F CB 0.791 39.670 39.000 -0.202 0.000 1.298 63 F HN 0.233 nan 8.300 nan 0.000 0.455 64 P HA 0.199 nan 4.420 nan 0.000 0.273 64 P C -0.153 177.168 177.300 0.035 0.000 1.250 64 P CA -0.148 62.920 63.100 -0.053 0.000 0.793 64 P CB 1.063 32.738 31.700 -0.042 0.000 1.011 65 A N 0.285 122.942 122.820 -0.272 0.000 2.337 65 A HA 0.064 4.385 4.320 0.002 0.000 0.227 65 A C 0.819 178.206 177.584 -0.327 0.000 1.259 65 A CA 0.302 51.962 52.037 -0.628 0.000 0.870 65 A CB -0.552 17.709 19.000 -1.231 0.000 0.927 65 A HN 0.602 nan 8.150 nan 0.000 0.497 66 Q N -0.483 119.149 119.800 -0.280 0.000 2.416 66 Q HA 0.596 4.937 4.340 0.002 0.000 0.281 66 Q C -1.480 174.353 176.000 -0.279 0.000 1.067 66 Q CA -0.830 54.763 55.803 -0.351 0.000 0.809 66 Q CB 1.196 29.630 28.738 -0.507 0.000 1.418 66 Q HN 0.469 nan 8.270 nan 0.000 0.411 67 Y N -2.050 118.199 120.300 -0.086 0.000 2.615 67 Y HA 0.797 5.348 4.550 0.002 0.000 0.341 67 Y C -1.514 174.520 175.900 0.222 0.000 1.089 67 Y CA -1.388 56.760 58.100 0.080 0.000 1.049 67 Y CB 1.399 39.863 38.460 0.006 0.000 1.296 67 Y HN 0.480 nan 8.280 nan 0.000 0.470 68 V N 1.705 121.796 119.914 0.294 0.000 2.483 68 V HA 0.386 4.507 4.120 0.002 0.000 0.295 68 V C -0.984 175.186 176.094 0.127 0.000 1.035 68 V CA -0.471 61.828 62.300 -0.001 0.000 0.896 68 V CB 1.461 32.933 31.823 -0.584 0.000 0.986 68 V HN 0.951 nan 8.190 nan 0.000 0.447 69 D N 4.282 124.765 120.400 0.139 0.000 2.351 69 D HA 0.200 4.841 4.640 0.002 0.000 0.251 69 D C 0.970 177.298 176.300 0.046 0.000 1.137 69 D CA -0.105 53.978 54.000 0.139 0.000 0.879 69 D CB 1.354 42.248 40.800 0.157 0.000 1.181 69 D HN 0.567 nan 8.370 nan 0.000 0.448 70 Q N 2.024 121.843 119.800 0.032 0.000 2.119 70 Q HA -0.100 4.241 4.340 0.002 0.000 0.201 70 Q C 1.798 177.872 176.000 0.124 0.000 0.972 70 Q CA 1.249 57.100 55.803 0.080 0.000 0.847 70 Q CB -0.233 28.540 28.738 0.059 0.000 0.903 70 Q HN 0.622 nan 8.270 nan 0.000 0.433 71 T N 1.782 116.374 114.554 0.062 0.000 2.746 71 T HA -0.130 4.221 4.350 0.002 0.000 0.267 71 T C 1.227 175.958 174.700 0.051 0.000 1.039 71 T CA 1.461 63.584 62.100 0.038 0.000 1.142 71 T CB -0.191 68.689 68.868 0.021 0.000 0.866 71 T HN 0.209 nan 8.240 nan 0.000 0.444 72 D N 0.851 121.289 120.400 0.064 0.000 2.117 72 D HA -0.034 4.607 4.640 0.002 0.000 0.197 72 D C 1.996 178.366 176.300 0.117 0.000 0.987 72 D CA 0.554 54.597 54.000 0.072 0.000 0.829 72 D CB -0.430 40.401 40.800 0.051 0.000 0.961 72 D HN 0.167 nan 8.370 nan 0.000 0.460 73 L N 1.317 122.617 121.223 0.130 0.000 2.083 73 L HA -0.123 4.218 4.340 0.002 0.000 0.209 73 L C 1.944 179.002 176.870 0.314 0.000 1.083 73 L CA 1.608 56.582 54.840 0.223 0.000 0.752 73 L CB -0.387 41.772 42.059 0.167 0.000 0.899 73 L HN -0.024 nan 8.230 nan 0.000 0.433 74 E N -0.549 119.754 120.200 0.173 0.000 2.058 74 E HA -0.275 4.076 4.350 0.002 0.000 0.194 74 E C 2.115 178.696 176.600 -0.031 0.000 0.997 74 E CA 1.737 58.064 56.400 -0.122 0.000 0.801 74 E CB -0.113 29.433 29.700 -0.256 0.000 0.746 74 E HN 0.501 nan 8.360 nan 0.000 0.450 75 K N -0.070 120.348 120.400 0.030 0.000 2.057 75 K HA -0.182 4.139 4.320 0.002 0.000 0.206 75 K C 2.149 178.798 176.600 0.082 0.000 1.050 75 K CA 1.236 57.544 56.287 0.036 0.000 0.935 75 K CB -0.288 32.241 32.500 0.048 0.000 0.715 75 K HN 0.159 nan 8.250 nan 0.000 0.439 76 Y N 2.295 122.613 120.300 0.030 0.000 2.224 76 Y HA -0.163 4.388 4.550 0.002 0.000 0.289 76 Y C 1.389 177.318 175.900 0.048 0.000 1.146 76 Y CA 1.445 59.572 58.100 0.046 0.000 1.182 76 Y CB -0.034 38.469 38.460 0.073 0.000 0.983 76 Y HN 0.050 nan 8.280 nan 0.000 0.524 77 N N 0.846 119.603 118.700 0.094 0.000 2.398 77 N HA -0.071 4.670 4.740 0.002 0.000 0.188 77 N C -0.363 175.117 175.510 -0.051 0.000 1.122 77 N CA 0.737 53.799 53.050 0.020 0.000 0.866 77 N CB -0.551 38.055 38.487 0.198 0.000 0.970 77 N HN 0.420 nan 8.380 nan 0.000 0.462 78 N N -0.040 118.619 118.700 -0.069 0.000 2.740 78 N HA -0.151 4.590 4.740 0.002 0.000 0.248 78 N C -0.364 175.096 175.510 -0.084 0.000 1.062 78 N CA 0.473 53.477 53.050 -0.077 0.000 0.704 78 N CB -1.290 37.147 38.487 -0.085 0.000 0.968 78 N HN 0.119 nan 8.380 nan 0.000 0.547 79 V N -2.731 117.110 119.914 -0.121 0.000 3.096 79 V HA 0.445 4.566 4.120 0.002 0.000 0.319 79 V C 0.749 176.735 176.094 -0.180 0.000 1.082 79 V CA -0.889 61.310 62.300 -0.168 0.000 1.022 79 V CB 1.739 33.394 31.823 -0.279 0.000 1.103 79 V HN 0.046 nan 8.190 nan 0.000 0.455 80 E N 1.314 121.413 120.200 -0.167 0.000 2.413 80 E HA 0.353 4.704 4.350 0.002 0.000 0.263 80 E C 0.426 176.923 176.600 -0.171 0.000 1.015 80 E CA 0.246 56.562 56.400 -0.140 0.000 0.916 80 E CB 0.964 30.596 29.700 -0.113 0.000 0.947 80 E HN 1.057 nan 8.360 nan 0.000 0.440 81 A N 2.279 125.024 122.820 -0.124 0.000 2.546 81 A HA 0.321 4.642 4.320 0.002 0.000 0.243 81 A C 1.290 178.804 177.584 -0.116 0.000 1.063 81 A CA 0.771 52.739 52.037 -0.115 0.000 0.757 81 A CB -0.305 18.651 19.000 -0.072 0.000 0.991 81 A HN 0.849 nan 8.150 nan 0.000 0.503 82 G N 1.721 110.446 108.800 -0.124 0.000 2.217 82 G HA2 -0.311 3.650 3.960 0.002 0.000 0.246 82 G HA3 -0.311 3.650 3.960 0.002 0.000 0.246 82 G C 1.161 175.996 174.900 -0.109 0.000 0.990 82 G CA 0.900 45.944 45.100 -0.093 0.000 0.627 82 G HN 0.973 nan 8.290 nan 0.000 0.522 83 K N -0.614 119.668 120.400 -0.196 0.000 2.074 83 K HA -0.117 4.204 4.320 0.002 0.000 0.209 83 K C 2.031 178.611 176.600 -0.034 0.000 1.048 83 K CA 2.121 58.297 56.287 -0.185 0.000 0.926 83 K CB -0.225 32.078 32.500 -0.328 0.000 0.713 83 K HN 0.480 nan 8.250 nan 0.000 0.444 84 Y N 0.019 120.272 120.300 -0.078 0.000 2.343 84 Y HA -0.026 4.525 4.550 0.002 0.000 0.294 84 Y C 2.726 178.578 175.900 -0.081 0.000 1.122 84 Y CA 1.229 59.274 58.100 -0.092 0.000 1.173 84 Y CB -1.067 37.344 38.460 -0.081 0.000 1.077 84 Y HN 0.237 nan 8.280 nan 0.000 0.542 85 T N -2.846 111.753 114.554 0.074 0.000 2.904 85 T HA -0.028 4.323 4.350 0.002 0.000 0.267 85 T C 1.713 176.409 174.700 -0.006 0.000 1.059 85 T CA 1.455 63.563 62.100 0.013 0.000 1.137 85 T CB -0.789 68.073 68.868 -0.010 0.000 0.879 85 T HN 0.082 nan 8.240 nan 0.000 0.467 86 V N 0.852 120.760 119.914 -0.011 0.000 2.806 86 V HA 0.342 4.463 4.120 0.002 0.000 0.239 86 V C 3.014 179.100 176.094 -0.014 0.000 1.113 86 V CA 0.845 63.134 62.300 -0.019 0.000 1.137 86 V CB -0.950 30.855 31.823 -0.031 0.000 0.865 86 V HN 0.544 nan 8.190 nan 0.000 0.482 87 G N 0.370 109.160 108.800 -0.016 0.000 2.421 87 G HA2 -0.178 3.783 3.960 0.002 0.000 0.216 87 G HA3 -0.178 3.783 3.960 0.002 0.000 0.216 87 G C 1.483 176.381 174.900 -0.004 0.000 1.171 87 G CA 1.057 46.146 45.100 -0.019 0.000 0.775 87 G HN 0.443 nan 8.290 nan 0.000 0.543 88 L N -0.154 121.069 121.223 0.000 0.000 2.416 88 L HA 0.294 4.635 4.340 0.002 0.000 0.216 88 L C 2.005 178.952 176.870 0.127 0.000 1.098 88 L CA 0.463 55.308 54.840 0.008 0.000 0.840 88 L CB 0.034 42.004 42.059 -0.149 0.000 0.981 88 L HN 0.401 nan 8.230 nan 0.000 0.462 89 G N 0.243 109.073 108.800 0.049 0.000 2.160 89 G HA2 -0.206 3.755 3.960 0.002 0.000 0.244 89 G HA3 -0.206 3.755 3.960 0.002 0.000 0.244 89 G C 0.024 174.911 174.900 -0.021 0.000 1.022 89 G CA -0.186 44.925 45.100 0.019 0.000 0.741 89 G HN 0.265 nan 8.290 nan 0.000 0.508 90 Q N -0.634 119.150 119.800 -0.028 0.000 2.274 90 Q HA 0.676 5.017 4.340 0.002 0.000 0.260 90 Q C 0.950 176.875 176.000 -0.126 0.000 0.974 90 Q CA 0.055 55.807 55.803 -0.086 0.000 0.876 90 Q CB 1.744 30.442 28.738 -0.066 0.000 1.297 90 Q HN 0.222 nan 8.270 nan 0.000 0.446 91 T N 0.948 115.358 114.554 -0.241 0.000 3.087 91 T HA 0.265 4.616 4.350 0.002 0.000 0.237 91 T C 0.168 174.742 174.700 -0.209 0.000 0.990 91 T CA 0.340 62.282 62.100 -0.264 0.000 1.160 91 T CB 0.625 69.192 68.868 -0.501 0.000 0.923 91 T HN 0.289 nan 8.240 nan 0.000 0.442 92 R N 0.085 120.427 120.500 -0.263 0.000 2.698 92 R HA 0.643 4.984 4.340 0.002 0.000 0.275 92 R C -1.460 174.763 176.300 -0.128 0.000 1.001 92 R CA -0.524 55.462 56.100 -0.189 0.000 0.896 92 R CB 2.432 32.474 30.300 -0.429 0.000 1.218 92 R HN 0.148 nan 8.270 nan 0.000 0.462 93 M N 1.412 120.996 119.600 -0.027 0.000 2.190 93 M HA 0.444 4.925 4.480 0.002 0.000 0.312 93 M C -0.393 175.999 176.300 0.153 0.000 0.990 93 M CA -0.394 54.908 55.300 0.003 0.000 0.927 93 M CB 1.781 34.337 32.600 -0.073 0.000 1.571 93 M HN 0.794 nan 8.290 nan 0.000 0.427 94 G N 4.163 113.042 108.800 0.132 0.000 2.503 94 G HA2 0.539 4.500 3.960 0.002 0.000 0.257 94 G HA3 0.539 4.500 3.960 0.002 0.000 0.257 94 G C -1.129 173.942 174.900 0.285 0.000 1.214 94 G CA -0.408 44.789 45.100 0.162 0.000 0.839 94 G HN 0.811 nan 8.290 nan 0.000 0.559 95 F N -1.005 119.023 119.950 0.131 0.000 2.668 95 F HA 0.656 5.184 4.527 0.002 0.000 0.309 95 F C -0.898 174.990 175.800 0.147 0.000 1.117 95 F CA -1.786 56.317 58.000 0.172 0.000 0.951 95 F CB 0.706 39.892 39.000 0.310 0.000 1.323 95 F HN 0.516 nan 8.300 nan 0.000 0.451 96 C N 1.910 121.372 119.300 0.270 0.000 2.456 96 C HA 0.789 5.250 4.460 0.002 0.000 0.325 96 C C 0.485 175.613 174.990 0.230 0.000 1.217 96 C CA -0.307 58.800 59.018 0.149 0.000 1.687 96 C CB 1.281 29.113 27.740 0.152 0.000 2.270 96 C HN 1.043 nan 8.230 nan 0.000 0.499 97 S N 1.305 117.092 115.700 0.146 0.000 2.641 97 S HA 0.257 4.728 4.470 0.002 0.000 0.261 97 S C 1.172 175.818 174.600 0.078 0.000 1.257 97 S CA 0.044 58.318 58.200 0.124 0.000 0.983 97 S CB 0.392 63.632 63.200 0.066 0.000 0.990 97 S HN 1.252 nan 8.310 nan 0.000 0.572 98 V N -1.437 118.495 119.914 0.029 0.000 3.241 98 V HA -0.080 4.041 4.120 0.002 0.000 0.269 98 V C 2.200 178.316 176.094 0.035 0.000 1.151 98 V CA 1.645 63.957 62.300 0.019 0.000 1.158 98 V CB -1.629 30.165 31.823 -0.048 0.000 0.764 98 V HN 0.883 nan 8.190 nan 0.000 0.508 99 Q N 0.549 120.367 119.800 0.031 0.000 2.364 99 Q HA 0.011 4.352 4.340 0.002 0.000 0.207 99 Q C 0.400 176.492 176.000 0.154 0.000 0.970 99 Q CA 0.848 56.693 55.803 0.070 0.000 0.888 99 Q CB 0.196 28.946 28.738 0.020 0.000 0.951 99 Q HN 0.824 nan 8.270 nan 0.000 0.469 100 E N 0.765 121.048 120.200 0.139 0.000 2.238 100 E HA 0.192 4.543 4.350 0.002 0.000 0.267 100 E C -1.229 175.460 176.600 0.148 0.000 0.887 100 E CA -0.556 55.949 56.400 0.175 0.000 0.769 100 E CB 1.574 31.381 29.700 0.180 0.000 1.187 100 E HN 0.139 nan 8.360 nan 0.000 0.416 101 D N 0.853 121.347 120.400 0.158 0.000 2.744 101 D HA 0.106 4.747 4.640 0.002 0.000 0.304 101 D C 0.477 176.823 176.300 0.075 0.000 1.179 101 D CA -0.758 53.311 54.000 0.114 0.000 1.024 101 D CB 0.333 41.212 40.800 0.133 0.000 1.453 101 D HN 0.366 nan 8.370 nan 0.000 0.529 102 I N 0.493 121.093 120.570 0.050 0.000 2.286 102 I HA -0.189 3.982 4.170 0.002 0.000 0.248 102 I C 1.239 177.325 176.117 -0.051 0.000 1.115 102 I CA 1.575 62.889 61.300 0.025 0.000 1.392 102 I CB -0.671 37.349 38.000 0.034 0.000 1.065 102 I HN 0.317 nan 8.210 nan 0.000 0.418 103 N N 0.382 119.019 118.700 -0.105 0.000 2.084 103 N HA -0.170 4.571 4.740 0.002 0.000 0.190 103 N C 2.121 177.367 175.510 -0.439 0.000 1.030 103 N CA 1.853 54.715 53.050 -0.313 0.000 0.849 103 N CB -0.687 37.510 38.487 -0.483 0.000 1.012 103 N HN 0.584 nan 8.380 nan 0.000 0.423 104 S N 0.565 116.061 115.700 -0.341 0.000 2.383 104 S HA -0.025 4.446 4.470 0.002 0.000 0.227 104 S C 2.053 176.569 174.600 -0.140 0.000 1.026 104 S CA 0.489 58.559 58.200 -0.216 0.000 0.981 104 S CB -0.475 62.785 63.200 0.100 0.000 0.818 104 S HN 0.033 nan 8.310 nan 0.000 0.472 105 L N 1.561 122.738 121.223 -0.076 0.000 2.012 105 L HA -0.040 4.301 4.340 0.002 0.000 0.210 105 L C 2.903 179.706 176.870 -0.112 0.000 1.073 105 L CA 1.300 56.105 54.840 -0.059 0.000 0.748 105 L CB -1.177 40.945 42.059 0.105 0.000 0.891 105 L HN 0.468 nan 8.230 nan 0.000 0.431 106 C N -1.374 117.854 119.300 -0.118 0.000 2.466 106 C HA -0.075 4.386 4.460 0.002 0.000 0.278 106 C C 2.742 177.618 174.990 -0.190 0.000 1.288 106 C CA 0.060 59.006 59.018 -0.121 0.000 1.722 106 C CB -0.826 26.846 27.740 -0.115 0.000 2.017 106 C HN 0.456 nan 8.230 nan 0.000 0.488 107 L N 0.597 121.622 121.223 -0.330 0.000 2.042 107 L HA -0.205 4.136 4.340 0.002 0.000 0.210 107 L C 2.712 179.430 176.870 -0.254 0.000 1.076 107 L CA 1.888 56.423 54.840 -0.509 0.000 0.749 107 L CB -1.099 40.308 42.059 -1.087 0.000 0.893 107 L HN 0.376 nan 8.230 nan 0.000 0.432 108 T N -1.044 113.439 114.554 -0.118 0.000 2.674 108 T HA -0.213 4.138 4.350 0.002 0.000 0.265 108 T C 1.865 176.524 174.700 -0.068 0.000 1.039 108 T CA 1.607 63.695 62.100 -0.021 0.000 1.150 108 T CB -0.328 68.296 68.868 -0.407 0.000 0.864 108 T HN 0.144 nan 8.240 nan 0.000 0.427 109 V N 1.099 120.955 119.914 -0.096 0.000 2.453 109 V HA -0.103 4.018 4.120 0.002 0.000 0.247 109 V C 2.448 178.536 176.094 -0.010 0.000 1.048 109 V CA 1.303 63.595 62.300 -0.013 0.000 1.049 109 V CB -0.349 31.503 31.823 0.049 0.000 0.672 109 V HN 0.332 nan 8.190 nan 0.000 0.457 110 V N -0.221 119.677 119.914 -0.026 0.000 2.307 110 V HA -0.294 3.827 4.120 0.002 0.000 0.245 110 V C 2.364 178.455 176.094 -0.006 0.000 1.045 110 V CA 2.516 64.811 62.300 -0.008 0.000 1.024 110 V CB -0.668 31.156 31.823 0.002 0.000 0.651 110 V HN 0.649 nan 8.190 nan 0.000 0.449 111 Q N -0.052 119.753 119.800 0.009 0.000 2.119 111 Q HA -0.220 4.121 4.340 0.002 0.000 0.201 111 Q C 2.455 178.468 176.000 0.021 0.000 0.972 111 Q CA 1.637 57.466 55.803 0.043 0.000 0.847 111 Q CB -0.111 28.744 28.738 0.195 0.000 0.903 111 Q HN 0.548 nan 8.270 nan 0.000 0.433 112 R N -0.014 120.498 120.500 0.020 0.000 2.073 112 R HA -0.184 4.157 4.340 0.002 0.000 0.234 112 R C 2.275 178.560 176.300 -0.026 0.000 1.134 112 R CA 1.403 57.500 56.100 -0.005 0.000 0.952 112 R CB -0.364 29.933 30.300 -0.005 0.000 0.850 112 R HN 0.356 nan 8.270 nan 0.000 0.433 113 L N 0.851 122.058 121.223 -0.026 0.000 2.012 113 L HA -0.192 4.149 4.340 0.002 0.000 0.210 113 L C 2.172 179.004 176.870 -0.062 0.000 1.073 113 L CA 1.861 56.677 54.840 -0.040 0.000 0.748 113 L CB -0.437 41.603 42.059 -0.032 0.000 0.891 113 L HN 0.238 nan 8.230 nan 0.000 0.431 114 M N -0.750 118.809 119.600 -0.069 0.000 2.117 114 M HA -0.208 4.273 4.480 0.002 0.000 0.262 114 M C 2.206 178.425 176.300 -0.134 0.000 1.065 114 M CA 1.702 56.931 55.300 -0.118 0.000 1.114 114 M CB -1.249 31.256 32.600 -0.158 0.000 1.361 114 M HN 0.391 nan 8.290 nan 0.000 0.408 115 E N -0.272 119.869 120.200 -0.098 0.000 2.072 115 E HA -0.178 4.173 4.350 0.002 0.000 0.191 115 E C 2.202 178.754 176.600 -0.079 0.000 0.985 115 E CA 0.889 57.235 56.400 -0.089 0.000 0.801 115 E CB -0.140 29.528 29.700 -0.053 0.000 0.750 115 E HN 0.401 nan 8.360 nan 0.000 0.452 116 R N 1.271 121.731 120.500 -0.067 0.000 2.081 116 R HA -0.112 4.229 4.340 0.002 0.000 0.235 116 R C 2.255 178.515 176.300 -0.066 0.000 1.131 116 R CA 1.591 57.655 56.100 -0.060 0.000 0.960 116 R CB -0.198 30.070 30.300 -0.053 0.000 0.856 116 R HN 0.304 nan 8.270 nan 0.000 0.436 117 I N -1.736 118.787 120.570 -0.078 0.000 3.875 117 I HA 0.160 4.331 4.170 0.002 0.000 0.329 117 I C -0.444 175.619 176.117 -0.089 0.000 1.295 117 I CA -0.112 61.141 61.300 -0.079 0.000 1.129 117 I CB 0.168 38.113 38.000 -0.091 0.000 1.008 117 I HN 0.158 nan 8.210 nan 0.000 0.413 118 Q N 1.526 121.260 119.800 -0.110 0.000 2.452 118 Q HA -0.176 4.165 4.340 0.002 0.000 0.318 118 Q C -0.345 175.558 176.000 -0.162 0.000 1.386 118 Q CA 0.315 56.033 55.803 -0.141 0.000 0.872 118 Q CB -1.550 27.126 28.738 -0.103 0.000 1.151 118 Q HN 0.548 nan 8.270 nan 0.000 0.417 119 L N 1.368 122.482 121.223 -0.182 0.000 2.361 119 L HA 0.291 4.632 4.340 0.002 0.000 0.278 119 L C -2.015 174.702 176.870 -0.254 0.000 1.113 119 L CA -1.274 53.480 54.840 -0.143 0.000 0.849 119 L CB 0.649 42.644 42.059 -0.107 0.000 1.155 119 L HN -0.084 nan 8.230 nan 0.000 0.452 120 P HA -0.012 nan 4.420 nan 0.000 0.271 120 P C 0.201 177.464 177.300 -0.061 0.000 1.216 120 P CA -0.123 62.865 63.100 -0.187 0.000 0.776 120 P CB 0.338 32.041 31.700 0.005 0.000 0.881 121 W N 1.916 123.261 121.300 0.075 0.000 2.350 121 W HA -0.142 4.519 4.660 0.001 0.000 0.289 121 W C 1.212 177.885 176.519 0.257 0.000 1.215 121 W CA 1.835 59.264 57.345 0.141 0.000 1.236 121 W CB -1.035 28.456 29.460 0.052 0.000 1.130 121 W HN 0.463 nan 8.180 nan 0.000 0.541 122 D N -0.371 120.264 120.400 0.391 0.000 2.349 122 D HA -0.098 4.543 4.640 0.002 0.000 0.224 122 D C 1.490 177.908 176.300 0.198 0.000 1.029 122 D CA 0.994 55.153 54.000 0.265 0.000 0.879 122 D CB -0.764 40.152 40.800 0.194 0.000 0.906 122 D HN 0.046 nan 8.370 nan 0.000 0.528 123 S N -0.869 114.970 115.700 0.232 0.000 2.556 123 S HA 0.175 4.646 4.470 0.002 0.000 0.216 123 S C 0.518 175.285 174.600 0.277 0.000 0.970 123 S CA -0.527 57.798 58.200 0.209 0.000 0.912 123 S CB 0.003 63.375 63.200 0.287 0.000 0.790 123 S HN 0.028 nan 8.310 nan 0.000 0.504 124 V N 1.897 121.974 119.914 0.273 0.000 2.347 124 V HA 0.661 4.782 4.120 0.002 0.000 0.280 124 V C 1.174 177.312 176.094 0.073 0.000 1.021 124 V CA -0.101 62.323 62.300 0.208 0.000 0.847 124 V CB 1.073 32.988 31.823 0.153 0.000 0.990 124 V HN 0.434 nan 8.190 nan 0.000 0.444 125 G N 4.544 113.413 108.800 0.114 0.000 2.939 125 G HA2 0.182 4.143 3.960 0.002 0.000 0.216 125 G HA3 0.182 4.143 3.960 0.002 0.000 0.216 125 G C 0.522 175.200 174.900 -0.370 0.000 1.125 125 G CA -0.122 45.017 45.100 0.065 0.000 0.766 125 G HN 0.512 nan 8.290 nan 0.000 0.541 126 R N -0.521 119.648 120.500 -0.552 0.000 2.584 126 R HA 0.619 4.960 4.340 0.002 0.000 0.276 126 R C -2.398 173.653 176.300 -0.415 0.000 1.046 126 R CA -0.733 54.922 56.100 -0.742 0.000 0.906 126 R CB 1.899 31.359 30.300 -1.400 0.000 1.215 126 R HN 0.081 nan 8.270 nan 0.000 0.449 127 L N 2.521 123.529 121.223 -0.359 0.000 2.516 127 L HA 0.537 4.878 4.340 0.002 0.000 0.267 127 L C -1.788 174.952 176.870 -0.217 0.000 0.957 127 L CA -0.035 54.648 54.840 -0.262 0.000 0.860 127 L CB 2.034 43.901 42.059 -0.319 0.000 1.265 127 L HN 0.832 nan 8.230 nan 0.000 0.403 128 E N 3.349 123.448 120.200 -0.169 0.000 2.321 128 E HA 0.683 5.034 4.350 0.002 0.000 0.278 128 E C -1.949 174.581 176.600 -0.116 0.000 0.902 128 E CA -0.745 55.569 56.400 -0.143 0.000 0.758 128 E CB 2.330 31.941 29.700 -0.148 0.000 1.213 128 E HN 0.449 nan 8.360 nan 0.000 0.426 129 V N 2.909 122.764 119.914 -0.097 0.000 2.398 129 V HA 0.662 4.783 4.120 0.002 0.000 0.286 129 V C 0.435 176.488 176.094 -0.068 0.000 1.026 129 V CA -0.315 61.938 62.300 -0.078 0.000 0.868 129 V CB 1.531 33.315 31.823 -0.064 0.000 0.982 129 V HN 0.734 nan 8.190 nan 0.000 0.443 130 G N 2.118 110.877 108.800 -0.069 0.000 2.335 130 G HA2 0.623 4.584 3.960 0.002 0.000 0.316 130 G HA3 0.623 4.584 3.960 0.002 0.000 0.316 130 G C -0.498 174.397 174.900 -0.009 0.000 1.129 130 G CA -0.258 44.809 45.100 -0.056 0.000 0.899 130 G HN 0.751 nan 8.290 nan 0.000 0.448 131 T N -0.086 114.475 114.554 0.013 0.000 2.786 131 T HA 0.431 4.782 4.350 0.002 0.000 0.316 131 T C -0.244 174.495 174.700 0.066 0.000 1.503 131 T CA -0.328 61.805 62.100 0.056 0.000 1.019 131 T CB 1.610 70.511 68.868 0.054 0.000 1.415 131 T HN 0.682 nan 8.240 nan 0.000 0.496 132 E N 0.292 120.559 120.200 0.111 0.000 2.758 132 E HA 0.280 4.631 4.350 0.002 0.000 0.215 132 E C -0.578 176.115 176.600 0.156 0.000 0.985 132 E CA -0.487 55.981 56.400 0.113 0.000 1.102 132 E CB 0.551 30.300 29.700 0.083 0.000 1.042 132 E HN 0.345 nan 8.360 nan 0.000 0.480 133 T N 2.653 117.297 114.554 0.149 0.000 2.832 133 T HA 0.323 4.674 4.350 0.002 0.000 0.313 133 T C -0.374 174.382 174.700 0.094 0.000 1.035 133 T CA -0.472 61.712 62.100 0.140 0.000 0.950 133 T CB 0.338 69.288 68.868 0.136 0.000 0.984 133 T HN 0.154 nan 8.240 nan 0.000 0.486 134 I N 5.448 126.077 120.570 0.099 0.000 2.330 134 I HA 0.340 4.511 4.170 0.002 0.000 0.289 134 I C 1.131 177.298 176.117 0.084 0.000 1.001 134 I CA -0.825 60.525 61.300 0.082 0.000 1.193 134 I CB 1.059 39.112 38.000 0.088 0.000 1.345 134 I HN 0.679 nan 8.210 nan 0.000 0.461 135 I N 0.486 121.090 120.570 0.056 0.000 4.154 135 I HA 0.443 4.614 4.170 0.002 0.000 0.334 135 I C -0.028 176.111 176.117 0.036 0.000 1.371 135 I CA 0.107 61.437 61.300 0.051 0.000 1.110 135 I CB 0.810 38.827 38.000 0.028 0.000 1.085 135 I HN 0.346 nan 8.210 nan 0.000 0.398 136 D N 1.771 122.189 120.400 0.029 0.000 2.977 136 D HA 0.216 4.857 4.640 0.002 0.000 0.220 136 D C -0.050 176.260 176.300 0.017 0.000 1.267 136 D CA -0.337 53.667 54.000 0.007 0.000 0.884 136 D CB 2.296 43.096 40.800 -0.001 0.000 1.667 136 D HN 0.020 nan 8.370 nan 0.000 0.536 137 K N 0.479 120.889 120.400 0.015 0.000 2.432 137 K HA -0.011 4.310 4.320 0.002 0.000 0.196 137 K C 1.591 178.198 176.600 0.012 0.000 1.038 137 K CA 0.766 57.065 56.287 0.021 0.000 0.986 137 K CB 0.359 32.874 32.500 0.024 0.000 0.782 137 K HN 0.351 nan 8.250 nan 0.000 0.485 138 S N -0.160 115.544 115.700 0.005 0.000 2.741 138 S HA 0.061 4.532 4.470 0.002 0.000 0.245 138 S C 0.608 175.206 174.600 -0.003 0.000 1.083 138 S CA -0.406 57.795 58.200 0.001 0.000 0.873 138 S CB 0.155 63.356 63.200 0.001 0.000 0.814 138 S HN 0.015 nan 8.310 nan 0.000 0.476 139 K N 2.406 122.804 120.400 -0.003 0.000 2.285 139 K HA 0.620 4.941 4.320 0.002 0.000 0.286 139 K C -0.165 176.428 176.600 -0.011 0.000 1.072 139 K CA -0.305 55.978 56.287 -0.007 0.000 0.913 139 K CB 0.745 33.243 32.500 -0.003 0.000 1.067 139 K HN 0.402 nan 8.250 nan 0.000 0.479 140 A N 3.579 126.386 122.820 -0.021 0.000 2.407 140 A HA 0.111 4.432 4.320 0.002 0.000 0.248 140 A C 1.328 178.888 177.584 -0.040 0.000 1.082 140 A CA -0.556 51.464 52.037 -0.029 0.000 0.785 140 A CB 0.747 19.724 19.000 -0.039 0.000 1.020 140 A HN 0.687 nan 8.150 nan 0.000 0.489 141 V N 2.239 122.126 119.914 -0.045 0.000 2.380 141 V HA -0.277 3.844 4.120 0.002 0.000 0.251 141 V C 2.617 178.660 176.094 -0.086 0.000 1.063 141 V CA 2.627 64.885 62.300 -0.069 0.000 1.055 141 V CB -0.915 30.868 31.823 -0.067 0.000 0.657 141 V HN 1.085 nan 8.190 nan 0.000 0.455 142 K N 1.528 121.881 120.400 -0.079 0.000 2.089 142 K HA -0.257 4.064 4.320 0.002 0.000 0.210 142 K C 2.107 178.656 176.600 -0.084 0.000 1.048 142 K CA 2.611 58.844 56.287 -0.091 0.000 0.926 142 K CB -1.013 31.428 32.500 -0.098 0.000 0.714 142 K HN 0.674 nan 8.250 nan 0.000 0.448 143 T N -2.236 112.277 114.554 -0.069 0.000 2.821 143 T HA -0.071 4.280 4.350 0.002 0.000 0.267 143 T C 1.934 176.597 174.700 -0.060 0.000 1.046 143 T CA 1.331 63.397 62.100 -0.057 0.000 1.139 143 T CB -0.674 68.169 68.868 -0.041 0.000 0.871 143 T HN -0.023 nan 8.240 nan 0.000 0.454 144 V N 1.767 121.633 119.914 -0.080 0.000 2.427 144 V HA -0.002 4.119 4.120 0.002 0.000 0.248 144 V C 2.739 178.737 176.094 -0.160 0.000 1.051 144 V CA 1.269 63.499 62.300 -0.117 0.000 1.048 144 V CB -0.792 30.937 31.823 -0.157 0.000 0.666 144 V HN 0.469 nan 8.190 nan 0.000 0.456 145 L N -0.788 120.352 121.223 -0.138 0.000 2.265 145 L HA -0.156 4.185 4.340 0.002 0.000 0.215 145 L C 2.475 179.365 176.870 0.033 0.000 1.117 145 L CA 0.863 55.644 54.840 -0.098 0.000 0.782 145 L CB -0.487 41.539 42.059 -0.055 0.000 0.914 145 L HN 0.317 nan 8.230 nan 0.000 0.441 146 M N -0.764 118.845 119.600 0.016 0.000 2.446 146 M HA -0.143 4.338 4.480 0.002 0.000 0.263 146 M C 1.991 178.332 176.300 0.068 0.000 1.066 146 M CA 1.127 56.478 55.300 0.086 0.000 1.087 146 M CB -0.862 31.745 32.600 0.011 0.000 1.406 146 M HN 0.200 nan 8.290 nan 0.000 0.459 147 E N 0.525 120.708 120.200 -0.028 0.000 2.219 147 E HA -0.160 4.191 4.350 0.002 0.000 0.198 147 E C 2.029 178.590 176.600 -0.065 0.000 0.998 147 E CA 1.113 57.471 56.400 -0.071 0.000 0.818 147 E CB -0.325 29.275 29.700 -0.167 0.000 0.741 147 E HN 0.546 nan 8.360 nan 0.000 0.477 148 L N -1.284 119.910 121.223 -0.048 0.000 2.418 148 L HA 0.012 4.353 4.340 0.002 0.000 0.218 148 L C 1.655 178.375 176.870 -0.249 0.000 1.125 148 L CA 0.403 55.165 54.840 -0.130 0.000 0.835 148 L CB -0.069 41.868 42.059 -0.203 0.000 0.953 148 L HN 0.027 nan 8.230 nan 0.000 0.454 149 F N -0.726 119.220 119.950 -0.006 0.000 2.667 149 F HA 0.003 4.530 4.527 0.001 0.000 0.288 149 F C 2.560 178.289 175.800 -0.119 0.000 1.086 149 F CA -0.059 57.936 58.000 -0.008 0.000 1.297 149 F CB 0.076 39.102 39.000 0.043 0.000 1.059 149 F HN -0.017 nan 8.300 nan 0.000 0.624 150 Q N 0.363 120.207 119.800 0.073 0.000 2.119 150 Q HA -0.153 4.188 4.340 0.002 0.000 0.201 150 Q C 0.812 176.767 176.000 -0.076 0.000 0.972 150 Q CA 1.872 57.679 55.803 0.007 0.000 0.847 150 Q CB -0.475 28.265 28.738 0.002 0.000 0.903 150 Q HN 0.197 nan 8.270 nan 0.000 0.433 151 D N 1.623 121.941 120.400 -0.138 0.000 2.218 151 D HA -0.116 4.525 4.640 0.002 0.000 0.204 151 D C 2.026 178.175 176.300 -0.251 0.000 0.976 151 D CA 1.624 55.519 54.000 -0.175 0.000 0.853 151 D CB -0.076 40.613 40.800 -0.184 0.000 0.939 151 D HN 0.487 nan 8.370 nan 0.000 0.481 152 S N -1.020 114.450 115.700 -0.384 0.000 2.561 152 S HA 0.178 4.649 4.470 0.002 0.000 0.225 152 S C 1.738 176.235 174.600 -0.173 0.000 0.977 152 S CA 0.792 58.724 58.200 -0.445 0.000 0.926 152 S CB 0.222 62.916 63.200 -0.843 0.000 0.769 152 S HN 0.304 nan 8.310 nan 0.000 0.533 153 G N 0.954 109.695 108.800 -0.099 0.000 2.141 153 G HA2 -0.223 3.738 3.960 0.002 0.000 0.231 153 G HA3 -0.223 3.738 3.960 0.002 0.000 0.231 153 G C -0.348 174.563 174.900 0.018 0.000 0.984 153 G CA -0.134 44.946 45.100 -0.033 0.000 0.660 153 G HN 0.607 nan 8.290 nan 0.000 0.525 154 N N 1.094 119.830 118.700 0.060 0.000 2.801 154 N HA 0.480 5.221 4.740 0.002 0.000 0.235 154 N C 0.983 176.541 175.510 0.079 0.000 1.069 154 N CA 0.284 53.402 53.050 0.113 0.000 0.946 154 N CB 1.093 39.724 38.487 0.241 0.000 1.212 154 N HN 0.334 nan 8.380 nan 0.000 0.509 155 T N -3.532 111.036 114.554 0.023 0.000 3.040 155 T HA 0.058 4.409 4.350 0.002 0.000 0.266 155 T C 0.424 175.101 174.700 -0.039 0.000 1.005 155 T CA -0.331 61.762 62.100 -0.013 0.000 0.906 155 T CB 0.070 68.932 68.868 -0.010 0.000 1.082 155 T HN 0.103 nan 8.240 nan 0.000 0.531 156 D N 1.946 122.331 120.400 -0.026 0.000 2.713 156 D HA 0.267 4.908 4.640 0.002 0.000 0.229 156 D C -0.565 175.700 176.300 -0.059 0.000 1.136 156 D CA -0.568 53.415 54.000 -0.028 0.000 1.010 156 D CB -0.759 40.041 40.800 0.000 0.000 1.084 156 D HN 0.532 nan 8.370 nan 0.000 0.495 157 I N 1.787 122.286 120.570 -0.118 0.000 2.448 157 I HA 0.219 4.390 4.170 0.002 0.000 0.281 157 I C 0.509 176.491 176.117 -0.224 0.000 1.027 157 I CA -0.965 60.213 61.300 -0.203 0.000 1.111 157 I CB 1.660 39.471 38.000 -0.314 0.000 1.236 157 I HN 0.106 nan 8.210 nan 0.000 0.452 158 E N 4.507 124.545 120.200 -0.269 0.000 2.409 158 E HA 0.492 4.843 4.350 0.002 0.000 0.257 158 E C 0.234 176.649 176.600 -0.309 0.000 1.150 158 E CA 0.423 56.660 56.400 -0.272 0.000 0.942 158 E CB 0.913 30.411 29.700 -0.337 0.000 0.979 158 E HN 0.854 nan 8.360 nan 0.000 0.447 159 G N 1.190 109.856 108.800 -0.224 0.000 2.617 159 G HA2 -0.029 3.932 3.960 0.002 0.000 0.686 159 G HA3 -0.029 3.932 3.960 0.002 0.000 0.686 159 G C -0.370 174.443 174.900 -0.145 0.000 1.214 159 G CA -0.318 44.664 45.100 -0.197 0.000 0.796 159 G HN 0.688 nan 8.290 nan 0.000 0.654 160 I N -2.693 117.809 120.570 -0.113 0.000 4.192 160 I HA 0.832 5.003 4.170 0.002 0.000 0.170 160 I C -0.740 175.329 176.117 -0.080 0.000 0.593 160 I CA -0.924 60.323 61.300 -0.089 0.000 2.365 160 I CB 0.707 38.668 38.000 -0.065 0.000 1.194 160 I HN 0.374 nan 8.210 nan 0.000 0.418 161 D N 0.569 120.934 120.400 -0.058 0.000 2.299 161 D HA 0.644 5.285 4.640 0.002 0.000 0.243 161 D C -1.001 175.275 176.300 -0.040 0.000 0.982 161 D CA -0.018 53.953 54.000 -0.049 0.000 0.924 161 D CB 2.172 42.952 40.800 -0.033 0.000 1.238 161 D HN 0.519 nan 8.370 nan 0.000 0.484 162 T N -0.117 114.415 114.554 -0.038 0.000 2.971 162 T HA 0.572 4.923 4.350 0.002 0.000 0.304 162 T C -1.433 173.258 174.700 -0.015 0.000 1.038 162 T CA -0.372 61.712 62.100 -0.027 0.000 1.007 162 T CB 0.897 69.742 68.868 -0.037 0.000 1.055 162 T HN 0.182 nan 8.240 nan 0.000 0.451 163 T N 4.683 119.239 114.554 0.003 0.000 2.928 163 T HA 0.605 4.956 4.350 0.002 0.000 0.296 163 T C -1.077 173.635 174.700 0.021 0.000 1.000 163 T CA -0.742 61.366 62.100 0.014 0.000 0.989 163 T CB 1.031 69.912 68.868 0.022 0.000 1.005 163 T HN 0.652 nan 8.240 nan 0.000 0.442 164 N N 1.770 120.484 118.700 0.024 0.000 2.699 164 N HA 0.525 5.266 4.740 0.002 0.000 0.271 164 N C 0.227 175.713 175.510 -0.039 0.000 1.216 164 N CA 0.466 53.512 53.050 -0.007 0.000 0.844 164 N CB 0.637 39.100 38.487 -0.039 0.000 1.462 164 N HN 0.940 nan 8.380 nan 0.000 0.555 165 A N 1.212 124.006 122.820 -0.043 0.000 5.481 165 A HA -0.345 3.976 4.320 0.002 0.000 0.318 165 A C 1.387 178.860 177.584 -0.185 0.000 1.837 165 A CA 1.308 53.263 52.037 -0.137 0.000 0.717 165 A CB -1.678 17.191 19.000 -0.218 0.000 1.349 165 A HN 0.838 nan 8.150 nan 0.000 0.388 166 C N -1.804 117.313 119.300 -0.305 0.000 2.573 166 C HA 0.323 4.784 4.460 0.002 0.000 0.273 166 C C 1.790 176.683 174.990 -0.163 0.000 1.346 166 C CA 1.103 59.967 59.018 -0.257 0.000 1.702 166 C CB -2.032 25.396 27.740 -0.520 0.000 1.751 166 C HN 0.620 nan 8.230 nan 0.000 0.583 167 Y N 1.194 121.337 120.300 -0.261 0.000 2.497 167 Y HA 0.235 4.787 4.550 0.002 0.000 0.265 167 Y C 2.150 177.956 175.900 -0.158 0.000 1.111 167 Y CA 0.890 58.851 58.100 -0.232 0.000 1.288 167 Y CB -0.342 37.952 38.460 -0.276 0.000 1.082 167 Y HN 0.231 nan 8.280 nan 0.000 0.536 168 G N 0.071 108.813 108.800 -0.098 0.000 2.450 168 G HA2 -0.276 3.685 3.960 0.002 0.000 0.220 168 G HA3 -0.276 3.685 3.960 0.002 0.000 0.220 168 G C 1.849 176.622 174.900 -0.212 0.000 1.130 168 G CA 0.845 45.868 45.100 -0.129 0.000 0.760 168 G HN 0.558 nan 8.290 nan 0.000 0.557 169 G N 0.307 109.009 108.800 -0.163 0.000 2.421 169 G HA2 -0.166 3.795 3.960 0.002 0.000 0.216 169 G HA3 -0.166 3.795 3.960 0.002 0.000 0.216 169 G C 1.841 176.542 174.900 -0.332 0.000 1.171 169 G CA 1.710 46.706 45.100 -0.173 0.000 0.775 169 G HN 0.370 nan 8.290 nan 0.000 0.543 170 T N 1.759 116.075 114.554 -0.396 0.000 2.746 170 T HA -0.011 4.340 4.350 0.002 0.000 0.267 170 T C 2.811 176.881 174.700 -1.051 0.000 1.039 170 T CA 1.549 63.186 62.100 -0.771 0.000 1.142 170 T CB -0.414 67.864 68.868 -0.984 0.000 0.866 170 T HN 0.383 nan 8.240 nan 0.000 0.444 171 A N 1.113 123.385 122.820 -0.914 0.000 1.908 171 A HA -0.142 4.179 4.320 0.002 0.000 0.218 171 A C 2.578 179.999 177.584 -0.271 0.000 1.181 171 A CA 2.262 54.010 52.037 -0.482 0.000 0.627 171 A CB -1.134 17.731 19.000 -0.225 0.000 0.818 171 A HN 0.468 nan 8.150 nan 0.000 0.445 172 S N -0.950 114.589 115.700 -0.267 0.000 2.368 172 S HA -0.133 4.338 4.470 0.002 0.000 0.224 172 S C 1.932 176.434 174.600 -0.164 0.000 1.029 172 S CA 1.464 59.556 58.200 -0.180 0.000 0.988 172 S CB -0.467 62.627 63.200 -0.178 0.000 0.838 172 S HN 0.493 nan 8.310 nan 0.000 0.462 173 L N 0.996 122.067 121.223 -0.254 0.000 2.017 173 L HA 0.032 4.373 4.340 0.002 0.000 0.208 173 L C 1.958 178.838 176.870 0.016 0.000 1.073 173 L CA 1.988 56.728 54.840 -0.165 0.000 0.745 173 L CB -1.114 40.792 42.059 -0.256 0.000 0.894 173 L HN 0.292 nan 8.230 nan 0.000 0.432 174 F N 0.414 120.238 119.950 -0.210 0.000 2.126 174 F HA -0.195 4.332 4.527 0.001 0.000 0.299 174 F C 2.481 178.231 175.800 -0.084 0.000 1.096 174 F CA 1.165 59.062 58.000 -0.172 0.000 1.255 174 F CB -1.640 37.245 39.000 -0.190 0.000 0.997 174 F HN 0.269 nan 8.300 nan 0.000 0.479 175 N N 0.346 119.119 118.700 0.123 0.000 2.149 175 N HA -0.146 4.595 4.740 0.002 0.000 0.188 175 N C 2.027 177.603 175.510 0.110 0.000 1.019 175 N CA 1.435 54.534 53.050 0.082 0.000 0.857 175 N CB -0.669 37.830 38.487 0.019 0.000 0.997 175 N HN 0.253 nan 8.380 nan 0.000 0.426 176 A N 0.772 123.643 122.820 0.084 0.000 1.873 176 A HA 0.091 4.412 4.320 0.002 0.000 0.215 176 A C 2.352 180.058 177.584 0.204 0.000 1.186 176 A CA 1.824 53.947 52.037 0.144 0.000 0.616 176 A CB -0.850 18.195 19.000 0.074 0.000 0.823 176 A HN 0.304 nan 8.150 nan 0.000 0.442 177 A N 0.365 123.253 122.820 0.114 0.000 1.902 177 A HA -0.187 4.134 4.320 0.002 0.000 0.217 177 A C 1.909 179.500 177.584 0.011 0.000 1.181 177 A CA 1.814 53.877 52.037 0.043 0.000 0.623 177 A CB -0.662 18.351 19.000 0.022 0.000 0.818 177 A HN 0.538 nan 8.150 nan 0.000 0.443 178 N N -1.013 117.717 118.700 0.049 0.000 2.069 178 N HA -0.219 4.522 4.740 0.002 0.000 0.191 178 N C 1.389 176.945 175.510 0.077 0.000 1.031 178 N CA 1.690 54.762 53.050 0.036 0.000 0.852 178 N CB -0.729 37.791 38.487 0.055 0.000 1.018 178 N HN 0.799 nan 8.380 nan 0.000 0.423 179 W N 1.668 122.949 121.300 -0.032 0.000 2.335 179 W HA -0.090 4.575 4.660 0.009 0.000 0.311 179 W C 2.425 178.929 176.519 -0.024 0.000 1.213 179 W CA 1.525 58.871 57.345 0.002 0.000 1.274 179 W CB -0.547 28.930 29.460 0.028 0.000 1.148 179 W HN 0.044 nan 8.180 nan 0.000 0.498 180 M N 0.458 119.918 119.600 -0.234 0.000 2.279 180 M HA -0.173 4.308 4.480 0.002 0.000 0.264 180 M C 1.235 177.059 176.300 -0.794 0.000 1.062 180 M CA 1.951 56.711 55.300 -0.899 0.000 1.099 180 M CB -0.193 31.997 32.600 -0.684 0.000 1.394 180 M HN 0.050 nan 8.290 nan 0.000 0.426 181 E N -0.082 119.884 120.200 -0.391 0.000 2.479 181 E HA 0.030 4.381 4.350 0.002 0.000 0.193 181 E C 0.522 177.029 176.600 -0.155 0.000 1.049 181 E CA 0.048 56.289 56.400 -0.266 0.000 0.870 181 E CB 0.300 29.893 29.700 -0.178 0.000 0.944 181 E HN 0.500 nan 8.360 nan 0.000 0.492 182 S N -0.234 115.376 115.700 -0.150 0.000 2.738 182 S HA 0.155 4.626 4.470 0.002 0.000 0.284 182 S C 1.321 175.893 174.600 -0.046 0.000 1.146 182 S CA -0.226 57.931 58.200 -0.072 0.000 0.997 182 S CB 1.553 64.733 63.200 -0.034 0.000 1.081 182 S HN 0.055 nan 8.310 nan 0.000 0.553 183 S N 0.097 115.787 115.700 -0.017 0.000 2.515 183 S HA -0.025 4.446 4.470 0.002 0.000 0.231 183 S C 1.342 175.937 174.600 -0.007 0.000 0.987 183 S CA 0.805 59.002 58.200 -0.005 0.000 0.936 183 S CB -0.810 62.391 63.200 0.002 0.000 0.766 183 S HN 0.588 nan 8.310 nan 0.000 0.528 184 S N 0.128 115.820 115.700 -0.013 0.000 2.558 184 S HA 0.180 4.651 4.470 0.002 0.000 0.217 184 S C 0.066 174.607 174.600 -0.098 0.000 0.975 184 S CA -0.560 57.653 58.200 0.021 0.000 0.912 184 S CB -0.276 63.021 63.200 0.162 0.000 0.776 184 S HN 0.760 nan 8.310 nan 0.000 0.526 185 W N 4.787 125.750 121.300 -0.562 0.000 2.223 185 W HA 0.125 4.781 4.660 -0.007 0.000 0.334 185 W C -0.090 176.198 176.519 -0.386 0.000 1.334 185 W CA -0.616 56.224 57.345 -0.841 0.000 1.246 185 W CB 0.377 29.382 29.460 -0.758 0.000 1.184 185 W HN 0.184 nan 8.180 nan 0.000 0.563 186 D N 2.664 122.645 120.400 -0.699 0.000 2.538 186 D HA 0.240 4.881 4.640 0.002 0.000 0.231 186 D C 1.391 177.153 176.300 -0.897 0.000 1.229 186 D CA 0.134 53.792 54.000 -0.571 0.000 0.828 186 D CB 0.024 40.718 40.800 -0.178 0.000 1.035 186 D HN 0.693 nan 8.370 nan 0.000 0.495 187 G N 0.332 107.935 108.800 -1.995 0.000 2.195 187 G HA2 -0.300 3.661 3.960 0.002 0.000 0.246 187 G HA3 -0.300 3.661 3.960 0.002 0.000 0.246 187 G C 0.405 174.900 174.900 -0.676 0.000 0.984 187 G CA -0.121 43.951 45.100 -1.714 0.000 0.633 187 G HN 0.451 nan 8.290 nan 0.000 0.525 188 R N -0.746 119.569 120.500 -0.307 0.000 2.553 188 R HA 0.587 4.928 4.340 0.002 0.000 0.263 188 R C 0.070 176.616 176.300 0.409 0.000 1.066 188 R CA -0.750 55.373 56.100 0.039 0.000 1.135 188 R CB 0.459 30.833 30.300 0.124 0.000 1.148 188 R HN 0.169 nan 8.270 nan 0.000 0.558 189 Y N 0.014 120.551 120.300 0.395 0.000 2.357 189 Y HA 0.246 4.800 4.550 0.006 0.000 0.340 189 Y C 0.747 176.885 175.900 0.397 0.000 1.260 189 Y CA -0.218 58.105 58.100 0.371 0.000 1.425 189 Y CB 0.521 39.108 38.460 0.213 0.000 1.326 189 Y HN 0.568 nan 8.280 nan 0.000 0.580 190 A N 2.393 125.524 122.820 0.518 0.000 2.325 190 A HA 0.728 5.049 4.320 0.002 0.000 0.333 190 A C -0.930 176.725 177.584 0.118 0.000 1.155 190 A CA -0.778 51.395 52.037 0.226 0.000 0.814 190 A CB 0.871 20.006 19.000 0.225 0.000 1.206 190 A HN 0.728 nan 8.150 nan 0.000 0.482 191 M N 2.833 122.434 119.600 0.002 0.000 2.181 191 M HA 0.536 5.016 4.480 0.002 0.000 0.323 191 M C -1.642 174.619 176.300 -0.065 0.000 1.004 191 M CA -0.225 55.066 55.300 -0.015 0.000 0.941 191 M CB 1.518 34.120 32.600 0.003 0.000 1.579 191 M HN 0.314 nan 8.290 nan 0.000 0.427 192 V N 6.089 125.959 119.914 -0.072 0.000 2.370 192 V HA 0.641 4.762 4.120 0.002 0.000 0.279 192 V C -0.710 175.314 176.094 -0.116 0.000 1.029 192 V CA -0.620 61.610 62.300 -0.117 0.000 0.870 192 V CB 1.483 33.211 31.823 -0.158 0.000 0.984 192 V HN 0.700 nan 8.190 nan 0.000 0.451 193 V N 4.565 124.415 119.914 -0.107 0.000 2.604 193 V HA 0.694 4.815 4.120 0.002 0.000 0.305 193 V C -0.161 175.890 176.094 -0.073 0.000 1.043 193 V CA -0.510 61.744 62.300 -0.077 0.000 0.888 193 V CB 1.814 33.602 31.823 -0.058 0.000 0.995 193 V HN 1.118 nan 8.190 nan 0.000 0.429 194 C N 1.622 120.899 119.300 -0.037 0.000 3.173 194 C HA 1.089 5.550 4.460 0.002 0.000 0.310 194 C C 0.070 175.100 174.990 0.066 0.000 1.306 194 C CA -0.213 58.808 59.018 0.004 0.000 1.426 194 C CB 1.095 28.835 27.740 -0.000 0.000 1.800 194 C HN 1.484 nan 8.230 nan 0.000 0.470 195 G N 0.825 109.681 108.800 0.093 0.000 2.368 195 G HA2 0.649 4.610 3.960 0.002 0.000 0.293 195 G HA3 0.649 4.610 3.960 0.002 0.000 0.293 195 G C -2.647 172.341 174.900 0.148 0.000 1.467 195 G CA -0.227 44.952 45.100 0.132 0.000 0.804 195 G HN 0.921 nan 8.290 nan 0.000 0.535 196 D N -0.971 119.527 120.400 0.163 0.000 2.728 196 D HA 0.297 4.938 4.640 0.002 0.000 0.249 196 D C -1.152 175.224 176.300 0.126 0.000 1.225 196 D CA -0.366 53.742 54.000 0.179 0.000 0.748 196 D CB 2.218 43.194 40.800 0.293 0.000 1.326 196 D HN 0.401 nan 8.370 nan 0.000 0.426 197 I N 1.331 121.969 120.570 0.113 0.000 2.390 197 I HA 0.468 4.639 4.170 0.002 0.000 0.283 197 I C -0.035 176.078 176.117 -0.007 0.000 1.016 197 I CA -0.559 60.781 61.300 0.068 0.000 1.151 197 I CB 1.590 39.646 38.000 0.094 0.000 1.293 197 I HN 0.296 nan 8.210 nan 0.000 0.458 198 A N 7.493 130.195 122.820 -0.195 0.000 2.260 198 A HA 0.719 5.040 4.320 0.002 0.000 0.312 198 A C -0.326 177.172 177.584 -0.143 0.000 1.321 198 A CA -0.419 51.328 52.037 -0.483 0.000 0.928 198 A CB 0.465 18.784 19.000 -1.135 0.000 1.158 198 A HN 0.567 nan 8.150 nan 0.000 0.542 199 V N 0.407 120.276 119.914 -0.075 0.000 2.841 199 V HA 0.854 4.975 4.120 0.002 0.000 0.310 199 V C -1.250 174.848 176.094 0.007 0.000 1.090 199 V CA -0.982 61.374 62.300 0.093 0.000 0.930 199 V CB 1.081 33.046 31.823 0.236 0.000 1.014 199 V HN 0.683 nan 8.190 nan 0.000 0.425 200 Y N 2.703 123.138 120.300 0.225 0.000 2.602 200 Y HA 0.798 5.349 4.550 0.002 0.000 0.342 200 Y C -2.375 173.199 175.900 -0.543 0.000 1.029 200 Y CA -2.440 55.616 58.100 -0.073 0.000 1.080 200 Y CB 2.402 40.856 38.460 -0.009 0.000 1.284 200 Y HN 0.503 nan 8.280 nan 0.000 0.485 201 P HA 0.005 nan 4.420 nan 0.000 0.273 201 P C -0.210 176.960 177.300 -0.216 0.000 1.250 201 P CA -0.307 62.345 63.100 -0.748 0.000 0.793 201 P CB 0.839 32.153 31.700 -0.645 0.000 1.011 202 S N -0.274 115.362 115.700 -0.106 0.000 2.563 202 S HA 0.405 4.876 4.470 0.002 0.000 0.294 202 S C 0.473 175.055 174.600 -0.031 0.000 1.279 202 S CA 1.188 59.378 58.200 -0.017 0.000 1.069 202 S CB -1.428 61.782 63.200 0.016 0.000 0.828 202 S HN 0.919 nan 8.310 nan 0.000 0.497 203 G N 3.869 112.663 108.800 -0.008 0.000 2.350 203 G HA2 -0.046 3.915 3.960 0.002 0.000 0.282 203 G HA3 -0.046 3.915 3.960 0.002 0.000 0.282 203 G C 0.091 174.963 174.900 -0.045 0.000 1.314 203 G CA -0.088 44.996 45.100 -0.026 0.000 0.915 203 G HN 0.712 nan 8.290 nan 0.000 0.499 204 N N -0.033 118.627 118.700 -0.066 0.000 2.512 204 N HA 0.185 4.926 4.740 0.002 0.000 0.183 204 N C 1.828 177.215 175.510 -0.205 0.000 1.073 204 N CA 2.030 55.025 53.050 -0.092 0.000 0.911 204 N CB -0.161 38.283 38.487 -0.071 0.000 0.964 204 N HN 1.103 nan 8.380 nan 0.000 0.447 205 A N 0.626 123.285 122.820 -0.269 0.000 2.095 205 A HA 0.127 4.448 4.320 0.002 0.000 0.212 205 A C 2.229 179.530 177.584 -0.472 0.000 1.162 205 A CA 0.295 52.009 52.037 -0.539 0.000 0.753 205 A CB -0.444 18.031 19.000 -0.876 0.000 0.840 205 A HN 0.288 nan 8.150 nan 0.000 0.468 206 R N 0.517 120.917 120.500 -0.166 0.000 2.103 206 R HA -0.120 4.221 4.340 0.002 0.000 0.242 206 R C -1.206 175.091 176.300 -0.004 0.000 1.142 206 R CA 2.054 58.189 56.100 0.058 0.000 0.960 206 R CB -1.062 29.297 30.300 0.098 0.000 0.858 206 R HN 0.346 nan 8.270 nan 0.000 0.439 207 P HA -0.031 nan 4.420 nan 0.000 0.239 207 P C 0.038 177.195 177.300 -0.238 0.000 1.184 207 P CA 1.279 64.147 63.100 -0.387 0.000 0.760 207 P CB 0.198 31.300 31.700 -0.997 0.000 0.884 208 T N -4.766 109.710 114.554 -0.131 0.000 3.215 208 T HA 0.426 4.777 4.350 0.002 0.000 0.271 208 T C 0.896 175.741 174.700 0.241 0.000 1.012 208 T CA -0.433 61.672 62.100 0.008 0.000 0.899 208 T CB -0.256 68.593 68.868 -0.033 0.000 1.089 208 T HN -0.054 nan 8.240 nan 0.000 0.552 209 G N -0.087 108.876 108.800 0.272 0.000 2.510 209 G HA2 0.714 4.675 3.960 0.002 0.000 0.280 209 G HA3 0.714 4.675 3.960 0.002 0.000 0.280 209 G C 0.151 175.115 174.900 0.107 0.000 1.386 209 G CA -0.300 44.954 45.100 0.257 0.000 1.047 209 G HN 0.945 nan 8.290 nan 0.000 0.527 210 G N -2.919 105.917 108.800 0.060 0.000 2.327 210 G HA2 0.665 4.626 3.960 0.002 0.000 0.291 210 G HA3 0.665 4.626 3.960 0.002 0.000 0.291 210 G C -1.338 173.588 174.900 0.044 0.000 1.290 210 G CA 0.272 45.408 45.100 0.060 0.000 0.857 210 G HN 2.020 nan 8.290 nan 0.000 0.520 211 A N -1.577 121.289 122.820 0.076 0.000 2.594 211 A HA 1.178 5.499 4.320 0.002 0.000 0.296 211 A C 0.006 177.672 177.584 0.137 0.000 1.056 211 A CA 0.596 52.693 52.037 0.101 0.000 0.693 211 A CB 1.228 20.309 19.000 0.135 0.000 1.278 211 A HN 2.819 nan 8.150 nan 0.000 0.408 212 G N -0.980 107.922 108.800 0.170 0.000 2.327 212 G HA2 0.823 4.784 3.960 0.002 0.000 0.291 212 G HA3 0.823 4.784 3.960 0.002 0.000 0.291 212 G C -0.800 174.243 174.900 0.238 0.000 1.290 212 G CA 0.455 45.685 45.100 0.216 0.000 0.857 212 G HN 2.517 nan 8.290 nan 0.000 0.520 213 A N -1.618 121.359 122.820 0.261 0.000 2.606 213 A HA 0.931 5.252 4.320 0.002 0.000 0.293 213 A C -1.500 176.192 177.584 0.180 0.000 1.082 213 A CA -0.393 51.767 52.037 0.205 0.000 0.685 213 A CB 1.847 20.957 19.000 0.184 0.000 1.284 213 A HN 1.874 nan 8.150 nan 0.000 0.408 214 V N 0.021 120.011 119.914 0.126 0.000 2.841 214 V HA 0.798 4.919 4.120 0.002 0.000 0.310 214 V C -0.015 176.096 176.094 0.029 0.000 1.090 214 V CA -0.061 62.297 62.300 0.096 0.000 0.930 214 V CB 1.866 33.766 31.823 0.129 0.000 1.014 214 V HN 1.735 nan 8.190 nan 0.000 0.425 215 A N 5.520 128.347 122.820 0.013 0.000 2.355 215 A HA 0.971 5.292 4.320 0.002 0.000 0.317 215 A C -0.821 176.741 177.584 -0.036 0.000 1.094 215 A CA -0.576 51.448 52.037 -0.022 0.000 0.764 215 A CB 1.407 20.401 19.000 -0.011 0.000 1.230 215 A HN 0.798 nan 8.150 nan 0.000 0.448 216 M N 2.217 121.780 119.600 -0.062 0.000 2.326 216 M HA 0.384 4.865 4.480 0.002 0.000 0.306 216 M C -1.109 175.163 176.300 -0.048 0.000 1.054 216 M CA -0.668 54.597 55.300 -0.059 0.000 0.922 216 M CB 2.045 34.593 32.600 -0.086 0.000 1.632 216 M HN 0.624 nan 8.290 nan 0.000 0.436 217 L N 4.871 126.061 121.223 -0.056 0.000 2.276 217 L HA 0.520 4.861 4.340 0.002 0.000 0.286 217 L C -1.087 175.772 176.870 -0.018 0.000 1.061 217 L CA -0.094 54.702 54.840 -0.072 0.000 0.807 217 L CB 0.451 42.392 42.059 -0.195 0.000 1.177 217 L HN 0.485 nan 8.230 nan 0.000 0.429 218 I N 4.850 125.461 120.570 0.069 0.000 2.404 218 I HA 0.760 4.931 4.170 0.002 0.000 0.293 218 I C 0.570 176.840 176.117 0.255 0.000 0.992 218 I CA -0.370 61.010 61.300 0.133 0.000 1.149 218 I CB 0.765 38.845 38.000 0.134 0.000 1.315 218 I HN 0.707 nan 8.210 nan 0.000 0.446 219 G N 6.480 115.413 108.800 0.222 0.000 2.600 219 G HA2 0.678 4.639 3.960 0.002 0.000 0.293 219 G HA3 0.678 4.639 3.960 0.002 0.000 0.293 219 G C -3.339 171.636 174.900 0.124 0.000 1.408 219 G CA -0.920 44.354 45.100 0.290 0.000 0.782 219 G HN 0.266 nan 8.290 nan 0.000 0.482 220 P HA 0.265 nan 4.420 nan 0.000 0.272 220 P C -0.411 176.939 177.300 0.084 0.000 1.240 220 P CA -0.025 63.087 63.100 0.020 0.000 0.791 220 P CB 0.344 32.063 31.700 0.030 0.000 0.978 221 K N -2.087 118.349 120.400 0.060 0.000 3.096 221 K HA -0.142 4.179 4.320 0.002 0.000 0.266 221 K C -0.027 176.620 176.600 0.078 0.000 1.043 221 K CA 0.381 56.710 56.287 0.070 0.000 0.758 221 K CB -2.157 30.391 32.500 0.079 0.000 1.260 221 K HN 0.611 nan 8.250 nan 0.000 0.481 222 A N 0.844 123.711 122.820 0.080 0.000 2.316 222 A HA 0.430 4.751 4.320 0.002 0.000 0.284 222 A C -0.880 176.748 177.584 0.074 0.000 1.115 222 A CA -1.283 50.802 52.037 0.081 0.000 0.812 222 A CB 0.392 19.449 19.000 0.095 0.000 1.064 222 A HN 0.036 nan 8.150 nan 0.000 0.489 223 P HA -0.004 nan 4.420 nan 0.000 0.222 223 P C -0.026 177.305 177.300 0.051 0.000 1.153 223 P CA 1.008 64.135 63.100 0.045 0.000 0.798 223 P CB 0.093 31.805 31.700 0.020 0.000 0.796 224 L N 0.262 121.513 121.223 0.047 0.000 2.335 224 L HA 0.534 4.875 4.340 0.002 0.000 0.268 224 L C 0.150 177.175 176.870 0.260 0.000 1.037 224 L CA -0.972 53.912 54.840 0.072 0.000 0.895 224 L CB 1.147 43.092 42.059 -0.190 0.000 1.266 224 L HN -0.151 nan 8.230 nan 0.000 0.439 225 A N 4.329 127.321 122.820 0.287 0.000 2.301 225 A HA 0.611 4.932 4.320 0.002 0.000 0.298 225 A C -0.056 177.727 177.584 0.331 0.000 1.185 225 A CA -0.522 51.675 52.037 0.267 0.000 0.830 225 A CB 0.581 19.678 19.000 0.161 0.000 1.112 225 A HN 0.659 nan 8.150 nan 0.000 0.508 226 L N 2.314 123.692 121.223 0.259 0.000 2.499 226 L HA 0.045 4.386 4.340 0.002 0.000 0.273 226 L C 0.721 177.635 176.870 0.073 0.000 1.195 226 L CA 0.291 55.188 54.840 0.095 0.000 0.882 226 L CB 0.370 42.457 42.059 0.046 0.000 1.133 226 L HN 0.688 nan 8.230 nan 0.000 0.483 227 E N 4.627 124.866 120.200 0.065 0.000 2.217 227 E HA 0.113 4.464 4.350 0.002 0.000 0.279 227 E C -0.373 176.236 176.600 0.015 0.000 1.068 227 E CA -0.354 56.090 56.400 0.074 0.000 0.882 227 E CB 0.641 30.415 29.700 0.123 0.000 1.039 227 E HN 0.407 nan 8.360 nan 0.000 0.418 228 R N 1.097 121.595 120.500 -0.004 0.000 2.537 228 R HA 0.102 4.443 4.340 0.002 0.000 0.280 228 R C 1.118 177.373 176.300 -0.075 0.000 1.058 228 R CA 0.793 56.865 56.100 -0.047 0.000 1.057 228 R CB 0.445 30.722 30.300 -0.038 0.000 0.973 228 R HN 0.898 nan 8.270 nan 0.000 0.438 229 G N 2.291 111.027 108.800 -0.106 0.000 2.184 229 G HA2 -0.279 3.682 3.960 0.002 0.000 0.264 229 G HA3 -0.279 3.682 3.960 0.002 0.000 0.264 229 G C 0.218 175.028 174.900 -0.150 0.000 0.975 229 G CA -0.107 44.918 45.100 -0.125 0.000 0.642 229 G HN 0.513 nan 8.290 nan 0.000 0.536 230 L N 0.881 122.028 121.223 -0.127 0.000 2.701 230 L HA 0.450 4.791 4.340 0.002 0.000 0.237 230 L C 0.652 177.573 176.870 0.085 0.000 1.204 230 L CA -0.402 54.357 54.840 -0.135 0.000 1.109 230 L CB 0.456 42.407 42.059 -0.180 0.000 1.409 230 L HN 0.091 nan 8.230 nan 0.000 0.428 231 R N 0.906 121.414 120.500 0.014 0.000 2.320 231 R HA 0.417 4.758 4.340 0.002 0.000 0.319 231 R C 0.307 176.709 176.300 0.170 0.000 0.969 231 R CA -0.467 55.694 56.100 0.101 0.000 0.857 231 R CB 1.905 32.073 30.300 -0.219 0.000 1.160 231 R HN 0.394 nan 8.270 nan 0.000 0.491 232 G N 2.146 111.158 108.800 0.353 0.000 2.393 232 G HA2 0.242 4.203 3.960 0.002 0.000 0.311 232 G HA3 0.242 4.203 3.960 0.002 0.000 0.311 232 G C -0.324 174.774 174.900 0.330 0.000 1.067 232 G CA -0.030 45.241 45.100 0.284 0.000 1.000 232 G HN 0.343 nan 8.290 nan 0.000 0.422 233 T N 1.192 115.889 114.554 0.238 0.000 2.888 233 T HA 0.524 4.875 4.350 0.002 0.000 0.284 233 T C -1.030 173.809 174.700 0.231 0.000 1.017 233 T CA -0.272 61.974 62.100 0.244 0.000 1.022 233 T CB 1.594 70.576 68.868 0.190 0.000 1.013 233 T HN 0.709 nan 8.240 nan 0.000 0.465 234 H N 2.031 121.155 119.070 0.090 0.000 2.966 234 H HA 0.608 5.164 4.556 0.001 0.000 0.347 234 H C -1.380 173.937 175.328 -0.019 0.000 1.048 234 H CA -0.699 55.381 56.048 0.053 0.000 1.295 234 H CB 0.772 30.597 29.762 0.105 0.000 1.744 234 H HN 0.447 nan 8.280 nan 0.000 0.513 235 M N 4.036 123.297 119.600 -0.565 0.000 2.518 235 M HA 0.408 4.889 4.480 0.002 0.000 0.300 235 M C -1.122 174.850 176.300 -0.546 0.000 1.175 235 M CA -0.734 54.264 55.300 -0.503 0.000 0.890 235 M CB 2.993 35.409 32.600 -0.306 0.000 1.710 235 M HN 0.807 nan 8.290 nan 0.000 0.453 236 E N 0.879 120.857 120.200 -0.369 0.000 2.437 236 E HA 0.376 4.727 4.350 0.002 0.000 0.280 236 E C -1.555 174.958 176.600 -0.145 0.000 1.044 236 E CA -1.054 55.219 56.400 -0.212 0.000 0.826 236 E CB 1.411 31.037 29.700 -0.123 0.000 1.358 236 E HN 0.530 nan 8.360 nan 0.000 0.459 237 N N 1.062 119.700 118.700 -0.103 0.000 2.437 237 N HA 0.312 5.053 4.740 0.002 0.000 0.243 237 N C -0.923 174.519 175.510 -0.112 0.000 1.041 237 N CA -0.284 52.688 53.050 -0.132 0.000 0.940 237 N CB 1.080 39.507 38.487 -0.100 0.000 1.133 237 N HN 0.572 nan 8.380 nan 0.000 0.506 238 V N 1.385 121.196 119.914 -0.172 0.000 3.141 238 V HA 0.605 4.726 4.120 0.002 0.000 0.312 238 V C -1.005 174.919 176.094 -0.282 0.000 1.157 238 V CA -0.766 61.475 62.300 -0.098 0.000 1.041 238 V CB 1.675 33.528 31.823 0.051 0.000 1.071 238 V HN 0.391 nan 8.190 nan 0.000 0.441 239 Y N 1.254 121.546 120.300 -0.014 0.000 2.516 239 Y HA 0.330 4.881 4.550 0.002 0.000 0.341 239 Y C 1.227 177.243 175.900 0.194 0.000 0.912 239 Y CA -0.544 57.492 58.100 -0.106 0.000 1.167 239 Y CB 0.367 38.626 38.460 -0.336 0.000 1.195 239 Y HN 0.893 nan 8.280 nan 0.000 0.610 240 D N 0.130 120.748 120.400 0.363 0.000 2.162 240 D HA -0.101 4.540 4.640 0.002 0.000 0.203 240 D C 0.334 176.972 176.300 0.563 0.000 0.967 240 D CA 0.803 55.054 54.000 0.418 0.000 0.840 240 D CB 0.378 41.402 40.800 0.372 0.000 0.972 240 D HN 0.285 nan 8.370 nan 0.000 0.482 241 F N 0.472 120.678 119.950 0.427 0.000 2.622 241 F HA 0.472 5.000 4.527 0.002 0.000 0.318 241 F C -2.000 174.062 175.800 0.436 0.000 1.135 241 F CA -1.016 57.203 58.000 0.366 0.000 1.015 241 F CB 1.262 40.425 39.000 0.272 0.000 1.275 241 F HN -0.025 nan 8.300 nan 0.000 0.457 242 Y N 2.139 122.407 120.300 -0.054 0.000 2.677 242 Y HA 0.575 5.126 4.550 0.001 0.000 0.334 242 Y C -1.845 173.980 175.900 -0.125 0.000 1.196 242 Y CA -1.491 56.627 58.100 0.029 0.000 1.059 242 Y CB 1.527 40.087 38.460 0.166 0.000 1.315 242 Y HN 0.449 nan 8.280 nan 0.000 0.455 243 K N 2.230 122.651 120.400 0.035 0.000 2.762 243 K HA 0.285 4.606 4.320 0.002 0.000 0.180 243 K C -2.438 174.199 176.600 0.062 0.000 1.067 243 K CA -1.471 54.792 56.287 -0.040 0.000 0.973 243 K CB 1.272 33.779 32.500 0.012 0.000 1.290 243 K HN 0.514 nan 8.250 nan 0.000 0.604 244 P HA 0.030 nan 4.420 nan 0.000 0.252 244 P C -0.508 176.828 177.300 0.060 0.000 1.218 244 P CA 0.072 63.253 63.100 0.134 0.000 0.807 244 P CB 0.388 32.238 31.700 0.249 0.000 1.072 245 N N 1.322 120.029 118.700 0.012 0.000 2.555 245 N HA 0.143 4.884 4.740 0.002 0.000 0.244 245 N C 1.258 176.761 175.510 -0.011 0.000 1.114 245 N CA -0.061 52.986 53.050 -0.006 0.000 0.963 245 N CB 0.829 39.303 38.487 -0.022 0.000 1.276 245 N HN 0.131 nan 8.380 nan 0.000 0.510 246 L N 0.456 121.681 121.223 0.003 0.000 2.191 246 L HA -0.094 4.247 4.340 0.002 0.000 0.212 246 L C 1.860 178.732 176.870 0.002 0.000 1.103 246 L CA 0.958 55.812 54.840 0.022 0.000 0.769 246 L CB -0.120 41.958 42.059 0.033 0.000 0.908 246 L HN 0.423 nan 8.230 nan 0.000 0.438 247 A N -1.482 121.309 122.820 -0.049 0.000 2.275 247 A HA 0.117 4.438 4.320 0.002 0.000 0.212 247 A C 1.006 178.410 177.584 -0.301 0.000 1.201 247 A CA 0.103 52.106 52.037 -0.056 0.000 0.843 247 A CB 0.020 18.907 19.000 -0.187 0.000 0.873 247 A HN 0.235 nan 8.150 nan 0.000 0.492 248 S N -0.967 114.567 115.700 -0.275 0.000 2.501 248 S HA 0.355 4.826 4.470 0.002 0.000 0.301 248 S C 0.523 175.007 174.600 -0.194 0.000 1.096 248 S CA -0.451 57.560 58.200 -0.315 0.000 1.063 248 S CB 1.391 64.520 63.200 -0.119 0.000 1.042 248 S HN 0.413 nan 8.310 nan 0.000 0.494 249 E N 2.017 122.150 120.200 -0.112 0.000 2.347 249 E HA -0.010 4.340 4.350 0.002 0.000 0.196 249 E C -0.597 176.012 176.600 0.014 0.000 1.008 249 E CA 0.610 57.080 56.400 0.116 0.000 0.852 249 E CB 0.155 29.905 29.700 0.083 0.000 0.783 249 E HN 0.620 nan 8.360 nan 0.000 0.505 250 Y N 1.099 121.430 120.300 0.053 0.000 2.304 250 Y HA 0.223 4.774 4.550 0.002 0.000 0.328 250 Y C -1.835 174.003 175.900 -0.104 0.000 1.123 250 Y CA -3.675 54.417 58.100 -0.013 0.000 1.218 250 Y CB 0.136 38.604 38.460 0.014 0.000 1.207 250 Y HN -0.001 nan 8.280 nan 0.000 0.495 251 P HA 0.299 nan 4.420 nan 0.000 0.278 251 P C -0.540 176.574 177.300 -0.309 0.000 1.258 251 P CA -0.313 62.560 63.100 -0.377 0.000 0.811 251 P CB 1.543 32.647 31.700 -0.993 0.000 1.063 252 I N 1.005 121.265 120.570 -0.516 0.000 2.371 252 I HA 0.276 4.447 4.170 0.002 0.000 0.290 252 I C 0.414 176.309 176.117 -0.371 0.000 1.028 252 I CA -0.526 60.498 61.300 -0.460 0.000 1.345 252 I CB 1.390 38.958 38.000 -0.721 0.000 1.407 252 I HN 0.056 nan 8.210 nan 0.000 0.501 253 V N 6.537 126.401 119.914 -0.083 0.000 2.686 253 V HA 0.382 4.503 4.120 0.002 0.000 0.306 253 V C -1.183 175.001 176.094 0.151 0.000 1.065 253 V CA -0.463 61.908 62.300 0.118 0.000 0.894 253 V CB 2.220 34.206 31.823 0.272 0.000 1.004 253 V HN 0.708 nan 8.190 nan 0.000 0.424 254 D N 4.519 125.052 120.400 0.223 0.000 2.443 254 D HA 0.401 5.042 4.640 0.002 0.000 0.221 254 D C 1.091 177.502 176.300 0.185 0.000 1.097 254 D CA 0.550 54.658 54.000 0.181 0.000 0.865 254 D CB 1.541 42.461 40.800 0.200 0.000 1.034 254 D HN 0.689 nan 8.370 nan 0.000 0.511 255 G N 4.118 112.998 108.800 0.133 0.000 2.491 255 G HA2 -0.332 3.628 3.960 0.002 0.000 0.218 255 G HA3 -0.332 3.628 3.960 0.002 0.000 0.218 255 G C 1.358 176.333 174.900 0.125 0.000 1.180 255 G CA 1.062 46.235 45.100 0.122 0.000 0.774 255 G HN 0.546 nan 8.290 nan 0.000 0.562 256 K N -0.265 120.193 120.400 0.096 0.000 2.063 256 K HA -0.069 4.252 4.320 0.002 0.000 0.208 256 K C 2.448 179.115 176.600 0.112 0.000 1.048 256 K CA 1.394 57.734 56.287 0.088 0.000 0.928 256 K CB -0.297 32.243 32.500 0.066 0.000 0.713 256 K HN 0.252 nan 8.250 nan 0.000 0.442 257 L N 1.289 122.595 121.223 0.137 0.000 2.083 257 L HA -0.150 4.191 4.340 0.002 0.000 0.209 257 L C 2.317 179.305 176.870 0.196 0.000 1.083 257 L CA 2.283 57.220 54.840 0.161 0.000 0.752 257 L CB -0.715 41.452 42.059 0.180 0.000 0.899 257 L HN 0.394 nan 8.230 nan 0.000 0.433 258 S N -0.824 115.014 115.700 0.230 0.000 2.382 258 S HA -0.192 4.278 4.470 0.002 0.000 0.228 258 S C 2.069 176.786 174.600 0.195 0.000 1.027 258 S CA 1.567 59.933 58.200 0.276 0.000 0.991 258 S CB -0.970 62.432 63.200 0.337 0.000 0.823 258 S HN 0.508 nan 8.310 nan 0.000 0.469 259 I N 1.701 122.356 120.570 0.142 0.000 2.252 259 I HA -0.184 3.987 4.170 0.002 0.000 0.245 259 I C 3.031 179.191 176.117 0.071 0.000 1.102 259 I CA 1.437 62.776 61.300 0.065 0.000 1.385 259 I CB -0.439 37.596 38.000 0.058 0.000 1.064 259 I HN 0.371 nan 8.210 nan 0.000 0.414 260 Q N -0.238 119.618 119.800 0.094 0.000 2.084 260 Q HA -0.213 4.128 4.340 0.002 0.000 0.202 260 Q C 2.510 178.582 176.000 0.120 0.000 0.978 260 Q CA 1.804 57.664 55.803 0.094 0.000 0.844 260 Q CB -0.271 28.524 28.738 0.095 0.000 0.898 260 Q HN 0.570 nan 8.270 nan 0.000 0.426 261 C N -0.439 118.956 119.300 0.158 0.000 2.446 261 C HA -0.137 4.324 4.460 0.002 0.000 0.277 261 C C 2.421 177.485 174.990 0.122 0.000 1.275 261 C CA 0.392 59.536 59.018 0.211 0.000 1.727 261 C CB -0.954 26.979 27.740 0.323 0.000 2.010 261 C HN 0.555 nan 8.230 nan 0.000 0.486 262 Y N 1.434 121.550 120.300 -0.306 0.000 2.128 262 Y HA -0.216 4.335 4.550 0.002 0.000 0.284 262 Y C 2.233 178.025 175.900 -0.180 0.000 1.154 262 Y CA 1.637 59.320 58.100 -0.696 0.000 1.149 262 Y CB -0.259 37.852 38.460 -0.581 0.000 0.976 262 Y HN 0.216 nan 8.280 nan 0.000 0.505 263 L N -0.086 121.259 121.223 0.203 0.000 2.109 263 L HA -0.160 4.181 4.340 0.002 0.000 0.207 263 L C 2.687 179.589 176.870 0.054 0.000 1.086 263 L CA 1.471 56.389 54.840 0.131 0.000 0.760 263 L CB -0.528 41.580 42.059 0.082 0.000 0.910 263 L HN 0.173 nan 8.230 nan 0.000 0.437 264 R N 0.628 121.173 120.500 0.076 0.000 2.075 264 R HA -0.154 4.187 4.340 0.002 0.000 0.232 264 R C 2.344 178.665 176.300 0.034 0.000 1.126 264 R CA 1.400 57.532 56.100 0.053 0.000 0.963 264 R CB -0.237 30.112 30.300 0.083 0.000 0.858 264 R HN 0.295 nan 8.270 nan 0.000 0.435 265 A N 1.256 124.171 122.820 0.158 0.000 1.933 265 A HA -0.166 4.155 4.320 0.002 0.000 0.218 265 A C 2.047 179.744 177.584 0.189 0.000 1.175 265 A CA 1.307 53.523 52.037 0.299 0.000 0.628 265 A CB -0.624 18.748 19.000 0.619 0.000 0.814 265 A HN 0.407 nan 8.150 nan 0.000 0.444 266 L N 0.283 121.465 121.223 -0.069 0.000 2.012 266 L HA -0.190 4.151 4.340 0.002 0.000 0.210 266 L C 1.724 178.503 176.870 -0.151 0.000 1.073 266 L CA 2.591 57.138 54.840 -0.490 0.000 0.748 266 L CB -0.739 40.953 42.059 -0.611 0.000 0.891 266 L HN 0.364 nan 8.230 nan 0.000 0.431 267 D N -0.541 119.819 120.400 -0.066 0.000 2.106 267 D HA -0.191 4.449 4.640 0.002 0.000 0.191 267 D C 2.267 178.557 176.300 -0.015 0.000 0.997 267 D CA 1.216 55.209 54.000 -0.011 0.000 0.834 267 D CB -0.221 40.570 40.800 -0.015 0.000 0.956 267 D HN 0.296 nan 8.370 nan 0.000 0.448 268 R N 0.304 120.759 120.500 -0.076 0.000 2.081 268 R HA -0.043 4.298 4.340 0.002 0.000 0.235 268 R C 2.599 178.907 176.300 0.013 0.000 1.131 268 R CA 0.573 56.599 56.100 -0.123 0.000 0.960 268 R CB -1.220 28.804 30.300 -0.459 0.000 0.856 268 R HN 0.298 nan 8.270 nan 0.000 0.436 269 C N -0.170 119.210 119.300 0.133 0.000 2.446 269 C HA -0.091 4.370 4.460 0.002 0.000 0.277 269 C C 2.551 177.616 174.990 0.125 0.000 1.275 269 C CA 0.066 59.240 59.018 0.261 0.000 1.727 269 C CB -1.127 26.941 27.740 0.547 0.000 2.010 269 C HN 0.429 nan 8.230 nan 0.000 0.486 270 Y N 2.001 122.182 120.300 -0.199 0.000 2.200 270 Y HA -0.163 4.388 4.550 0.001 0.000 0.290 270 Y C 2.590 178.317 175.900 -0.289 0.000 1.137 270 Y CA 1.976 59.762 58.100 -0.523 0.000 1.163 270 Y CB -0.894 37.297 38.460 -0.448 0.000 0.988 270 Y HN 0.271 nan 8.280 nan 0.000 0.518 271 T N -1.146 113.304 114.554 -0.172 0.000 2.708 271 T HA -0.215 4.136 4.350 0.002 0.000 0.266 271 T C 2.222 176.809 174.700 -0.190 0.000 1.037 271 T CA 1.694 63.667 62.100 -0.212 0.000 1.146 271 T CB -0.620 68.178 68.868 -0.116 0.000 0.865 271 T HN 0.385 nan 8.240 nan 0.000 0.435 272 S N -0.088 115.555 115.700 -0.095 0.000 2.356 272 S HA -0.149 4.322 4.470 0.002 0.000 0.223 272 S C 1.875 176.410 174.600 -0.110 0.000 1.032 272 S CA 1.279 59.441 58.200 -0.063 0.000 1.005 272 S CB -0.571 62.648 63.200 0.032 0.000 0.867 272 S HN 0.616 nan 8.310 nan 0.000 0.449 273 Y N 1.928 122.082 120.300 -0.244 0.000 2.145 273 Y HA -0.086 4.465 4.550 0.001 0.000 0.286 273 Y C 2.423 178.008 175.900 -0.524 0.000 1.145 273 Y CA 1.945 59.853 58.100 -0.320 0.000 1.148 273 Y CB -0.283 37.979 38.460 -0.329 0.000 0.981 273 Y HN 0.190 nan 8.280 nan 0.000 0.507 274 R N -0.118 120.089 120.500 -0.487 0.000 2.081 274 R HA -0.187 4.154 4.340 0.002 0.000 0.235 274 R C 2.582 178.604 176.300 -0.464 0.000 1.131 274 R CA 1.725 57.473 56.100 -0.587 0.000 0.960 274 R CB -0.415 29.567 30.300 -0.531 0.000 0.856 274 R HN 0.128 nan 8.270 nan 0.000 0.436 275 K N 1.401 121.596 120.400 -0.341 0.000 2.057 275 K HA -0.159 4.162 4.320 0.002 0.000 0.207 275 K C 1.822 178.246 176.600 -0.295 0.000 1.049 275 K CA 1.659 57.793 56.287 -0.255 0.000 0.931 275 K CB -0.106 32.287 32.500 -0.178 0.000 0.714 275 K HN 0.300 nan 8.250 nan 0.000 0.440 276 K N -0.164 120.024 120.400 -0.354 0.000 2.057 276 K HA 0.079 4.400 4.320 0.002 0.000 0.206 276 K C 2.283 178.600 176.600 -0.472 0.000 1.050 276 K CA 1.699 57.772 56.287 -0.357 0.000 0.935 276 K CB -0.320 31.981 32.500 -0.332 0.000 0.715 276 K HN 0.331 nan 8.250 nan 0.000 0.439 277 I N 1.255 121.385 120.570 -0.733 0.000 2.439 277 I HA -0.272 3.899 4.170 0.002 0.000 0.251 277 I C 2.004 177.592 176.117 -0.883 0.000 1.139 277 I CA 1.221 61.984 61.300 -0.893 0.000 1.438 277 I CB 0.126 37.390 38.000 -1.227 0.000 1.085 277 I HN 0.227 nan 8.210 nan 0.000 0.427 278 Q N 0.337 119.758 119.800 -0.631 0.000 2.119 278 Q HA -0.194 4.147 4.340 0.002 0.000 0.201 278 Q C 1.828 177.754 176.000 -0.124 0.000 0.972 278 Q CA 1.534 57.157 55.803 -0.301 0.000 0.847 278 Q CB -0.072 28.569 28.738 -0.162 0.000 0.903 278 Q HN 0.500 nan 8.270 nan 0.000 0.433 279 N N 0.546 119.142 118.700 -0.173 0.000 2.142 279 N HA -0.148 4.593 4.740 0.002 0.000 0.186 279 N C 1.591 177.069 175.510 -0.053 0.000 1.023 279 N CA 1.122 54.116 53.050 -0.093 0.000 0.852 279 N CB -0.104 38.317 38.487 -0.112 0.000 0.998 279 N HN 0.315 nan 8.380 nan 0.000 0.424 280 Q N -0.846 118.891 119.800 -0.106 0.000 2.084 280 Q HA -0.123 4.218 4.340 0.002 0.000 0.202 280 Q C 1.656 177.752 176.000 0.160 0.000 0.978 280 Q CA 1.001 56.794 55.803 -0.017 0.000 0.844 280 Q CB -0.163 28.530 28.738 -0.075 0.000 0.898 280 Q HN 0.454 nan 8.270 nan 0.000 0.426 281 W N 0.914 122.199 121.300 -0.024 0.000 2.358 281 W HA -0.162 4.498 4.660 0.000 0.000 0.303 281 W C 2.704 179.219 176.519 -0.006 0.000 1.208 281 W CA 1.593 58.937 57.345 -0.003 0.000 1.274 281 W CB -0.983 28.487 29.460 0.016 0.000 1.138 281 W HN 0.188 nan 8.180 nan 0.000 0.515 282 K N 0.561 121.091 120.400 0.217 0.000 2.057 282 K HA -0.214 4.107 4.320 0.002 0.000 0.207 282 K C 1.777 178.423 176.600 0.077 0.000 1.049 282 K CA 1.885 58.241 56.287 0.115 0.000 0.931 282 K CB -1.178 31.363 32.500 0.068 0.000 0.714 282 K HN 0.423 nan 8.250 nan 0.000 0.440 283 Q N -0.720 119.120 119.800 0.067 0.000 2.226 283 Q HA 0.015 4.356 4.340 0.002 0.000 0.204 283 Q C 2.192 178.223 176.000 0.051 0.000 0.975 283 Q CA 1.169 56.999 55.803 0.045 0.000 0.866 283 Q CB -0.120 28.637 28.738 0.032 0.000 0.915 283 Q HN 0.637 nan 8.270 nan 0.000 0.440 284 A N -0.231 122.636 122.820 0.078 0.000 2.307 284 A HA 0.375 4.696 4.320 0.002 0.000 0.218 284 A C 1.215 178.820 177.584 0.035 0.000 1.228 284 A CA 0.578 52.651 52.037 0.060 0.000 0.857 284 A CB -0.066 18.984 19.000 0.082 0.000 0.897 284 A HN 0.402 nan 8.150 nan 0.000 0.495 285 G N -1.036 107.788 108.800 0.041 0.000 2.142 285 G HA2 -0.119 3.842 3.960 0.002 0.000 0.225 285 G HA3 -0.119 3.842 3.960 0.002 0.000 0.225 285 G C 0.102 175.010 174.900 0.013 0.000 1.015 285 G CA 0.407 45.520 45.100 0.022 0.000 0.716 285 G HN 1.324 nan 8.290 nan 0.000 0.508 286 S N -0.889 114.833 115.700 0.038 0.000 2.561 286 S HA 0.606 5.077 4.470 0.002 0.000 0.303 286 S C 0.238 174.895 174.600 0.095 0.000 1.110 286 S CA -0.079 58.133 58.200 0.020 0.000 1.034 286 S CB 1.383 64.533 63.200 -0.083 0.000 1.010 286 S HN 0.102 nan 8.310 nan 0.000 0.482 287 D N 2.084 122.525 120.400 0.068 0.000 2.349 287 D HA 0.123 4.764 4.640 0.002 0.000 0.214 287 D C 0.807 177.180 176.300 0.122 0.000 1.063 287 D CA -0.057 53.998 54.000 0.091 0.000 0.847 287 D CB 0.265 41.096 40.800 0.051 0.000 0.933 287 D HN 0.617 nan 8.370 nan 0.000 0.513 288 R N 1.300 121.878 120.500 0.129 0.000 2.643 288 R HA 0.284 4.625 4.340 0.002 0.000 0.270 288 R C -2.491 173.992 176.300 0.306 0.000 1.061 288 R CA -1.165 55.022 56.100 0.146 0.000 1.107 288 R CB -0.442 29.881 30.300 0.038 0.000 0.999 288 R HN -0.135 nan 8.270 nan 0.000 0.460 289 P HA 0.091 nan 4.420 nan 0.000 0.282 289 P C -1.144 176.391 177.300 0.390 0.000 1.249 289 P CA -0.529 62.722 63.100 0.253 0.000 0.806 289 P CB 0.503 32.288 31.700 0.142 0.000 0.984 290 F N 2.480 122.532 119.950 0.171 0.000 2.427 290 F HA 0.420 4.947 4.527 0.001 0.000 0.352 290 F C 0.508 176.393 175.800 0.142 0.000 1.100 290 F CA 0.690 58.790 58.000 0.167 0.000 1.191 290 F CB 0.745 39.643 39.000 -0.170 0.000 1.128 290 F HN 0.441 nan 8.300 nan 0.000 0.533 291 T N 2.739 117.150 114.554 -0.237 0.000 2.804 291 T HA 0.339 4.690 4.350 0.002 0.000 0.290 291 T C 0.832 175.449 174.700 -0.138 0.000 1.099 291 T CA -0.893 61.219 62.100 0.019 0.000 1.011 291 T CB 0.966 69.906 68.868 0.119 0.000 1.291 291 T HN 0.614 nan 8.240 nan 0.000 0.523 292 L N 0.450 121.759 121.223 0.143 0.000 2.261 292 L HA -0.073 4.268 4.340 0.002 0.000 0.216 292 L C 1.832 178.705 176.870 0.004 0.000 1.114 292 L CA 1.266 56.179 54.840 0.121 0.000 0.777 292 L CB -0.593 41.564 42.059 0.163 0.000 0.910 292 L HN 0.679 nan 8.230 nan 0.000 0.440 293 D N -0.093 120.287 120.400 -0.033 0.000 2.263 293 D HA -0.155 4.486 4.640 0.002 0.000 0.208 293 D C 1.385 177.629 176.300 -0.094 0.000 0.971 293 D CA 0.997 54.967 54.000 -0.051 0.000 0.867 293 D CB -0.098 40.681 40.800 -0.035 0.000 0.929 293 D HN 0.371 nan 8.370 nan 0.000 0.492 294 D N -0.173 120.097 120.400 -0.216 0.000 2.339 294 D HA 0.065 4.706 4.640 0.002 0.000 0.217 294 D C 0.360 176.664 176.300 0.007 0.000 1.050 294 D CA 0.109 54.001 54.000 -0.179 0.000 0.856 294 D CB 0.970 41.505 40.800 -0.441 0.000 0.922 294 D HN 0.211 nan 8.370 nan 0.000 0.518 295 L N 0.921 122.159 121.223 0.026 0.000 2.322 295 L HA 0.220 4.561 4.340 0.002 0.000 0.281 295 L C 1.019 177.872 176.870 -0.028 0.000 1.014 295 L CA -0.535 54.378 54.840 0.122 0.000 0.815 295 L CB 2.247 44.430 42.059 0.207 0.000 1.247 295 L HN -0.386 nan 8.230 nan 0.000 0.421 296 Q N 1.689 121.421 119.800 -0.113 0.000 2.212 296 Q HA 0.133 4.474 4.340 0.002 0.000 0.199 296 Q C -1.062 174.432 176.000 -0.844 0.000 0.950 296 Q CA 1.249 56.766 55.803 -0.476 0.000 0.863 296 Q CB 0.296 28.702 28.738 -0.554 0.000 0.944 296 Q HN 0.463 nan 8.270 nan 0.000 0.465 297 Y N -1.477 118.835 120.300 0.020 0.000 2.553 297 Y HA 0.611 5.161 4.550 0.001 0.000 0.347 297 Y C -0.880 175.016 175.900 -0.006 0.000 1.019 297 Y CA -1.422 56.677 58.100 -0.001 0.000 1.032 297 Y CB 1.638 40.081 38.460 -0.028 0.000 1.284 297 Y HN -0.148 nan 8.280 nan 0.000 0.466 298 M N 4.582 124.259 119.600 0.128 0.000 2.206 298 M HA 0.613 5.094 4.480 0.002 0.000 0.272 298 M C -1.971 174.276 176.300 -0.089 0.000 1.012 298 M CA -0.671 54.599 55.300 -0.050 0.000 0.986 298 M CB 1.247 33.853 32.600 0.010 0.000 1.740 298 M HN 0.542 nan 8.290 nan 0.000 0.472 299 I N 0.456 120.854 120.570 -0.288 0.000 2.740 299 I HA 0.831 5.002 4.170 0.002 0.000 0.303 299 I C -1.641 174.269 176.117 -0.344 0.000 1.044 299 I CA -0.677 60.538 61.300 -0.141 0.000 1.064 299 I CB 2.078 40.031 38.000 -0.078 0.000 1.249 299 I HN 0.627 nan 8.210 nan 0.000 0.433 300 F N 1.115 121.075 119.950 0.018 0.000 2.599 300 F HA 0.363 4.891 4.527 0.003 0.000 0.311 300 F C 0.020 175.887 175.800 0.112 0.000 1.076 300 F CA -0.906 57.172 58.000 0.131 0.000 0.937 300 F CB 1.373 40.514 39.000 0.236 0.000 1.282 300 F HN 0.623 nan 8.300 nan 0.000 0.460 301 H N 0.816 120.059 119.070 0.288 0.000 3.125 301 H HA 0.181 4.738 4.556 0.001 0.000 0.310 301 H C -0.759 174.769 175.328 0.333 0.000 0.980 301 H CA 0.508 56.707 56.048 0.252 0.000 1.422 301 H CB 0.458 30.366 29.762 0.243 0.000 1.432 301 H HN 0.504 nan 8.280 nan 0.000 0.577 302 T N 9.690 123.973 114.554 -0.452 0.000 3.060 302 T HA 0.155 4.506 4.350 0.002 0.000 0.367 302 T C -1.846 172.612 174.700 -0.404 0.000 1.229 302 T CA -1.101 60.799 62.100 -0.334 0.000 1.104 302 T CB 1.271 70.067 68.868 -0.121 0.000 1.083 302 T HN 0.627 nan 8.240 nan 0.000 0.524 303 P HA 0.077 nan 4.420 nan 0.000 0.222 303 P C -0.004 177.388 177.300 0.154 0.000 1.153 303 P CA 0.685 63.756 63.100 -0.049 0.000 0.798 303 P CB 0.012 31.748 31.700 0.060 0.000 0.796 304 F N -5.472 114.405 119.950 -0.122 0.000 2.744 304 F HA 0.379 4.907 4.527 0.002 0.000 0.311 304 F C 0.841 176.568 175.800 -0.123 0.000 1.144 304 F CA -1.202 56.733 58.000 -0.109 0.000 0.938 304 F CB -0.453 38.486 39.000 -0.101 0.000 1.292 304 F HN -0.423 nan 8.300 nan 0.000 0.444 305 C N 0.427 119.739 119.300 0.020 0.000 2.440 305 C HA -0.077 4.384 4.460 0.002 0.000 0.278 305 C C 2.719 177.643 174.990 -0.111 0.000 1.295 305 C CA 1.511 60.498 59.018 -0.052 0.000 1.738 305 C CB -0.842 26.902 27.740 0.007 0.000 1.987 305 C HN 0.973 nan 8.230 nan 0.000 0.492 306 K N 1.148 121.547 120.400 -0.001 0.000 2.103 306 K HA -0.163 4.158 4.320 0.002 0.000 0.207 306 K C 1.922 178.350 176.600 -0.286 0.000 1.048 306 K CA 1.554 57.807 56.287 -0.057 0.000 0.930 306 K CB -0.506 32.085 32.500 0.153 0.000 0.716 306 K HN 0.370 nan 8.250 nan 0.000 0.444 307 M N -0.317 118.866 119.600 -0.696 0.000 2.108 307 M HA -0.125 4.356 4.480 0.002 0.000 0.261 307 M C 1.558 177.465 176.300 -0.655 0.000 1.066 307 M CA 1.569 56.327 55.300 -0.904 0.000 1.107 307 M CB -0.164 31.485 32.600 -1.586 0.000 1.356 307 M HN 0.015 nan 8.290 nan 0.000 0.406 308 V N -0.167 119.411 119.914 -0.560 0.000 2.453 308 V HA -0.236 3.885 4.120 0.002 0.000 0.247 308 V C 2.399 178.227 176.094 -0.443 0.000 1.048 308 V CA 2.029 64.000 62.300 -0.548 0.000 1.049 308 V CB -0.896 30.730 31.823 -0.328 0.000 0.672 308 V HN 0.627 nan 8.190 nan 0.000 0.457 309 Q N 0.187 119.772 119.800 -0.357 0.000 2.096 309 Q HA -0.256 4.085 4.340 0.002 0.000 0.204 309 Q C 2.290 178.027 176.000 -0.438 0.000 0.982 309 Q CA 1.782 57.216 55.803 -0.615 0.000 0.850 309 Q CB -0.040 28.170 28.738 -0.880 0.000 0.901 309 Q HN 0.581 nan 8.270 nan 0.000 0.422 310 K N -0.466 119.713 120.400 -0.369 0.000 2.148 310 K HA -0.052 4.269 4.320 0.002 0.000 0.204 310 K C 2.180 178.628 176.600 -0.253 0.000 1.050 310 K CA 1.232 57.349 56.287 -0.283 0.000 0.942 310 K CB 0.093 32.446 32.500 -0.246 0.000 0.724 310 K HN 0.078 nan 8.250 nan 0.000 0.446 311 S N 1.332 116.826 115.700 -0.344 0.000 2.387 311 S HA -0.088 4.383 4.470 0.002 0.000 0.226 311 S C 1.769 176.259 174.600 -0.184 0.000 1.026 311 S CA 0.658 58.684 58.200 -0.290 0.000 0.972 311 S CB -0.122 62.801 63.200 -0.461 0.000 0.814 311 S HN 0.153 nan 8.310 nan 0.000 0.477 312 L N 2.077 123.165 121.223 -0.225 0.000 2.083 312 L HA 0.029 4.370 4.340 0.002 0.000 0.209 312 L C 2.348 179.243 176.870 0.042 0.000 1.083 312 L CA 1.705 56.591 54.840 0.076 0.000 0.752 312 L CB -0.983 41.201 42.059 0.209 0.000 0.899 312 L HN 0.255 nan 8.230 nan 0.000 0.433 313 A N -0.497 122.295 122.820 -0.047 0.000 1.940 313 A HA -0.265 4.056 4.320 0.002 0.000 0.219 313 A C 2.429 180.016 177.584 0.005 0.000 1.176 313 A CA 1.805 53.817 52.037 -0.041 0.000 0.631 313 A CB -0.590 18.333 19.000 -0.128 0.000 0.814 313 A HN 0.461 nan 8.150 nan 0.000 0.446 314 R N 0.020 120.513 120.500 -0.013 0.000 2.092 314 R HA 0.024 4.365 4.340 0.002 0.000 0.231 314 R C 1.843 178.186 176.300 0.072 0.000 1.119 314 R CA 1.469 57.596 56.100 0.045 0.000 0.970 314 R CB -0.744 29.558 30.300 0.003 0.000 0.864 314 R HN 0.515 nan 8.270 nan 0.000 0.440 315 L N -0.241 120.981 121.223 -0.002 0.000 2.046 315 L HA -0.133 4.208 4.340 0.002 0.000 0.208 315 L C 2.626 179.520 176.870 0.040 0.000 1.077 315 L CA 1.656 56.421 54.840 -0.126 0.000 0.747 315 L CB -0.408 41.506 42.059 -0.242 0.000 0.896 315 L HN 0.346 nan 8.230 nan 0.000 0.432 316 M N -1.040 118.632 119.600 0.120 0.000 2.159 316 M HA -0.263 4.218 4.480 0.002 0.000 0.263 316 M C 2.233 178.685 176.300 0.253 0.000 1.063 316 M CA 1.803 57.228 55.300 0.209 0.000 1.110 316 M CB -0.100 32.627 32.600 0.211 0.000 1.374 316 M HN 0.168 nan 8.290 nan 0.000 0.411 317 F N 1.265 121.248 119.950 0.056 0.000 2.186 317 F HA -0.191 4.337 4.527 0.002 0.000 0.299 317 F C 2.208 178.076 175.800 0.114 0.000 1.090 317 F CA 1.345 59.395 58.000 0.084 0.000 1.307 317 F CB -0.817 38.203 39.000 0.034 0.000 1.019 317 F HN 0.298 nan 8.300 nan 0.000 0.489 318 N N 0.663 119.424 118.700 0.101 0.000 2.120 318 N HA -0.184 4.557 4.740 0.002 0.000 0.188 318 N C 1.462 176.998 175.510 0.044 0.000 1.024 318 N CA 1.666 54.739 53.050 0.039 0.000 0.852 318 N CB -0.373 38.232 38.487 0.198 0.000 1.003 318 N HN 0.241 nan 8.380 nan 0.000 0.424 319 D N 0.029 120.521 120.400 0.154 0.000 2.104 319 D HA -0.165 4.476 4.640 0.002 0.000 0.194 319 D C 1.703 177.938 176.300 -0.108 0.000 0.994 319 D CA 0.684 54.760 54.000 0.127 0.000 0.830 319 D CB -0.600 40.357 40.800 0.262 0.000 0.959 319 D HN 0.286 nan 8.370 nan 0.000 0.452 320 F N 1.246 120.920 119.950 -0.460 0.000 2.075 320 F HA -0.113 4.415 4.527 0.001 0.000 0.297 320 F C 2.088 177.632 175.800 -0.428 0.000 1.113 320 F CA 1.221 58.763 58.000 -0.763 0.000 1.218 320 F CB -0.461 38.162 39.000 -0.629 0.000 0.984 320 F HN -0.100 nan 8.300 nan 0.000 0.472 321 L N -0.523 120.335 121.223 -0.609 0.000 2.201 321 L HA -0.162 4.179 4.340 0.002 0.000 0.212 321 L C 2.250 178.868 176.870 -0.420 0.000 1.105 321 L CA 1.203 55.649 54.840 -0.657 0.000 0.775 321 L CB -0.725 40.990 42.059 -0.574 0.000 0.913 321 L HN 0.112 nan 8.230 nan 0.000 0.440 322 S N -0.450 115.079 115.700 -0.286 0.000 2.527 322 S HA 0.183 4.654 4.470 0.002 0.000 0.222 322 S C 0.966 175.479 174.600 -0.146 0.000 0.985 322 S CA 0.180 58.276 58.200 -0.174 0.000 0.921 322 S CB -0.030 63.111 63.200 -0.099 0.000 0.772 322 S HN 0.366 nan 8.310 nan 0.000 0.529 323 A N 2.207 124.913 122.820 -0.191 0.000 2.304 323 A HA 0.580 4.901 4.320 0.002 0.000 0.271 323 A C 0.709 178.234 177.584 -0.100 0.000 1.091 323 A CA -0.540 51.443 52.037 -0.090 0.000 0.812 323 A CB 0.202 19.191 19.000 -0.018 0.000 1.056 323 A HN 0.402 nan 8.150 nan 0.000 0.489 324 S N 0.640 116.326 115.700 -0.025 0.000 2.584 324 S HA 0.146 4.617 4.470 0.002 0.000 0.270 324 S C 1.407 175.996 174.600 -0.019 0.000 1.346 324 S CA 0.208 58.395 58.200 -0.023 0.000 1.018 324 S CB 0.877 64.082 63.200 0.008 0.000 0.899 324 S HN 1.719 nan 8.310 nan 0.000 0.542 325 S N 1.289 116.975 115.700 -0.023 0.000 2.374 325 S HA -0.228 4.243 4.470 0.002 0.000 0.227 325 S C 1.252 175.876 174.600 0.040 0.000 1.037 325 S CA 1.934 60.132 58.200 -0.004 0.000 1.024 325 S CB -1.046 62.151 63.200 -0.005 0.000 0.861 325 S HN 0.787 nan 8.310 nan 0.000 0.456 326 D N 0.862 121.285 120.400 0.039 0.000 2.097 326 D HA -0.046 4.595 4.640 0.002 0.000 0.195 326 D C 2.200 178.552 176.300 0.087 0.000 0.989 326 D CA 1.858 55.891 54.000 0.054 0.000 0.827 326 D CB -1.063 39.760 40.800 0.039 0.000 0.966 326 D HN 0.499 nan 8.370 nan 0.000 0.456 327 T N 1.021 115.636 114.554 0.102 0.000 2.788 327 T HA -0.148 4.203 4.350 0.002 0.000 0.268 327 T C 1.959 176.835 174.700 0.292 0.000 1.044 327 T CA 1.006 63.205 62.100 0.164 0.000 1.139 327 T CB -0.148 68.826 68.868 0.177 0.000 0.867 327 T HN 0.255 nan 8.240 nan 0.000 0.454 328 Q N 0.580 120.545 119.800 0.275 0.000 2.061 328 Q HA -0.140 4.201 4.340 0.002 0.000 0.204 328 Q C 2.856 179.092 176.000 0.392 0.000 0.984 328 Q CA 1.930 57.993 55.803 0.433 0.000 0.846 328 Q CB -0.515 28.348 28.738 0.208 0.000 0.902 328 Q HN 0.724 nan 8.270 nan 0.000 0.421 329 T N -1.332 113.357 114.554 0.225 0.000 2.821 329 T HA -0.140 4.211 4.350 0.002 0.000 0.267 329 T C 2.131 176.906 174.700 0.124 0.000 1.046 329 T CA 1.494 63.689 62.100 0.160 0.000 1.139 329 T CB -0.373 68.555 68.868 0.101 0.000 0.871 329 T HN 0.330 nan 8.240 nan 0.000 0.454 330 S N 1.576 117.341 115.700 0.109 0.000 2.357 330 S HA 0.189 4.660 4.470 0.002 0.000 0.221 330 S C 2.327 176.932 174.600 0.008 0.000 1.031 330 S CA 1.046 59.278 58.200 0.053 0.000 0.982 330 S CB -0.942 62.282 63.200 0.040 0.000 0.853 330 S HN 0.803 nan 8.310 nan 0.000 0.458 331 L N -1.276 119.935 121.223 -0.019 0.000 2.609 331 L HA 0.605 4.946 4.340 0.002 0.000 0.230 331 L C 1.162 177.780 176.870 -0.420 0.000 1.087 331 L CA 0.113 54.789 54.840 -0.274 0.000 0.874 331 L CB -1.222 40.556 42.059 -0.470 0.000 1.114 331 L HN 0.515 nan 8.230 nan 0.000 0.488 332 Y N -1.038 119.335 120.300 0.122 0.000 2.634 332 Y HA 0.294 4.844 4.550 0.001 0.000 0.292 332 Y C 1.788 177.709 175.900 0.035 0.000 0.996 332 Y CA -0.539 57.612 58.100 0.085 0.000 1.165 332 Y CB 0.052 38.633 38.460 0.202 0.000 1.194 332 Y HN 0.035 nan 8.280 nan 0.000 0.585 333 K N -0.024 120.449 120.400 0.121 0.000 2.074 333 K HA -0.153 4.168 4.320 0.002 0.000 0.209 333 K C 2.188 178.822 176.600 0.056 0.000 1.048 333 K CA 1.369 57.708 56.287 0.088 0.000 0.926 333 K CB -0.951 31.578 32.500 0.048 0.000 0.713 333 K HN 0.789 nan 8.250 nan 0.000 0.444 334 G N -0.314 108.513 108.800 0.044 0.000 2.679 334 G HA2 -0.055 3.906 3.960 0.002 0.000 0.212 334 G HA3 -0.055 3.906 3.960 0.002 0.000 0.212 334 G C 1.159 176.092 174.900 0.056 0.000 1.137 334 G CA 0.408 45.533 45.100 0.041 0.000 0.787 334 G HN 0.420 nan 8.290 nan 0.000 0.534 335 L N -0.608 120.591 121.223 -0.040 0.000 2.664 335 L HA 0.246 4.587 4.340 0.002 0.000 0.233 335 L C 2.183 178.975 176.870 -0.129 0.000 1.113 335 L CA 0.003 54.737 54.840 -0.175 0.000 0.896 335 L CB 0.095 41.643 42.059 -0.853 0.000 1.163 335 L HN 0.171 nan 8.230 nan 0.000 0.497 336 E N 1.373 121.585 120.200 0.020 0.000 2.160 336 E HA -0.211 4.140 4.350 0.002 0.000 0.195 336 E C 2.161 178.796 176.600 0.058 0.000 0.991 336 E CA 1.203 57.721 56.400 0.198 0.000 0.810 336 E CB 0.004 29.795 29.700 0.151 0.000 0.742 336 E HN 0.494 nan 8.360 nan 0.000 0.466 337 A N 0.252 122.941 122.820 -0.219 0.000 2.178 337 A HA -0.113 4.208 4.320 0.002 0.000 0.218 337 A C 1.102 178.328 177.584 -0.597 0.000 1.157 337 A CA 0.898 52.630 52.037 -0.509 0.000 0.689 337 A CB -0.294 18.206 19.000 -0.833 0.000 0.787 337 A HN 0.177 nan 8.150 nan 0.000 0.465 338 F N -1.575 118.466 119.950 0.152 0.000 2.698 338 F HA 0.306 4.834 4.527 0.002 0.000 0.304 338 F C 1.936 177.989 175.800 0.422 0.000 1.108 338 F CA -0.302 57.832 58.000 0.223 0.000 1.263 338 F CB -0.216 38.868 39.000 0.141 0.000 1.013 338 F HN 0.138 nan 8.300 nan 0.000 0.532 339 G N 0.315 109.414 108.800 0.498 0.000 2.498 339 G HA2 -0.085 3.876 3.960 0.002 0.000 0.219 339 G HA3 -0.085 3.876 3.960 0.002 0.000 0.219 339 G C 1.762 176.775 174.900 0.189 0.000 1.119 339 G CA 0.876 46.212 45.100 0.394 0.000 0.766 339 G HN 0.507 nan 8.290 nan 0.000 0.552 340 G N -0.372 108.547 108.800 0.198 0.000 3.088 340 G HA2 0.429 4.390 3.960 0.002 0.000 0.217 340 G HA3 0.429 4.390 3.960 0.002 0.000 0.217 340 G C 0.554 175.550 174.900 0.160 0.000 1.159 340 G CA -0.418 44.758 45.100 0.127 0.000 0.760 340 G HN 0.327 nan 8.290 nan 0.000 0.550 341 L N -0.119 121.268 121.223 0.273 0.000 2.448 341 L HA 0.539 4.880 4.340 0.002 0.000 0.258 341 L C 0.091 177.122 176.870 0.268 0.000 1.104 341 L CA -1.043 53.971 54.840 0.289 0.000 0.800 341 L CB 1.039 43.323 42.059 0.375 0.000 1.241 341 L HN -0.149 nan 8.230 nan 0.000 0.472 342 K N 0.515 121.063 120.400 0.246 0.000 2.166 342 K HA 0.371 4.692 4.320 0.002 0.000 0.245 342 K C 0.849 177.636 176.600 0.311 0.000 0.967 342 K CA -0.700 55.698 56.287 0.185 0.000 0.863 342 K CB 1.773 34.339 32.500 0.109 0.000 1.107 342 K HN 0.466 nan 8.250 nan 0.000 0.436 343 L N 1.122 122.469 121.223 0.207 0.000 2.043 343 L HA -0.275 4.066 4.340 0.002 0.000 0.212 343 L C 1.611 178.603 176.870 0.203 0.000 1.075 343 L CA 1.617 56.617 54.840 0.268 0.000 0.752 343 L CB -0.258 41.870 42.059 0.115 0.000 0.891 343 L HN 0.609 nan 8.230 nan 0.000 0.432 344 E N -0.063 120.211 120.200 0.124 0.000 2.267 344 E HA -0.206 4.145 4.350 0.002 0.000 0.197 344 E C 1.602 178.237 176.600 0.057 0.000 0.998 344 E CA 1.002 57.450 56.400 0.079 0.000 0.830 344 E CB -0.253 29.486 29.700 0.065 0.000 0.751 344 E HN 0.430 nan 8.360 nan 0.000 0.491 345 D N -0.562 119.883 120.400 0.076 0.000 2.348 345 D HA -0.093 4.548 4.640 0.002 0.000 0.216 345 D C 1.779 178.028 176.300 -0.085 0.000 0.970 345 D CA 1.387 55.396 54.000 0.016 0.000 0.889 345 D CB -0.398 40.432 40.800 0.050 0.000 0.912 345 D HN 0.356 nan 8.370 nan 0.000 0.524 346 T N -3.206 111.283 114.554 -0.109 0.000 2.977 346 T HA -0.217 4.134 4.350 0.002 0.000 0.271 346 T C 2.152 176.763 174.700 -0.148 0.000 1.105 346 T CA 1.508 63.477 62.100 -0.219 0.000 1.116 346 T CB -0.996 67.751 68.868 -0.202 0.000 0.878 346 T HN 0.423 nan 8.240 nan 0.000 0.509 347 Y N 1.017 121.270 120.300 -0.079 0.000 2.503 347 Y HA 0.285 4.836 4.550 0.002 0.000 0.278 347 Y C 2.928 178.799 175.900 -0.049 0.000 1.111 347 Y CA 0.974 59.041 58.100 -0.056 0.000 1.270 347 Y CB -0.662 37.787 38.460 -0.019 0.000 1.063 347 Y HN 0.667 nan 8.280 nan 0.000 0.548 348 T N -3.248 111.278 114.554 -0.046 0.000 3.000 348 T HA 0.148 4.499 4.350 0.002 0.000 0.248 348 T C 0.305 174.977 174.700 -0.046 0.000 1.034 348 T CA 0.459 62.540 62.100 -0.032 0.000 1.060 348 T CB -0.316 68.548 68.868 -0.007 0.000 0.983 348 T HN 0.327 nan 8.240 nan 0.000 0.482 349 N N 1.425 120.078 118.700 -0.078 0.000 2.439 349 N HA 0.206 4.947 4.740 0.002 0.000 0.249 349 N C 0.745 176.173 175.510 -0.136 0.000 1.003 349 N CA -0.145 52.852 53.050 -0.089 0.000 0.942 349 N CB 1.749 40.177 38.487 -0.098 0.000 1.115 349 N HN 0.035 nan 8.380 nan 0.000 0.505 350 K N 2.255 122.601 120.400 -0.090 0.000 2.103 350 K HA -0.033 4.288 4.320 0.002 0.000 0.204 350 K C 0.897 177.426 176.600 -0.118 0.000 1.052 350 K CA 1.085 57.313 56.287 -0.098 0.000 0.945 350 K CB -0.169 32.296 32.500 -0.058 0.000 0.722 350 K HN 0.591 nan 8.250 nan 0.000 0.443 351 D N 0.542 120.895 120.400 -0.078 0.000 2.117 351 D HA -0.090 4.551 4.640 0.002 0.000 0.197 351 D C 1.862 177.989 176.300 -0.288 0.000 0.987 351 D CA 0.969 54.950 54.000 -0.033 0.000 0.829 351 D CB -0.285 40.618 40.800 0.172 0.000 0.961 351 D HN 0.114 nan 8.370 nan 0.000 0.460 352 L N 1.207 122.071 121.223 -0.598 0.000 2.027 352 L HA -0.137 4.204 4.340 0.002 0.000 0.206 352 L C 1.775 178.228 176.870 -0.696 0.000 1.074 352 L CA 1.897 56.039 54.840 -1.163 0.000 0.745 352 L CB -0.788 40.651 42.059 -1.033 0.000 0.898 352 L HN -0.133 nan 8.230 nan 0.000 0.433 353 D N -0.757 119.379 120.400 -0.440 0.000 2.116 353 D HA -0.241 4.400 4.640 0.002 0.000 0.193 353 D C 1.964 178.107 176.300 -0.261 0.000 0.998 353 D CA 1.504 55.316 54.000 -0.315 0.000 0.836 353 D CB 0.075 40.745 40.800 -0.218 0.000 0.951 353 D HN 0.138 nan 8.370 nan 0.000 0.449 354 K N 0.291 120.562 120.400 -0.216 0.000 2.057 354 K HA -0.005 4.315 4.320 0.002 0.000 0.207 354 K C 2.169 178.682 176.600 -0.146 0.000 1.049 354 K CA 1.171 57.368 56.287 -0.150 0.000 0.931 354 K CB -0.895 31.546 32.500 -0.098 0.000 0.714 354 K HN 0.275 nan 8.250 nan 0.000 0.440 355 A N 1.220 123.931 122.820 -0.183 0.000 1.933 355 A HA -0.095 4.226 4.320 0.002 0.000 0.218 355 A C 2.354 179.849 177.584 -0.149 0.000 1.175 355 A CA 1.163 53.128 52.037 -0.120 0.000 0.628 355 A CB -0.571 18.400 19.000 -0.049 0.000 0.814 355 A HN 0.180 nan 8.150 nan 0.000 0.444 356 L N -0.784 120.290 121.223 -0.247 0.000 2.072 356 L HA -0.121 4.220 4.340 0.002 0.000 0.205 356 L C 2.533 179.324 176.870 -0.131 0.000 1.079 356 L CA 0.809 55.532 54.840 -0.195 0.000 0.752 356 L CB -0.433 41.461 42.059 -0.275 0.000 0.906 356 L HN 0.370 nan 8.230 nan 0.000 0.436 357 L N -0.088 121.041 121.223 -0.157 0.000 2.046 357 L HA -0.258 4.083 4.340 0.002 0.000 0.208 357 L C 2.712 179.523 176.870 -0.099 0.000 1.077 357 L CA 1.445 56.195 54.840 -0.150 0.000 0.747 357 L CB -0.474 41.483 42.059 -0.170 0.000 0.896 357 L HN 0.275 nan 8.230 nan 0.000 0.432 358 K N 0.413 120.767 120.400 -0.077 0.000 2.026 358 K HA -0.179 4.142 4.320 0.002 0.000 0.208 358 K C 2.124 178.714 176.600 -0.017 0.000 1.048 358 K CA 1.401 57.663 56.287 -0.041 0.000 0.929 358 K CB -0.118 32.363 32.500 -0.032 0.000 0.713 358 K HN 0.240 nan 8.250 nan 0.000 0.439 359 A N 0.747 123.558 122.820 -0.014 0.000 1.972 359 A HA -0.116 4.205 4.320 0.002 0.000 0.219 359 A C 1.948 179.555 177.584 0.039 0.000 1.169 359 A CA 1.981 54.028 52.037 0.017 0.000 0.635 359 A CB -0.452 18.569 19.000 0.034 0.000 0.810 359 A HN 0.542 nan 8.150 nan 0.000 0.446 360 S N -1.571 114.147 115.700 0.030 0.000 2.556 360 S HA 0.095 4.566 4.470 0.002 0.000 0.216 360 S C 1.543 176.196 174.600 0.089 0.000 0.970 360 S CA 0.617 58.857 58.200 0.066 0.000 0.912 360 S CB 0.176 63.411 63.200 0.060 0.000 0.790 360 S HN 0.448 nan 8.310 nan 0.000 0.504 361 Q N 2.491 122.325 119.800 0.056 0.000 2.061 361 Q HA -0.149 4.192 4.340 0.002 0.000 0.204 361 Q C 1.132 177.222 176.000 0.150 0.000 0.984 361 Q CA 2.310 58.167 55.803 0.091 0.000 0.846 361 Q CB -0.528 28.235 28.738 0.043 0.000 0.902 361 Q HN 0.494 nan 8.270 nan 0.000 0.421 362 D N -0.667 119.792 120.400 0.098 0.000 2.117 362 D HA -0.155 4.486 4.640 0.002 0.000 0.197 362 D C 1.857 178.214 176.300 0.094 0.000 0.987 362 D CA 1.389 55.439 54.000 0.084 0.000 0.829 362 D CB -0.204 40.626 40.800 0.049 0.000 0.961 362 D HN 0.377 nan 8.370 nan 0.000 0.460 363 M N -0.554 119.110 119.600 0.105 0.000 2.117 363 M HA -0.117 4.364 4.480 0.002 0.000 0.262 363 M C 2.095 178.481 176.300 0.143 0.000 1.065 363 M CA 0.896 56.258 55.300 0.104 0.000 1.114 363 M CB -0.267 32.400 32.600 0.112 0.000 1.361 363 M HN -0.022 nan 8.290 nan 0.000 0.408 364 F N 1.852 121.827 119.950 0.042 0.000 2.095 364 F HA -0.262 4.266 4.527 0.002 0.000 0.298 364 F C 1.835 177.664 175.800 0.049 0.000 1.104 364 F CA 1.899 59.925 58.000 0.044 0.000 1.232 364 F CB -0.355 38.650 39.000 0.009 0.000 0.987 364 F HN 0.132 nan 8.300 nan 0.000 0.475 365 D N 0.340 120.782 120.400 0.070 0.000 2.144 365 D HA -0.161 4.480 4.640 0.002 0.000 0.199 365 D C 2.161 178.430 176.300 -0.051 0.000 0.984 365 D CA 1.431 55.413 54.000 -0.030 0.000 0.834 365 D CB -0.264 40.582 40.800 0.076 0.000 0.955 365 D HN 0.392 nan 8.370 nan 0.000 0.465 366 K N 0.114 120.517 120.400 0.005 0.000 2.137 366 K HA 0.053 4.374 4.320 0.002 0.000 0.202 366 K C 1.894 178.528 176.600 0.056 0.000 1.052 366 K CA 0.668 56.978 56.287 0.039 0.000 0.961 366 K CB 0.298 32.809 32.500 0.019 0.000 0.741 366 K HN 0.030 nan 8.250 nan 0.000 0.452 367 K N -0.694 119.715 120.400 0.015 0.000 2.348 367 K HA 0.099 4.420 4.320 0.002 0.000 0.194 367 K C 1.173 177.838 176.600 0.109 0.000 1.052 367 K CA 0.792 57.115 56.287 0.060 0.000 1.004 367 K CB 0.873 33.392 32.500 0.032 0.000 0.873 367 K HN -0.037 nan 8.250 nan 0.000 0.523 368 T N 0.015 114.522 114.554 -0.078 0.000 3.048 368 T HA 0.045 4.396 4.350 0.002 0.000 0.254 368 T C 1.437 175.911 174.700 -0.377 0.000 0.942 368 T CA -0.120 61.898 62.100 -0.136 0.000 0.931 368 T CB 0.488 69.340 68.868 -0.026 0.000 1.220 368 T HN 0.030 nan 8.240 nan 0.000 0.503 369 K N 1.949 121.916 120.400 -0.722 0.000 2.032 369 K HA -0.050 4.271 4.320 0.002 0.000 0.209 369 K C 2.364 178.788 176.600 -0.294 0.000 1.048 369 K CA 1.548 57.439 56.287 -0.660 0.000 0.927 369 K CB -0.286 31.872 32.500 -0.569 0.000 0.712 369 K HN 0.257 nan 8.250 nan 0.000 0.441 370 A N 0.832 123.474 122.820 -0.295 0.000 1.972 370 A HA -0.147 4.174 4.320 0.002 0.000 0.219 370 A C 2.022 179.521 177.584 -0.142 0.000 1.169 370 A CA 2.034 53.850 52.037 -0.368 0.000 0.635 370 A CB -0.687 17.862 19.000 -0.752 0.000 0.810 370 A HN 0.579 nan 8.150 nan 0.000 0.446 371 S N -0.494 115.162 115.700 -0.073 0.000 2.507 371 S HA 0.059 4.530 4.470 0.002 0.000 0.235 371 S C 1.350 175.968 174.600 0.029 0.000 0.988 371 S CA 0.997 59.196 58.200 -0.001 0.000 0.944 371 S CB -0.486 62.729 63.200 0.025 0.000 0.762 371 S HN 0.458 nan 8.310 nan 0.000 0.526 372 L N -0.386 120.847 121.223 0.016 0.000 2.592 372 L HA 0.277 4.618 4.340 0.002 0.000 0.227 372 L C 1.988 178.889 176.870 0.051 0.000 1.127 372 L CA 0.050 54.908 54.840 0.030 0.000 0.884 372 L CB -0.448 41.624 42.059 0.022 0.000 1.065 372 L HN 0.253 nan 8.230 nan 0.000 0.457 373 Y N 1.032 121.325 120.300 -0.012 0.000 2.097 373 Y HA -0.320 4.231 4.550 0.002 0.000 0.282 373 Y C 2.328 178.280 175.900 0.086 0.000 1.152 373 Y CA 1.967 60.099 58.100 0.053 0.000 1.136 373 Y CB 0.003 38.476 38.460 0.021 0.000 0.975 373 Y HN 0.142 nan 8.280 nan 0.000 0.498 374 L N -0.436 120.856 121.223 0.115 0.000 2.042 374 L HA -0.198 4.143 4.340 0.002 0.000 0.210 374 L C 2.341 179.158 176.870 -0.087 0.000 1.076 374 L CA 2.293 57.125 54.840 -0.013 0.000 0.749 374 L CB -1.199 40.885 42.059 0.041 0.000 0.893 374 L HN 0.182 nan 8.230 nan 0.000 0.432 375 S N -1.389 114.281 115.700 -0.050 0.000 2.368 375 S HA -0.220 4.251 4.470 0.002 0.000 0.225 375 S C 1.927 176.448 174.600 -0.132 0.000 1.030 375 S CA 1.725 59.886 58.200 -0.064 0.000 0.999 375 S CB -0.586 62.593 63.200 -0.035 0.000 0.844 375 S HN 0.666 nan 8.310 nan 0.000 0.459 376 T N 0.597 115.027 114.554 -0.207 0.000 2.995 376 T HA -0.060 4.291 4.350 0.002 0.000 0.269 376 T C 1.298 175.676 174.700 -0.537 0.000 1.091 376 T CA 0.859 62.754 62.100 -0.341 0.000 1.128 376 T CB -0.234 68.400 68.868 -0.390 0.000 0.891 376 T HN 0.477 nan 8.240 nan 0.000 0.492 377 H N -0.540 118.300 119.070 -0.384 0.000 2.575 377 H HA 0.292 4.849 4.556 0.002 0.000 0.267 377 H C 1.655 176.768 175.328 -0.359 0.000 0.966 377 H CA 0.477 56.261 56.048 -0.440 0.000 1.165 377 H CB 0.444 29.839 29.762 -0.611 0.000 1.433 377 H HN 0.354 nan 8.280 nan 0.000 0.544 378 N N -0.325 118.266 118.700 -0.181 0.000 2.272 378 N HA 0.132 4.873 4.740 0.002 0.000 0.228 378 N C 0.631 176.110 175.510 -0.052 0.000 1.206 378 N CA 0.874 53.845 53.050 -0.132 0.000 0.855 378 N CB 1.622 40.005 38.487 -0.172 0.000 1.248 378 N HN 0.374 nan 8.380 nan 0.000 0.476 379 G N 0.632 109.398 108.800 -0.056 0.000 2.548 379 G HA2 -0.213 3.748 3.960 0.002 0.000 0.208 379 G HA3 -0.213 3.748 3.960 0.002 0.000 0.208 379 G C -1.098 173.816 174.900 0.023 0.000 1.308 379 G CA -0.337 44.757 45.100 -0.010 0.000 0.924 379 G HN 0.427 nan 8.290 nan 0.000 0.540 380 N N 1.171 119.906 118.700 0.058 0.000 2.406 380 N HA 0.461 5.202 4.740 0.002 0.000 0.251 380 N C 1.206 176.731 175.510 0.026 0.000 1.069 380 N CA 0.077 53.182 53.050 0.091 0.000 0.947 380 N CB 0.261 38.865 38.487 0.195 0.000 1.111 380 N HN 0.714 nan 8.380 nan 0.000 0.497 381 M N 2.646 122.302 119.600 0.093 0.000 2.756 381 M HA 0.224 4.705 4.480 0.002 0.000 0.320 381 M C -0.383 176.054 176.300 0.228 0.000 1.245 381 M CA -0.626 54.720 55.300 0.078 0.000 0.972 381 M CB -0.018 32.655 32.600 0.122 0.000 1.327 381 M HN 0.172 nan 8.290 nan 0.000 0.505 382 Y N 0.184 120.639 120.300 0.257 0.000 2.851 382 Y HA -0.449 4.102 4.550 0.001 0.000 0.469 382 Y C 2.356 178.371 175.900 0.191 0.000 1.167 382 Y CA 2.155 60.399 58.100 0.239 0.000 2.635 382 Y CB -2.140 36.411 38.460 0.152 0.000 1.196 382 Y HN 0.588 nan 8.280 nan 0.000 0.625 383 T N -1.470 113.271 114.554 0.312 0.000 2.803 383 T HA -0.125 4.226 4.350 0.002 0.000 0.269 383 T C 1.480 176.338 174.700 0.262 0.000 1.052 383 T CA 2.299 64.511 62.100 0.187 0.000 1.136 383 T CB -0.743 68.195 68.868 0.117 0.000 0.864 383 T HN 0.663 nan 8.240 nan 0.000 0.467 384 S N 0.562 116.429 115.700 0.278 0.000 2.575 384 S HA 0.244 4.715 4.470 0.002 0.000 0.215 384 S C 1.967 176.737 174.600 0.284 0.000 0.966 384 S CA 0.323 58.709 58.200 0.309 0.000 0.911 384 S CB -0.003 63.340 63.200 0.238 0.000 0.780 384 S HN 0.477 nan 8.310 nan 0.000 0.514 385 S N 2.165 118.035 115.700 0.283 0.000 2.353 385 S HA -0.110 4.361 4.470 0.002 0.000 0.222 385 S C 1.783 176.458 174.600 0.125 0.000 1.035 385 S CA 1.388 59.719 58.200 0.219 0.000 1.025 385 S CB -0.619 62.743 63.200 0.272 0.000 0.902 385 S HN 0.517 nan 8.310 nan 0.000 0.440 386 L N 0.631 121.894 121.223 0.067 0.000 2.042 386 L HA -0.035 4.306 4.340 0.002 0.000 0.210 386 L C 1.908 178.585 176.870 -0.322 0.000 1.076 386 L CA 1.966 56.692 54.840 -0.189 0.000 0.749 386 L CB -1.005 40.795 42.059 -0.432 0.000 0.893 386 L HN 0.494 nan 8.230 nan 0.000 0.432 387 Y N -0.683 119.688 120.300 0.119 0.000 2.457 387 Y HA 0.086 4.637 4.550 0.002 0.000 0.292 387 Y C 2.452 178.400 175.900 0.080 0.000 1.125 387 Y CA 0.766 58.920 58.100 0.090 0.000 1.254 387 Y CB -0.815 37.694 38.460 0.081 0.000 1.012 387 Y HN 0.251 nan 8.280 nan 0.000 0.555 388 G N -1.026 107.880 108.800 0.176 0.000 2.422 388 G HA2 -0.219 3.742 3.960 0.002 0.000 0.218 388 G HA3 -0.219 3.742 3.960 0.002 0.000 0.218 388 G C 1.525 176.479 174.900 0.091 0.000 1.140 388 G CA 1.175 46.360 45.100 0.141 0.000 0.775 388 G HN 0.439 nan 8.290 nan 0.000 0.545 389 C N -0.234 119.099 119.300 0.054 0.000 2.457 389 C HA 0.082 4.543 4.460 0.002 0.000 0.278 389 C C 2.661 177.662 174.990 0.019 0.000 1.309 389 C CA 0.528 59.568 59.018 0.036 0.000 1.735 389 C CB -0.811 26.947 27.740 0.031 0.000 1.992 389 C HN 0.448 nan 8.230 nan 0.000 0.493 390 L N 2.104 123.330 121.223 0.005 0.000 2.046 390 L HA -0.045 4.295 4.340 0.002 0.000 0.208 390 L C 2.569 179.439 176.870 -0.001 0.000 1.077 390 L CA 2.373 57.204 54.840 -0.015 0.000 0.747 390 L CB -0.968 41.094 42.059 0.005 0.000 0.896 390 L HN 0.263 nan 8.230 nan 0.000 0.432 391 A N -1.481 121.366 122.820 0.045 0.000 1.902 391 A HA -0.195 4.126 4.320 0.002 0.000 0.217 391 A C 2.387 179.995 177.584 0.041 0.000 1.181 391 A CA 2.036 54.102 52.037 0.048 0.000 0.623 391 A CB -0.962 18.092 19.000 0.089 0.000 0.818 391 A HN 0.539 nan 8.150 nan 0.000 0.443 392 S N -0.609 115.125 115.700 0.056 0.000 2.383 392 S HA -0.122 4.349 4.470 0.002 0.000 0.227 392 S C 1.850 176.467 174.600 0.029 0.000 1.026 392 S CA 1.342 59.579 58.200 0.061 0.000 0.981 392 S CB -0.418 62.839 63.200 0.094 0.000 0.818 392 S HN 0.497 nan 8.310 nan 0.000 0.472 393 L N 1.944 123.174 121.223 0.012 0.000 2.017 393 L HA -0.024 4.317 4.340 0.002 0.000 0.208 393 L C 1.961 178.844 176.870 0.021 0.000 1.073 393 L CA 1.659 56.505 54.840 0.009 0.000 0.745 393 L CB -0.600 41.420 42.059 -0.065 0.000 0.894 393 L HN 0.269 nan 8.230 nan 0.000 0.432 394 L N -0.648 120.561 121.223 -0.024 0.000 2.131 394 L HA -0.193 4.148 4.340 0.002 0.000 0.210 394 L C 2.658 179.519 176.870 -0.015 0.000 1.092 394 L CA 1.427 56.249 54.840 -0.030 0.000 0.759 394 L CB -0.836 41.197 42.059 -0.044 0.000 0.903 394 L HN 0.539 nan 8.230 nan 0.000 0.435 395 S N -1.944 113.749 115.700 -0.011 0.000 2.428 395 S HA -0.221 4.250 4.470 0.002 0.000 0.230 395 S C 2.015 176.574 174.600 -0.068 0.000 1.014 395 S CA 0.764 58.941 58.200 -0.037 0.000 0.957 395 S CB -0.494 62.686 63.200 -0.033 0.000 0.784 395 S HN 0.525 nan 8.310 nan 0.000 0.499 396 H N 0.669 119.633 119.070 -0.178 0.000 2.431 396 H HA 0.146 4.703 4.556 0.001 0.000 0.295 396 H C 0.089 175.211 175.328 -0.344 0.000 1.038 396 H CA 0.796 56.663 56.048 -0.301 0.000 1.360 396 H CB 0.036 29.558 29.762 -0.399 0.000 1.433 396 H HN 0.434 nan 8.280 nan 0.000 0.536 397 H N 0.788 119.814 119.070 -0.073 0.000 2.502 397 H HA 0.158 4.715 4.556 0.002 0.000 0.338 397 H C 0.374 175.642 175.328 -0.100 0.000 1.155 397 H CA -0.082 55.908 56.048 -0.097 0.000 1.237 397 H CB 1.862 31.578 29.762 -0.076 0.000 1.534 397 H HN 0.264 nan 8.280 nan 0.000 0.523 398 S N 0.416 116.150 115.700 0.057 0.000 2.603 398 S HA 0.285 4.756 4.470 0.002 0.000 0.268 398 S C 1.405 176.021 174.600 0.026 0.000 1.317 398 S CA -0.276 57.933 58.200 0.016 0.000 1.012 398 S CB 1.353 64.556 63.200 0.006 0.000 0.926 398 S HN 0.733 nan 8.310 nan 0.000 0.539 399 A N 0.865 123.689 122.820 0.007 0.000 1.908 399 A HA -0.157 4.164 4.320 0.002 0.000 0.218 399 A C 2.282 179.877 177.584 0.018 0.000 1.181 399 A CA 1.960 54.001 52.037 0.006 0.000 0.627 399 A CB -1.278 17.723 19.000 0.001 0.000 0.818 399 A HN 0.937 nan 8.150 nan 0.000 0.445 400 Q N -0.317 119.496 119.800 0.021 0.000 2.124 400 Q HA -0.197 4.144 4.340 0.002 0.000 0.202 400 Q C 1.872 177.897 176.000 0.043 0.000 0.977 400 Q CA 1.975 57.795 55.803 0.028 0.000 0.850 400 Q CB -0.173 28.579 28.738 0.023 0.000 0.901 400 Q HN 0.788 nan 8.270 nan 0.000 0.429 401 E N -0.366 119.867 120.200 0.055 0.000 2.106 401 E HA -0.152 4.199 4.350 0.002 0.000 0.192 401 E C 1.813 178.461 176.600 0.080 0.000 0.984 401 E CA 1.120 57.568 56.400 0.080 0.000 0.806 401 E CB 0.005 29.785 29.700 0.134 0.000 0.750 401 E HN 0.384 nan 8.360 nan 0.000 0.458 402 L N 0.690 121.936 121.223 0.038 0.000 2.341 402 L HA 0.086 4.427 4.340 0.002 0.000 0.214 402 L C 1.105 178.024 176.870 0.082 0.000 1.115 402 L CA -0.380 54.482 54.840 0.037 0.000 0.820 402 L CB -0.236 41.783 42.059 -0.066 0.000 0.944 402 L HN -0.022 nan 8.230 nan 0.000 0.452 403 A N 0.568 123.424 122.820 0.059 0.000 2.566 403 A HA 0.302 4.623 4.320 0.002 0.000 0.245 403 A C 1.485 179.113 177.584 0.073 0.000 1.056 403 A CA 0.793 52.865 52.037 0.058 0.000 0.757 403 A CB -0.490 18.536 19.000 0.044 0.000 0.979 403 A HN 0.618 nan 8.150 nan 0.000 0.508 404 G N 1.668 110.516 108.800 0.079 0.000 2.179 404 G HA2 -0.202 3.759 3.960 0.002 0.000 0.260 404 G HA3 -0.202 3.759 3.960 0.002 0.000 0.260 404 G C 0.635 175.598 174.900 0.106 0.000 0.977 404 G CA 1.093 46.244 45.100 0.084 0.000 0.641 404 G HN 2.213 nan 8.290 nan 0.000 0.533 405 S N -0.796 114.984 115.700 0.133 0.000 2.645 405 S HA 0.682 5.153 4.470 0.002 0.000 0.266 405 S C 0.235 174.952 174.600 0.195 0.000 1.258 405 S CA -0.013 58.282 58.200 0.159 0.000 0.990 405 S CB 1.911 65.258 63.200 0.244 0.000 0.967 405 S HN 0.787 nan 8.310 nan 0.000 0.556 406 R N 0.700 121.318 120.500 0.198 0.000 2.338 406 R HA 0.552 4.893 4.340 0.002 0.000 0.317 406 R C -1.219 175.238 176.300 0.261 0.000 0.968 406 R CA -0.582 55.667 56.100 0.247 0.000 0.849 406 R CB 0.429 30.899 30.300 0.283 0.000 1.128 406 R HN 0.780 nan 8.270 nan 0.000 0.448 407 I N 4.201 124.942 120.570 0.285 0.000 2.328 407 I HA 0.301 4.472 4.170 0.002 0.000 0.287 407 I C 0.763 176.953 176.117 0.121 0.000 1.012 407 I CA -0.667 60.784 61.300 0.252 0.000 1.195 407 I CB 1.841 39.995 38.000 0.257 0.000 1.350 407 I HN 0.736 nan 8.210 nan 0.000 0.464 408 G N 4.636 113.432 108.800 -0.007 0.000 2.476 408 G HA2 0.670 4.631 3.960 0.002 0.000 0.269 408 G HA3 0.670 4.631 3.960 0.002 0.000 0.269 408 G C -0.733 173.801 174.900 -0.608 0.000 1.195 408 G CA -0.294 44.615 45.100 -0.318 0.000 0.843 408 G HN 0.739 nan 8.290 nan 0.000 0.545 409 A N 0.835 123.010 122.820 -1.076 0.000 2.427 409 A HA 0.651 4.972 4.320 0.002 0.000 0.298 409 A C -1.648 175.279 177.584 -1.094 0.000 1.036 409 A CA -0.585 50.821 52.037 -1.052 0.000 0.701 409 A CB 1.478 19.734 19.000 -1.241 0.000 1.250 409 A HN 0.936 nan 8.150 nan 0.000 0.412 410 F N 2.578 122.025 119.950 -0.839 0.000 2.449 410 F HA 0.694 5.222 4.527 0.001 0.000 0.342 410 F C 0.020 175.785 175.800 -0.059 0.000 1.127 410 F CA -0.469 57.285 58.000 -0.410 0.000 0.975 410 F CB 1.944 40.782 39.000 -0.269 0.000 1.146 410 F HN 0.464 nan 8.300 nan 0.000 0.444 411 S N 6.330 121.684 115.700 -0.576 0.000 2.454 411 S HA 0.557 5.028 4.470 0.002 0.000 0.306 411 S C -1.728 172.495 174.600 -0.629 0.000 1.100 411 S CA -0.310 57.651 58.200 -0.398 0.000 1.087 411 S CB 0.537 63.697 63.200 -0.067 0.000 1.019 411 S HN 0.651 nan 8.310 nan 0.000 0.480 412 Y N 2.624 122.564 120.300 -0.600 0.000 2.462 412 Y HA 0.685 5.236 4.550 0.002 0.000 0.346 412 Y C -0.136 175.590 175.900 -0.290 0.000 0.976 412 Y CA -0.449 57.368 58.100 -0.472 0.000 1.044 412 Y CB 1.884 40.049 38.460 -0.491 0.000 1.230 412 Y HN 0.780 nan 8.280 nan 0.000 0.455 413 G N 2.841 111.089 108.800 -0.920 0.000 2.687 413 G HA2 0.459 4.420 3.960 0.002 0.000 0.301 413 G HA3 0.459 4.420 3.960 0.002 0.000 0.301 413 G C -1.337 172.941 174.900 -1.036 0.000 1.416 413 G CA -0.832 43.821 45.100 -0.745 0.000 1.005 413 G HN 0.677 nan 8.290 nan 0.000 0.509 414 S N -0.399 114.930 115.700 -0.619 0.000 2.566 414 S HA 0.467 4.938 4.470 0.002 0.000 0.280 414 S C 1.506 176.012 174.600 -0.157 0.000 1.343 414 S CA 1.377 59.443 58.200 -0.223 0.000 1.036 414 S CB 1.113 64.375 63.200 0.105 0.000 0.866 414 S HN 2.016 nan 8.310 nan 0.000 0.526 415 G N 0.157 108.922 108.800 -0.058 0.000 2.481 415 G HA2 -0.141 3.820 3.960 0.002 0.000 0.200 415 G HA3 -0.141 3.820 3.960 0.002 0.000 0.200 415 G C -0.443 174.351 174.900 -0.178 0.000 1.012 415 G CA -0.033 44.997 45.100 -0.117 0.000 0.676 415 G HN 1.003 nan 8.290 nan 0.000 0.488 416 L N -1.854 119.257 121.223 -0.188 0.000 2.376 416 L HA 1.067 5.408 4.340 0.002 0.000 0.258 416 L C -0.355 176.293 176.870 -0.369 0.000 1.013 416 L CA -0.861 53.810 54.840 -0.282 0.000 0.822 416 L CB 1.922 43.892 42.059 -0.149 0.000 1.388 416 L HN 1.312 nan 8.230 nan 0.000 0.413 417 A N 0.904 123.394 122.820 -0.550 0.000 2.422 417 A HA 1.036 5.357 4.320 0.002 0.000 0.302 417 A C -0.813 176.277 177.584 -0.824 0.000 1.041 417 A CA 0.079 51.684 52.037 -0.721 0.000 0.708 417 A CB 1.520 19.955 19.000 -0.942 0.000 1.257 417 A HN 1.750 nan 8.150 nan 0.000 0.414 418 A N 1.010 123.505 122.820 -0.542 0.000 2.574 418 A HA 0.894 5.215 4.320 0.002 0.000 0.297 418 A C -0.604 177.070 177.584 0.150 0.000 1.062 418 A CA -0.398 51.549 52.037 -0.149 0.000 0.686 418 A CB 1.530 20.653 19.000 0.204 0.000 1.285 418 A HN 1.307 nan 8.150 nan 0.000 0.403 419 S N 0.132 116.039 115.700 0.345 0.000 2.548 419 S HA 0.654 5.125 4.470 0.002 0.000 0.276 419 S C -1.418 173.567 174.600 0.641 0.000 1.129 419 S CA -0.333 58.195 58.200 0.547 0.000 0.931 419 S CB 1.225 64.845 63.200 0.701 0.000 1.068 419 S HN 0.759 nan 8.310 nan 0.000 0.480 420 F N 4.935 125.206 119.950 0.534 0.000 2.427 420 F HA 0.764 5.292 4.527 0.001 0.000 0.346 420 F C -0.693 175.339 175.800 0.386 0.000 1.120 420 F CA -0.714 57.519 58.000 0.387 0.000 1.033 420 F CB 0.445 39.595 39.000 0.251 0.000 1.126 420 F HN 0.682 nan 8.300 nan 0.000 0.462 421 F N 2.179 122.120 119.950 -0.015 0.000 2.869 421 F HA 0.854 5.382 4.527 0.001 0.000 0.325 421 F C -1.292 174.425 175.800 -0.138 0.000 1.184 421 F CA -0.919 57.141 58.000 0.101 0.000 0.951 421 F CB 1.262 40.353 39.000 0.153 0.000 1.421 421 F HN 0.376 nan 8.300 nan 0.000 0.501 422 S N -0.385 115.321 115.700 0.011 0.000 2.570 422 S HA 0.777 5.248 4.470 0.002 0.000 0.270 422 S C -1.790 172.713 174.600 -0.162 0.000 1.149 422 S CA -0.777 57.348 58.200 -0.124 0.000 0.837 422 S CB 1.791 65.095 63.200 0.173 0.000 1.124 422 S HN 0.601 nan 8.310 nan 0.000 0.465 423 F N 0.596 120.627 119.950 0.136 0.000 2.522 423 F HA 0.780 5.307 4.527 0.000 0.000 0.324 423 F C 0.330 176.220 175.800 0.151 0.000 1.077 423 F CA -0.790 57.304 58.000 0.158 0.000 0.944 423 F CB 1.781 40.857 39.000 0.127 0.000 1.175 423 F HN 0.659 nan 8.300 nan 0.000 0.468 424 R N 1.630 122.332 120.500 0.335 0.000 2.338 424 R HA 0.648 4.989 4.340 0.002 0.000 0.317 424 R C -1.812 174.613 176.300 0.209 0.000 0.968 424 R CA -0.495 55.752 56.100 0.244 0.000 0.849 424 R CB 0.952 31.368 30.300 0.193 0.000 1.128 424 R HN 0.497 nan 8.270 nan 0.000 0.448 425 V N 3.929 123.946 119.914 0.172 0.000 2.546 425 V HA 0.233 4.354 4.120 0.002 0.000 0.284 425 V C 0.573 176.726 176.094 0.097 0.000 1.050 425 V CA -0.469 61.901 62.300 0.117 0.000 0.981 425 V CB 1.365 33.246 31.823 0.095 0.000 0.990 425 V HN 0.947 nan 8.190 nan 0.000 0.474 426 S N 3.234 118.980 115.700 0.077 0.000 2.558 426 S HA -0.039 4.432 4.470 0.002 0.000 0.287 426 S C 1.142 175.777 174.600 0.057 0.000 1.321 426 S CA -0.095 58.144 58.200 0.065 0.000 1.048 426 S CB 0.568 63.799 63.200 0.052 0.000 0.844 426 S HN 0.765 nan 8.310 nan 0.000 0.512 427 Q N 1.309 121.140 119.800 0.053 0.000 2.378 427 Q HA 0.005 4.346 4.340 0.002 0.000 0.205 427 Q C -0.042 175.979 176.000 0.036 0.000 0.954 427 Q CA 0.493 56.322 55.803 0.045 0.000 0.901 427 Q CB -0.282 28.480 28.738 0.041 0.000 0.981 427 Q HN 0.698 nan 8.270 nan 0.000 0.483 428 D N 0.183 120.604 120.400 0.034 0.000 2.365 428 D HA 0.261 4.902 4.640 0.002 0.000 0.237 428 D C -0.309 176.005 176.300 0.024 0.000 1.190 428 D CA -0.174 53.842 54.000 0.028 0.000 0.867 428 D CB 0.833 41.650 40.800 0.028 0.000 1.050 428 D HN 0.049 nan 8.370 nan 0.000 0.491 429 A N 3.310 126.143 122.820 0.021 0.000 2.564 429 A HA 0.587 4.908 4.320 0.002 0.000 0.279 429 A C 0.834 178.425 177.584 0.012 0.000 1.232 429 A CA -0.039 52.008 52.037 0.016 0.000 0.950 429 A CB 0.025 19.035 19.000 0.018 0.000 1.138 429 A HN 0.606 nan 8.150 nan 0.000 0.526 430 A N 1.161 123.988 122.820 0.012 0.000 2.466 430 A HA 0.533 4.854 4.320 0.002 0.000 0.238 430 A C -2.460 175.127 177.584 0.006 0.000 1.074 430 A CA -0.935 51.107 52.037 0.009 0.000 0.774 430 A CB -0.470 18.536 19.000 0.010 0.000 1.015 430 A HN 0.232 nan 8.150 nan 0.000 0.498 431 P HA 0.234 nan 4.420 nan 0.000 0.262 431 P C 0.987 178.288 177.300 0.001 0.000 1.182 431 P CA 1.891 64.991 63.100 -0.000 0.000 0.761 431 P CB 0.535 32.234 31.700 -0.001 0.000 0.795 432 G N 1.879 110.679 108.800 -0.000 0.000 2.199 432 G HA2 -0.255 3.706 3.960 0.002 0.000 0.254 432 G HA3 -0.255 3.706 3.960 0.002 0.000 0.254 432 G C 0.427 175.331 174.900 0.005 0.000 0.982 432 G CA 0.286 45.387 45.100 0.001 0.000 0.632 432 G HN 0.799 nan 8.290 nan 0.000 0.529 433 S N 0.515 116.220 115.700 0.007 0.000 2.589 433 S HA 0.523 4.994 4.470 0.002 0.000 0.265 433 S C -0.647 173.959 174.600 0.010 0.000 1.342 433 S CA -0.271 57.936 58.200 0.012 0.000 1.005 433 S CB 1.737 64.946 63.200 0.014 0.000 0.909 433 S HN 0.023 nan 8.310 nan 0.000 0.555 434 P HA -0.096 nan 4.420 nan 0.000 0.216 434 P C 1.619 178.922 177.300 0.005 0.000 1.150 434 P CA 0.525 63.634 63.100 0.014 0.000 0.837 434 P CB -0.043 31.674 31.700 0.027 0.000 0.786 435 L N 0.182 121.409 121.223 0.008 0.000 2.027 435 L HA -0.158 4.183 4.340 0.002 0.000 0.206 435 L C 1.963 178.829 176.870 -0.007 0.000 1.074 435 L CA 2.083 56.923 54.840 0.000 0.000 0.745 435 L CB -1.520 40.543 42.059 0.008 0.000 0.898 435 L HN -0.127 nan 8.230 nan 0.000 0.433 436 D N -0.669 119.729 120.400 -0.003 0.000 2.123 436 D HA -0.230 4.411 4.640 0.002 0.000 0.196 436 D C 2.104 178.396 176.300 -0.014 0.000 0.992 436 D CA 1.592 55.587 54.000 -0.008 0.000 0.833 436 D CB 0.033 40.830 40.800 -0.004 0.000 0.954 436 D HN 0.329 nan 8.370 nan 0.000 0.455 437 K N -0.553 119.839 120.400 -0.012 0.000 2.032 437 K HA -0.143 4.178 4.320 0.002 0.000 0.209 437 K C 2.102 178.688 176.600 -0.024 0.000 1.048 437 K CA 0.991 57.267 56.287 -0.018 0.000 0.927 437 K CB -0.314 32.177 32.500 -0.015 0.000 0.712 437 K HN 0.173 nan 8.250 nan 0.000 0.441 438 L N 1.078 122.287 121.223 -0.025 0.000 2.017 438 L HA -0.162 4.179 4.340 0.002 0.000 0.208 438 L C 2.065 178.915 176.870 -0.033 0.000 1.073 438 L CA 1.504 56.325 54.840 -0.032 0.000 0.745 438 L CB -0.400 41.638 42.059 -0.036 0.000 0.894 438 L HN -0.095 nan 8.230 nan 0.000 0.432 439 V N -0.949 118.946 119.914 -0.031 0.000 2.295 439 V HA -0.297 3.824 4.120 0.002 0.000 0.246 439 V C 2.776 178.852 176.094 -0.031 0.000 1.049 439 V CA 1.926 64.207 62.300 -0.031 0.000 1.024 439 V CB -0.877 30.930 31.823 -0.027 0.000 0.648 439 V HN 0.657 nan 8.190 nan 0.000 0.447 440 S N 0.651 116.333 115.700 -0.029 0.000 2.383 440 S HA -0.223 4.248 4.470 0.002 0.000 0.229 440 S C 2.211 176.792 174.600 -0.031 0.000 1.030 440 S CA 2.078 60.260 58.200 -0.031 0.000 1.002 440 S CB -0.472 62.712 63.200 -0.027 0.000 0.829 440 S HN 0.838 nan 8.310 nan 0.000 0.467 441 S N 0.167 115.849 115.700 -0.030 0.000 2.500 441 S HA -0.075 4.396 4.470 0.002 0.000 0.239 441 S C 1.632 176.217 174.600 -0.025 0.000 0.989 441 S CA 1.464 59.646 58.200 -0.030 0.000 0.951 441 S CB -0.848 62.334 63.200 -0.031 0.000 0.759 441 S HN 0.771 nan 8.310 nan 0.000 0.523 442 T N -2.799 111.741 114.554 -0.023 0.000 3.054 442 T HA 0.305 4.656 4.350 0.002 0.000 0.255 442 T C 1.547 176.233 174.700 -0.022 0.000 1.035 442 T CA 0.335 62.427 62.100 -0.012 0.000 0.941 442 T CB -0.217 68.647 68.868 -0.007 0.000 1.026 442 T HN 0.248 nan 8.240 nan 0.000 0.533 443 S N 2.867 118.545 115.700 -0.036 0.000 2.419 443 S HA -0.083 4.388 4.470 0.002 0.000 0.233 443 S C 1.590 176.158 174.600 -0.054 0.000 1.016 443 S CA 1.411 59.579 58.200 -0.053 0.000 0.974 443 S CB -0.357 62.810 63.200 -0.056 0.000 0.786 443 S HN 0.883 nan 8.310 nan 0.000 0.492 444 D N 1.029 121.407 120.400 -0.037 0.000 2.319 444 D HA 0.059 4.700 4.640 0.002 0.000 0.230 444 D C 1.486 177.781 176.300 -0.007 0.000 1.094 444 D CA -0.138 53.843 54.000 -0.032 0.000 0.856 444 D CB -0.349 40.431 40.800 -0.033 0.000 0.915 444 D HN 0.235 nan 8.370 nan 0.000 0.517 445 L N 1.017 122.244 121.223 0.007 0.000 2.013 445 L HA -0.047 4.294 4.340 0.002 0.000 0.212 445 L C -0.775 176.132 176.870 0.062 0.000 1.073 445 L CA 2.112 56.995 54.840 0.073 0.000 0.753 445 L CB -1.380 40.726 42.059 0.080 0.000 0.890 445 L HN -0.016 nan 8.230 nan 0.000 0.432 446 P HA -0.159 nan 4.420 nan 0.000 0.217 446 P C 1.363 178.658 177.300 -0.008 0.000 1.150 446 P CA 1.646 64.725 63.100 -0.035 0.000 0.832 446 P CB -0.038 31.516 31.700 -0.243 0.000 0.787 447 K N -0.350 120.042 120.400 -0.014 0.000 2.057 447 K HA -0.109 4.212 4.320 0.002 0.000 0.207 447 K C 2.264 178.890 176.600 0.043 0.000 1.049 447 K CA 1.300 57.590 56.287 0.005 0.000 0.931 447 K CB -0.275 32.220 32.500 -0.009 0.000 0.714 447 K HN 0.065 nan 8.250 nan 0.000 0.440 448 R N 0.765 121.302 120.500 0.063 0.000 2.081 448 R HA -0.080 4.261 4.340 0.002 0.000 0.235 448 R C 2.383 178.834 176.300 0.251 0.000 1.131 448 R CA 1.188 57.353 56.100 0.108 0.000 0.960 448 R CB -0.445 29.928 30.300 0.123 0.000 0.856 448 R HN 0.135 nan 8.270 nan 0.000 0.436 449 L N 0.169 121.485 121.223 0.155 0.000 2.042 449 L HA -0.172 4.169 4.340 0.002 0.000 0.210 449 L C 2.587 179.479 176.870 0.037 0.000 1.076 449 L CA 1.304 56.119 54.840 -0.042 0.000 0.749 449 L CB -0.504 41.397 42.059 -0.264 0.000 0.893 449 L HN 0.258 nan 8.230 nan 0.000 0.432 450 A N -0.418 122.425 122.820 0.038 0.000 2.067 450 A HA -0.152 4.169 4.320 0.002 0.000 0.219 450 A C 2.402 180.072 177.584 0.145 0.000 1.158 450 A CA 1.521 53.593 52.037 0.058 0.000 0.661 450 A CB -0.506 18.512 19.000 0.030 0.000 0.801 450 A HN 0.513 nan 8.150 nan 0.000 0.452 451 S N -0.559 115.258 115.700 0.196 0.000 2.562 451 S HA 0.114 4.585 4.470 0.002 0.000 0.221 451 S C 0.909 175.706 174.600 0.329 0.000 0.975 451 S CA -0.417 57.930 58.200 0.245 0.000 0.918 451 S CB -0.192 63.158 63.200 0.251 0.000 0.772 451 S HN 0.556 nan 8.310 nan 0.000 0.531 452 R N 1.162 121.888 120.500 0.375 0.000 2.707 452 R HA 0.366 4.707 4.340 0.002 0.000 0.270 452 R C -0.158 176.243 176.300 0.168 0.000 1.083 452 R CA -0.315 55.968 56.100 0.305 0.000 1.182 452 R CB 0.399 30.958 30.300 0.432 0.000 1.084 452 R HN 0.136 nan 8.270 nan 0.000 0.528 453 K N 1.471 121.839 120.400 -0.053 0.000 2.183 453 K HA 0.181 4.502 4.320 0.002 0.000 0.274 453 K C -0.347 175.936 176.600 -0.528 0.000 1.009 453 K CA -0.825 55.354 56.287 -0.180 0.000 0.888 453 K CB 0.483 32.884 32.500 -0.164 0.000 1.078 453 K HN 0.804 nan 8.250 nan 0.000 0.459 454 C N 2.614 121.574 119.300 -0.566 0.000 2.585 454 C HA 0.744 5.205 4.460 0.002 0.000 0.406 454 C C 0.274 175.056 174.990 -0.347 0.000 1.312 454 C CA -0.818 57.720 59.018 -0.799 0.000 1.924 454 C CB -0.922 26.616 27.740 -0.337 0.000 2.578 454 C HN 0.602 nan 8.230 nan 0.000 0.580 455 V N 5.348 125.113 119.914 -0.249 0.000 2.555 455 V HA 0.542 4.663 4.120 0.002 0.000 0.302 455 V C 0.706 176.789 176.094 -0.018 0.000 1.038 455 V CA -0.060 62.221 62.300 -0.032 0.000 0.887 455 V CB 1.915 33.852 31.823 0.190 0.000 0.991 455 V HN 1.173 nan 8.190 nan 0.000 0.434 456 S N 4.790 120.483 115.700 -0.013 0.000 2.573 456 S HA 0.168 4.639 4.470 0.002 0.000 0.277 456 S C -1.730 172.829 174.600 -0.069 0.000 1.346 456 S CA -0.522 57.659 58.200 -0.032 0.000 1.034 456 S CB 0.731 63.917 63.200 -0.022 0.000 0.879 456 S HN 0.582 nan 8.310 nan 0.000 0.528 457 P HA -0.062 nan 4.420 nan 0.000 0.218 457 P C 1.052 178.039 177.300 -0.522 0.000 1.148 457 P CA 1.174 64.084 63.100 -0.317 0.000 0.822 457 P CB 0.016 31.445 31.700 -0.451 0.000 0.784 458 E N -0.243 119.714 120.200 -0.404 0.000 2.031 458 E HA -0.209 4.142 4.350 0.002 0.000 0.193 458 E C 2.081 178.602 176.600 -0.131 0.000 0.994 458 E CA 1.255 57.512 56.400 -0.237 0.000 0.800 458 E CB -0.721 28.960 29.700 -0.031 0.000 0.752 458 E HN 0.396 nan 8.360 nan 0.000 0.447 459 E N -0.391 119.769 120.200 -0.068 0.000 2.106 459 E HA -0.187 4.164 4.350 0.002 0.000 0.192 459 E C 1.845 178.417 176.600 -0.046 0.000 0.984 459 E CA 0.714 57.100 56.400 -0.023 0.000 0.806 459 E CB -0.163 29.551 29.700 0.024 0.000 0.750 459 E HN 0.285 nan 8.360 nan 0.000 0.458 460 F N 1.476 121.275 119.950 -0.252 0.000 2.126 460 F HA -0.200 4.328 4.527 0.001 0.000 0.299 460 F C 2.128 177.703 175.800 -0.375 0.000 1.096 460 F CA 2.073 59.772 58.000 -0.501 0.000 1.255 460 F CB -0.780 37.843 39.000 -0.628 0.000 0.997 460 F HN -0.067 nan 8.300 nan 0.000 0.479 461 T N 0.314 114.539 114.554 -0.549 0.000 2.746 461 T HA -0.149 4.202 4.350 0.002 0.000 0.267 461 T C 2.146 176.663 174.700 -0.305 0.000 1.039 461 T CA 1.917 63.711 62.100 -0.509 0.000 1.142 461 T CB -0.815 67.926 68.868 -0.212 0.000 0.866 461 T HN 0.567 nan 8.240 nan 0.000 0.444 462 E N 1.161 121.253 120.200 -0.179 0.000 2.077 462 E HA -0.094 4.257 4.350 0.002 0.000 0.193 462 E C 2.024 178.577 176.600 -0.077 0.000 0.989 462 E CA 1.347 57.698 56.400 -0.082 0.000 0.800 462 E CB -0.991 28.691 29.700 -0.030 0.000 0.746 462 E HN 0.675 nan 8.360 nan 0.000 0.452 463 I N -0.127 120.375 120.570 -0.114 0.000 2.315 463 I HA -0.234 3.937 4.170 0.002 0.000 0.248 463 I C 2.760 178.828 176.117 -0.082 0.000 1.117 463 I CA 1.225 62.500 61.300 -0.041 0.000 1.404 463 I CB -0.206 37.843 38.000 0.081 0.000 1.071 463 I HN 0.255 nan 8.210 nan 0.000 0.419 464 M N 0.274 119.709 119.600 -0.276 0.000 2.117 464 M HA -0.174 4.307 4.480 0.002 0.000 0.262 464 M C 2.000 178.272 176.300 -0.047 0.000 1.065 464 M CA 1.676 56.854 55.300 -0.204 0.000 1.114 464 M CB -1.516 30.833 32.600 -0.419 0.000 1.361 464 M HN 0.261 nan 8.290 nan 0.000 0.408 465 N N 0.389 119.056 118.700 -0.056 0.000 2.166 465 N HA -0.186 4.555 4.740 0.002 0.000 0.186 465 N C 1.724 177.268 175.510 0.056 0.000 1.019 465 N CA 1.094 54.152 53.050 0.014 0.000 0.856 465 N CB -0.445 38.042 38.487 0.001 0.000 0.993 465 N HN 0.482 nan 8.380 nan 0.000 0.426 466 Q N 0.721 120.568 119.800 0.079 0.000 2.124 466 Q HA 0.003 4.344 4.340 0.002 0.000 0.202 466 Q C 1.959 178.105 176.000 0.244 0.000 0.977 466 Q CA 1.179 57.101 55.803 0.198 0.000 0.850 466 Q CB 0.135 28.981 28.738 0.180 0.000 0.901 466 Q HN 0.300 nan 8.270 nan 0.000 0.429 467 R N 0.064 120.644 120.500 0.133 0.000 2.091 467 R HA -0.176 4.165 4.340 0.002 0.000 0.238 467 R C 2.131 178.501 176.300 0.117 0.000 1.136 467 R CA 1.722 57.889 56.100 0.111 0.000 0.959 467 R CB -0.195 30.140 30.300 0.060 0.000 0.856 467 R HN 0.419 nan 8.270 nan 0.000 0.437 468 E N 0.184 120.438 120.200 0.089 0.000 2.077 468 E HA -0.238 4.113 4.350 0.002 0.000 0.193 468 E C 2.566 179.205 176.600 0.066 0.000 0.989 468 E CA 1.550 57.990 56.400 0.068 0.000 0.800 468 E CB -0.145 29.588 29.700 0.056 0.000 0.746 468 E HN 0.488 nan 8.360 nan 0.000 0.452 469 Q N 0.410 120.229 119.800 0.033 0.000 2.124 469 Q HA -0.129 4.212 4.340 0.002 0.000 0.202 469 Q C 1.703 177.564 176.000 -0.231 0.000 0.977 469 Q CA 1.594 57.327 55.803 -0.117 0.000 0.850 469 Q CB -0.831 27.784 28.738 -0.205 0.000 0.901 469 Q HN 0.309 nan 8.270 nan 0.000 0.429 470 F N -1.752 118.151 119.950 -0.078 0.000 2.727 470 F HA 0.212 4.740 4.527 0.002 0.000 0.302 470 F C 1.803 177.563 175.800 -0.066 0.000 1.097 470 F CA -0.729 57.160 58.000 -0.185 0.000 1.330 470 F CB 0.167 39.040 39.000 -0.212 0.000 1.084 470 F HN 0.364 nan 8.300 nan 0.000 0.578 471 Y N 0.833 121.120 120.300 -0.023 0.000 2.102 471 Y HA -0.327 4.224 4.550 0.002 0.000 0.280 471 Y C 2.246 178.006 175.900 -0.234 0.000 1.178 471 Y CA 2.104 60.089 58.100 -0.191 0.000 1.146 471 Y CB -0.509 37.687 38.460 -0.441 0.000 0.968 471 Y HN 0.135 nan 8.280 nan 0.000 0.504 472 H N -1.058 118.232 119.070 0.367 0.000 2.652 472 H HA 0.178 4.735 4.556 0.002 0.000 0.274 472 H C 0.585 175.999 175.328 0.143 0.000 1.021 472 H CA -0.151 56.079 56.048 0.302 0.000 1.187 472 H CB 0.280 30.140 29.762 0.164 0.000 1.505 472 H HN 0.043 nan 8.280 nan 0.000 0.530 473 K N 2.343 122.817 120.400 0.124 0.000 2.414 473 K HA 0.139 4.460 4.320 0.002 0.000 0.272 473 K C 0.359 177.034 176.600 0.125 0.000 0.993 473 K CA 0.103 56.369 56.287 -0.035 0.000 0.964 473 K CB 1.225 33.439 32.500 -0.476 0.000 0.925 473 K HN 0.073 nan 8.250 nan 0.000 0.487 474 V N -0.669 119.295 119.914 0.083 0.000 3.155 474 V HA 0.433 4.554 4.120 0.002 0.000 0.313 474 V C 0.335 176.577 176.094 0.247 0.000 1.162 474 V CA -1.133 61.220 62.300 0.089 0.000 1.048 474 V CB 1.643 33.379 31.823 -0.145 0.000 1.092 474 V HN 0.916 nan 8.190 nan 0.000 0.447 475 N N 0.987 119.773 118.700 0.144 0.000 2.696 475 N HA -0.194 4.547 4.740 0.002 0.000 0.256 475 N C -0.919 174.739 175.510 0.247 0.000 1.031 475 N CA 1.412 54.534 53.050 0.121 0.000 0.730 475 N CB -0.891 37.645 38.487 0.082 0.000 0.894 475 N HN 1.215 nan 8.380 nan 0.000 0.544 476 F N -2.020 117.942 119.950 0.020 0.000 2.693 476 F HA 0.651 5.179 4.527 0.002 0.000 0.309 476 F C -0.882 174.932 175.800 0.024 0.000 1.129 476 F CA -0.986 57.046 58.000 0.054 0.000 0.948 476 F CB 0.854 39.939 39.000 0.143 0.000 1.315 476 F HN -0.104 nan 8.300 nan 0.000 0.447 477 S N 2.693 118.380 115.700 -0.023 0.000 2.456 477 S HA 0.528 4.999 4.470 0.002 0.000 0.316 477 S C -2.795 171.805 174.600 -0.001 0.000 1.089 477 S CA -1.217 56.894 58.200 -0.149 0.000 1.101 477 S CB 1.181 64.358 63.200 -0.038 0.000 0.995 477 S HN 0.408 nan 8.310 nan 0.000 0.468 478 P HA 0.132 nan 4.420 nan 0.000 0.261 478 P C -2.253 175.006 177.300 -0.068 0.000 1.183 478 P CA -0.766 62.309 63.100 -0.041 0.000 0.761 478 P CB -0.323 31.341 31.700 -0.059 0.000 0.785 479 P HA 0.345 nan 4.420 nan 0.000 0.272 479 P C -0.109 177.143 177.300 -0.081 0.000 1.230 479 P CA 0.202 63.256 63.100 -0.076 0.000 0.788 479 P CB 0.770 32.426 31.700 -0.072 0.000 0.949 480 G N 0.245 109.006 108.800 -0.066 0.000 2.521 480 G HA2 0.056 4.017 3.960 0.002 0.000 0.589 480 G HA3 0.056 4.017 3.960 0.002 0.000 0.589 480 G C -1.616 173.217 174.900 -0.111 0.000 1.501 480 G CA -0.842 44.210 45.100 -0.080 0.000 0.887 480 G HN 0.638 nan 8.290 nan 0.000 0.654 481 D N 1.204 121.540 120.400 -0.106 0.000 2.339 481 D HA 0.437 5.078 4.640 0.002 0.000 0.256 481 D C 2.054 178.244 176.300 -0.183 0.000 1.214 481 D CA 0.598 54.524 54.000 -0.123 0.000 0.877 481 D CB 1.161 41.907 40.800 -0.090 0.000 1.111 481 D HN 0.673 nan 8.370 nan 0.000 0.478 482 T N 0.755 115.157 114.554 -0.254 0.000 2.977 482 T HA -0.157 4.194 4.350 0.002 0.000 0.271 482 T C 1.377 175.943 174.700 -0.224 0.000 1.105 482 T CA 0.836 62.716 62.100 -0.367 0.000 1.116 482 T CB -0.292 68.266 68.868 -0.517 0.000 0.878 482 T HN 0.445 nan 8.240 nan 0.000 0.509 483 N N 0.866 119.475 118.700 -0.153 0.000 2.453 483 N HA -0.014 4.727 4.740 0.002 0.000 0.183 483 N C 1.253 176.695 175.510 -0.113 0.000 1.041 483 N CA 0.824 53.811 53.050 -0.106 0.000 0.900 483 N CB -0.088 38.353 38.487 -0.077 0.000 0.961 483 N HN 0.401 nan 8.380 nan 0.000 0.443 484 S N 0.481 116.097 115.700 -0.141 0.000 2.603 484 S HA 0.154 4.625 4.470 0.002 0.000 0.220 484 S C 0.661 175.129 174.600 -0.220 0.000 0.967 484 S CA 0.143 58.245 58.200 -0.164 0.000 0.920 484 S CB 0.269 63.380 63.200 -0.148 0.000 0.773 484 S HN 0.192 nan 8.310 nan 0.000 0.529 485 L N 1.405 122.518 121.223 -0.185 0.000 2.357 485 L HA 0.434 4.775 4.340 0.002 0.000 0.273 485 L C -0.223 176.591 176.870 -0.093 0.000 1.080 485 L CA -0.889 53.858 54.840 -0.154 0.000 0.803 485 L CB 0.384 42.393 42.059 -0.083 0.000 1.174 485 L HN 0.080 nan 8.230 nan 0.000 0.443 486 F N 1.915 121.896 119.950 0.052 0.000 2.563 486 F HA 0.136 4.664 4.527 0.002 0.000 0.363 486 F C -1.651 174.163 175.800 0.023 0.000 1.123 486 F CA -1.763 56.265 58.000 0.046 0.000 1.307 486 F CB -0.512 38.537 39.000 0.082 0.000 1.115 486 F HN 0.210 nan 8.300 nan 0.000 0.592 487 P HA 0.126 nan 4.420 nan 0.000 0.264 487 P C 0.593 177.934 177.300 0.069 0.000 1.183 487 P CA 1.327 64.484 63.100 0.095 0.000 0.763 487 P CB 0.428 32.167 31.700 0.065 0.000 0.807 488 G N 1.393 110.192 108.800 -0.001 0.000 2.176 488 G HA2 -0.215 3.746 3.960 0.002 0.000 0.253 488 G HA3 -0.215 3.746 3.960 0.002 0.000 0.253 488 G C 0.219 175.080 174.900 -0.065 0.000 0.979 488 G CA 0.037 45.105 45.100 -0.052 0.000 0.641 488 G HN 0.590 nan 8.290 nan 0.000 0.530 489 T N 0.938 115.494 114.554 0.004 0.000 2.794 489 T HA 0.414 4.764 4.350 0.002 0.000 0.296 489 T C 0.231 174.954 174.700 0.037 0.000 0.949 489 T CA -0.082 62.034 62.100 0.027 0.000 1.101 489 T CB 0.637 69.588 68.868 0.137 0.000 0.905 489 T HN 0.291 nan 8.240 nan 0.000 0.516 490 W N 3.763 125.043 121.300 -0.033 0.000 2.170 490 W HA 0.466 5.127 4.660 0.001 0.000 0.336 490 W C 0.059 176.645 176.519 0.111 0.000 1.283 490 W CA -0.260 57.073 57.345 -0.019 0.000 1.224 490 W CB 0.328 29.712 29.460 -0.126 0.000 1.132 490 W HN 0.703 nan 8.180 nan 0.000 0.571 491 Y N 0.690 121.177 120.300 0.310 0.000 2.625 491 Y HA 0.626 5.177 4.550 0.002 0.000 0.338 491 Y C -1.333 174.747 175.900 0.301 0.000 1.123 491 Y CA -2.201 56.042 58.100 0.238 0.000 1.046 491 Y CB 0.379 38.895 38.460 0.094 0.000 1.299 491 Y HN 0.217 nan 8.280 nan 0.000 0.464 492 L N 2.840 124.251 121.223 0.313 0.000 2.385 492 L HA 0.319 4.660 4.340 0.002 0.000 0.281 492 L C 0.906 177.754 176.870 -0.036 0.000 1.106 492 L CA 0.612 55.433 54.840 -0.032 0.000 0.856 492 L CB 0.598 42.634 42.059 -0.037 0.000 1.186 492 L HN 1.001 nan 8.230 nan 0.000 0.453 493 E N 4.368 124.439 120.200 -0.214 0.000 2.140 493 E HA 0.055 4.406 4.350 0.002 0.000 0.191 493 E C 0.178 176.669 176.600 -0.182 0.000 0.973 493 E CA 0.085 56.423 56.400 -0.103 0.000 0.829 493 E CB 0.461 30.066 29.700 -0.158 0.000 0.781 493 E HN 0.666 nan 8.360 nan 0.000 0.466 494 R N -0.534 119.782 120.500 -0.307 0.000 2.644 494 R HA 0.272 4.613 4.340 0.002 0.000 0.257 494 R C -2.143 173.917 176.300 -0.401 0.000 1.082 494 R CA -0.511 55.379 56.100 -0.350 0.000 0.927 494 R CB 1.812 31.983 30.300 -0.214 0.000 1.258 494 R HN -0.072 nan 8.270 nan 0.000 0.459 495 V N 4.449 124.063 119.914 -0.500 0.000 2.347 495 V HA 0.269 4.390 4.120 0.002 0.000 0.280 495 V C -0.122 175.870 176.094 -0.170 0.000 1.021 495 V CA -0.638 61.475 62.300 -0.311 0.000 0.847 495 V CB 1.141 32.784 31.823 -0.301 0.000 0.990 495 V HN 0.896 nan 8.190 nan 0.000 0.444 496 D N 4.233 124.581 120.400 -0.088 0.000 2.447 496 D HA 0.091 4.732 4.640 0.002 0.000 0.265 496 D C 1.242 177.538 176.300 -0.007 0.000 1.250 496 D CA -0.483 53.493 54.000 -0.041 0.000 1.046 496 D CB 0.600 41.383 40.800 -0.029 0.000 1.095 496 D HN 0.471 nan 8.370 nan 0.000 0.555 497 E N -0.506 119.699 120.200 0.008 0.000 2.265 497 E HA -0.247 4.104 4.350 0.002 0.000 0.196 497 E C 0.900 177.520 176.600 0.034 0.000 0.996 497 E CA 1.157 57.568 56.400 0.019 0.000 0.832 497 E CB -0.493 29.220 29.700 0.021 0.000 0.756 497 E HN 0.498 nan 8.360 nan 0.000 0.491 498 Q N -0.358 119.471 119.800 0.049 0.000 2.204 498 Q HA 0.191 4.532 4.340 0.002 0.000 0.209 498 Q C -0.556 175.544 176.000 0.167 0.000 0.861 498 Q CA 0.185 56.039 55.803 0.085 0.000 0.971 498 Q CB -0.278 28.497 28.738 0.061 0.000 1.095 498 Q HN 0.507 nan 8.270 nan 0.000 0.486 499 H N -1.353 117.745 119.070 0.047 0.000 2.992 499 H HA -0.184 4.373 4.556 0.002 0.000 0.266 499 H C -0.651 174.694 175.328 0.029 0.000 1.200 499 H CA 0.089 56.172 56.048 0.059 0.000 1.135 499 H CB -0.322 29.487 29.762 0.079 0.000 1.282 499 H HN 0.189 nan 8.280 nan 0.000 0.351 500 R N 1.310 121.883 120.500 0.122 0.000 2.308 500 R HA 0.364 4.705 4.340 0.002 0.000 0.305 500 R C 0.039 176.331 176.300 -0.014 0.000 1.053 500 R CA -0.430 55.704 56.100 0.057 0.000 0.957 500 R CB 0.919 31.235 30.300 0.028 0.000 1.022 500 R HN 0.176 nan 8.270 nan 0.000 0.461 501 R N 1.068 121.547 120.500 -0.036 0.000 2.312 501 R HA 0.162 4.503 4.340 0.002 0.000 0.311 501 R C -0.287 175.809 176.300 -0.340 0.000 1.004 501 R CA -0.538 55.430 56.100 -0.221 0.000 0.902 501 R CB 1.560 31.741 30.300 -0.198 0.000 1.073 501 R HN 0.156 nan 8.270 nan 0.000 0.457 502 K N 3.723 123.840 120.400 -0.472 0.000 2.244 502 K HA 0.355 4.676 4.320 0.002 0.000 0.260 502 K C -1.541 174.707 176.600 -0.586 0.000 0.951 502 K CA -0.607 55.463 56.287 -0.362 0.000 0.826 502 K CB 0.827 33.210 32.500 -0.195 0.000 1.108 502 K HN 0.491 nan 8.250 nan 0.000 0.433 503 Y N 0.906 121.186 120.300 -0.035 0.000 2.487 503 Y HA 0.746 5.298 4.550 0.002 0.000 0.337 503 Y C 0.621 176.522 175.900 0.001 0.000 1.076 503 Y CA -0.508 57.583 58.100 -0.014 0.000 1.115 503 Y CB 2.536 41.044 38.460 0.079 0.000 1.235 503 Y HN 0.869 nan 8.280 nan 0.000 0.468 504 A N 2.230 124.940 122.820 -0.183 0.000 2.485 504 A HA 0.878 5.199 4.320 0.002 0.000 0.292 504 A C -1.391 175.744 177.584 -0.747 0.000 1.147 504 A CA -1.035 50.736 52.037 -0.442 0.000 0.750 504 A CB 2.081 20.744 19.000 -0.561 0.000 1.331 504 A HN 0.751 nan 8.150 nan 0.000 0.419 505 R N 0.837 120.877 120.500 -0.766 0.000 2.561 505 R HA 0.392 4.733 4.340 0.002 0.000 0.297 505 R C -0.609 175.531 176.300 -0.266 0.000 0.969 505 R CA -0.663 54.941 56.100 -0.827 0.000 0.879 505 R CB 1.393 30.715 30.300 -1.630 0.000 1.178 505 R HN 0.848 nan 8.270 nan 0.000 0.445 506 R N 4.756 125.240 120.500 -0.028 0.000 2.489 506 R HA 0.164 4.505 4.340 0.002 0.000 0.287 506 R C -2.158 174.088 176.300 -0.091 0.000 1.053 506 R CA -1.306 54.796 56.100 0.003 0.000 1.036 506 R CB 0.602 30.914 30.300 0.020 0.000 0.966 506 R HN 0.390 nan 8.270 nan 0.000 0.432 507 P HA -0.028 nan 4.420 nan 0.000 0.266 507 P C -0.747 176.519 177.300 -0.056 0.000 1.193 507 P CA 0.169 63.223 63.100 -0.077 0.000 0.770 507 P CB 0.621 32.291 31.700 -0.049 0.000 0.836 508 V N 0.000 119.879 119.914 -0.058 0.000 2.409 508 V HA 0.000 4.121 4.120 0.002 0.000 0.244 508 V CA 0.000 62.279 62.300 -0.035 0.000 1.235 508 V CB 0.000 31.813 31.823 -0.016 0.000 1.184 508 V HN 0.000 nan 8.190 nan 0.000 0.556