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 1de4_1_F DATA FIRST_RESID 122 DATA SEQUENCE LYWDDLKRKL SEKLDSTDFT STIKLLNENS YVPREAGSQK DENLALYVEN DATA SEQUENCE QFREFKLSKV WRDQHFVKIQ VKDSAQNSVI IVDKNGRLVY LVENPGGYVA DATA SEQUENCE YSKAATVTGK LVHANFGTKK DFEDLYTPVN GSIVIVRAGK ITFAEKVANA DATA SEQUENCE ESLNAIGVLI YMDQTKFPIV NAELSFFGHA HLGTGDPYTP GFPSFNHTQF DATA SEQUENCE PPSRSSGLPN IPVQTISRAA AEKLFGNMEG DcPSDWKTDS TcRMVTSESK DATA SEQUENCE NVKLTVSNVL KEIKILNIFG VIKGFVEPDH YVVVGAQRDA WGPGAAKSGV DATA SEQUENCE GTALLLKLAQ MFSDMVLKDG FQPSRSIIFA SWSAGDFGSV GATEWLEGYL DATA SEQUENCE SSLHLKAFTY INLDKAVLGT SNFKVSASPL LYTLIEKTMQ NVKHPVTGQF DATA SEQUENCE LYQDSNWASK VEKLTLDNAA FPFLAYSGIP AVSFCFCEDT DYPYLGTTMD DATA SEQUENCE TYKELIERIP ELNKVARAAA EVAGQFVIKL THDVELNLDY ERYNSQLLSF DATA SEQUENCE VRDLNQYRAD IKEMGLSLQW LYSARGDFFR ATSRLTTDFG NAEKTDRFVM DATA SEQUENCE KKLNDRVMRV EYHFLSPYVS PKESPFRHVF WGSGSHTLPA LLENLKLRKQ DATA SEQUENCE NNGAFNETLF RNQLALATWT IQGAANALSG DVWDI 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 122 L HA 0.000 nan 4.340 nan 0.000 0.249 122 L C 0.000 177.025 176.870 0.259 0.000 1.165 122 L CA 0.000 54.911 54.840 0.118 0.000 0.813 122 L CB 0.000 42.098 42.059 0.064 0.000 0.961 123 Y N -1.525 118.864 120.300 0.149 0.000 2.549 123 Y HA -0.316 4.234 4.550 0.000 0.000 0.021 123 Y C 1.088 177.013 175.900 0.043 0.000 1.755 123 Y CA 0.076 58.301 58.100 0.208 0.000 1.391 123 Y CB -0.817 37.731 38.460 0.147 0.000 2.040 123 Y HN 0.309 nan 8.280 nan 0.000 0.259 124 W N 4.037 125.384 121.300 0.078 0.000 2.283 124 W HA -0.349 4.311 4.660 0.000 0.000 0.335 124 W C 1.455 177.942 176.519 -0.054 0.000 1.313 124 W CA 2.637 59.935 57.345 -0.079 0.000 1.263 124 W CB -0.223 29.280 29.460 0.072 0.000 1.141 124 W HN 0.842 nan 8.180 nan 0.000 0.468 125 D N 0.193 120.439 120.400 -0.257 0.000 2.158 125 D HA -0.208 4.432 4.640 0.000 0.000 0.197 125 D C 1.597 177.684 176.300 -0.355 0.000 0.995 125 D CA 1.952 55.721 54.000 -0.384 0.000 0.846 125 D CB -0.597 40.145 40.800 -0.097 0.000 0.941 125 D HN 0.315 nan 8.370 nan 0.000 0.456 126 D N 0.292 120.563 120.400 -0.215 0.000 2.103 126 D HA -0.089 4.551 4.640 0.000 0.000 0.199 126 D C 2.327 178.455 176.300 -0.286 0.000 0.978 126 D CA 0.200 54.083 54.000 -0.195 0.000 0.829 126 D CB -0.016 40.722 40.800 -0.103 0.000 0.981 126 D HN 0.130 nan 8.370 nan 0.000 0.464 127 L N 1.519 122.532 121.223 -0.350 0.000 2.017 127 L HA -0.156 4.184 4.340 0.000 0.000 0.208 127 L C 2.395 178.926 176.870 -0.565 0.000 1.073 127 L CA 1.375 55.952 54.840 -0.439 0.000 0.745 127 L CB -1.248 40.536 42.059 -0.458 0.000 0.894 127 L HN 0.085 nan 8.230 nan 0.000 0.432 128 K N 0.152 120.028 120.400 -0.873 0.000 2.059 128 K HA -0.228 4.092 4.320 0.000 0.000 0.212 128 K C 2.251 178.558 176.600 -0.488 0.000 1.050 128 K CA 1.714 57.462 56.287 -0.899 0.000 0.927 128 K CB 0.020 31.787 32.500 -1.221 0.000 0.714 128 K HN 0.245 nan 8.250 nan 0.000 0.447 129 R N 0.197 120.457 120.500 -0.400 0.000 2.066 129 R HA -0.051 4.289 4.340 0.000 0.000 0.232 129 R C 2.467 178.627 176.300 -0.234 0.000 1.131 129 R CA 1.069 57.011 56.100 -0.262 0.000 0.955 129 R CB -0.178 29.997 30.300 -0.209 0.000 0.851 129 R HN 0.090 nan 8.270 nan 0.000 0.432 130 K N 1.095 121.345 120.400 -0.250 0.000 2.020 130 K HA -0.188 4.132 4.320 0.000 0.000 0.212 130 K C 2.149 178.601 176.600 -0.248 0.000 1.050 130 K CA 1.151 57.304 56.287 -0.223 0.000 0.929 130 K CB -0.671 31.692 32.500 -0.227 0.000 0.714 130 K HN 0.100 nan 8.250 nan 0.000 0.443 131 L N 1.188 122.223 121.223 -0.312 0.000 2.012 131 L HA -0.199 4.141 4.340 0.000 0.000 0.210 131 L C 2.491 179.229 176.870 -0.221 0.000 1.073 131 L CA 2.041 56.691 54.840 -0.317 0.000 0.748 131 L CB -0.975 40.883 42.059 -0.336 0.000 0.891 131 L HN 0.133 nan 8.230 nan 0.000 0.431 132 S N -0.453 115.126 115.700 -0.201 0.000 2.359 132 S HA -0.303 4.167 4.470 0.000 0.000 0.222 132 S C 1.924 176.455 174.600 -0.116 0.000 1.038 132 S CA 1.736 59.851 58.200 -0.142 0.000 1.051 132 S CB -0.566 62.550 63.200 -0.140 0.000 0.944 132 S HN 0.788 nan 8.310 nan 0.000 0.433 133 E N 0.567 120.693 120.200 -0.125 0.000 2.058 133 E HA -0.222 4.128 4.350 0.000 0.000 0.194 133 E C 2.071 178.608 176.600 -0.105 0.000 0.997 133 E CA 1.135 57.474 56.400 -0.103 0.000 0.801 133 E CB -0.389 29.249 29.700 -0.103 0.000 0.746 133 E HN 0.289 nan 8.360 nan 0.000 0.450 134 K N 0.915 121.234 120.400 -0.134 0.000 2.059 134 K HA -0.163 4.157 4.320 0.000 0.000 0.212 134 K C 2.352 178.881 176.600 -0.118 0.000 1.050 134 K CA 1.418 57.618 56.287 -0.144 0.000 0.927 134 K CB -0.574 31.808 32.500 -0.196 0.000 0.714 134 K HN 0.300 nan 8.250 nan 0.000 0.447 135 L N 0.730 121.902 121.223 -0.084 0.000 2.012 135 L HA -0.234 4.106 4.340 0.000 0.000 0.210 135 L C 1.913 178.789 176.870 0.009 0.000 1.073 135 L CA 1.590 56.432 54.840 0.003 0.000 0.748 135 L CB -0.621 41.462 42.059 0.039 0.000 0.891 135 L HN 0.169 nan 8.230 nan 0.000 0.431 136 D N -0.409 119.978 120.400 -0.021 0.000 2.228 136 D HA -0.180 4.460 4.640 0.000 0.000 0.203 136 D C 1.938 178.217 176.300 -0.035 0.000 0.988 136 D CA 1.554 55.543 54.000 -0.018 0.000 0.864 136 D CB -0.048 40.730 40.800 -0.036 0.000 0.928 136 D HN 0.347 nan 8.370 nan 0.000 0.469 137 S N -1.196 114.464 115.700 -0.067 0.000 2.572 137 S HA 0.133 4.603 4.470 0.000 0.000 0.228 137 S C 0.406 174.928 174.600 -0.131 0.000 0.963 137 S CA -0.542 57.608 58.200 -0.084 0.000 0.939 137 S CB 0.292 63.442 63.200 -0.085 0.000 0.804 137 S HN -0.121 nan 8.310 nan 0.000 0.480 138 T N 2.752 117.199 114.554 -0.178 0.000 2.795 138 T HA 0.319 4.669 4.350 0.000 0.000 0.282 138 T C -1.035 173.408 174.700 -0.428 0.000 0.980 138 T CA -0.468 61.412 62.100 -0.367 0.000 1.012 138 T CB 1.298 69.819 68.868 -0.579 0.000 0.936 138 T HN 0.184 nan 8.240 nan 0.000 0.457 139 D N 2.598 122.770 120.400 -0.380 0.000 2.467 139 D HA 0.231 4.871 4.640 0.000 0.000 0.220 139 D C 0.166 176.305 176.300 -0.268 0.000 1.103 139 D CA -0.441 53.424 54.000 -0.225 0.000 0.886 139 D CB 0.379 41.117 40.800 -0.104 0.000 1.025 139 D HN 0.393 nan 8.370 nan 0.000 0.514 140 F N 0.998 120.966 119.950 0.029 0.000 2.187 140 F HA -0.094 4.433 4.527 0.000 0.000 0.295 140 F C 2.599 178.437 175.800 0.063 0.000 1.091 140 F CA 0.505 58.534 58.000 0.048 0.000 1.308 140 F CB -0.401 38.629 39.000 0.049 0.000 1.030 140 F HN 0.262 nan 8.300 nan 0.000 0.487 141 T N -0.345 114.362 114.554 0.256 0.000 2.653 141 T HA -0.254 4.096 4.350 0.000 0.000 0.268 141 T C 2.210 176.958 174.700 0.080 0.000 1.035 141 T CA 2.025 64.252 62.100 0.213 0.000 1.154 141 T CB -0.567 68.417 68.868 0.193 0.000 0.862 141 T HN 0.199 nan 8.240 nan 0.000 0.441 142 S N 0.956 116.674 115.700 0.030 0.000 2.359 142 S HA -0.143 4.327 4.470 0.000 0.000 0.224 142 S C 2.406 176.988 174.600 -0.030 0.000 1.035 142 S CA 1.754 59.938 58.200 -0.027 0.000 1.018 142 S CB -0.753 62.434 63.200 -0.021 0.000 0.876 142 S HN 0.631 nan 8.310 nan 0.000 0.448 143 T N 2.715 117.282 114.554 0.022 0.000 2.737 143 T HA 0.048 4.398 4.350 0.000 0.000 0.265 143 T C 1.803 176.519 174.700 0.028 0.000 1.038 143 T CA 1.125 63.252 62.100 0.045 0.000 1.144 143 T CB -0.480 68.449 68.868 0.102 0.000 0.866 143 T HN 0.307 nan 8.240 nan 0.000 0.434 144 I N 1.057 121.673 120.570 0.078 0.000 2.163 144 I HA -0.213 3.957 4.170 0.000 0.000 0.243 144 I C 2.689 178.791 176.117 -0.025 0.000 1.085 144 I CA 1.442 62.803 61.300 0.102 0.000 1.347 144 I CB -0.367 37.783 38.000 0.251 0.000 1.044 144 I HN 0.197 nan 8.210 nan 0.000 0.408 145 K N 1.062 121.302 120.400 -0.268 0.000 2.097 145 K HA -0.172 4.148 4.320 0.000 0.000 0.205 145 K C 2.226 178.682 176.600 -0.240 0.000 1.050 145 K CA 0.979 56.921 56.287 -0.576 0.000 0.938 145 K CB -0.043 31.955 32.500 -0.838 0.000 0.718 145 K HN 0.243 nan 8.250 nan 0.000 0.442 146 L N 1.335 122.471 121.223 -0.145 0.000 2.191 146 L HA -0.107 4.233 4.340 0.000 0.000 0.212 146 L C 1.468 178.305 176.870 -0.055 0.000 1.103 146 L CA 1.535 56.323 54.840 -0.087 0.000 0.769 146 L CB -0.367 41.646 42.059 -0.076 0.000 0.908 146 L HN 0.295 nan 8.230 nan 0.000 0.438 147 L N -0.337 120.837 121.223 -0.082 0.000 2.599 147 L HA -0.016 4.324 4.340 0.000 0.000 0.230 147 L C 1.181 178.076 176.870 0.041 0.000 1.141 147 L CA 0.270 55.052 54.840 -0.097 0.000 0.877 147 L CB -0.324 41.669 42.059 -0.111 0.000 1.009 147 L HN 0.374 nan 8.230 nan 0.000 0.447 148 N N -0.611 118.117 118.700 0.047 0.000 2.200 148 N HA 0.095 4.835 4.740 0.000 0.000 0.224 148 N C -0.257 175.282 175.510 0.048 0.000 1.179 148 N CA -0.183 52.908 53.050 0.069 0.000 0.877 148 N CB 0.914 39.451 38.487 0.084 0.000 1.072 148 N HN 0.373 nan 8.380 nan 0.000 0.519 149 E N 0.777 121.007 120.200 0.050 0.000 2.373 149 E HA 0.135 4.485 4.350 0.000 0.000 0.263 149 E C 0.376 176.939 176.600 -0.061 0.000 1.073 149 E CA -0.457 55.931 56.400 -0.020 0.000 0.894 149 E CB 0.682 30.350 29.700 -0.053 0.000 1.008 149 E HN 0.120 nan 8.360 nan 0.000 0.420 150 N N 1.050 119.700 118.700 -0.084 0.000 2.396 150 N HA -0.191 4.549 4.740 0.000 0.000 0.191 150 N C 1.553 176.953 175.510 -0.185 0.000 1.015 150 N CA 0.850 53.839 53.050 -0.102 0.000 0.893 150 N CB -0.157 38.277 38.487 -0.089 0.000 0.956 150 N HN 0.287 nan 8.380 nan 0.000 0.445 151 S N -0.422 115.080 115.700 -0.329 0.000 2.399 151 S HA -0.090 4.380 4.470 0.000 0.000 0.231 151 S C 0.527 174.689 174.600 -0.730 0.000 1.022 151 S CA 0.939 58.754 58.200 -0.641 0.000 0.983 151 S CB 0.004 62.593 63.200 -1.018 0.000 0.803 151 S HN 0.474 nan 8.310 nan 0.000 0.480 152 Y N -0.112 120.143 120.300 -0.076 0.000 2.738 152 Y HA 0.313 4.863 4.550 0.000 0.000 0.249 152 Y C 1.311 177.182 175.900 -0.049 0.000 1.153 152 Y CA -0.531 57.530 58.100 -0.064 0.000 1.165 152 Y CB -0.664 37.747 38.460 -0.081 0.000 1.235 152 Y HN 0.011 nan 8.280 nan 0.000 0.559 153 V N -0.603 119.336 119.914 0.042 0.000 2.271 153 V HA -0.174 3.946 4.120 0.000 0.000 0.237 153 V C -1.455 174.642 176.094 0.006 0.000 1.007 153 V CA 0.547 62.857 62.300 0.017 0.000 1.007 153 V CB -1.825 29.983 31.823 -0.025 0.000 0.656 153 V HN 0.121 nan 8.190 nan 0.000 0.482 154 P HA 0.315 nan 4.420 nan 0.000 0.292 154 P C -0.837 176.449 177.300 -0.023 0.000 1.326 154 P CA -0.359 62.699 63.100 -0.069 0.000 0.787 154 P CB 0.658 32.270 31.700 -0.148 0.000 0.903 155 R N 2.117 122.624 120.500 0.012 0.000 2.860 155 R HA 0.341 4.681 4.340 0.000 0.000 0.282 155 R C -0.020 176.318 176.300 0.065 0.000 1.408 155 R CA -0.649 55.480 56.100 0.049 0.000 1.636 155 R CB 0.472 30.819 30.300 0.078 0.000 1.187 155 R HN 0.361 nan 8.270 nan 0.000 0.611 156 E N 2.235 122.468 120.200 0.055 0.000 2.384 156 E HA 0.161 4.511 4.350 0.000 0.000 0.266 156 E C -0.251 176.431 176.600 0.136 0.000 1.012 156 E CA -0.266 56.203 56.400 0.116 0.000 0.901 156 E CB 0.817 30.587 29.700 0.115 0.000 0.967 156 E HN 0.605 nan 8.360 nan 0.000 0.435 157 A N 3.282 126.224 122.820 0.204 0.000 2.584 157 A HA 0.292 4.612 4.320 0.000 0.000 0.239 157 A C 1.268 178.886 177.584 0.056 0.000 1.043 157 A CA 0.852 52.969 52.037 0.133 0.000 0.756 157 A CB -0.597 18.488 19.000 0.140 0.000 0.963 157 A HN 1.134 nan 8.150 nan 0.000 0.511 158 G N 1.464 110.291 108.800 0.044 0.000 2.225 158 G HA2 -0.195 3.765 3.960 0.000 0.000 0.254 158 G HA3 -0.195 3.765 3.960 0.000 0.000 0.254 158 G C 0.688 175.614 174.900 0.042 0.000 0.988 158 G CA 0.970 46.089 45.100 0.032 0.000 0.625 158 G HN 2.225 nan 8.290 nan 0.000 0.527 159 S N -0.240 115.490 115.700 0.050 0.000 2.614 159 S HA 0.580 5.050 4.470 0.000 0.000 0.265 159 S C 1.254 175.879 174.600 0.042 0.000 1.303 159 S CA 0.447 58.673 58.200 0.044 0.000 1.000 159 S CB 1.723 64.948 63.200 0.042 0.000 0.935 159 S HN 0.161 nan 8.310 nan 0.000 0.551 160 Q N 1.137 120.957 119.800 0.033 0.000 2.061 160 Q HA -0.110 4.230 4.340 0.000 0.000 0.204 160 Q C 2.011 178.036 176.000 0.043 0.000 0.984 160 Q CA 1.844 57.666 55.803 0.031 0.000 0.846 160 Q CB -0.543 28.204 28.738 0.016 0.000 0.902 160 Q HN 0.795 nan 8.270 nan 0.000 0.421 161 K N 0.542 120.965 120.400 0.039 0.000 2.160 161 K HA -0.196 4.124 4.320 0.000 0.000 0.206 161 K C 1.730 178.405 176.600 0.124 0.000 1.047 161 K CA 1.351 57.681 56.287 0.072 0.000 0.930 161 K CB -0.108 32.422 32.500 0.051 0.000 0.720 161 K HN 0.182 nan 8.250 nan 0.000 0.450 162 D N 1.176 121.626 120.400 0.083 0.000 2.077 162 D HA -0.193 4.447 4.640 0.000 0.000 0.196 162 D C 1.785 178.123 176.300 0.064 0.000 0.986 162 D CA 1.373 55.417 54.000 0.073 0.000 0.829 162 D CB -0.015 40.824 40.800 0.064 0.000 0.983 162 D HN 0.174 nan 8.370 nan 0.000 0.453 163 E N -0.624 119.610 120.200 0.057 0.000 2.130 163 E HA -0.215 4.135 4.350 0.000 0.000 0.196 163 E C 1.826 178.465 176.600 0.065 0.000 0.998 163 E CA 1.024 57.451 56.400 0.046 0.000 0.806 163 E CB 0.045 29.770 29.700 0.042 0.000 0.738 163 E HN 0.245 nan 8.360 nan 0.000 0.459 164 N N 0.530 119.293 118.700 0.105 0.000 2.058 164 N HA -0.169 4.571 4.740 0.000 0.000 0.191 164 N C 1.786 177.439 175.510 0.240 0.000 1.037 164 N CA 0.718 53.867 53.050 0.165 0.000 0.848 164 N CB -0.465 38.119 38.487 0.161 0.000 1.021 164 N HN 0.164 nan 8.380 nan 0.000 0.422 165 L N 1.186 122.540 121.223 0.217 0.000 2.191 165 L HA 0.017 4.357 4.340 0.000 0.000 0.212 165 L C 1.997 178.841 176.870 -0.043 0.000 1.103 165 L CA 1.169 55.977 54.840 -0.054 0.000 0.769 165 L CB -0.901 41.032 42.059 -0.211 0.000 0.908 165 L HN 0.122 nan 8.230 nan 0.000 0.438 166 A N -1.006 121.799 122.820 -0.025 0.000 1.898 166 A HA -0.135 4.185 4.320 0.000 0.000 0.216 166 A C 2.099 179.621 177.584 -0.103 0.000 1.181 166 A CA 1.695 53.679 52.037 -0.089 0.000 0.620 166 A CB -0.702 18.262 19.000 -0.059 0.000 0.819 166 A HN 0.385 nan 8.150 nan 0.000 0.442 167 L N -1.810 119.399 121.223 -0.024 0.000 2.093 167 L HA -0.114 4.226 4.340 0.000 0.000 0.208 167 L C 2.363 179.209 176.870 -0.040 0.000 1.085 167 L CA 1.763 56.587 54.840 -0.026 0.000 0.755 167 L CB -1.141 40.934 42.059 0.027 0.000 0.904 167 L HN 0.604 nan 8.230 nan 0.000 0.435 168 Y N -0.415 119.822 120.300 -0.106 0.000 2.128 168 Y HA -0.256 4.294 4.550 0.000 0.000 0.284 168 Y C 2.387 178.129 175.900 -0.264 0.000 1.154 168 Y CA 1.850 59.871 58.100 -0.132 0.000 1.149 168 Y CB -0.358 38.032 38.460 -0.116 0.000 0.976 168 Y HN -0.052 nan 8.280 nan 0.000 0.505 169 V N 0.776 120.493 119.914 -0.328 0.000 2.358 169 V HA -0.289 3.831 4.120 0.000 0.000 0.246 169 V C 2.354 177.916 176.094 -0.886 0.000 1.047 169 V CA 2.228 64.133 62.300 -0.658 0.000 1.035 169 V CB -0.765 30.707 31.823 -0.585 0.000 0.658 169 V HN 0.506 nan 8.190 nan 0.000 0.452 170 E N 0.170 120.022 120.200 -0.579 0.000 2.160 170 E HA -0.267 4.083 4.350 0.000 0.000 0.195 170 E C 2.145 178.555 176.600 -0.317 0.000 0.991 170 E CA 1.361 57.511 56.400 -0.418 0.000 0.810 170 E CB -0.132 29.443 29.700 -0.209 0.000 0.742 170 E HN 0.611 nan 8.360 nan 0.000 0.466 171 N N -0.324 118.164 118.700 -0.353 0.000 2.207 171 N HA -0.115 4.625 4.740 0.000 0.000 0.182 171 N C 1.758 177.008 175.510 -0.434 0.000 1.020 171 N CA 0.671 53.541 53.050 -0.300 0.000 0.858 171 N CB 0.135 38.475 38.487 -0.246 0.000 0.991 171 N HN 0.211 nan 8.380 nan 0.000 0.427 172 Q N 0.153 119.535 119.800 -0.697 0.000 2.135 172 Q HA -0.085 4.255 4.340 0.000 0.000 0.204 172 Q C 1.984 177.260 176.000 -1.206 0.000 0.981 172 Q CA 0.932 56.135 55.803 -1.000 0.000 0.856 172 Q CB -0.509 27.590 28.738 -1.066 0.000 0.902 172 Q HN 0.536 nan 8.270 nan 0.000 0.425 173 F N 0.648 120.096 119.950 -0.837 0.000 2.134 173 F HA -0.180 4.347 4.527 0.000 0.000 0.299 173 F C 2.567 178.174 175.800 -0.322 0.000 1.097 173 F CA 0.515 58.190 58.000 -0.542 0.000 1.264 173 F CB 0.001 38.838 39.000 -0.271 0.000 1.001 173 F HN 0.130 nan 8.300 nan 0.000 0.479 174 R N 0.435 120.899 120.500 -0.060 0.000 2.073 174 R HA -0.171 4.169 4.340 0.000 0.000 0.234 174 R C 1.956 178.236 176.300 -0.033 0.000 1.134 174 R CA 1.497 57.582 56.100 -0.024 0.000 0.952 174 R CB -0.472 29.808 30.300 -0.034 0.000 0.850 174 R HN 0.354 nan 8.270 nan 0.000 0.433 175 E N 0.195 120.324 120.200 -0.119 0.000 2.085 175 E HA -0.171 4.179 4.350 0.000 0.000 0.194 175 E C 1.668 178.377 176.600 0.181 0.000 0.994 175 E CA 1.175 57.568 56.400 -0.012 0.000 0.801 175 E CB -0.122 29.543 29.700 -0.059 0.000 0.743 175 E HN 0.397 nan 8.360 nan 0.000 0.453 176 F N 0.688 120.637 119.950 -0.002 0.000 2.641 176 F HA -0.030 4.497 4.527 0.000 0.000 0.298 176 F C 0.338 176.131 175.800 -0.012 0.000 1.146 176 F CA 0.002 57.990 58.000 -0.019 0.000 1.464 176 F CB -0.126 38.844 39.000 -0.049 0.000 1.101 176 F HN -0.187 nan 8.300 nan 0.000 0.585 177 K N 1.787 122.286 120.400 0.166 0.000 4.868 177 K HA -0.181 4.139 4.320 0.000 0.000 0.314 177 K C -0.813 175.843 176.600 0.094 0.000 0.932 177 K CA -0.013 56.335 56.287 0.101 0.000 0.998 177 K CB -1.560 30.991 32.500 0.086 0.000 1.704 177 K HN 0.320 nan 8.250 nan 0.000 0.426 178 L N 0.443 121.712 121.223 0.077 0.000 2.360 178 L HA 0.209 4.549 4.340 0.000 0.000 0.271 178 L C 1.851 178.755 176.870 0.057 0.000 1.057 178 L CA -0.685 54.189 54.840 0.056 0.000 0.803 178 L CB 1.590 43.649 42.059 -0.001 0.000 1.207 178 L HN 0.297 nan 8.230 nan 0.000 0.445 179 S N 0.289 116.016 115.700 0.044 0.000 2.399 179 S HA -0.238 4.232 4.470 0.000 0.000 0.235 179 S C 0.497 175.113 174.600 0.027 0.000 1.063 179 S CA 1.737 59.944 58.200 0.013 0.000 1.070 179 S CB -0.215 62.973 63.200 -0.019 0.000 0.904 179 S HN 0.620 nan 8.310 nan 0.000 0.456 180 K N -0.827 119.622 120.400 0.082 0.000 2.598 180 K HA 0.485 4.805 4.320 0.000 0.000 0.271 180 K C -2.174 174.609 176.600 0.306 0.000 0.947 180 K CA -0.492 55.872 56.287 0.129 0.000 0.854 180 K CB 2.040 34.554 32.500 0.022 0.000 1.401 180 K HN -0.068 nan 8.250 nan 0.000 0.415 181 V N 5.000 125.123 119.914 0.349 0.000 2.569 181 V HA 0.867 4.987 4.120 0.000 0.000 0.301 181 V C -1.901 174.500 176.094 0.511 0.000 1.044 181 V CA -0.146 62.417 62.300 0.438 0.000 0.874 181 V CB 0.732 32.725 31.823 0.284 0.000 1.002 181 V HN 0.842 nan 8.190 nan 0.000 0.424 182 W N 6.282 127.683 121.300 0.168 0.000 3.060 182 W HA 0.894 5.554 4.660 0.000 0.000 0.346 182 W C -1.076 175.604 176.519 0.269 0.000 1.194 182 W CA -1.102 56.336 57.345 0.154 0.000 1.105 182 W CB 1.186 30.695 29.460 0.082 0.000 1.487 182 W HN 0.779 nan 8.180 nan 0.000 0.592 183 R N 1.289 121.945 120.500 0.261 0.000 2.698 183 R HA 0.507 4.847 4.340 0.000 0.000 0.275 183 R C -1.720 174.781 176.300 0.335 0.000 1.001 183 R CA -0.745 55.466 56.100 0.184 0.000 0.896 183 R CB 2.312 32.670 30.300 0.096 0.000 1.218 183 R HN 0.476 nan 8.270 nan 0.000 0.462 184 D N 1.191 121.841 120.400 0.416 0.000 2.252 184 D HA 0.181 4.821 4.640 0.000 0.000 0.245 184 D C -1.157 175.290 176.300 0.245 0.000 1.009 184 D CA -0.315 53.958 54.000 0.455 0.000 0.870 184 D CB 2.323 43.587 40.800 0.773 0.000 1.251 184 D HN 0.489 nan 8.370 nan 0.000 0.460 185 Q N 2.458 122.347 119.800 0.148 0.000 2.310 185 Q HA 0.269 4.609 4.340 0.000 0.000 0.270 185 Q C -1.370 174.604 176.000 -0.043 0.000 1.025 185 Q CA -0.636 55.186 55.803 0.032 0.000 0.772 185 Q CB 1.185 29.937 28.738 0.024 0.000 1.253 185 Q HN 0.491 nan 8.270 nan 0.000 0.450 186 H N 3.368 122.463 119.070 0.042 0.000 2.569 186 H HA 0.366 4.922 4.556 0.000 0.000 0.357 186 H C -1.209 174.007 175.328 -0.186 0.000 1.153 186 H CA -0.550 55.514 56.048 0.026 0.000 1.193 186 H CB 1.245 31.018 29.762 0.018 0.000 1.602 186 H HN 0.599 nan 8.280 nan 0.000 0.523 187 F N 2.275 122.476 119.950 0.417 0.000 2.325 187 F HA 0.250 4.777 4.527 0.000 0.000 0.369 187 F C 0.406 176.333 175.800 0.210 0.000 1.095 187 F CA -0.773 57.380 58.000 0.256 0.000 1.082 187 F CB 1.086 40.225 39.000 0.232 0.000 1.289 187 F HN 0.206 nan 8.300 nan 0.000 0.462 188 V N 0.144 120.194 119.914 0.227 0.000 3.019 188 V HA 0.620 4.740 4.120 0.000 0.000 0.317 188 V C -0.733 175.401 176.094 0.066 0.000 1.094 188 V CA -1.255 61.127 62.300 0.136 0.000 1.000 188 V CB 2.108 33.963 31.823 0.052 0.000 1.060 188 V HN 0.524 nan 8.190 nan 0.000 0.443 189 K N 3.255 123.708 120.400 0.088 0.000 2.281 189 K HA 0.631 4.951 4.320 0.000 0.000 0.272 189 K C -0.390 176.314 176.600 0.172 0.000 1.048 189 K CA -0.337 55.985 56.287 0.059 0.000 0.898 189 K CB 1.487 33.959 32.500 -0.047 0.000 1.128 189 K HN 0.821 nan 8.250 nan 0.000 0.460 190 I N -1.383 119.187 120.570 -0.001 0.000 3.619 190 I HA 0.436 4.606 4.170 0.000 0.000 0.284 190 I C -0.575 175.508 176.117 -0.055 0.000 1.240 190 I CA -1.071 60.155 61.300 -0.124 0.000 1.016 190 I CB 1.393 38.970 38.000 -0.704 0.000 1.374 190 I HN 0.452 nan 8.210 nan 0.000 0.553 191 Q N 1.324 121.092 119.800 -0.052 0.000 2.323 191 Q HA 0.662 5.002 4.340 0.000 0.000 0.271 191 Q C -1.963 174.165 176.000 0.213 0.000 1.048 191 Q CA -0.664 55.164 55.803 0.041 0.000 0.792 191 Q CB 2.785 31.502 28.738 -0.034 0.000 1.280 191 Q HN 0.681 nan 8.270 nan 0.000 0.441 192 V N 2.339 122.259 119.914 0.010 0.000 3.126 192 V HA 0.476 4.596 4.120 0.000 0.000 0.314 192 V C -0.780 175.059 176.094 -0.426 0.000 1.138 192 V CA -1.042 61.158 62.300 -0.166 0.000 1.034 192 V CB 2.085 33.904 31.823 -0.007 0.000 1.075 192 V HN 0.826 nan 8.190 nan 0.000 0.442 193 K N 0.575 120.611 120.400 -0.607 0.000 2.249 193 K HA 0.423 4.743 4.320 0.000 0.000 0.280 193 K C -0.523 175.977 176.600 -0.166 0.000 1.033 193 K CA -0.445 55.604 56.287 -0.397 0.000 0.946 193 K CB 1.185 33.477 32.500 -0.347 0.000 1.005 193 K HN 0.660 nan 8.250 nan 0.000 0.469 194 D N 1.354 121.687 120.400 -0.112 0.000 2.369 194 D HA -0.083 4.557 4.640 0.000 0.000 0.241 194 D C 1.077 177.355 176.300 -0.036 0.000 1.271 194 D CA 0.171 54.136 54.000 -0.059 0.000 0.942 194 D CB 0.971 41.745 40.800 -0.044 0.000 1.129 194 D HN 0.602 nan 8.370 nan 0.000 0.476 195 S N 0.153 115.840 115.700 -0.021 0.000 2.442 195 S HA -0.011 4.459 4.470 0.000 0.000 0.236 195 S C 0.907 175.504 174.600 -0.004 0.000 1.007 195 S CA 0.312 58.506 58.200 -0.010 0.000 0.965 195 S CB -0.388 62.807 63.200 -0.007 0.000 0.773 195 S HN 0.593 nan 8.310 nan 0.000 0.504 196 A N 1.883 124.699 122.820 -0.007 0.000 2.328 196 A HA 0.450 4.770 4.320 0.000 0.000 0.284 196 A C 0.221 177.805 177.584 0.000 0.000 1.160 196 A CA -0.718 51.318 52.037 -0.002 0.000 0.818 196 A CB 0.225 19.223 19.000 -0.003 0.000 1.087 196 A HN 0.558 nan 8.150 nan 0.000 0.504 197 Q N 1.572 121.378 119.800 0.010 0.000 2.392 197 Q HA 0.082 4.422 4.340 0.000 0.000 0.262 197 Q C -0.235 175.774 176.000 0.015 0.000 1.003 197 Q CA 0.255 56.069 55.803 0.018 0.000 0.888 197 Q CB 0.578 29.332 28.738 0.026 0.000 1.260 197 Q HN 0.823 nan 8.270 nan 0.000 0.435 198 N N 0.091 118.803 118.700 0.021 0.000 2.493 198 N HA 0.361 5.101 4.740 0.000 0.000 0.275 198 N C -0.927 174.596 175.510 0.022 0.000 1.186 198 N CA -0.306 52.755 53.050 0.018 0.000 0.978 198 N CB 1.045 39.546 38.487 0.024 0.000 1.184 198 N HN 0.595 nan 8.380 nan 0.000 0.487 199 S N -0.624 115.086 115.700 0.015 0.000 2.565 199 S HA 0.445 4.915 4.470 0.000 0.000 0.269 199 S C -1.376 173.227 174.600 0.005 0.000 1.153 199 S CA -0.837 57.373 58.200 0.015 0.000 0.835 199 S CB 1.487 64.699 63.200 0.019 0.000 1.122 199 S HN 0.169 nan 8.310 nan 0.000 0.462 200 V N 2.304 122.218 119.914 0.001 0.000 2.407 200 V HA 0.575 4.695 4.120 0.000 0.000 0.291 200 V C -0.845 175.246 176.094 -0.006 0.000 1.018 200 V CA -0.403 61.887 62.300 -0.016 0.000 0.842 200 V CB 0.913 32.711 31.823 -0.042 0.000 0.996 200 V HN 0.873 nan 8.190 nan 0.000 0.426 201 I N 5.337 125.907 120.570 -0.000 0.000 2.608 201 I HA 0.516 4.686 4.170 0.000 0.000 0.295 201 I C -0.535 175.590 176.117 0.013 0.000 1.049 201 I CA -0.687 60.627 61.300 0.023 0.000 1.063 201 I CB 2.592 40.612 38.000 0.034 0.000 1.248 201 I HN 0.387 nan 8.210 nan 0.000 0.424 202 I N 5.449 126.040 120.570 0.034 0.000 2.395 202 I HA 0.335 4.505 4.170 0.000 0.000 0.289 202 I C -0.334 175.814 176.117 0.052 0.000 1.023 202 I CA -0.389 60.925 61.300 0.022 0.000 1.350 202 I CB 1.448 39.453 38.000 0.008 0.000 1.409 202 I HN 0.212 nan 8.210 nan 0.000 0.507 203 V N 5.371 125.304 119.914 0.032 0.000 2.960 203 V HA 0.313 4.433 4.120 0.000 0.000 0.315 203 V C -0.679 175.433 176.094 0.030 0.000 1.087 203 V CA -0.611 61.708 62.300 0.033 0.000 0.982 203 V CB 2.488 34.325 31.823 0.023 0.000 1.039 203 V HN 0.634 nan 8.190 nan 0.000 0.437 204 D N 1.146 121.563 120.400 0.028 0.000 2.175 204 D HA 0.318 4.958 4.640 0.000 0.000 0.248 204 D C 1.008 177.319 176.300 0.019 0.000 1.047 204 D CA -0.326 53.689 54.000 0.024 0.000 0.883 204 D CB 1.372 42.186 40.800 0.024 0.000 1.180 204 D HN 0.448 nan 8.370 nan 0.000 0.438 205 K N 1.211 121.622 120.400 0.017 0.000 2.476 205 K HA -0.245 4.075 4.320 0.000 0.000 0.200 205 K C 0.746 177.355 176.600 0.013 0.000 1.043 205 K CA 0.991 57.287 56.287 0.015 0.000 0.933 205 K CB -0.048 32.460 32.500 0.014 0.000 0.752 205 K HN 0.381 nan 8.250 nan 0.000 0.499 206 N N -1.156 117.552 118.700 0.013 0.000 2.205 206 N HA 0.020 4.760 4.740 0.000 0.000 0.201 206 N C 0.809 176.326 175.510 0.012 0.000 1.128 206 N CA 0.894 53.951 53.050 0.012 0.000 0.867 206 N CB 1.512 40.005 38.487 0.011 0.000 0.996 206 N HN 0.376 nan 8.380 nan 0.000 0.503 207 G N 1.060 109.868 108.800 0.014 0.000 2.176 207 G HA2 -0.205 3.755 3.960 0.000 0.000 0.232 207 G HA3 -0.205 3.755 3.960 0.000 0.000 0.232 207 G C 0.141 175.050 174.900 0.015 0.000 0.986 207 G CA -0.446 44.662 45.100 0.014 0.000 0.643 207 G HN 0.104 nan 8.290 nan 0.000 0.522 208 R N 0.178 120.687 120.500 0.016 0.000 2.623 208 R HA 0.298 4.638 4.340 0.000 0.000 0.271 208 R C 0.855 177.167 176.300 0.021 0.000 1.043 208 R CA -0.530 55.580 56.100 0.016 0.000 1.083 208 R CB 0.479 30.789 30.300 0.015 0.000 0.974 208 R HN 0.553 nan 8.270 nan 0.000 0.436 209 L N 3.268 124.503 121.223 0.020 0.000 2.483 209 L HA 0.016 4.356 4.340 0.000 0.000 0.276 209 L C 0.531 177.419 176.870 0.030 0.000 1.213 209 L CA 0.752 55.607 54.840 0.025 0.000 0.843 209 L CB 0.934 43.003 42.059 0.017 0.000 1.107 209 L HN 0.483 nan 8.230 nan 0.000 0.487 210 V N 3.336 123.281 119.914 0.051 0.000 3.163 210 V HA 0.036 4.156 4.120 0.000 0.000 0.217 210 V C 0.492 176.639 176.094 0.089 0.000 1.540 210 V CA 0.703 63.041 62.300 0.063 0.000 1.205 210 V CB -0.204 31.672 31.823 0.087 0.000 1.110 210 V HN 0.906 nan 8.190 nan 0.000 0.482 211 Y N -0.465 119.832 120.300 -0.005 0.000 2.820 211 Y HA 0.532 5.082 4.550 0.000 0.000 0.261 211 Y C 0.282 176.177 175.900 -0.008 0.000 1.123 211 Y CA 0.278 58.374 58.100 -0.008 0.000 1.217 211 Y CB 1.330 39.783 38.460 -0.012 0.000 1.432 211 Y HN 0.044 nan 8.280 nan 0.000 0.461 212 L N 0.846 122.214 121.223 0.242 0.000 3.162 212 L HA -0.200 4.140 4.340 0.000 0.000 0.673 212 L C -0.407 176.587 176.870 0.206 0.000 1.045 212 L CA 0.232 55.163 54.840 0.151 0.000 1.297 212 L CB -1.208 40.904 42.059 0.088 0.000 1.732 212 L HN 0.163 nan 8.230 nan 0.000 0.855 213 V N 1.411 121.393 119.914 0.115 0.000 2.379 213 V HA 0.083 4.203 4.120 0.000 0.000 0.245 213 V C 1.173 177.293 176.094 0.043 0.000 1.044 213 V CA 1.885 64.213 62.300 0.046 0.000 1.036 213 V CB -0.283 31.480 31.823 -0.100 0.000 0.664 213 V HN 0.897 nan 8.190 nan 0.000 0.453 214 E N -1.056 119.164 120.200 0.033 0.000 2.419 214 E HA 0.196 4.546 4.350 0.000 0.000 0.285 214 E C -1.489 175.132 176.600 0.036 0.000 1.079 214 E CA -0.482 55.939 56.400 0.036 0.000 0.864 214 E CB 1.009 30.723 29.700 0.024 0.000 1.216 214 E HN 0.329 nan 8.360 nan 0.000 0.428 215 N N 4.186 122.915 118.700 0.047 0.000 2.936 215 N HA 0.294 5.034 4.740 0.000 0.000 0.243 215 N C -2.595 172.955 175.510 0.067 0.000 1.149 215 N CA -1.569 51.511 53.050 0.049 0.000 0.914 215 N CB 1.097 39.612 38.487 0.047 0.000 1.179 215 N HN 0.160 nan 8.380 nan 0.000 0.502 216 P HA -0.058 nan 4.420 nan 0.000 0.263 216 P C 1.007 178.391 177.300 0.139 0.000 1.168 216 P CA 0.209 63.367 63.100 0.098 0.000 0.759 216 P CB 0.786 32.528 31.700 0.071 0.000 0.782 217 G N 2.679 111.590 108.800 0.186 0.000 2.430 217 G HA2 0.070 4.030 3.960 0.000 0.000 0.216 217 G HA3 0.070 4.030 3.960 0.000 0.000 0.216 217 G C 0.815 175.937 174.900 0.369 0.000 1.146 217 G CA 0.566 45.821 45.100 0.258 0.000 0.793 217 G HN 0.681 nan 8.290 nan 0.000 0.537 218 G N -1.069 107.901 108.800 0.283 0.000 2.525 218 G HA2 0.554 4.514 3.960 0.000 0.000 0.287 218 G HA3 0.554 4.514 3.960 0.000 0.000 0.287 218 G C -0.690 174.295 174.900 0.142 0.000 1.350 218 G CA -0.205 44.967 45.100 0.120 0.000 1.039 218 G HN 0.740 nan 8.290 nan 0.000 0.513 219 Y N -3.950 116.232 120.300 -0.198 0.000 2.779 219 Y HA 0.575 5.125 4.550 0.000 0.000 0.340 219 Y C -1.561 174.173 175.900 -0.276 0.000 1.252 219 Y CA -1.476 56.532 58.100 -0.152 0.000 1.072 219 Y CB 1.032 39.489 38.460 -0.006 0.000 1.343 219 Y HN 0.491 nan 8.280 nan 0.000 0.450 220 V N 2.691 122.535 119.914 -0.116 0.000 2.350 220 V HA 0.759 4.879 4.120 0.000 0.000 0.285 220 V C 0.280 176.365 176.094 -0.016 0.000 1.014 220 V CA -0.431 61.687 62.300 -0.303 0.000 0.831 220 V CB 0.723 32.432 31.823 -0.189 0.000 1.000 220 V HN 1.072 nan 8.190 nan 0.000 0.433 221 A N 4.040 126.739 122.820 -0.201 0.000 2.511 221 A HA 0.515 4.835 4.320 0.000 0.000 0.242 221 A C 0.281 177.927 177.584 0.105 0.000 1.069 221 A CA 0.412 52.492 52.037 0.073 0.000 0.763 221 A CB -0.602 18.382 19.000 -0.027 0.000 1.001 221 A HN 1.206 nan 8.150 nan 0.000 0.498 222 Y N 0.129 120.617 120.300 0.313 0.000 4.786 222 Y HA -0.243 4.307 4.550 0.000 0.000 0.243 222 Y C 1.130 177.131 175.900 0.169 0.000 1.027 222 Y CA 0.721 58.965 58.100 0.239 0.000 2.052 222 Y CB -1.937 36.672 38.460 0.248 0.000 1.578 222 Y HN 0.941 nan 8.280 nan 0.000 0.655 223 S N 1.126 116.964 115.700 0.229 0.000 2.614 223 S HA 0.329 4.799 4.470 0.000 0.000 0.265 223 S C 0.147 174.832 174.600 0.141 0.000 1.303 223 S CA -0.597 57.691 58.200 0.148 0.000 1.000 223 S CB 1.403 64.660 63.200 0.095 0.000 0.935 223 S HN 0.306 nan 8.310 nan 0.000 0.551 224 K N 1.429 121.890 120.400 0.102 0.000 2.218 224 K HA 0.490 4.810 4.320 0.000 0.000 0.276 224 K C -0.326 176.315 176.600 0.068 0.000 1.022 224 K CA -0.435 55.907 56.287 0.091 0.000 0.946 224 K CB 0.578 33.120 32.500 0.069 0.000 1.000 224 K HN 0.721 nan 8.250 nan 0.000 0.468 225 A N 2.917 125.775 122.820 0.064 0.000 2.347 225 A HA 0.571 4.891 4.320 0.000 0.000 0.287 225 A C -0.566 177.037 177.584 0.033 0.000 1.199 225 A CA 0.157 52.218 52.037 0.041 0.000 0.851 225 A CB -0.083 18.938 19.000 0.035 0.000 1.118 225 A HN 0.879 nan 8.150 nan 0.000 0.525 226 A N 1.742 124.577 122.820 0.025 0.000 2.515 226 A HA 0.800 5.120 4.320 0.000 0.000 0.292 226 A C -0.431 177.161 177.584 0.015 0.000 1.065 226 A CA 0.193 52.242 52.037 0.020 0.000 0.641 226 A CB 0.574 19.587 19.000 0.023 0.000 1.306 226 A HN 1.844 nan 8.150 nan 0.000 0.441 227 T N -0.034 114.527 114.554 0.013 0.000 2.949 227 T HA 0.653 5.003 4.350 0.000 0.000 0.300 227 T C -0.737 173.969 174.700 0.009 0.000 0.988 227 T CA 0.178 62.284 62.100 0.010 0.000 0.993 227 T CB 0.276 69.150 68.868 0.009 0.000 0.984 227 T HN 2.189 nan 8.240 nan 0.000 0.442 228 V N 1.773 121.692 119.914 0.008 0.000 3.074 228 V HA 1.040 5.160 4.120 0.000 0.000 0.314 228 V C -0.357 175.741 176.094 0.006 0.000 1.117 228 V CA -0.533 61.772 62.300 0.008 0.000 1.014 228 V CB 1.639 33.467 31.823 0.008 0.000 1.057 228 V HN 1.130 nan 8.190 nan 0.000 0.438 229 T N -0.109 114.450 114.554 0.008 0.000 2.982 229 T HA 0.897 5.247 4.350 0.000 0.000 0.321 229 T C -0.331 174.376 174.700 0.011 0.000 1.229 229 T CA 0.499 62.603 62.100 0.008 0.000 1.044 229 T CB 1.143 70.016 68.868 0.009 0.000 1.184 229 T HN 2.494 nan 8.240 nan 0.000 0.477 230 G N 2.405 111.213 108.800 0.012 0.000 2.348 230 G HA2 0.461 4.421 3.960 0.000 0.000 0.296 230 G HA3 0.461 4.421 3.960 0.000 0.000 0.296 230 G C -1.539 173.372 174.900 0.019 0.000 1.258 230 G CA -0.688 44.422 45.100 0.017 0.000 0.868 230 G HN 0.961 nan 8.290 nan 0.000 0.488 231 K N -0.544 119.872 120.400 0.027 0.000 2.237 231 K HA 0.590 4.910 4.320 0.000 0.000 0.270 231 K C -0.757 175.867 176.600 0.039 0.000 1.015 231 K CA -0.547 55.759 56.287 0.032 0.000 0.949 231 K CB 2.000 34.524 32.500 0.040 0.000 0.976 231 K HN 0.405 nan 8.250 nan 0.000 0.472 232 L N 3.606 124.853 121.223 0.040 0.000 2.272 232 L HA 0.213 4.553 4.340 0.000 0.000 0.284 232 L C -1.164 175.761 176.870 0.092 0.000 1.045 232 L CA -0.491 54.378 54.840 0.048 0.000 0.842 232 L CB 1.142 43.211 42.059 0.016 0.000 1.224 232 L HN 0.525 nan 8.230 nan 0.000 0.430 233 V N 4.153 124.134 119.914 0.113 0.000 2.644 233 V HA 0.298 4.418 4.120 0.000 0.000 0.295 233 V C -0.068 176.147 176.094 0.202 0.000 1.053 233 V CA -0.747 61.651 62.300 0.163 0.000 0.987 233 V CB 1.278 33.201 31.823 0.167 0.000 1.006 233 V HN 0.626 nan 8.190 nan 0.000 0.472 234 H N 3.206 122.375 119.070 0.167 0.000 2.597 234 H HA 0.675 5.231 4.556 0.000 0.000 0.303 234 H C -0.050 175.383 175.328 0.175 0.000 1.057 234 H CA -0.015 56.154 56.048 0.202 0.000 1.261 234 H CB 1.308 31.243 29.762 0.288 0.000 1.397 234 H HN 0.836 nan 8.280 nan 0.000 0.461 235 A N 4.153 126.966 122.820 -0.012 0.000 2.298 235 A HA 0.311 4.631 4.320 0.000 0.000 0.302 235 A C -0.110 177.244 177.584 -0.384 0.000 1.177 235 A CA -0.829 51.037 52.037 -0.285 0.000 0.912 235 A CB 0.704 19.168 19.000 -0.893 0.000 1.331 235 A HN 0.863 nan 8.150 nan 0.000 0.504 236 N N -0.775 117.503 118.700 -0.703 0.000 2.442 236 N HA 0.458 5.198 4.740 0.000 0.000 0.274 236 N C -0.564 174.601 175.510 -0.577 0.000 1.002 236 N CA -0.527 51.920 53.050 -1.004 0.000 0.910 236 N CB 0.370 37.667 38.487 -1.984 0.000 1.244 236 N HN 0.641 nan 8.380 nan 0.000 0.492 237 F N 2.196 121.932 119.950 -0.357 0.000 2.742 237 F HA -0.352 4.175 4.527 0.000 0.000 0.470 237 F C 1.477 177.171 175.800 -0.176 0.000 0.557 237 F CA 0.930 58.797 58.000 -0.222 0.000 0.930 237 F CB -1.194 37.691 39.000 -0.192 0.000 1.616 237 F HN 0.787 nan 8.300 nan 0.000 0.271 238 G N 0.022 108.752 108.800 -0.118 0.000 2.143 238 G HA2 -0.289 3.671 3.960 0.000 0.000 0.249 238 G HA3 -0.289 3.671 3.960 0.000 0.000 0.249 238 G C 0.140 175.125 174.900 0.142 0.000 0.981 238 G CA 0.315 45.385 45.100 -0.050 0.000 0.665 238 G HN 0.494 nan 8.290 nan 0.000 0.528 239 T N -0.028 114.562 114.554 0.059 0.000 2.939 239 T HA 0.165 4.515 4.350 0.000 0.000 0.319 239 T C 1.710 176.528 174.700 0.196 0.000 1.082 239 T CA 0.893 63.054 62.100 0.102 0.000 1.133 239 T CB 1.137 70.036 68.868 0.053 0.000 1.019 239 T HN 0.430 nan 8.240 nan 0.000 0.548 240 K N 1.979 122.485 120.400 0.176 0.000 2.152 240 K HA -0.153 4.167 4.320 0.000 0.000 0.206 240 K C 2.197 178.901 176.600 0.172 0.000 1.048 240 K CA 1.530 57.931 56.287 0.189 0.000 0.933 240 K CB -0.010 32.550 32.500 0.099 0.000 0.721 240 K HN 0.489 nan 8.250 nan 0.000 0.447 241 K N 0.417 120.884 120.400 0.110 0.000 2.062 241 K HA -0.132 4.188 4.320 0.000 0.000 0.205 241 K C 1.255 177.896 176.600 0.069 0.000 1.051 241 K CA 1.950 58.286 56.287 0.081 0.000 0.941 241 K CB 0.036 32.570 32.500 0.057 0.000 0.719 241 K HN 0.084 nan 8.250 nan 0.000 0.440 242 D N 0.163 120.577 120.400 0.023 0.000 2.133 242 D HA -0.174 4.466 4.640 0.000 0.000 0.195 242 D C 1.499 177.759 176.300 -0.067 0.000 0.997 242 D CA 1.390 55.346 54.000 -0.074 0.000 0.840 242 D CB -0.192 40.459 40.800 -0.247 0.000 0.947 242 D HN 0.208 nan 8.370 nan 0.000 0.452 243 F N 0.777 120.743 119.950 0.027 0.000 2.186 243 F HA -0.066 4.461 4.527 0.000 0.000 0.299 243 F C 2.428 178.241 175.800 0.021 0.000 1.090 243 F CA 0.912 58.933 58.000 0.034 0.000 1.307 243 F CB -0.056 38.958 39.000 0.024 0.000 1.019 243 F HN -0.060 nan 8.300 nan 0.000 0.489 244 E N 0.412 120.729 120.200 0.196 0.000 2.038 244 E HA -0.236 4.114 4.350 0.000 0.000 0.195 244 E C 1.053 177.674 176.600 0.035 0.000 1.000 244 E CA 1.675 58.136 56.400 0.102 0.000 0.803 244 E CB -0.071 29.677 29.700 0.080 0.000 0.750 244 E HN 0.279 nan 8.360 nan 0.000 0.448 245 D N 0.349 120.752 120.400 0.006 0.000 2.336 245 D HA 0.052 4.692 4.640 0.000 0.000 0.229 245 D C 0.378 176.536 176.300 -0.238 0.000 1.061 245 D CA 0.175 54.120 54.000 -0.092 0.000 0.875 245 D CB 0.038 40.810 40.800 -0.047 0.000 0.904 245 D HN 0.206 nan 8.370 nan 0.000 0.525 246 L N 0.349 121.512 121.223 -0.100 0.000 2.464 246 L HA -0.008 4.332 4.340 0.000 0.000 0.264 246 L C 1.202 177.970 176.870 -0.170 0.000 1.199 246 L CA -0.311 54.481 54.840 -0.080 0.000 0.818 246 L CB 0.610 42.747 42.059 0.131 0.000 1.102 246 L HN -0.017 nan 8.230 nan 0.000 0.473 247 Y N -0.578 119.776 120.300 0.089 0.000 2.266 247 Y HA 0.036 4.586 4.550 0.000 0.000 0.294 247 Y C 1.403 177.342 175.900 0.065 0.000 1.127 247 Y CA -0.376 57.759 58.100 0.059 0.000 1.140 247 Y CB -0.617 37.858 38.460 0.026 0.000 1.071 247 Y HN 0.395 nan 8.280 nan 0.000 0.525 248 T N 4.843 119.572 114.554 0.292 0.000 2.870 248 T HA 0.170 4.520 4.350 0.000 0.000 0.300 248 T C -2.331 172.469 174.700 0.167 0.000 0.989 248 T CA -1.228 60.984 62.100 0.186 0.000 1.139 248 T CB 0.676 69.643 68.868 0.165 0.000 0.920 248 T HN 0.029 nan 8.240 nan 0.000 0.537 249 P HA 0.163 nan 4.420 nan 0.000 0.271 249 P C 0.429 177.807 177.300 0.129 0.000 1.216 249 P CA -0.320 62.851 63.100 0.117 0.000 0.776 249 P CB 1.020 32.770 31.700 0.083 0.000 0.881 250 V N 1.252 121.253 119.914 0.144 0.000 2.992 250 V HA -0.069 4.051 4.120 0.000 0.000 0.250 250 V C 1.344 177.486 176.094 0.081 0.000 1.090 250 V CA 0.520 62.911 62.300 0.152 0.000 1.101 250 V CB -1.389 30.573 31.823 0.231 0.000 0.743 250 V HN 0.700 nan 8.190 nan 0.000 0.468 251 N N 1.858 120.590 118.700 0.053 0.000 2.131 251 N HA 0.054 4.794 4.740 0.000 0.000 0.276 251 N C 1.185 176.714 175.510 0.032 0.000 1.295 251 N CA 1.456 54.522 53.050 0.028 0.000 0.818 251 N CB 0.230 38.732 38.487 0.026 0.000 1.049 251 N HN 0.454 nan 8.380 nan 0.000 0.484 252 G N 1.561 110.373 108.800 0.021 0.000 2.196 252 G HA2 -0.271 3.689 3.960 0.000 0.000 0.268 252 G HA3 -0.271 3.689 3.960 0.000 0.000 0.268 252 G C 0.003 174.920 174.900 0.029 0.000 0.975 252 G CA 0.891 46.004 45.100 0.022 0.000 0.648 252 G HN 1.225 nan 8.290 nan 0.000 0.538 253 S N -1.074 114.650 115.700 0.040 0.000 2.709 253 S HA 0.812 5.282 4.470 0.000 0.000 0.302 253 S C -0.067 174.561 174.600 0.048 0.000 1.127 253 S CA -1.124 57.102 58.200 0.045 0.000 0.905 253 S CB 2.199 65.434 63.200 0.058 0.000 1.151 253 S HN 0.449 nan 8.310 nan 0.000 0.510 254 I N 1.324 121.919 120.570 0.042 0.000 2.519 254 I HA 0.363 4.533 4.170 0.000 0.000 0.287 254 I C -0.681 175.471 176.117 0.057 0.000 1.047 254 I CA -0.626 60.695 61.300 0.036 0.000 1.381 254 I CB 1.185 39.194 38.000 0.014 0.000 1.417 254 I HN 0.328 nan 8.210 nan 0.000 0.540 255 V N 7.074 127.026 119.914 0.063 0.000 2.667 255 V HA 0.467 4.587 4.120 0.000 0.000 0.308 255 V C -0.213 175.888 176.094 0.012 0.000 1.048 255 V CA -0.727 61.623 62.300 0.084 0.000 0.928 255 V CB 2.213 34.152 31.823 0.192 0.000 1.004 255 V HN 0.523 nan 8.190 nan 0.000 0.444 256 I N 5.231 125.777 120.570 -0.039 0.000 2.465 256 I HA 0.797 4.967 4.170 0.000 0.000 0.291 256 I C -0.855 175.120 176.117 -0.236 0.000 1.014 256 I CA -0.524 60.718 61.300 -0.097 0.000 1.093 256 I CB 1.647 39.593 38.000 -0.090 0.000 1.267 256 I HN 0.585 nan 8.210 nan 0.000 0.431 257 V N 3.887 123.725 119.914 -0.127 0.000 3.159 257 V HA 0.647 4.767 4.120 0.000 0.000 0.308 257 V C -0.656 175.323 176.094 -0.191 0.000 1.190 257 V CA -1.083 61.089 62.300 -0.213 0.000 1.037 257 V CB 1.867 33.587 31.823 -0.172 0.000 1.060 257 V HN 0.746 nan 8.190 nan 0.000 0.437 258 R N 1.163 121.469 120.500 -0.323 0.000 2.459 258 R HA 0.756 5.096 4.340 0.000 0.000 0.281 258 R C 0.189 176.476 176.300 -0.022 0.000 1.050 258 R CA 0.014 55.855 56.100 -0.430 0.000 1.055 258 R CB 1.726 31.744 30.300 -0.471 0.000 1.045 258 R HN 1.113 nan 8.270 nan 0.000 0.495 259 A N 1.288 124.072 122.820 -0.061 0.000 2.407 259 A HA 0.565 4.885 4.320 0.000 0.000 0.248 259 A C 0.520 178.353 177.584 0.414 0.000 1.082 259 A CA 0.703 52.843 52.037 0.173 0.000 0.785 259 A CB 0.312 19.313 19.000 0.001 0.000 1.020 259 A HN 0.869 nan 8.150 nan 0.000 0.489 260 G N 0.643 109.630 108.800 0.311 0.000 2.381 260 G HA2 0.319 4.279 3.960 0.000 0.000 0.672 260 G HA3 0.319 4.279 3.960 0.000 0.000 0.672 260 G C 0.183 174.922 174.900 -0.269 0.000 1.324 260 G CA 0.026 45.165 45.100 0.065 0.000 0.975 260 G HN 1.228 nan 8.290 nan 0.000 0.593 261 K N -2.385 117.753 120.400 -0.437 0.000 5.625 261 K HA -0.306 4.014 4.320 0.000 0.000 0.420 261 K C 1.252 177.726 176.600 -0.211 0.000 0.485 261 K CA 2.779 58.805 56.287 -0.434 0.000 1.772 261 K CB -1.905 30.155 32.500 -0.734 0.000 1.074 261 K HN 1.878 nan 8.250 nan 0.000 0.653 262 I N -3.662 116.831 120.570 -0.129 0.000 3.354 262 I HA 0.394 4.564 4.170 0.000 0.000 0.316 262 I C -0.046 176.062 176.117 -0.015 0.000 1.182 262 I CA -1.034 60.228 61.300 -0.065 0.000 0.942 262 I CB 2.055 40.035 38.000 -0.033 0.000 1.299 262 I HN -0.137 nan 8.210 nan 0.000 0.473 263 T N 1.431 115.959 114.554 -0.042 0.000 2.898 263 T HA 0.322 4.672 4.350 0.000 0.000 0.301 263 T C 0.873 175.627 174.700 0.091 0.000 1.049 263 T CA 0.046 62.108 62.100 -0.064 0.000 1.095 263 T CB 0.549 69.327 68.868 -0.150 0.000 0.976 263 T HN 0.464 nan 8.240 nan 0.000 0.539 264 F N 0.896 120.727 119.950 -0.198 0.000 2.069 264 F HA -0.173 4.354 4.527 0.000 0.000 0.298 264 F C 2.841 178.543 175.800 -0.162 0.000 1.113 264 F CA 0.692 58.577 58.000 -0.191 0.000 1.214 264 F CB -0.431 38.396 39.000 -0.288 0.000 0.978 264 F HN 0.680 nan 8.300 nan 0.000 0.474 265 A N 0.287 123.105 122.820 -0.004 0.000 1.958 265 A HA -0.264 4.056 4.320 0.000 0.000 0.221 265 A C 1.921 179.492 177.584 -0.021 0.000 1.178 265 A CA 2.159 54.172 52.037 -0.041 0.000 0.642 265 A CB -0.817 18.113 19.000 -0.117 0.000 0.816 265 A HN 0.490 nan 8.150 nan 0.000 0.453 266 E N -0.355 119.832 120.200 -0.022 0.000 2.046 266 E HA -0.166 4.184 4.350 0.000 0.000 0.190 266 E C 2.098 178.719 176.600 0.034 0.000 0.982 266 E CA 1.288 57.683 56.400 -0.007 0.000 0.800 266 E CB -0.160 29.529 29.700 -0.019 0.000 0.756 266 E HN 0.622 nan 8.360 nan 0.000 0.449 267 K N 0.617 121.055 120.400 0.062 0.000 2.001 267 K HA -0.161 4.159 4.320 0.000 0.000 0.214 267 K C 2.220 178.867 176.600 0.078 0.000 1.050 267 K CA 1.553 57.902 56.287 0.104 0.000 0.934 267 K CB -0.367 32.172 32.500 0.066 0.000 0.718 267 K HN -0.039 nan 8.250 nan 0.000 0.443 268 V N 1.346 121.276 119.914 0.027 0.000 2.392 268 V HA -0.282 3.838 4.120 0.000 0.000 0.249 268 V C 2.305 178.390 176.094 -0.014 0.000 1.059 268 V CA 2.085 64.387 62.300 0.003 0.000 1.051 268 V CB -0.756 31.067 31.823 -0.001 0.000 0.658 268 V HN 0.421 nan 8.190 nan 0.000 0.455 269 A N 0.010 122.823 122.820 -0.012 0.000 1.968 269 A HA -0.150 4.170 4.320 0.000 0.000 0.217 269 A C 2.083 179.624 177.584 -0.071 0.000 1.169 269 A CA 1.578 53.596 52.037 -0.031 0.000 0.638 269 A CB -0.487 18.501 19.000 -0.021 0.000 0.812 269 A HN 0.580 nan 8.150 nan 0.000 0.446 270 N N 0.562 119.220 118.700 -0.070 0.000 2.171 270 N HA -0.055 4.685 4.740 0.000 0.000 0.184 270 N C 1.938 177.170 175.510 -0.463 0.000 1.021 270 N CA 1.450 54.398 53.050 -0.169 0.000 0.854 270 N CB -0.524 37.960 38.487 -0.006 0.000 0.994 270 N HN 0.438 nan 8.380 nan 0.000 0.426 271 A N 1.256 123.842 122.820 -0.391 0.000 1.877 271 A HA -0.170 4.150 4.320 0.000 0.000 0.216 271 A C 2.131 179.544 177.584 -0.285 0.000 1.186 271 A CA 1.621 53.376 52.037 -0.470 0.000 0.620 271 A CB -0.682 18.277 19.000 -0.068 0.000 0.822 271 A HN 0.408 nan 8.150 nan 0.000 0.443 272 E N 0.438 120.544 120.200 -0.157 0.000 2.160 272 E HA -0.180 4.170 4.350 0.000 0.000 0.195 272 E C 1.991 178.525 176.600 -0.110 0.000 0.991 272 E CA 1.490 57.830 56.400 -0.099 0.000 0.810 272 E CB -0.121 29.547 29.700 -0.054 0.000 0.742 272 E HN 0.744 nan 8.360 nan 0.000 0.466 273 S N -0.230 115.385 115.700 -0.142 0.000 2.515 273 S HA -0.026 4.444 4.470 0.000 0.000 0.231 273 S C 1.531 176.052 174.600 -0.132 0.000 0.987 273 S CA 0.366 58.496 58.200 -0.116 0.000 0.936 273 S CB -0.006 63.129 63.200 -0.108 0.000 0.766 273 S HN 0.295 nan 8.310 nan 0.000 0.528 274 L N 1.187 122.292 121.223 -0.198 0.000 2.818 274 L HA 0.347 4.687 4.340 0.000 0.000 0.243 274 L C 0.184 176.992 176.870 -0.103 0.000 1.185 274 L CA -0.277 54.460 54.840 -0.171 0.000 0.988 274 L CB -0.563 41.320 42.059 -0.294 0.000 1.292 274 L HN 0.201 nan 8.230 nan 0.000 0.519 275 N N 0.037 118.687 118.700 -0.083 0.000 2.753 275 N HA -0.176 4.564 4.740 0.000 0.000 0.251 275 N C 0.558 176.049 175.510 -0.031 0.000 1.097 275 N CA 0.913 53.936 53.050 -0.045 0.000 0.786 275 N CB -0.743 37.730 38.487 -0.024 0.000 1.137 275 N HN 0.469 nan 8.380 nan 0.000 0.566 276 A N 0.379 123.170 122.820 -0.050 0.000 2.387 276 A HA 0.551 4.871 4.320 0.000 0.000 0.251 276 A C 0.643 178.223 177.584 -0.006 0.000 1.113 276 A CA 0.329 52.359 52.037 -0.012 0.000 0.794 276 A CB 0.398 19.393 19.000 -0.008 0.000 1.069 276 A HN 0.285 nan 8.150 nan 0.000 0.506 277 I N 0.132 120.708 120.570 0.010 0.000 2.478 277 I HA 0.556 4.726 4.170 0.000 0.000 0.287 277 I C 0.506 176.628 176.117 0.009 0.000 1.042 277 I CA 0.004 61.308 61.300 0.007 0.000 1.067 277 I CB 1.438 39.444 38.000 0.010 0.000 1.233 277 I HN 1.215 nan 8.210 nan 0.000 0.431 278 G N 4.131 112.933 108.800 0.004 0.000 2.801 278 G HA2 -0.006 3.954 3.960 0.000 0.000 0.686 278 G HA3 -0.006 3.954 3.960 0.000 0.000 0.686 278 G C -1.101 173.796 174.900 -0.005 0.000 1.507 278 G CA -0.889 44.210 45.100 -0.003 0.000 0.980 278 G HN 0.579 nan 8.290 nan 0.000 0.589 279 V N 2.593 122.492 119.914 -0.026 0.000 2.808 279 V HA 0.660 4.780 4.120 0.000 0.000 0.308 279 V C 0.292 176.337 176.094 -0.082 0.000 1.099 279 V CA -0.797 61.480 62.300 -0.039 0.000 0.920 279 V CB 1.963 33.757 31.823 -0.049 0.000 1.014 279 V HN 0.808 nan 8.190 nan 0.000 0.425 280 L N 5.366 126.541 121.223 -0.080 0.000 2.322 280 L HA 0.671 5.011 4.340 0.000 0.000 0.281 280 L C -0.824 175.990 176.870 -0.093 0.000 1.014 280 L CA -0.483 54.300 54.840 -0.095 0.000 0.815 280 L CB 1.930 43.942 42.059 -0.079 0.000 1.247 280 L HN 0.462 nan 8.230 nan 0.000 0.421 281 I N 3.094 123.577 120.570 -0.145 0.000 2.569 281 I HA 0.500 4.670 4.170 0.000 0.000 0.296 281 I C -0.948 175.276 176.117 0.178 0.000 1.028 281 I CA -0.793 60.425 61.300 -0.137 0.000 1.082 281 I CB 1.962 39.610 38.000 -0.585 0.000 1.264 281 I HN 0.540 nan 8.210 nan 0.000 0.429 282 Y N 3.169 123.513 120.300 0.073 0.000 2.670 282 Y HA 0.706 5.256 4.550 0.000 0.000 0.334 282 Y C -1.641 174.171 175.900 -0.146 0.000 1.185 282 Y CA -1.499 56.652 58.100 0.085 0.000 1.053 282 Y CB 1.642 40.100 38.460 -0.003 0.000 1.298 282 Y HN 0.337 nan 8.280 nan 0.000 0.459 283 M N 4.360 123.679 119.600 -0.468 0.000 2.047 283 M HA 0.220 4.700 4.480 0.000 0.000 0.342 283 M C -1.155 175.043 176.300 -0.169 0.000 1.058 283 M CA -0.742 54.124 55.300 -0.723 0.000 0.991 283 M CB 0.876 32.827 32.600 -1.082 0.000 1.474 283 M HN 0.706 nan 8.290 nan 0.000 0.419 284 D N 2.485 122.828 120.400 -0.096 0.000 2.382 284 D HA -0.065 4.575 4.640 0.000 0.000 0.240 284 D C 0.450 176.887 176.300 0.228 0.000 1.146 284 D CA -0.161 53.972 54.000 0.222 0.000 0.897 284 D CB 1.236 42.162 40.800 0.209 0.000 1.197 284 D HN 0.710 nan 8.370 nan 0.000 0.432 285 Q N 0.998 120.920 119.800 0.202 0.000 2.226 285 Q HA -0.140 4.200 4.340 0.000 0.000 0.204 285 Q C 1.279 177.354 176.000 0.125 0.000 0.975 285 Q CA 1.398 57.293 55.803 0.153 0.000 0.866 285 Q CB 0.106 28.916 28.738 0.121 0.000 0.915 285 Q HN 0.619 nan 8.270 nan 0.000 0.440 286 T N 0.773 115.401 114.554 0.123 0.000 2.612 286 T HA -0.099 4.251 4.350 0.000 0.000 0.259 286 T C 1.664 176.395 174.700 0.052 0.000 1.065 286 T CA 1.046 63.195 62.100 0.082 0.000 1.167 286 T CB -0.068 68.850 68.868 0.083 0.000 0.863 286 T HN 0.154 nan 8.240 nan 0.000 0.407 287 K N 0.444 120.898 120.400 0.089 0.000 2.097 287 K HA 0.007 4.327 4.320 0.000 0.000 0.206 287 K C 0.138 176.520 176.600 -0.364 0.000 1.049 287 K CA 0.991 57.230 56.287 -0.080 0.000 0.933 287 K CB -0.282 32.259 32.500 0.068 0.000 0.717 287 K HN 0.363 nan 8.250 nan 0.000 0.442 288 F N 1.837 121.767 119.950 -0.034 0.000 2.371 288 F HA 0.232 4.759 4.527 0.000 0.000 0.343 288 F C -2.077 173.691 175.800 -0.054 0.000 1.150 288 F CA -2.763 55.192 58.000 -0.076 0.000 1.220 288 F CB 1.130 40.067 39.000 -0.106 0.000 1.475 288 F HN -0.138 nan 8.300 nan 0.000 0.521 289 P HA 0.066 nan 4.420 nan 0.000 0.244 289 P C -0.192 177.137 177.300 0.048 0.000 1.723 289 P CA 0.394 63.516 63.100 0.037 0.000 1.110 289 P CB -0.199 31.498 31.700 -0.005 0.000 1.972 290 I N -1.147 119.483 120.570 0.100 0.000 2.577 290 I HA 0.291 4.461 4.170 0.000 0.000 0.305 290 I C 1.134 177.320 176.117 0.115 0.000 0.986 290 I CA -1.011 60.377 61.300 0.147 0.000 1.189 290 I CB 1.680 39.797 38.000 0.196 0.000 1.355 290 I HN -0.209 nan 8.210 nan 0.000 0.476 291 V N 3.039 123.022 119.914 0.115 0.000 2.239 291 V HA -0.171 3.949 4.120 0.000 0.000 0.242 291 V C 1.226 177.363 176.094 0.072 0.000 1.038 291 V CA 1.556 63.904 62.300 0.080 0.000 1.002 291 V CB -0.914 30.949 31.823 0.067 0.000 0.641 291 V HN 0.960 nan 8.190 nan 0.000 0.449 292 N N 1.071 119.812 118.700 0.068 0.000 2.427 292 N HA 0.133 4.873 4.740 0.000 0.000 0.269 292 N C 0.462 176.012 175.510 0.067 0.000 1.235 292 N CA 0.747 53.833 53.050 0.059 0.000 0.934 292 N CB 1.220 39.735 38.487 0.047 0.000 1.121 292 N HN 0.325 nan 8.380 nan 0.000 0.480 293 A N 3.832 126.690 122.820 0.063 0.000 2.218 293 A HA 0.061 4.381 4.320 0.000 0.000 0.209 293 A C 1.328 178.949 177.584 0.062 0.000 1.168 293 A CA 0.327 52.403 52.037 0.064 0.000 0.804 293 A CB -0.036 19.004 19.000 0.066 0.000 0.834 293 A HN 0.708 nan 8.150 nan 0.000 0.482 294 E N -0.605 119.633 120.200 0.064 0.000 2.478 294 E HA 0.042 4.392 4.350 0.000 0.000 0.194 294 E C 0.057 176.713 176.600 0.092 0.000 1.045 294 E CA -0.203 56.239 56.400 0.071 0.000 0.868 294 E CB -0.126 29.612 29.700 0.064 0.000 0.885 294 E HN 0.501 nan 8.360 nan 0.000 0.505 295 L N 2.475 123.751 121.223 0.089 0.000 2.513 295 L HA -0.023 4.317 4.340 0.000 0.000 0.272 295 L C 0.254 177.221 176.870 0.161 0.000 1.187 295 L CA 0.113 55.023 54.840 0.116 0.000 0.895 295 L CB 0.472 42.587 42.059 0.093 0.000 1.147 295 L HN -0.122 nan 8.230 nan 0.000 0.483 296 S N 4.974 120.830 115.700 0.260 0.000 2.718 296 S HA 0.850 5.320 4.470 0.000 0.000 0.300 296 S C -0.443 174.481 174.600 0.539 0.000 1.117 296 S CA -0.692 57.742 58.200 0.390 0.000 1.002 296 S CB 1.399 64.798 63.200 0.332 0.000 1.092 296 S HN 0.614 nan 8.310 nan 0.000 0.542 297 F N -1.539 118.442 119.950 0.052 0.000 2.664 297 F HA 0.848 5.375 4.527 0.000 0.000 0.317 297 F C -1.211 174.388 175.800 -0.335 0.000 1.108 297 F CA -1.759 56.223 58.000 -0.030 0.000 0.957 297 F CB 1.129 40.150 39.000 0.034 0.000 1.365 297 F HN 0.625 nan 8.300 nan 0.000 0.475 298 F N 0.527 120.091 119.950 -0.643 0.000 2.556 298 F HA 0.932 5.459 4.527 0.000 0.000 0.327 298 F C -0.293 175.166 175.800 -0.568 0.000 1.059 298 F CA -0.415 56.979 58.000 -1.010 0.000 0.953 298 F CB 2.117 40.041 39.000 -1.794 0.000 1.227 298 F HN 0.926 nan 8.300 nan 0.000 0.478 299 G N 1.670 109.268 108.800 -2.004 0.000 2.495 299 G HA2 0.475 4.435 3.960 0.000 0.000 0.294 299 G HA3 0.475 4.435 3.960 0.000 0.000 0.294 299 G C -2.405 171.705 174.900 -1.316 0.000 1.397 299 G CA -0.648 43.580 45.100 -1.453 0.000 0.790 299 G HN 1.158 nan 8.290 nan 0.000 0.486 300 H N -2.363 116.274 119.070 -0.722 0.000 2.821 300 H HA 0.807 5.363 4.556 0.000 0.000 0.373 300 H C 0.094 175.412 175.328 -0.018 0.000 1.165 300 H CA -0.334 55.538 56.048 -0.293 0.000 1.154 300 H CB 2.174 31.891 29.762 -0.076 0.000 1.765 300 H HN 0.841 nan 8.280 nan 0.000 0.549 301 A N 1.712 124.613 122.820 0.136 0.000 2.574 301 A HA 0.099 4.419 4.320 0.000 0.000 0.283 301 A C -0.197 177.515 177.584 0.213 0.000 1.270 301 A CA -0.275 51.812 52.037 0.084 0.000 0.945 301 A CB -0.984 18.076 19.000 0.100 0.000 1.127 301 A HN 0.808 nan 8.150 nan 0.000 0.522 302 H N 0.214 119.503 119.070 0.365 0.000 2.878 302 H HA 0.354 4.910 4.556 0.000 0.000 0.290 302 H C -0.182 175.229 175.328 0.138 0.000 1.065 302 H CA -0.880 55.283 56.048 0.192 0.000 1.477 302 H CB 0.534 30.300 29.762 0.007 0.000 1.484 302 H HN 0.146 nan 8.280 nan 0.000 0.504 303 L N 6.463 127.567 121.223 -0.197 0.000 2.416 303 L HA 0.328 4.668 4.340 0.000 0.000 0.243 303 L C 0.537 177.149 176.870 -0.430 0.000 1.373 303 L CA 1.070 55.768 54.840 -0.236 0.000 1.227 303 L CB -0.912 41.093 42.059 -0.090 0.000 1.428 303 L HN 0.931 nan 8.230 nan 0.000 0.425 304 G N 0.033 108.443 108.800 -0.650 0.000 2.393 304 G HA2 0.482 4.442 3.960 0.000 0.000 0.264 304 G HA3 0.482 4.442 3.960 0.000 0.000 0.264 304 G C -0.992 173.825 174.900 -0.137 0.000 1.221 304 G CA 0.105 44.983 45.100 -0.371 0.000 0.912 304 G HN 0.391 nan 8.290 nan 0.000 0.483 305 T N -3.150 111.472 114.554 0.112 0.000 2.864 305 T HA 0.835 5.185 4.350 0.000 0.000 0.299 305 T C 0.549 175.289 174.700 0.067 0.000 1.166 305 T CA 0.520 62.708 62.100 0.147 0.000 1.007 305 T CB 1.431 70.431 68.868 0.219 0.000 1.219 305 T HN 2.766 nan 8.240 nan 0.000 0.506 306 G N 1.042 109.831 108.800 -0.018 0.000 2.828 306 G HA2 -0.002 3.958 3.960 0.000 0.000 0.463 306 G HA3 -0.002 3.958 3.960 0.000 0.000 0.463 306 G C -0.560 174.248 174.900 -0.154 0.000 1.394 306 G CA -0.196 44.830 45.100 -0.123 0.000 0.862 306 G HN 1.216 nan 8.290 nan 0.000 0.540 307 D N 1.125 121.407 120.400 -0.196 0.000 2.426 307 D HA 0.187 4.827 4.640 0.000 0.000 0.261 307 D C -0.083 176.016 176.300 -0.335 0.000 1.245 307 D CA -0.985 52.908 54.000 -0.178 0.000 0.917 307 D CB 0.956 41.687 40.800 -0.115 0.000 1.123 307 D HN 0.149 nan 8.370 nan 0.000 0.508 308 P HA -0.117 nan 4.420 nan 0.000 0.239 308 P C 0.293 177.080 177.300 -0.856 0.000 1.184 308 P CA 0.776 63.310 63.100 -0.944 0.000 0.760 308 P CB -0.109 30.624 31.700 -1.612 0.000 0.884 309 Y N -0.074 120.082 120.300 -0.241 0.000 2.467 309 Y HA 0.141 4.691 4.550 0.000 0.000 0.250 309 Y C 1.097 176.909 175.900 -0.147 0.000 1.155 309 Y CA 0.365 58.392 58.100 -0.121 0.000 1.249 309 Y CB 0.100 38.547 38.460 -0.021 0.000 1.146 309 Y HN -0.023 nan 8.280 nan 0.000 0.524 310 T N -1.713 112.649 114.554 -0.320 0.000 3.624 310 T HA 0.250 4.600 4.350 0.000 0.000 0.244 310 T C -2.994 171.068 174.700 -1.064 0.000 1.063 310 T CA -1.930 59.583 62.100 -0.978 0.000 1.252 310 T CB 0.250 68.600 68.868 -0.864 0.000 1.021 310 T HN -0.145 nan 8.240 nan 0.000 0.590 311 P HA 0.233 nan 4.420 nan 0.000 0.262 311 P C 1.135 178.233 177.300 -0.337 0.000 1.199 311 P CA 0.940 63.796 63.100 -0.407 0.000 0.763 311 P CB 0.432 31.986 31.700 -0.244 0.000 0.790 312 G N 2.774 111.370 108.800 -0.341 0.000 2.155 312 G HA2 -0.238 3.722 3.960 0.000 0.000 0.257 312 G HA3 -0.238 3.722 3.960 0.000 0.000 0.257 312 G C -0.209 174.669 174.900 -0.036 0.000 0.983 312 G CA 0.448 45.424 45.100 -0.207 0.000 0.676 312 G HN 0.729 nan 8.290 nan 0.000 0.528 313 F N -2.078 117.779 119.950 -0.154 0.000 2.713 313 F HA 0.822 5.349 4.527 0.000 0.000 0.311 313 F C -2.952 172.753 175.800 -0.158 0.000 1.141 313 F CA -2.796 55.132 58.000 -0.120 0.000 0.939 313 F CB 0.925 39.876 39.000 -0.081 0.000 1.325 313 F HN -0.016 nan 8.300 nan 0.000 0.453 314 P HA 0.161 nan 4.420 nan 0.000 0.279 314 P C -0.720 176.523 177.300 -0.095 0.000 1.239 314 P CA -0.184 62.828 63.100 -0.145 0.000 0.789 314 P CB 1.552 33.139 31.700 -0.188 0.000 0.933 315 S N 3.358 118.898 115.700 -0.266 0.000 3.919 315 S HA 0.307 4.777 4.470 0.000 0.000 0.245 315 S C -0.338 174.354 174.600 0.154 0.000 1.344 315 S CA -0.055 58.164 58.200 0.031 0.000 0.896 315 S CB -1.361 61.904 63.200 0.108 0.000 1.557 315 S HN 0.351 nan 8.310 nan 0.000 0.468 316 F N 0.832 120.855 119.950 0.121 0.000 2.565 316 F HA 0.303 4.830 4.527 0.000 0.000 0.313 316 F C 1.114 176.896 175.800 -0.030 0.000 1.091 316 F CA -1.350 56.756 58.000 0.177 0.000 0.915 316 F CB 1.655 40.726 39.000 0.118 0.000 1.208 316 F HN 0.159 nan 8.300 nan 0.000 0.453 317 N N 0.357 119.343 118.700 0.477 0.000 2.258 317 N HA -0.186 4.554 4.740 0.000 0.000 0.187 317 N C 1.405 176.990 175.510 0.124 0.000 1.012 317 N CA 1.047 54.274 53.050 0.295 0.000 0.870 317 N CB -0.268 38.420 38.487 0.335 0.000 0.977 317 N HN 0.554 nan 8.380 nan 0.000 0.434 318 H N -1.200 117.898 119.070 0.046 0.000 2.457 318 H HA -0.072 4.484 4.556 0.000 0.000 0.297 318 H C 1.546 176.841 175.328 -0.055 0.000 1.092 318 H CA 1.162 57.210 56.048 -0.000 0.000 1.309 318 H CB -0.018 29.742 29.762 -0.003 0.000 1.382 318 H HN 0.217 nan 8.280 nan 0.000 0.535 319 T N 0.121 114.684 114.554 0.015 0.000 2.951 319 T HA -0.107 4.243 4.350 0.000 0.000 0.268 319 T C 0.867 175.472 174.700 -0.158 0.000 1.073 319 T CA 0.479 62.491 62.100 -0.146 0.000 1.134 319 T CB 0.015 68.765 68.868 -0.197 0.000 0.884 319 T HN 0.460 nan 8.240 nan 0.000 0.479 320 Q N -0.411 119.312 119.800 -0.129 0.000 2.481 320 Q HA -0.181 4.159 4.340 0.000 0.000 0.272 320 Q C -0.690 175.429 176.000 0.198 0.000 1.157 320 Q CA 0.054 55.904 55.803 0.079 0.000 0.935 320 Q CB -2.337 26.432 28.738 0.051 0.000 1.338 320 Q HN 0.633 nan 8.270 nan 0.000 0.494 321 F N -0.591 119.449 119.950 0.151 0.000 2.350 321 F HA -0.226 4.301 4.527 0.000 0.000 0.155 321 F C -0.885 175.007 175.800 0.154 0.000 1.043 321 F CA 0.614 58.733 58.000 0.198 0.000 0.794 321 F CB -1.157 37.943 39.000 0.168 0.000 0.678 321 F HN 0.166 nan 8.300 nan 0.000 0.816 322 P HA 0.068 nan 4.420 nan 0.000 0.270 322 P C -2.290 175.141 177.300 0.218 0.000 1.223 322 P CA -1.125 62.064 63.100 0.148 0.000 0.785 322 P CB 0.224 31.934 31.700 0.017 0.000 0.923 323 P HA 0.108 nan 4.420 nan 0.000 0.268 323 P C -0.500 176.901 177.300 0.169 0.000 1.282 323 P CA 0.383 63.577 63.100 0.158 0.000 0.880 323 P CB 0.201 31.964 31.700 0.105 0.000 0.971 324 S N 2.995 118.825 115.700 0.218 0.000 2.575 324 S HA 0.478 4.948 4.470 0.000 0.000 0.278 324 S C -0.827 173.845 174.600 0.119 0.000 1.139 324 S CA -0.731 57.577 58.200 0.180 0.000 0.954 324 S CB 1.518 64.894 63.200 0.292 0.000 1.054 324 S HN 0.440 nan 8.310 nan 0.000 0.483 325 R N 2.368 122.889 120.500 0.035 0.000 2.409 325 R HA 0.436 4.776 4.340 0.000 0.000 0.313 325 R C -0.412 175.799 176.300 -0.149 0.000 0.953 325 R CA -0.312 55.740 56.100 -0.079 0.000 0.849 325 R CB 1.409 31.713 30.300 0.007 0.000 1.171 325 R HN 0.621 nan 8.270 nan 0.000 0.458 326 S N 2.028 117.553 115.700 -0.291 0.000 2.546 326 S HA -0.068 4.402 4.470 0.000 0.000 0.290 326 S C 1.283 175.821 174.600 -0.103 0.000 1.290 326 S CA 0.322 58.401 58.200 -0.201 0.000 1.069 326 S CB 0.621 63.664 63.200 -0.261 0.000 0.846 326 S HN 0.750 nan 8.310 nan 0.000 0.495 327 S N 3.458 119.128 115.700 -0.050 0.000 2.603 327 S HA 0.076 4.546 4.470 0.000 0.000 0.229 327 S C 1.411 176.013 174.600 0.003 0.000 0.972 327 S CA 0.438 58.624 58.200 -0.022 0.000 0.935 327 S CB -0.321 62.868 63.200 -0.018 0.000 0.769 327 S HN 0.895 nan 8.310 nan 0.000 0.536 328 G N 0.641 109.465 108.800 0.040 0.000 3.189 328 G HA2 0.370 4.330 3.960 0.000 0.000 0.225 328 G HA3 0.370 4.330 3.960 0.000 0.000 0.225 328 G C 0.150 175.140 174.900 0.149 0.000 1.159 328 G CA -0.485 44.653 45.100 0.064 0.000 0.763 328 G HN 0.484 nan 8.290 nan 0.000 0.549 329 L N 2.768 124.041 121.223 0.083 0.000 2.319 329 L HA 0.293 4.633 4.340 0.000 0.000 0.280 329 L C -1.605 175.304 176.870 0.064 0.000 1.099 329 L CA -1.821 53.056 54.840 0.060 0.000 0.828 329 L CB 1.359 43.377 42.059 -0.068 0.000 1.150 329 L HN 0.013 nan 8.230 nan 0.000 0.442 330 P HA 0.063 nan 4.420 nan 0.000 0.272 330 P C -0.847 176.490 177.300 0.061 0.000 1.223 330 P CA -0.337 62.802 63.100 0.065 0.000 0.784 330 P CB 0.877 32.622 31.700 0.075 0.000 0.923 331 N N 1.080 119.803 118.700 0.040 0.000 2.275 331 N HA 0.203 4.943 4.740 0.000 0.000 0.236 331 N C 0.284 175.813 175.510 0.032 0.000 1.154 331 N CA 0.057 53.130 53.050 0.038 0.000 0.866 331 N CB 0.425 38.928 38.487 0.027 0.000 1.093 331 N HN 0.523 nan 8.380 nan 0.000 0.515 332 I N -2.972 117.617 120.570 0.031 0.000 2.969 332 I HA 0.660 4.830 4.170 0.000 0.000 0.307 332 I C -2.915 173.218 176.117 0.027 0.000 1.149 332 I CA -2.510 58.804 61.300 0.022 0.000 1.008 332 I CB 2.779 40.784 38.000 0.008 0.000 1.232 332 I HN -0.308 nan 8.210 nan 0.000 0.435 333 P HA 0.253 nan 4.420 nan 0.000 0.274 333 P C -0.950 176.348 177.300 -0.003 0.000 1.231 333 P CA -0.166 62.944 63.100 0.017 0.000 0.790 333 P CB 1.728 33.435 31.700 0.012 0.000 0.951 334 V N 1.781 121.687 119.914 -0.013 0.000 2.668 334 V HA 0.436 4.556 4.120 0.000 0.000 0.304 334 V C -0.295 175.747 176.094 -0.086 0.000 1.071 334 V CA -0.502 61.760 62.300 -0.064 0.000 0.894 334 V CB 1.541 33.317 31.823 -0.078 0.000 1.008 334 V HN 0.533 nan 8.190 nan 0.000 0.425 335 Q N 1.654 121.377 119.800 -0.127 0.000 2.423 335 Q HA 0.675 5.015 4.340 0.000 0.000 0.278 335 Q C -0.808 175.057 176.000 -0.225 0.000 1.097 335 Q CA -0.233 55.490 55.803 -0.133 0.000 0.809 335 Q CB 2.557 31.255 28.738 -0.067 0.000 1.391 335 Q HN 0.771 nan 8.270 nan 0.000 0.428 336 T N 3.141 117.543 114.554 -0.253 0.000 2.829 336 T HA 0.749 5.099 4.350 0.000 0.000 0.282 336 T C -0.590 174.070 174.700 -0.068 0.000 0.990 336 T CA -0.450 61.437 62.100 -0.355 0.000 1.028 336 T CB 0.087 68.538 68.868 -0.695 0.000 0.951 336 T HN 0.491 nan 8.240 nan 0.000 0.460 337 I N 0.694 121.325 120.570 0.101 0.000 2.769 337 I HA 0.726 4.896 4.170 0.000 0.000 0.298 337 I C 0.299 176.556 176.117 0.233 0.000 1.128 337 I CA -1.101 60.273 61.300 0.125 0.000 1.031 337 I CB 2.234 40.241 38.000 0.012 0.000 1.235 337 I HN 0.597 nan 8.210 nan 0.000 0.423 338 S N 4.160 119.949 115.700 0.148 0.000 2.596 338 S HA 0.231 4.701 4.470 0.000 0.000 0.260 338 S C 1.029 175.676 174.600 0.077 0.000 1.336 338 S CA -0.330 57.941 58.200 0.119 0.000 0.993 338 S CB 1.269 64.522 63.200 0.089 0.000 0.923 338 S HN 0.939 nan 8.310 nan 0.000 0.567 339 R N 0.591 121.136 120.500 0.076 0.000 2.075 339 R HA -0.092 4.248 4.340 0.000 0.000 0.232 339 R C 2.454 178.768 176.300 0.023 0.000 1.126 339 R CA 1.387 57.551 56.100 0.107 0.000 0.963 339 R CB -1.231 29.147 30.300 0.129 0.000 0.858 339 R HN 0.859 nan 8.270 nan 0.000 0.435 340 A N 1.074 123.910 122.820 0.027 0.000 1.873 340 A HA -0.227 4.093 4.320 0.000 0.000 0.218 340 A C 2.397 179.947 177.584 -0.058 0.000 1.193 340 A CA 2.192 54.234 52.037 0.008 0.000 0.629 340 A CB -0.980 18.038 19.000 0.029 0.000 0.826 340 A HN 0.544 nan 8.150 nan 0.000 0.447 341 A N -0.362 122.415 122.820 -0.072 0.000 1.908 341 A HA 0.092 4.412 4.320 0.000 0.000 0.218 341 A C 2.553 179.948 177.584 -0.315 0.000 1.181 341 A CA 2.505 54.458 52.037 -0.140 0.000 0.627 341 A CB -1.172 17.774 19.000 -0.091 0.000 0.818 341 A HN 1.239 nan 8.150 nan 0.000 0.445 342 A N -0.137 122.435 122.820 -0.412 0.000 1.883 342 A HA -0.231 4.089 4.320 0.000 0.000 0.217 342 A C 1.924 178.855 177.584 -1.089 0.000 1.186 342 A CA 1.799 53.282 52.037 -0.923 0.000 0.624 342 A CB -0.632 17.700 19.000 -1.113 0.000 0.822 342 A HN 0.668 nan 8.150 nan 0.000 0.444 343 E N -0.372 119.595 120.200 -0.388 0.000 2.110 343 E HA -0.180 4.170 4.350 0.000 0.000 0.193 343 E C 2.056 178.583 176.600 -0.122 0.000 0.988 343 E CA 1.167 57.549 56.400 -0.029 0.000 0.804 343 E CB -0.162 29.594 29.700 0.093 0.000 0.745 343 E HN 0.564 nan 8.360 nan 0.000 0.458 344 K N 0.380 120.657 120.400 -0.207 0.000 2.097 344 K HA -0.116 4.204 4.320 0.000 0.000 0.206 344 K C 2.027 178.418 176.600 -0.349 0.000 1.049 344 K CA 0.700 56.842 56.287 -0.243 0.000 0.933 344 K CB 0.034 32.383 32.500 -0.253 0.000 0.717 344 K HN 0.079 nan 8.250 nan 0.000 0.442 345 L N -0.044 120.923 121.223 -0.426 0.000 2.141 345 L HA -0.093 4.247 4.340 0.000 0.000 0.209 345 L C 1.980 178.719 176.870 -0.218 0.000 1.094 345 L CA 1.574 56.181 54.840 -0.388 0.000 0.763 345 L CB -0.987 40.787 42.059 -0.476 0.000 0.908 345 L HN 0.178 nan 8.230 nan 0.000 0.437 346 F N -0.172 119.696 119.950 -0.137 0.000 2.365 346 F HA -0.087 4.440 4.527 0.000 0.000 0.300 346 F C 2.291 178.040 175.800 -0.085 0.000 1.090 346 F CA 0.432 58.375 58.000 -0.096 0.000 1.408 346 F CB -0.352 38.593 39.000 -0.090 0.000 1.060 346 F HN 0.189 nan 8.300 nan 0.000 0.534 347 G N -0.499 108.336 108.800 0.059 0.000 2.848 347 G HA2 -0.132 3.828 3.960 0.000 0.000 0.208 347 G HA3 -0.132 3.828 3.960 0.000 0.000 0.208 347 G C 0.813 175.710 174.900 -0.005 0.000 1.152 347 G CA 0.201 45.313 45.100 0.019 0.000 0.789 347 G HN 0.357 nan 8.290 nan 0.000 0.531 348 N N -0.273 118.415 118.700 -0.021 0.000 2.299 348 N HA 0.276 5.016 4.740 0.000 0.000 0.246 348 N C -0.299 175.216 175.510 0.009 0.000 1.254 348 N CA -0.018 53.019 53.050 -0.021 0.000 0.879 348 N CB 0.742 39.187 38.487 -0.070 0.000 1.214 348 N HN 0.248 nan 8.380 nan 0.000 0.510 349 M N 0.552 120.176 119.600 0.040 0.000 2.690 349 M HA 0.385 4.865 4.480 0.000 0.000 0.302 349 M C -0.836 175.474 176.300 0.016 0.000 1.234 349 M CA -0.474 54.856 55.300 0.050 0.000 0.853 349 M CB 2.531 35.206 32.600 0.124 0.000 1.748 349 M HN -0.084 nan 8.290 nan 0.000 0.469 350 E N -0.238 119.958 120.200 -0.007 0.000 2.378 350 E HA 0.762 5.112 4.350 0.000 0.000 0.265 350 E C -0.703 175.849 176.600 -0.080 0.000 0.932 350 E CA -1.126 55.249 56.400 -0.042 0.000 0.795 350 E CB 2.162 31.840 29.700 -0.036 0.000 1.296 350 E HN 0.917 nan 8.360 nan 0.000 0.438 351 G N 2.053 110.784 108.800 -0.114 0.000 3.391 351 G HA2 -0.141 3.819 3.960 0.000 0.000 0.683 351 G HA3 -0.141 3.819 3.960 0.000 0.000 0.683 351 G C -0.949 173.819 174.900 -0.221 0.000 1.071 351 G CA -0.795 44.203 45.100 -0.170 0.000 0.904 351 G HN 0.477 nan 8.290 nan 0.000 0.452 352 D N 0.631 120.893 120.400 -0.229 0.000 2.493 352 D HA 0.158 4.798 4.640 0.000 0.000 0.240 352 D C 1.175 177.253 176.300 -0.370 0.000 1.142 352 D CA 0.401 54.243 54.000 -0.262 0.000 0.872 352 D CB 1.047 41.717 40.800 -0.217 0.000 1.173 352 D HN 0.510 nan 8.370 nan 0.000 0.467 353 c N 4.301 122.651 118.600 -0.417 0.000 2.633 353 c HA 0.085 4.655 4.570 0.000 0.000 0.415 353 c C -1.826 171.889 174.090 -0.624 0.000 1.393 353 c CA -1.173 54.798 56.329 -0.596 0.000 1.700 353 c CB -0.491 41.729 42.510 -0.483 0.000 2.541 353 c HN 0.426 nan 8.230 nan 0.000 0.603 354 P HA -0.014 nan 4.420 nan 0.000 0.261 354 P C 0.675 177.712 177.300 -0.440 0.000 1.173 354 P CA 0.573 63.227 63.100 -0.744 0.000 0.760 354 P CB 0.545 31.580 31.700 -1.110 0.000 0.783 355 S N 1.734 117.292 115.700 -0.235 0.000 2.419 355 S HA -0.222 4.248 4.470 0.000 0.000 0.233 355 S C 1.676 176.263 174.600 -0.022 0.000 1.016 355 S CA 1.292 59.429 58.200 -0.106 0.000 0.974 355 S CB -0.742 62.411 63.200 -0.077 0.000 0.786 355 S HN 0.454 nan 8.310 nan 0.000 0.492 356 D N 0.765 121.152 120.400 -0.021 0.000 2.158 356 D HA -0.143 4.497 4.640 0.000 0.000 0.197 356 D C 1.100 177.566 176.300 0.277 0.000 0.995 356 D CA 1.156 55.222 54.000 0.110 0.000 0.846 356 D CB -0.300 40.578 40.800 0.130 0.000 0.941 356 D HN 0.587 nan 8.370 nan 0.000 0.456 357 W N 0.820 122.112 121.300 -0.014 0.000 2.525 357 W HA 0.037 4.697 4.660 0.000 0.000 0.259 357 W C 1.028 177.538 176.519 -0.015 0.000 1.253 357 W CA 0.063 57.391 57.345 -0.028 0.000 1.262 357 W CB -0.874 28.529 29.460 -0.095 0.000 1.122 357 W HN -0.014 nan 8.180 nan 0.000 0.607 358 K N 1.134 121.654 120.400 0.201 0.000 3.689 358 K HA -0.248 4.072 4.320 0.000 0.000 0.276 358 K C -0.316 176.353 176.600 0.116 0.000 0.932 358 K CA 1.279 57.638 56.287 0.120 0.000 0.758 358 K CB -1.323 31.242 32.500 0.110 0.000 1.500 358 K HN 0.135 nan 8.250 nan 0.000 0.448 359 T N 0.188 114.804 114.554 0.104 0.000 2.864 359 T HA 0.469 4.819 4.350 0.000 0.000 0.289 359 T C -1.024 173.705 174.700 0.048 0.000 1.082 359 T CA -0.494 61.660 62.100 0.089 0.000 1.009 359 T CB 0.917 69.854 68.868 0.115 0.000 1.234 359 T HN 0.256 nan 8.240 nan 0.000 0.526 360 D N 1.438 121.876 120.400 0.063 0.000 2.749 360 D HA 0.017 4.657 4.640 0.000 0.000 0.222 360 D C 1.219 177.496 176.300 -0.039 0.000 1.131 360 D CA 1.103 55.125 54.000 0.037 0.000 0.845 360 D CB 0.582 41.435 40.800 0.088 0.000 1.196 360 D HN 0.556 nan 8.370 nan 0.000 0.503 361 S N -0.169 115.510 115.700 -0.035 0.000 2.607 361 S HA -0.050 4.420 4.470 0.000 0.000 0.224 361 S C 1.360 175.899 174.600 -0.102 0.000 0.969 361 S CA 0.345 58.503 58.200 -0.069 0.000 0.927 361 S CB 0.136 63.312 63.200 -0.040 0.000 0.772 361 S HN 0.434 nan 8.310 nan 0.000 0.533 362 T N 1.785 116.272 114.554 -0.112 0.000 3.039 362 T HA 0.121 4.471 4.350 0.000 0.000 0.250 362 T C 1.353 175.789 174.700 -0.440 0.000 1.052 362 T CA 0.507 62.524 62.100 -0.139 0.000 1.125 362 T CB -0.591 68.290 68.868 0.022 0.000 0.908 362 T HN 0.833 nan 8.240 nan 0.000 0.473 363 c N 2.799 120.947 118.600 -0.754 0.000 2.700 363 c HA 0.727 5.297 4.570 0.000 0.000 0.397 363 c C 0.206 173.805 174.090 -0.819 0.000 1.301 363 c CA -1.303 54.123 56.329 -1.505 0.000 2.219 363 c CB -0.335 41.391 42.510 -1.306 0.000 2.699 363 c HN 0.428 nan 8.230 nan 0.000 0.669 364 R N 2.617 122.688 120.500 -0.715 0.000 2.680 364 R HA 0.595 4.935 4.340 0.000 0.000 0.269 364 R C -0.861 175.357 176.300 -0.137 0.000 1.026 364 R CA -0.750 55.152 56.100 -0.331 0.000 0.889 364 R CB 1.587 31.780 30.300 -0.178 0.000 1.241 364 R HN 0.841 nan 8.270 nan 0.000 0.463 365 M N 0.808 120.350 119.600 -0.095 0.000 2.363 365 M HA 0.515 4.995 4.480 0.000 0.000 0.343 365 M C -0.244 176.102 176.300 0.077 0.000 1.165 365 M CA -0.934 54.414 55.300 0.080 0.000 1.046 365 M CB 1.208 33.853 32.600 0.076 0.000 1.648 365 M HN 0.398 nan 8.290 nan 0.000 0.452 366 V N 0.108 120.101 119.914 0.131 0.000 3.478 366 V HA -0.175 3.945 4.120 0.000 0.000 0.498 366 V C 0.469 176.602 176.094 0.064 0.000 0.682 366 V CA 0.699 63.051 62.300 0.088 0.000 2.047 366 V CB -1.522 30.335 31.823 0.056 0.000 2.481 366 V HN 1.235 nan 8.190 nan 0.000 0.507 367 T N 2.241 116.828 114.554 0.053 0.000 2.874 367 T HA 0.596 4.946 4.350 0.000 0.000 0.281 367 T C 0.284 174.997 174.700 0.022 0.000 0.994 367 T CA -0.066 62.054 62.100 0.034 0.000 1.015 367 T CB 1.451 70.332 68.868 0.021 0.000 1.028 367 T HN 1.058 nan 8.240 nan 0.000 0.523 368 S N 1.109 116.818 115.700 0.015 0.000 2.525 368 S HA 0.047 4.517 4.470 0.000 0.000 0.285 368 S C 1.452 176.059 174.600 0.013 0.000 1.283 368 S CA -0.438 57.768 58.200 0.011 0.000 1.072 368 S CB 0.570 63.776 63.200 0.010 0.000 0.867 368 S HN 0.967 nan 8.310 nan 0.000 0.492 369 E N 3.173 123.380 120.200 0.012 0.000 2.236 369 E HA -0.292 4.058 4.350 0.000 0.000 0.205 369 E C 1.837 178.446 176.600 0.014 0.000 1.028 369 E CA 1.904 58.312 56.400 0.014 0.000 0.827 369 E CB -0.111 29.596 29.700 0.011 0.000 0.735 369 E HN 0.773 nan 8.360 nan 0.000 0.470 370 S N -0.771 114.937 115.700 0.014 0.000 2.436 370 S HA -0.017 4.453 4.470 0.000 0.000 0.228 370 S C 0.684 175.295 174.600 0.017 0.000 1.014 370 S CA 0.375 58.584 58.200 0.015 0.000 0.950 370 S CB 0.096 63.305 63.200 0.016 0.000 0.784 370 S HN 0.056 nan 8.310 nan 0.000 0.504 371 K N 1.879 122.289 120.400 0.017 0.000 2.208 371 K HA 0.567 4.887 4.320 0.000 0.000 0.247 371 K C -1.077 175.530 176.600 0.012 0.000 0.953 371 K CA -0.687 55.610 56.287 0.016 0.000 0.837 371 K CB 1.251 33.760 32.500 0.015 0.000 1.131 371 K HN 0.518 nan 8.250 nan 0.000 0.431 372 N N -1.527 117.178 118.700 0.010 0.000 2.591 372 N HA 0.413 5.153 4.740 0.000 0.000 0.263 372 N C -1.177 174.333 175.510 -0.001 0.000 1.308 372 N CA -1.061 51.993 53.050 0.006 0.000 0.837 372 N CB 1.168 39.663 38.487 0.012 0.000 1.548 372 N HN 0.230 nan 8.380 nan 0.000 0.493 373 V N -2.523 117.386 119.914 -0.008 0.000 2.834 373 V HA 0.688 4.808 4.120 0.000 0.000 0.313 373 V C -0.213 175.877 176.094 -0.006 0.000 1.060 373 V CA -0.707 61.584 62.300 -0.016 0.000 0.989 373 V CB 1.510 33.310 31.823 -0.038 0.000 1.041 373 V HN 0.898 nan 8.190 nan 0.000 0.459 374 K N 2.953 123.350 120.400 -0.006 0.000 2.559 374 K HA 0.563 4.883 4.320 0.000 0.000 0.249 374 K C -1.482 175.116 176.600 -0.004 0.000 0.958 374 K CA -0.753 55.534 56.287 -0.000 0.000 0.901 374 K CB 1.611 34.116 32.500 0.007 0.000 1.124 374 K HN 0.823 nan 8.250 nan 0.000 0.437 375 L N 3.541 124.760 121.223 -0.006 0.000 2.312 375 L HA 0.485 4.825 4.340 0.000 0.000 0.281 375 L C -0.735 176.134 176.870 -0.001 0.000 1.070 375 L CA 0.527 55.362 54.840 -0.009 0.000 0.805 375 L CB 1.701 43.751 42.059 -0.015 0.000 1.174 375 L HN 0.642 nan 8.230 nan 0.000 0.434 376 T N 5.484 120.038 114.554 0.001 0.000 3.031 376 T HA 0.610 4.960 4.350 0.000 0.000 0.305 376 T C -1.288 173.416 174.700 0.006 0.000 0.985 376 T CA -0.215 61.888 62.100 0.005 0.000 1.008 376 T CB 0.597 69.469 68.868 0.007 0.000 1.005 376 T HN 0.857 nan 8.240 nan 0.000 0.444 377 V N 3.098 123.017 119.914 0.008 0.000 2.540 377 V HA 0.844 4.964 4.120 0.000 0.000 0.302 377 V C 0.296 176.393 176.094 0.006 0.000 1.035 377 V CA -0.160 62.145 62.300 0.009 0.000 0.873 377 V CB 1.777 33.610 31.823 0.016 0.000 0.992 377 V HN 0.936 nan 8.190 nan 0.000 0.428 378 S N 2.097 117.793 115.700 -0.006 0.000 2.663 378 S HA 0.294 4.764 4.470 0.000 0.000 0.243 378 S C 0.371 174.954 174.600 -0.028 0.000 1.009 378 S CA -0.489 57.705 58.200 -0.010 0.000 0.988 378 S CB -1.136 62.058 63.200 -0.011 0.000 0.896 378 S HN 0.882 nan 8.310 nan 0.000 0.502 379 N N 1.955 120.631 118.700 -0.040 0.000 2.167 379 N HA 0.174 4.914 4.740 0.000 0.000 0.258 379 N C -0.217 175.270 175.510 -0.038 0.000 1.241 379 N CA 0.472 53.476 53.050 -0.078 0.000 0.829 379 N CB 0.505 38.965 38.487 -0.046 0.000 1.072 379 N HN 0.422 nan 8.380 nan 0.000 0.466 380 V N 0.058 119.938 119.914 -0.057 0.000 2.769 380 V HA 0.495 4.615 4.120 0.000 0.000 0.312 380 V C 0.028 176.106 176.094 -0.027 0.000 1.061 380 V CA -1.182 61.099 62.300 -0.032 0.000 0.931 380 V CB 1.558 33.358 31.823 -0.038 0.000 1.010 380 V HN 0.426 nan 8.190 nan 0.000 0.433 381 L N 2.756 123.963 121.223 -0.026 0.000 2.461 381 L HA 0.478 4.818 4.340 0.000 0.000 0.272 381 L C 0.279 177.113 176.870 -0.059 0.000 1.197 381 L CA 0.133 54.946 54.840 -0.044 0.000 0.836 381 L CB 0.755 42.742 42.059 -0.121 0.000 1.105 381 L HN 0.855 nan 8.230 nan 0.000 0.477 382 K N 2.741 123.108 120.400 -0.056 0.000 2.581 382 K HA 0.227 4.547 4.320 0.000 0.000 0.249 382 K C -1.063 175.503 176.600 -0.056 0.000 0.966 382 K CA -0.621 55.635 56.287 -0.051 0.000 0.811 382 K CB 1.685 34.168 32.500 -0.027 0.000 1.223 382 K HN 0.563 nan 8.250 nan 0.000 0.438 383 E N 5.437 125.600 120.200 -0.061 0.000 2.316 383 E HA 0.275 4.625 4.350 0.000 0.000 0.275 383 E C -0.360 176.256 176.600 0.027 0.000 1.029 383 E CA -0.455 55.919 56.400 -0.043 0.000 0.871 383 E CB 0.598 30.236 29.700 -0.104 0.000 1.022 383 E HN 0.542 nan 8.360 nan 0.000 0.418 384 I N 0.187 120.802 120.570 0.075 0.000 3.174 384 I HA 0.530 4.700 4.170 0.000 0.000 0.313 384 I C -1.110 175.109 176.117 0.170 0.000 1.155 384 I CA -1.288 60.076 61.300 0.107 0.000 0.977 384 I CB 1.973 39.982 38.000 0.014 0.000 1.248 384 I HN 0.284 nan 8.210 nan 0.000 0.453 385 K N 3.199 123.652 120.400 0.089 0.000 2.265 385 K HA 0.627 4.947 4.320 0.000 0.000 0.267 385 K C -1.412 175.137 176.600 -0.085 0.000 0.994 385 K CA -0.539 55.658 56.287 -0.150 0.000 0.860 385 K CB 1.201 33.621 32.500 -0.133 0.000 1.099 385 K HN 0.643 nan 8.250 nan 0.000 0.448 386 I N 5.125 125.648 120.570 -0.077 0.000 2.498 386 I HA 0.331 4.501 4.170 0.000 0.000 0.301 386 I C -0.454 175.688 176.117 0.042 0.000 0.984 386 I CA -1.102 60.212 61.300 0.023 0.000 1.204 386 I CB 1.519 39.576 38.000 0.094 0.000 1.362 386 I HN 0.447 nan 8.210 nan 0.000 0.471 387 L N 5.510 126.765 121.223 0.054 0.000 2.376 387 L HA 0.426 4.766 4.340 0.000 0.000 0.275 387 L C -0.785 176.100 176.870 0.025 0.000 0.987 387 L CA -0.633 54.233 54.840 0.044 0.000 0.828 387 L CB 1.509 43.571 42.059 0.004 0.000 1.249 387 L HN 0.526 nan 8.230 nan 0.000 0.409 388 N N 3.978 122.702 118.700 0.040 0.000 2.437 388 N HA 0.426 5.166 4.740 0.000 0.000 0.259 388 N C -0.764 174.460 175.510 -0.477 0.000 0.983 388 N CA -0.417 52.515 53.050 -0.197 0.000 0.937 388 N CB 2.111 40.570 38.487 -0.047 0.000 1.122 388 N HN 0.334 nan 8.380 nan 0.000 0.499 389 I N 3.485 123.692 120.570 -0.606 0.000 2.331 389 I HA 0.352 4.522 4.170 0.000 0.000 0.292 389 I C -0.322 175.341 176.117 -0.757 0.000 0.998 389 I CA -0.212 60.773 61.300 -0.525 0.000 1.267 389 I CB 0.136 37.886 38.000 -0.416 0.000 1.386 389 I HN 0.274 nan 8.210 nan 0.000 0.476 390 F N 3.621 123.217 119.950 -0.590 0.000 2.556 390 F HA 0.852 5.379 4.527 0.000 0.000 0.327 390 F C 0.707 176.260 175.800 -0.411 0.000 1.059 390 F CA -0.908 56.601 58.000 -0.818 0.000 0.953 390 F CB 2.042 39.789 39.000 -2.088 0.000 1.227 390 F HN 0.425 nan 8.300 nan 0.000 0.478 391 G N 0.471 109.204 108.800 -0.112 0.000 2.740 391 G HA2 0.546 4.506 3.960 0.000 0.000 0.296 391 G HA3 0.546 4.506 3.960 0.000 0.000 0.296 391 G C -2.375 172.624 174.900 0.165 0.000 1.439 391 G CA -0.760 44.279 45.100 -0.102 0.000 1.066 391 G HN 0.681 nan 8.290 nan 0.000 0.527 392 V N 3.210 123.313 119.914 0.316 0.000 2.823 392 V HA 0.736 4.856 4.120 0.000 0.000 0.312 392 V C -0.864 175.334 176.094 0.173 0.000 1.072 392 V CA -1.115 61.350 62.300 0.275 0.000 0.937 392 V CB 1.871 33.842 31.823 0.248 0.000 1.013 392 V HN 0.627 nan 8.190 nan 0.000 0.430 393 I N 6.402 127.082 120.570 0.183 0.000 2.428 393 I HA 0.376 4.546 4.170 0.000 0.000 0.279 393 I C 0.291 176.448 176.117 0.066 0.000 1.040 393 I CA -0.585 60.801 61.300 0.143 0.000 1.171 393 I CB 1.092 39.244 38.000 0.253 0.000 1.312 393 I HN 0.569 nan 8.210 nan 0.000 0.470 394 K N 3.770 124.153 120.400 -0.028 0.000 2.527 394 K HA 0.122 4.442 4.320 0.000 0.000 0.278 394 K C 0.698 177.202 176.600 -0.161 0.000 0.981 394 K CA -0.051 56.177 56.287 -0.098 0.000 1.009 394 K CB 0.650 33.053 32.500 -0.161 0.000 0.895 394 K HN 0.701 nan 8.250 nan 0.000 0.493 395 G N 1.095 109.854 108.800 -0.069 0.000 2.572 395 G HA2 0.195 4.155 3.960 0.000 0.000 0.261 395 G HA3 0.195 4.155 3.960 0.000 0.000 0.261 395 G C -0.056 174.765 174.900 -0.132 0.000 1.197 395 G CA -0.568 44.533 45.100 0.002 0.000 0.870 395 G HN 0.522 nan 8.290 nan 0.000 0.548 396 F N 0.116 120.059 119.950 -0.012 0.000 2.776 396 F HA 0.178 4.705 4.527 0.000 0.000 0.300 396 F C 1.891 177.691 175.800 0.001 0.000 1.116 396 F CA 0.171 58.165 58.000 -0.011 0.000 1.375 396 F CB 0.563 39.549 39.000 -0.024 0.000 1.109 396 F HN 0.207 nan 8.300 nan 0.000 0.585 397 V N -1.692 118.313 119.914 0.153 0.000 3.103 397 V HA 0.126 4.246 4.120 0.000 0.000 0.229 397 V C -0.062 176.048 176.094 0.025 0.000 1.304 397 V CA 0.008 62.361 62.300 0.087 0.000 1.298 397 V CB 0.488 32.363 31.823 0.086 0.000 1.093 397 V HN -0.029 nan 8.190 nan 0.000 0.489 398 E N 1.104 121.313 120.200 0.016 0.000 3.108 398 E HA 0.272 4.622 4.350 0.000 0.000 0.228 398 E C -2.357 174.250 176.600 0.012 0.000 1.176 398 E CA -1.529 54.835 56.400 -0.059 0.000 0.881 398 E CB 1.766 31.373 29.700 -0.155 0.000 1.354 398 E HN 0.332 nan 8.360 nan 0.000 0.400 399 P HA -0.160 nan 4.420 nan 0.000 0.223 399 P C 0.929 178.305 177.300 0.126 0.000 1.151 399 P CA 0.850 63.980 63.100 0.050 0.000 0.787 399 P CB 0.171 31.853 31.700 -0.029 0.000 0.788 400 D N -1.706 118.746 120.400 0.088 0.000 2.351 400 D HA -0.161 4.479 4.640 0.000 0.000 0.216 400 D C 0.301 176.902 176.300 0.502 0.000 0.968 400 D CA 0.830 54.946 54.000 0.193 0.000 0.899 400 D CB -0.944 39.895 40.800 0.064 0.000 0.907 400 D HN 0.312 nan 8.370 nan 0.000 0.514 401 H N -1.053 118.212 119.070 0.325 0.000 2.499 401 H HA 0.479 5.035 4.556 0.000 0.000 0.340 401 H C -0.776 174.907 175.328 0.592 0.000 1.148 401 H CA -1.053 55.200 56.048 0.342 0.000 1.215 401 H CB 1.429 31.284 29.762 0.156 0.000 1.529 401 H HN 0.051 nan 8.280 nan 0.000 0.510 402 Y N -1.359 119.261 120.300 0.534 0.000 2.713 402 Y HA 0.501 5.051 4.550 0.000 0.000 0.335 402 Y C -1.842 173.930 175.900 -0.214 0.000 1.222 402 Y CA -1.257 57.013 58.100 0.285 0.000 1.061 402 Y CB 0.417 38.992 38.460 0.193 0.000 1.314 402 Y HN 0.252 nan 8.280 nan 0.000 0.453 403 V N 1.884 121.727 119.914 -0.120 0.000 2.630 403 V HA 0.699 4.819 4.120 0.000 0.000 0.305 403 V C -0.636 175.425 176.094 -0.055 0.000 1.046 403 V CA -0.900 61.177 62.300 -0.372 0.000 0.934 403 V CB 1.689 33.313 31.823 -0.331 0.000 1.003 403 V HN 0.664 nan 8.190 nan 0.000 0.451 404 V N 3.851 123.734 119.914 -0.052 0.000 2.540 404 V HA 0.560 4.680 4.120 0.000 0.000 0.302 404 V C -0.528 175.444 176.094 -0.203 0.000 1.035 404 V CA -0.572 61.772 62.300 0.072 0.000 0.873 404 V CB 1.925 34.033 31.823 0.475 0.000 0.992 404 V HN 0.574 nan 8.190 nan 0.000 0.428 405 V N 3.507 123.232 119.914 -0.315 0.000 2.487 405 V HA 0.946 5.066 4.120 0.000 0.000 0.298 405 V C 0.463 176.412 176.094 -0.241 0.000 1.028 405 V CA -0.020 62.036 62.300 -0.407 0.000 0.860 405 V CB 1.646 33.201 31.823 -0.447 0.000 0.991 405 V HN 1.047 nan 8.190 nan 0.000 0.427 406 G N 2.701 111.404 108.800 -0.163 0.000 2.694 406 G HA2 0.927 4.887 3.960 0.000 0.000 0.290 406 G HA3 0.927 4.887 3.960 0.000 0.000 0.290 406 G C -1.368 173.615 174.900 0.138 0.000 1.386 406 G CA -0.244 44.866 45.100 0.016 0.000 0.872 406 G HN 1.195 nan 8.290 nan 0.000 0.475 407 A N -0.284 122.598 122.820 0.104 0.000 2.589 407 A HA 0.708 5.028 4.320 0.000 0.000 0.296 407 A C -0.556 177.165 177.584 0.229 0.000 1.062 407 A CA -0.551 51.594 52.037 0.180 0.000 0.686 407 A CB 1.713 20.769 19.000 0.093 0.000 1.282 407 A HN 0.822 nan 8.150 nan 0.000 0.404 408 Q N 1.271 121.232 119.800 0.268 0.000 2.332 408 Q HA 0.288 4.628 4.340 0.000 0.000 0.263 408 Q C 0.579 176.666 176.000 0.146 0.000 0.979 408 Q CA -0.138 55.817 55.803 0.253 0.000 0.885 408 Q CB 0.710 29.578 28.738 0.217 0.000 1.218 408 Q HN 0.779 nan 8.270 nan 0.000 0.405 409 R N 2.667 123.242 120.500 0.126 0.000 2.221 409 R HA 0.015 4.355 4.340 0.000 0.000 0.195 409 R C -0.035 176.313 176.300 0.080 0.000 0.956 409 R CA 0.461 56.598 56.100 0.062 0.000 1.064 409 R CB 0.334 30.640 30.300 0.009 0.000 1.049 409 R HN 0.868 nan 8.270 nan 0.000 0.534 410 D N 0.359 120.832 120.400 0.122 0.000 2.360 410 D HA 0.314 4.954 4.640 0.000 0.000 0.242 410 D C -0.790 175.597 176.300 0.145 0.000 1.184 410 D CA -0.061 54.022 54.000 0.138 0.000 0.930 410 D CB 1.575 42.488 40.800 0.188 0.000 1.161 410 D HN 0.181 nan 8.370 nan 0.000 0.447 411 A N 0.110 123.012 122.820 0.137 0.000 2.594 411 A HA 0.270 4.590 4.320 0.000 0.000 0.296 411 A C -0.480 177.172 177.584 0.114 0.000 1.056 411 A CA -0.863 51.258 52.037 0.140 0.000 0.693 411 A CB 0.473 19.547 19.000 0.124 0.000 1.278 411 A HN 0.721 nan 8.150 nan 0.000 0.408 412 W N 2.420 123.657 121.300 -0.105 0.000 2.407 412 W HA 0.266 4.926 4.660 0.000 0.000 0.305 412 W C 1.234 177.707 176.519 -0.076 0.000 1.196 412 W CA 2.656 59.855 57.345 -0.243 0.000 1.311 412 W CB -0.142 29.043 29.460 -0.458 0.000 1.135 412 W HN 0.920 nan 8.180 nan 0.000 0.514 413 G N -0.821 107.948 108.800 -0.052 0.000 3.365 413 G HA2 0.173 4.133 3.960 0.000 0.000 0.185 413 G HA3 0.173 4.133 3.960 0.000 0.000 0.185 413 G C -1.848 173.016 174.900 -0.060 0.000 1.565 413 G CA 0.116 45.090 45.100 -0.210 0.000 0.984 413 G HN -0.106 nan 8.290 nan 0.000 0.604 414 P HA 0.111 nan 4.420 nan 0.000 0.221 414 P C 1.136 178.491 177.300 0.091 0.000 1.155 414 P CA 1.461 64.589 63.100 0.047 0.000 0.812 414 P CB 0.176 31.913 31.700 0.062 0.000 0.801 415 G N -0.243 108.635 108.800 0.130 0.000 2.341 415 G HA2 -0.298 3.662 3.960 0.000 0.000 0.292 415 G HA3 -0.298 3.662 3.960 0.000 0.000 0.292 415 G C 1.114 176.098 174.900 0.139 0.000 1.021 415 G CA 0.389 45.580 45.100 0.152 0.000 0.905 415 G HN 0.456 nan 8.290 nan 0.000 0.508 416 A N 0.003 122.916 122.820 0.154 0.000 1.849 416 A HA 0.180 4.500 4.320 0.000 0.000 0.217 416 A C 2.853 180.502 177.584 0.108 0.000 1.202 416 A CA 2.999 55.126 52.037 0.150 0.000 0.629 416 A CB -0.997 18.116 19.000 0.189 0.000 0.834 416 A HN 1.818 nan 8.150 nan 0.000 0.447 417 A N -1.107 121.767 122.820 0.089 0.000 1.929 417 A HA -0.068 4.252 4.320 0.000 0.000 0.216 417 A C 2.162 179.751 177.584 0.007 0.000 1.176 417 A CA 1.789 53.803 52.037 -0.039 0.000 0.628 417 A CB -0.377 18.452 19.000 -0.285 0.000 0.816 417 A HN 0.529 nan 8.150 nan 0.000 0.444 418 K N -1.087 119.365 120.400 0.087 0.000 2.155 418 K HA -0.037 4.283 4.320 0.000 0.000 0.203 418 K C 1.917 178.573 176.600 0.093 0.000 1.052 418 K CA 1.502 57.848 56.287 0.098 0.000 0.948 418 K CB -0.017 32.574 32.500 0.152 0.000 0.728 418 K HN 0.441 nan 8.250 nan 0.000 0.448 419 S N -1.705 114.051 115.700 0.095 0.000 3.056 419 S HA 0.143 4.613 4.470 0.000 0.000 0.255 419 S C 1.675 176.316 174.600 0.068 0.000 1.079 419 S CA 0.399 58.651 58.200 0.088 0.000 0.810 419 S CB -0.007 63.250 63.200 0.095 0.000 0.810 419 S HN 0.432 nan 8.310 nan 0.000 0.477 420 G N 2.190 111.033 108.800 0.071 0.000 2.587 420 G HA2 -0.184 3.776 3.960 0.000 0.000 0.217 420 G HA3 -0.184 3.776 3.960 0.000 0.000 0.217 420 G C 1.441 176.387 174.900 0.077 0.000 1.240 420 G CA 1.542 46.683 45.100 0.068 0.000 0.794 420 G HN 0.421 nan 8.290 nan 0.000 0.580 421 V N 1.860 121.820 119.914 0.077 0.000 2.278 421 V HA -0.199 3.921 4.120 0.000 0.000 0.251 421 V C 3.154 179.291 176.094 0.072 0.000 1.062 421 V CA 2.371 64.715 62.300 0.073 0.000 1.038 421 V CB -1.359 30.481 31.823 0.027 0.000 0.646 421 V HN 0.508 nan 8.190 nan 0.000 0.447 422 G N -0.640 108.192 108.800 0.054 0.000 2.480 422 G HA2 -0.285 3.675 3.960 0.000 0.000 0.216 422 G HA3 -0.285 3.675 3.960 0.000 0.000 0.216 422 G C 1.678 176.630 174.900 0.087 0.000 1.200 422 G CA 1.632 46.767 45.100 0.058 0.000 0.782 422 G HN 0.462 nan 8.290 nan 0.000 0.554 423 T N 1.631 116.230 114.554 0.075 0.000 2.759 423 T HA -0.016 4.334 4.350 0.000 0.000 0.269 423 T C 2.753 177.519 174.700 0.110 0.000 1.042 423 T CA 1.594 63.735 62.100 0.068 0.000 1.140 423 T CB -0.369 68.509 68.868 0.018 0.000 0.864 423 T HN 0.412 nan 8.240 nan 0.000 0.455 424 A N 1.337 124.232 122.820 0.125 0.000 1.877 424 A HA -0.002 4.318 4.320 0.000 0.000 0.216 424 A C 2.305 180.041 177.584 0.253 0.000 1.186 424 A CA 1.205 53.350 52.037 0.181 0.000 0.620 424 A CB -0.874 18.242 19.000 0.194 0.000 0.822 424 A HN 0.474 nan 8.150 nan 0.000 0.443 425 L N -1.140 120.223 121.223 0.234 0.000 2.042 425 L HA -0.211 4.129 4.340 0.000 0.000 0.210 425 L C 2.618 179.661 176.870 0.288 0.000 1.076 425 L CA 1.415 56.415 54.840 0.267 0.000 0.749 425 L CB -0.593 41.567 42.059 0.168 0.000 0.893 425 L HN 0.480 nan 8.230 nan 0.000 0.432 426 L N -0.216 121.156 121.223 0.248 0.000 2.017 426 L HA -0.225 4.115 4.340 0.000 0.000 0.208 426 L C 2.391 179.476 176.870 0.359 0.000 1.073 426 L CA 1.670 56.696 54.840 0.309 0.000 0.745 426 L CB -0.324 41.878 42.059 0.239 0.000 0.894 426 L HN 0.079 nan 8.230 nan 0.000 0.432 427 L N -0.740 120.670 121.223 0.313 0.000 1.989 427 L HA -0.245 4.095 4.340 0.000 0.000 0.211 427 L C 2.731 179.790 176.870 0.315 0.000 1.071 427 L CA 1.304 56.373 54.840 0.381 0.000 0.749 427 L CB -0.785 41.448 42.059 0.290 0.000 0.890 427 L HN 0.205 nan 8.230 nan 0.000 0.431 428 K N 0.297 120.829 120.400 0.221 0.000 2.009 428 K HA -0.159 4.161 4.320 0.000 0.000 0.210 428 K C 2.120 178.779 176.600 0.097 0.000 1.049 428 K CA 1.477 57.819 56.287 0.092 0.000 0.929 428 K CB -0.926 31.670 32.500 0.160 0.000 0.714 428 K HN 0.240 nan 8.250 nan 0.000 0.440 429 L N 0.742 122.131 121.223 0.278 0.000 2.013 429 L HA -0.244 4.096 4.340 0.000 0.000 0.212 429 L C 2.545 179.612 176.870 0.328 0.000 1.073 429 L CA 1.627 56.729 54.840 0.436 0.000 0.753 429 L CB -0.655 41.755 42.059 0.586 0.000 0.890 429 L HN 0.173 nan 8.230 nan 0.000 0.432 430 A N -1.039 121.711 122.820 -0.117 0.000 1.972 430 A HA -0.269 4.051 4.320 0.000 0.000 0.219 430 A C 2.236 179.571 177.584 -0.415 0.000 1.169 430 A CA 1.861 53.351 52.037 -0.912 0.000 0.635 430 A CB -0.463 17.968 19.000 -0.947 0.000 0.810 430 A HN 0.538 nan 8.150 nan 0.000 0.446 431 Q N -0.856 118.643 119.800 -0.501 0.000 1.969 431 Q HA -0.102 4.238 4.340 0.000 0.000 0.198 431 Q C 2.152 177.915 176.000 -0.394 0.000 0.978 431 Q CA 1.480 56.737 55.803 -0.909 0.000 0.830 431 Q CB -0.217 27.834 28.738 -1.144 0.000 0.896 431 Q HN 0.649 nan 8.270 nan 0.000 0.431 432 M N -0.291 119.152 119.600 -0.262 0.000 2.108 432 M HA -0.230 4.250 4.480 0.000 0.000 0.257 432 M C 1.836 178.003 176.300 -0.222 0.000 1.071 432 M CA 1.689 56.841 55.300 -0.246 0.000 1.093 432 M CB -0.343 32.088 32.600 -0.281 0.000 1.345 432 M HN 0.230 nan 8.290 nan 0.000 0.403 433 F N -0.852 119.097 119.950 -0.001 0.000 2.407 433 F HA -0.099 4.428 4.527 0.000 0.000 0.299 433 F C 2.799 178.683 175.800 0.139 0.000 1.097 433 F CA 1.059 59.146 58.000 0.145 0.000 1.422 433 F CB -0.433 38.753 39.000 0.310 0.000 1.067 433 F HN 0.121 nan 8.300 nan 0.000 0.539 434 S N -0.282 115.503 115.700 0.142 0.000 2.371 434 S HA -0.149 4.321 4.470 0.000 0.000 0.224 434 S C 1.858 176.505 174.600 0.079 0.000 1.029 434 S CA 1.330 59.590 58.200 0.100 0.000 0.978 434 S CB -0.273 62.935 63.200 0.013 0.000 0.833 434 S HN 0.231 nan 8.310 nan 0.000 0.466 435 D N 1.426 121.823 120.400 -0.006 0.000 2.081 435 D HA -0.101 4.539 4.640 0.000 0.000 0.194 435 D C 2.080 178.404 176.300 0.040 0.000 0.986 435 D CA 1.253 55.244 54.000 -0.015 0.000 0.837 435 D CB -0.565 40.183 40.800 -0.085 0.000 0.985 435 D HN 0.371 nan 8.370 nan 0.000 0.448 436 M N 0.390 120.004 119.600 0.023 0.000 2.153 436 M HA -0.221 4.259 4.480 0.000 0.000 0.253 436 M C 2.283 178.731 176.300 0.246 0.000 1.081 436 M CA 1.233 56.581 55.300 0.081 0.000 1.076 436 M CB -0.320 32.279 32.600 -0.001 0.000 1.350 436 M HN -0.058 nan 8.290 nan 0.000 0.401 437 V N 0.112 120.211 119.914 0.308 0.000 2.346 437 V HA -0.197 3.923 4.120 0.000 0.000 0.244 437 V C 2.145 178.356 176.094 0.196 0.000 1.037 437 V CA 1.399 63.875 62.300 0.293 0.000 1.029 437 V CB -0.330 31.688 31.823 0.325 0.000 0.663 437 V HN 0.455 nan 8.190 nan 0.000 0.454 438 L N -1.043 120.269 121.223 0.147 0.000 2.209 438 L HA -0.030 4.310 4.340 0.000 0.000 0.207 438 L C 2.269 179.182 176.870 0.070 0.000 1.094 438 L CA 1.298 56.200 54.840 0.105 0.000 0.790 438 L CB -0.334 41.774 42.059 0.082 0.000 0.932 438 L HN 0.280 nan 8.230 nan 0.000 0.447 439 K N -0.273 120.160 120.400 0.055 0.000 2.253 439 K HA 0.047 4.367 4.320 0.000 0.000 0.225 439 K C 1.222 177.837 176.600 0.025 0.000 1.037 439 K CA 0.185 56.489 56.287 0.027 0.000 0.928 439 K CB -0.006 32.494 32.500 0.001 0.000 1.057 439 K HN 0.013 nan 8.250 nan 0.000 0.462 440 D N 1.053 121.464 120.400 0.018 0.000 2.417 440 D HA -0.073 4.567 4.640 0.000 0.000 0.225 440 D C 0.609 176.934 176.300 0.040 0.000 0.983 440 D CA 1.124 55.130 54.000 0.010 0.000 0.949 440 D CB -0.304 40.484 40.800 -0.019 0.000 0.879 440 D HN 0.645 nan 8.370 nan 0.000 0.520 441 G N 1.663 110.498 108.800 0.060 0.000 2.323 441 G HA2 -0.317 3.643 3.960 0.000 0.000 0.292 441 G HA3 -0.317 3.643 3.960 0.000 0.000 0.292 441 G C 0.028 174.967 174.900 0.066 0.000 1.040 441 G CA -0.052 45.073 45.100 0.042 0.000 0.942 441 G HN 0.366 nan 8.290 nan 0.000 0.506 442 F N 0.399 120.327 119.950 -0.037 0.000 2.429 442 F HA 0.567 5.094 4.527 0.000 0.000 0.348 442 F C 0.526 176.246 175.800 -0.133 0.000 1.109 442 F CA -0.935 57.050 58.000 -0.026 0.000 1.232 442 F CB 0.921 39.956 39.000 0.059 0.000 1.157 442 F HN 0.223 nan 8.300 nan 0.000 0.564 443 Q N 7.478 126.924 119.800 -0.589 0.000 3.244 443 Q HA 0.255 4.595 4.340 0.000 0.000 0.249 443 Q C -2.501 173.119 176.000 -0.633 0.000 0.951 443 Q CA -2.048 53.089 55.803 -1.110 0.000 0.740 443 Q CB 1.210 29.278 28.738 -1.116 0.000 1.334 443 Q HN 0.437 nan 8.270 nan 0.000 0.448 444 P HA 0.000 nan 4.420 nan 0.000 0.267 444 P C 0.174 177.590 177.300 0.194 0.000 1.205 444 P CA 0.352 63.375 63.100 -0.127 0.000 0.765 444 P CB 1.647 33.281 31.700 -0.110 0.000 0.828 445 S N 2.771 118.586 115.700 0.192 0.000 2.402 445 S HA -0.069 4.401 4.470 0.000 0.000 0.229 445 S C 0.995 175.703 174.600 0.180 0.000 1.021 445 S CA 0.984 59.291 58.200 0.179 0.000 0.974 445 S CB -0.141 63.131 63.200 0.120 0.000 0.800 445 S HN 0.523 nan 8.310 nan 0.000 0.484 446 R N 0.647 121.281 120.500 0.222 0.000 2.873 446 R HA 0.558 4.898 4.340 0.000 0.000 0.264 446 R C -0.367 176.099 176.300 0.277 0.000 1.026 446 R CA -0.475 55.790 56.100 0.274 0.000 1.002 446 R CB 1.178 31.711 30.300 0.389 0.000 1.174 446 R HN 0.018 nan 8.270 nan 0.000 0.488 447 S N 0.785 116.663 115.700 0.296 0.000 2.614 447 S HA 0.412 4.882 4.470 0.000 0.000 0.265 447 S C 0.176 174.915 174.600 0.231 0.000 1.303 447 S CA -0.348 57.986 58.200 0.224 0.000 1.000 447 S CB 0.451 63.746 63.200 0.158 0.000 0.935 447 S HN 0.332 nan 8.310 nan 0.000 0.551 448 I N 1.460 122.113 120.570 0.138 0.000 2.499 448 I HA 0.421 4.591 4.170 0.000 0.000 0.288 448 I C -0.944 175.155 176.117 -0.030 0.000 1.048 448 I CA -0.294 61.004 61.300 -0.003 0.000 1.062 448 I CB 1.398 39.355 38.000 -0.071 0.000 1.238 448 I HN 0.397 nan 8.210 nan 0.000 0.426 449 I N 5.622 126.132 120.570 -0.100 0.000 2.377 449 I HA 0.393 4.563 4.170 0.000 0.000 0.293 449 I C -1.029 174.895 176.117 -0.321 0.000 0.987 449 I CA -0.507 60.785 61.300 -0.012 0.000 1.185 449 I CB 1.502 39.631 38.000 0.216 0.000 1.341 449 I HN 0.326 nan 8.210 nan 0.000 0.455 450 F N 4.809 124.680 119.950 -0.132 0.000 2.444 450 F HA 0.669 5.196 4.527 0.000 0.000 0.342 450 F C 0.358 176.013 175.800 -0.241 0.000 1.121 450 F CA -0.531 57.353 58.000 -0.193 0.000 0.997 450 F CB 1.745 40.547 39.000 -0.330 0.000 1.130 450 F HN 0.386 nan 8.300 nan 0.000 0.454 451 A N 1.889 124.533 122.820 -0.293 0.000 2.393 451 A HA 0.669 4.989 4.320 0.000 0.000 0.306 451 A C -0.819 176.225 177.584 -0.901 0.000 1.050 451 A CA -0.695 50.821 52.037 -0.868 0.000 0.724 451 A CB 1.601 19.636 19.000 -1.609 0.000 1.248 451 A HN 0.543 nan 8.150 nan 0.000 0.424 452 S N 2.236 117.437 115.700 -0.832 0.000 2.520 452 S HA 0.607 5.077 4.470 0.000 0.000 0.324 452 S C -0.979 173.320 174.600 -0.502 0.000 1.069 452 S CA -0.428 57.452 58.200 -0.533 0.000 1.121 452 S CB -0.213 62.775 63.200 -0.354 0.000 0.971 452 S HN 0.524 nan 8.310 nan 0.000 0.463 453 W N 2.589 123.813 121.300 -0.126 0.000 2.415 453 W HA 0.730 5.390 4.660 0.000 0.000 0.355 453 W C 0.722 177.232 176.519 -0.014 0.000 1.161 453 W CA -0.871 56.422 57.345 -0.086 0.000 1.315 453 W CB 0.596 30.054 29.460 -0.003 0.000 1.261 453 W HN 0.486 nan 8.180 nan 0.000 0.636 454 S N 0.129 115.996 115.700 0.278 0.000 2.677 454 S HA 0.596 5.066 4.470 0.000 0.000 0.304 454 S C 0.215 174.932 174.600 0.194 0.000 1.108 454 S CA -0.025 58.290 58.200 0.192 0.000 0.944 454 S CB 1.072 64.347 63.200 0.125 0.000 1.127 454 S HN 1.617 nan 8.310 nan 0.000 0.511 455 A N 0.322 123.267 122.820 0.208 0.000 2.872 455 A HA -0.128 4.192 4.320 0.000 0.000 0.273 455 A C 1.255 179.025 177.584 0.310 0.000 1.442 455 A CA 1.434 53.630 52.037 0.267 0.000 0.801 455 A CB -2.254 16.809 19.000 0.105 0.000 1.031 455 A HN 1.431 nan 8.150 nan 0.000 0.582 456 G N -0.907 108.056 108.800 0.273 0.000 2.430 456 G HA2 0.012 3.972 3.960 0.000 0.000 0.216 456 G HA3 0.012 3.972 3.960 0.000 0.000 0.216 456 G C 0.926 175.960 174.900 0.223 0.000 1.146 456 G CA 1.215 46.442 45.100 0.211 0.000 0.793 456 G HN 0.542 nan 8.290 nan 0.000 0.537 457 D N 0.164 120.727 120.400 0.271 0.000 2.309 457 D HA -0.035 4.605 4.640 0.000 0.000 0.212 457 D C 1.175 177.503 176.300 0.047 0.000 0.968 457 D CA 0.498 54.610 54.000 0.187 0.000 0.882 457 D CB -0.124 40.771 40.800 0.158 0.000 0.918 457 D HN 0.377 nan 8.370 nan 0.000 0.503 458 F N -0.768 119.265 119.950 0.137 0.000 2.641 458 F HA 0.355 4.882 4.527 0.000 0.000 0.302 458 F C 1.413 176.920 175.800 -0.488 0.000 1.098 458 F CA -0.002 57.981 58.000 -0.028 0.000 1.318 458 F CB 0.678 39.803 39.000 0.210 0.000 1.035 458 F HN -0.095 nan 8.300 nan 0.000 0.551 459 G N -0.273 108.430 108.800 -0.162 0.000 2.629 459 G HA2 -0.116 3.844 3.960 0.000 0.000 0.154 459 G HA3 -0.116 3.844 3.960 0.000 0.000 0.154 459 G C 0.406 175.327 174.900 0.036 0.000 1.077 459 G CA -0.412 44.640 45.100 -0.079 0.000 0.831 459 G HN 0.124 nan 8.290 nan 0.000 0.495 460 S N -2.265 113.470 115.700 0.058 0.000 3.559 460 S HA -0.281 4.189 4.470 0.000 0.000 0.369 460 S C 1.991 176.552 174.600 -0.066 0.000 0.987 460 S CA 0.934 59.131 58.200 -0.006 0.000 1.187 460 S CB -1.529 61.660 63.200 -0.018 0.000 0.914 460 S HN 1.417 nan 8.310 nan 0.000 0.480 461 V N 1.099 121.010 119.914 -0.006 0.000 2.261 461 V HA -0.190 3.930 4.120 0.000 0.000 0.246 461 V C 2.771 178.802 176.094 -0.105 0.000 1.047 461 V CA 2.407 64.677 62.300 -0.050 0.000 1.015 461 V CB -1.408 30.422 31.823 0.011 0.000 0.642 461 V HN 0.735 nan 8.190 nan 0.000 0.446 462 G N -0.236 108.552 108.800 -0.019 0.000 2.491 462 G HA2 -0.282 3.678 3.960 0.000 0.000 0.218 462 G HA3 -0.282 3.678 3.960 0.000 0.000 0.218 462 G C 1.782 176.647 174.900 -0.057 0.000 1.180 462 G CA 1.362 46.500 45.100 0.064 0.000 0.774 462 G HN 0.636 nan 8.290 nan 0.000 0.562 463 A N -0.002 122.529 122.820 -0.481 0.000 1.902 463 A HA -0.029 4.291 4.320 0.000 0.000 0.217 463 A C 2.545 179.834 177.584 -0.492 0.000 1.181 463 A CA 2.548 53.934 52.037 -1.085 0.000 0.623 463 A CB -0.976 17.176 19.000 -1.414 0.000 0.818 463 A HN 0.322 nan 8.150 nan 0.000 0.443 464 T N -0.052 114.293 114.554 -0.348 0.000 2.777 464 T HA -0.097 4.253 4.350 0.000 0.000 0.266 464 T C 1.789 176.346 174.700 -0.239 0.000 1.040 464 T CA 1.419 63.347 62.100 -0.286 0.000 1.141 464 T CB -0.224 68.502 68.868 -0.236 0.000 0.868 464 T HN 0.457 nan 8.240 nan 0.000 0.444 465 E N 0.118 120.163 120.200 -0.257 0.000 2.153 465 E HA -0.115 4.235 4.350 0.000 0.000 0.194 465 E C 1.743 178.296 176.600 -0.078 0.000 0.988 465 E CA 0.750 56.922 56.400 -0.379 0.000 0.811 465 E CB -0.326 28.844 29.700 -0.884 0.000 0.746 465 E HN 0.638 nan 8.360 nan 0.000 0.466 466 W N 1.564 122.879 121.300 0.025 0.000 2.354 466 W HA -0.112 4.548 4.660 0.000 0.000 0.315 466 W C 2.071 178.751 176.519 0.268 0.000 1.206 466 W CA 1.280 58.867 57.345 0.404 0.000 1.290 466 W CB -0.608 29.258 29.460 0.678 0.000 1.152 466 W HN -0.026 nan 8.180 nan 0.000 0.489 467 L N 0.320 121.614 121.223 0.117 0.000 2.079 467 L HA -0.236 4.104 4.340 0.000 0.000 0.210 467 L C 2.302 179.207 176.870 0.059 0.000 1.081 467 L CA 1.882 56.699 54.840 -0.038 0.000 0.752 467 L CB -0.860 41.160 42.059 -0.064 0.000 0.896 467 L HN 0.071 nan 8.230 nan 0.000 0.433 468 E N -0.340 119.873 120.200 0.022 0.000 2.158 468 E HA -0.086 4.264 4.350 0.000 0.000 0.191 468 E C 2.244 178.814 176.600 -0.051 0.000 0.982 468 E CA 0.763 57.176 56.400 0.022 0.000 0.823 468 E CB -0.169 29.446 29.700 -0.142 0.000 0.766 468 E HN 0.543 nan 8.360 nan 0.000 0.468 469 G N 0.636 109.350 108.800 -0.144 0.000 2.404 469 G HA2 -0.208 3.752 3.960 0.000 0.000 0.214 469 G HA3 -0.208 3.752 3.960 0.000 0.000 0.214 469 G C 0.758 175.369 174.900 -0.482 0.000 1.189 469 G CA 0.366 45.303 45.100 -0.271 0.000 0.789 469 G HN 0.233 nan 8.290 nan 0.000 0.533 470 Y N 0.539 120.799 120.300 -0.068 0.000 2.683 470 Y HA 0.366 4.916 4.550 0.000 0.000 0.297 470 Y C 1.854 177.653 175.900 -0.168 0.000 1.147 470 Y CA -0.879 57.127 58.100 -0.156 0.000 1.274 470 Y CB 0.192 38.451 38.460 -0.335 0.000 1.143 470 Y HN 0.141 nan 8.280 nan 0.000 0.527 471 L N 0.865 122.059 121.223 -0.050 0.000 1.976 471 L HA -0.366 3.974 4.340 0.000 0.000 0.223 471 L C 2.478 179.326 176.870 -0.037 0.000 1.081 471 L CA 2.663 57.466 54.840 -0.062 0.000 0.784 471 L CB -0.873 41.153 42.059 -0.055 0.000 0.896 471 L HN 0.363 nan 8.230 nan 0.000 0.438 472 S N -2.041 113.648 115.700 -0.019 0.000 2.440 472 S HA -0.171 4.299 4.470 0.000 0.000 0.238 472 S C 1.857 176.486 174.600 0.049 0.000 1.010 472 S CA 1.416 59.617 58.200 0.002 0.000 0.972 472 S CB -0.799 62.401 63.200 -0.000 0.000 0.774 472 S HN 0.564 nan 8.310 nan 0.000 0.501 473 S N 0.981 116.722 115.700 0.068 0.000 2.478 473 S HA 0.288 4.758 4.470 0.000 0.000 0.222 473 S C 1.367 176.035 174.600 0.113 0.000 1.008 473 S CA 0.315 58.572 58.200 0.093 0.000 0.928 473 S CB -0.174 63.090 63.200 0.106 0.000 0.781 473 S HN 0.312 nan 8.310 nan 0.000 0.518 474 L N 0.549 121.808 121.223 0.060 0.000 2.354 474 L HA 0.235 4.575 4.340 0.000 0.000 0.212 474 L C 0.789 177.651 176.870 -0.014 0.000 1.091 474 L CA 0.493 55.351 54.840 0.031 0.000 0.828 474 L CB -1.049 40.993 42.059 -0.028 0.000 0.973 474 L HN 0.257 nan 8.230 nan 0.000 0.461 475 H N 1.418 120.414 119.070 -0.123 0.000 3.237 475 H HA -0.022 4.534 4.556 0.000 0.000 0.270 475 H C 0.846 176.040 175.328 -0.223 0.000 0.900 475 H CA 0.194 56.117 56.048 -0.208 0.000 1.415 475 H CB -0.250 29.372 29.762 -0.234 0.000 1.484 475 H HN 0.163 nan 8.280 nan 0.000 0.540 476 L N 3.081 123.985 121.223 -0.532 0.000 4.429 476 L HA -0.377 3.963 4.340 0.000 0.000 0.422 476 L C 1.020 177.653 176.870 -0.395 0.000 1.149 476 L CA 0.970 55.488 54.840 -0.537 0.000 0.972 476 L CB -1.068 40.540 42.059 -0.752 0.000 2.059 476 L HN 0.558 nan 8.230 nan 0.000 0.870 477 K N 0.108 120.340 120.400 -0.280 0.000 2.325 477 K HA 0.393 4.713 4.320 0.000 0.000 0.203 477 K C 0.969 177.297 176.600 -0.452 0.000 1.128 477 K CA 1.042 57.191 56.287 -0.231 0.000 0.931 477 K CB 0.278 32.785 32.500 0.011 0.000 1.125 477 K HN 0.239 nan 8.250 nan 0.000 0.487 478 A N 2.135 124.636 122.820 -0.531 0.000 2.347 478 A HA 0.355 4.675 4.320 0.000 0.000 0.287 478 A C 0.417 177.874 177.584 -0.211 0.000 1.199 478 A CA -0.285 51.397 52.037 -0.592 0.000 0.851 478 A CB -0.569 18.293 19.000 -0.230 0.000 1.118 478 A HN 0.338 nan 8.150 nan 0.000 0.525 479 F N 0.527 120.350 119.950 -0.212 0.000 2.682 479 F HA 0.492 5.019 4.527 0.000 0.000 0.308 479 F C 0.129 175.913 175.800 -0.027 0.000 1.093 479 F CA -0.221 57.706 58.000 -0.121 0.000 1.244 479 F CB 0.215 39.121 39.000 -0.155 0.000 1.052 479 F HN 0.304 nan 8.300 nan 0.000 0.573 480 T N -0.074 114.220 114.554 -0.434 0.000 3.087 480 T HA 0.258 4.608 4.350 0.000 0.000 0.351 480 T C -2.481 172.113 174.700 -0.176 0.000 1.520 480 T CA -0.531 61.428 62.100 -0.235 0.000 1.111 480 T CB 1.741 70.461 68.868 -0.247 0.000 1.353 480 T HN 0.159 nan 8.240 nan 0.000 0.481 481 Y N 2.885 123.050 120.300 -0.225 0.000 2.409 481 Y HA 0.807 5.357 4.550 0.000 0.000 0.343 481 Y C -1.492 174.278 175.900 -0.217 0.000 0.973 481 Y CA -1.243 56.660 58.100 -0.327 0.000 1.064 481 Y CB 0.971 39.012 38.460 -0.699 0.000 1.207 481 Y HN 0.613 nan 8.280 nan 0.000 0.452 482 I N 6.359 126.334 120.570 -0.991 0.000 2.418 482 I HA 0.282 4.452 4.170 0.000 0.000 0.287 482 I C -0.697 174.916 176.117 -0.840 0.000 1.008 482 I CA -0.698 60.254 61.300 -0.580 0.000 1.104 482 I CB 1.545 39.444 38.000 -0.169 0.000 1.264 482 I HN 0.638 nan 8.210 nan 0.000 0.438 483 N N 6.049 124.470 118.700 -0.464 0.000 2.473 483 N HA 0.431 5.171 4.740 0.000 0.000 0.291 483 N C 0.071 175.469 175.510 -0.188 0.000 1.083 483 N CA -0.401 52.518 53.050 -0.219 0.000 0.951 483 N CB 1.757 40.293 38.487 0.082 0.000 1.164 483 N HN 0.606 nan 8.380 nan 0.000 0.480 484 L N 1.045 122.207 121.223 -0.102 0.000 2.766 484 L HA 0.237 4.577 4.340 0.000 0.000 0.242 484 L C -0.067 176.738 176.870 -0.107 0.000 1.136 484 L CA -0.235 54.524 54.840 -0.134 0.000 0.933 484 L CB 0.153 42.209 42.059 -0.006 0.000 1.241 484 L HN 0.396 nan 8.230 nan 0.000 0.522 485 D N 2.156 122.532 120.400 -0.040 0.000 2.443 485 D HA 0.004 4.644 4.640 0.000 0.000 0.239 485 D C 0.458 176.714 176.300 -0.073 0.000 1.136 485 D CA 0.254 54.249 54.000 -0.008 0.000 0.879 485 D CB 0.610 41.447 40.800 0.062 0.000 1.195 485 D HN 0.016 nan 8.370 nan 0.000 0.443 486 K N 0.479 120.851 120.400 -0.047 0.000 3.078 486 K HA -0.257 4.063 4.320 0.000 0.000 0.261 486 K C 0.726 177.256 176.600 -0.117 0.000 0.947 486 K CA 0.418 56.661 56.287 -0.073 0.000 0.702 486 K CB -1.270 31.199 32.500 -0.052 0.000 1.318 486 K HN 0.504 nan 8.250 nan 0.000 0.473 487 A N 0.089 122.833 122.820 -0.127 0.000 2.066 487 A HA 0.055 4.375 4.320 0.000 0.000 0.218 487 A C 0.839 178.444 177.584 0.036 0.000 1.157 487 A CA 0.911 52.865 52.037 -0.139 0.000 0.670 487 A CB 0.589 19.501 19.000 -0.147 0.000 0.804 487 A HN 0.128 nan 8.150 nan 0.000 0.453 488 V N 0.461 120.377 119.914 0.003 0.000 2.409 488 V HA 0.397 4.517 4.120 0.000 0.000 0.290 488 V C 0.132 176.166 176.094 -0.101 0.000 1.017 488 V CA -0.192 62.125 62.300 0.028 0.000 0.841 488 V CB 1.263 33.090 31.823 0.007 0.000 1.003 488 V HN 0.407 nan 8.190 nan 0.000 0.426 489 L N 3.401 124.582 121.223 -0.069 0.000 3.174 489 L HA 0.654 4.994 4.340 0.000 0.000 0.283 489 L C 0.940 177.813 176.870 0.005 0.000 1.187 489 L CA 0.495 55.231 54.840 -0.173 0.000 1.018 489 L CB 1.113 43.107 42.059 -0.109 0.000 1.433 489 L HN 0.784 nan 8.230 nan 0.000 0.593 490 G N -1.020 107.818 108.800 0.062 0.000 2.510 490 G HA2 0.375 4.335 3.960 0.000 0.000 0.277 490 G HA3 0.375 4.335 3.960 0.000 0.000 0.277 490 G C -0.299 174.680 174.900 0.131 0.000 1.223 490 G CA 0.605 45.765 45.100 0.101 0.000 0.887 490 G HN -0.275 nan 8.290 nan 0.000 0.485 491 T N -0.454 114.190 114.554 0.150 0.000 3.254 491 T HA 0.159 4.509 4.350 0.000 0.000 0.267 491 T C 2.429 177.302 174.700 0.288 0.000 0.946 491 T CA 1.073 63.290 62.100 0.196 0.000 0.991 491 T CB -0.151 68.818 68.868 0.169 0.000 1.205 491 T HN 0.356 nan 8.240 nan 0.000 0.494 492 S N 2.633 118.462 115.700 0.216 0.000 2.378 492 S HA -0.072 4.398 4.470 0.000 0.000 0.229 492 S C 0.953 175.704 174.600 0.251 0.000 1.052 492 S CA 1.274 59.600 58.200 0.211 0.000 1.084 492 S CB -0.243 63.027 63.200 0.117 0.000 0.950 492 S HN 0.490 nan 8.310 nan 0.000 0.440 493 N N -0.487 118.325 118.700 0.186 0.000 2.457 493 N HA 0.510 5.250 4.740 0.000 0.000 0.290 493 N C -1.370 174.220 175.510 0.135 0.000 1.232 493 N CA -0.528 52.615 53.050 0.155 0.000 0.852 493 N CB 1.208 39.737 38.487 0.070 0.000 1.313 493 N HN 0.218 nan 8.380 nan 0.000 0.522 494 F N 1.056 120.933 119.950 -0.121 0.000 2.610 494 F HA 0.440 4.967 4.527 0.000 0.000 0.355 494 F C -0.880 174.802 175.800 -0.197 0.000 1.140 494 F CA -0.700 57.089 58.000 -0.351 0.000 1.037 494 F CB 0.618 39.327 39.000 -0.485 0.000 1.287 494 F HN 0.193 nan 8.300 nan 0.000 0.457 495 K N 3.341 123.392 120.400 -0.582 0.000 2.139 495 K HA 0.876 5.196 4.320 0.000 0.000 0.243 495 K C -1.319 174.940 176.600 -0.569 0.000 0.983 495 K CA -0.867 55.164 56.287 -0.428 0.000 0.890 495 K CB 2.185 34.552 32.500 -0.222 0.000 1.090 495 K HN 0.388 nan 8.250 nan 0.000 0.445 496 V N 0.455 120.192 119.914 -0.295 0.000 2.891 496 V HA 0.444 4.564 4.120 0.000 0.000 0.304 496 V C -1.377 174.690 176.094 -0.045 0.000 1.171 496 V CA -0.698 61.501 62.300 -0.168 0.000 0.943 496 V CB 2.454 34.199 31.823 -0.129 0.000 1.037 496 V HN 0.719 nan 8.190 nan 0.000 0.427 497 S N 2.596 118.284 115.700 -0.021 0.000 2.594 497 S HA 0.959 5.429 4.470 0.000 0.000 0.296 497 S C -0.443 174.145 174.600 -0.019 0.000 1.124 497 S CA 0.119 58.302 58.200 -0.028 0.000 1.011 497 S CB 1.732 64.901 63.200 -0.051 0.000 1.016 497 S HN 1.379 nan 8.310 nan 0.000 0.485 498 A N 1.761 124.555 122.820 -0.043 0.000 2.515 498 A HA 0.768 5.088 4.320 0.000 0.000 0.292 498 A C -0.399 177.010 177.584 -0.291 0.000 1.065 498 A CA -0.695 51.279 52.037 -0.106 0.000 0.641 498 A CB 0.501 19.495 19.000 -0.010 0.000 1.306 498 A HN 0.770 nan 8.150 nan 0.000 0.441 499 S N 0.089 115.573 115.700 -0.361 0.000 2.568 499 S HA 0.339 4.809 4.470 0.000 0.000 0.282 499 S C -1.474 172.699 174.600 -0.712 0.000 1.338 499 S CA -0.223 57.679 58.200 -0.497 0.000 1.045 499 S CB 0.447 63.519 63.200 -0.213 0.000 0.873 499 S HN 0.346 nan 8.310 nan 0.000 0.516 500 P HA -0.048 nan 4.420 nan 0.000 0.219 500 P C 1.196 177.960 177.300 -0.894 0.000 1.146 500 P CA 0.962 63.072 63.100 -1.651 0.000 0.808 500 P CB -0.010 30.894 31.700 -1.327 0.000 0.779 501 L N -1.693 119.282 121.223 -0.414 0.000 2.349 501 L HA -0.128 4.212 4.340 0.000 0.000 0.220 501 L C 1.698 178.494 176.870 -0.123 0.000 1.130 501 L CA 1.091 55.857 54.840 -0.123 0.000 0.791 501 L CB -0.588 41.520 42.059 0.082 0.000 0.918 501 L HN 0.042 nan 8.230 nan 0.000 0.444 502 L N -2.504 118.619 121.223 -0.168 0.000 2.769 502 L HA 0.048 4.388 4.340 0.000 0.000 0.240 502 L C 1.771 178.698 176.870 0.095 0.000 1.163 502 L CA -0.431 54.356 54.840 -0.089 0.000 0.962 502 L CB -0.154 41.809 42.059 -0.160 0.000 1.258 502 L HN 0.091 nan 8.230 nan 0.000 0.513 503 Y N 1.042 121.336 120.300 -0.010 0.000 2.089 503 Y HA -0.205 4.345 4.550 0.000 0.000 0.282 503 Y C 2.808 178.842 175.900 0.224 0.000 1.139 503 Y CA 1.265 59.469 58.100 0.174 0.000 1.123 503 Y CB -1.233 37.241 38.460 0.023 0.000 0.980 503 Y HN 0.146 nan 8.280 nan 0.000 0.493 504 T N 1.197 115.899 114.554 0.246 0.000 2.665 504 T HA -0.215 4.135 4.350 0.000 0.000 0.268 504 T C 2.063 176.790 174.700 0.045 0.000 1.035 504 T CA 1.587 63.759 62.100 0.120 0.000 1.151 504 T CB -0.833 68.034 68.868 -0.002 0.000 0.862 504 T HN 0.212 nan 8.240 nan 0.000 0.438 505 L N 1.155 122.376 121.223 -0.004 0.000 2.042 505 L HA 0.004 4.344 4.340 0.000 0.000 0.210 505 L C 2.143 179.017 176.870 0.006 0.000 1.076 505 L CA 1.535 56.345 54.840 -0.050 0.000 0.749 505 L CB -0.816 41.175 42.059 -0.112 0.000 0.893 505 L HN 0.301 nan 8.230 nan 0.000 0.432 506 I N -0.488 120.089 120.570 0.012 0.000 2.286 506 I HA -0.272 3.898 4.170 0.000 0.000 0.248 506 I C 2.532 178.601 176.117 -0.081 0.000 1.115 506 I CA 1.535 62.868 61.300 0.055 0.000 1.392 506 I CB -0.312 37.717 38.000 0.049 0.000 1.065 506 I HN 0.472 nan 8.210 nan 0.000 0.418 507 E N 1.565 121.727 120.200 -0.063 0.000 2.017 507 E HA -0.246 4.104 4.350 0.000 0.000 0.193 507 E C 2.178 178.665 176.600 -0.187 0.000 0.997 507 E CA 1.379 57.694 56.400 -0.141 0.000 0.804 507 E CB 0.086 29.875 29.700 0.149 0.000 0.757 507 E HN 0.319 nan 8.360 nan 0.000 0.448 508 K N -0.310 120.005 120.400 -0.142 0.000 2.074 508 K HA -0.159 4.161 4.320 0.000 0.000 0.209 508 K C 2.246 178.744 176.600 -0.170 0.000 1.048 508 K CA 1.914 58.089 56.287 -0.186 0.000 0.926 508 K CB -0.296 32.098 32.500 -0.176 0.000 0.713 508 K HN 0.182 nan 8.250 nan 0.000 0.444 509 T N 1.412 115.912 114.554 -0.090 0.000 2.788 509 T HA -0.100 4.250 4.350 0.000 0.000 0.268 509 T C 1.783 176.379 174.700 -0.173 0.000 1.044 509 T CA 1.237 63.296 62.100 -0.069 0.000 1.139 509 T CB -0.067 68.847 68.868 0.076 0.000 0.867 509 T HN 0.206 nan 8.240 nan 0.000 0.454 510 M N 0.743 120.226 119.600 -0.194 0.000 2.394 510 M HA -0.016 4.464 4.480 0.000 0.000 0.264 510 M C 2.273 178.446 176.300 -0.211 0.000 1.073 510 M CA 1.187 56.353 55.300 -0.223 0.000 1.111 510 M CB -0.307 32.174 32.600 -0.198 0.000 1.401 510 M HN 0.288 nan 8.290 nan 0.000 0.448 511 Q N 0.292 119.907 119.800 -0.308 0.000 2.311 511 Q HA -0.105 4.235 4.340 0.000 0.000 0.203 511 Q C 1.114 176.575 176.000 -0.897 0.000 0.954 511 Q CA 1.259 56.769 55.803 -0.488 0.000 0.885 511 Q CB -0.153 28.285 28.738 -0.500 0.000 0.963 511 Q HN 0.665 nan 8.270 nan 0.000 0.471 512 N N -1.565 116.785 118.700 -0.583 0.000 2.171 512 N HA 0.077 4.817 4.740 0.000 0.000 0.212 512 N C -0.615 174.742 175.510 -0.255 0.000 1.184 512 N CA -0.094 52.635 53.050 -0.535 0.000 0.888 512 N CB 0.839 39.212 38.487 -0.190 0.000 1.038 512 N HN -0.188 nan 8.380 nan 0.000 0.517 513 V N 1.068 120.862 119.914 -0.201 0.000 2.483 513 V HA 0.375 4.495 4.120 0.000 0.000 0.295 513 V C -0.182 175.951 176.094 0.064 0.000 1.035 513 V CA -0.870 61.382 62.300 -0.079 0.000 0.896 513 V CB 1.738 33.451 31.823 -0.183 0.000 0.986 513 V HN 0.142 nan 8.190 nan 0.000 0.447 514 K N 2.132 122.596 120.400 0.107 0.000 2.182 514 K HA 0.398 4.718 4.320 0.000 0.000 0.262 514 K C -0.329 176.318 176.600 0.077 0.000 0.957 514 K CA -0.791 55.590 56.287 0.157 0.000 0.842 514 K CB 1.673 34.251 32.500 0.128 0.000 1.099 514 K HN 0.841 nan 8.250 nan 0.000 0.438 515 H N 4.640 123.713 119.070 0.005 0.000 3.070 515 H HA -0.024 4.532 4.556 0.000 0.000 0.313 515 H C -1.245 174.021 175.328 -0.104 0.000 0.997 515 H CA -1.052 54.987 56.048 -0.015 0.000 1.438 515 H CB 0.942 30.728 29.762 0.040 0.000 1.455 515 H HN 0.364 nan 8.280 nan 0.000 0.575 516 P HA -0.182 nan 4.420 nan 0.000 0.222 516 P C 0.646 177.992 177.300 0.076 0.000 1.142 516 P CA 1.001 64.059 63.100 -0.069 0.000 0.788 516 P CB 0.472 31.979 31.700 -0.323 0.000 0.767 517 V N -1.081 119.014 119.914 0.302 0.000 3.029 517 V HA -0.016 4.104 4.120 0.000 0.000 0.230 517 V C 2.413 178.426 176.094 -0.135 0.000 1.254 517 V CA 1.425 63.752 62.300 0.045 0.000 1.276 517 V CB -1.101 30.757 31.823 0.058 0.000 1.080 517 V HN -0.012 nan 8.190 nan 0.000 0.495 518 T N 0.420 114.704 114.554 -0.450 0.000 2.929 518 T HA 0.012 4.362 4.350 0.000 0.000 0.271 518 T C 1.679 176.276 174.700 -0.171 0.000 1.085 518 T CA 1.558 63.428 62.100 -0.385 0.000 1.125 518 T CB -0.395 68.129 68.868 -0.574 0.000 0.874 518 T HN 0.846 nan 8.240 nan 0.000 0.494 519 G N 0.703 109.452 108.800 -0.084 0.000 2.302 519 G HA2 -0.283 3.677 3.960 0.000 0.000 0.263 519 G HA3 -0.283 3.677 3.960 0.000 0.000 0.263 519 G C 0.309 175.154 174.900 -0.091 0.000 0.995 519 G CA 0.345 45.406 45.100 -0.066 0.000 0.622 519 G HN 0.463 nan 8.290 nan 0.000 0.538 520 Q N -0.355 119.393 119.800 -0.087 0.000 2.396 520 Q HA 0.525 4.865 4.340 0.000 0.000 0.221 520 Q C 0.654 176.676 176.000 0.036 0.000 1.025 520 Q CA -0.370 55.368 55.803 -0.108 0.000 0.946 520 Q CB 0.314 29.013 28.738 -0.065 0.000 1.224 520 Q HN 0.402 nan 8.270 nan 0.000 0.539 521 F N 0.648 120.612 119.950 0.023 0.000 2.459 521 F HA -0.031 4.496 4.527 0.000 0.000 0.346 521 F C 1.874 177.689 175.800 0.025 0.000 1.128 521 F CA -0.601 57.411 58.000 0.020 0.000 1.268 521 F CB 0.572 39.595 39.000 0.039 0.000 1.161 521 F HN 0.379 nan 8.300 nan 0.000 0.583 522 L N 1.968 123.295 121.223 0.174 0.000 2.083 522 L HA -0.221 4.119 4.340 0.000 0.000 0.209 522 L C 0.706 177.613 176.870 0.061 0.000 1.083 522 L CA 0.860 55.708 54.840 0.014 0.000 0.752 522 L CB -0.348 41.532 42.059 -0.299 0.000 0.899 522 L HN 0.523 nan 8.230 nan 0.000 0.433 523 Y N 1.114 121.377 120.300 -0.062 0.000 2.730 523 Y HA -0.083 4.467 4.550 0.000 0.000 0.357 523 Y C 1.125 177.047 175.900 0.036 0.000 1.167 523 Y CA 0.291 58.347 58.100 -0.074 0.000 1.579 523 Y CB 0.219 38.617 38.460 -0.104 0.000 1.262 523 Y HN 0.093 nan 8.280 nan 0.000 0.510 524 Q N 2.266 121.945 119.800 -0.201 0.000 2.288 524 Q HA 0.115 4.455 4.340 0.000 0.000 0.256 524 Q C -1.013 174.855 176.000 -0.220 0.000 0.835 524 Q CA 0.294 56.022 55.803 -0.124 0.000 0.958 524 Q CB 0.682 29.414 28.738 -0.010 0.000 1.125 524 Q HN 0.695 nan 8.270 nan 0.000 0.513 525 D N -0.932 119.275 120.400 -0.322 0.000 2.492 525 D HA 0.157 4.797 4.640 0.000 0.000 0.248 525 D C 0.230 176.361 176.300 -0.281 0.000 1.101 525 D CA -0.155 53.727 54.000 -0.196 0.000 0.840 525 D CB 1.522 42.300 40.800 -0.036 0.000 1.209 525 D HN 0.009 nan 8.370 nan 0.000 0.524 526 S N 2.897 118.486 115.700 -0.185 0.000 2.603 526 S HA 0.032 4.502 4.470 0.000 0.000 0.220 526 S C 0.619 175.282 174.600 0.104 0.000 0.967 526 S CA -0.036 58.169 58.200 0.009 0.000 0.920 526 S CB -0.123 63.150 63.200 0.122 0.000 0.773 526 S HN 0.448 nan 8.310 nan 0.000 0.529 527 N N 1.026 119.745 118.700 0.032 0.000 2.200 527 N HA 0.141 4.881 4.740 0.000 0.000 0.224 527 N C 1.245 176.664 175.510 -0.150 0.000 1.179 527 N CA 0.232 53.243 53.050 -0.065 0.000 0.877 527 N CB 0.006 38.467 38.487 -0.043 0.000 1.072 527 N HN 0.711 nan 8.380 nan 0.000 0.519 528 W N 1.626 122.857 121.300 -0.114 0.000 2.305 528 W HA -0.196 4.464 4.660 0.000 0.000 0.308 528 W C 1.385 177.802 176.519 -0.171 0.000 1.226 528 W CA 1.242 58.511 57.345 -0.127 0.000 1.253 528 W CB -1.274 28.114 29.460 -0.121 0.000 1.146 528 W HN -0.017 nan 8.180 nan 0.000 0.507 529 A N 1.659 123.363 122.820 -1.860 0.000 1.978 529 A HA -0.236 4.084 4.320 0.000 0.000 0.220 529 A C 2.201 179.296 177.584 -0.815 0.000 1.170 529 A CA 3.043 53.982 52.037 -1.829 0.000 0.636 529 A CB -1.268 16.744 19.000 -1.648 0.000 0.810 529 A HN 0.494 nan 8.150 nan 0.000 0.448 530 S N -1.378 114.034 115.700 -0.481 0.000 2.650 530 S HA 0.081 4.551 4.470 0.000 0.000 0.219 530 S C 1.310 175.818 174.600 -0.155 0.000 0.960 530 S CA 0.828 58.890 58.200 -0.231 0.000 0.925 530 S CB 0.156 63.269 63.200 -0.145 0.000 0.775 530 S HN 0.525 nan 8.310 nan 0.000 0.525 531 K N 1.559 121.847 120.400 -0.186 0.000 2.447 531 K HA 0.235 4.555 4.320 0.000 0.000 0.205 531 K C -0.442 176.107 176.600 -0.086 0.000 1.059 531 K CA -0.144 56.087 56.287 -0.093 0.000 1.065 531 K CB 0.455 32.923 32.500 -0.053 0.000 0.885 531 K HN 0.286 nan 8.250 nan 0.000 0.545 532 V N 2.672 122.491 119.914 -0.159 0.000 2.529 532 V HA 0.062 4.182 4.120 0.000 0.000 0.292 532 V C 0.232 176.301 176.094 -0.043 0.000 1.028 532 V CA 0.072 62.300 62.300 -0.121 0.000 1.074 532 V CB 0.616 32.291 31.823 -0.247 0.000 0.958 532 V HN 0.250 nan 8.190 nan 0.000 0.481 533 E N 4.257 124.438 120.200 -0.031 0.000 2.227 533 E HA 0.322 4.672 4.350 0.000 0.000 0.282 533 E C 0.185 176.775 176.600 -0.017 0.000 1.015 533 E CA -0.663 55.733 56.400 -0.007 0.000 0.823 533 E CB 0.804 30.491 29.700 -0.022 0.000 1.081 533 E HN 0.728 nan 8.360 nan 0.000 0.396 534 K N 2.780 123.198 120.400 0.030 0.000 2.276 534 K HA 0.110 4.430 4.320 0.000 0.000 0.259 534 K C -0.383 176.219 176.600 0.004 0.000 1.001 534 K CA -0.758 55.525 56.287 -0.008 0.000 0.927 534 K CB 0.403 33.035 32.500 0.220 0.000 0.969 534 K HN 0.206 nan 8.250 nan 0.000 0.490 535 L N 2.317 123.536 121.223 -0.007 0.000 2.490 535 L HA 0.053 4.393 4.340 0.000 0.000 0.274 535 L C 0.524 177.452 176.870 0.097 0.000 1.201 535 L CA 0.879 55.764 54.840 0.076 0.000 0.869 535 L CB 0.492 42.634 42.059 0.139 0.000 1.123 535 L HN 1.029 nan 8.230 nan 0.000 0.484 536 T N 0.157 114.683 114.554 -0.047 0.000 2.940 536 T HA 0.453 4.803 4.350 0.000 0.000 0.288 536 T C 1.452 175.858 174.700 -0.489 0.000 1.033 536 T CA -0.909 61.020 62.100 -0.285 0.000 1.033 536 T CB 0.816 69.571 68.868 -0.189 0.000 1.079 536 T HN 0.415 nan 8.240 nan 0.000 0.496 537 L N 0.884 121.643 121.223 -0.773 0.000 2.151 537 L HA -0.159 4.181 4.340 0.000 0.000 0.215 537 L C 2.333 179.069 176.870 -0.223 0.000 1.084 537 L CA 2.023 56.471 54.840 -0.653 0.000 0.764 537 L CB -0.539 41.242 42.059 -0.464 0.000 0.891 537 L HN 0.846 nan 8.230 nan 0.000 0.435 538 D N -1.632 118.671 120.400 -0.162 0.000 2.349 538 D HA -0.111 4.529 4.640 0.000 0.000 0.224 538 D C 0.630 176.930 176.300 -0.000 0.000 1.029 538 D CA 0.049 54.014 54.000 -0.058 0.000 0.879 538 D CB -0.483 40.257 40.800 -0.100 0.000 0.906 538 D HN 0.302 nan 8.370 nan 0.000 0.528 539 N N -0.121 118.585 118.700 0.010 0.000 2.426 539 N HA 0.370 5.110 4.740 0.000 0.000 0.275 539 N C 0.982 176.581 175.510 0.149 0.000 1.019 539 N CA -0.198 52.897 53.050 0.075 0.000 0.941 539 N CB 1.475 40.005 38.487 0.071 0.000 1.123 539 N HN -0.032 nan 8.380 nan 0.000 0.486 540 A N 3.195 126.110 122.820 0.159 0.000 2.076 540 A HA -0.142 4.178 4.320 0.000 0.000 0.220 540 A C 1.963 179.710 177.584 0.271 0.000 1.160 540 A CA 1.852 53.996 52.037 0.179 0.000 0.653 540 A CB -0.755 18.375 19.000 0.217 0.000 0.801 540 A HN 0.759 nan 8.150 nan 0.000 0.455 541 A N -1.511 121.498 122.820 0.315 0.000 2.067 541 A HA 0.119 4.439 4.320 0.000 0.000 0.217 541 A C 1.832 179.557 177.584 0.236 0.000 1.156 541 A CA 1.093 53.340 52.037 0.350 0.000 0.683 541 A CB -0.602 18.567 19.000 0.281 0.000 0.808 541 A HN 0.615 nan 8.150 nan 0.000 0.455 542 F N 1.771 121.753 119.950 0.052 0.000 2.069 542 F HA -0.101 4.426 4.527 0.000 0.000 0.298 542 F C -0.726 175.039 175.800 -0.058 0.000 1.113 542 F CA 2.124 60.090 58.000 -0.056 0.000 1.214 542 F CB -1.126 37.775 39.000 -0.165 0.000 0.978 542 F HN 0.173 nan 8.300 nan 0.000 0.474 543 P HA -0.179 nan 4.420 nan 0.000 0.215 543 P C 1.734 178.975 177.300 -0.099 0.000 1.153 543 P CA 1.777 64.802 63.100 -0.125 0.000 0.853 543 P CB -0.315 31.342 31.700 -0.072 0.000 0.788 544 F N -1.047 118.835 119.950 -0.114 0.000 2.091 544 F HA -0.191 4.336 4.527 0.000 0.000 0.299 544 F C 2.227 178.001 175.800 -0.043 0.000 1.103 544 F CA 1.288 59.243 58.000 -0.075 0.000 1.228 544 F CB -1.185 37.723 39.000 -0.153 0.000 0.984 544 F HN -0.121 nan 8.300 nan 0.000 0.477 545 L N -0.157 121.109 121.223 0.071 0.000 2.102 545 L HA 0.129 4.469 4.340 0.000 0.000 0.202 545 L C 2.287 179.123 176.870 -0.057 0.000 1.076 545 L CA 1.891 56.720 54.840 -0.017 0.000 0.761 545 L CB -1.216 40.771 42.059 -0.119 0.000 0.921 545 L HN 0.002 nan 8.230 nan 0.000 0.444 546 A N -1.800 120.870 122.820 -0.251 0.000 1.968 546 A HA -0.183 4.137 4.320 0.000 0.000 0.217 546 A C 2.130 179.841 177.584 0.211 0.000 1.169 546 A CA 1.718 53.676 52.037 -0.132 0.000 0.638 546 A CB -0.768 17.734 19.000 -0.831 0.000 0.812 546 A HN 0.647 nan 8.150 nan 0.000 0.446 547 Y N -0.234 120.108 120.300 0.071 0.000 2.382 547 Y HA 0.127 4.677 4.550 0.000 0.000 0.292 547 Y C 2.478 178.409 175.900 0.053 0.000 1.151 547 Y CA 1.318 59.489 58.100 0.118 0.000 1.198 547 Y CB -0.198 38.334 38.460 0.120 0.000 1.195 547 Y HN 0.189 nan 8.280 nan 0.000 0.530 548 S N -0.299 115.268 115.700 -0.222 0.000 2.436 548 S HA 0.130 4.600 4.470 0.000 0.000 0.228 548 S C 1.493 176.072 174.600 -0.035 0.000 1.014 548 S CA 1.064 59.098 58.200 -0.276 0.000 0.950 548 S CB -0.618 62.506 63.200 -0.127 0.000 0.784 548 S HN 0.908 nan 8.310 nan 0.000 0.504 549 G N 1.241 110.095 108.800 0.089 0.000 2.137 549 G HA2 -0.227 3.733 3.960 0.000 0.000 0.237 549 G HA3 -0.227 3.733 3.960 0.000 0.000 0.237 549 G C -0.017 174.992 174.900 0.183 0.000 1.002 549 G CA -0.135 45.086 45.100 0.202 0.000 0.702 549 G HN 0.496 nan 8.290 nan 0.000 0.515 550 I N 2.345 123.016 120.570 0.168 0.000 2.312 550 I HA 0.259 4.429 4.170 0.000 0.000 0.290 550 I C -1.802 174.411 176.117 0.159 0.000 1.008 550 I CA -2.424 58.981 61.300 0.176 0.000 1.226 550 I CB 1.433 39.596 38.000 0.272 0.000 1.371 550 I HN -0.128 nan 8.210 nan 0.000 0.468 551 P HA 0.039 nan 4.420 nan 0.000 0.261 551 P C -0.637 176.692 177.300 0.048 0.000 1.183 551 P CA 0.206 63.350 63.100 0.075 0.000 0.761 551 P CB 0.816 32.562 31.700 0.077 0.000 0.785 552 A N 3.331 126.164 122.820 0.023 0.000 2.435 552 A HA 0.815 5.135 4.320 0.000 0.000 0.296 552 A C -1.041 176.533 177.584 -0.017 0.000 1.147 552 A CA -0.784 51.287 52.037 0.057 0.000 0.775 552 A CB 2.116 21.232 19.000 0.194 0.000 1.340 552 A HN 0.428 nan 8.150 nan 0.000 0.427 553 V N -0.241 119.673 119.914 -0.000 0.000 3.048 553 V HA 0.799 4.919 4.120 0.000 0.000 0.303 553 V C -0.871 175.256 176.094 0.056 0.000 1.214 553 V CA 0.282 62.587 62.300 0.007 0.000 0.984 553 V CB 2.253 34.047 31.823 -0.047 0.000 1.054 553 V HN 1.619 nan 8.190 nan 0.000 0.430 554 S N 5.027 120.765 115.700 0.063 0.000 2.540 554 S HA 0.955 5.425 4.470 0.000 0.000 0.275 554 S C -1.339 173.255 174.600 -0.010 0.000 1.123 554 S CA -0.365 57.814 58.200 -0.035 0.000 0.907 554 S CB 1.576 64.745 63.200 -0.051 0.000 1.081 554 S HN 1.617 nan 8.310 nan 0.000 0.476 555 F N 1.091 120.992 119.950 -0.081 0.000 2.686 555 F HA 0.872 5.399 4.527 0.000 0.000 0.311 555 F C -0.754 174.900 175.800 -0.243 0.000 1.128 555 F CA -1.095 56.753 58.000 -0.253 0.000 0.946 555 F CB 0.509 39.360 39.000 -0.248 0.000 1.336 555 F HN 0.879 nan 8.300 nan 0.000 0.457 556 C N -0.409 118.764 119.300 -0.211 0.000 3.311 556 C HA 0.768 5.228 4.460 0.000 0.000 0.325 556 C C -1.667 173.195 174.990 -0.213 0.000 1.352 556 C CA -1.257 57.687 59.018 -0.123 0.000 1.308 556 C CB 1.213 28.876 27.740 -0.128 0.000 1.619 556 C HN 0.883 nan 8.230 nan 0.000 0.469 557 F N 2.228 122.255 119.950 0.129 0.000 2.308 557 F HA 0.594 5.121 4.527 0.000 0.000 0.370 557 F C 0.963 176.778 175.800 0.025 0.000 1.100 557 F CA -0.134 57.930 58.000 0.107 0.000 1.108 557 F CB 0.929 39.959 39.000 0.050 0.000 1.293 557 F HN 1.017 nan 8.300 nan 0.000 0.478 558 C N 0.503 119.860 119.300 0.095 0.000 3.119 558 C HA 0.842 5.302 4.460 0.000 0.000 0.359 558 C C -0.151 174.877 174.990 0.063 0.000 1.486 558 C CA -0.933 58.116 59.018 0.052 0.000 1.556 558 C CB 1.429 29.160 27.740 -0.015 0.000 2.063 558 C HN 0.604 nan 8.230 nan 0.000 0.454 559 E N -0.478 119.746 120.200 0.040 0.000 2.359 559 E HA 0.392 4.742 4.350 0.000 0.000 0.254 559 E C -0.339 176.259 176.600 -0.003 0.000 0.957 559 E CA -0.352 56.067 56.400 0.032 0.000 0.825 559 E CB 0.956 30.674 29.700 0.030 0.000 1.283 559 E HN 0.650 nan 8.360 nan 0.000 0.409 560 D N -0.906 119.487 120.400 -0.012 0.000 2.355 560 D HA 0.068 4.708 4.640 0.000 0.000 0.218 560 D C -0.441 175.819 176.300 -0.066 0.000 1.004 560 D CA 0.657 54.637 54.000 -0.033 0.000 0.880 560 D CB 0.318 41.105 40.800 -0.022 0.000 0.911 560 D HN 0.106 nan 8.370 nan 0.000 0.528 561 T N 0.779 115.288 114.554 -0.074 0.000 2.902 561 T HA 0.227 4.577 4.350 0.000 0.000 0.283 561 T C -0.310 174.305 174.700 -0.142 0.000 1.009 561 T CA -0.858 61.161 62.100 -0.136 0.000 1.051 561 T CB 1.536 70.319 68.868 -0.141 0.000 0.999 561 T HN -0.133 nan 8.240 nan 0.000 0.474 562 D N 1.195 121.453 120.400 -0.237 0.000 2.382 562 D HA 0.053 4.693 4.640 0.000 0.000 0.245 562 D C -0.290 175.935 176.300 -0.126 0.000 1.120 562 D CA -0.102 53.796 54.000 -0.170 0.000 0.890 562 D CB 0.401 41.060 40.800 -0.235 0.000 1.201 562 D HN 0.456 nan 8.370 nan 0.000 0.433 563 Y N 4.388 124.616 120.300 -0.120 0.000 2.730 563 Y HA 0.041 4.591 4.550 0.000 0.000 0.354 563 Y C -1.126 174.707 175.900 -0.111 0.000 1.139 563 Y CA -1.772 56.258 58.100 -0.117 0.000 1.516 563 Y CB 0.499 38.935 38.460 -0.040 0.000 1.204 563 Y HN 0.291 nan 8.280 nan 0.000 0.520 564 P HA -0.315 nan 4.420 nan 0.000 0.218 564 P C 0.800 177.995 177.300 -0.174 0.000 1.154 564 P CA 2.055 64.941 63.100 -0.357 0.000 0.872 564 P CB -0.171 31.140 31.700 -0.649 0.000 0.790 565 Y N -0.799 119.364 120.300 -0.229 0.000 2.583 565 Y HA 0.091 4.641 4.550 0.000 0.000 0.293 565 Y C 1.664 177.677 175.900 0.188 0.000 1.157 565 Y CA -0.965 57.124 58.100 -0.018 0.000 1.315 565 Y CB -0.548 37.871 38.460 -0.068 0.000 1.021 565 Y HN -0.140 nan 8.280 nan 0.000 0.536 566 L N 0.811 122.258 121.223 0.374 0.000 2.578 566 L HA -0.042 4.298 4.340 0.000 0.000 0.279 566 L C 1.383 178.453 176.870 0.333 0.000 1.227 566 L CA 1.070 56.129 54.840 0.365 0.000 0.900 566 L CB 0.094 42.334 42.059 0.303 0.000 1.144 566 L HN 0.570 nan 8.230 nan 0.000 0.496 567 G N 1.535 110.544 108.800 0.349 0.000 2.148 567 G HA2 -0.283 3.677 3.960 0.000 0.000 0.254 567 G HA3 -0.283 3.677 3.960 0.000 0.000 0.254 567 G C 0.252 175.468 174.900 0.527 0.000 0.981 567 G CA 0.451 45.788 45.100 0.395 0.000 0.670 567 G HN 0.834 nan 8.290 nan 0.000 0.528 568 T N -4.819 110.036 114.554 0.501 0.000 2.841 568 T HA 0.674 5.024 4.350 0.000 0.000 0.276 568 T C 1.119 176.059 174.700 0.399 0.000 1.003 568 T CA 0.751 63.160 62.100 0.515 0.000 0.995 568 T CB 1.721 70.806 68.868 0.361 0.000 1.260 568 T HN 0.125 nan 8.240 nan 0.000 0.581 569 T N 0.793 115.507 114.554 0.268 0.000 3.088 569 T HA 0.181 4.531 4.350 0.000 0.000 0.259 569 T C 1.530 176.245 174.700 0.024 0.000 1.122 569 T CA 0.567 62.713 62.100 0.078 0.000 1.095 569 T CB -0.322 68.560 68.868 0.023 0.000 0.930 569 T HN 0.484 nan 8.240 nan 0.000 0.508 570 M N 1.004 120.600 119.600 -0.007 0.000 2.561 570 M HA 0.126 4.606 4.480 0.000 0.000 0.238 570 M C 0.412 176.647 176.300 -0.108 0.000 1.131 570 M CA 0.346 55.516 55.300 -0.216 0.000 1.046 570 M CB -0.039 32.167 32.600 -0.657 0.000 1.532 570 M HN -0.039 nan 8.290 nan 0.000 0.497 571 D N 2.792 123.278 120.400 0.143 0.000 2.551 571 D HA 0.060 4.700 4.640 0.000 0.000 0.223 571 D C 0.028 176.450 176.300 0.204 0.000 1.144 571 D CA 0.187 54.366 54.000 0.298 0.000 1.025 571 D CB 0.271 41.286 40.800 0.360 0.000 1.085 571 D HN 0.218 nan 8.370 nan 0.000 0.506 572 T N -1.250 113.398 114.554 0.157 0.000 2.910 572 T HA 0.187 4.537 4.350 0.000 0.000 0.287 572 T C 0.992 175.796 174.700 0.174 0.000 1.050 572 T CA -0.810 61.376 62.100 0.143 0.000 1.011 572 T CB 0.793 69.712 68.868 0.086 0.000 1.195 572 T HN 0.146 nan 8.240 nan 0.000 0.540 573 Y N 1.553 121.902 120.300 0.082 0.000 2.114 573 Y HA -0.061 4.489 4.550 0.000 0.000 0.284 573 Y C 2.379 178.331 175.900 0.086 0.000 1.143 573 Y CA 1.826 59.975 58.100 0.082 0.000 1.135 573 Y CB -0.302 38.194 38.460 0.060 0.000 0.980 573 Y HN 0.521 nan 8.280 nan 0.000 0.499 574 K N 0.288 120.763 120.400 0.125 0.000 2.052 574 K HA -0.246 4.074 4.320 0.000 0.000 0.215 574 K C 1.875 178.463 176.600 -0.021 0.000 1.053 574 K CA 1.977 58.292 56.287 0.046 0.000 0.934 574 K CB -0.596 31.945 32.500 0.068 0.000 0.717 574 K HN 0.427 nan 8.250 nan 0.000 0.450 575 E N 0.725 120.940 120.200 0.025 0.000 2.072 575 E HA -0.125 4.225 4.350 0.000 0.000 0.191 575 E C 2.106 178.796 176.600 0.150 0.000 0.985 575 E CA 0.458 56.916 56.400 0.097 0.000 0.801 575 E CB -0.395 29.370 29.700 0.108 0.000 0.750 575 E HN 0.133 nan 8.360 nan 0.000 0.452 576 L N 1.151 122.441 121.223 0.111 0.000 1.989 576 L HA -0.133 4.207 4.340 0.000 0.000 0.211 576 L C 2.339 179.164 176.870 -0.074 0.000 1.071 576 L CA 1.573 56.458 54.840 0.075 0.000 0.749 576 L CB -0.603 41.439 42.059 -0.028 0.000 0.890 576 L HN 0.119 nan 8.230 nan 0.000 0.431 577 I N -1.099 119.286 120.570 -0.308 0.000 2.439 577 I HA -0.239 3.931 4.170 0.000 0.000 0.251 577 I C 2.412 178.471 176.117 -0.097 0.000 1.139 577 I CA 1.183 62.326 61.300 -0.262 0.000 1.438 577 I CB -0.044 37.679 38.000 -0.462 0.000 1.085 577 I HN 0.494 nan 8.210 nan 0.000 0.427 578 E N 0.693 120.856 120.200 -0.061 0.000 2.106 578 E HA -0.233 4.117 4.350 0.000 0.000 0.192 578 E C 2.277 178.898 176.600 0.035 0.000 0.984 578 E CA 1.018 57.420 56.400 0.003 0.000 0.806 578 E CB 0.101 29.815 29.700 0.023 0.000 0.750 578 E HN 0.468 nan 8.360 nan 0.000 0.458 579 R N -0.095 120.445 120.500 0.068 0.000 2.075 579 R HA 0.138 4.478 4.340 0.000 0.000 0.226 579 R C 1.199 177.541 176.300 0.069 0.000 1.114 579 R CA 0.826 56.982 56.100 0.093 0.000 0.972 579 R CB 0.166 30.570 30.300 0.173 0.000 0.869 579 R HN 0.189 nan 8.270 nan 0.000 0.437 580 I N 2.680 123.279 120.570 0.049 0.000 2.668 580 I HA 0.211 4.381 4.170 0.000 0.000 0.276 580 I C -2.103 174.013 176.117 -0.002 0.000 1.139 580 I CA -2.741 58.575 61.300 0.027 0.000 1.133 580 I CB 1.680 39.696 38.000 0.027 0.000 1.327 580 I HN -0.096 nan 8.210 nan 0.000 0.520 581 P HA -0.162 nan 4.420 nan 0.000 0.218 581 P C 0.317 177.621 177.300 0.007 0.000 1.148 581 P CA 1.379 64.480 63.100 0.002 0.000 0.822 581 P CB 0.143 31.850 31.700 0.011 0.000 0.784 582 E N -0.316 119.886 120.200 0.003 0.000 2.296 582 E HA 0.144 4.494 4.350 0.000 0.000 0.196 582 E C 1.638 178.230 176.600 -0.014 0.000 1.143 582 E CA -0.271 56.128 56.400 -0.002 0.000 1.145 582 E CB -0.934 28.760 29.700 -0.010 0.000 1.215 582 E HN 0.184 nan 8.360 nan 0.000 0.447 583 L N 0.648 121.870 121.223 -0.002 0.000 1.963 583 L HA -0.369 3.971 4.340 0.000 0.000 0.220 583 L C 2.029 178.905 176.870 0.009 0.000 1.076 583 L CA 2.001 56.840 54.840 -0.002 0.000 0.772 583 L CB -0.213 41.859 42.059 0.021 0.000 0.892 583 L HN 0.326 nan 8.230 nan 0.000 0.435 584 N N -0.138 118.608 118.700 0.076 0.000 2.132 584 N HA -0.305 4.435 4.740 0.000 0.000 0.191 584 N C 1.811 177.364 175.510 0.072 0.000 1.015 584 N CA 2.009 55.143 53.050 0.140 0.000 0.864 584 N CB -0.104 38.480 38.487 0.162 0.000 1.006 584 N HN 0.243 nan 8.380 nan 0.000 0.430 585 K N -0.588 119.812 120.400 0.000 0.000 2.062 585 K HA -0.008 4.312 4.320 0.000 0.000 0.205 585 K C 1.677 178.166 176.600 -0.185 0.000 1.051 585 K CA 0.935 57.188 56.287 -0.057 0.000 0.941 585 K CB 0.050 32.520 32.500 -0.051 0.000 0.719 585 K HN 0.014 nan 8.250 nan 0.000 0.440 586 V N 1.175 120.954 119.914 -0.224 0.000 2.358 586 V HA -0.199 3.921 4.120 0.000 0.000 0.246 586 V C 2.339 178.199 176.094 -0.390 0.000 1.047 586 V CA 1.885 63.943 62.300 -0.403 0.000 1.035 586 V CB -0.591 31.049 31.823 -0.304 0.000 0.658 586 V HN 0.430 nan 8.190 nan 0.000 0.452 587 A N 0.369 123.008 122.820 -0.301 0.000 1.933 587 A HA -0.247 4.073 4.320 0.000 0.000 0.218 587 A C 2.432 179.525 177.584 -0.817 0.000 1.175 587 A CA 1.898 53.668 52.037 -0.445 0.000 0.628 587 A CB -0.570 18.197 19.000 -0.389 0.000 0.814 587 A HN 0.417 nan 8.150 nan 0.000 0.444 588 R N 0.160 120.242 120.500 -0.697 0.000 2.081 588 R HA -0.095 4.245 4.340 0.000 0.000 0.235 588 R C 2.211 178.335 176.300 -0.294 0.000 1.131 588 R CA 1.735 57.544 56.100 -0.486 0.000 0.960 588 R CB -0.755 29.533 30.300 -0.020 0.000 0.856 588 R HN 0.404 nan 8.270 nan 0.000 0.436 589 A N 0.918 123.552 122.820 -0.310 0.000 1.908 589 A HA -0.091 4.229 4.320 0.000 0.000 0.218 589 A C 2.437 179.982 177.584 -0.065 0.000 1.181 589 A CA 1.919 53.796 52.037 -0.266 0.000 0.627 589 A CB -0.730 17.901 19.000 -0.616 0.000 0.818 589 A HN 0.535 nan 8.150 nan 0.000 0.445 590 A N -0.109 122.729 122.820 0.030 0.000 1.858 590 A HA 0.165 4.485 4.320 0.000 0.000 0.216 590 A C 2.541 180.186 177.584 0.101 0.000 1.190 590 A CA 2.159 54.380 52.037 0.308 0.000 0.617 590 A CB -1.165 18.058 19.000 0.372 0.000 0.827 590 A HN 1.138 nan 8.150 nan 0.000 0.443 591 A N -0.344 122.439 122.820 -0.062 0.000 1.940 591 A HA -0.229 4.091 4.320 0.000 0.000 0.219 591 A C 2.015 179.609 177.584 0.016 0.000 1.176 591 A CA 2.030 54.072 52.037 0.008 0.000 0.631 591 A CB -0.556 18.420 19.000 -0.040 0.000 0.814 591 A HN 0.718 nan 8.150 nan 0.000 0.446 592 E N 0.029 120.191 120.200 -0.064 0.000 2.072 592 E HA -0.135 4.215 4.350 0.000 0.000 0.191 592 E C 1.959 178.442 176.600 -0.195 0.000 0.985 592 E CA 1.679 58.024 56.400 -0.093 0.000 0.801 592 E CB -0.220 29.417 29.700 -0.104 0.000 0.750 592 E HN 0.548 nan 8.360 nan 0.000 0.452 593 V N -1.083 118.620 119.914 -0.352 0.000 2.379 593 V HA -0.044 4.076 4.120 0.000 0.000 0.245 593 V C 2.323 177.816 176.094 -1.002 0.000 1.044 593 V CA 1.515 63.368 62.300 -0.745 0.000 1.036 593 V CB -0.875 30.355 31.823 -0.989 0.000 0.664 593 V HN 0.315 nan 8.190 nan 0.000 0.453 594 A N 1.471 123.978 122.820 -0.522 0.000 1.877 594 A HA 0.064 4.384 4.320 0.000 0.000 0.216 594 A C 2.433 180.022 177.584 0.009 0.000 1.186 594 A CA 2.016 53.954 52.037 -0.165 0.000 0.620 594 A CB -1.607 17.514 19.000 0.202 0.000 0.822 594 A HN 0.724 nan 8.150 nan 0.000 0.443 595 G N -0.885 107.986 108.800 0.119 0.000 2.476 595 G HA2 -0.290 3.670 3.960 0.000 0.000 0.218 595 G HA3 -0.290 3.670 3.960 0.000 0.000 0.218 595 G C 1.633 176.731 174.900 0.329 0.000 1.164 595 G CA 1.099 46.431 45.100 0.386 0.000 0.768 595 G HN 0.623 nan 8.290 nan 0.000 0.560 596 Q N -0.855 119.014 119.800 0.115 0.000 2.119 596 Q HA -0.056 4.284 4.340 0.000 0.000 0.201 596 Q C 2.432 178.607 176.000 0.293 0.000 0.972 596 Q CA 0.852 56.797 55.803 0.236 0.000 0.847 596 Q CB -0.204 28.637 28.738 0.171 0.000 0.903 596 Q HN 0.470 nan 8.270 nan 0.000 0.433 597 F N 0.056 120.063 119.950 0.095 0.000 2.069 597 F HA -0.220 4.307 4.527 0.000 0.000 0.298 597 F C 2.361 178.209 175.800 0.081 0.000 1.113 597 F CA 0.666 58.695 58.000 0.048 0.000 1.214 597 F CB -1.228 37.782 39.000 0.016 0.000 0.978 597 F HN -0.117 nan 8.300 nan 0.000 0.474 598 V N 0.531 120.614 119.914 0.282 0.000 2.255 598 V HA -0.314 3.806 4.120 0.000 0.000 0.247 598 V C 2.551 178.811 176.094 0.277 0.000 1.051 598 V CA 1.467 63.848 62.300 0.134 0.000 1.018 598 V CB -0.682 31.020 31.823 -0.203 0.000 0.641 598 V HN 0.162 nan 8.190 nan 0.000 0.445 599 I N -0.279 120.526 120.570 0.392 0.000 2.052 599 I HA -0.227 3.943 4.170 0.000 0.000 0.235 599 I C 2.572 178.950 176.117 0.434 0.000 1.046 599 I CA 1.746 63.316 61.300 0.450 0.000 1.308 599 I CB -1.440 36.845 38.000 0.475 0.000 1.031 599 I HN 0.303 nan 8.210 nan 0.000 0.395 600 K N 0.745 121.327 120.400 0.304 0.000 2.107 600 K HA -0.177 4.143 4.320 0.000 0.000 0.211 600 K C 2.154 178.868 176.600 0.191 0.000 1.049 600 K CA 1.450 57.817 56.287 0.134 0.000 0.927 600 K CB -0.647 31.831 32.500 -0.035 0.000 0.714 600 K HN 0.394 nan 8.250 nan 0.000 0.452 601 L N 0.296 121.669 121.223 0.250 0.000 2.313 601 L HA -0.078 4.262 4.340 0.000 0.000 0.214 601 L C 2.067 179.180 176.870 0.404 0.000 1.119 601 L CA 1.348 56.382 54.840 0.323 0.000 0.809 601 L CB -0.266 41.991 42.059 0.331 0.000 0.933 601 L HN 0.270 nan 8.230 nan 0.000 0.449 602 T N -6.630 108.163 114.554 0.399 0.000 2.959 602 T HA -0.025 4.325 4.350 0.000 0.000 0.254 602 T C 1.628 176.572 174.700 0.407 0.000 1.003 602 T CA -0.078 62.264 62.100 0.405 0.000 0.950 602 T CB -0.269 68.850 68.868 0.417 0.000 1.090 602 T HN 0.306 nan 8.240 nan 0.000 0.503 603 H N 3.045 122.334 119.070 0.365 0.000 2.257 603 H HA -0.108 4.448 4.556 0.000 0.000 0.292 603 H C 0.502 175.972 175.328 0.236 0.000 1.075 603 H CA 1.950 58.225 56.048 0.379 0.000 1.212 603 H CB 0.021 30.002 29.762 0.365 0.000 1.354 603 H HN 0.629 nan 8.280 nan 0.000 0.497 604 D N -0.882 119.386 120.400 -0.219 0.000 2.714 604 D HA 0.033 4.673 4.640 0.000 0.000 0.278 604 D C 1.681 177.908 176.300 -0.121 0.000 1.102 604 D CA 0.216 54.043 54.000 -0.287 0.000 1.108 604 D CB 1.201 41.638 40.800 -0.606 0.000 1.444 604 D HN 0.225 nan 8.370 nan 0.000 0.568 605 V N -1.818 118.040 119.914 -0.093 0.000 2.357 605 V HA -0.206 3.914 4.120 0.000 0.000 0.257 605 V C 0.712 176.796 176.094 -0.017 0.000 1.082 605 V CA 1.419 63.699 62.300 -0.034 0.000 1.078 605 V CB -1.209 30.607 31.823 -0.012 0.000 0.663 605 V HN 0.497 nan 8.190 nan 0.000 0.455 606 E N 0.453 120.620 120.200 -0.055 0.000 2.216 606 E HA 0.600 4.950 4.350 0.000 0.000 0.279 606 E C -0.789 175.757 176.600 -0.089 0.000 0.997 606 E CA -0.711 55.653 56.400 -0.059 0.000 0.817 606 E CB 1.862 31.483 29.700 -0.131 0.000 1.096 606 E HN 0.433 nan 8.360 nan 0.000 0.393 607 L N 3.104 124.271 121.223 -0.092 0.000 2.290 607 L HA 0.176 4.516 4.340 0.000 0.000 0.284 607 L C 0.758 177.580 176.870 -0.080 0.000 1.078 607 L CA -0.494 54.289 54.840 -0.096 0.000 0.815 607 L CB 0.269 42.241 42.059 -0.144 0.000 1.162 607 L HN 0.366 nan 8.230 nan 0.000 0.435 608 N N 4.868 123.542 118.700 -0.043 0.000 2.683 608 N HA 0.120 4.860 4.740 0.000 0.000 0.256 608 N C -0.531 174.942 175.510 -0.061 0.000 1.270 608 N CA 0.301 53.302 53.050 -0.082 0.000 0.954 608 N CB -0.063 38.373 38.487 -0.085 0.000 1.289 608 N HN 0.482 nan 8.380 nan 0.000 0.508 609 L N 0.698 121.900 121.223 -0.035 0.000 2.259 609 L HA 0.196 4.536 4.340 0.000 0.000 0.288 609 L C 0.368 177.212 176.870 -0.044 0.000 1.051 609 L CA -0.670 54.173 54.840 0.006 0.000 0.824 609 L CB 0.900 43.014 42.059 0.091 0.000 1.206 609 L HN -0.137 nan 8.230 nan 0.000 0.429 610 D N 2.903 123.232 120.400 -0.118 0.000 2.483 610 D HA 0.033 4.673 4.640 0.000 0.000 0.220 610 D C 0.897 177.059 176.300 -0.229 0.000 1.173 610 D CA -0.375 53.456 54.000 -0.280 0.000 0.964 610 D CB 0.496 41.162 40.800 -0.223 0.000 1.046 610 D HN 0.397 nan 8.370 nan 0.000 0.517 611 Y N 1.621 121.937 120.300 0.026 0.000 2.651 611 Y HA -0.036 4.514 4.550 0.000 0.000 0.296 611 Y C 1.758 177.740 175.900 0.137 0.000 1.150 611 Y CA 0.673 58.855 58.100 0.138 0.000 1.348 611 Y CB -0.491 38.023 38.460 0.091 0.000 0.983 611 Y HN 0.299 nan 8.280 nan 0.000 0.555 612 E N 1.498 121.512 120.200 -0.310 0.000 2.208 612 E HA -0.152 4.198 4.350 0.000 0.000 0.193 612 E C 1.796 178.360 176.600 -0.061 0.000 0.988 612 E CA 0.820 57.113 56.400 -0.180 0.000 0.828 612 E CB -0.191 29.318 29.700 -0.318 0.000 0.763 612 E HN 0.256 nan 8.360 nan 0.000 0.478 613 R N -0.337 120.115 120.500 -0.080 0.000 2.200 613 R HA -0.157 4.183 4.340 0.000 0.000 0.234 613 R C 1.491 177.718 176.300 -0.122 0.000 1.127 613 R CA 1.191 57.224 56.100 -0.111 0.000 0.989 613 R CB -0.716 29.450 30.300 -0.224 0.000 0.869 613 R HN 0.425 nan 8.270 nan 0.000 0.459 614 Y N 0.866 121.205 120.300 0.064 0.000 2.571 614 Y HA -0.038 4.512 4.550 0.000 0.000 0.294 614 Y C 1.956 177.913 175.900 0.094 0.000 1.141 614 Y CA 0.492 58.623 58.100 0.052 0.000 1.308 614 Y CB 0.014 38.598 38.460 0.207 0.000 1.002 614 Y HN 0.078 nan 8.280 nan 0.000 0.551 615 N N -0.847 118.003 118.700 0.251 0.000 2.216 615 N HA -0.130 4.610 4.740 0.000 0.000 0.183 615 N C 1.815 177.455 175.510 0.217 0.000 1.017 615 N CA 1.357 54.550 53.050 0.239 0.000 0.861 615 N CB -0.184 38.288 38.487 -0.026 0.000 0.986 615 N HN 0.194 nan 8.380 nan 0.000 0.428 616 S N 1.068 116.847 115.700 0.131 0.000 2.406 616 S HA -0.019 4.451 4.470 0.000 0.000 0.228 616 S C 1.840 176.517 174.600 0.128 0.000 1.020 616 S CA 0.711 58.983 58.200 0.119 0.000 0.965 616 S CB 0.035 63.275 63.200 0.067 0.000 0.798 616 S HN 0.324 nan 8.310 nan 0.000 0.488 617 Q N 0.486 120.343 119.800 0.095 0.000 2.083 617 Q HA 0.048 4.388 4.340 0.000 0.000 0.198 617 Q C 2.116 178.297 176.000 0.301 0.000 0.969 617 Q CA 0.801 56.688 55.803 0.140 0.000 0.838 617 Q CB -0.518 28.164 28.738 -0.093 0.000 0.900 617 Q HN 0.362 nan 8.270 nan 0.000 0.436 618 L N 0.550 121.951 121.223 0.298 0.000 2.017 618 L HA -0.161 4.179 4.340 0.000 0.000 0.208 618 L C 2.331 179.393 176.870 0.319 0.000 1.073 618 L CA 1.248 56.292 54.840 0.340 0.000 0.745 618 L CB -1.296 40.929 42.059 0.276 0.000 0.894 618 L HN 0.204 nan 8.230 nan 0.000 0.432 619 L N -1.091 120.283 121.223 0.252 0.000 2.042 619 L HA -0.218 4.122 4.340 0.000 0.000 0.210 619 L C 2.758 179.725 176.870 0.162 0.000 1.076 619 L CA 2.079 57.031 54.840 0.186 0.000 0.749 619 L CB -0.884 41.273 42.059 0.162 0.000 0.893 619 L HN 0.372 nan 8.230 nan 0.000 0.432 620 S N -1.372 114.438 115.700 0.184 0.000 2.399 620 S HA -0.250 4.220 4.470 0.000 0.000 0.231 620 S C 2.055 176.780 174.600 0.209 0.000 1.022 620 S CA 1.337 59.638 58.200 0.167 0.000 0.983 620 S CB -0.723 62.580 63.200 0.170 0.000 0.803 620 S HN 0.545 nan 8.310 nan 0.000 0.480 621 F N 2.054 122.068 119.950 0.106 0.000 2.186 621 F HA 0.061 4.588 4.527 0.000 0.000 0.299 621 F C 2.020 177.883 175.800 0.105 0.000 1.090 621 F CA 1.107 59.152 58.000 0.076 0.000 1.307 621 F CB -0.663 38.350 39.000 0.021 0.000 1.019 621 F HN 0.080 nan 8.300 nan 0.000 0.489 622 V N 0.953 120.888 119.914 0.035 0.000 2.515 622 V HA -0.247 3.873 4.120 0.000 0.000 0.250 622 V C 2.642 178.716 176.094 -0.032 0.000 1.058 622 V CA 2.114 64.402 62.300 -0.019 0.000 1.064 622 V CB -0.755 31.115 31.823 0.079 0.000 0.675 622 V HN 0.309 nan 8.190 nan 0.000 0.461 623 R N 0.170 120.669 120.500 -0.002 0.000 2.066 623 R HA -0.147 4.193 4.340 0.000 0.000 0.232 623 R C 1.948 178.238 176.300 -0.017 0.000 1.131 623 R CA 1.725 57.821 56.100 -0.007 0.000 0.955 623 R CB -0.294 30.016 30.300 0.016 0.000 0.851 623 R HN 0.468 nan 8.270 nan 0.000 0.432 624 D N 0.496 120.894 120.400 -0.004 0.000 2.354 624 D HA -0.147 4.493 4.640 0.000 0.000 0.216 624 D C 1.348 177.656 176.300 0.014 0.000 0.970 624 D CA 0.724 54.737 54.000 0.021 0.000 0.905 624 D CB 0.152 41.006 40.800 0.089 0.000 0.903 624 D HN 0.192 nan 8.370 nan 0.000 0.508 625 L N 0.910 122.090 121.223 -0.070 0.000 2.590 625 L HA 0.046 4.386 4.340 0.000 0.000 0.227 625 L C 1.166 178.063 176.870 0.045 0.000 1.099 625 L CA 0.470 55.304 54.840 -0.010 0.000 0.872 625 L CB -0.165 41.754 42.059 -0.234 0.000 1.088 625 L HN -0.048 nan 8.230 nan 0.000 0.479 626 N N -0.599 118.101 118.700 -0.000 0.000 2.396 626 N HA -0.241 4.499 4.740 0.000 0.000 0.180 626 N C 1.533 176.994 175.510 -0.082 0.000 1.028 626 N CA 1.046 54.097 53.050 0.003 0.000 0.893 626 N CB -0.695 37.794 38.487 0.002 0.000 0.967 626 N HN 0.617 nan 8.380 nan 0.000 0.440 627 Q N -0.377 119.295 119.800 -0.212 0.000 2.437 627 Q HA -0.127 4.213 4.340 0.000 0.000 0.210 627 Q C 0.271 175.978 176.000 -0.488 0.000 0.972 627 Q CA 0.948 56.518 55.803 -0.390 0.000 0.903 627 Q CB -0.322 28.076 28.738 -0.567 0.000 0.967 627 Q HN 0.608 nan 8.270 nan 0.000 0.486 628 Y N -0.477 119.785 120.300 -0.063 0.000 2.636 628 Y HA 0.375 4.925 4.550 0.000 0.000 0.260 628 Y C 1.541 177.395 175.900 -0.078 0.000 1.177 628 Y CA -0.739 57.305 58.100 -0.094 0.000 1.209 628 Y CB 0.553 38.945 38.460 -0.115 0.000 1.166 628 Y HN 0.003 nan 8.280 nan 0.000 0.531 629 R N 0.420 120.949 120.500 0.048 0.000 2.120 629 R HA -0.145 4.195 4.340 0.000 0.000 0.234 629 R C 2.368 178.677 176.300 0.015 0.000 1.123 629 R CA 1.183 57.306 56.100 0.039 0.000 0.975 629 R CB -0.194 30.130 30.300 0.039 0.000 0.866 629 R HN 0.392 nan 8.270 nan 0.000 0.446 630 A N 1.539 124.355 122.820 -0.007 0.000 1.858 630 A HA -0.203 4.117 4.320 0.000 0.000 0.216 630 A C 1.675 179.240 177.584 -0.033 0.000 1.190 630 A CA 1.703 53.727 52.037 -0.022 0.000 0.617 630 A CB -0.443 18.535 19.000 -0.038 0.000 0.827 630 A HN 0.228 nan 8.150 nan 0.000 0.443 631 D N 0.077 120.448 120.400 -0.048 0.000 2.104 631 D HA -0.153 4.487 4.640 0.000 0.000 0.194 631 D C 1.969 178.214 176.300 -0.091 0.000 0.994 631 D CA 1.469 55.399 54.000 -0.117 0.000 0.830 631 D CB -0.277 40.402 40.800 -0.201 0.000 0.959 631 D HN 0.317 nan 8.370 nan 0.000 0.452 632 I N 1.388 121.934 120.570 -0.040 0.000 2.194 632 I HA -0.232 3.938 4.170 0.000 0.000 0.246 632 I C 2.413 178.554 176.117 0.041 0.000 1.093 632 I CA 1.115 62.435 61.300 0.034 0.000 1.355 632 I CB -0.911 37.136 38.000 0.078 0.000 1.046 632 I HN -0.048 nan 8.210 nan 0.000 0.413 633 K N 1.296 121.708 120.400 0.020 0.000 2.057 633 K HA -0.170 4.150 4.320 0.000 0.000 0.207 633 K C 1.967 178.577 176.600 0.016 0.000 1.049 633 K CA 1.366 57.665 56.287 0.021 0.000 0.931 633 K CB -0.220 32.286 32.500 0.010 0.000 0.714 633 K HN 0.418 nan 8.250 nan 0.000 0.440 634 E N -0.200 119.998 120.200 -0.004 0.000 2.085 634 E HA -0.148 4.202 4.350 0.000 0.000 0.194 634 E C 1.734 178.343 176.600 0.013 0.000 0.994 634 E CA 1.294 57.690 56.400 -0.007 0.000 0.801 634 E CB -0.123 29.555 29.700 -0.036 0.000 0.743 634 E HN 0.286 nan 8.360 nan 0.000 0.453 635 M N -0.370 119.247 119.600 0.027 0.000 2.682 635 M HA 0.083 4.563 4.480 0.000 0.000 0.235 635 M C 0.987 177.333 176.300 0.077 0.000 1.114 635 M CA 0.588 55.929 55.300 0.069 0.000 1.053 635 M CB 0.421 33.094 32.600 0.122 0.000 1.599 635 M HN 0.219 nan 8.290 nan 0.000 0.520 636 G N 1.293 110.128 108.800 0.059 0.000 2.179 636 G HA2 -0.250 3.710 3.960 0.000 0.000 0.257 636 G HA3 -0.250 3.710 3.960 0.000 0.000 0.257 636 G C -0.092 174.856 174.900 0.079 0.000 1.010 636 G CA 0.037 45.172 45.100 0.059 0.000 0.736 636 G HN 0.443 nan 8.290 nan 0.000 0.513 637 L N -0.345 120.937 121.223 0.098 0.000 2.332 637 L HA 0.814 5.154 4.340 0.000 0.000 0.269 637 L C 0.676 177.611 176.870 0.110 0.000 1.016 637 L CA -0.671 54.242 54.840 0.123 0.000 0.809 637 L CB 1.992 44.154 42.059 0.172 0.000 1.280 637 L HN 0.203 nan 8.230 nan 0.000 0.447 638 S N -0.059 115.724 115.700 0.138 0.000 2.607 638 S HA 0.520 4.990 4.470 0.000 0.000 0.303 638 S C -0.106 174.508 174.600 0.023 0.000 1.086 638 S CA -0.468 57.781 58.200 0.081 0.000 0.995 638 S CB 1.503 64.769 63.200 0.109 0.000 1.084 638 S HN 0.453 nan 8.310 nan 0.000 0.507 639 L N 3.003 124.113 121.223 -0.189 0.000 2.693 639 L HA 0.455 4.795 4.340 0.000 0.000 0.235 639 L C 1.877 178.292 176.870 -0.758 0.000 1.127 639 L CA 0.534 55.087 54.840 -0.478 0.000 0.914 639 L CB -0.196 41.426 42.059 -0.727 0.000 1.193 639 L HN 0.644 nan 8.230 nan 0.000 0.502 640 Q N -1.081 118.460 119.800 -0.433 0.000 2.124 640 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 640 Q C 1.727 177.576 176.000 -0.251 0.000 0.977 640 Q CA 2.046 57.643 55.803 -0.345 0.000 0.850 640 Q CB -0.226 28.260 28.738 -0.420 0.000 0.901 640 Q HN 0.538 nan 8.270 nan 0.000 0.429 641 W N -0.596 120.687 121.300 -0.028 0.000 2.418 641 W HA -0.025 4.635 4.660 0.000 0.000 0.292 641 W C 1.812 178.369 176.519 0.063 0.000 1.213 641 W CA 0.302 57.672 57.345 0.043 0.000 1.283 641 W CB -0.665 28.827 29.460 0.054 0.000 1.119 641 W HN 0.180 nan 8.180 nan 0.000 0.542 642 L N -0.649 120.703 121.223 0.216 0.000 2.093 642 L HA -0.149 4.191 4.340 0.000 0.000 0.208 642 L C 2.147 179.184 176.870 0.279 0.000 1.085 642 L CA 1.847 56.808 54.840 0.202 0.000 0.755 642 L CB -1.109 41.032 42.059 0.137 0.000 0.904 642 L HN 0.151 nan 8.230 nan 0.000 0.435 643 Y N -0.257 120.111 120.300 0.114 0.000 2.145 643 Y HA -0.278 4.272 4.550 0.000 0.000 0.286 643 Y C 2.857 178.808 175.900 0.084 0.000 1.145 643 Y CA 0.972 59.118 58.100 0.077 0.000 1.148 643 Y CB -0.418 38.054 38.460 0.021 0.000 0.981 643 Y HN 0.473 nan 8.280 nan 0.000 0.507 644 S N 0.094 115.935 115.700 0.235 0.000 2.474 644 S HA -0.098 4.372 4.470 0.000 0.000 0.235 644 S C 1.899 176.610 174.600 0.185 0.000 0.997 644 S CA 0.554 58.852 58.200 0.164 0.000 0.949 644 S CB -0.341 62.922 63.200 0.105 0.000 0.766 644 S HN 0.367 nan 8.310 nan 0.000 0.517 645 A N 3.356 126.302 122.820 0.211 0.000 1.872 645 A HA -0.006 4.314 4.320 0.000 0.000 0.214 645 A C 2.270 179.992 177.584 0.229 0.000 1.187 645 A CA 1.267 53.413 52.037 0.182 0.000 0.614 645 A CB -0.635 18.458 19.000 0.155 0.000 0.826 645 A HN 0.734 nan 8.150 nan 0.000 0.442 646 R N 0.002 120.658 120.500 0.260 0.000 2.189 646 R HA 0.080 4.420 4.340 0.000 0.000 0.223 646 R C 1.859 178.369 176.300 0.351 0.000 1.092 646 R CA 1.560 57.847 56.100 0.312 0.000 0.989 646 R CB -1.265 29.214 30.300 0.298 0.000 0.876 646 R HN 0.295 nan 8.270 nan 0.000 0.457 647 G N 0.986 109.943 108.800 0.261 0.000 2.414 647 G HA2 -0.225 3.735 3.960 0.000 0.000 0.215 647 G HA3 -0.225 3.735 3.960 0.000 0.000 0.215 647 G C 0.756 175.803 174.900 0.246 0.000 1.188 647 G CA 0.822 46.052 45.100 0.216 0.000 0.783 647 G HN 0.267 nan 8.290 nan 0.000 0.537 648 D N -0.292 120.233 120.400 0.208 0.000 2.218 648 D HA -0.069 4.571 4.640 0.000 0.000 0.204 648 D C 1.843 178.264 176.300 0.203 0.000 0.976 648 D CA 0.296 54.396 54.000 0.166 0.000 0.853 648 D CB -0.225 40.644 40.800 0.114 0.000 0.939 648 D HN 0.278 nan 8.370 nan 0.000 0.481 649 F N -0.147 119.885 119.950 0.137 0.000 2.128 649 F HA -0.062 4.465 4.527 0.000 0.000 0.295 649 F C 2.027 177.927 175.800 0.167 0.000 1.100 649 F CA 0.853 58.929 58.000 0.126 0.000 1.260 649 F CB -0.416 38.685 39.000 0.169 0.000 1.009 649 F HN -0.110 nan 8.300 nan 0.000 0.476 650 F N 0.943 121.035 119.950 0.236 0.000 2.091 650 F HA -0.262 4.265 4.527 0.000 0.000 0.299 650 F C 2.629 178.449 175.800 0.034 0.000 1.103 650 F CA 1.828 59.913 58.000 0.142 0.000 1.228 650 F CB -0.325 38.767 39.000 0.154 0.000 0.984 650 F HN -0.193 nan 8.300 nan 0.000 0.477 651 R N -0.084 120.602 120.500 0.311 0.000 2.096 651 R HA -0.230 4.110 4.340 0.000 0.000 0.240 651 R C 2.404 178.734 176.300 0.050 0.000 1.139 651 R CA 1.377 57.580 56.100 0.171 0.000 0.952 651 R CB -0.895 29.468 30.300 0.106 0.000 0.854 651 R HN 0.400 nan 8.270 nan 0.000 0.436 652 A N 0.716 123.503 122.820 -0.056 0.000 1.877 652 A HA -0.208 4.112 4.320 0.000 0.000 0.216 652 A C 2.312 179.768 177.584 -0.213 0.000 1.186 652 A CA 2.239 54.167 52.037 -0.182 0.000 0.620 652 A CB -1.113 17.696 19.000 -0.319 0.000 0.822 652 A HN 0.564 nan 8.150 nan 0.000 0.443 653 T N -2.544 111.852 114.554 -0.262 0.000 2.720 653 T HA -0.150 4.200 4.350 0.000 0.000 0.268 653 T C 2.023 176.771 174.700 0.079 0.000 1.037 653 T CA 1.961 64.015 62.100 -0.078 0.000 1.144 653 T CB -0.721 68.089 68.868 -0.095 0.000 0.864 653 T HN 0.285 nan 8.240 nan 0.000 0.444 654 S N 1.064 116.798 115.700 0.056 0.000 2.356 654 S HA -0.053 4.417 4.470 0.000 0.000 0.223 654 S C 2.151 176.802 174.600 0.084 0.000 1.032 654 S CA 1.076 59.341 58.200 0.109 0.000 1.005 654 S CB -0.450 62.852 63.200 0.171 0.000 0.867 654 S HN 0.509 nan 8.310 nan 0.000 0.449 655 R N 0.610 121.134 120.500 0.039 0.000 2.105 655 R HA -0.095 4.245 4.340 0.000 0.000 0.239 655 R C 2.288 178.592 176.300 0.007 0.000 1.135 655 R CA 1.250 57.357 56.100 0.012 0.000 0.967 655 R CB -0.463 29.821 30.300 -0.027 0.000 0.861 655 R HN 0.363 nan 8.270 nan 0.000 0.442 656 L N 0.564 121.783 121.223 -0.007 0.000 2.072 656 L HA -0.067 4.273 4.340 0.000 0.000 0.205 656 L C 1.979 179.005 176.870 0.260 0.000 1.079 656 L CA 1.924 56.767 54.840 0.005 0.000 0.752 656 L CB -0.569 41.368 42.059 -0.203 0.000 0.906 656 L HN 0.066 nan 8.230 nan 0.000 0.436 657 T N -1.162 113.582 114.554 0.317 0.000 2.867 657 T HA -0.139 4.211 4.350 0.000 0.000 0.268 657 T C 1.710 176.550 174.700 0.233 0.000 1.057 657 T CA 1.716 64.015 62.100 0.332 0.000 1.136 657 T CB -0.325 68.652 68.868 0.181 0.000 0.874 657 T HN 0.423 nan 8.240 nan 0.000 0.466 658 T N 1.947 116.589 114.554 0.147 0.000 2.701 658 T HA -0.113 4.237 4.350 0.000 0.000 0.263 658 T C 1.734 176.484 174.700 0.082 0.000 1.040 658 T CA 1.198 63.356 62.100 0.097 0.000 1.147 658 T CB -0.470 68.435 68.868 0.062 0.000 0.865 658 T HN 0.323 nan 8.240 nan 0.000 0.426 659 D N 0.493 120.918 120.400 0.041 0.000 2.158 659 D HA -0.072 4.568 4.640 0.000 0.000 0.197 659 D C 1.799 178.065 176.300 -0.056 0.000 0.995 659 D CA 1.014 54.986 54.000 -0.046 0.000 0.846 659 D CB -0.438 40.275 40.800 -0.146 0.000 0.941 659 D HN 0.367 nan 8.370 nan 0.000 0.456 660 F N 1.155 121.105 119.950 0.001 0.000 2.075 660 F HA -0.071 4.456 4.527 0.000 0.000 0.297 660 F C 2.656 178.458 175.800 0.002 0.000 1.113 660 F CA 1.408 59.409 58.000 0.002 0.000 1.218 660 F CB -0.682 38.330 39.000 0.021 0.000 0.984 660 F HN 0.008 nan 8.300 nan 0.000 0.472 661 G N 0.093 109.020 108.800 0.211 0.000 2.529 661 G HA2 -0.307 3.653 3.960 0.000 0.000 0.219 661 G HA3 -0.307 3.653 3.960 0.000 0.000 0.219 661 G C 1.315 176.260 174.900 0.075 0.000 1.177 661 G CA 1.252 46.422 45.100 0.116 0.000 0.773 661 G HN 0.277 nan 8.290 nan 0.000 0.573 662 N N 1.413 120.146 118.700 0.055 0.000 2.515 662 N HA 0.224 4.964 4.740 0.000 0.000 0.191 662 N C 0.535 176.057 175.510 0.021 0.000 1.182 662 N CA 0.602 53.671 53.050 0.032 0.000 0.879 662 N CB 0.175 38.674 38.487 0.021 0.000 0.984 662 N HN 0.402 nan 8.380 nan 0.000 0.453 663 A N 0.716 123.552 122.820 0.026 0.000 2.312 663 A HA 0.458 4.778 4.320 0.000 0.000 0.328 663 A C -0.372 177.230 177.584 0.030 0.000 1.158 663 A CA -0.659 51.384 52.037 0.010 0.000 0.821 663 A CB 0.659 19.640 19.000 -0.031 0.000 1.170 663 A HN 0.055 nan 8.150 nan 0.000 0.490 664 E N 2.287 122.501 120.200 0.023 0.000 2.003 664 E HA 0.202 4.552 4.350 0.000 0.000 0.279 664 E C 0.127 176.746 176.600 0.031 0.000 1.132 664 E CA -0.462 55.955 56.400 0.028 0.000 0.888 664 E CB 0.368 30.084 29.700 0.027 0.000 1.056 664 E HN 0.410 nan 8.360 nan 0.000 0.399 665 K N 1.537 121.958 120.400 0.035 0.000 2.589 665 K HA -0.119 4.201 4.320 0.000 0.000 0.195 665 K C 1.152 177.767 176.600 0.026 0.000 1.042 665 K CA 1.182 57.490 56.287 0.034 0.000 0.940 665 K CB -0.680 31.832 32.500 0.021 0.000 0.776 665 K HN 0.633 nan 8.250 nan 0.000 0.487 666 T N -2.155 112.416 114.554 0.029 0.000 3.051 666 T HA -0.020 4.330 4.350 0.000 0.000 0.255 666 T C 0.749 175.474 174.700 0.041 0.000 1.085 666 T CA -0.161 61.959 62.100 0.034 0.000 1.109 666 T CB 0.067 68.955 68.868 0.035 0.000 0.921 666 T HN -0.065 nan 8.240 nan 0.000 0.488 667 D N 2.858 123.285 120.400 0.044 0.000 2.470 667 D HA 0.069 4.709 4.640 0.000 0.000 0.226 667 D C 1.561 177.907 176.300 0.075 0.000 1.196 667 D CA -0.481 53.557 54.000 0.063 0.000 0.979 667 D CB 0.406 41.245 40.800 0.065 0.000 1.059 667 D HN 0.539 nan 8.370 nan 0.000 0.515 668 R N 1.847 122.394 120.500 0.078 0.000 2.316 668 R HA -0.180 4.160 4.340 0.000 0.000 0.232 668 R C 1.302 177.661 176.300 0.097 0.000 1.137 668 R CA 0.910 57.052 56.100 0.071 0.000 1.012 668 R CB -0.438 29.903 30.300 0.068 0.000 0.859 668 R HN 0.319 nan 8.270 nan 0.000 0.474 669 F N 0.388 120.326 119.950 -0.021 0.000 2.188 669 F HA 0.030 4.557 4.527 0.000 0.000 0.289 669 F C 2.139 177.915 175.800 -0.040 0.000 1.082 669 F CA 0.882 58.866 58.000 -0.027 0.000 1.282 669 F CB -0.377 38.610 39.000 -0.022 0.000 1.060 669 F HN -0.130 nan 8.300 nan 0.000 0.493 670 V N 0.934 120.886 119.914 0.063 0.000 2.490 670 V HA -0.248 3.872 4.120 0.000 0.000 0.250 670 V C 2.093 178.092 176.094 -0.157 0.000 1.061 670 V CA 1.702 63.964 62.300 -0.063 0.000 1.064 670 V CB -0.312 31.514 31.823 0.005 0.000 0.670 670 V HN 0.336 nan 8.190 nan 0.000 0.461 671 M N -0.491 119.048 119.600 -0.102 0.000 2.319 671 M HA -0.043 4.437 4.480 0.000 0.000 0.265 671 M C 2.068 178.290 176.300 -0.129 0.000 1.068 671 M CA 1.599 56.839 55.300 -0.101 0.000 1.118 671 M CB -1.019 31.572 32.600 -0.014 0.000 1.395 671 M HN 0.321 nan 8.290 nan 0.000 0.435 672 K N 1.138 121.435 120.400 -0.171 0.000 2.001 672 K HA -0.138 4.182 4.320 0.000 0.000 0.208 672 K C 1.951 178.414 176.600 -0.228 0.000 1.048 672 K CA 1.589 57.763 56.287 -0.187 0.000 0.932 672 K CB -0.309 32.036 32.500 -0.258 0.000 0.715 672 K HN 0.179 nan 8.250 nan 0.000 0.437 673 K N 0.191 120.392 120.400 -0.331 0.000 2.074 673 K HA -0.154 4.166 4.320 0.000 0.000 0.209 673 K C 2.002 178.446 176.600 -0.259 0.000 1.048 673 K CA 1.771 57.877 56.287 -0.302 0.000 0.926 673 K CB -0.193 32.113 32.500 -0.323 0.000 0.713 673 K HN 0.177 nan 8.250 nan 0.000 0.444 674 L N 0.809 121.842 121.223 -0.315 0.000 2.056 674 L HA -0.162 4.178 4.340 0.000 0.000 0.207 674 L C 2.122 178.858 176.870 -0.222 0.000 1.078 674 L CA 0.898 55.478 54.840 -0.432 0.000 0.749 674 L CB -0.532 40.971 42.059 -0.927 0.000 0.901 674 L HN 0.251 nan 8.230 nan 0.000 0.433 675 N N 0.016 118.661 118.700 -0.092 0.000 2.309 675 N HA -0.163 4.577 4.740 0.000 0.000 0.182 675 N C 1.304 176.775 175.510 -0.065 0.000 1.018 675 N CA 1.085 54.148 53.050 0.021 0.000 0.876 675 N CB -0.231 38.261 38.487 0.007 0.000 0.972 675 N HN 0.332 nan 8.380 nan 0.000 0.434 676 D N 0.937 121.274 120.400 -0.105 0.000 2.117 676 D HA -0.068 4.572 4.640 0.000 0.000 0.198 676 D C 1.978 178.200 176.300 -0.129 0.000 0.982 676 D CA 0.697 54.624 54.000 -0.121 0.000 0.828 676 D CB -0.063 40.662 40.800 -0.125 0.000 0.967 676 D HN 0.238 nan 8.370 nan 0.000 0.464 677 R N 0.569 120.986 120.500 -0.138 0.000 2.105 677 R HA -0.078 4.262 4.340 0.000 0.000 0.239 677 R C 2.335 178.554 176.300 -0.135 0.000 1.135 677 R CA 0.611 56.623 56.100 -0.146 0.000 0.967 677 R CB -0.761 29.417 30.300 -0.203 0.000 0.861 677 R HN 0.188 nan 8.270 nan 0.000 0.442 678 V N 1.451 121.308 119.914 -0.096 0.000 2.358 678 V HA -0.204 3.916 4.120 0.000 0.000 0.246 678 V C 2.425 178.504 176.094 -0.025 0.000 1.047 678 V CA 1.622 63.898 62.300 -0.039 0.000 1.035 678 V CB -0.407 31.467 31.823 0.085 0.000 0.658 678 V HN 0.257 nan 8.190 nan 0.000 0.452 679 M N -0.729 118.826 119.600 -0.075 0.000 2.296 679 M HA -0.118 4.362 4.480 0.000 0.000 0.265 679 M C 2.209 178.447 176.300 -0.103 0.000 1.064 679 M CA 1.509 56.753 55.300 -0.094 0.000 1.109 679 M CB -0.330 32.149 32.600 -0.201 0.000 1.396 679 M HN 0.215 nan 8.290 nan 0.000 0.430 680 R N -0.519 119.909 120.500 -0.120 0.000 2.275 680 R HA 0.023 4.363 4.340 0.000 0.000 0.199 680 R C 1.975 178.213 176.300 -0.103 0.000 0.989 680 R CA 0.311 56.319 56.100 -0.153 0.000 1.016 680 R CB -0.158 30.074 30.300 -0.113 0.000 0.918 680 R HN 0.237 nan 8.270 nan 0.000 0.473 681 V N 1.046 120.934 119.914 -0.043 0.000 2.261 681 V HA -0.265 3.855 4.120 0.000 0.000 0.246 681 V C 2.193 178.177 176.094 -0.183 0.000 1.047 681 V CA 2.091 64.337 62.300 -0.090 0.000 1.015 681 V CB -0.379 31.451 31.823 0.011 0.000 0.642 681 V HN 0.234 nan 8.190 nan 0.000 0.446 682 E N -0.488 119.727 120.200 0.025 0.000 2.077 682 E HA -0.260 4.090 4.350 0.000 0.000 0.193 682 E C 2.037 178.725 176.600 0.147 0.000 0.989 682 E CA 1.634 58.141 56.400 0.179 0.000 0.800 682 E CB -0.501 29.348 29.700 0.248 0.000 0.746 682 E HN 0.698 nan 8.360 nan 0.000 0.452 683 Y N 0.229 120.477 120.300 -0.087 0.000 2.224 683 Y HA -0.217 4.333 4.550 0.000 0.000 0.289 683 Y C 1.866 177.657 175.900 -0.181 0.000 1.146 683 Y CA 2.042 60.060 58.100 -0.136 0.000 1.182 683 Y CB -0.316 38.001 38.460 -0.237 0.000 0.983 683 Y HN 0.223 nan 8.280 nan 0.000 0.524 684 H N -0.866 117.983 119.070 -0.368 0.000 2.567 684 H HA -0.038 4.518 4.556 0.000 0.000 0.276 684 H C 1.186 176.257 175.328 -0.429 0.000 1.016 684 H CA 0.965 56.704 56.048 -0.515 0.000 1.186 684 H CB -0.624 28.892 29.762 -0.409 0.000 1.351 684 H HN 0.491 nan 8.280 nan 0.000 0.605 685 F N 0.137 119.938 119.950 -0.249 0.000 2.727 685 F HA 0.143 4.670 4.527 0.000 0.000 0.302 685 F C 0.712 176.231 175.800 -0.468 0.000 1.097 685 F CA -0.328 57.438 58.000 -0.389 0.000 1.330 685 F CB 0.624 39.320 39.000 -0.508 0.000 1.084 685 F HN -0.088 nan 8.300 nan 0.000 0.578 686 L N 0.471 121.579 121.223 -0.191 0.000 2.331 686 L HA 0.156 4.496 4.340 0.000 0.000 0.278 686 L C 0.812 177.557 176.870 -0.208 0.000 1.106 686 L CA -0.383 54.359 54.840 -0.164 0.000 0.824 686 L CB 1.185 43.139 42.059 -0.175 0.000 1.142 686 L HN -0.111 nan 8.230 nan 0.000 0.443 687 S N 4.650 120.258 115.700 -0.153 0.000 2.525 687 S HA 0.162 4.632 4.470 0.000 0.000 0.285 687 S C -1.383 173.056 174.600 -0.269 0.000 1.283 687 S CA -1.006 57.103 58.200 -0.152 0.000 1.072 687 S CB 0.602 63.761 63.200 -0.068 0.000 0.867 687 S HN 0.474 nan 8.310 nan 0.000 0.492 688 P HA 0.154 nan 4.420 nan 0.000 0.262 688 P C -0.313 176.593 177.300 -0.657 0.000 1.304 688 P CA 0.233 62.992 63.100 -0.570 0.000 0.859 688 P CB -0.157 31.143 31.700 -0.666 0.000 1.310 689 Y N -0.211 120.050 120.300 -0.065 0.000 2.481 689 Y HA 0.174 4.724 4.550 0.000 0.000 0.247 689 Y C 1.378 177.238 175.900 -0.066 0.000 1.151 689 Y CA -0.616 57.452 58.100 -0.053 0.000 1.238 689 Y CB 0.683 39.121 38.460 -0.035 0.000 1.179 689 Y HN -0.197 nan 8.280 nan 0.000 0.524 690 V N -2.685 117.212 119.914 -0.028 0.000 3.046 690 V HA 0.613 4.733 4.120 0.000 0.000 0.316 690 V C 0.008 176.049 176.094 -0.089 0.000 1.104 690 V CA -1.208 61.053 62.300 -0.064 0.000 1.006 690 V CB 1.808 33.527 31.823 -0.174 0.000 1.058 690 V HN -0.042 nan 8.190 nan 0.000 0.440 691 S N 2.273 117.934 115.700 -0.064 0.000 2.474 691 S HA 0.449 4.919 4.470 0.000 0.000 0.276 691 S C -1.547 173.014 174.600 -0.065 0.000 1.227 691 S CA -0.807 57.361 58.200 -0.053 0.000 1.050 691 S CB 0.969 64.150 63.200 -0.031 0.000 0.939 691 S HN 0.766 nan 8.310 nan 0.000 0.490 692 P HA -0.033 nan 4.420 nan 0.000 0.222 692 P C 1.148 178.440 177.300 -0.013 0.000 1.147 692 P CA 0.758 63.854 63.100 -0.007 0.000 0.790 692 P CB 0.190 31.911 31.700 0.036 0.000 0.780 693 K N 0.238 120.627 120.400 -0.020 0.000 2.044 693 K HA -0.093 4.227 4.320 0.000 0.000 0.204 693 K C 1.740 178.299 176.600 -0.068 0.000 1.049 693 K CA 1.236 57.507 56.287 -0.028 0.000 0.945 693 K CB -0.029 32.482 32.500 0.018 0.000 0.724 693 K HN 0.061 nan 8.250 nan 0.000 0.440 694 E N -0.314 119.854 120.200 -0.053 0.000 2.299 694 E HA 0.009 4.359 4.350 0.000 0.000 0.193 694 E C -0.236 176.321 176.600 -0.072 0.000 0.998 694 E CA 0.415 56.783 56.400 -0.054 0.000 0.851 694 E CB 0.553 30.238 29.700 -0.026 0.000 0.795 694 E HN 0.018 nan 8.360 nan 0.000 0.492 695 S N 1.234 116.880 115.700 -0.089 0.000 2.204 695 S HA 0.128 4.598 4.470 0.000 0.000 0.147 695 S C -2.036 172.477 174.600 -0.146 0.000 1.711 695 S CA -0.878 57.271 58.200 -0.085 0.000 1.274 695 S CB 1.158 64.331 63.200 -0.044 0.000 1.257 695 S HN 0.089 nan 8.310 nan 0.000 0.404 696 P HA -0.130 nan 4.420 nan 0.000 0.216 696 P C 0.270 177.560 177.300 -0.017 0.000 1.150 696 P CA 1.072 64.015 63.100 -0.262 0.000 0.843 696 P CB -0.199 31.055 31.700 -0.743 0.000 0.787 697 F N 0.537 120.587 119.950 0.167 0.000 2.659 697 F HA 0.265 4.792 4.527 0.000 0.000 0.360 697 F C 1.878 177.829 175.800 0.252 0.000 1.218 697 F CA -0.773 57.349 58.000 0.204 0.000 1.317 697 F CB -0.277 38.895 39.000 0.287 0.000 1.697 697 F HN -0.241 nan 8.300 nan 0.000 0.637 698 R N -0.864 119.768 120.500 0.220 0.000 2.280 698 R HA -0.102 4.238 4.340 0.000 0.000 0.207 698 R C 0.381 176.777 176.300 0.160 0.000 1.043 698 R CA 0.170 56.260 56.100 -0.018 0.000 1.006 698 R CB -0.369 29.855 30.300 -0.127 0.000 0.885 698 R HN 0.429 nan 8.270 nan 0.000 0.467 699 H N 1.039 120.220 119.070 0.185 0.000 3.091 699 H HA -0.022 4.534 4.556 0.000 0.000 0.289 699 H C 1.535 176.927 175.328 0.107 0.000 0.995 699 H CA -0.180 55.969 56.048 0.168 0.000 1.461 699 H CB 0.879 30.781 29.762 0.234 0.000 1.510 699 H HN -0.053 nan 8.280 nan 0.000 0.546 700 V N 2.672 122.467 119.914 -0.199 0.000 3.026 700 V HA -0.170 3.950 4.120 0.000 0.000 0.265 700 V C 1.247 177.027 176.094 -0.525 0.000 1.121 700 V CA 1.468 63.586 62.300 -0.304 0.000 1.142 700 V CB -0.926 30.624 31.823 -0.455 0.000 0.730 700 V HN 0.596 nan 8.190 nan 0.000 0.503 701 F N -0.768 118.912 119.950 -0.451 0.000 2.453 701 F HA 0.312 4.839 4.527 0.000 0.000 0.284 701 F C 1.692 176.942 175.800 -0.916 0.000 1.065 701 F CA 0.738 58.202 58.000 -0.894 0.000 1.411 701 F CB -0.008 38.135 39.000 -1.430 0.000 1.131 701 F HN 0.212 nan 8.300 nan 0.000 0.582 702 W N -0.246 121.375 121.300 0.535 0.000 2.870 702 W HA 0.442 5.102 4.660 0.000 0.000 0.358 702 W C 1.294 177.974 176.519 0.269 0.000 1.043 702 W CA -0.144 57.351 57.345 0.251 0.000 1.692 702 W CB -0.628 28.843 29.460 0.017 0.000 1.100 702 W HN -0.114 nan 8.180 nan 0.000 0.557 703 G N 0.875 109.917 108.800 0.404 0.000 2.546 703 G HA2 0.477 4.437 3.960 0.000 0.000 0.239 703 G HA3 0.477 4.437 3.960 0.000 0.000 0.239 703 G C -0.382 174.762 174.900 0.407 0.000 1.476 703 G CA -0.298 45.078 45.100 0.460 0.000 1.064 703 G HN -0.065 nan 8.290 nan 0.000 0.561 704 S N -1.661 114.306 115.700 0.444 0.000 2.548 704 S HA 0.778 5.248 4.470 0.000 0.000 0.276 704 S C -0.091 174.581 174.600 0.120 0.000 1.129 704 S CA 0.201 58.553 58.200 0.253 0.000 0.931 704 S CB 1.737 65.149 63.200 0.352 0.000 1.068 704 S HN 2.009 nan 8.310 nan 0.000 0.480 705 G N 1.054 109.790 108.800 -0.107 0.000 2.362 705 G HA2 0.105 4.065 3.960 0.000 0.000 0.656 705 G HA3 0.105 4.065 3.960 0.000 0.000 0.656 705 G C 0.472 175.130 174.900 -0.405 0.000 1.376 705 G CA -0.070 44.920 45.100 -0.183 0.000 0.971 705 G HN 1.187 nan 8.290 nan 0.000 0.636 706 S N -0.254 115.347 115.700 -0.166 0.000 2.465 706 S HA -0.208 4.262 4.470 0.000 0.000 0.241 706 S C 1.773 176.276 174.600 -0.162 0.000 1.000 706 S CA 2.128 60.254 58.200 -0.123 0.000 0.964 706 S CB -0.651 62.532 63.200 -0.028 0.000 0.763 706 S HN 1.357 nan 8.310 nan 0.000 0.512 707 H N -0.459 118.600 119.070 -0.018 0.000 2.547 707 H HA 0.189 4.745 4.556 0.000 0.000 0.272 707 H C 0.495 175.771 175.328 -0.086 0.000 0.989 707 H CA 0.701 56.727 56.048 -0.036 0.000 1.214 707 H CB -1.132 28.628 29.762 -0.004 0.000 1.389 707 H HN 0.234 nan 8.280 nan 0.000 0.577 708 T N 1.661 115.891 114.554 -0.540 0.000 2.900 708 T HA 0.047 4.397 4.350 0.000 0.000 0.307 708 T C 1.421 175.942 174.700 -0.297 0.000 1.065 708 T CA -0.467 61.417 62.100 -0.360 0.000 1.105 708 T CB 0.873 69.542 68.868 -0.330 0.000 0.979 708 T HN 0.030 nan 8.240 nan 0.000 0.544 709 L N 4.724 125.697 121.223 -0.416 0.000 2.044 709 L HA 0.117 4.457 4.340 0.000 0.000 0.205 709 L C -0.682 176.095 176.870 -0.155 0.000 1.075 709 L CA 1.526 56.070 54.840 -0.494 0.000 0.747 709 L CB -1.669 39.752 42.059 -1.064 0.000 0.903 709 L HN 0.507 nan 8.230 nan 0.000 0.435 710 P HA -0.154 nan 4.420 nan 0.000 0.215 710 P C 1.578 178.883 177.300 0.009 0.000 1.153 710 P CA 1.851 64.949 63.100 -0.002 0.000 0.853 710 P CB -0.048 31.645 31.700 -0.010 0.000 0.788 711 A N -0.589 122.202 122.820 -0.048 0.000 1.978 711 A HA -0.201 4.119 4.320 0.000 0.000 0.220 711 A C 2.192 179.781 177.584 0.008 0.000 1.170 711 A CA 1.500 53.514 52.037 -0.039 0.000 0.636 711 A CB -1.714 17.222 19.000 -0.106 0.000 0.810 711 A HN 0.225 nan 8.150 nan 0.000 0.448 712 L N -0.792 120.449 121.223 0.030 0.000 2.093 712 L HA -0.091 4.249 4.340 0.000 0.000 0.208 712 L C 2.295 179.248 176.870 0.138 0.000 1.085 712 L CA 1.290 56.203 54.840 0.121 0.000 0.755 712 L CB -0.182 41.966 42.059 0.148 0.000 0.904 712 L HN 0.406 nan 8.230 nan 0.000 0.435 713 L N -0.411 120.871 121.223 0.099 0.000 2.072 713 L HA -0.175 4.165 4.340 0.000 0.000 0.205 713 L C 2.585 179.412 176.870 -0.071 0.000 1.079 713 L CA 1.086 55.921 54.840 -0.009 0.000 0.752 713 L CB -0.583 41.547 42.059 0.119 0.000 0.906 713 L HN 0.284 nan 8.230 nan 0.000 0.436 714 E N 0.833 121.040 120.200 0.012 0.000 2.097 714 E HA -0.266 4.084 4.350 0.000 0.000 0.196 714 E C 1.841 178.449 176.600 0.014 0.000 1.000 714 E CA 1.625 58.037 56.400 0.019 0.000 0.804 714 E CB -0.149 29.567 29.700 0.027 0.000 0.740 714 E HN 0.308 nan 8.360 nan 0.000 0.454 715 N N -0.658 118.064 118.700 0.038 0.000 2.106 715 N HA -0.119 4.621 4.740 0.000 0.000 0.188 715 N C 1.542 177.135 175.510 0.138 0.000 1.029 715 N CA 0.903 54.019 53.050 0.109 0.000 0.848 715 N CB -0.430 38.140 38.487 0.138 0.000 1.007 715 N HN 0.163 nan 8.380 nan 0.000 0.423 716 L N 1.675 122.847 121.223 -0.085 0.000 2.127 716 L HA -0.111 4.229 4.340 0.000 0.000 0.211 716 L C 2.206 178.759 176.870 -0.529 0.000 1.089 716 L CA 1.585 56.126 54.840 -0.500 0.000 0.757 716 L CB -0.919 40.560 42.059 -0.966 0.000 0.899 716 L HN 0.307 nan 8.230 nan 0.000 0.434 717 K N -0.721 119.487 120.400 -0.321 0.000 2.147 717 K HA -0.153 4.167 4.320 0.000 0.000 0.205 717 K C 2.040 178.648 176.600 0.013 0.000 1.049 717 K CA 1.103 57.399 56.287 0.015 0.000 0.936 717 K CB -0.089 32.475 32.500 0.106 0.000 0.722 717 K HN 0.342 nan 8.250 nan 0.000 0.446 718 L N 0.392 121.622 121.223 0.011 0.000 2.191 718 L HA -0.096 4.244 4.340 0.000 0.000 0.212 718 L C 2.594 179.448 176.870 -0.027 0.000 1.103 718 L CA 0.863 55.731 54.840 0.046 0.000 0.769 718 L CB -0.358 41.782 42.059 0.134 0.000 0.908 718 L HN 0.204 nan 8.230 nan 0.000 0.438 719 R N 0.179 120.538 120.500 -0.235 0.000 2.293 719 R HA -0.140 4.200 4.340 0.000 0.000 0.219 719 R C 2.063 178.223 176.300 -0.232 0.000 1.091 719 R CA 0.680 56.490 56.100 -0.484 0.000 1.004 719 R CB 0.142 29.789 30.300 -1.089 0.000 0.865 719 R HN 0.199 nan 8.270 nan 0.000 0.469 720 K N 0.755 121.090 120.400 -0.109 0.000 1.963 720 K HA -0.123 4.197 4.320 0.000 0.000 0.216 720 K C 0.528 177.101 176.600 -0.045 0.000 1.045 720 K CA 1.341 57.595 56.287 -0.054 0.000 0.954 720 K CB -0.483 32.014 32.500 -0.005 0.000 0.732 720 K HN 0.305 nan 8.250 nan 0.000 0.442 721 Q N 2.882 122.670 119.800 -0.020 0.000 2.489 721 Q HA 0.041 4.381 4.340 0.000 0.000 0.231 721 Q C -0.554 175.441 176.000 -0.007 0.000 1.273 721 Q CA -0.253 55.545 55.803 -0.009 0.000 0.898 721 Q CB -0.267 28.475 28.738 0.006 0.000 1.545 721 Q HN 0.153 nan 8.270 nan 0.000 0.538 722 N N 3.693 122.382 118.700 -0.018 0.000 2.695 722 N HA -0.101 4.639 4.740 0.000 0.000 0.315 722 N C -0.899 174.619 175.510 0.013 0.000 1.166 722 N CA 0.794 53.837 53.050 -0.011 0.000 1.166 722 N CB -0.251 38.225 38.487 -0.017 0.000 1.407 722 N HN 0.432 nan 8.380 nan 0.000 0.529 723 N N -0.507 118.210 118.700 0.028 0.000 2.519 723 N HA 0.150 4.890 4.740 0.000 0.000 0.291 723 N C 1.213 176.754 175.510 0.051 0.000 1.107 723 N CA -0.126 52.945 53.050 0.034 0.000 0.904 723 N CB 1.845 40.347 38.487 0.024 0.000 1.500 723 N HN 0.236 nan 8.380 nan 0.000 0.510 724 G N 2.940 111.771 108.800 0.052 0.000 3.191 724 G HA2 -0.510 3.450 3.960 0.000 0.000 0.357 724 G HA3 -0.510 3.450 3.960 0.000 0.000 0.357 724 G C 1.293 176.234 174.900 0.070 0.000 1.651 724 G CA 2.914 48.044 45.100 0.051 0.000 1.737 724 G HN 0.983 nan 8.290 nan 0.000 0.865 725 A N -0.077 122.778 122.820 0.058 0.000 1.670 725 A HA -0.237 4.083 4.320 0.000 0.000 0.312 725 A C 1.486 179.123 177.584 0.089 0.000 3.495 725 A CA 2.636 54.712 52.037 0.064 0.000 0.917 725 A CB -1.234 17.808 19.000 0.071 0.000 0.783 725 A HN 1.819 nan 8.150 nan 0.000 0.530 726 F N 1.609 121.543 119.950 -0.027 0.000 2.593 726 F HA 0.273 4.800 4.527 0.000 0.000 0.393 726 F C 0.434 176.223 175.800 -0.018 0.000 1.037 726 F CA -0.142 57.835 58.000 -0.038 0.000 1.195 726 F CB 0.011 38.972 39.000 -0.064 0.000 1.034 726 F HN 0.361 nan 8.300 nan 0.000 0.552 727 N N 5.758 124.057 118.700 -0.668 0.000 2.546 727 N HA 0.048 4.788 4.740 0.000 0.000 0.238 727 N C 0.814 175.806 175.510 -0.862 0.000 0.984 727 N CA -0.112 52.612 53.050 -0.544 0.000 0.935 727 N CB 0.620 38.945 38.487 -0.270 0.000 1.122 727 N HN 0.910 nan 8.380 nan 0.000 0.510 728 E N 1.868 121.606 120.200 -0.770 0.000 2.051 728 E HA -0.195 4.155 4.350 0.000 0.000 0.192 728 E C 1.053 177.581 176.600 -0.121 0.000 0.991 728 E CA 2.021 58.162 56.400 -0.432 0.000 0.799 728 E CB 0.181 29.878 29.700 -0.005 0.000 0.748 728 E HN 0.726 nan 8.360 nan 0.000 0.449 729 T N 0.179 114.667 114.554 -0.110 0.000 2.788 729 T HA -0.204 4.146 4.350 0.000 0.000 0.268 729 T C 1.946 176.590 174.700 -0.093 0.000 1.044 729 T CA 1.190 63.247 62.100 -0.071 0.000 1.139 729 T CB -0.456 68.372 68.868 -0.067 0.000 0.867 729 T HN 0.191 nan 8.240 nan 0.000 0.454 730 L N 0.434 121.582 121.223 -0.126 0.000 2.042 730 L HA 0.088 4.428 4.340 0.000 0.000 0.210 730 L C 2.169 178.982 176.870 -0.096 0.000 1.076 730 L CA 1.622 56.395 54.840 -0.112 0.000 0.749 730 L CB -1.175 40.811 42.059 -0.122 0.000 0.893 730 L HN 0.291 nan 8.230 nan 0.000 0.432 731 F N 0.656 120.474 119.950 -0.220 0.000 2.102 731 F HA -0.164 4.363 4.527 0.000 0.000 0.298 731 F C 2.521 178.285 175.800 -0.061 0.000 1.105 731 F CA 1.699 59.624 58.000 -0.125 0.000 1.239 731 F CB -0.345 38.603 39.000 -0.086 0.000 0.991 731 F HN 0.033 nan 8.300 nan 0.000 0.474 732 R N 0.218 120.633 120.500 -0.142 0.000 2.127 732 R HA -0.185 4.155 4.340 0.000 0.000 0.238 732 R C 1.952 178.073 176.300 -0.299 0.000 1.134 732 R CA 1.450 57.418 56.100 -0.219 0.000 0.975 732 R CB -0.708 29.572 30.300 -0.033 0.000 0.865 732 R HN 0.404 nan 8.270 nan 0.000 0.447 733 N N 0.835 119.389 118.700 -0.242 0.000 2.207 733 N HA -0.110 4.630 4.740 0.000 0.000 0.182 733 N C 1.780 177.135 175.510 -0.258 0.000 1.020 733 N CA 0.994 53.910 53.050 -0.224 0.000 0.858 733 N CB 0.010 38.398 38.487 -0.165 0.000 0.991 733 N HN 0.346 nan 8.380 nan 0.000 0.427 734 Q N 0.602 120.233 119.800 -0.281 0.000 2.112 734 Q HA -0.160 4.180 4.340 0.000 0.000 0.206 734 Q C 2.078 177.900 176.000 -0.298 0.000 0.987 734 Q CA 1.182 56.834 55.803 -0.251 0.000 0.858 734 Q CB -0.132 28.478 28.738 -0.214 0.000 0.905 734 Q HN 0.197 nan 8.270 nan 0.000 0.420 735 L N 0.420 121.344 121.223 -0.499 0.000 2.005 735 L HA -0.121 4.219 4.340 0.000 0.000 0.207 735 L C 2.209 178.954 176.870 -0.209 0.000 1.072 735 L CA 2.049 56.655 54.840 -0.390 0.000 0.744 735 L CB -0.829 40.872 42.059 -0.596 0.000 0.895 735 L HN 0.145 nan 8.230 nan 0.000 0.433 736 A N -0.521 122.160 122.820 -0.233 0.000 1.917 736 A HA -0.214 4.106 4.320 0.000 0.000 0.219 736 A C 2.240 179.746 177.584 -0.130 0.000 1.182 736 A CA 2.300 54.231 52.037 -0.176 0.000 0.633 736 A CB -0.951 17.915 19.000 -0.224 0.000 0.819 736 A HN 0.526 nan 8.150 nan 0.000 0.448 737 L N -1.338 119.775 121.223 -0.183 0.000 2.095 737 L HA -0.069 4.271 4.340 0.000 0.000 0.204 737 L C 3.095 179.962 176.870 -0.005 0.000 1.080 737 L CA 0.876 55.617 54.840 -0.164 0.000 0.759 737 L CB -0.664 41.243 42.059 -0.253 0.000 0.914 737 L HN 0.413 nan 8.230 nan 0.000 0.439 738 A N -0.050 122.735 122.820 -0.058 0.000 1.902 738 A HA -0.196 4.124 4.320 0.000 0.000 0.217 738 A C 2.373 179.941 177.584 -0.026 0.000 1.181 738 A CA 2.361 54.345 52.037 -0.088 0.000 0.623 738 A CB -0.924 17.988 19.000 -0.147 0.000 0.818 738 A HN 0.365 nan 8.150 nan 0.000 0.443 739 T N -1.560 113.015 114.554 0.035 0.000 2.652 739 T HA -0.192 4.158 4.350 0.000 0.000 0.267 739 T C 1.629 176.401 174.700 0.120 0.000 1.039 739 T CA 1.253 63.413 62.100 0.101 0.000 1.153 739 T CB -0.328 68.621 68.868 0.135 0.000 0.863 739 T HN 0.691 nan 8.240 nan 0.000 0.428 740 W N 1.438 122.727 121.300 -0.018 0.000 2.467 740 W HA -0.118 4.542 4.660 0.000 0.000 0.275 740 W C 2.044 178.602 176.519 0.066 0.000 1.239 740 W CA 0.968 58.323 57.345 0.016 0.000 1.266 740 W CB -0.344 29.107 29.460 -0.015 0.000 1.112 740 W HN 0.253 nan 8.180 nan 0.000 0.576 741 T N 1.333 115.952 114.554 0.107 0.000 2.788 741 T HA -0.187 4.163 4.350 0.000 0.000 0.268 741 T C 1.748 176.397 174.700 -0.085 0.000 1.044 741 T CA 1.638 63.760 62.100 0.036 0.000 1.139 741 T CB -0.211 68.695 68.868 0.064 0.000 0.867 741 T HN 0.106 nan 8.240 nan 0.000 0.454 742 I N 0.432 120.949 120.570 -0.088 0.000 2.277 742 I HA -0.104 4.066 4.170 0.000 0.000 0.243 742 I C 2.871 178.911 176.117 -0.128 0.000 1.094 742 I CA 0.867 62.136 61.300 -0.051 0.000 1.393 742 I CB -0.288 37.694 38.000 -0.031 0.000 1.078 742 I HN 0.113 nan 8.210 nan 0.000 0.417 743 Q N 0.713 120.331 119.800 -0.304 0.000 2.135 743 Q HA -0.159 4.181 4.340 0.000 0.000 0.204 743 Q C 2.274 177.937 176.000 -0.561 0.000 0.981 743 Q CA 1.868 57.401 55.803 -0.450 0.000 0.856 743 Q CB -0.554 27.712 28.738 -0.787 0.000 0.902 743 Q HN 0.619 nan 8.270 nan 0.000 0.425 744 G N 0.571 108.919 108.800 -0.753 0.000 2.421 744 G HA2 -0.196 3.764 3.960 0.000 0.000 0.216 744 G HA3 -0.196 3.764 3.960 0.000 0.000 0.216 744 G C 1.552 176.229 174.900 -0.370 0.000 1.171 744 G CA 1.167 45.936 45.100 -0.551 0.000 0.775 744 G HN 0.459 nan 8.290 nan 0.000 0.543 745 A N 1.019 123.674 122.820 -0.276 0.000 1.978 745 A HA 0.222 4.542 4.320 0.000 0.000 0.220 745 A C 2.755 180.308 177.584 -0.052 0.000 1.170 745 A CA 2.337 54.237 52.037 -0.229 0.000 0.636 745 A CB -0.624 18.248 19.000 -0.214 0.000 0.810 745 A HN 0.755 nan 8.150 nan 0.000 0.448 746 A N 0.159 123.015 122.820 0.060 0.000 1.872 746 A HA -0.141 4.179 4.320 0.000 0.000 0.214 746 A C 1.857 179.369 177.584 -0.120 0.000 1.187 746 A CA 1.372 53.449 52.037 0.067 0.000 0.614 746 A CB -0.748 18.349 19.000 0.163 0.000 0.826 746 A HN 0.697 nan 8.150 nan 0.000 0.442 747 N N 0.080 118.681 118.700 -0.165 0.000 2.364 747 N HA -0.077 4.663 4.740 0.000 0.000 0.183 747 N C 1.770 177.157 175.510 -0.204 0.000 1.022 747 N CA 0.775 53.724 53.050 -0.170 0.000 0.883 747 N CB -0.128 38.259 38.487 -0.168 0.000 0.965 747 N HN 0.534 nan 8.380 nan 0.000 0.438 748 A N 0.956 123.617 122.820 -0.265 0.000 1.903 748 A HA 0.014 4.334 4.320 0.000 0.000 0.213 748 A C 2.041 179.483 177.584 -0.237 0.000 1.185 748 A CA 0.382 52.244 52.037 -0.291 0.000 0.628 748 A CB -0.428 18.258 19.000 -0.524 0.000 0.830 748 A HN 0.152 nan 8.150 nan 0.000 0.446 749 L N 1.171 122.248 121.223 -0.244 0.000 2.131 749 L HA -0.129 4.211 4.340 0.000 0.000 0.210 749 L C 2.589 179.300 176.870 -0.265 0.000 1.092 749 L CA 2.556 57.232 54.840 -0.274 0.000 0.759 749 L CB -0.544 41.284 42.059 -0.386 0.000 0.903 749 L HN 0.493 nan 8.230 nan 0.000 0.435 750 S N -0.855 114.711 115.700 -0.224 0.000 2.481 750 S HA 0.262 4.732 4.470 0.000 0.000 0.231 750 S C 1.104 175.598 174.600 -0.177 0.000 0.996 750 S CA 0.242 58.334 58.200 -0.181 0.000 0.942 750 S CB -1.087 62.031 63.200 -0.137 0.000 0.768 750 S HN 0.895 nan 8.310 nan 0.000 0.520 751 G N 0.793 109.471 108.800 -0.204 0.000 2.722 751 G HA2 0.097 4.057 3.960 0.000 0.000 0.686 751 G HA3 0.097 4.057 3.960 0.000 0.000 0.686 751 G C -0.924 173.802 174.900 -0.291 0.000 1.282 751 G CA -0.536 44.431 45.100 -0.222 0.000 0.817 751 G HN 0.583 nan 8.290 nan 0.000 0.605 752 D N -0.541 119.621 120.400 -0.396 0.000 4.323 752 D HA -0.080 4.560 4.640 0.000 0.000 0.228 752 D C 1.869 177.696 176.300 -0.789 0.000 1.011 752 D CA 1.693 55.240 54.000 -0.754 0.000 1.233 752 D CB -0.641 39.618 40.800 -0.902 0.000 0.738 752 D HN 1.723 nan 8.370 nan 0.000 0.375 753 V N 1.580 121.077 119.914 -0.695 0.000 2.252 753 V HA -0.354 3.766 4.120 0.000 0.000 0.255 753 V C 2.164 178.108 176.094 -0.251 0.000 1.071 753 V CA 2.488 64.564 62.300 -0.374 0.000 1.050 753 V CB -1.223 30.477 31.823 -0.205 0.000 0.654 753 V HN 0.799 nan 8.190 nan 0.000 0.448 754 W N 1.344 122.646 121.300 0.004 0.000 2.468 754 W HA 0.092 4.752 4.660 0.000 0.000 0.262 754 W C 0.964 177.486 176.519 0.005 0.000 1.241 754 W CA 0.651 58.001 57.345 0.007 0.000 1.232 754 W CB -1.085 28.378 29.460 0.006 0.000 1.124 754 W HN 0.227 nan 8.180 nan 0.000 0.597 755 D N 1.177 121.541 120.400 -0.059 0.000 2.894 755 D HA 0.223 4.863 4.640 0.000 0.000 0.248 755 D C 0.483 176.769 176.300 -0.023 0.000 1.291 755 D CA 0.076 54.094 54.000 0.030 0.000 0.840 755 D CB -0.214 40.583 40.800 -0.005 0.000 1.044 755 D HN 0.215 nan 8.370 nan 0.000 0.484 756 I N 0.000 120.566 120.570 -0.007 0.000 2.984 756 I HA 0.000 4.170 4.170 0.000 0.000 0.288 756 I CA 0.000 61.295 61.300 -0.008 0.000 1.566 756 I CB 0.000 37.991 38.000 -0.015 0.000 1.214 756 I HN 0.000 nan 8.210 nan 0.000 0.494