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 1cx8_1_D DATA FIRST_RESID 122 DATA SEQUENCE LYWDDLKRKL SEKLDSTDFT STIKLLNENS YVPREAGSQK DENLALYVEN DATA SEQUENCE EFREFKLSKV 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 EEYNSQLLSF DATA SEQUENCE VRDLNQYRAD IKEMGLSLQW LYSARGDFFR ATSRLTTDFG NAEKTDRFVM DATA SEQUENCE KKLNDRVMRV EYHFLSPYVS PKESPFRHVF WGSGSHTLPA LLENLKLRKQ DATA SEQUENCE NNGAFNETLF RNQLALATWT IQGAANALSG DVWDIDNEF 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 0.000 176.704 176.870 -0.277 0.000 1.165 122 L CA 0.000 54.743 54.840 -0.162 0.000 0.813 122 L CB 0.000 42.018 42.059 -0.068 0.000 0.961 123 Y N -0.628 119.651 120.300 -0.035 0.000 2.519 123 Y HA 0.192 4.742 4.550 -0.000 0.000 0.324 123 Y C 1.002 176.815 175.900 -0.145 0.000 1.214 123 Y CA 0.028 58.104 58.100 -0.041 0.000 1.260 123 Y CB 1.182 39.660 38.460 0.030 0.000 1.311 123 Y HN 0.730 nan 8.280 nan 0.000 0.505 124 W N 1.917 123.105 121.300 -0.185 0.000 2.302 124 W HA -0.331 4.329 4.660 -0.000 0.000 0.320 124 W C 1.113 177.568 176.519 -0.106 0.000 1.241 124 W CA 2.545 59.746 57.345 -0.240 0.000 1.264 124 W CB -0.254 29.160 29.460 -0.078 0.000 1.154 124 W HN 0.913 nan 8.180 nan 0.000 0.483 125 D N 0.558 120.833 120.400 -0.207 0.000 2.133 125 D HA -0.298 4.341 4.640 -0.000 0.000 0.192 125 D C 1.591 177.681 176.300 -0.351 0.000 1.001 125 D CA 2.234 56.032 54.000 -0.337 0.000 0.844 125 D CB -1.239 39.498 40.800 -0.106 0.000 0.944 125 D HN 0.141 nan 8.370 nan 0.000 0.447 126 D N 0.225 120.505 120.400 -0.200 0.000 2.103 126 D HA -0.130 4.510 4.640 -0.000 0.000 0.190 126 D C 2.247 178.368 176.300 -0.299 0.000 0.997 126 D CA 0.797 54.687 54.000 -0.184 0.000 0.833 126 D CB -0.214 40.534 40.800 -0.087 0.000 0.961 126 D HN 0.157 nan 8.370 nan 0.000 0.447 127 L N 1.082 122.079 121.223 -0.376 0.000 2.083 127 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 127 L C 2.369 178.882 176.870 -0.594 0.000 1.083 127 L CA 1.270 55.824 54.840 -0.476 0.000 0.752 127 L CB -1.032 40.747 42.059 -0.467 0.000 0.899 127 L HN 0.093 nan 8.230 nan 0.000 0.433 128 K N 0.138 120.001 120.400 -0.895 0.000 2.002 128 K HA -0.191 4.128 4.320 -0.000 0.000 0.209 128 K C 2.299 178.602 176.600 -0.494 0.000 1.048 128 K CA 1.247 56.977 56.287 -0.929 0.000 0.930 128 K CB 0.048 31.773 32.500 -1.291 0.000 0.714 128 K HN 0.101 nan 8.250 nan 0.000 0.438 129 R N 0.620 120.876 120.500 -0.406 0.000 2.083 129 R HA -0.183 4.157 4.340 -0.000 0.000 0.237 129 R C 2.371 178.533 176.300 -0.230 0.000 1.137 129 R CA 1.892 57.836 56.100 -0.260 0.000 0.951 129 R CB -0.169 30.009 30.300 -0.204 0.000 0.851 129 R HN -0.003 nan 8.270 nan 0.000 0.434 130 K N 0.877 121.129 120.400 -0.247 0.000 1.978 130 K HA -0.172 4.148 4.320 -0.000 0.000 0.214 130 K C 1.878 178.340 176.600 -0.230 0.000 1.049 130 K CA 1.451 57.609 56.287 -0.214 0.000 0.939 130 K CB -0.797 31.571 32.500 -0.220 0.000 0.721 130 K HN 0.080 nan 8.250 nan 0.000 0.441 131 L N 0.690 121.739 121.223 -0.290 0.000 2.211 131 L HA -0.224 4.116 4.340 -0.000 0.000 0.216 131 L C 2.183 178.931 176.870 -0.204 0.000 1.092 131 L CA 2.209 56.880 54.840 -0.282 0.000 0.767 131 L CB -1.028 40.852 42.059 -0.298 0.000 0.894 131 L HN 0.358 nan 8.230 nan 0.000 0.437 132 S N -0.539 115.044 115.700 -0.195 0.000 2.335 132 S HA -0.204 4.266 4.470 -0.000 0.000 0.217 132 S C 1.906 176.423 174.600 -0.139 0.000 1.032 132 S CA 1.041 59.148 58.200 -0.154 0.000 0.985 132 S CB -0.384 62.724 63.200 -0.154 0.000 0.896 132 S HN 0.793 nan 8.310 nan 0.000 0.445 133 E N 0.708 120.825 120.200 -0.139 0.000 2.118 133 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 133 E C 1.833 178.359 176.600 -0.122 0.000 0.992 133 E CA 1.081 57.409 56.400 -0.121 0.000 0.804 133 E CB -0.260 29.374 29.700 -0.109 0.000 0.741 133 E HN 0.334 nan 8.360 nan 0.000 0.458 134 K N 0.471 120.791 120.400 -0.133 0.000 2.097 134 K HA -0.064 4.256 4.320 -0.000 0.000 0.206 134 K C 2.119 178.643 176.600 -0.128 0.000 1.049 134 K CA 0.629 56.839 56.287 -0.128 0.000 0.933 134 K CB -0.238 32.170 32.500 -0.153 0.000 0.717 134 K HN 0.239 nan 8.250 nan 0.000 0.442 135 L N 1.733 122.879 121.223 -0.127 0.000 2.291 135 L HA -0.101 4.239 4.340 -0.000 0.000 0.214 135 L C 1.324 178.076 176.870 -0.196 0.000 1.120 135 L CA 1.541 56.304 54.840 -0.129 0.000 0.799 135 L CB -0.919 41.097 42.059 -0.071 0.000 0.925 135 L HN 0.103 nan 8.230 nan 0.000 0.446 136 D N -0.746 119.558 120.400 -0.159 0.000 2.312 136 D HA -0.043 4.597 4.640 -0.000 0.000 0.211 136 D C 0.761 176.965 176.300 -0.160 0.000 0.964 136 D CA 0.584 54.492 54.000 -0.153 0.000 0.877 136 D CB 0.363 41.090 40.800 -0.121 0.000 0.924 136 D HN 0.086 nan 8.370 nan 0.000 0.515 137 S N -0.148 115.457 115.700 -0.159 0.000 2.272 137 S HA 0.247 4.716 4.470 -0.000 0.000 0.207 137 S C -0.300 174.207 174.600 -0.155 0.000 1.336 137 S CA -0.638 57.479 58.200 -0.139 0.000 1.259 137 S CB 0.763 63.905 63.200 -0.096 0.000 1.130 137 S HN 0.152 nan 8.310 nan 0.000 0.444 138 T N -1.438 112.963 114.554 -0.256 0.000 3.109 138 T HA 0.354 4.704 4.350 -0.000 0.000 0.311 138 T C -1.484 172.973 174.700 -0.404 0.000 1.011 138 T CA -0.749 61.186 62.100 -0.275 0.000 1.026 138 T CB 1.636 70.340 68.868 -0.273 0.000 1.047 138 T HN 0.035 nan 8.240 nan 0.000 0.448 139 D N 2.690 122.993 120.400 -0.162 0.000 2.422 139 D HA 0.255 4.895 4.640 -0.000 0.000 0.227 139 D C 0.243 176.590 176.300 0.079 0.000 1.190 139 D CA -0.618 53.328 54.000 -0.090 0.000 0.905 139 D CB 0.071 40.861 40.800 -0.015 0.000 1.034 139 D HN 0.625 nan 8.370 nan 0.000 0.507 140 F N 1.025 120.987 119.950 0.020 0.000 2.335 140 F HA -0.124 4.403 4.527 -0.000 0.000 0.296 140 F C 2.624 178.455 175.800 0.052 0.000 1.091 140 F CA 0.190 58.209 58.000 0.032 0.000 1.399 140 F CB 0.252 39.270 39.000 0.029 0.000 1.067 140 F HN 0.304 nan 8.300 nan 0.000 0.520 141 T N -0.686 114.015 114.554 0.245 0.000 2.788 141 T HA -0.168 4.181 4.350 -0.000 0.000 0.268 141 T C 2.141 176.904 174.700 0.105 0.000 1.044 141 T CA 1.855 64.092 62.100 0.229 0.000 1.139 141 T CB -0.256 68.742 68.868 0.216 0.000 0.867 141 T HN 0.145 nan 8.240 nan 0.000 0.454 142 S N 0.610 116.349 115.700 0.065 0.000 2.348 142 S HA -0.105 4.364 4.470 -0.000 0.000 0.221 142 S C 2.272 176.858 174.600 -0.023 0.000 1.033 142 S CA 1.887 60.083 58.200 -0.007 0.000 1.010 142 S CB -0.804 62.410 63.200 0.024 0.000 0.891 142 S HN 0.624 nan 8.310 nan 0.000 0.442 143 T N 2.578 117.167 114.554 0.059 0.000 2.833 143 T HA 0.063 4.413 4.350 -0.000 0.000 0.269 143 T C 1.682 176.397 174.700 0.026 0.000 1.054 143 T CA 0.915 63.055 62.100 0.067 0.000 1.135 143 T CB -0.391 68.548 68.868 0.119 0.000 0.869 143 T HN 0.332 nan 8.240 nan 0.000 0.466 144 I N 0.744 121.338 120.570 0.039 0.000 2.493 144 I HA -0.109 4.061 4.170 -0.000 0.000 0.254 144 I C 2.577 178.651 176.117 -0.073 0.000 1.160 144 I CA 1.083 62.421 61.300 0.062 0.000 1.445 144 I CB -0.292 37.836 38.000 0.212 0.000 1.086 144 I HN 0.190 nan 8.210 nan 0.000 0.433 145 K N 1.695 121.881 120.400 -0.356 0.000 2.044 145 K HA -0.112 4.207 4.320 -0.000 0.000 0.204 145 K C 2.306 178.771 176.600 -0.225 0.000 1.045 145 K CA 0.818 56.722 56.287 -0.638 0.000 0.951 145 K CB -0.102 31.875 32.500 -0.872 0.000 0.738 145 K HN 0.216 nan 8.250 nan 0.000 0.443 146 L N 1.709 122.855 121.223 -0.129 0.000 2.051 146 L HA -0.160 4.179 4.340 -0.000 0.000 0.214 146 L C 1.410 178.313 176.870 0.056 0.000 1.076 146 L CA 1.329 56.151 54.840 -0.030 0.000 0.758 146 L CB -0.142 41.913 42.059 -0.007 0.000 0.890 146 L HN 0.233 nan 8.230 nan 0.000 0.433 147 L N 0.630 121.858 121.223 0.009 0.000 2.873 147 L HA 0.013 4.353 4.340 -0.000 0.000 0.252 147 L C 0.998 177.919 176.870 0.085 0.000 1.266 147 L CA 0.081 54.923 54.840 0.003 0.000 1.111 147 L CB -0.736 41.295 42.059 -0.045 0.000 1.440 147 L HN 0.391 nan 8.230 nan 0.000 0.427 148 N N -0.739 118.022 118.700 0.101 0.000 2.008 148 N HA 0.051 4.790 4.740 -0.000 0.000 0.228 148 N C 0.144 175.688 175.510 0.057 0.000 1.375 148 N CA -0.026 53.075 53.050 0.086 0.000 0.856 148 N CB 1.148 39.675 38.487 0.067 0.000 1.096 148 N HN 0.387 nan 8.380 nan 0.000 0.489 149 E N 0.947 121.169 120.200 0.036 0.000 2.436 149 E HA -0.014 4.336 4.350 -0.000 0.000 0.262 149 E C 0.399 176.938 176.600 -0.102 0.000 1.063 149 E CA 0.083 56.449 56.400 -0.057 0.000 0.944 149 E CB 0.539 30.166 29.700 -0.122 0.000 0.950 149 E HN 0.082 nan 8.360 nan 0.000 0.444 150 N N 0.602 119.231 118.700 -0.118 0.000 2.503 150 N HA -0.128 4.612 4.740 -0.000 0.000 0.189 150 N C 1.043 176.426 175.510 -0.211 0.000 1.048 150 N CA 0.684 53.660 53.050 -0.123 0.000 0.905 150 N CB 0.088 38.514 38.487 -0.102 0.000 0.951 150 N HN 0.236 nan 8.380 nan 0.000 0.446 151 S N -0.492 114.970 115.700 -0.397 0.000 2.399 151 S HA -0.119 4.350 4.470 -0.000 0.000 0.231 151 S C -0.196 174.012 174.600 -0.654 0.000 1.022 151 S CA 1.058 58.853 58.200 -0.675 0.000 0.983 151 S CB -0.187 62.312 63.200 -1.168 0.000 0.803 151 S HN 0.550 nan 8.310 nan 0.000 0.480 152 Y N -1.285 118.971 120.300 -0.074 0.000 2.640 152 Y HA 0.598 5.148 4.550 -0.000 0.000 0.295 152 Y C 0.264 176.139 175.900 -0.041 0.000 1.023 152 Y CA -1.028 57.039 58.100 -0.055 0.000 1.163 152 Y CB -0.639 37.789 38.460 -0.053 0.000 1.145 152 Y HN -0.068 nan 8.280 nan 0.000 0.609 153 V N 1.138 121.095 119.914 0.071 0.000 2.502 153 V HA 0.365 4.485 4.120 -0.000 0.000 0.234 153 V C -1.906 174.193 176.094 0.009 0.000 1.072 153 V CA -0.286 62.040 62.300 0.044 0.000 1.094 153 V CB 0.257 32.083 31.823 0.005 0.000 0.761 153 V HN 0.247 nan 8.190 nan 0.000 0.489 154 P HA 0.210 nan 4.420 nan 0.000 0.225 154 P C -0.726 176.549 177.300 -0.042 0.000 1.813 154 P CA -0.177 62.873 63.100 -0.082 0.000 1.013 154 P CB -0.820 30.798 31.700 -0.136 0.000 1.961 155 R N 0.168 120.674 120.500 0.010 0.000 4.559 155 R HA 0.139 4.479 4.340 -0.000 0.000 0.177 155 R C 0.247 176.574 176.300 0.044 0.000 1.875 155 R CA -0.250 55.874 56.100 0.040 0.000 1.509 155 R CB -0.379 29.961 30.300 0.066 0.000 1.395 155 R HN 0.302 nan 8.270 nan 0.000 0.830 156 E N 1.500 121.714 120.200 0.023 0.000 2.428 156 E HA 0.112 4.462 4.350 -0.000 0.000 0.257 156 E C -0.326 176.341 176.600 0.111 0.000 1.197 156 E CA -0.042 56.399 56.400 0.068 0.000 0.974 156 E CB 0.629 30.358 29.700 0.048 0.000 0.976 156 E HN 0.618 nan 8.360 nan 0.000 0.463 157 A N 1.221 124.159 122.820 0.197 0.000 2.520 157 A HA 0.368 4.688 4.320 -0.000 0.000 0.245 157 A C 0.997 178.616 177.584 0.059 0.000 1.072 157 A CA 0.622 52.758 52.037 0.164 0.000 0.761 157 A CB -0.424 18.732 19.000 0.260 0.000 1.004 157 A HN 0.903 nan 8.150 nan 0.000 0.499 158 G N 1.948 110.768 108.800 0.033 0.000 2.203 158 G HA2 -0.179 3.780 3.960 -0.000 0.000 0.263 158 G HA3 -0.179 3.780 3.960 -0.000 0.000 0.263 158 G C 0.547 175.453 174.900 0.009 0.000 1.012 158 G CA 1.063 46.164 45.100 0.002 0.000 0.749 158 G HN 2.079 nan 8.290 nan 0.000 0.512 159 S N -1.872 113.842 115.700 0.023 0.000 2.694 159 S HA 0.646 5.116 4.470 -0.000 0.000 0.278 159 S C 1.229 175.839 174.600 0.016 0.000 1.152 159 S CA 0.536 58.746 58.200 0.017 0.000 1.010 159 S CB 1.663 64.873 63.200 0.016 0.000 1.104 159 S HN 0.395 nan 8.310 nan 0.000 0.547 160 Q N 0.823 120.629 119.800 0.010 0.000 2.049 160 Q HA 0.006 4.345 4.340 -0.000 0.000 0.198 160 Q C 1.746 177.762 176.000 0.028 0.000 0.971 160 Q CA 1.661 57.471 55.803 0.012 0.000 0.833 160 Q CB -0.381 28.357 28.738 -0.000 0.000 0.896 160 Q HN 0.655 nan 8.270 nan 0.000 0.434 161 K N 1.225 121.642 120.400 0.029 0.000 2.044 161 K HA -0.195 4.124 4.320 -0.000 0.000 0.210 161 K C 1.824 178.484 176.600 0.099 0.000 1.049 161 K CA 1.564 57.892 56.287 0.068 0.000 0.927 161 K CB -0.930 31.603 32.500 0.054 0.000 0.713 161 K HN 0.441 nan 8.250 nan 0.000 0.443 162 D N 1.391 121.828 120.400 0.062 0.000 2.137 162 D HA -0.236 4.404 4.640 -0.000 0.000 0.189 162 D C 1.805 178.129 176.300 0.039 0.000 0.998 162 D CA 1.498 55.527 54.000 0.049 0.000 0.839 162 D CB -0.062 40.763 40.800 0.042 0.000 0.962 162 D HN 0.347 nan 8.370 nan 0.000 0.446 163 E N -0.444 119.776 120.200 0.034 0.000 2.209 163 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 163 E C 1.923 178.551 176.600 0.046 0.000 0.993 163 E CA 0.733 57.149 56.400 0.025 0.000 0.819 163 E CB 0.101 29.813 29.700 0.019 0.000 0.745 163 E HN 0.299 nan 8.360 nan 0.000 0.477 164 N N 0.553 119.306 118.700 0.088 0.000 2.062 164 N HA -0.161 4.578 4.740 -0.000 0.000 0.191 164 N C 1.892 177.517 175.510 0.192 0.000 1.042 164 N CA 0.747 53.891 53.050 0.157 0.000 0.845 164 N CB -0.497 38.119 38.487 0.214 0.000 1.024 164 N HN 0.169 nan 8.380 nan 0.000 0.424 165 L N 1.639 122.947 121.223 0.142 0.000 2.079 165 L HA -0.041 4.299 4.340 -0.000 0.000 0.210 165 L C 2.147 178.972 176.870 -0.075 0.000 1.081 165 L CA 1.441 56.207 54.840 -0.123 0.000 0.752 165 L CB -1.084 40.817 42.059 -0.263 0.000 0.896 165 L HN 0.136 nan 8.230 nan 0.000 0.433 166 A N -0.256 122.530 122.820 -0.055 0.000 1.873 166 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 166 A C 2.238 179.758 177.584 -0.106 0.000 1.193 166 A CA 2.246 54.224 52.037 -0.097 0.000 0.629 166 A CB -1.005 17.962 19.000 -0.056 0.000 0.826 166 A HN 0.518 nan 8.150 nan 0.000 0.447 167 L N -2.052 119.152 121.223 -0.031 0.000 2.275 167 L HA -0.144 4.196 4.340 -0.000 0.000 0.215 167 L C 2.567 179.425 176.870 -0.021 0.000 1.119 167 L CA 1.314 56.141 54.840 -0.022 0.000 0.790 167 L CB -0.660 41.413 42.059 0.024 0.000 0.919 167 L HN 0.602 nan 8.230 nan 0.000 0.443 168 Y N 0.890 121.104 120.300 -0.144 0.000 2.163 168 Y HA -0.166 4.384 4.550 -0.000 0.000 0.288 168 Y C 2.375 178.092 175.900 -0.306 0.000 1.136 168 Y CA 1.295 59.287 58.100 -0.180 0.000 1.147 168 Y CB -0.505 37.838 38.460 -0.195 0.000 0.987 168 Y HN -0.165 nan 8.280 nan 0.000 0.509 169 V N 0.986 120.562 119.914 -0.564 0.000 2.295 169 V HA -0.314 3.806 4.120 -0.000 0.000 0.246 169 V C 2.415 177.949 176.094 -0.934 0.000 1.049 169 V CA 2.283 64.046 62.300 -0.896 0.000 1.024 169 V CB -0.845 30.515 31.823 -0.773 0.000 0.648 169 V HN 0.473 nan 8.190 nan 0.000 0.447 170 E N 0.306 120.186 120.200 -0.533 0.000 2.070 170 E HA -0.314 4.035 4.350 -0.000 0.000 0.197 170 E C 2.244 178.712 176.600 -0.220 0.000 1.004 170 E CA 1.824 58.048 56.400 -0.293 0.000 0.805 170 E CB -0.220 29.403 29.700 -0.128 0.000 0.744 170 E HN 0.608 nan 8.360 nan 0.000 0.451 171 N N 0.040 118.597 118.700 -0.238 0.000 2.106 171 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 171 N C 1.735 177.052 175.510 -0.322 0.000 1.029 171 N CA 0.991 53.928 53.050 -0.187 0.000 0.848 171 N CB -0.033 38.386 38.487 -0.114 0.000 1.007 171 N HN 0.178 nan 8.380 nan 0.000 0.423 172 E N 0.520 120.375 120.200 -0.575 0.000 2.114 172 E HA -0.187 4.162 4.350 -0.000 0.000 0.199 172 E C 1.996 178.061 176.600 -0.890 0.000 1.008 172 E CA 0.854 56.710 56.400 -0.907 0.000 0.810 172 E CB -0.593 28.453 29.700 -1.091 0.000 0.739 172 E HN 0.518 nan 8.360 nan 0.000 0.456 173 F N 0.706 120.406 119.950 -0.415 0.000 2.102 173 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 173 F C 2.758 178.527 175.800 -0.052 0.000 1.105 173 F CA 0.676 58.645 58.000 -0.052 0.000 1.239 173 F CB -0.094 38.890 39.000 -0.027 0.000 0.991 173 F HN -0.006 nan 8.300 nan 0.000 0.474 174 R N 0.264 120.818 120.500 0.090 0.000 2.073 174 R HA -0.208 4.132 4.340 -0.000 0.000 0.234 174 R C 2.037 178.340 176.300 0.005 0.000 1.134 174 R CA 1.689 57.825 56.100 0.060 0.000 0.952 174 R CB -0.573 29.742 30.300 0.026 0.000 0.850 174 R HN 0.340 nan 8.270 nan 0.000 0.433 175 E N 0.170 120.291 120.200 -0.132 0.000 2.110 175 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 175 E C 1.203 177.773 176.600 -0.050 0.000 0.988 175 E CA 0.947 57.258 56.400 -0.148 0.000 0.804 175 E CB 0.024 29.553 29.700 -0.285 0.000 0.745 175 E HN 0.188 nan 8.360 nan 0.000 0.458 176 F N 0.820 120.796 119.950 0.044 0.000 2.664 176 F HA 0.014 4.541 4.527 -0.000 0.000 0.297 176 F C 1.441 177.268 175.800 0.045 0.000 1.164 176 F CA 1.030 59.053 58.000 0.039 0.000 1.472 176 F CB -0.379 38.643 39.000 0.037 0.000 1.108 176 F HN -0.006 nan 8.300 nan 0.000 0.596 177 K N -0.188 120.331 120.400 0.199 0.000 3.274 177 K HA -0.235 4.085 4.320 -0.000 0.000 0.300 177 K C -0.193 176.496 176.600 0.149 0.000 1.230 177 K CA 0.461 56.834 56.287 0.144 0.000 0.884 177 K CB -1.623 30.951 32.500 0.123 0.000 1.242 177 K HN 0.293 nan 8.250 nan 0.000 0.467 178 L N -1.856 119.473 121.223 0.176 0.000 2.472 178 L HA 0.392 4.731 4.340 -0.000 0.000 0.260 178 L C 1.182 178.137 176.870 0.142 0.000 1.209 178 L CA 0.024 54.954 54.840 0.150 0.000 0.817 178 L CB 0.436 42.570 42.059 0.125 0.000 1.106 178 L HN 0.051 nan 8.230 nan 0.000 0.479 179 S N -0.442 115.342 115.700 0.141 0.000 2.629 179 S HA 0.146 4.616 4.470 -0.000 0.000 0.250 179 S C 0.325 175.036 174.600 0.185 0.000 1.318 179 S CA -0.209 58.074 58.200 0.138 0.000 0.970 179 S CB 0.056 63.330 63.200 0.123 0.000 0.996 179 S HN 0.657 nan 8.310 nan 0.000 0.563 180 K N 0.076 120.595 120.400 0.198 0.000 2.604 180 K HA 0.100 4.420 4.320 -0.000 0.000 0.278 180 K C -0.522 176.345 176.600 0.446 0.000 0.975 180 K CA 0.683 57.135 56.287 0.276 0.000 1.066 180 K CB -0.260 32.366 32.500 0.210 0.000 0.840 180 K HN 0.418 nan 8.250 nan 0.000 0.491 181 V N 4.251 124.461 119.914 0.493 0.000 2.752 181 V HA 0.801 4.921 4.120 -0.000 0.000 0.302 181 V C -1.908 174.511 176.094 0.542 0.000 1.133 181 V CA -0.504 62.063 62.300 0.446 0.000 0.919 181 V CB 0.663 32.648 31.823 0.270 0.000 1.026 181 V HN 0.881 nan 8.190 nan 0.000 0.429 182 W N 4.908 126.322 121.300 0.190 0.000 3.274 182 W HA 0.884 5.544 4.660 -0.000 0.000 0.353 182 W C -0.867 175.776 176.519 0.206 0.000 1.147 182 W CA -1.272 56.170 57.345 0.161 0.000 1.054 182 W CB 1.032 30.561 29.460 0.115 0.000 1.510 182 W HN 0.566 nan 8.180 nan 0.000 0.602 183 R N 0.455 121.150 120.500 0.326 0.000 2.832 183 R HA 0.440 4.780 4.340 -0.000 0.000 0.271 183 R C -1.770 174.717 176.300 0.313 0.000 0.996 183 R CA -0.881 55.335 56.100 0.194 0.000 0.977 183 R CB 1.792 32.180 30.300 0.146 0.000 1.168 183 R HN 0.474 nan 8.270 nan 0.000 0.482 184 D N 0.855 121.411 120.400 0.260 0.000 2.473 184 D HA 0.090 4.730 4.640 -0.000 0.000 0.253 184 D C -1.243 175.125 176.300 0.112 0.000 1.233 184 D CA -0.409 53.770 54.000 0.298 0.000 0.908 184 D CB 1.297 42.444 40.800 0.578 0.000 1.170 184 D HN 0.304 nan 8.370 nan 0.000 0.558 185 Q N 2.503 122.277 119.800 -0.043 0.000 2.260 185 Q HA 0.417 4.757 4.340 -0.000 0.000 0.242 185 Q C -0.967 174.804 176.000 -0.381 0.000 0.932 185 Q CA -0.435 55.295 55.803 -0.121 0.000 0.891 185 Q CB 0.779 29.499 28.738 -0.029 0.000 1.222 185 Q HN 0.547 nan 8.270 nan 0.000 0.453 186 H N 1.946 120.995 119.070 -0.034 0.000 3.112 186 H HA 0.254 4.809 4.556 -0.000 0.000 0.347 186 H C -1.632 173.604 175.328 -0.154 0.000 1.188 186 H CA -0.474 55.589 56.048 0.026 0.000 1.240 186 H CB 0.786 30.599 29.762 0.085 0.000 1.920 186 H HN 0.601 nan 8.280 nan 0.000 0.535 187 F N 2.354 122.450 119.950 0.243 0.000 2.443 187 F HA 0.294 4.820 4.527 -0.000 0.000 0.369 187 F C 0.458 176.363 175.800 0.176 0.000 1.090 187 F CA -0.759 57.350 58.000 0.182 0.000 1.129 187 F CB 1.174 40.278 39.000 0.173 0.000 1.367 187 F HN 0.203 nan 8.300 nan 0.000 0.465 188 V N -0.176 119.879 119.914 0.234 0.000 2.850 188 V HA 0.591 4.710 4.120 -0.000 0.000 0.315 188 V C -0.313 175.894 176.094 0.189 0.000 1.064 188 V CA -1.154 61.266 62.300 0.201 0.000 0.979 188 V CB 1.858 33.751 31.823 0.115 0.000 1.039 188 V HN 0.483 nan 8.190 nan 0.000 0.452 189 K N 3.129 123.683 120.400 0.255 0.000 2.285 189 K HA 0.526 4.846 4.320 -0.000 0.000 0.286 189 K C -1.079 175.643 176.600 0.203 0.000 1.072 189 K CA -0.354 56.080 56.287 0.245 0.000 0.913 189 K CB 1.294 33.970 32.500 0.294 0.000 1.067 189 K HN 0.560 nan 8.250 nan 0.000 0.479 190 I N 1.948 122.499 120.570 -0.031 0.000 2.822 190 I HA 0.144 4.313 4.170 -0.000 0.000 0.312 190 I C -0.006 175.998 176.117 -0.188 0.000 1.011 190 I CA -0.496 60.603 61.300 -0.335 0.000 1.105 190 I CB 1.801 39.392 38.000 -0.682 0.000 1.291 190 I HN 0.498 nan 8.210 nan 0.000 0.474 191 Q N 3.989 123.663 119.800 -0.211 0.000 2.312 191 Q HA 0.767 5.106 4.340 -0.000 0.000 0.263 191 Q C -1.655 174.502 176.000 0.262 0.000 0.995 191 Q CA -0.684 55.123 55.803 0.006 0.000 0.853 191 Q CB 1.876 30.575 28.738 -0.065 0.000 1.300 191 Q HN 0.555 nan 8.270 nan 0.000 0.448 192 V N -0.064 119.923 119.914 0.121 0.000 3.141 192 V HA 0.567 4.687 4.120 -0.000 0.000 0.312 192 V C -0.752 175.182 176.094 -0.266 0.000 1.157 192 V CA -1.322 60.950 62.300 -0.047 0.000 1.041 192 V CB 1.695 33.504 31.823 -0.023 0.000 1.071 192 V HN 0.824 nan 8.190 nan 0.000 0.441 193 K N 1.517 121.586 120.400 -0.552 0.000 2.383 193 K HA 0.161 4.480 4.320 -0.000 0.000 0.286 193 K C -0.287 176.213 176.600 -0.165 0.000 1.051 193 K CA -0.014 56.038 56.287 -0.392 0.000 0.974 193 K CB 0.295 32.550 32.500 -0.408 0.000 0.968 193 K HN 0.970 nan 8.250 nan 0.000 0.475 194 D N 1.918 122.261 120.400 -0.095 0.000 2.357 194 D HA -0.044 4.596 4.640 -0.000 0.000 0.242 194 D C 1.071 177.346 176.300 -0.042 0.000 1.153 194 D CA 0.213 54.183 54.000 -0.050 0.000 0.918 194 D CB 1.078 41.864 40.800 -0.023 0.000 1.181 194 D HN 0.478 nan 8.370 nan 0.000 0.435 195 S N 1.738 117.420 115.700 -0.030 0.000 2.407 195 S HA -0.176 4.293 4.470 -0.000 0.000 0.235 195 S C 1.091 175.681 174.600 -0.017 0.000 1.036 195 S CA 0.596 58.782 58.200 -0.023 0.000 1.013 195 S CB -0.649 62.541 63.200 -0.018 0.000 0.820 195 S HN 0.638 nan 8.310 nan 0.000 0.476 196 A N 2.261 125.073 122.820 -0.014 0.000 2.440 196 A HA 0.390 4.710 4.320 -0.000 0.000 0.251 196 A C 0.412 177.992 177.584 -0.007 0.000 1.089 196 A CA -0.402 51.631 52.037 -0.007 0.000 0.779 196 A CB 0.184 19.183 19.000 -0.003 0.000 1.022 196 A HN 0.320 nan 8.150 nan 0.000 0.492 197 Q N 1.838 121.637 119.800 -0.002 0.000 2.314 197 Q HA 0.118 4.458 4.340 -0.000 0.000 0.258 197 Q C -0.313 175.694 176.000 0.010 0.000 0.954 197 Q CA 0.113 55.918 55.803 0.004 0.000 0.890 197 Q CB 0.659 29.400 28.738 0.006 0.000 1.210 197 Q HN 0.763 nan 8.270 nan 0.000 0.410 198 N N 0.999 119.709 118.700 0.017 0.000 2.529 198 N HA 0.281 5.021 4.740 -0.000 0.000 0.278 198 N C -0.476 175.052 175.510 0.029 0.000 1.146 198 N CA 0.072 53.139 53.050 0.027 0.000 0.980 198 N CB 1.175 39.686 38.487 0.040 0.000 1.124 198 N HN 0.571 nan 8.380 nan 0.000 0.458 199 S N -1.264 114.453 115.700 0.028 0.000 2.567 199 S HA 0.477 4.946 4.470 -0.000 0.000 0.270 199 S C -0.886 173.731 174.600 0.028 0.000 1.152 199 S CA -0.991 57.225 58.200 0.027 0.000 0.835 199 S CB 0.958 64.168 63.200 0.017 0.000 1.115 199 S HN 0.280 nan 8.310 nan 0.000 0.459 200 V N -0.083 119.849 119.914 0.031 0.000 2.448 200 V HA 0.936 5.056 4.120 -0.000 0.000 0.295 200 V C -0.726 175.388 176.094 0.033 0.000 1.025 200 V CA -0.667 61.651 62.300 0.031 0.000 0.859 200 V CB 0.849 32.690 31.823 0.030 0.000 0.988 200 V HN 1.082 nan 8.190 nan 0.000 0.431 201 I N 4.936 125.523 120.570 0.027 0.000 2.571 201 I HA 0.590 4.760 4.170 -0.000 0.000 0.289 201 I C -0.549 175.585 176.117 0.029 0.000 1.115 201 I CA -0.883 60.431 61.300 0.024 0.000 1.045 201 I CB 1.787 39.788 38.000 0.002 0.000 1.238 201 I HN 0.713 nan 8.210 nan 0.000 0.424 202 I N 7.751 128.345 120.570 0.040 0.000 2.496 202 I HA 0.486 4.656 4.170 -0.000 0.000 0.285 202 I C -0.146 175.989 176.117 0.030 0.000 1.080 202 I CA -0.314 61.010 61.300 0.039 0.000 1.404 202 I CB 0.984 39.015 38.000 0.051 0.000 1.403 202 I HN 0.537 nan 8.210 nan 0.000 0.539 203 V N 4.889 124.820 119.914 0.028 0.000 3.167 203 V HA 0.455 4.575 4.120 -0.000 0.000 0.293 203 V C -1.605 174.503 176.094 0.024 0.000 1.379 203 V CA -0.563 61.750 62.300 0.022 0.000 1.019 203 V CB 2.349 34.181 31.823 0.016 0.000 1.115 203 V HN 0.801 nan 8.190 nan 0.000 0.442 204 D N 2.038 122.451 120.400 0.022 0.000 2.549 204 D HA 0.503 5.143 4.640 -0.000 0.000 0.270 204 D C 0.691 177.002 176.300 0.019 0.000 1.181 204 D CA -0.466 53.547 54.000 0.022 0.000 1.070 204 D CB 1.823 42.635 40.800 0.021 0.000 1.154 204 D HN 0.606 nan 8.370 nan 0.000 0.602 205 K N 0.047 120.458 120.400 0.019 0.000 2.589 205 K HA 0.033 4.353 4.320 -0.000 0.000 0.195 205 K C -0.357 176.252 176.600 0.014 0.000 1.040 205 K CA 0.635 56.932 56.287 0.017 0.000 0.950 205 K CB -0.767 31.744 32.500 0.017 0.000 0.781 205 K HN 0.299 nan 8.250 nan 0.000 0.486 206 N N -0.368 118.341 118.700 0.014 0.000 2.397 206 N HA 0.402 5.141 4.740 -0.000 0.000 0.291 206 N C 0.007 175.523 175.510 0.010 0.000 1.065 206 N CA -0.117 52.940 53.050 0.011 0.000 0.884 206 N CB 1.302 39.795 38.487 0.011 0.000 1.551 206 N HN 0.084 nan 8.380 nan 0.000 0.487 207 G N 2.114 110.918 108.800 0.007 0.000 2.939 207 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.278 207 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.278 207 G C 0.176 175.078 174.900 0.004 0.000 1.487 207 G CA -0.245 44.858 45.100 0.004 0.000 0.935 207 G HN 0.964 nan 8.290 nan 0.000 0.553 208 R N 0.575 121.074 120.500 -0.002 0.000 4.031 208 R HA 0.324 4.664 4.340 -0.000 0.000 0.269 208 R C 0.808 177.104 176.300 -0.007 0.000 1.668 208 R CA -0.610 55.487 56.100 -0.006 0.000 1.432 208 R CB -0.719 29.571 30.300 -0.017 0.000 1.374 208 R HN 0.716 nan 8.270 nan 0.000 0.681 209 L N 0.752 121.977 121.223 0.003 0.000 2.453 209 L HA -0.082 4.258 4.340 -0.000 0.000 0.283 209 L C 0.963 177.841 176.870 0.014 0.000 1.284 209 L CA 0.987 55.831 54.840 0.008 0.000 0.822 209 L CB 0.273 42.342 42.059 0.016 0.000 1.081 209 L HN 0.278 nan 8.230 nan 0.000 0.562 210 V N 1.407 121.337 119.914 0.026 0.000 3.871 210 V HA -0.357 3.763 4.120 -0.000 0.000 0.514 210 V C -0.257 175.871 176.094 0.057 0.000 1.344 210 V CA 0.834 63.168 62.300 0.056 0.000 2.165 210 V CB -0.405 31.461 31.823 0.072 0.000 2.319 210 V HN 0.938 nan 8.190 nan 0.000 0.524 211 Y N 2.826 123.126 120.300 -0.001 0.000 3.036 211 Y HA -0.018 4.532 4.550 -0.000 0.000 0.354 211 Y C 0.637 176.534 175.900 -0.005 0.000 1.267 211 Y CA 1.302 59.400 58.100 -0.004 0.000 1.606 211 Y CB 0.171 38.626 38.460 -0.009 0.000 1.164 211 Y HN 0.688 nan 8.280 nan 0.000 0.587 212 L N 7.690 128.621 121.223 -0.488 0.000 2.462 212 L HA 0.105 4.445 4.340 -0.000 0.000 0.283 212 L C 0.680 177.484 176.870 -0.110 0.000 1.166 212 L CA -0.533 54.161 54.840 -0.242 0.000 0.964 212 L CB -0.147 41.747 42.059 -0.275 0.000 1.294 212 L HN 0.785 nan 8.230 nan 0.000 0.449 213 V N 2.987 123.023 119.914 0.204 0.000 2.233 213 V HA -0.285 3.835 4.120 -0.000 0.000 0.256 213 V C 0.970 177.250 176.094 0.309 0.000 1.069 213 V CA 2.183 64.700 62.300 0.363 0.000 1.054 213 V CB -0.838 31.066 31.823 0.136 0.000 0.664 213 V HN 0.966 nan 8.190 nan 0.000 0.453 214 E N -1.458 118.830 120.200 0.148 0.000 2.389 214 E HA 0.192 4.542 4.350 -0.000 0.000 0.281 214 E C -1.585 175.056 176.600 0.067 0.000 1.072 214 E CA -0.637 55.834 56.400 0.118 0.000 0.845 214 E CB 1.062 30.821 29.700 0.097 0.000 1.239 214 E HN 0.284 nan 8.360 nan 0.000 0.434 215 N N 3.842 122.579 118.700 0.062 0.000 3.091 215 N HA 0.287 5.026 4.740 -0.000 0.000 0.255 215 N C -2.641 172.905 175.510 0.060 0.000 1.204 215 N CA -1.294 51.784 53.050 0.047 0.000 0.990 215 N CB 1.052 39.560 38.487 0.036 0.000 1.260 215 N HN 0.253 nan 8.380 nan 0.000 0.502 216 P HA -0.111 nan 4.420 nan 0.000 0.264 216 P C 1.119 178.478 177.300 0.098 0.000 1.156 216 P CA 0.460 63.601 63.100 0.068 0.000 0.756 216 P CB 0.720 32.446 31.700 0.045 0.000 0.764 217 G N 2.562 111.442 108.800 0.133 0.000 2.494 217 G HA2 0.154 4.114 3.960 -0.000 0.000 0.216 217 G HA3 0.154 4.114 3.960 -0.000 0.000 0.216 217 G C 0.741 175.835 174.900 0.323 0.000 1.140 217 G CA 0.684 45.902 45.100 0.197 0.000 0.801 217 G HN 0.692 nan 8.290 nan 0.000 0.536 218 G N -1.197 107.759 108.800 0.261 0.000 2.938 218 G HA2 0.645 4.605 3.960 -0.000 0.000 0.258 218 G HA3 0.645 4.605 3.960 -0.000 0.000 0.258 218 G C -1.026 173.999 174.900 0.207 0.000 1.356 218 G CA -0.771 44.469 45.100 0.235 0.000 1.052 218 G HN 0.587 nan 8.290 nan 0.000 0.550 219 Y N -3.613 116.569 120.300 -0.198 0.000 2.713 219 Y HA 0.623 5.173 4.550 -0.000 0.000 0.335 219 Y C -1.404 174.331 175.900 -0.274 0.000 1.222 219 Y CA -1.550 56.458 58.100 -0.153 0.000 1.061 219 Y CB 1.369 39.817 38.460 -0.019 0.000 1.314 219 Y HN 0.407 nan 8.280 nan 0.000 0.453 220 V N 2.965 122.658 119.914 -0.368 0.000 2.328 220 V HA 0.670 4.789 4.120 -0.000 0.000 0.278 220 V C 0.666 176.528 176.094 -0.387 0.000 1.021 220 V CA -0.283 61.690 62.300 -0.546 0.000 0.838 220 V CB 0.324 31.993 31.823 -0.257 0.000 0.999 220 V HN 1.009 nan 8.190 nan 0.000 0.447 221 A N 3.766 126.217 122.820 -0.615 0.000 2.455 221 A HA 0.344 4.664 4.320 -0.000 0.000 0.244 221 A C 0.581 178.173 177.584 0.012 0.000 1.099 221 A CA 0.261 52.146 52.037 -0.253 0.000 0.786 221 A CB -0.533 18.273 19.000 -0.323 0.000 1.051 221 A HN 1.084 nan 8.150 nan 0.000 0.508 222 Y N -0.840 119.547 120.300 0.147 0.000 4.317 222 Y HA -0.236 4.313 4.550 -0.000 0.000 0.212 222 Y C 1.276 177.236 175.900 0.100 0.000 1.080 222 Y CA 0.958 59.131 58.100 0.122 0.000 1.735 222 Y CB -1.908 36.601 38.460 0.080 0.000 1.567 222 Y HN 0.685 nan 8.280 nan 0.000 0.619 223 S N 0.761 116.570 115.700 0.182 0.000 2.576 223 S HA 0.305 4.775 4.470 -0.000 0.000 0.276 223 S C 0.273 174.956 174.600 0.139 0.000 1.339 223 S CA -0.801 57.483 58.200 0.141 0.000 1.039 223 S CB 0.804 64.065 63.200 0.102 0.000 0.902 223 S HN 0.279 nan 8.310 nan 0.000 0.516 224 K N 3.094 123.566 120.400 0.119 0.000 2.484 224 K HA 0.250 4.570 4.320 -0.000 0.000 0.280 224 K C -0.244 176.411 176.600 0.092 0.000 1.013 224 K CA 0.539 56.889 56.287 0.104 0.000 1.029 224 K CB 0.080 32.632 32.500 0.087 0.000 0.902 224 K HN 0.595 nan 8.250 nan 0.000 0.481 225 A N 3.790 126.662 122.820 0.087 0.000 2.527 225 A HA 0.592 4.912 4.320 -0.000 0.000 0.313 225 A C -0.340 177.278 177.584 0.057 0.000 1.410 225 A CA 0.302 52.382 52.037 0.071 0.000 1.060 225 A CB -0.690 18.350 19.000 0.067 0.000 1.137 225 A HN 0.928 nan 8.150 nan 0.000 0.542 226 A N 1.419 124.271 122.820 0.054 0.000 2.493 226 A HA 0.891 5.211 4.320 -0.000 0.000 0.300 226 A C -0.426 177.183 177.584 0.042 0.000 1.152 226 A CA 0.087 52.151 52.037 0.045 0.000 0.643 226 A CB 0.791 19.819 19.000 0.046 0.000 1.316 226 A HN 1.417 nan 8.150 nan 0.000 0.469 227 T N -0.158 114.418 114.554 0.037 0.000 3.237 227 T HA 0.622 4.971 4.350 -0.000 0.000 0.319 227 T C -1.285 173.434 174.700 0.032 0.000 1.037 227 T CA 0.256 62.376 62.100 0.034 0.000 1.048 227 T CB 0.462 69.347 68.868 0.028 0.000 1.081 227 T HN 2.179 nan 8.240 nan 0.000 0.455 228 V N 1.495 121.430 119.914 0.035 0.000 3.159 228 V HA 0.997 5.117 4.120 -0.000 0.000 0.308 228 V C -0.490 175.624 176.094 0.034 0.000 1.190 228 V CA -0.758 61.562 62.300 0.034 0.000 1.037 228 V CB 1.572 33.417 31.823 0.037 0.000 1.060 228 V HN 0.926 nan 8.190 nan 0.000 0.437 229 T N -0.059 114.515 114.554 0.033 0.000 2.903 229 T HA 0.952 5.301 4.350 -0.000 0.000 0.299 229 T C -0.207 174.515 174.700 0.036 0.000 1.093 229 T CA 0.482 62.602 62.100 0.034 0.000 1.002 229 T CB 1.394 70.279 68.868 0.029 0.000 1.127 229 T HN 2.378 nan 8.240 nan 0.000 0.488 230 G N 2.120 110.943 108.800 0.039 0.000 2.336 230 G HA2 0.329 4.289 3.960 -0.000 0.000 0.286 230 G HA3 0.329 4.289 3.960 -0.000 0.000 0.286 230 G C -1.481 173.447 174.900 0.048 0.000 1.269 230 G CA -0.907 44.218 45.100 0.041 0.000 0.873 230 G HN 0.830 nan 8.290 nan 0.000 0.494 231 K N -0.795 119.635 120.400 0.050 0.000 2.286 231 K HA 0.388 4.708 4.320 -0.000 0.000 0.256 231 K C -0.874 175.770 176.600 0.073 0.000 0.999 231 K CA -0.096 56.227 56.287 0.060 0.000 0.908 231 K CB 0.942 33.477 32.500 0.058 0.000 0.981 231 K HN 0.347 nan 8.250 nan 0.000 0.500 232 L N 1.973 123.250 121.223 0.090 0.000 2.442 232 L HA 0.216 4.556 4.340 -0.000 0.000 0.261 232 L C -1.079 175.884 176.870 0.156 0.000 1.000 232 L CA -0.549 54.359 54.840 0.113 0.000 0.882 232 L CB 1.349 43.469 42.059 0.101 0.000 1.207 232 L HN 0.318 nan 8.230 nan 0.000 0.443 233 V N 2.788 122.799 119.914 0.163 0.000 2.953 233 V HA 0.271 4.391 4.120 -0.000 0.000 0.304 233 V C -0.374 175.899 176.094 0.298 0.000 1.073 233 V CA -0.554 61.867 62.300 0.202 0.000 1.064 233 V CB 1.280 33.197 31.823 0.155 0.000 1.047 233 V HN 0.780 nan 8.190 nan 0.000 0.478 234 H N 2.479 121.677 119.070 0.214 0.000 2.645 234 H HA 0.621 5.177 4.556 -0.000 0.000 0.257 234 H C -0.030 175.441 175.328 0.237 0.000 1.269 234 H CA -0.456 55.749 56.048 0.262 0.000 1.409 234 H CB 0.415 30.380 29.762 0.337 0.000 1.434 234 H HN 0.773 nan 8.280 nan 0.000 0.505 235 A N 4.624 127.458 122.820 0.023 0.000 2.666 235 A HA 0.167 4.487 4.320 -0.000 0.000 0.312 235 A C 0.467 177.874 177.584 -0.295 0.000 1.471 235 A CA -0.498 51.499 52.037 -0.067 0.000 1.134 235 A CB -1.009 18.021 19.000 0.049 0.000 1.129 235 A HN 0.921 nan 8.150 nan 0.000 0.539 236 N N 2.100 120.367 118.700 -0.722 0.000 2.024 236 N HA -0.171 4.568 4.740 -0.000 0.000 0.282 236 N C -0.167 175.161 175.510 -0.303 0.000 1.234 236 N CA 0.886 53.335 53.050 -1.001 0.000 0.817 236 N CB -0.640 36.389 38.487 -2.430 0.000 1.051 236 N HN 0.603 nan 8.380 nan 0.000 0.478 237 F N 0.899 120.711 119.950 -0.231 0.000 2.284 237 F HA -0.242 4.285 4.527 -0.000 0.000 0.197 237 F C 1.689 177.437 175.800 -0.086 0.000 1.023 237 F CA 0.039 57.995 58.000 -0.073 0.000 0.858 237 F CB -1.350 37.718 39.000 0.113 0.000 0.933 237 F HN 0.872 nan 8.300 nan 0.000 0.803 238 G N 3.149 111.982 108.800 0.055 0.000 2.379 238 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.281 238 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.281 238 G C 0.931 175.807 174.900 -0.039 0.000 0.855 238 G CA 1.344 46.421 45.100 -0.038 0.000 1.105 238 G HN 1.971 nan 8.290 nan 0.000 0.482 239 T N -3.045 111.523 114.554 0.024 0.000 10.479 239 T HA -0.497 3.853 4.350 -0.000 0.000 0.411 239 T C 1.544 176.162 174.700 -0.137 0.000 1.504 239 T CA 2.581 64.699 62.100 0.029 0.000 2.475 239 T CB -1.667 67.207 68.868 0.009 0.000 2.895 239 T HN 2.082 nan 8.240 nan 0.000 1.096 240 K N 1.542 121.776 120.400 -0.276 0.000 3.377 240 K HA -0.440 3.880 4.320 -0.000 0.000 0.314 240 K C 0.990 177.387 176.600 -0.338 0.000 1.246 240 K CA 2.841 58.831 56.287 -0.494 0.000 0.961 240 K CB -1.248 30.509 32.500 -1.239 0.000 1.233 240 K HN 0.994 nan 8.250 nan 0.000 0.428 241 K N -1.546 118.742 120.400 -0.187 0.000 3.467 241 K HA -0.342 3.978 4.320 -0.000 0.000 0.375 241 K C 0.806 177.358 176.600 -0.079 0.000 0.589 241 K CA 2.269 58.494 56.287 -0.104 0.000 1.651 241 K CB -1.557 30.879 32.500 -0.106 0.000 1.135 241 K HN 0.415 nan 8.250 nan 0.000 0.459 242 D N -0.297 120.006 120.400 -0.162 0.000 2.106 242 D HA 0.011 4.651 4.640 -0.000 0.000 0.203 242 D C 1.689 178.058 176.300 0.114 0.000 0.977 242 D CA 1.746 55.704 54.000 -0.070 0.000 0.844 242 D CB -0.415 40.277 40.800 -0.179 0.000 1.002 242 D HN 0.466 nan 8.370 nan 0.000 0.461 243 F N 0.709 120.642 119.950 -0.029 0.000 2.287 243 F HA -0.133 4.393 4.527 -0.000 0.000 0.301 243 F C 2.208 178.020 175.800 0.020 0.000 1.069 243 F CA 0.320 58.296 58.000 -0.040 0.000 1.372 243 F CB -0.024 38.851 39.000 -0.208 0.000 1.056 243 F HN 0.037 nan 8.300 nan 0.000 0.523 244 E N 0.117 120.426 120.200 0.182 0.000 2.265 244 E HA -0.156 4.194 4.350 -0.000 0.000 0.196 244 E C 0.371 177.050 176.600 0.132 0.000 0.996 244 E CA 0.792 57.269 56.400 0.128 0.000 0.832 244 E CB -0.472 29.271 29.700 0.072 0.000 0.756 244 E HN 0.398 nan 8.360 nan 0.000 0.491 245 D N 1.287 121.778 120.400 0.151 0.000 2.767 245 D HA 0.090 4.729 4.640 -0.000 0.000 0.231 245 D C 0.365 176.767 176.300 0.170 0.000 1.105 245 D CA 0.091 54.173 54.000 0.136 0.000 1.024 245 D CB -0.404 40.470 40.800 0.125 0.000 1.123 245 D HN 0.086 nan 8.370 nan 0.000 0.470 246 L N -2.301 119.025 121.223 0.171 0.000 2.256 246 L HA 0.444 4.784 4.340 -0.000 0.000 0.261 246 L C 1.139 178.112 176.870 0.171 0.000 1.022 246 L CA -0.862 54.098 54.840 0.201 0.000 0.828 246 L CB 0.798 43.013 42.059 0.261 0.000 1.374 246 L HN -0.173 nan 8.230 nan 0.000 0.436 247 Y N 0.782 121.116 120.300 0.056 0.000 2.034 247 Y HA -0.048 4.502 4.550 -0.000 0.000 0.269 247 Y C 1.043 176.971 175.900 0.046 0.000 1.125 247 Y CA 1.927 60.048 58.100 0.036 0.000 1.097 247 Y CB -0.392 38.072 38.460 0.008 0.000 0.978 247 Y HN 0.697 nan 8.280 nan 0.000 0.480 248 T N 4.891 119.439 114.554 -0.010 0.000 2.871 248 T HA 0.100 4.450 4.350 -0.000 0.000 0.296 248 T C -2.344 172.322 174.700 -0.056 0.000 0.998 248 T CA -0.825 61.219 62.100 -0.093 0.000 1.162 248 T CB 0.455 69.374 68.868 0.084 0.000 0.947 248 T HN 0.257 nan 8.240 nan 0.000 0.536 249 P HA 0.229 nan 4.420 nan 0.000 0.282 249 P C 0.586 177.890 177.300 0.007 0.000 1.249 249 P CA -0.559 62.517 63.100 -0.039 0.000 0.806 249 P CB 1.175 32.836 31.700 -0.065 0.000 0.984 250 V N -1.463 118.467 119.914 0.027 0.000 3.542 250 V HA 0.192 4.311 4.120 -0.000 0.000 0.296 250 V C 0.860 176.975 176.094 0.035 0.000 1.364 250 V CA -0.243 62.083 62.300 0.044 0.000 1.118 250 V CB -1.438 30.419 31.823 0.058 0.000 0.972 250 V HN 0.399 nan 8.190 nan 0.000 0.430 251 N N 3.507 122.220 118.700 0.022 0.000 2.374 251 N HA 0.223 4.963 4.740 -0.000 0.000 0.298 251 N C 1.023 176.548 175.510 0.024 0.000 1.273 251 N CA 1.335 54.396 53.050 0.020 0.000 1.093 251 N CB -0.845 37.647 38.487 0.009 0.000 1.486 251 N HN 0.971 nan 8.380 nan 0.000 0.488 252 G N 1.826 110.644 108.800 0.030 0.000 2.638 252 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.269 252 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.269 252 G C -0.698 174.224 174.900 0.037 0.000 1.141 252 G CA 0.038 45.158 45.100 0.032 0.000 1.081 252 G HN 1.183 nan 8.290 nan 0.000 0.527 253 S N -0.970 114.757 115.700 0.045 0.000 2.558 253 S HA 0.663 5.133 4.470 -0.000 0.000 0.277 253 S C -0.177 174.461 174.600 0.064 0.000 1.143 253 S CA -0.996 57.236 58.200 0.053 0.000 0.865 253 S CB 1.395 64.628 63.200 0.056 0.000 1.102 253 S HN 0.909 nan 8.310 nan 0.000 0.454 254 I N 1.669 122.279 120.570 0.068 0.000 2.892 254 I HA 0.295 4.465 4.170 -0.000 0.000 0.287 254 I C -0.325 175.851 176.117 0.098 0.000 1.205 254 I CA -0.276 61.070 61.300 0.077 0.000 1.409 254 I CB 0.581 38.624 38.000 0.072 0.000 1.367 254 I HN 0.481 nan 8.210 nan 0.000 0.597 255 V N 6.427 126.406 119.914 0.108 0.000 2.823 255 V HA 0.488 4.608 4.120 -0.000 0.000 0.312 255 V C -0.117 176.081 176.094 0.173 0.000 1.072 255 V CA -0.620 61.765 62.300 0.140 0.000 0.937 255 V CB 2.183 34.076 31.823 0.117 0.000 1.013 255 V HN 0.434 nan 8.190 nan 0.000 0.430 256 I N 3.922 124.650 120.570 0.263 0.000 2.525 256 I HA 0.800 4.969 4.170 -0.000 0.000 0.301 256 I C -0.555 175.791 176.117 0.383 0.000 0.992 256 I CA -0.897 60.617 61.300 0.358 0.000 1.162 256 I CB 1.997 40.294 38.000 0.496 0.000 1.332 256 I HN 0.551 nan 8.210 nan 0.000 0.458 257 V N 2.158 122.229 119.914 0.262 0.000 3.178 257 V HA 0.609 4.729 4.120 -0.000 0.000 0.302 257 V C -0.845 175.181 176.094 -0.113 0.000 1.262 257 V CA -1.148 61.205 62.300 0.088 0.000 1.030 257 V CB 2.031 33.862 31.823 0.014 0.000 1.074 257 V HN 0.730 nan 8.190 nan 0.000 0.438 258 R N 1.764 122.176 120.500 -0.146 0.000 2.500 258 R HA 0.814 5.154 4.340 -0.000 0.000 0.277 258 R C 0.104 176.396 176.300 -0.014 0.000 1.026 258 R CA 0.029 55.986 56.100 -0.238 0.000 1.058 258 R CB 1.514 31.761 30.300 -0.088 0.000 1.078 258 R HN 1.150 nan 8.270 nan 0.000 0.509 259 A N 1.340 124.119 122.820 -0.068 0.000 2.347 259 A HA 0.561 4.881 4.320 -0.000 0.000 0.287 259 A C 0.339 177.973 177.584 0.082 0.000 1.199 259 A CA 0.437 52.380 52.037 -0.156 0.000 0.851 259 A CB 0.195 19.008 19.000 -0.311 0.000 1.118 259 A HN 0.878 nan 8.150 nan 0.000 0.525 260 G N 1.384 110.048 108.800 -0.226 0.000 3.078 260 G HA2 0.167 4.127 3.960 -0.000 0.000 0.131 260 G HA3 0.167 4.127 3.960 -0.000 0.000 0.131 260 G C 0.689 175.205 174.900 -0.639 0.000 1.219 260 G CA 0.024 44.786 45.100 -0.563 0.000 1.319 260 G HN 0.469 nan 8.290 nan 0.000 0.653 261 K N 0.102 119.900 120.400 -1.003 0.000 2.163 261 K HA -0.168 4.151 4.320 -0.000 0.000 0.210 261 K C 1.393 177.764 176.600 -0.382 0.000 1.048 261 K CA 2.040 57.970 56.287 -0.594 0.000 0.928 261 K CB -0.586 31.584 32.500 -0.550 0.000 0.716 261 K HN 0.561 nan 8.250 nan 0.000 0.459 262 I N -3.138 117.218 120.570 -0.357 0.000 3.522 262 I HA 0.275 4.444 4.170 -0.000 0.000 0.292 262 I C -0.002 175.985 176.117 -0.216 0.000 1.147 262 I CA -1.227 59.916 61.300 -0.262 0.000 1.032 262 I CB 1.729 39.583 38.000 -0.244 0.000 1.337 262 I HN -0.189 nan 8.210 nan 0.000 0.496 263 T N -1.878 112.578 114.554 -0.163 0.000 2.907 263 T HA 0.431 4.781 4.350 -0.000 0.000 0.284 263 T C 0.596 175.282 174.700 -0.024 0.000 1.004 263 T CA -0.447 61.614 62.100 -0.066 0.000 1.063 263 T CB 1.068 69.880 68.868 -0.094 0.000 0.992 263 T HN 0.459 nan 8.240 nan 0.000 0.483 264 F N 1.627 121.506 119.950 -0.118 0.000 2.063 264 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 264 F C 2.976 178.722 175.800 -0.089 0.000 1.105 264 F CA 1.989 59.935 58.000 -0.090 0.000 1.215 264 F CB -1.453 37.487 39.000 -0.100 0.000 0.972 264 F HN 0.816 nan 8.300 nan 0.000 0.483 265 A N -0.057 122.822 122.820 0.099 0.000 1.881 265 A HA -0.316 4.004 4.320 -0.000 0.000 0.219 265 A C 2.168 179.740 177.584 -0.020 0.000 1.215 265 A CA 2.422 54.458 52.037 -0.001 0.000 0.648 265 A CB -1.066 17.856 19.000 -0.131 0.000 0.832 265 A HN 0.531 nan 8.150 nan 0.000 0.455 266 E N -0.452 119.711 120.200 -0.062 0.000 2.047 266 E HA -0.182 4.167 4.350 -0.000 0.000 0.191 266 E C 2.152 178.714 176.600 -0.062 0.000 0.987 266 E CA 1.286 57.640 56.400 -0.077 0.000 0.799 266 E CB -0.207 29.421 29.700 -0.121 0.000 0.752 266 E HN 0.615 nan 8.360 nan 0.000 0.449 267 K N 0.643 120.999 120.400 -0.073 0.000 2.034 267 K HA -0.187 4.132 4.320 -0.000 0.000 0.214 267 K C 2.287 178.877 176.600 -0.018 0.000 1.051 267 K CA 1.735 57.981 56.287 -0.069 0.000 0.931 267 K CB -0.396 32.037 32.500 -0.111 0.000 0.715 267 K HN 0.005 nan 8.250 nan 0.000 0.446 268 V N 1.482 121.405 119.914 0.015 0.000 2.261 268 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 268 V C 2.478 178.590 176.094 0.030 0.000 1.047 268 V CA 2.014 64.338 62.300 0.040 0.000 1.015 268 V CB -0.991 30.873 31.823 0.069 0.000 0.642 268 V HN 0.404 nan 8.190 nan 0.000 0.446 269 A N 1.049 123.880 122.820 0.019 0.000 1.896 269 A HA -0.332 3.988 4.320 -0.000 0.000 0.220 269 A C 2.088 179.678 177.584 0.011 0.000 1.206 269 A CA 2.560 54.606 52.037 0.015 0.000 0.647 269 A CB -0.893 18.106 19.000 -0.001 0.000 0.828 269 A HN 0.651 nan 8.150 nan 0.000 0.455 270 N N 0.308 119.006 118.700 -0.004 0.000 2.084 270 N HA -0.138 4.602 4.740 -0.000 0.000 0.190 270 N C 1.992 177.510 175.510 0.015 0.000 1.030 270 N CA 1.668 54.717 53.050 -0.003 0.000 0.849 270 N CB -0.812 37.661 38.487 -0.023 0.000 1.012 270 N HN 0.507 nan 8.380 nan 0.000 0.423 271 A N 1.364 124.196 122.820 0.020 0.000 1.903 271 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 271 A C 2.152 179.758 177.584 0.038 0.000 1.191 271 A CA 2.000 54.058 52.037 0.035 0.000 0.638 271 A CB -0.746 18.280 19.000 0.043 0.000 0.823 271 A HN 0.502 nan 8.150 nan 0.000 0.451 272 E N 0.075 120.297 120.200 0.037 0.000 2.208 272 E HA -0.122 4.227 4.350 -0.000 0.000 0.193 272 E C 1.995 178.614 176.600 0.033 0.000 0.988 272 E CA 1.103 57.526 56.400 0.038 0.000 0.828 272 E CB -0.101 29.624 29.700 0.042 0.000 0.763 272 E HN 0.756 nan 8.360 nan 0.000 0.478 273 S N 0.081 115.798 115.700 0.028 0.000 2.474 273 S HA -0.045 4.424 4.470 -0.000 0.000 0.235 273 S C 1.507 176.123 174.600 0.026 0.000 0.997 273 S CA 0.346 58.561 58.200 0.025 0.000 0.949 273 S CB 0.100 63.311 63.200 0.020 0.000 0.766 273 S HN 0.225 nan 8.310 nan 0.000 0.517 274 L N 1.726 122.967 121.223 0.028 0.000 2.741 274 L HA 0.382 4.721 4.340 -0.000 0.000 0.237 274 L C 0.318 177.207 176.870 0.030 0.000 1.178 274 L CA 0.283 55.140 54.840 0.029 0.000 0.973 274 L CB -2.073 40.006 42.059 0.033 0.000 1.255 274 L HN 0.428 nan 8.230 nan 0.000 0.498 275 N N -0.546 118.172 118.700 0.031 0.000 2.776 275 N HA -0.176 4.563 4.740 -0.000 0.000 0.250 275 N C 0.599 176.130 175.510 0.035 0.000 1.112 275 N CA 0.425 53.494 53.050 0.032 0.000 0.733 275 N CB -0.422 38.081 38.487 0.027 0.000 1.097 275 N HN 0.465 nan 8.380 nan 0.000 0.558 276 A N 0.228 123.072 122.820 0.040 0.000 2.250 276 A HA 0.781 5.101 4.320 -0.000 0.000 0.283 276 A C 0.185 177.797 177.584 0.047 0.000 1.206 276 A CA 0.079 52.144 52.037 0.046 0.000 0.840 276 A CB 0.405 19.437 19.000 0.053 0.000 1.220 276 A HN 0.289 nan 8.150 nan 0.000 0.505 277 I N -3.141 117.460 120.570 0.052 0.000 2.692 277 I HA 0.663 4.832 4.170 -0.000 0.000 0.293 277 I C 0.195 176.347 176.117 0.057 0.000 1.200 277 I CA 0.064 61.395 61.300 0.052 0.000 1.036 277 I CB 1.018 39.046 38.000 0.047 0.000 1.258 277 I HN 1.658 nan 8.210 nan 0.000 0.421 278 G N 2.850 111.686 108.800 0.059 0.000 2.892 278 G HA2 0.227 4.187 3.960 -0.000 0.000 0.686 278 G HA3 0.227 4.187 3.960 -0.000 0.000 0.686 278 G C -1.052 173.891 174.900 0.071 0.000 1.244 278 G CA -0.409 44.729 45.100 0.063 0.000 0.947 278 G HN 1.049 nan 8.290 nan 0.000 0.584 279 V N 3.799 123.757 119.914 0.075 0.000 2.668 279 V HA 0.596 4.716 4.120 -0.000 0.000 0.304 279 V C -0.170 175.977 176.094 0.088 0.000 1.071 279 V CA -1.150 61.200 62.300 0.084 0.000 0.894 279 V CB 1.830 33.700 31.823 0.077 0.000 1.008 279 V HN 0.815 nan 8.190 nan 0.000 0.425 280 L N 5.403 126.690 121.223 0.106 0.000 2.329 280 L HA 0.656 4.996 4.340 -0.000 0.000 0.279 280 L C -0.623 176.332 176.870 0.142 0.000 1.014 280 L CA -0.453 54.455 54.840 0.113 0.000 0.814 280 L CB 1.577 43.705 42.059 0.115 0.000 1.257 280 L HN 0.486 nan 8.230 nan 0.000 0.424 281 I N 4.394 125.044 120.570 0.132 0.000 2.389 281 I HA 0.410 4.579 4.170 -0.000 0.000 0.288 281 I C -0.390 175.928 176.117 0.335 0.000 0.999 281 I CA -0.483 60.898 61.300 0.135 0.000 1.129 281 I CB 1.494 39.544 38.000 0.082 0.000 1.288 281 I HN 0.460 nan 8.210 nan 0.000 0.444 282 Y N 4.437 124.905 120.300 0.279 0.000 2.570 282 Y HA 0.805 5.355 4.550 -0.000 0.000 0.345 282 Y C -1.021 174.944 175.900 0.109 0.000 1.014 282 Y CA -1.773 56.511 58.100 0.307 0.000 1.063 282 Y CB 1.454 40.008 38.460 0.157 0.000 1.272 282 Y HN 0.337 nan 8.280 nan 0.000 0.477 283 M N 4.233 123.905 119.600 0.119 0.000 2.289 283 M HA 0.207 4.687 4.480 -0.000 0.000 0.354 283 M C -0.954 175.531 176.300 0.308 0.000 1.210 283 M CA -0.575 54.550 55.300 -0.292 0.000 1.174 283 M CB -0.005 32.031 32.600 -0.940 0.000 1.297 283 M HN 0.847 nan 8.290 nan 0.000 0.423 284 D N 0.797 121.507 120.400 0.517 0.000 2.346 284 D HA -0.107 4.532 4.640 -0.000 0.000 0.236 284 D C 0.813 177.352 176.300 0.398 0.000 1.259 284 D CA 0.007 54.351 54.000 0.574 0.000 0.898 284 D CB 0.920 42.037 40.800 0.528 0.000 1.178 284 D HN 0.611 nan 8.370 nan 0.000 0.457 285 Q N -0.755 119.212 119.800 0.279 0.000 2.083 285 Q HA -0.156 4.183 4.340 -0.000 0.000 0.198 285 Q C 1.976 178.065 176.000 0.148 0.000 0.969 285 Q CA 1.867 57.787 55.803 0.194 0.000 0.838 285 Q CB -0.228 28.592 28.738 0.136 0.000 0.900 285 Q HN 0.798 nan 8.270 nan 0.000 0.436 286 T N -0.611 114.018 114.554 0.125 0.000 2.674 286 T HA -0.130 4.219 4.350 -0.000 0.000 0.265 286 T C 1.888 176.604 174.700 0.026 0.000 1.039 286 T CA 1.019 63.159 62.100 0.066 0.000 1.150 286 T CB -0.216 68.684 68.868 0.054 0.000 0.864 286 T HN 0.018 nan 8.240 nan 0.000 0.427 287 K N 0.692 121.118 120.400 0.042 0.000 2.103 287 K HA 0.134 4.454 4.320 -0.000 0.000 0.204 287 K C -0.058 176.257 176.600 -0.476 0.000 1.052 287 K CA 0.665 56.858 56.287 -0.157 0.000 0.945 287 K CB -0.244 32.250 32.500 -0.011 0.000 0.722 287 K HN 0.515 nan 8.250 nan 0.000 0.443 288 F N 1.222 121.200 119.950 0.045 0.000 2.451 288 F HA 0.291 4.817 4.527 -0.000 0.000 0.367 288 F C -2.127 173.692 175.800 0.031 0.000 1.100 288 F CA -2.424 55.584 58.000 0.014 0.000 1.171 288 F CB 1.467 40.466 39.000 -0.003 0.000 1.405 288 F HN -0.176 nan 8.300 nan 0.000 0.482 289 P HA 0.060 nan 4.420 nan 0.000 0.246 289 P C -0.260 177.106 177.300 0.111 0.000 1.675 289 P CA 0.582 63.729 63.100 0.078 0.000 0.908 289 P CB -0.350 31.358 31.700 0.014 0.000 1.890 290 I N -0.379 120.295 120.570 0.172 0.000 2.342 290 I HA 0.057 4.227 4.170 -0.000 0.000 0.291 290 I C 1.867 178.068 176.117 0.140 0.000 1.010 290 I CA -0.430 60.993 61.300 0.206 0.000 1.308 290 I CB 1.720 39.866 38.000 0.244 0.000 1.400 290 I HN -0.067 nan 8.210 nan 0.000 0.488 291 V N 6.018 126.003 119.914 0.118 0.000 2.282 291 V HA -0.242 3.877 4.120 -0.000 0.000 0.249 291 V C 1.192 177.326 176.094 0.067 0.000 1.057 291 V CA 1.977 64.324 62.300 0.078 0.000 1.032 291 V CB -0.306 31.554 31.823 0.061 0.000 0.645 291 V HN 0.946 nan 8.190 nan 0.000 0.447 292 N N 0.064 118.802 118.700 0.063 0.000 2.470 292 N HA 0.349 5.089 4.740 -0.000 0.000 0.268 292 N C 0.170 175.723 175.510 0.072 0.000 1.136 292 N CA 0.737 53.818 53.050 0.053 0.000 0.961 292 N CB 1.357 39.864 38.487 0.033 0.000 1.067 292 N HN 0.365 nan 8.380 nan 0.000 0.468 293 A N 3.453 126.311 122.820 0.063 0.000 2.390 293 A HA 0.169 4.488 4.320 -0.000 0.000 0.232 293 A C 0.853 178.477 177.584 0.068 0.000 1.233 293 A CA -0.064 52.015 52.037 0.070 0.000 0.907 293 A CB 0.067 19.098 19.000 0.051 0.000 0.967 293 A HN 0.691 nan 8.150 nan 0.000 0.512 294 E N -0.311 119.928 120.200 0.065 0.000 2.419 294 E HA 0.114 4.464 4.350 -0.000 0.000 0.190 294 E C -0.571 176.088 176.600 0.100 0.000 1.040 294 E CA -0.147 56.294 56.400 0.069 0.000 0.900 294 E CB 0.258 29.989 29.700 0.053 0.000 1.054 294 E HN 0.447 nan 8.360 nan 0.000 0.462 295 L N 1.770 123.066 121.223 0.121 0.000 2.326 295 L HA 0.169 4.509 4.340 -0.000 0.000 0.278 295 L C -0.041 176.978 176.870 0.249 0.000 1.092 295 L CA -0.253 54.685 54.840 0.163 0.000 0.810 295 L CB 1.175 43.320 42.059 0.144 0.000 1.153 295 L HN -0.140 nan 8.230 nan 0.000 0.439 296 S N 3.843 119.721 115.700 0.297 0.000 2.532 296 S HA 0.839 5.309 4.470 -0.000 0.000 0.301 296 S C -0.593 174.292 174.600 0.475 0.000 1.083 296 S CA -0.721 57.693 58.200 0.357 0.000 1.025 296 S CB 1.466 64.810 63.200 0.239 0.000 1.056 296 S HN 0.491 nan 8.310 nan 0.000 0.494 297 F N -0.482 119.523 119.950 0.092 0.000 2.598 297 F HA 0.848 5.375 4.527 -0.000 0.000 0.327 297 F C -0.921 174.693 175.800 -0.310 0.000 1.057 297 F CA -2.402 55.599 58.000 0.002 0.000 0.957 297 F CB 0.437 39.453 39.000 0.027 0.000 1.278 297 F HN 0.570 nan 8.300 nan 0.000 0.484 298 F N 1.163 120.711 119.950 -0.671 0.000 2.385 298 F HA 0.814 5.340 4.527 -0.000 0.000 0.336 298 F C 0.058 175.334 175.800 -0.873 0.000 1.100 298 F CA -0.887 56.414 58.000 -1.164 0.000 1.116 298 F CB 1.185 39.199 39.000 -1.644 0.000 1.166 298 F HN 0.818 nan 8.300 nan 0.000 0.511 299 G N 3.364 111.014 108.800 -1.916 0.000 2.735 299 G HA2 0.278 4.238 3.960 -0.000 0.000 0.301 299 G HA3 0.278 4.238 3.960 -0.000 0.000 0.301 299 G C -0.793 172.978 174.900 -1.883 0.000 1.279 299 G CA -0.250 43.702 45.100 -1.913 0.000 1.019 299 G HN 0.752 nan 8.290 nan 0.000 0.497 300 H N -0.634 117.682 119.070 -1.257 0.000 2.570 300 H HA 0.389 4.944 4.556 -0.000 0.000 0.268 300 H C 1.906 177.085 175.328 -0.248 0.000 1.175 300 H CA 1.808 57.459 56.048 -0.661 0.000 1.686 300 H CB 0.630 30.136 29.762 -0.428 0.000 1.456 300 H HN 1.159 nan 8.280 nan 0.000 0.592 301 A N 0.214 123.139 122.820 0.175 0.000 3.526 301 A HA -0.229 4.091 4.320 -0.000 0.000 0.254 301 A C 0.601 178.335 177.584 0.250 0.000 1.109 301 A CA 1.187 53.336 52.037 0.187 0.000 1.395 301 A CB -2.982 16.103 19.000 0.141 0.000 1.057 301 A HN 0.773 nan 8.150 nan 0.000 0.901 302 H N -0.254 118.951 119.070 0.224 0.000 2.723 302 H HA 0.465 5.021 4.556 -0.000 0.000 0.294 302 H C 0.216 175.463 175.328 -0.136 0.000 1.079 302 H CA -0.431 55.614 56.048 -0.004 0.000 1.411 302 H CB 0.561 30.305 29.762 -0.030 0.000 1.439 302 H HN 0.458 nan 8.280 nan 0.000 0.474 303 L N 6.702 127.867 121.223 -0.098 0.000 2.803 303 L HA 0.238 4.577 4.340 -0.000 0.000 0.241 303 L C 0.236 176.882 176.870 -0.374 0.000 1.404 303 L CA 0.747 55.466 54.840 -0.201 0.000 1.211 303 L CB -0.838 41.190 42.059 -0.051 0.000 1.585 303 L HN 0.873 nan 8.230 nan 0.000 0.430 304 G N -1.053 107.288 108.800 -0.765 0.000 2.510 304 G HA2 0.387 4.347 3.960 -0.000 0.000 0.277 304 G HA3 0.387 4.347 3.960 -0.000 0.000 0.277 304 G C -1.161 173.511 174.900 -0.380 0.000 1.223 304 G CA 0.033 44.799 45.100 -0.556 0.000 0.887 304 G HN 0.069 nan 8.290 nan 0.000 0.485 305 T N -0.851 113.641 114.554 -0.102 0.000 2.928 305 T HA 0.697 5.046 4.350 -0.000 0.000 0.296 305 T C 0.215 174.956 174.700 0.068 0.000 1.000 305 T CA 1.423 63.574 62.100 0.085 0.000 0.989 305 T CB 0.537 69.564 68.868 0.265 0.000 1.005 305 T HN 2.607 nan 8.240 nan 0.000 0.442 306 G N 3.874 112.760 108.800 0.145 0.000 2.728 306 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.294 306 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.294 306 G C -0.537 174.381 174.900 0.031 0.000 1.342 306 G CA -0.290 44.851 45.100 0.069 0.000 0.866 306 G HN 0.955 nan 8.290 nan 0.000 0.534 307 D N 1.109 121.485 120.400 -0.040 0.000 2.586 307 D HA 0.111 4.751 4.640 -0.000 0.000 0.234 307 D C -0.612 175.485 176.300 -0.339 0.000 1.132 307 D CA -0.200 53.735 54.000 -0.109 0.000 0.860 307 D CB 1.007 41.810 40.800 0.006 0.000 1.159 307 D HN 0.202 nan 8.370 nan 0.000 0.490 308 P HA -0.020 nan 4.420 nan 0.000 0.258 308 P C -0.348 176.354 177.300 -0.996 0.000 1.403 308 P CA 0.395 62.829 63.100 -1.110 0.000 0.826 308 P CB -0.460 30.176 31.700 -1.772 0.000 1.414 309 Y N -1.660 118.583 120.300 -0.094 0.000 2.666 309 Y HA 0.177 4.727 4.550 -0.000 0.000 0.260 309 Y C 1.259 177.187 175.900 0.047 0.000 1.089 309 Y CA -0.229 57.873 58.100 0.003 0.000 1.246 309 Y CB 0.511 38.984 38.460 0.021 0.000 1.353 309 Y HN -0.034 nan 8.280 nan 0.000 0.558 310 T N 0.465 114.947 114.554 -0.120 0.000 3.532 310 T HA 0.295 4.645 4.350 -0.000 0.000 0.241 310 T C -3.138 171.097 174.700 -0.775 0.000 1.238 310 T CA -2.281 59.434 62.100 -0.641 0.000 1.405 310 T CB 0.316 68.942 68.868 -0.403 0.000 0.971 310 T HN -0.157 nan 8.240 nan 0.000 0.640 311 P HA 0.347 nan 4.420 nan 0.000 0.273 311 P C 1.134 178.316 177.300 -0.196 0.000 1.319 311 P CA 0.794 63.708 63.100 -0.309 0.000 0.885 311 P CB 0.307 31.942 31.700 -0.109 0.000 1.015 312 G N 3.883 112.542 108.800 -0.235 0.000 2.317 312 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.227 312 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.227 312 G C -0.178 174.809 174.900 0.144 0.000 1.042 312 G CA 0.081 45.223 45.100 0.071 0.000 0.623 312 G HN 0.570 nan 8.290 nan 0.000 0.509 313 F N 0.519 120.458 119.950 -0.018 0.000 2.508 313 F HA 0.862 5.389 4.527 -0.000 0.000 0.325 313 F C -2.640 173.095 175.800 -0.109 0.000 1.090 313 F CA -3.376 54.590 58.000 -0.057 0.000 0.945 313 F CB 1.191 40.155 39.000 -0.061 0.000 1.156 313 F HN -0.051 nan 8.300 nan 0.000 0.463 314 P HA 0.122 nan 4.420 nan 0.000 0.271 314 P C -0.524 176.567 177.300 -0.348 0.000 1.233 314 P CA -0.132 62.845 63.100 -0.205 0.000 0.789 314 P CB 0.806 32.426 31.700 -0.133 0.000 0.951 315 S N 0.399 115.952 115.700 -0.245 0.000 2.707 315 S HA 0.618 5.088 4.470 -0.000 0.000 0.276 315 S C -0.244 174.177 174.600 -0.298 0.000 1.179 315 S CA -0.104 58.030 58.200 -0.111 0.000 0.992 315 S CB 0.242 63.525 63.200 0.138 0.000 1.030 315 S HN 0.273 nan 8.310 nan 0.000 0.554 316 F N -0.155 119.937 119.950 0.237 0.000 3.336 316 F HA 0.485 5.012 4.527 -0.000 0.000 0.214 316 F C 0.999 176.898 175.800 0.166 0.000 1.614 316 F CA -1.177 56.935 58.000 0.188 0.000 0.939 316 F CB -0.244 38.837 39.000 0.134 0.000 1.865 316 F HN 0.501 nan 8.300 nan 0.000 0.306 317 N N -1.033 117.861 118.700 0.323 0.000 2.476 317 N HA 0.071 4.811 4.740 -0.000 0.000 0.287 317 N C 0.508 176.139 175.510 0.202 0.000 1.262 317 N CA -0.398 52.704 53.050 0.087 0.000 0.980 317 N CB 0.670 39.149 38.487 -0.013 0.000 1.163 317 N HN 0.457 nan 8.380 nan 0.000 0.592 318 H N -0.006 119.091 119.070 0.046 0.000 2.476 318 H HA -0.016 4.539 4.556 -0.000 0.000 0.292 318 H C 1.692 177.029 175.328 0.015 0.000 1.019 318 H CA 1.759 57.836 56.048 0.049 0.000 1.330 318 H CB -0.254 29.524 29.762 0.027 0.000 1.451 318 H HN 0.713 nan 8.280 nan 0.000 0.535 319 T N -1.268 113.433 114.554 0.245 0.000 2.778 319 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 319 T C 1.142 175.890 174.700 0.081 0.000 1.050 319 T CA 1.095 63.282 62.100 0.145 0.000 1.137 319 T CB -0.079 68.816 68.868 0.044 0.000 0.860 319 T HN 0.381 nan 8.240 nan 0.000 0.468 320 Q N -0.532 119.307 119.800 0.065 0.000 2.312 320 Q HA 0.442 4.782 4.340 -0.000 0.000 0.263 320 Q C -1.195 174.856 176.000 0.085 0.000 0.995 320 Q CA -1.137 54.675 55.803 0.015 0.000 0.853 320 Q CB 0.601 29.306 28.738 -0.055 0.000 1.300 320 Q HN 0.312 nan 8.270 nan 0.000 0.448 321 F N 4.832 124.690 119.950 -0.153 0.000 2.572 321 F HA -0.136 4.391 4.527 -0.000 0.000 0.282 321 F C -2.254 173.497 175.800 -0.081 0.000 1.047 321 F CA 0.479 58.419 58.000 -0.101 0.000 1.022 321 F CB 0.167 39.114 39.000 -0.088 0.000 1.226 321 F HN 0.541 nan 8.300 nan 0.000 0.827 322 P HA 0.311 nan 4.420 nan 0.000 0.279 322 P C -2.228 174.758 177.300 -0.522 0.000 1.819 322 P CA -0.884 61.903 63.100 -0.521 0.000 1.258 322 P CB 0.350 31.688 31.700 -0.603 0.000 1.656 323 P HA -0.006 nan 4.420 nan 0.000 0.267 323 P C 1.446 178.478 177.300 -0.446 0.000 1.195 323 P CA 0.483 63.337 63.100 -0.410 0.000 0.773 323 P CB 0.574 32.052 31.700 -0.369 0.000 0.837 324 S N 1.117 116.651 115.700 -0.277 0.000 2.325 324 S HA -0.033 4.437 4.470 -0.000 0.000 0.213 324 S C 0.951 175.439 174.600 -0.186 0.000 1.031 324 S CA 1.042 59.103 58.200 -0.233 0.000 0.984 324 S CB -0.113 63.036 63.200 -0.084 0.000 0.939 324 S HN 0.664 nan 8.310 nan 0.000 0.438 325 R N -1.740 118.811 120.500 0.084 0.000 4.463 325 R HA 0.241 4.581 4.340 -0.000 0.000 0.244 325 R C 0.255 176.687 176.300 0.219 0.000 0.918 325 R CA 0.520 56.864 56.100 0.406 0.000 0.668 325 R CB -0.820 29.723 30.300 0.406 0.000 1.969 325 R HN 0.364 nan 8.270 nan 0.000 0.368 326 S N -0.739 115.061 115.700 0.167 0.000 3.011 326 S HA -0.149 4.321 4.470 -0.000 0.000 0.278 326 S C 0.069 174.717 174.600 0.081 0.000 1.300 326 S CA 1.454 59.715 58.200 0.102 0.000 1.248 326 S CB -1.274 61.977 63.200 0.084 0.000 1.517 326 S HN 0.592 nan 8.310 nan 0.000 0.685 327 S N 1.114 116.864 115.700 0.083 0.000 3.544 327 S HA 0.457 4.927 4.470 -0.000 0.000 0.227 327 S C 1.228 175.843 174.600 0.025 0.000 1.387 327 S CA 0.431 58.666 58.200 0.060 0.000 1.182 327 S CB -0.035 63.216 63.200 0.086 0.000 1.243 327 S HN 1.422 nan 8.310 nan 0.000 0.467 328 G N 0.597 109.427 108.800 0.051 0.000 2.135 328 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.183 328 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.183 328 G C -0.406 174.561 174.900 0.111 0.000 1.004 328 G CA -0.721 44.428 45.100 0.082 0.000 0.677 328 G HN 0.464 nan 8.290 nan 0.000 0.512 329 L N -0.478 120.783 121.223 0.063 0.000 2.334 329 L HA 0.623 4.963 4.340 -0.000 0.000 0.276 329 L C -0.370 176.556 176.870 0.094 0.000 1.014 329 L CA -1.976 52.908 54.840 0.073 0.000 0.815 329 L CB 1.325 43.407 42.059 0.039 0.000 1.268 329 L HN -0.111 nan 8.230 nan 0.000 0.428 330 P HA -0.341 nan 4.420 nan 0.000 0.217 330 P C 0.534 177.884 177.300 0.083 0.000 0.937 330 P CA 2.214 65.372 63.100 0.096 0.000 1.028 330 P CB -0.011 31.756 31.700 0.112 0.000 0.735 331 N N -4.976 113.777 118.700 0.088 0.000 2.967 331 N HA -0.127 4.613 4.740 -0.000 0.000 0.241 331 N C -1.184 174.367 175.510 0.068 0.000 0.983 331 N CA 0.629 53.724 53.050 0.075 0.000 0.918 331 N CB -1.275 37.251 38.487 0.066 0.000 1.109 331 N HN 0.037 nan 8.380 nan 0.000 0.567 332 I N 0.841 121.455 120.570 0.073 0.000 2.548 332 I HA 0.376 4.546 4.170 -0.000 0.000 0.287 332 I C -2.315 173.846 176.117 0.073 0.000 1.103 332 I CA -1.941 59.399 61.300 0.067 0.000 1.049 332 I CB 1.783 39.820 38.000 0.063 0.000 1.232 332 I HN -0.097 nan 8.210 nan 0.000 0.429 333 P HA 0.086 nan 4.420 nan 0.000 0.262 333 P C -0.678 176.664 177.300 0.070 0.000 1.182 333 P CA 0.163 63.305 63.100 0.070 0.000 0.761 333 P CB 1.097 32.834 31.700 0.061 0.000 0.795 334 V N 4.121 124.077 119.914 0.071 0.000 2.531 334 V HA 0.387 4.507 4.120 -0.000 0.000 0.301 334 V C -0.087 176.035 176.094 0.046 0.000 1.034 334 V CA -0.387 61.953 62.300 0.068 0.000 0.865 334 V CB 1.588 33.458 31.823 0.078 0.000 0.995 334 V HN 0.493 nan 8.190 nan 0.000 0.424 335 Q N 2.354 122.178 119.800 0.041 0.000 2.323 335 Q HA 0.498 4.837 4.340 -0.000 0.000 0.271 335 Q C -0.514 175.468 176.000 -0.029 0.000 1.048 335 Q CA -0.171 55.636 55.803 0.008 0.000 0.792 335 Q CB 2.179 30.934 28.738 0.027 0.000 1.280 335 Q HN 0.797 nan 8.270 nan 0.000 0.441 336 T N 3.430 117.897 114.554 -0.145 0.000 2.907 336 T HA 0.603 4.953 4.350 -0.000 0.000 0.298 336 T C -0.612 173.976 174.700 -0.187 0.000 1.017 336 T CA -0.078 61.828 62.100 -0.324 0.000 1.118 336 T CB 0.068 68.443 68.868 -0.821 0.000 0.948 336 T HN 0.490 nan 8.240 nan 0.000 0.531 337 I N 3.166 123.699 120.570 -0.063 0.000 2.608 337 I HA 0.375 4.545 4.170 -0.000 0.000 0.295 337 I C 0.130 176.360 176.117 0.188 0.000 1.049 337 I CA -0.313 61.022 61.300 0.058 0.000 1.063 337 I CB 2.159 40.201 38.000 0.070 0.000 1.248 337 I HN 0.620 nan 8.210 nan 0.000 0.424 338 S N 4.635 120.421 115.700 0.143 0.000 2.576 338 S HA 0.213 4.683 4.470 -0.000 0.000 0.276 338 S C 1.536 176.201 174.600 0.108 0.000 1.339 338 S CA -0.065 58.242 58.200 0.179 0.000 1.039 338 S CB 0.530 63.805 63.200 0.125 0.000 0.902 338 S HN 0.679 nan 8.310 nan 0.000 0.516 339 R N 3.241 123.818 120.500 0.128 0.000 2.113 339 R HA -0.198 4.141 4.340 -0.000 0.000 0.244 339 R C 2.257 178.522 176.300 -0.060 0.000 1.142 339 R CA 2.081 58.206 56.100 0.042 0.000 0.953 339 R CB -0.954 29.405 30.300 0.099 0.000 0.860 339 R HN 0.810 nan 8.270 nan 0.000 0.438 340 A N 0.564 123.372 122.820 -0.020 0.000 1.873 340 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 340 A C 2.414 179.926 177.584 -0.121 0.000 1.193 340 A CA 2.132 54.134 52.037 -0.058 0.000 0.629 340 A CB -1.096 17.887 19.000 -0.028 0.000 0.826 340 A HN 0.598 nan 8.150 nan 0.000 0.447 341 A N -0.412 122.350 122.820 -0.098 0.000 1.902 341 A HA 0.145 4.465 4.320 -0.000 0.000 0.217 341 A C 2.524 179.950 177.584 -0.265 0.000 1.181 341 A CA 2.241 54.202 52.037 -0.126 0.000 0.623 341 A CB -1.069 17.902 19.000 -0.048 0.000 0.818 341 A HN 1.161 nan 8.150 nan 0.000 0.443 342 A N -0.106 122.490 122.820 -0.373 0.000 1.883 342 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 342 A C 1.914 178.972 177.584 -0.877 0.000 1.186 342 A CA 1.772 53.319 52.037 -0.817 0.000 0.624 342 A CB -0.553 17.794 19.000 -1.088 0.000 0.822 342 A HN 0.513 nan 8.150 nan 0.000 0.444 343 E N 0.256 120.207 120.200 -0.416 0.000 2.068 343 E HA -0.276 4.073 4.350 -0.000 0.000 0.207 343 E C 1.950 178.446 176.600 -0.174 0.000 1.032 343 E CA 1.957 58.259 56.400 -0.163 0.000 0.839 343 E CB -0.490 29.155 29.700 -0.092 0.000 0.758 343 E HN 0.668 nan 8.360 nan 0.000 0.457 344 K N 0.372 120.645 120.400 -0.212 0.000 2.074 344 K HA -0.130 4.190 4.320 -0.000 0.000 0.209 344 K C 2.245 178.756 176.600 -0.148 0.000 1.048 344 K CA 0.865 57.048 56.287 -0.173 0.000 0.926 344 K CB -0.187 32.183 32.500 -0.216 0.000 0.713 344 K HN 0.019 nan 8.250 nan 0.000 0.444 345 L N 0.103 121.168 121.223 -0.262 0.000 1.970 345 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 345 L C 2.227 179.036 176.870 -0.101 0.000 1.071 345 L CA 1.907 56.608 54.840 -0.231 0.000 0.751 345 L CB -1.154 40.661 42.059 -0.408 0.000 0.889 345 L HN 0.239 nan 8.230 nan 0.000 0.432 346 F N -0.040 119.850 119.950 -0.101 0.000 2.192 346 F HA -0.209 4.318 4.527 -0.000 0.000 0.301 346 F C 2.479 178.247 175.800 -0.053 0.000 1.079 346 F CA 0.533 58.480 58.000 -0.089 0.000 1.303 346 F CB -0.766 38.157 39.000 -0.130 0.000 1.024 346 F HN 0.229 nan 8.300 nan 0.000 0.494 347 G N -0.083 108.783 108.800 0.110 0.000 2.462 347 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.220 347 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.220 347 G C 0.825 175.754 174.900 0.050 0.000 1.121 347 G CA 0.714 45.847 45.100 0.054 0.000 0.758 347 G HN 0.422 nan 8.290 nan 0.000 0.559 348 N N 0.195 118.926 118.700 0.051 0.000 2.546 348 N HA 0.362 5.101 4.740 -0.000 0.000 0.286 348 N C -0.695 174.856 175.510 0.069 0.000 1.259 348 N CA -0.130 52.950 53.050 0.051 0.000 0.939 348 N CB 0.363 38.874 38.487 0.041 0.000 1.243 348 N HN 0.243 nan 8.380 nan 0.000 0.511 349 M N -0.182 119.470 119.600 0.087 0.000 2.386 349 M HA 0.192 4.671 4.480 -0.000 0.000 0.293 349 M C 0.798 177.140 176.300 0.071 0.000 1.120 349 M CA -0.472 54.886 55.300 0.097 0.000 0.909 349 M CB 3.044 35.737 32.600 0.154 0.000 1.661 349 M HN 0.002 nan 8.290 nan 0.000 0.452 350 E N 2.222 122.459 120.200 0.061 0.000 2.033 350 E HA 0.067 4.416 4.350 -0.000 0.000 0.189 350 E C 1.010 177.630 176.600 0.033 0.000 0.979 350 E CA 0.648 57.073 56.400 0.042 0.000 0.802 350 E CB 0.179 29.904 29.700 0.042 0.000 0.763 350 E HN 0.919 nan 8.360 nan 0.000 0.449 351 G N 0.589 109.417 108.800 0.048 0.000 2.825 351 G HA2 -0.083 3.876 3.960 -0.000 0.000 0.241 351 G HA3 -0.083 3.876 3.960 -0.000 0.000 0.241 351 G C -0.661 174.238 174.900 -0.000 0.000 1.239 351 G CA 0.124 45.245 45.100 0.034 0.000 0.859 351 G HN 0.285 nan 8.290 nan 0.000 0.598 352 D N -1.464 118.916 120.400 -0.034 0.000 2.629 352 D HA 0.288 4.927 4.640 -0.000 0.000 0.250 352 D C -0.223 176.009 176.300 -0.114 0.000 1.126 352 D CA -0.561 53.395 54.000 -0.073 0.000 0.852 352 D CB 1.256 42.009 40.800 -0.078 0.000 1.335 352 D HN 0.400 nan 8.370 nan 0.000 0.518 353 c N 5.038 123.563 118.600 -0.124 0.000 2.590 353 c HA 0.237 4.807 4.570 -0.000 0.000 0.411 353 c C -1.761 172.166 174.090 -0.272 0.000 1.420 353 c CA -0.720 55.514 56.329 -0.159 0.000 1.643 353 c CB -0.572 41.882 42.510 -0.095 0.000 2.528 353 c HN 0.554 nan 8.230 nan 0.000 0.606 354 P HA 0.138 nan 4.420 nan 0.000 0.274 354 P C 0.329 177.385 177.300 -0.407 0.000 1.246 354 P CA 0.013 62.765 63.100 -0.581 0.000 0.795 354 P CB 0.601 31.679 31.700 -1.036 0.000 1.006 355 S N -0.449 115.079 115.700 -0.287 0.000 2.503 355 S HA -0.089 4.381 4.470 -0.000 0.000 0.217 355 S C 1.519 176.053 174.600 -0.111 0.000 0.999 355 S CA 0.438 58.547 58.200 -0.152 0.000 0.914 355 S CB -0.727 62.404 63.200 -0.113 0.000 0.782 355 S HN 0.448 nan 8.310 nan 0.000 0.520 356 D N 0.827 121.107 120.400 -0.199 0.000 2.116 356 D HA -0.142 4.497 4.640 -0.000 0.000 0.193 356 D C -0.050 176.350 176.300 0.167 0.000 0.998 356 D CA 0.718 54.677 54.000 -0.070 0.000 0.836 356 D CB -0.155 40.517 40.800 -0.213 0.000 0.951 356 D HN 0.566 nan 8.370 nan 0.000 0.449 357 W N 1.757 122.926 121.300 -0.218 0.000 2.591 357 W HA 0.053 4.713 4.660 -0.000 0.000 0.330 357 W C 0.631 177.034 176.519 -0.193 0.000 1.435 357 W CA -1.053 56.124 57.345 -0.279 0.000 1.350 357 W CB 0.139 29.422 29.460 -0.295 0.000 1.434 357 W HN -0.167 nan 8.180 nan 0.000 0.553 358 K N 3.363 123.802 120.400 0.065 0.000 2.360 358 K HA 0.055 4.375 4.320 -0.000 0.000 0.225 358 K C 0.360 176.959 176.600 -0.001 0.000 1.246 358 K CA 0.272 56.578 56.287 0.032 0.000 1.198 358 K CB -0.216 32.313 32.500 0.048 0.000 1.348 358 K HN 0.328 nan 8.250 nan 0.000 0.232 359 T N -0.799 113.768 114.554 0.021 0.000 2.572 359 T HA 0.334 4.683 4.350 -0.000 0.000 0.244 359 T C -0.923 173.793 174.700 0.027 0.000 0.860 359 T CA -0.737 61.374 62.100 0.019 0.000 1.125 359 T CB 1.101 69.996 68.868 0.047 0.000 1.491 359 T HN 0.169 nan 8.240 nan 0.000 0.532 360 D N 0.009 120.430 120.400 0.034 0.000 2.661 360 D HA 0.467 5.107 4.640 -0.000 0.000 0.228 360 D C -0.286 176.017 176.300 0.004 0.000 1.210 360 D CA -0.258 53.752 54.000 0.017 0.000 0.826 360 D CB 1.831 42.646 40.800 0.025 0.000 1.542 360 D HN 0.623 nan 8.370 nan 0.000 0.447 361 S N 0.647 116.338 115.700 -0.016 0.000 2.555 361 S HA 0.040 4.510 4.470 -0.000 0.000 0.270 361 S C 0.648 175.221 174.600 -0.044 0.000 1.365 361 S CA 1.221 59.399 58.200 -0.037 0.000 1.009 361 S CB 0.198 63.381 63.200 -0.029 0.000 0.818 361 S HN 0.774 nan 8.310 nan 0.000 0.504 362 T N -1.891 112.620 114.554 -0.073 0.000 7.410 362 T HA -0.208 4.142 4.350 -0.000 0.000 0.295 362 T C 0.599 175.166 174.700 -0.222 0.000 2.120 362 T CA 0.673 62.728 62.100 -0.075 0.000 3.590 362 T CB -2.482 66.383 68.868 -0.004 0.000 1.202 362 T HN 1.709 nan 8.240 nan 0.000 0.602 363 c N 4.426 122.747 118.600 -0.466 0.000 2.443 363 c HA 0.907 5.477 4.570 -0.000 0.000 0.369 363 c C 1.010 174.753 174.090 -0.578 0.000 1.241 363 c CA -1.089 54.556 56.329 -1.140 0.000 2.413 363 c CB 0.633 42.248 42.510 -1.491 0.000 2.451 363 c HN 0.493 nan 8.230 nan 0.000 0.595 364 R N 1.451 121.629 120.500 -0.537 0.000 2.893 364 R HA 0.557 4.897 4.340 -0.000 0.000 0.223 364 R C 0.198 176.518 176.300 0.034 0.000 1.433 364 R CA -0.833 55.196 56.100 -0.118 0.000 1.063 364 R CB 0.242 30.560 30.300 0.030 0.000 1.758 364 R HN 0.713 nan 8.270 nan 0.000 0.524 365 M N -0.696 118.973 119.600 0.116 0.000 2.532 365 M HA 0.245 4.725 4.480 -0.000 0.000 0.244 365 M C -0.520 175.910 176.300 0.218 0.000 1.390 365 M CA 0.587 56.009 55.300 0.204 0.000 1.132 365 M CB 1.049 33.726 32.600 0.128 0.000 1.466 365 M HN 0.189 nan 8.290 nan 0.000 0.550 366 V N 0.003 120.014 119.914 0.162 0.000 2.971 366 V HA 0.456 4.576 4.120 -0.000 0.000 0.309 366 V C -0.206 175.964 176.094 0.127 0.000 1.130 366 V CA -1.218 61.171 62.300 0.148 0.000 0.964 366 V CB 1.792 33.687 31.823 0.121 0.000 1.029 366 V HN 0.417 nan 8.190 nan 0.000 0.427 367 T N 0.463 115.088 114.554 0.118 0.000 2.903 367 T HA 0.241 4.591 4.350 -0.000 0.000 0.314 367 T C 0.437 175.182 174.700 0.076 0.000 1.078 367 T CA -0.082 62.075 62.100 0.096 0.000 1.114 367 T CB 0.621 69.537 68.868 0.081 0.000 0.987 367 T HN 1.058 nan 8.240 nan 0.000 0.548 368 S N 1.729 117.467 115.700 0.064 0.000 2.498 368 S HA 0.066 4.535 4.470 -0.000 0.000 0.281 368 S C 1.220 175.849 174.600 0.047 0.000 1.265 368 S CA -0.697 57.534 58.200 0.052 0.000 1.071 368 S CB 0.813 64.040 63.200 0.044 0.000 0.894 368 S HN 0.833 nan 8.310 nan 0.000 0.491 369 E N 3.654 123.881 120.200 0.045 0.000 2.172 369 E HA -0.339 4.011 4.350 -0.000 0.000 0.213 369 E C 2.048 178.669 176.600 0.036 0.000 1.051 369 E CA 2.296 58.720 56.400 0.041 0.000 0.860 369 E CB -0.796 28.927 29.700 0.037 0.000 0.755 369 E HN 0.968 nan 8.360 nan 0.000 0.462 370 S N 0.229 115.949 115.700 0.033 0.000 2.421 370 S HA -0.261 4.209 4.470 -0.000 0.000 0.239 370 S C 0.690 175.308 174.600 0.030 0.000 1.054 370 S CA 1.821 60.038 58.200 0.029 0.000 1.035 370 S CB -0.375 62.842 63.200 0.028 0.000 0.840 370 S HN 0.316 nan 8.310 nan 0.000 0.475 371 K N 0.191 120.611 120.400 0.034 0.000 2.607 371 K HA 0.624 4.944 4.320 -0.000 0.000 0.287 371 K C -1.187 175.436 176.600 0.039 0.000 0.996 371 K CA -0.686 55.621 56.287 0.034 0.000 0.876 371 K CB 0.335 32.855 32.500 0.032 0.000 1.496 371 K HN 0.351 nan 8.250 nan 0.000 0.415 372 N N -1.016 117.706 118.700 0.037 0.000 3.002 372 N HA 0.726 5.466 4.740 -0.000 0.000 0.331 372 N C -1.305 174.228 175.510 0.039 0.000 1.384 372 N CA -0.973 52.102 53.050 0.041 0.000 0.780 372 N CB 1.302 39.813 38.487 0.040 0.000 1.492 372 N HN 0.457 nan 8.380 nan 0.000 0.608 373 V N -1.543 118.395 119.914 0.040 0.000 2.914 373 V HA 0.582 4.702 4.120 -0.000 0.000 0.314 373 V C -1.266 174.849 176.094 0.036 0.000 1.084 373 V CA -0.866 61.456 62.300 0.037 0.000 0.963 373 V CB 1.707 33.552 31.823 0.037 0.000 1.025 373 V HN 0.819 nan 8.190 nan 0.000 0.432 374 K N 4.648 125.067 120.400 0.031 0.000 2.413 374 K HA 0.612 4.932 4.320 -0.000 0.000 0.257 374 K C -1.693 174.925 176.600 0.031 0.000 0.946 374 K CA -0.718 55.587 56.287 0.030 0.000 0.823 374 K CB 1.683 34.197 32.500 0.024 0.000 1.109 374 K HN 0.622 nan 8.250 nan 0.000 0.427 375 L N 3.573 124.817 121.223 0.035 0.000 2.282 375 L HA 0.471 4.810 4.340 -0.000 0.000 0.288 375 L C -0.911 175.980 176.870 0.035 0.000 1.033 375 L CA 0.338 55.200 54.840 0.037 0.000 0.807 375 L CB 1.759 43.844 42.059 0.044 0.000 1.209 375 L HN 0.658 nan 8.230 nan 0.000 0.423 376 T N 5.654 120.228 114.554 0.033 0.000 2.930 376 T HA 0.601 4.951 4.350 -0.000 0.000 0.313 376 T C -1.268 173.453 174.700 0.035 0.000 1.019 376 T CA -0.403 61.716 62.100 0.032 0.000 1.004 376 T CB 0.325 69.207 68.868 0.024 0.000 0.987 376 T HN 0.622 nan 8.240 nan 0.000 0.456 377 V N 3.277 123.216 119.914 0.042 0.000 2.409 377 V HA 0.872 4.992 4.120 -0.000 0.000 0.291 377 V C -0.059 176.063 176.094 0.045 0.000 1.020 377 V CA -0.853 61.476 62.300 0.049 0.000 0.848 377 V CB 1.376 33.238 31.823 0.065 0.000 0.990 377 V HN 0.889 nan 8.190 nan 0.000 0.430 378 S N 3.828 119.549 115.700 0.035 0.000 2.516 378 S HA 0.589 5.058 4.470 -0.000 0.000 0.268 378 S C -0.515 174.096 174.600 0.019 0.000 1.251 378 S CA -0.711 57.505 58.200 0.027 0.000 1.153 378 S CB 0.097 63.306 63.200 0.015 0.000 1.009 378 S HN 0.787 nan 8.310 nan 0.000 0.479 379 N N 1.425 120.147 118.700 0.037 0.000 2.362 379 N HA 0.711 5.451 4.740 -0.000 0.000 0.299 379 N C -0.697 174.834 175.510 0.035 0.000 1.170 379 N CA -0.554 52.513 53.050 0.029 0.000 0.825 379 N CB 2.175 40.717 38.487 0.092 0.000 1.299 379 N HN 0.630 nan 8.380 nan 0.000 0.502 380 V N -1.483 118.444 119.914 0.021 0.000 2.962 380 V HA 0.592 4.711 4.120 -0.000 0.000 0.313 380 V C -0.082 176.036 176.094 0.039 0.000 1.099 380 V CA -1.039 61.279 62.300 0.029 0.000 0.971 380 V CB 1.544 33.373 31.823 0.011 0.000 1.028 380 V HN 0.419 nan 8.190 nan 0.000 0.430 381 L N 2.422 123.676 121.223 0.052 0.000 2.436 381 L HA 0.559 4.899 4.340 -0.000 0.000 0.265 381 L C 0.254 177.154 176.870 0.050 0.000 1.168 381 L CA -0.157 54.720 54.840 0.062 0.000 0.815 381 L CB 0.958 43.066 42.059 0.081 0.000 1.109 381 L HN 0.875 nan 8.230 nan 0.000 0.462 382 K N 2.839 123.267 120.400 0.047 0.000 2.731 382 K HA 0.149 4.469 4.320 -0.000 0.000 0.257 382 K C -0.821 175.815 176.600 0.060 0.000 1.032 382 K CA -0.535 55.777 56.287 0.042 0.000 0.983 382 K CB 1.289 33.799 32.500 0.017 0.000 1.248 382 K HN 0.603 nan 8.250 nan 0.000 0.484 383 E N 6.041 126.308 120.200 0.112 0.000 2.415 383 E HA 0.039 4.388 4.350 -0.000 0.000 0.260 383 E C -0.141 176.547 176.600 0.146 0.000 1.016 383 E CA -0.050 56.452 56.400 0.170 0.000 0.924 383 E CB 0.360 30.206 29.700 0.243 0.000 0.961 383 E HN 0.544 nan 8.360 nan 0.000 0.459 384 I N 0.747 121.381 120.570 0.107 0.000 3.067 384 I HA 0.517 4.686 4.170 -0.000 0.000 0.312 384 I C -0.666 175.424 176.117 -0.045 0.000 1.073 384 I CA -1.262 60.060 61.300 0.037 0.000 1.016 384 I CB 1.872 39.854 38.000 -0.029 0.000 1.227 384 I HN 0.257 nan 8.210 nan 0.000 0.456 385 K N 3.592 123.893 120.400 -0.166 0.000 2.404 385 K HA 0.543 4.863 4.320 -0.000 0.000 0.257 385 K C -0.869 175.601 176.600 -0.217 0.000 1.026 385 K CA -0.579 55.438 56.287 -0.450 0.000 0.951 385 K CB 0.831 32.990 32.500 -0.567 0.000 1.203 385 K HN 0.572 nan 8.250 nan 0.000 0.446 386 I N 3.768 124.262 120.570 -0.126 0.000 2.696 386 I HA 0.069 4.239 4.170 -0.000 0.000 0.284 386 I C -0.155 175.979 176.117 0.029 0.000 1.129 386 I CA -0.477 60.828 61.300 0.008 0.000 1.410 386 I CB 0.558 38.621 38.000 0.105 0.000 1.399 386 I HN 0.387 nan 8.210 nan 0.000 0.579 387 L N 6.687 127.940 121.223 0.050 0.000 2.442 387 L HA 0.403 4.743 4.340 -0.000 0.000 0.261 387 L C -0.679 176.217 176.870 0.043 0.000 1.000 387 L CA -0.220 54.646 54.840 0.043 0.000 0.882 387 L CB 0.508 42.567 42.059 -0.001 0.000 1.207 387 L HN 0.461 nan 8.230 nan 0.000 0.443 388 N N 5.339 124.102 118.700 0.106 0.000 2.514 388 N HA 0.395 5.135 4.740 -0.000 0.000 0.277 388 N C -0.727 174.678 175.510 -0.175 0.000 1.126 388 N CA -0.228 52.799 53.050 -0.038 0.000 0.978 388 N CB 1.856 40.426 38.487 0.137 0.000 1.106 388 N HN 0.351 nan 8.380 nan 0.000 0.461 389 I N 3.273 123.586 120.570 -0.428 0.000 2.389 389 I HA 0.352 4.521 4.170 -0.000 0.000 0.288 389 I C 0.120 175.873 176.117 -0.607 0.000 0.999 389 I CA -0.436 60.648 61.300 -0.360 0.000 1.129 389 I CB 0.187 38.026 38.000 -0.267 0.000 1.288 389 I HN 0.286 nan 8.210 nan 0.000 0.444 390 F N 2.852 122.407 119.950 -0.659 0.000 2.476 390 F HA 0.846 5.373 4.527 -0.000 0.000 0.358 390 F C 0.915 176.346 175.800 -0.614 0.000 1.091 390 F CA -0.549 56.906 58.000 -0.910 0.000 1.131 390 F CB 1.250 39.086 39.000 -1.939 0.000 1.653 390 F HN 0.473 nan 8.300 nan 0.000 0.518 391 G N 0.277 108.816 108.800 -0.434 0.000 1.950 391 G HA2 0.462 4.421 3.960 -0.000 0.000 0.231 391 G HA3 0.462 4.421 3.960 -0.000 0.000 0.231 391 G C -1.830 173.094 174.900 0.041 0.000 1.685 391 G CA -0.415 44.583 45.100 -0.171 0.000 0.922 391 G HN 0.836 nan 8.290 nan 0.000 0.717 392 V N 0.319 120.404 119.914 0.284 0.000 3.177 392 V HA 0.912 5.031 4.120 -0.000 0.000 0.319 392 V C 0.150 176.397 176.094 0.255 0.000 1.125 392 V CA -1.462 61.026 62.300 0.314 0.000 1.029 392 V CB 2.096 34.209 31.823 0.483 0.000 1.119 392 V HN 0.741 nan 8.190 nan 0.000 0.452 393 I N 1.176 121.873 120.570 0.211 0.000 2.623 393 I HA 0.358 4.528 4.170 -0.000 0.000 0.275 393 I C -0.275 175.899 176.117 0.096 0.000 1.108 393 I CA -0.756 60.644 61.300 0.167 0.000 1.120 393 I CB 1.237 39.358 38.000 0.201 0.000 1.249 393 I HN 0.664 nan 8.210 nan 0.000 0.500 394 K N 3.211 123.655 120.400 0.072 0.000 2.543 394 K HA 0.046 4.365 4.320 -0.000 0.000 0.279 394 K C 0.671 177.250 176.600 -0.036 0.000 1.001 394 K CA 0.532 56.810 56.287 -0.014 0.000 1.088 394 K CB 0.376 32.845 32.500 -0.052 0.000 0.863 394 K HN 0.641 nan 8.250 nan 0.000 0.488 395 G N 1.700 110.468 108.800 -0.052 0.000 2.588 395 G HA2 0.260 4.220 3.960 -0.000 0.000 0.278 395 G HA3 0.260 4.220 3.960 -0.000 0.000 0.278 395 G C -0.094 174.872 174.900 0.109 0.000 1.307 395 G CA -0.466 44.689 45.100 0.091 0.000 1.016 395 G HN 0.556 nan 8.290 nan 0.000 0.503 396 F N -1.871 118.035 119.950 -0.074 0.000 2.727 396 F HA 0.254 4.781 4.527 -0.000 0.000 0.302 396 F C 1.853 177.629 175.800 -0.041 0.000 1.107 396 F CA -0.037 57.933 58.000 -0.050 0.000 1.277 396 F CB 0.718 39.692 39.000 -0.043 0.000 1.079 396 F HN 0.164 nan 8.300 nan 0.000 0.594 397 V N -1.719 118.274 119.914 0.131 0.000 3.251 397 V HA 0.141 4.261 4.120 -0.000 0.000 0.239 397 V C 0.427 176.516 176.094 -0.009 0.000 1.332 397 V CA 0.236 62.570 62.300 0.056 0.000 1.224 397 V CB 0.636 32.494 31.823 0.058 0.000 1.004 397 V HN 0.008 nan 8.190 nan 0.000 0.464 398 E N 0.352 120.538 120.200 -0.024 0.000 3.582 398 E HA 0.209 4.559 4.350 -0.000 0.000 0.217 398 E C -2.081 174.442 176.600 -0.129 0.000 1.092 398 E CA -1.416 54.919 56.400 -0.109 0.000 1.365 398 E CB 1.111 30.768 29.700 -0.072 0.000 1.278 398 E HN 0.390 nan 8.360 nan 0.000 0.439 399 P HA -0.202 nan 4.420 nan 0.000 0.219 399 P C 0.318 177.453 177.300 -0.275 0.000 1.145 399 P CA 1.276 64.276 63.100 -0.166 0.000 0.813 399 P CB 0.179 31.811 31.700 -0.114 0.000 0.771 400 D N -2.739 117.544 120.400 -0.196 0.000 2.388 400 D HA 0.064 4.703 4.640 -0.000 0.000 0.221 400 D C 0.008 176.379 176.300 0.119 0.000 1.133 400 D CA 0.182 54.157 54.000 -0.041 0.000 0.831 400 D CB -0.243 40.575 40.800 0.029 0.000 0.962 400 D HN 0.370 nan 8.370 nan 0.000 0.502 401 H N -0.064 118.950 119.070 -0.094 0.000 2.708 401 H HA 0.223 4.779 4.556 -0.000 0.000 0.320 401 H C -0.593 174.793 175.328 0.096 0.000 0.991 401 H CA -0.623 55.537 56.048 0.186 0.000 1.243 401 H CB 0.872 30.765 29.762 0.220 0.000 1.446 401 H HN -0.108 nan 8.280 nan 0.000 0.502 402 Y N 1.396 121.857 120.300 0.269 0.000 2.545 402 Y HA 0.368 4.917 4.550 -0.000 0.000 0.324 402 Y C 0.209 175.849 175.900 -0.434 0.000 1.220 402 Y CA -1.029 57.087 58.100 0.027 0.000 1.290 402 Y CB 1.207 39.712 38.460 0.074 0.000 1.355 402 Y HN 0.250 nan 8.280 nan 0.000 0.516 403 V N 2.069 121.833 119.914 -0.250 0.000 2.383 403 V HA 0.190 4.309 4.120 -0.000 0.000 0.264 403 V C -0.739 175.232 176.094 -0.206 0.000 1.001 403 V CA -0.937 61.082 62.300 -0.468 0.000 0.828 403 V CB 0.469 32.036 31.823 -0.425 0.000 1.069 403 V HN 0.535 nan 8.190 nan 0.000 0.451 404 V N 4.242 124.151 119.914 -0.009 0.000 2.509 404 V HA 0.066 4.186 4.120 -0.000 0.000 0.297 404 V C 0.365 176.397 176.094 -0.104 0.000 1.014 404 V CA 0.299 62.669 62.300 0.117 0.000 1.127 404 V CB 1.100 33.234 31.823 0.519 0.000 0.925 404 V HN 0.539 nan 8.190 nan 0.000 0.480 405 V N 5.621 125.404 119.914 -0.218 0.000 2.304 405 V HA 0.659 4.778 4.120 -0.000 0.000 0.278 405 V C 0.727 176.719 176.094 -0.170 0.000 1.018 405 V CA -0.058 62.064 62.300 -0.297 0.000 0.814 405 V CB 1.131 32.767 31.823 -0.311 0.000 1.021 405 V HN 0.971 nan 8.190 nan 0.000 0.440 406 G N 3.109 111.819 108.800 -0.149 0.000 2.521 406 G HA2 0.864 4.824 3.960 -0.000 0.000 0.323 406 G HA3 0.864 4.824 3.960 -0.000 0.000 0.323 406 G C -0.685 174.245 174.900 0.050 0.000 1.211 406 G CA -0.358 44.817 45.100 0.125 0.000 0.979 406 G HN 1.251 nan 8.290 nan 0.000 0.490 407 A N -0.168 122.687 122.820 0.058 0.000 2.521 407 A HA 0.518 4.837 4.320 -0.000 0.000 0.298 407 A C -0.447 177.197 177.584 0.101 0.000 1.044 407 A CA -0.527 51.545 52.037 0.059 0.000 0.911 407 A CB 0.810 19.787 19.000 -0.039 0.000 1.376 407 A HN 0.904 nan 8.150 nan 0.000 0.392 408 Q N 2.001 121.919 119.800 0.197 0.000 2.315 408 Q HA 0.207 4.547 4.340 -0.000 0.000 0.289 408 Q C 0.715 176.767 176.000 0.088 0.000 1.044 408 Q CA 0.652 56.571 55.803 0.193 0.000 0.920 408 Q CB 0.505 29.348 28.738 0.176 0.000 1.214 408 Q HN 0.760 nan 8.270 nan 0.000 0.392 409 R N 2.892 123.437 120.500 0.075 0.000 2.344 409 R HA 0.058 4.398 4.340 -0.000 0.000 0.209 409 R C -0.270 176.058 176.300 0.046 0.000 0.886 409 R CA 0.428 56.537 56.100 0.015 0.000 1.040 409 R CB 0.477 30.747 30.300 -0.050 0.000 1.114 409 R HN 0.884 nan 8.270 nan 0.000 0.547 410 D N 0.021 120.480 120.400 0.099 0.000 2.437 410 D HA 0.515 5.155 4.640 -0.000 0.000 0.259 410 D C -0.787 175.594 176.300 0.135 0.000 1.118 410 D CA -0.476 53.594 54.000 0.118 0.000 1.017 410 D CB 1.916 42.813 40.800 0.162 0.000 1.120 410 D HN 0.125 nan 8.370 nan 0.000 0.541 411 A N -0.921 121.983 122.820 0.140 0.000 2.583 411 A HA 0.275 4.595 4.320 -0.000 0.000 0.292 411 A C -0.807 176.868 177.584 0.150 0.000 1.045 411 A CA -0.806 51.325 52.037 0.157 0.000 0.672 411 A CB 0.198 19.282 19.000 0.139 0.000 1.283 411 A HN 0.702 nan 8.150 nan 0.000 0.419 412 W N 1.850 123.106 121.300 -0.073 0.000 2.474 412 W HA 0.324 4.984 4.660 -0.000 0.000 0.319 412 W C 1.492 177.979 176.519 -0.053 0.000 1.165 412 W CA 2.791 60.016 57.345 -0.199 0.000 1.356 412 W CB -0.540 28.696 29.460 -0.375 0.000 1.172 412 W HN 0.995 nan 8.180 nan 0.000 0.478 413 G N 0.112 109.009 108.800 0.160 0.000 2.580 413 G HA2 0.064 4.024 3.960 -0.000 0.000 0.225 413 G HA3 0.064 4.024 3.960 -0.000 0.000 0.225 413 G C -1.748 173.161 174.900 0.015 0.000 1.521 413 G CA 0.327 45.410 45.100 -0.028 0.000 1.068 413 G HN 0.101 nan 8.290 nan 0.000 0.564 414 P HA 0.059 nan 4.420 nan 0.000 0.240 414 P C 1.114 178.477 177.300 0.106 0.000 1.190 414 P CA 1.067 64.208 63.100 0.068 0.000 0.781 414 P CB 0.065 31.810 31.700 0.076 0.000 0.931 415 G N 1.246 110.131 108.800 0.141 0.000 2.396 415 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.288 415 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.288 415 G C 1.117 176.086 174.900 0.115 0.000 0.926 415 G CA 0.356 45.544 45.100 0.147 0.000 1.211 415 G HN 0.494 nan 8.290 nan 0.000 0.496 416 A N -0.061 122.839 122.820 0.133 0.000 1.930 416 A HA 0.307 4.627 4.320 -0.000 0.000 0.217 416 A C 2.679 180.302 177.584 0.065 0.000 1.175 416 A CA 2.199 54.312 52.037 0.128 0.000 0.627 416 A CB -0.378 18.738 19.000 0.193 0.000 0.815 416 A HN 1.742 nan 8.150 nan 0.000 0.443 417 A N -0.115 122.707 122.820 0.005 0.000 1.862 417 A HA 0.075 4.395 4.320 -0.000 0.000 0.211 417 A C 2.017 179.568 177.584 -0.055 0.000 1.220 417 A CA 1.639 53.602 52.037 -0.123 0.000 0.616 417 A CB -0.474 18.256 19.000 -0.449 0.000 0.878 417 A HN 0.441 nan 8.150 nan 0.000 0.453 418 K N -0.347 120.054 120.400 0.001 0.000 2.127 418 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 418 K C 1.788 178.421 176.600 0.055 0.000 1.047 418 K CA 2.207 58.524 56.287 0.050 0.000 0.927 418 K CB -0.151 32.419 32.500 0.118 0.000 0.716 418 K HN 0.408 nan 8.250 nan 0.000 0.450 419 S N -2.420 113.314 115.700 0.056 0.000 2.653 419 S HA 0.236 4.706 4.470 -0.000 0.000 0.259 419 S C 1.488 176.104 174.600 0.026 0.000 1.076 419 S CA 0.123 58.352 58.200 0.049 0.000 1.051 419 S CB 0.018 63.259 63.200 0.067 0.000 0.994 419 S HN 0.478 nan 8.310 nan 0.000 0.552 420 G N 2.199 111.021 108.800 0.037 0.000 2.575 420 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.215 420 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.215 420 G C 1.395 176.306 174.900 0.017 0.000 1.262 420 G CA 1.430 46.552 45.100 0.037 0.000 0.807 420 G HN 0.400 nan 8.290 nan 0.000 0.567 421 V N 2.016 121.944 119.914 0.023 0.000 2.277 421 V HA -0.227 3.893 4.120 -0.000 0.000 0.253 421 V C 3.095 179.167 176.094 -0.036 0.000 1.067 421 V CA 2.339 64.640 62.300 0.002 0.000 1.047 421 V CB -1.483 30.343 31.823 0.006 0.000 0.649 421 V HN 0.514 nan 8.190 nan 0.000 0.447 422 G N -0.415 108.369 108.800 -0.028 0.000 2.604 422 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.216 422 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.216 422 G C 1.642 176.509 174.900 -0.055 0.000 1.265 422 G CA 1.629 46.704 45.100 -0.041 0.000 0.804 422 G HN 0.448 nan 8.290 nan 0.000 0.579 423 T N 1.778 116.302 114.554 -0.049 0.000 2.778 423 T HA -0.091 4.259 4.350 -0.000 0.000 0.269 423 T C 2.718 177.372 174.700 -0.077 0.000 1.050 423 T CA 1.745 63.801 62.100 -0.073 0.000 1.137 423 T CB -0.445 68.373 68.868 -0.085 0.000 0.860 423 T HN 0.439 nan 8.240 nan 0.000 0.468 424 A N 1.233 124.013 122.820 -0.066 0.000 1.865 424 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 424 A C 2.304 179.792 177.584 -0.160 0.000 1.191 424 A CA 1.389 53.383 52.037 -0.072 0.000 0.623 424 A CB -0.850 18.123 19.000 -0.045 0.000 0.826 424 A HN 0.496 nan 8.150 nan 0.000 0.444 425 L N -0.857 120.238 121.223 -0.213 0.000 2.056 425 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 425 L C 2.612 179.396 176.870 -0.143 0.000 1.078 425 L CA 1.028 55.691 54.840 -0.296 0.000 0.749 425 L CB -0.543 41.391 42.059 -0.208 0.000 0.901 425 L HN 0.447 nan 8.230 nan 0.000 0.433 426 L N -0.161 121.021 121.223 -0.068 0.000 1.990 426 L HA -0.296 4.044 4.340 -0.000 0.000 0.213 426 L C 2.570 179.434 176.870 -0.009 0.000 1.072 426 L CA 1.691 56.538 54.840 0.010 0.000 0.755 426 L CB -0.151 41.915 42.059 0.012 0.000 0.889 426 L HN 0.241 nan 8.230 nan 0.000 0.432 427 L N -0.519 120.695 121.223 -0.014 0.000 1.961 427 L HA -0.253 4.086 4.340 -0.000 0.000 0.210 427 L C 2.715 179.513 176.870 -0.120 0.000 1.072 427 L CA 1.281 56.146 54.840 0.042 0.000 0.749 427 L CB -0.697 41.385 42.059 0.037 0.000 0.889 427 L HN 0.148 nan 8.230 nan 0.000 0.432 428 K N -0.135 120.219 120.400 -0.077 0.000 2.218 428 K HA -0.176 4.143 4.320 -0.000 0.000 0.205 428 K C 1.973 178.513 176.600 -0.099 0.000 1.046 428 K CA 1.222 57.479 56.287 -0.050 0.000 0.933 428 K CB -0.600 31.961 32.500 0.102 0.000 0.728 428 K HN 0.133 nan 8.250 nan 0.000 0.454 429 L N 0.388 121.554 121.223 -0.095 0.000 2.179 429 L HA 0.052 4.391 4.340 -0.000 0.000 0.208 429 L C 2.023 178.907 176.870 0.023 0.000 1.096 429 L CA 1.373 56.254 54.840 0.068 0.000 0.779 429 L CB -0.661 41.504 42.059 0.176 0.000 0.922 429 L HN 0.097 nan 8.230 nan 0.000 0.443 430 A N -1.347 121.166 122.820 -0.511 0.000 1.930 430 A HA -0.197 4.123 4.320 -0.000 0.000 0.215 430 A C 2.238 179.363 177.584 -0.765 0.000 1.176 430 A CA 1.217 52.524 52.037 -1.216 0.000 0.632 430 A CB -0.508 17.494 19.000 -1.663 0.000 0.819 430 A HN 0.546 nan 8.150 nan 0.000 0.445 431 Q N -0.639 118.561 119.800 -1.000 0.000 2.135 431 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 431 Q C 2.027 177.783 176.000 -0.406 0.000 0.981 431 Q CA 1.979 57.118 55.803 -1.107 0.000 0.856 431 Q CB -0.217 27.903 28.738 -1.029 0.000 0.902 431 Q HN 0.704 nan 8.270 nan 0.000 0.425 432 M N -0.742 118.703 119.600 -0.259 0.000 2.064 432 M HA -0.109 4.370 4.480 -0.000 0.000 0.260 432 M C 1.911 178.116 176.300 -0.159 0.000 1.073 432 M CA 1.429 56.607 55.300 -0.203 0.000 1.124 432 M CB -0.368 32.069 32.600 -0.272 0.000 1.326 432 M HN 0.197 nan 8.290 nan 0.000 0.410 433 F N 1.071 121.061 119.950 0.067 0.000 2.126 433 F HA -0.252 4.275 4.527 -0.000 0.000 0.299 433 F C 3.003 178.915 175.800 0.186 0.000 1.096 433 F CA 1.859 59.996 58.000 0.228 0.000 1.255 433 F CB -0.974 38.249 39.000 0.373 0.000 0.997 433 F HN 0.265 nan 8.300 nan 0.000 0.479 434 S N -0.448 115.393 115.700 0.235 0.000 2.359 434 S HA -0.279 4.191 4.470 -0.000 0.000 0.224 434 S C 1.762 176.442 174.600 0.133 0.000 1.035 434 S CA 1.579 59.879 58.200 0.166 0.000 1.018 434 S CB -0.948 62.306 63.200 0.090 0.000 0.876 434 S HN 0.403 nan 8.310 nan 0.000 0.448 435 D N 1.352 121.794 120.400 0.069 0.000 2.092 435 D HA -0.095 4.544 4.640 -0.000 0.000 0.193 435 D C 2.098 178.444 176.300 0.076 0.000 0.994 435 D CA 1.701 55.733 54.000 0.053 0.000 0.828 435 D CB -0.291 40.508 40.800 -0.001 0.000 0.963 435 D HN 0.374 nan 8.370 nan 0.000 0.450 436 M N -0.410 119.238 119.600 0.080 0.000 2.144 436 M HA -0.172 4.308 4.480 -0.000 0.000 0.260 436 M C 2.143 178.581 176.300 0.231 0.000 1.067 436 M CA 0.843 56.220 55.300 0.128 0.000 1.095 436 M CB -0.157 32.521 32.600 0.129 0.000 1.365 436 M HN 0.052 nan 8.290 nan 0.000 0.406 437 V N 0.172 120.237 119.914 0.251 0.000 2.358 437 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 437 V C 2.333 178.527 176.094 0.165 0.000 1.047 437 V CA 1.202 63.620 62.300 0.197 0.000 1.035 437 V CB -0.489 31.445 31.823 0.185 0.000 0.658 437 V HN 0.366 nan 8.190 nan 0.000 0.452 438 L N -0.241 121.067 121.223 0.142 0.000 2.049 438 L HA -0.032 4.308 4.340 -0.000 0.000 0.203 438 L C 2.344 179.268 176.870 0.091 0.000 1.074 438 L CA 1.944 56.853 54.840 0.115 0.000 0.749 438 L CB -1.257 40.862 42.059 0.100 0.000 0.907 438 L HN 0.335 nan 8.230 nan 0.000 0.439 439 K N -0.415 120.031 120.400 0.077 0.000 2.067 439 K HA -0.042 4.278 4.320 -0.000 0.000 0.203 439 K C 1.449 178.077 176.600 0.047 0.000 1.048 439 K CA 0.884 57.203 56.287 0.054 0.000 0.954 439 K CB 0.047 32.570 32.500 0.038 0.000 0.737 439 K HN 0.240 nan 8.250 nan 0.000 0.444 440 D N -0.304 120.127 120.400 0.051 0.000 2.355 440 D HA 0.008 4.648 4.640 -0.000 0.000 0.218 440 D C 0.983 177.316 176.300 0.054 0.000 1.004 440 D CA 0.926 54.948 54.000 0.036 0.000 0.880 440 D CB 0.666 41.471 40.800 0.009 0.000 0.911 440 D HN 0.463 nan 8.370 nan 0.000 0.528 441 G N 1.408 110.257 108.800 0.082 0.000 2.141 441 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.242 441 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.242 441 G C 0.093 175.048 174.900 0.092 0.000 0.982 441 G CA -0.242 44.898 45.100 0.067 0.000 0.662 441 G HN 0.310 nan 8.290 nan 0.000 0.527 442 F N 2.144 122.064 119.950 -0.051 0.000 2.541 442 F HA 0.519 5.046 4.527 -0.000 0.000 0.378 442 F C 0.716 176.410 175.800 -0.177 0.000 1.068 442 F CA -0.631 57.329 58.000 -0.067 0.000 1.199 442 F CB 0.552 39.558 39.000 0.010 0.000 1.091 442 F HN 0.232 nan 8.300 nan 0.000 0.555 443 Q N 7.725 127.318 119.800 -0.345 0.000 2.815 443 Q HA 0.271 4.611 4.340 -0.000 0.000 0.329 443 Q C -2.344 173.160 176.000 -0.828 0.000 1.037 443 Q CA -1.993 53.168 55.803 -1.070 0.000 1.002 443 Q CB 0.436 28.528 28.738 -1.077 0.000 1.274 443 Q HN 0.464 nan 8.270 nan 0.000 0.452 444 P HA -0.096 nan 4.420 nan 0.000 0.257 444 P C 0.236 177.488 177.300 -0.080 0.000 1.162 444 P CA 0.724 63.579 63.100 -0.407 0.000 0.762 444 P CB 0.843 32.274 31.700 -0.448 0.000 0.753 445 S N 2.661 118.372 115.700 0.018 0.000 2.481 445 S HA -0.031 4.439 4.470 -0.000 0.000 0.231 445 S C 0.738 175.387 174.600 0.082 0.000 0.996 445 S CA 0.979 59.218 58.200 0.063 0.000 0.942 445 S CB -0.116 63.111 63.200 0.045 0.000 0.768 445 S HN 0.423 nan 8.310 nan 0.000 0.520 446 R N 1.198 121.754 120.500 0.093 0.000 2.628 446 R HA 0.360 4.700 4.340 -0.000 0.000 0.288 446 R C -0.455 175.861 176.300 0.028 0.000 0.980 446 R CA -0.377 55.782 56.100 0.099 0.000 0.891 446 R CB 1.813 32.277 30.300 0.274 0.000 1.188 446 R HN 0.216 nan 8.270 nan 0.000 0.450 447 S N 2.414 118.034 115.700 -0.133 0.000 2.573 447 S HA 0.280 4.749 4.470 -0.000 0.000 0.277 447 S C 0.465 174.992 174.600 -0.121 0.000 1.346 447 S CA -0.334 57.752 58.200 -0.190 0.000 1.034 447 S CB 0.501 63.433 63.200 -0.446 0.000 0.879 447 S HN 0.409 nan 8.310 nan 0.000 0.528 448 I N 1.531 122.056 120.570 -0.076 0.000 2.562 448 I HA 0.538 4.707 4.170 -0.000 0.000 0.301 448 I C -0.310 175.728 176.117 -0.132 0.000 1.003 448 I CA -0.793 60.381 61.300 -0.210 0.000 1.127 448 I CB 1.727 39.483 38.000 -0.407 0.000 1.304 448 I HN 0.679 nan 8.210 nan 0.000 0.446 449 I N 5.491 125.926 120.570 -0.225 0.000 2.517 449 I HA 0.384 4.554 4.170 -0.000 0.000 0.280 449 I C -1.314 174.631 176.117 -0.287 0.000 1.061 449 I CA -0.347 60.915 61.300 -0.064 0.000 1.091 449 I CB 0.623 38.774 38.000 0.252 0.000 1.205 449 I HN 0.316 nan 8.210 nan 0.000 0.459 450 F N 6.391 126.219 119.950 -0.203 0.000 2.399 450 F HA 0.676 5.202 4.527 -0.000 0.000 0.342 450 F C 0.773 176.295 175.800 -0.462 0.000 1.106 450 F CA -0.326 57.486 58.000 -0.314 0.000 1.196 450 F CB 1.278 40.030 39.000 -0.414 0.000 1.163 450 F HN 0.494 nan 8.300 nan 0.000 0.547 451 A N 1.553 124.105 122.820 -0.448 0.000 2.429 451 A HA 0.539 4.859 4.320 -0.000 0.000 0.289 451 A C -0.855 176.011 177.584 -1.196 0.000 1.043 451 A CA -0.612 50.725 52.037 -1.166 0.000 0.722 451 A CB 1.347 19.177 19.000 -1.950 0.000 1.243 451 A HN 0.565 nan 8.150 nan 0.000 0.415 452 S N 2.715 117.836 115.700 -0.965 0.000 2.434 452 S HA 0.508 4.978 4.470 -0.000 0.000 0.318 452 S C -0.378 173.827 174.600 -0.659 0.000 1.062 452 S CA -0.427 57.377 58.200 -0.660 0.000 1.116 452 S CB -0.332 62.643 63.200 -0.374 0.000 0.977 452 S HN 0.504 nan 8.310 nan 0.000 0.480 453 W N 2.738 123.944 121.300 -0.157 0.000 2.049 453 W HA 0.555 5.215 4.660 -0.000 0.000 0.356 453 W C 1.052 177.555 176.519 -0.027 0.000 1.323 453 W CA -0.487 56.801 57.345 -0.094 0.000 1.336 453 W CB 0.297 29.749 29.460 -0.014 0.000 1.176 453 W HN 0.502 nan 8.180 nan 0.000 0.623 454 S N -0.492 115.375 115.700 0.277 0.000 2.697 454 S HA 0.544 5.013 4.470 -0.000 0.000 0.289 454 S C 0.044 174.775 174.600 0.217 0.000 1.149 454 S CA -0.096 58.217 58.200 0.189 0.000 0.850 454 S CB 1.078 64.349 63.200 0.117 0.000 1.151 454 S HN 1.533 nan 8.310 nan 0.000 0.491 455 A N -0.035 122.912 122.820 0.211 0.000 2.826 455 A HA -0.156 4.163 4.320 -0.000 0.000 0.274 455 A C 1.386 179.190 177.584 0.366 0.000 1.443 455 A CA 1.751 53.948 52.037 0.266 0.000 0.833 455 A CB -2.294 16.784 19.000 0.130 0.000 1.023 455 A HN 1.591 nan 8.150 nan 0.000 0.600 456 G N -1.019 107.971 108.800 0.317 0.000 2.448 456 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.218 456 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.218 456 G C 0.947 176.014 174.900 0.278 0.000 1.135 456 G CA 1.104 46.371 45.100 0.279 0.000 0.784 456 G HN 0.614 nan 8.290 nan 0.000 0.543 457 D N -0.040 120.533 120.400 0.288 0.000 2.378 457 D HA -0.013 4.627 4.640 -0.000 0.000 0.222 457 D C 0.561 176.749 176.300 -0.187 0.000 0.980 457 D CA 0.460 54.525 54.000 0.107 0.000 0.907 457 D CB -0.011 40.859 40.800 0.117 0.000 0.899 457 D HN 0.376 nan 8.370 nan 0.000 0.527 458 F N -0.602 119.388 119.950 0.066 0.000 2.708 458 F HA 0.341 4.868 4.527 -0.000 0.000 0.300 458 F C 1.412 177.281 175.800 0.116 0.000 1.118 458 F CA -0.311 57.616 58.000 -0.121 0.000 1.307 458 F CB 0.810 39.907 39.000 0.162 0.000 0.986 458 F HN -0.132 nan 8.300 nan 0.000 0.522 459 G N -0.426 108.686 108.800 0.520 0.000 2.237 459 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.153 459 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.153 459 G C 0.639 175.699 174.900 0.266 0.000 1.039 459 G CA -0.204 45.222 45.100 0.544 0.000 0.719 459 G HN 0.206 nan 8.290 nan 0.000 0.491 460 S N -2.695 113.138 115.700 0.222 0.000 3.476 460 S HA -0.337 4.133 4.470 -0.000 0.000 0.309 460 S C 2.141 176.790 174.600 0.081 0.000 1.222 460 S CA 1.357 59.629 58.200 0.120 0.000 0.922 460 S CB -1.758 61.475 63.200 0.054 0.000 1.023 460 S HN 1.545 nan 8.310 nan 0.000 0.591 461 V N 0.647 120.651 119.914 0.150 0.000 2.357 461 V HA -0.344 3.776 4.120 -0.000 0.000 0.257 461 V C 2.660 178.776 176.094 0.036 0.000 1.082 461 V CA 2.616 64.972 62.300 0.093 0.000 1.078 461 V CB -1.521 30.389 31.823 0.144 0.000 0.663 461 V HN 0.767 nan 8.190 nan 0.000 0.455 462 G N -0.748 108.116 108.800 0.106 0.000 2.434 462 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.214 462 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.214 462 G C 1.764 176.740 174.900 0.127 0.000 1.202 462 G CA 0.984 46.182 45.100 0.164 0.000 0.788 462 G HN 0.641 nan 8.290 nan 0.000 0.539 463 A N 0.289 123.045 122.820 -0.108 0.000 1.902 463 A HA 0.001 4.321 4.320 -0.000 0.000 0.217 463 A C 2.543 179.926 177.584 -0.334 0.000 1.181 463 A CA 2.532 54.116 52.037 -0.754 0.000 0.623 463 A CB -1.039 17.035 19.000 -1.543 0.000 0.818 463 A HN 0.322 nan 8.150 nan 0.000 0.443 464 T N 0.415 114.840 114.554 -0.214 0.000 2.622 464 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 464 T C 1.645 176.248 174.700 -0.162 0.000 1.047 464 T CA 1.479 63.464 62.100 -0.191 0.000 1.159 464 T CB -0.350 68.423 68.868 -0.158 0.000 0.863 464 T HN 0.491 nan 8.240 nan 0.000 0.422 465 E N -0.117 119.987 120.200 -0.160 0.000 2.401 465 E HA -0.113 4.236 4.350 -0.000 0.000 0.199 465 E C 1.658 178.227 176.600 -0.052 0.000 1.023 465 E CA 0.514 56.786 56.400 -0.214 0.000 0.859 465 E CB -0.208 29.242 29.700 -0.417 0.000 0.780 465 E HN 0.692 nan 8.360 nan 0.000 0.523 466 W N 1.356 122.607 121.300 -0.081 0.000 2.444 466 W HA -0.067 4.592 4.660 -0.000 0.000 0.308 466 W C 1.919 178.521 176.519 0.138 0.000 1.183 466 W CA 0.955 58.421 57.345 0.201 0.000 1.340 466 W CB -0.542 29.153 29.460 0.392 0.000 1.138 466 W HN -0.065 nan 8.180 nan 0.000 0.510 467 L N 0.649 121.897 121.223 0.042 0.000 2.013 467 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 467 L C 2.388 179.276 176.870 0.030 0.000 1.073 467 L CA 2.041 56.788 54.840 -0.156 0.000 0.753 467 L CB -1.279 40.683 42.059 -0.162 0.000 0.890 467 L HN 0.044 nan 8.230 nan 0.000 0.432 468 E N 0.087 120.318 120.200 0.050 0.000 2.253 468 E HA -0.243 4.107 4.350 -0.000 0.000 0.202 468 E C 2.120 178.730 176.600 0.018 0.000 1.014 468 E CA 1.015 57.454 56.400 0.066 0.000 0.823 468 E CB -0.267 29.366 29.700 -0.112 0.000 0.736 468 E HN 0.630 nan 8.360 nan 0.000 0.478 469 G N -0.528 108.247 108.800 -0.042 0.000 2.448 469 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 469 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 469 G C 0.427 175.112 174.900 -0.358 0.000 1.135 469 G CA 0.307 45.304 45.100 -0.172 0.000 0.784 469 G HN 0.199 nan 8.290 nan 0.000 0.543 470 Y N -0.040 120.081 120.300 -0.298 0.000 2.631 470 Y HA 0.369 4.919 4.550 -0.000 0.000 0.361 470 Y C 1.317 177.062 175.900 -0.259 0.000 0.941 470 Y CA -1.235 56.681 58.100 -0.307 0.000 1.327 470 Y CB 0.609 38.809 38.460 -0.432 0.000 1.299 470 Y HN 0.015 nan 8.280 nan 0.000 0.578 471 L N 0.923 122.096 121.223 -0.083 0.000 2.270 471 L HA -0.236 4.103 4.340 -0.000 0.000 0.217 471 L C 1.392 178.188 176.870 -0.124 0.000 1.107 471 L CA 2.329 57.102 54.840 -0.111 0.000 0.772 471 L CB -0.178 41.855 42.059 -0.043 0.000 0.902 471 L HN 0.390 nan 8.230 nan 0.000 0.439 472 S N -4.117 111.509 115.700 -0.123 0.000 3.073 472 S HA 0.280 4.750 4.470 -0.000 0.000 0.252 472 S C 0.668 175.097 174.600 -0.285 0.000 0.953 472 S CA 0.026 58.147 58.200 -0.132 0.000 1.105 472 S CB -0.247 62.920 63.200 -0.056 0.000 1.070 472 S HN 0.414 nan 8.310 nan 0.000 0.574 473 S N -0.079 115.415 115.700 -0.345 0.000 2.617 473 S HA 0.189 4.659 4.470 -0.000 0.000 0.278 473 S C 1.134 175.445 174.600 -0.482 0.000 1.082 473 S CA 0.212 58.139 58.200 -0.454 0.000 1.228 473 S CB -0.494 62.593 63.200 -0.189 0.000 1.130 473 S HN 0.260 nan 8.310 nan 0.000 0.621 474 L N 4.618 125.633 121.223 -0.346 0.000 2.043 474 L HA -0.176 4.163 4.340 -0.000 0.000 0.212 474 L C 2.644 179.358 176.870 -0.259 0.000 1.075 474 L CA 2.685 57.316 54.840 -0.347 0.000 0.752 474 L CB -1.091 40.762 42.059 -0.343 0.000 0.891 474 L HN 0.694 nan 8.230 nan 0.000 0.432 475 H N -1.435 117.504 119.070 -0.218 0.000 2.489 475 H HA -0.142 4.414 4.556 -0.000 0.000 0.293 475 H C 1.970 177.241 175.328 -0.095 0.000 1.066 475 H CA 1.503 57.465 56.048 -0.142 0.000 1.305 475 H CB -0.629 28.980 29.762 -0.254 0.000 1.386 475 H HN 0.453 nan 8.280 nan 0.000 0.551 476 L N 0.192 121.105 121.223 -0.517 0.000 2.552 476 L HA -0.020 4.320 4.340 -0.000 0.000 0.227 476 L C 1.965 178.842 176.870 0.012 0.000 1.146 476 L CA 0.786 55.498 54.840 -0.214 0.000 0.858 476 L CB 0.111 41.990 42.059 -0.299 0.000 0.969 476 L HN 0.216 nan 8.230 nan 0.000 0.451 477 K N -0.647 119.755 120.400 0.004 0.000 2.354 477 K HA 0.314 4.633 4.320 -0.000 0.000 0.210 477 K C 0.616 177.383 176.600 0.278 0.000 1.184 477 K CA 0.278 56.668 56.287 0.172 0.000 0.880 477 K CB 0.280 32.776 32.500 -0.008 0.000 1.328 477 K HN 0.045 nan 8.250 nan 0.000 0.466 478 A N 1.615 124.535 122.820 0.167 0.000 2.289 478 A HA 0.382 4.702 4.320 -0.000 0.000 0.298 478 A C 0.159 177.869 177.584 0.211 0.000 1.208 478 A CA -0.414 51.747 52.037 0.206 0.000 0.845 478 A CB -0.237 18.926 19.000 0.272 0.000 1.125 478 A HN 0.437 nan 8.150 nan 0.000 0.517 479 F N 0.446 120.486 119.950 0.149 0.000 2.678 479 F HA 0.474 5.001 4.527 -0.000 0.000 0.305 479 F C 0.117 175.998 175.800 0.135 0.000 1.090 479 F CA -0.241 57.816 58.000 0.096 0.000 1.272 479 F CB 0.014 39.012 39.000 -0.004 0.000 1.060 479 F HN 0.297 nan 8.300 nan 0.000 0.576 480 T N -0.093 114.427 114.554 -0.057 0.000 3.087 480 T HA 0.231 4.581 4.350 -0.000 0.000 0.351 480 T C -2.509 172.201 174.700 0.018 0.000 1.520 480 T CA -0.504 61.615 62.100 0.032 0.000 1.111 480 T CB 1.573 70.450 68.868 0.014 0.000 1.353 480 T HN 0.135 nan 8.240 nan 0.000 0.481 481 Y N 3.604 123.860 120.300 -0.074 0.000 2.326 481 Y HA 0.729 5.279 4.550 -0.000 0.000 0.331 481 Y C -0.997 174.793 175.900 -0.183 0.000 0.962 481 Y CA -1.122 56.842 58.100 -0.226 0.000 1.167 481 Y CB 0.484 38.625 38.460 -0.532 0.000 1.148 481 Y HN 0.621 nan 8.280 nan 0.000 0.463 482 I N 5.506 125.646 120.570 -0.717 0.000 2.664 482 I HA 0.329 4.499 4.170 -0.000 0.000 0.308 482 I C -0.371 175.177 176.117 -0.948 0.000 0.984 482 I CA -0.873 60.111 61.300 -0.527 0.000 1.213 482 I CB 1.444 39.333 38.000 -0.186 0.000 1.379 482 I HN 0.632 nan 8.210 nan 0.000 0.501 483 N N 4.186 122.528 118.700 -0.597 0.000 2.454 483 N HA 0.298 5.038 4.740 -0.000 0.000 0.291 483 N C -0.398 174.859 175.510 -0.422 0.000 1.079 483 N CA -0.401 52.359 53.050 -0.484 0.000 0.893 483 N CB 1.915 40.225 38.487 -0.296 0.000 1.512 483 N HN 0.544 nan 8.380 nan 0.000 0.497 484 L N 0.797 121.851 121.223 -0.281 0.000 2.592 484 L HA 0.212 4.552 4.340 -0.000 0.000 0.227 484 L C 0.188 176.957 176.870 -0.169 0.000 1.127 484 L CA -0.129 54.556 54.840 -0.258 0.000 0.884 484 L CB -0.175 41.807 42.059 -0.128 0.000 1.065 484 L HN 0.379 nan 8.230 nan 0.000 0.457 485 D N 2.103 122.437 120.400 -0.110 0.000 2.515 485 D HA -0.067 4.573 4.640 -0.000 0.000 0.232 485 D C 0.546 176.801 176.300 -0.076 0.000 1.157 485 D CA 0.438 54.408 54.000 -0.049 0.000 0.871 485 D CB 0.414 41.216 40.800 0.003 0.000 1.200 485 D HN 0.039 nan 8.370 nan 0.000 0.466 486 K N 0.446 120.822 120.400 -0.041 0.000 3.213 486 K HA -0.272 4.048 4.320 -0.000 0.000 0.266 486 K C 0.820 177.404 176.600 -0.027 0.000 0.911 486 K CA 0.340 56.602 56.287 -0.043 0.000 0.684 486 K CB -1.020 31.457 32.500 -0.039 0.000 1.402 486 K HN 0.499 nan 8.250 nan 0.000 0.465 487 A N 0.051 122.869 122.820 -0.003 0.000 1.968 487 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 487 A C 0.882 178.612 177.584 0.243 0.000 1.169 487 A CA 0.970 53.075 52.037 0.112 0.000 0.638 487 A CB 0.581 19.680 19.000 0.165 0.000 0.812 487 A HN 0.141 nan 8.150 nan 0.000 0.446 488 V N 0.411 120.410 119.914 0.142 0.000 2.376 488 V HA 0.423 4.543 4.120 -0.000 0.000 0.287 488 V C -0.121 176.001 176.094 0.048 0.000 1.015 488 V CA -0.176 62.210 62.300 0.143 0.000 0.834 488 V CB 1.313 33.185 31.823 0.081 0.000 1.001 488 V HN 0.308 nan 8.190 nan 0.000 0.428 489 L N 3.997 125.276 121.223 0.092 0.000 3.174 489 L HA 0.707 5.047 4.340 -0.000 0.000 0.283 489 L C 0.876 177.840 176.870 0.157 0.000 1.187 489 L CA 0.927 55.798 54.840 0.052 0.000 1.018 489 L CB 0.750 42.833 42.059 0.039 0.000 1.433 489 L HN 0.801 nan 8.230 nan 0.000 0.593 490 G N -1.271 107.627 108.800 0.162 0.000 2.500 490 G HA2 0.443 4.403 3.960 -0.000 0.000 0.299 490 G HA3 0.443 4.403 3.960 -0.000 0.000 0.299 490 G C -0.411 174.589 174.900 0.167 0.000 1.242 490 G CA 0.430 45.624 45.100 0.157 0.000 0.859 490 G HN -0.183 nan 8.290 nan 0.000 0.481 491 T N -2.874 111.795 114.554 0.192 0.000 3.488 491 T HA 0.394 4.744 4.350 -0.000 0.000 0.312 491 T C 1.055 175.982 174.700 0.378 0.000 0.931 491 T CA 0.945 63.207 62.100 0.270 0.000 0.982 491 T CB 0.461 69.444 68.868 0.192 0.000 1.198 491 T HN 0.375 nan 8.240 nan 0.000 0.545 492 S N 1.920 117.792 115.700 0.286 0.000 2.431 492 S HA 0.265 4.735 4.470 -0.000 0.000 0.210 492 S C 0.901 175.679 174.600 0.296 0.000 1.013 492 S CA 0.034 58.384 58.200 0.251 0.000 0.920 492 S CB -0.059 63.225 63.200 0.140 0.000 0.882 492 S HN 0.534 nan 8.310 nan 0.000 0.567 493 N N 0.399 119.233 118.700 0.223 0.000 2.476 493 N HA 0.376 5.116 4.740 -0.000 0.000 0.287 493 N C -1.277 174.367 175.510 0.224 0.000 1.262 493 N CA -0.242 52.922 53.050 0.190 0.000 0.980 493 N CB 0.551 39.099 38.487 0.101 0.000 1.163 493 N HN 0.242 nan 8.380 nan 0.000 0.592 494 F N 0.713 120.632 119.950 -0.052 0.000 2.872 494 F HA 0.247 4.774 4.527 -0.000 0.000 0.363 494 F C 0.059 175.783 175.800 -0.126 0.000 1.357 494 F CA -0.750 57.123 58.000 -0.211 0.000 1.174 494 F CB 0.267 39.065 39.000 -0.338 0.000 1.860 494 F HN 0.265 nan 8.300 nan 0.000 0.615 495 K N 2.415 122.609 120.400 -0.343 0.000 2.414 495 K HA 0.522 4.842 4.320 -0.000 0.000 0.272 495 K C -1.313 174.990 176.600 -0.495 0.000 0.993 495 K CA 0.079 56.186 56.287 -0.301 0.000 0.964 495 K CB 0.831 33.219 32.500 -0.186 0.000 0.925 495 K HN 0.323 nan 8.250 nan 0.000 0.487 496 V N 2.607 122.338 119.914 -0.304 0.000 2.655 496 V HA 0.200 4.320 4.120 -0.000 0.000 0.301 496 V C -1.326 174.690 176.094 -0.130 0.000 1.082 496 V CA -0.819 61.339 62.300 -0.237 0.000 0.899 496 V CB 2.173 33.897 31.823 -0.166 0.000 1.014 496 V HN 0.849 nan 8.190 nan 0.000 0.429 497 S N 3.166 118.795 115.700 -0.118 0.000 2.502 497 S HA 0.977 5.447 4.470 -0.000 0.000 0.304 497 S C -0.126 174.406 174.600 -0.112 0.000 1.097 497 S CA -0.115 58.010 58.200 -0.125 0.000 1.045 497 S CB 1.954 65.073 63.200 -0.136 0.000 1.019 497 S HN 1.324 nan 8.310 nan 0.000 0.481 498 A N 1.591 124.320 122.820 -0.152 0.000 2.511 498 A HA 0.822 5.142 4.320 -0.000 0.000 0.293 498 A C -0.631 176.802 177.584 -0.252 0.000 1.098 498 A CA -0.723 51.224 52.037 -0.149 0.000 0.643 498 A CB 0.670 19.620 19.000 -0.083 0.000 1.302 498 A HN 0.704 nan 8.150 nan 0.000 0.446 499 S N 0.775 116.361 115.700 -0.190 0.000 2.545 499 S HA 0.478 4.948 4.470 -0.000 0.000 0.275 499 S C -1.133 173.397 174.600 -0.116 0.000 1.299 499 S CA -0.936 57.146 58.200 -0.198 0.000 1.048 499 S CB 0.760 63.965 63.200 0.008 0.000 0.938 499 S HN 0.461 nan 8.310 nan 0.000 0.496 500 P HA -0.158 nan 4.420 nan 0.000 0.219 500 P C 1.358 178.628 177.300 -0.050 0.000 1.144 500 P CA 1.127 64.132 63.100 -0.159 0.000 0.806 500 P CB -0.042 31.445 31.700 -0.355 0.000 0.771 501 L N -1.592 119.648 121.223 0.029 0.000 2.362 501 L HA -0.056 4.283 4.340 -0.000 0.000 0.219 501 L C 2.139 179.035 176.870 0.044 0.000 1.134 501 L CA 0.954 55.858 54.840 0.106 0.000 0.807 501 L CB -0.474 41.724 42.059 0.231 0.000 0.927 501 L HN -0.006 nan 8.230 nan 0.000 0.447 502 L N -2.430 118.792 121.223 -0.001 0.000 2.857 502 L HA 0.018 4.358 4.340 -0.000 0.000 0.249 502 L C 1.773 178.577 176.870 -0.110 0.000 1.172 502 L CA -0.308 54.476 54.840 -0.094 0.000 0.980 502 L CB -0.128 41.835 42.059 -0.159 0.000 1.299 502 L HN 0.065 nan 8.230 nan 0.000 0.535 503 Y N 1.385 121.601 120.300 -0.140 0.000 2.097 503 Y HA -0.309 4.241 4.550 -0.000 0.000 0.282 503 Y C 2.451 178.274 175.900 -0.127 0.000 1.152 503 Y CA 2.331 60.354 58.100 -0.128 0.000 1.136 503 Y CB -0.308 38.082 38.460 -0.116 0.000 0.975 503 Y HN 0.088 nan 8.280 nan 0.000 0.498 504 T N 1.072 115.497 114.554 -0.215 0.000 2.881 504 T HA -0.156 4.193 4.350 -0.000 0.000 0.270 504 T C 1.777 176.293 174.700 -0.307 0.000 1.068 504 T CA 1.290 63.215 62.100 -0.293 0.000 1.131 504 T CB -0.510 68.277 68.868 -0.135 0.000 0.871 504 T HN 0.300 nan 8.240 nan 0.000 0.479 505 L N 0.993 122.048 121.223 -0.281 0.000 2.072 505 L HA 0.156 4.496 4.340 -0.000 0.000 0.205 505 L C 2.076 178.791 176.870 -0.259 0.000 1.079 505 L CA 1.413 56.080 54.840 -0.289 0.000 0.752 505 L CB -0.562 41.269 42.059 -0.380 0.000 0.906 505 L HN 0.229 nan 8.230 nan 0.000 0.436 506 I N -0.388 120.000 120.570 -0.303 0.000 2.163 506 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 506 I C 2.507 178.551 176.117 -0.123 0.000 1.085 506 I CA 1.691 62.940 61.300 -0.085 0.000 1.347 506 I CB -0.429 37.518 38.000 -0.088 0.000 1.044 506 I HN 0.453 nan 8.210 nan 0.000 0.408 507 E N 1.447 121.421 120.200 -0.377 0.000 2.000 507 E HA -0.293 4.057 4.350 -0.000 0.000 0.199 507 E C 2.089 178.442 176.600 -0.413 0.000 1.011 507 E CA 1.615 57.717 56.400 -0.496 0.000 0.836 507 E CB 0.050 29.348 29.700 -0.670 0.000 0.778 507 E HN 0.112 nan 8.360 nan 0.000 0.462 508 K N -0.105 120.097 120.400 -0.330 0.000 2.286 508 K HA -0.113 4.206 4.320 -0.000 0.000 0.203 508 K C 1.966 178.500 176.600 -0.110 0.000 1.045 508 K CA 1.625 57.773 56.287 -0.232 0.000 0.935 508 K CB -0.478 31.897 32.500 -0.207 0.000 0.737 508 K HN 0.165 nan 8.250 nan 0.000 0.460 509 T N 0.153 114.685 114.554 -0.036 0.000 2.937 509 T HA 0.061 4.411 4.350 -0.000 0.000 0.260 509 T C 1.463 176.200 174.700 0.060 0.000 1.051 509 T CA 0.769 62.929 62.100 0.099 0.000 1.141 509 T CB -0.027 69.020 68.868 0.299 0.000 0.879 509 T HN 0.151 nan 8.240 nan 0.000 0.459 510 M N 1.071 120.677 119.600 0.010 0.000 2.632 510 M HA 0.020 4.499 4.480 -0.000 0.000 0.256 510 M C 1.798 178.156 176.300 0.097 0.000 1.080 510 M CA 1.098 56.403 55.300 0.007 0.000 1.084 510 M CB -0.241 32.400 32.600 0.069 0.000 1.439 510 M HN 0.264 nan 8.290 nan 0.000 0.509 511 Q N -0.562 119.259 119.800 0.035 0.000 2.356 511 Q HA 0.082 4.422 4.340 -0.000 0.000 0.205 511 Q C 1.130 177.253 176.000 0.205 0.000 0.901 511 Q CA 0.271 56.111 55.803 0.061 0.000 0.938 511 Q CB 0.477 29.144 28.738 -0.119 0.000 1.081 511 Q HN 0.524 nan 8.270 nan 0.000 0.517 512 N N -0.650 118.207 118.700 0.261 0.000 2.332 512 N HA 0.072 4.812 4.740 -0.000 0.000 0.190 512 N C -0.290 175.374 175.510 0.256 0.000 1.117 512 N CA 0.295 53.546 53.050 0.334 0.000 0.883 512 N CB 1.434 40.107 38.487 0.310 0.000 1.089 512 N HN -0.082 nan 8.380 nan 0.000 0.480 513 V N 2.672 122.669 119.914 0.138 0.000 2.407 513 V HA 0.238 4.358 4.120 -0.000 0.000 0.278 513 V C 0.207 176.239 176.094 -0.104 0.000 1.037 513 V CA -0.562 61.720 62.300 -0.029 0.000 0.900 513 V CB 1.604 33.356 31.823 -0.119 0.000 0.983 513 V HN -0.049 nan 8.190 nan 0.000 0.459 514 K N 2.730 122.990 120.400 -0.234 0.000 2.156 514 K HA 0.386 4.706 4.320 -0.000 0.000 0.271 514 K C -0.075 176.468 176.600 -0.096 0.000 0.995 514 K CA -0.739 55.371 56.287 -0.295 0.000 0.890 514 K CB 1.205 33.412 32.500 -0.489 0.000 1.073 514 K HN 0.795 nan 8.250 nan 0.000 0.454 515 H N 3.960 122.965 119.070 -0.108 0.000 3.038 515 H HA -0.060 4.496 4.556 -0.000 0.000 0.338 515 H C -1.333 173.943 175.328 -0.087 0.000 1.041 515 H CA -0.784 55.253 56.048 -0.018 0.000 1.394 515 H CB 0.955 30.729 29.762 0.020 0.000 1.357 515 H HN 0.419 nan 8.280 nan 0.000 0.600 516 P HA -0.163 nan 4.420 nan 0.000 0.217 516 P C 1.136 178.481 177.300 0.075 0.000 1.151 516 P CA 0.991 64.099 63.100 0.014 0.000 0.828 516 P CB 0.365 31.953 31.700 -0.187 0.000 0.788 517 V N -0.124 119.917 119.914 0.211 0.000 2.300 517 V HA -0.023 4.097 4.120 -0.000 0.000 0.241 517 V C 1.261 177.261 176.094 -0.157 0.000 1.034 517 V CA 1.593 63.866 62.300 -0.045 0.000 1.021 517 V CB -1.543 30.216 31.823 -0.108 0.000 0.662 517 V HN 0.096 nan 8.190 nan 0.000 0.458 518 T N 0.922 115.262 114.554 -0.356 0.000 2.884 518 T HA 0.327 4.676 4.350 -0.000 0.000 0.298 518 T C 1.192 175.828 174.700 -0.106 0.000 0.998 518 T CA 0.444 62.398 62.100 -0.242 0.000 1.124 518 T CB 1.361 70.043 68.868 -0.311 0.000 0.931 518 T HN 0.469 nan 8.240 nan 0.000 0.531 519 G N 2.212 110.961 108.800 -0.084 0.000 2.598 519 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.215 519 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.215 519 G C 0.550 175.387 174.900 -0.104 0.000 1.131 519 G CA 0.246 45.295 45.100 -0.086 0.000 0.785 519 G HN 0.639 nan 8.290 nan 0.000 0.539 520 Q N -0.688 119.086 119.800 -0.043 0.000 2.382 520 Q HA 0.386 4.726 4.340 -0.000 0.000 0.229 520 Q C -0.649 175.359 176.000 0.014 0.000 1.006 520 Q CA -0.686 55.137 55.803 0.033 0.000 0.916 520 Q CB 0.851 29.645 28.738 0.094 0.000 1.235 520 Q HN 0.238 nan 8.270 nan 0.000 0.512 521 F N 0.484 120.460 119.950 0.044 0.000 2.450 521 F HA 0.011 4.538 4.527 -0.000 0.000 0.339 521 F C 1.420 177.249 175.800 0.048 0.000 1.146 521 F CA -0.087 57.940 58.000 0.045 0.000 1.267 521 F CB 0.238 39.274 39.000 0.061 0.000 1.178 521 F HN 0.461 nan 8.300 nan 0.000 0.585 522 L N 0.926 122.248 121.223 0.165 0.000 2.079 522 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 522 L C 0.589 177.549 176.870 0.150 0.000 1.081 522 L CA 0.916 55.771 54.840 0.025 0.000 0.752 522 L CB -0.451 41.421 42.059 -0.312 0.000 0.896 522 L HN 0.476 nan 8.230 nan 0.000 0.433 523 Y N 2.098 122.437 120.300 0.064 0.000 2.544 523 Y HA 0.004 4.553 4.550 -0.000 0.000 0.330 523 Y C 0.507 176.440 175.900 0.056 0.000 1.136 523 Y CA -0.710 57.420 58.100 0.049 0.000 1.417 523 Y CB 0.014 38.487 38.460 0.022 0.000 1.229 523 Y HN 0.099 nan 8.280 nan 0.000 0.532 524 Q N 5.933 125.478 119.800 -0.424 0.000 2.381 524 Q HA -0.050 4.290 4.340 -0.000 0.000 0.243 524 Q C 0.733 176.349 176.000 -0.640 0.000 1.154 524 Q CA -0.091 55.480 55.803 -0.387 0.000 0.899 524 Q CB 0.334 28.933 28.738 -0.232 0.000 1.396 524 Q HN 0.790 nan 8.270 nan 0.000 0.485 525 D N 0.902 121.067 120.400 -0.392 0.000 2.357 525 D HA -0.123 4.517 4.640 -0.000 0.000 0.216 525 D C 1.190 177.391 176.300 -0.165 0.000 0.973 525 D CA 1.076 54.918 54.000 -0.263 0.000 0.912 525 D CB 0.391 41.137 40.800 -0.091 0.000 0.900 525 D HN 0.483 nan 8.370 nan 0.000 0.501 526 S N -0.478 115.128 115.700 -0.156 0.000 2.603 526 S HA 0.033 4.503 4.470 -0.000 0.000 0.220 526 S C 0.700 175.276 174.600 -0.040 0.000 0.967 526 S CA -0.339 57.821 58.200 -0.067 0.000 0.920 526 S CB 0.306 63.477 63.200 -0.049 0.000 0.773 526 S HN 0.067 nan 8.310 nan 0.000 0.529 527 N N 0.725 119.364 118.700 -0.101 0.000 2.545 527 N HA 0.405 5.145 4.740 -0.000 0.000 0.289 527 N C 0.095 175.669 175.510 0.107 0.000 1.279 527 N CA -0.580 52.446 53.050 -0.040 0.000 0.824 527 N CB 0.802 39.199 38.487 -0.150 0.000 1.395 527 N HN 0.555 nan 8.380 nan 0.000 0.526 528 W N -1.697 119.658 121.300 0.090 0.000 2.592 528 W HA 0.548 5.207 4.660 -0.000 0.000 0.306 528 W C -0.924 175.709 176.519 0.190 0.000 0.991 528 W CA -0.327 57.106 57.345 0.146 0.000 1.430 528 W CB 0.318 29.834 29.460 0.092 0.000 1.017 528 W HN 0.397 nan 8.180 nan 0.000 0.557 529 A N 2.595 124.919 122.820 -0.826 0.000 2.360 529 A HA 0.601 4.921 4.320 -0.000 0.000 0.309 529 A C -0.139 177.283 177.584 -0.270 0.000 1.311 529 A CA -0.291 51.278 52.037 -0.781 0.000 0.805 529 A CB 0.541 18.626 19.000 -1.525 0.000 1.144 529 A HN 0.039 nan 8.150 nan 0.000 0.486 530 S N 1.172 116.916 115.700 0.074 0.000 2.624 530 S HA 0.319 4.788 4.470 -0.000 0.000 0.263 530 S C 0.299 174.958 174.600 0.098 0.000 1.287 530 S CA -0.488 57.801 58.200 0.148 0.000 0.990 530 S CB 0.822 64.191 63.200 0.281 0.000 0.950 530 S HN 0.713 nan 8.310 nan 0.000 0.561 531 K N 1.222 121.664 120.400 0.070 0.000 2.234 531 K HA 0.494 4.813 4.320 -0.000 0.000 0.277 531 K C -1.643 174.982 176.600 0.041 0.000 1.038 531 K CA -0.416 55.885 56.287 0.024 0.000 0.888 531 K CB 0.524 33.020 32.500 -0.007 0.000 1.091 531 K HN 0.364 nan 8.250 nan 0.000 0.467 532 V N 3.841 123.766 119.914 0.018 0.000 2.540 532 V HA 0.264 4.383 4.120 -0.000 0.000 0.302 532 V C -0.317 175.729 176.094 -0.081 0.000 1.035 532 V CA -0.883 61.413 62.300 -0.007 0.000 0.873 532 V CB 1.567 33.419 31.823 0.049 0.000 0.992 532 V HN 0.871 nan 8.190 nan 0.000 0.428 533 E N 2.769 122.906 120.200 -0.105 0.000 2.283 533 E HA 0.456 4.806 4.350 -0.000 0.000 0.267 533 E C -0.499 175.991 176.600 -0.183 0.000 1.045 533 E CA -0.747 55.576 56.400 -0.129 0.000 0.884 533 E CB 1.192 30.821 29.700 -0.119 0.000 1.106 533 E HN 0.548 nan 8.360 nan 0.000 0.408 534 K N 1.790 122.078 120.400 -0.185 0.000 2.185 534 K HA 0.218 4.538 4.320 -0.000 0.000 0.271 534 K C -0.584 175.904 176.600 -0.186 0.000 1.013 534 K CA -0.689 55.455 56.287 -0.238 0.000 0.943 534 K CB 0.586 32.994 32.500 -0.153 0.000 0.998 534 K HN 0.302 nan 8.250 nan 0.000 0.468 535 L N 2.763 123.885 121.223 -0.169 0.000 2.380 535 L HA 0.142 4.481 4.340 -0.000 0.000 0.273 535 L C 0.659 177.437 176.870 -0.154 0.000 1.138 535 L CA 0.296 55.092 54.840 -0.073 0.000 0.832 535 L CB 0.341 42.449 42.059 0.082 0.000 1.124 535 L HN 0.812 nan 8.230 nan 0.000 0.454 536 T N -0.080 114.322 114.554 -0.252 0.000 2.929 536 T HA 0.272 4.622 4.350 -0.000 0.000 0.284 536 T C 1.317 175.577 174.700 -0.733 0.000 1.014 536 T CA -0.902 60.921 62.100 -0.461 0.000 1.051 536 T CB 1.748 70.436 68.868 -0.301 0.000 1.028 536 T HN 0.334 nan 8.240 nan 0.000 0.485 537 L N 1.411 122.056 121.223 -0.962 0.000 2.270 537 L HA -0.097 4.243 4.340 -0.000 0.000 0.217 537 L C 1.317 177.940 176.870 -0.411 0.000 1.107 537 L CA 2.004 56.288 54.840 -0.927 0.000 0.772 537 L CB -1.052 40.634 42.059 -0.622 0.000 0.902 537 L HN 0.916 nan 8.230 nan 0.000 0.439 538 D N -1.808 118.414 120.400 -0.296 0.000 2.722 538 D HA -0.010 4.629 4.640 -0.000 0.000 0.239 538 D C 0.097 176.365 176.300 -0.054 0.000 1.249 538 D CA -0.191 53.724 54.000 -0.141 0.000 0.830 538 D CB -0.398 40.328 40.800 -0.123 0.000 1.025 538 D HN 0.377 nan 8.370 nan 0.000 0.486 539 N N -0.123 118.567 118.700 -0.017 0.000 2.480 539 N HA 0.345 5.085 4.740 -0.000 0.000 0.289 539 N C 0.902 176.492 175.510 0.135 0.000 1.073 539 N CA -0.456 52.622 53.050 0.048 0.000 0.885 539 N CB 1.596 40.093 38.487 0.016 0.000 1.421 539 N HN -0.034 nan 8.380 nan 0.000 0.503 540 A N 3.048 125.945 122.820 0.128 0.000 2.067 540 A HA -0.257 4.063 4.320 -0.000 0.000 0.224 540 A C 2.050 179.755 177.584 0.202 0.000 1.172 540 A CA 2.363 54.476 52.037 0.127 0.000 0.662 540 A CB -0.683 18.381 19.000 0.108 0.000 0.814 540 A HN 0.768 nan 8.150 nan 0.000 0.468 541 A N -1.569 121.411 122.820 0.266 0.000 1.968 541 A HA 0.074 4.394 4.320 -0.000 0.000 0.217 541 A C 1.923 179.660 177.584 0.255 0.000 1.169 541 A CA 1.366 53.594 52.037 0.318 0.000 0.638 541 A CB -0.616 18.516 19.000 0.219 0.000 0.812 541 A HN 0.707 nan 8.150 nan 0.000 0.446 542 F N 1.547 121.532 119.950 0.058 0.000 2.065 542 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 542 F C -0.715 175.134 175.800 0.082 0.000 1.112 542 F CA 2.045 60.041 58.000 -0.007 0.000 1.212 542 F CB -1.277 37.646 39.000 -0.127 0.000 0.975 542 F HN 0.152 nan 8.300 nan 0.000 0.476 543 P HA -0.184 nan 4.420 nan 0.000 0.215 543 P C 1.778 179.126 177.300 0.079 0.000 1.157 543 P CA 1.787 64.924 63.100 0.062 0.000 0.868 543 P CB -0.288 31.471 31.700 0.098 0.000 0.788 544 F N -1.123 118.776 119.950 -0.084 0.000 2.154 544 F HA -0.183 4.344 4.527 -0.000 0.000 0.301 544 F C 2.122 177.933 175.800 0.018 0.000 1.087 544 F CA 1.368 59.329 58.000 -0.065 0.000 1.274 544 F CB -0.981 37.897 39.000 -0.204 0.000 1.009 544 F HN -0.112 nan 8.300 nan 0.000 0.485 545 L N -0.530 120.788 121.223 0.157 0.000 2.200 545 L HA 0.261 4.601 4.340 -0.000 0.000 0.200 545 L C 2.149 179.006 176.870 -0.021 0.000 1.072 545 L CA 1.753 56.633 54.840 0.067 0.000 0.787 545 L CB -1.080 40.989 42.059 0.017 0.000 0.957 545 L HN -0.060 nan 8.230 nan 0.000 0.459 546 A N -2.056 120.649 122.820 -0.191 0.000 2.123 546 A HA -0.083 4.236 4.320 -0.000 0.000 0.214 546 A C 1.942 179.658 177.584 0.221 0.000 1.152 546 A CA 1.317 53.279 52.037 -0.126 0.000 0.728 546 A CB -0.595 17.878 19.000 -0.879 0.000 0.814 546 A HN 0.656 nan 8.150 nan 0.000 0.464 547 Y N -1.067 119.270 120.300 0.063 0.000 2.594 547 Y HA 0.199 4.749 4.550 -0.000 0.000 0.283 547 Y C 2.090 178.020 175.900 0.049 0.000 1.140 547 Y CA 1.149 59.290 58.100 0.068 0.000 1.261 547 Y CB 0.279 38.742 38.460 0.004 0.000 1.358 547 Y HN 0.154 nan 8.280 nan 0.000 0.513 548 S N -0.214 115.468 115.700 -0.031 0.000 2.548 548 S HA 0.228 4.698 4.470 -0.000 0.000 0.215 548 S C 1.205 175.883 174.600 0.129 0.000 0.976 548 S CA 0.591 58.730 58.200 -0.101 0.000 0.908 548 S CB -0.031 63.088 63.200 -0.134 0.000 0.781 548 S HN 0.801 nan 8.310 nan 0.000 0.519 549 G N 2.183 111.093 108.800 0.183 0.000 2.246 549 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.273 549 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.273 549 G C -0.213 174.855 174.900 0.280 0.000 1.055 549 G CA -0.220 45.047 45.100 0.279 0.000 0.851 549 G HN 0.400 nan 8.290 nan 0.000 0.500 550 I N 1.360 122.084 120.570 0.258 0.000 2.354 550 I HA 0.339 4.509 4.170 -0.000 0.000 0.292 550 I C -1.812 174.472 176.117 0.279 0.000 0.989 550 I CA -3.222 58.258 61.300 0.301 0.000 1.188 550 I CB 1.295 39.538 38.000 0.405 0.000 1.342 550 I HN -0.062 nan 8.210 nan 0.000 0.457 551 P HA 0.223 nan 4.420 nan 0.000 0.268 551 P C -0.870 176.534 177.300 0.174 0.000 1.204 551 P CA -0.132 63.091 63.100 0.205 0.000 0.768 551 P CB 1.219 33.048 31.700 0.216 0.000 0.842 552 A N 3.401 126.291 122.820 0.117 0.000 2.422 552 A HA 0.573 4.893 4.320 -0.000 0.000 0.302 552 A C -0.947 176.642 177.584 0.008 0.000 1.041 552 A CA -0.763 51.333 52.037 0.099 0.000 0.708 552 A CB 1.859 20.994 19.000 0.223 0.000 1.257 552 A HN 0.419 nan 8.150 nan 0.000 0.414 553 V N 1.292 121.193 119.914 -0.022 0.000 2.975 553 V HA 0.913 5.033 4.120 -0.000 0.000 0.318 553 V C 0.021 176.088 176.094 -0.045 0.000 1.077 553 V CA 0.238 62.534 62.300 -0.007 0.000 1.000 553 V CB 2.189 34.059 31.823 0.079 0.000 1.066 553 V HN 1.489 nan 8.190 nan 0.000 0.452 554 S N 3.836 119.505 115.700 -0.052 0.000 2.417 554 S HA 0.375 4.845 4.470 -0.000 0.000 0.189 554 S C -0.893 173.573 174.600 -0.224 0.000 1.005 554 S CA -0.702 57.377 58.200 -0.202 0.000 1.116 554 S CB -0.124 62.987 63.200 -0.149 0.000 1.343 554 S HN 0.890 nan 8.310 nan 0.000 0.406 555 F N 1.512 121.384 119.950 -0.129 0.000 2.375 555 F HA 0.894 5.421 4.527 -0.000 0.000 0.313 555 F C 0.272 175.886 175.800 -0.311 0.000 1.176 555 F CA -1.332 56.472 58.000 -0.327 0.000 1.142 555 F CB 0.302 39.096 39.000 -0.344 0.000 1.275 555 F HN 0.447 nan 8.300 nan 0.000 0.544 556 C N 2.611 121.795 119.300 -0.193 0.000 2.832 556 C HA 0.427 4.887 4.460 -0.000 0.000 0.383 556 C C -0.707 174.220 174.990 -0.106 0.000 1.046 556 C CA -1.106 57.865 59.018 -0.079 0.000 1.242 556 C CB -0.540 27.131 27.740 -0.115 0.000 1.693 556 C HN 0.824 nan 8.230 nan 0.000 0.497 557 F N 4.686 124.724 119.950 0.147 0.000 2.783 557 F HA 0.232 4.759 4.527 -0.000 0.000 0.338 557 F C 1.663 177.519 175.800 0.093 0.000 1.178 557 F CA 0.008 58.116 58.000 0.179 0.000 1.343 557 F CB -0.310 38.779 39.000 0.148 0.000 1.496 557 F HN 0.670 nan 8.300 nan 0.000 0.583 558 C N 0.711 120.095 119.300 0.141 0.000 2.883 558 C HA 0.042 4.502 4.460 -0.000 0.000 0.347 558 C C 0.762 175.819 174.990 0.112 0.000 1.361 558 C CA -0.118 58.953 59.018 0.089 0.000 2.102 558 C CB 0.135 27.878 27.740 0.005 0.000 2.496 558 C HN 0.444 nan 8.230 nan 0.000 0.758 559 E N -0.171 120.073 120.200 0.073 0.000 2.392 559 E HA 0.205 4.555 4.350 -0.000 0.000 0.269 559 E C 0.076 176.688 176.600 0.021 0.000 0.924 559 E CA -0.428 56.009 56.400 0.062 0.000 0.784 559 E CB 1.164 30.900 29.700 0.060 0.000 1.292 559 E HN 0.515 nan 8.360 nan 0.000 0.447 560 D N -0.021 120.387 120.400 0.013 0.000 2.182 560 D HA -0.082 4.558 4.640 -0.000 0.000 0.201 560 D C -0.011 176.266 176.300 -0.038 0.000 0.986 560 D CA 1.472 55.467 54.000 -0.009 0.000 0.847 560 D CB 0.199 40.996 40.800 -0.004 0.000 0.942 560 D HN 0.131 nan 8.370 nan 0.000 0.467 561 T N 1.033 115.557 114.554 -0.050 0.000 2.797 561 T HA 0.310 4.660 4.350 -0.000 0.000 0.279 561 T C -0.807 173.837 174.700 -0.093 0.000 0.991 561 T CA -1.022 61.015 62.100 -0.105 0.000 0.979 561 T CB 1.469 70.257 68.868 -0.133 0.000 0.943 561 T HN 0.019 nan 8.240 nan 0.000 0.444 562 D N 1.064 121.390 120.400 -0.124 0.000 2.414 562 D HA 0.037 4.677 4.640 -0.000 0.000 0.242 562 D C -0.171 176.131 176.300 0.004 0.000 1.129 562 D CA -0.484 53.493 54.000 -0.039 0.000 0.885 562 D CB 0.202 40.984 40.800 -0.030 0.000 1.198 562 D HN 0.459 nan 8.370 nan 0.000 0.437 563 Y N 2.605 122.876 120.300 -0.049 0.000 2.881 563 Y HA -0.023 4.527 4.550 -0.000 0.000 0.335 563 Y C -1.096 174.808 175.900 0.006 0.000 1.263 563 Y CA -0.912 57.151 58.100 -0.062 0.000 1.572 563 Y CB 0.625 39.075 38.460 -0.017 0.000 1.237 563 Y HN 0.393 nan 8.280 nan 0.000 0.568 564 P HA -0.184 nan 4.420 nan 0.000 0.215 564 P C 0.995 178.440 177.300 0.241 0.000 1.160 564 P CA 1.718 64.886 63.100 0.113 0.000 0.869 564 P CB -0.104 31.570 31.700 -0.045 0.000 0.782 565 Y N -0.687 119.642 120.300 0.049 0.000 2.556 565 Y HA -0.145 4.405 4.550 -0.000 0.000 0.290 565 Y C 2.539 178.648 175.900 0.348 0.000 1.149 565 Y CA -0.880 57.333 58.100 0.187 0.000 1.329 565 Y CB -0.902 37.662 38.460 0.174 0.000 0.975 565 Y HN -0.144 nan 8.280 nan 0.000 0.561 566 L N 0.759 122.333 121.223 0.584 0.000 2.012 566 L HA -0.273 4.067 4.340 -0.000 0.000 0.236 566 L C 2.321 179.401 176.870 0.349 0.000 1.099 566 L CA 2.406 57.506 54.840 0.434 0.000 0.821 566 L CB -1.182 41.083 42.059 0.344 0.000 0.918 566 L HN 0.241 nan 8.230 nan 0.000 0.445 567 G N -2.372 106.615 108.800 0.312 0.000 3.327 567 G HA2 0.186 4.146 3.960 -0.000 0.000 0.240 567 G HA3 0.186 4.146 3.960 -0.000 0.000 0.240 567 G C 0.330 175.494 174.900 0.440 0.000 1.222 567 G CA 0.687 45.985 45.100 0.330 0.000 0.871 567 G HN 0.415 nan 8.290 nan 0.000 0.525 568 T N -1.703 113.129 114.554 0.464 0.000 2.901 568 T HA 0.379 4.728 4.350 -0.000 0.000 0.293 568 T C 1.776 176.743 174.700 0.443 0.000 1.084 568 T CA 0.377 62.799 62.100 0.537 0.000 1.008 568 T CB 1.355 70.473 68.868 0.417 0.000 1.170 568 T HN 0.089 nan 8.240 nan 0.000 0.509 569 T N 0.891 115.673 114.554 0.379 0.000 3.118 569 T HA -0.051 4.299 4.350 -0.000 0.000 0.269 569 T C 1.464 176.226 174.700 0.102 0.000 1.166 569 T CA 1.047 63.234 62.100 0.144 0.000 1.073 569 T CB -0.483 68.404 68.868 0.031 0.000 0.884 569 T HN 0.547 nan 8.240 nan 0.000 0.550 570 M N 0.864 120.539 119.600 0.126 0.000 2.428 570 M HA 0.187 4.667 4.480 -0.000 0.000 0.239 570 M C 0.742 177.121 176.300 0.131 0.000 1.121 570 M CA 0.048 55.337 55.300 -0.018 0.000 1.019 570 M CB 0.269 32.686 32.600 -0.306 0.000 1.485 570 M HN -0.050 nan 8.290 nan 0.000 0.484 571 D N 2.095 122.662 120.400 0.278 0.000 2.948 571 D HA -0.012 4.628 4.640 -0.000 0.000 0.241 571 D C -0.114 176.341 176.300 0.258 0.000 1.198 571 D CA 0.199 54.419 54.000 0.366 0.000 0.926 571 D CB -0.154 40.835 40.800 0.316 0.000 1.151 571 D HN 0.310 nan 8.370 nan 0.000 0.441 572 T N -2.563 112.121 114.554 0.218 0.000 2.904 572 T HA 0.038 4.388 4.350 -0.000 0.000 0.290 572 T C 1.250 176.077 174.700 0.211 0.000 1.018 572 T CA -0.765 61.444 62.100 0.182 0.000 1.075 572 T CB 0.992 69.931 68.868 0.119 0.000 0.986 572 T HN 0.194 nan 8.240 nan 0.000 0.523 573 Y N 1.663 122.029 120.300 0.111 0.000 2.403 573 Y HA 0.003 4.553 4.550 -0.000 0.000 0.291 573 Y C 2.122 178.089 175.900 0.112 0.000 1.143 573 Y CA 1.291 59.454 58.100 0.106 0.000 1.257 573 Y CB -0.227 38.280 38.460 0.079 0.000 0.984 573 Y HN 0.666 nan 8.280 nan 0.000 0.550 574 K N -0.055 120.367 120.400 0.036 0.000 1.992 574 K HA -0.116 4.204 4.320 -0.000 0.000 0.210 574 K C 1.878 178.467 176.600 -0.019 0.000 1.036 574 K CA 1.191 57.460 56.287 -0.030 0.000 0.946 574 K CB -0.226 32.314 32.500 0.066 0.000 0.742 574 K HN 0.133 nan 8.250 nan 0.000 0.442 575 E N 1.300 121.545 120.200 0.075 0.000 2.333 575 E HA -0.204 4.146 4.350 -0.000 0.000 0.200 575 E C 1.859 178.604 176.600 0.241 0.000 1.010 575 E CA 0.722 57.223 56.400 0.168 0.000 0.841 575 E CB -0.166 29.634 29.700 0.166 0.000 0.757 575 E HN 0.158 nan 8.360 nan 0.000 0.508 576 L N 0.424 121.757 121.223 0.182 0.000 2.013 576 L HA 0.006 4.346 4.340 -0.000 0.000 0.204 576 L C 2.286 179.177 176.870 0.035 0.000 1.081 576 L CA 1.288 56.250 54.840 0.204 0.000 0.751 576 L CB -0.606 41.524 42.059 0.119 0.000 0.901 576 L HN 0.059 nan 8.230 nan 0.000 0.440 577 I N -0.498 119.969 120.570 -0.170 0.000 2.530 577 I HA -0.284 3.885 4.170 -0.000 0.000 0.257 577 I C 2.271 178.345 176.117 -0.072 0.000 1.179 577 I CA 1.378 62.568 61.300 -0.183 0.000 1.440 577 I CB -0.100 37.650 38.000 -0.416 0.000 1.087 577 I HN 0.577 nan 8.210 nan 0.000 0.440 578 E N 0.644 120.825 120.200 -0.033 0.000 2.285 578 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 578 E C 1.748 178.363 176.600 0.025 0.000 0.997 578 E CA 0.483 56.888 56.400 0.008 0.000 0.845 578 E CB 0.201 29.921 29.700 0.034 0.000 0.782 578 E HN 0.484 nan 8.360 nan 0.000 0.491 579 R N -0.295 120.228 120.500 0.039 0.000 2.397 579 R HA 0.312 4.652 4.340 -0.000 0.000 0.241 579 R C 0.592 176.917 176.300 0.042 0.000 0.914 579 R CA 0.045 56.164 56.100 0.032 0.000 1.071 579 R CB 0.863 31.166 30.300 0.006 0.000 1.116 579 R HN 0.081 nan 8.270 nan 0.000 0.524 580 I N 0.200 120.790 120.570 0.035 0.000 2.761 580 I HA 0.169 4.339 4.170 -0.000 0.000 0.321 580 I C -2.302 173.821 176.117 0.009 0.000 1.493 580 I CA -1.804 59.516 61.300 0.033 0.000 0.792 580 I CB 1.221 39.257 38.000 0.060 0.000 2.059 580 I HN -0.145 nan 8.210 nan 0.000 0.582 581 P HA -0.281 nan 4.420 nan 0.000 0.232 581 P C 0.647 177.946 177.300 -0.001 0.000 1.135 581 P CA 1.856 64.955 63.100 -0.002 0.000 0.969 581 P CB -0.012 31.689 31.700 0.000 0.000 0.777 582 E N -0.404 119.793 120.200 -0.003 0.000 2.311 582 E HA 0.034 4.384 4.350 -0.000 0.000 0.198 582 E C 1.424 178.019 176.600 -0.008 0.000 1.115 582 E CA -0.302 56.093 56.400 -0.009 0.000 1.140 582 E CB -0.889 28.798 29.700 -0.021 0.000 1.204 582 E HN 0.175 nan 8.360 nan 0.000 0.446 583 L N 1.371 122.600 121.223 0.009 0.000 2.151 583 L HA -0.316 4.024 4.340 -0.000 0.000 0.215 583 L C 1.756 178.660 176.870 0.057 0.000 1.084 583 L CA 2.237 57.093 54.840 0.028 0.000 0.764 583 L CB -0.851 41.236 42.059 0.047 0.000 0.891 583 L HN 0.211 nan 8.230 nan 0.000 0.435 584 N N -0.821 117.913 118.700 0.056 0.000 2.062 584 N HA -0.191 4.549 4.740 -0.000 0.000 0.191 584 N C 1.821 177.339 175.510 0.013 0.000 1.042 584 N CA 1.409 54.495 53.050 0.060 0.000 0.845 584 N CB -0.079 38.413 38.487 0.008 0.000 1.024 584 N HN 0.161 nan 8.380 nan 0.000 0.424 585 K N 0.288 120.664 120.400 -0.041 0.000 2.063 585 K HA -0.081 4.239 4.320 -0.000 0.000 0.208 585 K C 2.007 178.538 176.600 -0.115 0.000 1.048 585 K CA 0.817 57.056 56.287 -0.079 0.000 0.928 585 K CB -0.772 31.679 32.500 -0.081 0.000 0.713 585 K HN 0.134 nan 8.250 nan 0.000 0.442 586 V N 1.440 121.261 119.914 -0.155 0.000 2.237 586 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 586 V C 2.523 178.477 176.094 -0.233 0.000 1.046 586 V CA 2.099 64.183 62.300 -0.361 0.000 1.007 586 V CB -1.003 30.632 31.823 -0.313 0.000 0.638 586 V HN 0.307 nan 8.190 nan 0.000 0.445 587 A N 0.450 123.275 122.820 0.008 0.000 1.917 587 A HA -0.307 4.013 4.320 -0.000 0.000 0.219 587 A C 2.415 180.187 177.584 0.313 0.000 1.182 587 A CA 2.286 54.419 52.037 0.160 0.000 0.633 587 A CB -0.687 18.473 19.000 0.266 0.000 0.819 587 A HN 0.445 nan 8.150 nan 0.000 0.448 588 R N 0.205 120.945 120.500 0.400 0.000 2.094 588 R HA -0.175 4.165 4.340 -0.000 0.000 0.239 588 R C 2.259 178.676 176.300 0.195 0.000 1.137 588 R CA 2.115 58.458 56.100 0.406 0.000 0.943 588 R CB -1.032 29.265 30.300 -0.005 0.000 0.850 588 R HN 0.431 nan 8.270 nan 0.000 0.433 589 A N 1.019 123.852 122.820 0.022 0.000 1.873 589 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 589 A C 2.531 180.178 177.584 0.104 0.000 1.193 589 A CA 2.537 54.579 52.037 0.008 0.000 0.629 589 A CB -1.086 17.852 19.000 -0.103 0.000 0.826 589 A HN 0.584 nan 8.150 nan 0.000 0.447 590 A N -0.260 122.707 122.820 0.244 0.000 1.892 590 A HA 0.048 4.368 4.320 -0.000 0.000 0.218 590 A C 2.487 180.128 177.584 0.095 0.000 1.188 590 A CA 2.538 54.727 52.037 0.254 0.000 0.631 590 A CB -1.114 18.175 19.000 0.481 0.000 0.822 590 A HN 1.277 nan 8.150 nan 0.000 0.447 591 A N -0.868 122.028 122.820 0.127 0.000 2.121 591 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 591 A C 1.938 179.578 177.584 0.094 0.000 1.154 591 A CA 1.730 53.828 52.037 0.102 0.000 0.679 591 A CB -0.388 18.661 19.000 0.083 0.000 0.795 591 A HN 0.740 nan 8.150 nan 0.000 0.458 592 E N 0.068 120.288 120.200 0.034 0.000 2.060 592 E HA -0.096 4.254 4.350 -0.000 0.000 0.189 592 E C 1.970 178.507 176.600 -0.104 0.000 0.974 592 E CA 1.290 57.683 56.400 -0.012 0.000 0.808 592 E CB -0.152 29.529 29.700 -0.031 0.000 0.768 592 E HN 0.455 nan 8.360 nan 0.000 0.453 593 V N -0.463 119.271 119.914 -0.299 0.000 2.407 593 V HA -0.126 3.994 4.120 -0.000 0.000 0.248 593 V C 2.320 177.971 176.094 -0.738 0.000 1.055 593 V CA 1.724 63.678 62.300 -0.576 0.000 1.049 593 V CB -1.024 30.256 31.823 -0.905 0.000 0.662 593 V HN 0.325 nan 8.190 nan 0.000 0.455 594 A N 1.302 123.878 122.820 -0.406 0.000 1.902 594 A HA 0.085 4.405 4.320 -0.000 0.000 0.217 594 A C 2.389 180.027 177.584 0.091 0.000 1.181 594 A CA 1.956 53.967 52.037 -0.043 0.000 0.623 594 A CB -1.491 17.672 19.000 0.271 0.000 0.818 594 A HN 0.709 nan 8.150 nan 0.000 0.443 595 G N -0.925 107.980 108.800 0.175 0.000 2.433 595 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.216 595 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.216 595 G C 1.601 176.761 174.900 0.433 0.000 1.186 595 G CA 0.956 46.316 45.100 0.433 0.000 0.779 595 G HN 0.593 nan 8.290 nan 0.000 0.543 596 Q N -0.693 119.288 119.800 0.303 0.000 2.112 596 Q HA -0.135 4.205 4.340 -0.000 0.000 0.206 596 Q C 2.433 178.726 176.000 0.489 0.000 0.987 596 Q CA 1.164 57.241 55.803 0.456 0.000 0.858 596 Q CB -0.293 28.723 28.738 0.463 0.000 0.905 596 Q HN 0.433 nan 8.270 nan 0.000 0.420 597 F N 0.129 120.190 119.950 0.185 0.000 2.063 597 F HA -0.248 4.279 4.527 -0.000 0.000 0.298 597 F C 2.387 178.262 175.800 0.125 0.000 1.109 597 F CA 0.858 58.932 58.000 0.122 0.000 1.212 597 F CB -1.211 37.856 39.000 0.111 0.000 0.973 597 F HN -0.097 nan 8.300 nan 0.000 0.480 598 V N 0.467 120.574 119.914 0.322 0.000 2.261 598 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 598 V C 2.480 178.736 176.094 0.269 0.000 1.047 598 V CA 1.821 64.197 62.300 0.125 0.000 1.015 598 V CB -0.710 30.960 31.823 -0.254 0.000 0.642 598 V HN 0.243 nan 8.190 nan 0.000 0.446 599 I N -0.538 120.296 120.570 0.440 0.000 2.127 599 I HA -0.248 3.921 4.170 -0.000 0.000 0.241 599 I C 2.708 179.103 176.117 0.463 0.000 1.075 599 I CA 1.496 63.108 61.300 0.520 0.000 1.334 599 I CB -0.549 37.741 38.000 0.483 0.000 1.040 599 I HN 0.232 nan 8.210 nan 0.000 0.405 600 K N 0.947 121.561 120.400 0.357 0.000 2.032 600 K HA -0.118 4.202 4.320 -0.000 0.000 0.209 600 K C 1.997 178.690 176.600 0.154 0.000 1.048 600 K CA 1.497 57.882 56.287 0.164 0.000 0.927 600 K CB -0.693 31.807 32.500 0.001 0.000 0.712 600 K HN 0.363 nan 8.250 nan 0.000 0.441 601 L N 1.018 122.360 121.223 0.199 0.000 2.633 601 L HA -0.092 4.247 4.340 -0.000 0.000 0.235 601 L C 1.422 178.468 176.870 0.294 0.000 1.163 601 L CA 0.752 55.741 54.840 0.248 0.000 0.859 601 L CB -0.267 42.005 42.059 0.354 0.000 0.973 601 L HN 0.209 nan 8.230 nan 0.000 0.451 602 T N -4.164 110.557 114.554 0.280 0.000 3.115 602 T HA -0.050 4.300 4.350 -0.000 0.000 0.256 602 T C 1.606 176.466 174.700 0.265 0.000 0.970 602 T CA 0.037 62.299 62.100 0.270 0.000 1.010 602 T CB -0.139 68.907 68.868 0.296 0.000 1.151 602 T HN 0.361 nan 8.240 nan 0.000 0.479 603 H N 2.275 121.516 119.070 0.285 0.000 2.272 603 H HA -0.148 4.408 4.556 -0.000 0.000 0.289 603 H C -0.393 175.019 175.328 0.139 0.000 1.100 603 H CA 1.919 58.130 56.048 0.271 0.000 1.209 603 H CB -0.262 29.670 29.762 0.282 0.000 1.348 603 H HN 0.343 nan 8.280 nan 0.000 0.481 604 D N -0.288 119.885 120.400 -0.379 0.000 2.340 604 D HA 0.118 4.758 4.640 -0.000 0.000 0.251 604 D C 1.104 177.309 176.300 -0.158 0.000 1.080 604 D CA 0.191 53.942 54.000 -0.416 0.000 0.971 604 D CB 2.351 42.839 40.800 -0.520 0.000 1.137 604 D HN 0.120 nan 8.370 nan 0.000 0.475 605 V N 0.161 120.006 119.914 -0.115 0.000 2.719 605 V HA -0.084 4.036 4.120 -0.000 0.000 0.252 605 V C -0.128 175.932 176.094 -0.056 0.000 1.065 605 V CA 1.321 63.591 62.300 -0.051 0.000 1.086 605 V CB -0.419 31.396 31.823 -0.013 0.000 0.700 605 V HN 0.464 nan 8.190 nan 0.000 0.467 606 E N 1.727 121.858 120.200 -0.115 0.000 2.229 606 E HA 0.311 4.661 4.350 -0.000 0.000 0.283 606 E C -0.276 176.205 176.600 -0.199 0.000 1.030 606 E CA -0.362 55.938 56.400 -0.166 0.000 0.836 606 E CB 0.889 30.398 29.700 -0.319 0.000 1.068 606 E HN 0.153 nan 8.360 nan 0.000 0.401 607 L N 4.005 125.130 121.223 -0.163 0.000 2.485 607 L HA 0.113 4.453 4.340 -0.000 0.000 0.279 607 L C -0.700 176.060 176.870 -0.184 0.000 1.124 607 L CA 0.117 54.823 54.840 -0.224 0.000 0.888 607 L CB -0.288 41.627 42.059 -0.240 0.000 1.217 607 L HN 0.504 nan 8.230 nan 0.000 0.464 608 N N 7.332 125.929 118.700 -0.172 0.000 2.663 608 N HA 0.257 4.997 4.740 -0.000 0.000 0.250 608 N C -0.627 174.842 175.510 -0.068 0.000 1.129 608 N CA 0.057 53.022 53.050 -0.141 0.000 0.995 608 N CB 0.583 38.976 38.487 -0.156 0.000 1.324 608 N HN 0.562 nan 8.380 nan 0.000 0.512 609 L N 0.773 121.994 121.223 -0.002 0.000 2.386 609 L HA 0.323 4.662 4.340 -0.000 0.000 0.271 609 L C -0.185 176.706 176.870 0.036 0.000 0.993 609 L CA -0.920 53.958 54.840 0.063 0.000 0.819 609 L CB 2.063 44.219 42.059 0.161 0.000 1.294 609 L HN 0.097 nan 8.230 nan 0.000 0.414 610 D N 1.775 122.171 120.400 -0.007 0.000 2.671 610 D HA 0.017 4.657 4.640 -0.000 0.000 0.228 610 D C 0.847 177.133 176.300 -0.023 0.000 1.102 610 D CA 0.123 54.064 54.000 -0.099 0.000 1.044 610 D CB -0.059 40.715 40.800 -0.043 0.000 1.113 610 D HN 0.369 nan 8.370 nan 0.000 0.480 611 Y N -0.627 119.763 120.300 0.149 0.000 2.680 611 Y HA 0.010 4.560 4.550 -0.000 0.000 0.303 611 Y C 1.294 177.329 175.900 0.225 0.000 1.166 611 Y CA 0.282 58.528 58.100 0.243 0.000 1.344 611 Y CB -0.557 38.020 38.460 0.196 0.000 1.002 611 Y HN 0.155 nan 8.280 nan 0.000 0.537 612 E N 0.895 121.002 120.200 -0.154 0.000 2.051 612 E HA -0.127 4.223 4.350 -0.000 0.000 0.189 612 E C 1.782 178.392 176.600 0.017 0.000 0.979 612 E CA 0.819 57.170 56.400 -0.082 0.000 0.803 612 E CB -0.171 29.406 29.700 -0.205 0.000 0.761 612 E HN 0.475 nan 8.360 nan 0.000 0.451 613 E N 0.462 120.641 120.200 -0.034 0.000 2.352 613 E HA -0.226 4.124 4.350 -0.000 0.000 0.203 613 E C 1.512 178.026 176.600 -0.144 0.000 1.024 613 E CA 1.119 57.462 56.400 -0.095 0.000 0.842 613 E CB -0.237 29.370 29.700 -0.154 0.000 0.753 613 E HN 0.484 nan 8.360 nan 0.000 0.508 614 Y N 0.684 121.002 120.300 0.030 0.000 2.516 614 Y HA -0.030 4.520 4.550 -0.000 0.000 0.291 614 Y C 2.202 178.133 175.900 0.051 0.000 1.131 614 Y CA 0.378 58.444 58.100 -0.057 0.000 1.281 614 Y CB 0.157 38.598 38.460 -0.033 0.000 1.013 614 Y HN 0.027 nan 8.280 nan 0.000 0.554 615 N N -0.513 118.351 118.700 0.273 0.000 2.106 615 N HA -0.155 4.585 4.740 -0.000 0.000 0.188 615 N C 1.914 177.565 175.510 0.234 0.000 1.029 615 N CA 1.628 54.843 53.050 0.276 0.000 0.848 615 N CB -0.312 38.211 38.487 0.059 0.000 1.007 615 N HN 0.202 nan 8.380 nan 0.000 0.423 616 S N 1.297 117.083 115.700 0.143 0.000 2.343 616 S HA -0.105 4.365 4.470 -0.000 0.000 0.219 616 S C 1.833 176.501 174.600 0.114 0.000 1.033 616 S CA 0.890 59.161 58.200 0.119 0.000 1.014 616 S CB -0.317 62.915 63.200 0.053 0.000 0.915 616 S HN 0.307 nan 8.310 nan 0.000 0.435 617 Q N 0.361 120.189 119.800 0.047 0.000 2.173 617 Q HA -0.102 4.238 4.340 -0.000 0.000 0.208 617 Q C 2.133 178.311 176.000 0.296 0.000 0.989 617 Q CA 1.058 56.919 55.803 0.098 0.000 0.872 617 Q CB -0.593 28.033 28.738 -0.187 0.000 0.909 617 Q HN 0.354 nan 8.270 nan 0.000 0.420 618 L N 0.025 121.412 121.223 0.274 0.000 2.131 618 L HA -0.034 4.306 4.340 -0.000 0.000 0.206 618 L C 2.199 179.221 176.870 0.253 0.000 1.087 618 L CA 1.060 56.083 54.840 0.304 0.000 0.767 618 L CB -0.792 41.416 42.059 0.248 0.000 0.917 618 L HN 0.243 nan 8.230 nan 0.000 0.441 619 L N -1.831 119.519 121.223 0.212 0.000 2.093 619 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 619 L C 2.554 179.492 176.870 0.114 0.000 1.085 619 L CA 1.727 56.658 54.840 0.151 0.000 0.755 619 L CB -0.426 41.731 42.059 0.165 0.000 0.904 619 L HN 0.284 nan 8.230 nan 0.000 0.435 620 S N -0.607 115.177 115.700 0.141 0.000 2.370 620 S HA -0.266 4.204 4.470 -0.000 0.000 0.226 620 S C 1.861 176.537 174.600 0.127 0.000 1.033 620 S CA 1.681 59.953 58.200 0.120 0.000 1.011 620 S CB -0.659 62.620 63.200 0.131 0.000 0.852 620 S HN 0.625 nan 8.310 nan 0.000 0.457 621 F N 2.558 122.505 119.950 -0.005 0.000 2.026 621 F HA -0.101 4.426 4.527 -0.000 0.000 0.296 621 F C 2.149 177.913 175.800 -0.060 0.000 1.133 621 F CA 1.852 59.813 58.000 -0.065 0.000 1.188 621 F CB -1.162 37.745 39.000 -0.154 0.000 0.968 621 F HN 0.059 nan 8.300 nan 0.000 0.476 622 V N 1.738 121.468 119.914 -0.308 0.000 2.277 622 V HA -0.392 3.728 4.120 -0.000 0.000 0.253 622 V C 2.730 178.638 176.094 -0.310 0.000 1.067 622 V CA 2.281 64.299 62.300 -0.470 0.000 1.047 622 V CB -0.928 30.701 31.823 -0.323 0.000 0.649 622 V HN 0.311 nan 8.190 nan 0.000 0.447 623 R N 0.052 120.471 120.500 -0.136 0.000 2.096 623 R HA -0.190 4.150 4.340 -0.000 0.000 0.229 623 R C 2.171 178.438 176.300 -0.056 0.000 1.134 623 R CA 1.979 58.044 56.100 -0.059 0.000 0.917 623 R CB -1.460 28.840 30.300 -0.001 0.000 0.832 623 R HN 0.572 nan 8.270 nan 0.000 0.430 624 D N 0.852 121.235 120.400 -0.028 0.000 2.172 624 D HA -0.182 4.458 4.640 -0.000 0.000 0.196 624 D C 1.833 178.187 176.300 0.089 0.000 0.999 624 D CA 0.907 54.932 54.000 0.042 0.000 0.856 624 D CB -0.078 40.772 40.800 0.083 0.000 0.934 624 D HN 0.070 nan 8.370 nan 0.000 0.453 625 L N 0.744 121.895 121.223 -0.119 0.000 2.156 625 L HA -0.016 4.323 4.340 -0.000 0.000 0.208 625 L C 1.556 178.473 176.870 0.077 0.000 1.095 625 L CA 1.369 56.153 54.840 -0.093 0.000 0.770 625 L CB -0.710 41.033 42.059 -0.526 0.000 0.914 625 L HN -0.058 nan 8.230 nan 0.000 0.439 626 N N -0.181 118.513 118.700 -0.010 0.000 2.520 626 N HA -0.133 4.606 4.740 -0.000 0.000 0.185 626 N C 1.442 176.949 175.510 -0.005 0.000 1.068 626 N CA 0.625 53.691 53.050 0.028 0.000 0.911 626 N CB -0.091 38.412 38.487 0.026 0.000 0.961 626 N HN 0.614 nan 8.380 nan 0.000 0.446 627 Q N -0.769 118.994 119.800 -0.061 0.000 2.488 627 Q HA -0.046 4.294 4.340 -0.000 0.000 0.211 627 Q C 0.208 175.890 176.000 -0.530 0.000 0.967 627 Q CA 0.721 56.340 55.803 -0.306 0.000 0.926 627 Q CB 0.095 28.576 28.738 -0.430 0.000 0.992 627 Q HN 0.538 nan 8.270 nan 0.000 0.506 628 Y N -1.369 118.898 120.300 -0.055 0.000 2.660 628 Y HA 0.259 4.809 4.550 -0.000 0.000 0.254 628 Y C 1.596 177.466 175.900 -0.050 0.000 1.176 628 Y CA -0.567 57.489 58.100 -0.073 0.000 1.195 628 Y CB 0.224 38.622 38.460 -0.102 0.000 1.190 628 Y HN -0.068 nan 8.280 nan 0.000 0.535 629 R N 0.813 121.353 120.500 0.067 0.000 2.211 629 R HA -0.224 4.116 4.340 -0.000 0.000 0.240 629 R C 2.100 178.424 176.300 0.039 0.000 1.144 629 R CA 1.250 57.390 56.100 0.065 0.000 0.992 629 R CB -0.037 30.291 30.300 0.046 0.000 0.869 629 R HN 0.451 nan 8.270 nan 0.000 0.462 630 A N 0.773 123.597 122.820 0.006 0.000 1.854 630 A HA -0.155 4.165 4.320 -0.000 0.000 0.214 630 A C 1.680 179.260 177.584 -0.007 0.000 1.192 630 A CA 1.585 53.617 52.037 -0.010 0.000 0.611 630 A CB -0.373 18.605 19.000 -0.037 0.000 0.832 630 A HN 0.286 nan 8.150 nan 0.000 0.442 631 D N 0.156 120.547 120.400 -0.016 0.000 2.117 631 D HA -0.121 4.518 4.640 -0.000 0.000 0.197 631 D C 1.897 178.181 176.300 -0.027 0.000 0.987 631 D CA 1.108 55.069 54.000 -0.066 0.000 0.829 631 D CB -0.250 40.461 40.800 -0.148 0.000 0.961 631 D HN 0.294 nan 8.370 nan 0.000 0.460 632 I N 1.179 121.770 120.570 0.034 0.000 2.423 632 I HA -0.206 3.964 4.170 -0.000 0.000 0.254 632 I C 2.276 178.453 176.117 0.100 0.000 1.151 632 I CA 1.012 62.378 61.300 0.110 0.000 1.421 632 I CB -0.670 37.425 38.000 0.158 0.000 1.079 632 I HN -0.053 nan 8.210 nan 0.000 0.431 633 K N 1.093 121.530 120.400 0.061 0.000 2.098 633 K HA -0.071 4.249 4.320 -0.000 0.000 0.203 633 K C 1.879 178.506 176.600 0.045 0.000 1.051 633 K CA 0.845 57.163 56.287 0.053 0.000 0.957 633 K CB -0.007 32.513 32.500 0.032 0.000 0.738 633 K HN 0.340 nan 8.250 nan 0.000 0.447 634 E N 0.139 120.354 120.200 0.026 0.000 2.130 634 E HA -0.138 4.211 4.350 -0.000 0.000 0.196 634 E C 0.486 177.114 176.600 0.048 0.000 0.998 634 E CA 0.864 57.278 56.400 0.024 0.000 0.806 634 E CB -0.012 29.688 29.700 0.001 0.000 0.738 634 E HN 0.264 nan 8.360 nan 0.000 0.459 635 M N -0.491 119.150 119.600 0.068 0.000 2.274 635 M HA 0.147 4.627 4.480 -0.000 0.000 0.344 635 M C 1.355 177.721 176.300 0.110 0.000 1.161 635 M CA -0.132 55.232 55.300 0.107 0.000 1.126 635 M CB 1.211 33.907 32.600 0.162 0.000 1.522 635 M HN -0.010 nan 8.290 nan 0.000 0.461 636 G N 2.475 111.340 108.800 0.108 0.000 2.586 636 G HA2 0.013 3.973 3.960 -0.000 0.000 0.215 636 G HA3 0.013 3.973 3.960 -0.000 0.000 0.215 636 G C 0.594 175.574 174.900 0.133 0.000 1.128 636 G CA -0.045 45.118 45.100 0.105 0.000 0.774 636 G HN 0.576 nan 8.290 nan 0.000 0.543 637 L N 1.124 122.445 121.223 0.163 0.000 2.615 637 L HA -0.024 4.316 4.340 -0.000 0.000 0.284 637 L C 1.848 178.837 176.870 0.198 0.000 1.237 637 L CA -0.022 54.937 54.840 0.199 0.000 0.905 637 L CB 0.780 42.985 42.059 0.243 0.000 1.149 637 L HN 0.171 nan 8.230 nan 0.000 0.499 638 S N 3.338 119.191 115.700 0.255 0.000 2.486 638 S HA -0.008 4.462 4.470 -0.000 0.000 0.220 638 S C 1.395 176.126 174.600 0.219 0.000 1.011 638 S CA 0.253 58.582 58.200 0.215 0.000 0.921 638 S CB -0.160 63.179 63.200 0.232 0.000 0.785 638 S HN 0.634 nan 8.310 nan 0.000 0.517 639 L N 0.929 122.329 121.223 0.296 0.000 4.312 639 L HA -0.300 4.040 4.340 -0.000 0.000 0.427 639 L C 1.170 178.268 176.870 0.379 0.000 1.149 639 L CA 1.602 56.626 54.840 0.306 0.000 0.978 639 L CB -1.088 41.141 42.059 0.284 0.000 1.963 639 L HN 0.506 nan 8.230 nan 0.000 0.970 640 Q N -0.934 119.021 119.800 0.258 0.000 2.163 640 Q HA -0.097 4.243 4.340 -0.000 0.000 0.198 640 Q C 1.704 177.790 176.000 0.145 0.000 0.954 640 Q CA 1.909 57.775 55.803 0.105 0.000 0.851 640 Q CB -0.224 28.448 28.738 -0.111 0.000 0.928 640 Q HN 0.693 nan 8.270 nan 0.000 0.459 641 W N 0.103 121.504 121.300 0.168 0.000 2.392 641 W HA -0.117 4.543 4.660 -0.000 0.000 0.279 641 W C 1.659 178.105 176.519 -0.122 0.000 1.225 641 W CA 0.696 58.039 57.345 -0.002 0.000 1.233 641 W CB -0.257 29.153 29.460 -0.084 0.000 1.122 641 W HN 0.335 nan 8.180 nan 0.000 0.561 642 L N -0.266 121.069 121.223 0.188 0.000 2.027 642 L HA -0.182 4.158 4.340 -0.000 0.000 0.206 642 L C 2.159 179.047 176.870 0.031 0.000 1.074 642 L CA 1.939 56.810 54.840 0.051 0.000 0.745 642 L CB -1.438 40.625 42.059 0.007 0.000 0.898 642 L HN -0.145 nan 8.230 nan 0.000 0.433 643 Y N -0.202 120.082 120.300 -0.027 0.000 2.165 643 Y HA -0.210 4.339 4.550 -0.000 0.000 0.286 643 Y C 2.778 178.627 175.900 -0.084 0.000 1.155 643 Y CA 1.602 59.678 58.100 -0.040 0.000 1.164 643 Y CB -1.128 37.298 38.460 -0.058 0.000 0.978 643 Y HN 0.205 nan 8.280 nan 0.000 0.513 644 S N -0.037 115.649 115.700 -0.024 0.000 2.359 644 S HA -0.263 4.207 4.470 -0.000 0.000 0.224 644 S C 2.367 176.923 174.600 -0.073 0.000 1.035 644 S CA 1.083 59.157 58.200 -0.210 0.000 1.018 644 S CB -0.813 62.012 63.200 -0.625 0.000 0.876 644 S HN 0.531 nan 8.310 nan 0.000 0.448 645 A N 2.476 125.273 122.820 -0.039 0.000 1.835 645 A HA -0.176 4.144 4.320 -0.000 0.000 0.215 645 A C 2.049 179.713 177.584 0.133 0.000 1.199 645 A CA 2.138 54.192 52.037 0.028 0.000 0.615 645 A CB -0.832 18.156 19.000 -0.020 0.000 0.838 645 A HN 0.449 nan 8.150 nan 0.000 0.444 646 R N 0.039 120.614 120.500 0.124 0.000 2.153 646 R HA -0.132 4.207 4.340 -0.000 0.000 0.252 646 R C 1.910 178.393 176.300 0.304 0.000 1.158 646 R CA 2.511 58.735 56.100 0.206 0.000 0.975 646 R CB -1.163 29.212 30.300 0.126 0.000 0.871 646 R HN 0.409 nan 8.270 nan 0.000 0.450 647 G N -0.579 108.342 108.800 0.201 0.000 2.417 647 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.212 647 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.212 647 G C 0.966 175.995 174.900 0.214 0.000 1.187 647 G CA 0.547 45.761 45.100 0.191 0.000 0.804 647 G HN 0.372 nan 8.290 nan 0.000 0.534 648 D N -0.512 119.974 120.400 0.144 0.000 2.271 648 D HA -0.120 4.520 4.640 -0.000 0.000 0.207 648 D C 1.756 178.165 176.300 0.182 0.000 0.983 648 D CA 0.602 54.677 54.000 0.125 0.000 0.878 648 D CB -0.129 40.724 40.800 0.089 0.000 0.920 648 D HN 0.293 nan 8.370 nan 0.000 0.479 649 F N -0.978 119.045 119.950 0.122 0.000 2.262 649 F HA 0.049 4.576 4.527 -0.000 0.000 0.292 649 F C 1.835 177.741 175.800 0.177 0.000 1.081 649 F CA 0.436 58.510 58.000 0.125 0.000 1.355 649 F CB -0.292 38.800 39.000 0.154 0.000 1.069 649 F HN -0.097 nan 8.300 nan 0.000 0.506 650 F N 1.347 121.426 119.950 0.215 0.000 2.095 650 F HA -0.228 4.299 4.527 -0.000 0.000 0.298 650 F C 2.577 178.381 175.800 0.007 0.000 1.104 650 F CA 1.873 59.953 58.000 0.134 0.000 1.232 650 F CB -0.328 38.769 39.000 0.160 0.000 0.987 650 F HN -0.203 nan 8.300 nan 0.000 0.475 651 R N 0.100 120.776 120.500 0.294 0.000 2.080 651 R HA -0.221 4.118 4.340 -0.000 0.000 0.236 651 R C 2.451 178.752 176.300 0.003 0.000 1.137 651 R CA 1.324 57.519 56.100 0.158 0.000 0.943 651 R CB -1.098 29.263 30.300 0.103 0.000 0.846 651 R HN 0.410 nan 8.270 nan 0.000 0.431 652 A N 0.919 123.679 122.820 -0.100 0.000 1.915 652 A HA -0.281 4.038 4.320 -0.000 0.000 0.220 652 A C 2.336 179.753 177.584 -0.278 0.000 1.198 652 A CA 2.639 54.539 52.037 -0.227 0.000 0.647 652 A CB -1.248 17.534 19.000 -0.363 0.000 0.825 652 A HN 0.612 nan 8.150 nan 0.000 0.456 653 T N -3.499 110.850 114.554 -0.342 0.000 2.904 653 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 653 T C 2.017 176.705 174.700 -0.019 0.000 1.059 653 T CA 1.850 63.833 62.100 -0.195 0.000 1.137 653 T CB -0.563 68.211 68.868 -0.156 0.000 0.879 653 T HN 0.453 nan 8.240 nan 0.000 0.467 654 S N 0.800 116.483 115.700 -0.030 0.000 2.423 654 S HA -0.049 4.421 4.470 -0.000 0.000 0.231 654 S C 2.292 176.918 174.600 0.044 0.000 1.014 654 S CA 0.541 58.773 58.200 0.054 0.000 0.965 654 S CB -0.370 62.912 63.200 0.137 0.000 0.785 654 S HN 0.570 nan 8.310 nan 0.000 0.495 655 R N 0.010 120.503 120.500 -0.010 0.000 2.055 655 R HA 0.042 4.382 4.340 -0.000 0.000 0.228 655 R C 2.372 178.637 176.300 -0.059 0.000 1.143 655 R CA 1.359 57.440 56.100 -0.033 0.000 0.945 655 R CB -0.884 29.376 30.300 -0.066 0.000 0.841 655 R HN 0.410 nan 8.270 nan 0.000 0.429 656 L N 0.998 122.144 121.223 -0.128 0.000 1.997 656 L HA -0.226 4.113 4.340 -0.000 0.000 0.216 656 L C 2.278 179.169 176.870 0.035 0.000 1.074 656 L CA 2.212 56.927 54.840 -0.208 0.000 0.763 656 L CB -1.114 40.692 42.059 -0.421 0.000 0.890 656 L HN 0.126 nan 8.230 nan 0.000 0.434 657 T N -2.023 112.663 114.554 0.220 0.000 2.897 657 T HA -0.155 4.194 4.350 -0.000 0.000 0.271 657 T C 1.570 176.405 174.700 0.226 0.000 1.084 657 T CA 1.849 64.166 62.100 0.362 0.000 1.123 657 T CB -0.258 68.776 68.868 0.276 0.000 0.865 657 T HN 0.622 nan 8.240 nan 0.000 0.496 658 T N 0.775 115.403 114.554 0.124 0.000 2.818 658 T HA -0.008 4.342 4.350 -0.000 0.000 0.246 658 T C 1.624 176.367 174.700 0.072 0.000 1.036 658 T CA 0.736 62.889 62.100 0.088 0.000 1.160 658 T CB -0.429 68.470 68.868 0.051 0.000 0.869 658 T HN 0.293 nan 8.240 nan 0.000 0.419 659 D N 0.872 121.269 120.400 -0.005 0.000 2.200 659 D HA -0.134 4.505 4.640 -0.000 0.000 0.192 659 D C 1.744 178.030 176.300 -0.024 0.000 1.008 659 D CA 1.245 55.207 54.000 -0.063 0.000 0.872 659 D CB -0.426 40.266 40.800 -0.180 0.000 0.923 659 D HN 0.356 nan 8.370 nan 0.000 0.447 660 F N 0.996 120.951 119.950 0.008 0.000 2.046 660 F HA -0.166 4.361 4.527 -0.000 0.000 0.297 660 F C 2.738 178.549 175.800 0.019 0.000 1.123 660 F CA 1.346 59.356 58.000 0.015 0.000 1.199 660 F CB -0.552 38.471 39.000 0.038 0.000 0.972 660 F HN 0.032 nan 8.300 nan 0.000 0.474 661 G N -0.151 108.797 108.800 0.247 0.000 2.469 661 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.220 661 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.220 661 G C 1.345 176.305 174.900 0.100 0.000 1.136 661 G CA 1.287 46.469 45.100 0.138 0.000 0.759 661 G HN 0.292 nan 8.290 nan 0.000 0.562 662 N N 1.051 119.802 118.700 0.085 0.000 2.463 662 N HA 0.134 4.874 4.740 -0.000 0.000 0.181 662 N C 0.995 176.540 175.510 0.058 0.000 1.078 662 N CA 0.659 53.743 53.050 0.058 0.000 0.902 662 N CB 0.099 38.609 38.487 0.039 0.000 0.970 662 N HN 0.381 nan 8.380 nan 0.000 0.451 663 A N 1.144 124.010 122.820 0.076 0.000 2.302 663 A HA 0.417 4.736 4.320 -0.000 0.000 0.285 663 A C -0.303 177.334 177.584 0.088 0.000 1.105 663 A CA -0.496 51.587 52.037 0.076 0.000 0.816 663 A CB 0.497 19.542 19.000 0.075 0.000 1.067 663 A HN 0.070 nan 8.150 nan 0.000 0.489 664 E N 0.948 121.193 120.200 0.075 0.000 2.197 664 E HA 0.366 4.715 4.350 -0.000 0.000 0.281 664 E C -0.510 176.134 176.600 0.073 0.000 0.995 664 E CA -0.582 55.859 56.400 0.068 0.000 0.808 664 E CB 0.887 30.619 29.700 0.054 0.000 1.093 664 E HN 0.514 nan 8.360 nan 0.000 0.394 665 K N 1.208 121.648 120.400 0.065 0.000 2.720 665 K HA -0.022 4.298 4.320 -0.000 0.000 0.206 665 K C 0.214 176.845 176.600 0.052 0.000 1.000 665 K CA 0.639 56.960 56.287 0.057 0.000 1.067 665 K CB -0.217 32.307 32.500 0.039 0.000 0.861 665 K HN 0.450 nan 8.250 nan 0.000 0.492 666 T N -0.547 114.041 114.554 0.056 0.000 2.964 666 T HA -0.043 4.307 4.350 -0.000 0.000 0.249 666 T C 0.294 175.029 174.700 0.059 0.000 1.000 666 T CA -0.121 62.010 62.100 0.051 0.000 0.992 666 T CB 0.285 69.180 68.868 0.045 0.000 1.087 666 T HN 0.140 nan 8.240 nan 0.000 0.489 667 D N 2.391 122.833 120.400 0.071 0.000 2.551 667 D HA 0.114 4.754 4.640 -0.000 0.000 0.223 667 D C 1.355 177.726 176.300 0.118 0.000 1.144 667 D CA -0.164 53.893 54.000 0.094 0.000 1.025 667 D CB 0.105 40.968 40.800 0.103 0.000 1.085 667 D HN 0.095 nan 8.370 nan 0.000 0.506 668 R N 1.925 122.485 120.500 0.100 0.000 2.204 668 R HA -0.245 4.095 4.340 -0.000 0.000 0.253 668 R C 1.536 177.898 176.300 0.103 0.000 1.172 668 R CA 1.273 57.424 56.100 0.085 0.000 0.994 668 R CB -0.183 30.159 30.300 0.071 0.000 0.874 668 R HN 0.440 nan 8.270 nan 0.000 0.462 669 F N 0.378 120.326 119.950 -0.004 0.000 2.094 669 F HA -0.160 4.367 4.527 -0.000 0.000 0.291 669 F C 2.147 177.935 175.800 -0.019 0.000 1.109 669 F CA 1.525 59.517 58.000 -0.014 0.000 1.221 669 F CB -0.568 38.422 39.000 -0.016 0.000 1.014 669 F HN -0.126 nan 8.300 nan 0.000 0.473 670 V N -1.161 118.949 119.914 0.327 0.000 2.594 670 V HA -0.231 3.889 4.120 -0.000 0.000 0.253 670 V C 2.155 178.234 176.094 -0.025 0.000 1.069 670 V CA 1.613 64.002 62.300 0.148 0.000 1.082 670 V CB -0.842 31.081 31.823 0.167 0.000 0.680 670 V HN 0.388 nan 8.190 nan 0.000 0.469 671 M N 0.143 119.754 119.600 0.018 0.000 2.156 671 M HA -0.002 4.478 4.480 -0.000 0.000 0.264 671 M C 2.284 178.573 176.300 -0.019 0.000 1.067 671 M CA 1.746 57.068 55.300 0.037 0.000 1.131 671 M CB -1.172 31.479 32.600 0.085 0.000 1.368 671 M HN 0.409 nan 8.290 nan 0.000 0.416 672 K N 0.951 121.305 120.400 -0.076 0.000 2.063 672 K HA -0.199 4.120 4.320 -0.000 0.000 0.208 672 K C 1.962 178.462 176.600 -0.165 0.000 1.048 672 K CA 1.409 57.632 56.287 -0.107 0.000 0.928 672 K CB -0.241 32.160 32.500 -0.165 0.000 0.713 672 K HN 0.281 nan 8.250 nan 0.000 0.442 673 K N 0.621 120.843 120.400 -0.297 0.000 2.147 673 K HA -0.096 4.223 4.320 -0.000 0.000 0.205 673 K C 2.207 178.665 176.600 -0.237 0.000 1.049 673 K CA 0.893 56.997 56.287 -0.304 0.000 0.936 673 K CB 0.036 32.305 32.500 -0.385 0.000 0.722 673 K HN 0.114 nan 8.250 nan 0.000 0.446 674 L N 0.509 121.578 121.223 -0.257 0.000 2.049 674 L HA -0.117 4.223 4.340 -0.000 0.000 0.203 674 L C 2.118 178.866 176.870 -0.203 0.000 1.074 674 L CA 0.732 55.328 54.840 -0.407 0.000 0.749 674 L CB -0.730 40.829 42.059 -0.833 0.000 0.907 674 L HN 0.170 nan 8.230 nan 0.000 0.439 675 N N 0.412 119.118 118.700 0.009 0.000 2.192 675 N HA -0.220 4.520 4.740 -0.000 0.000 0.188 675 N C 1.388 176.909 175.510 0.018 0.000 1.013 675 N CA 1.535 54.648 53.050 0.105 0.000 0.863 675 N CB -0.358 38.188 38.487 0.098 0.000 0.990 675 N HN 0.371 nan 8.380 nan 0.000 0.430 676 D N 0.689 121.092 120.400 0.005 0.000 2.144 676 D HA -0.082 4.558 4.640 -0.000 0.000 0.199 676 D C 1.989 178.274 176.300 -0.025 0.000 0.984 676 D CA 0.651 54.658 54.000 0.012 0.000 0.834 676 D CB 0.018 40.824 40.800 0.009 0.000 0.955 676 D HN 0.316 nan 8.370 nan 0.000 0.465 677 R N 0.614 121.060 120.500 -0.090 0.000 2.081 677 R HA -0.072 4.268 4.340 -0.000 0.000 0.235 677 R C 2.471 178.712 176.300 -0.098 0.000 1.131 677 R CA 0.604 56.628 56.100 -0.127 0.000 0.960 677 R CB -0.719 29.441 30.300 -0.233 0.000 0.856 677 R HN 0.131 nan 8.270 nan 0.000 0.436 678 V N 1.570 121.438 119.914 -0.077 0.000 2.332 678 V HA -0.251 3.868 4.120 -0.000 0.000 0.248 678 V C 2.393 178.531 176.094 0.072 0.000 1.055 678 V CA 1.720 64.020 62.300 0.000 0.000 1.038 678 V CB -0.436 31.465 31.823 0.130 0.000 0.651 678 V HN 0.296 nan 8.190 nan 0.000 0.450 679 M N -0.863 118.762 119.600 0.042 0.000 2.549 679 M HA -0.108 4.371 4.480 -0.000 0.000 0.260 679 M C 2.164 178.545 176.300 0.133 0.000 1.076 679 M CA 1.409 56.750 55.300 0.068 0.000 1.090 679 M CB -0.108 32.467 32.600 -0.043 0.000 1.418 679 M HN 0.259 nan 8.290 nan 0.000 0.486 680 R N -1.591 118.987 120.500 0.130 0.000 2.156 680 R HA 0.039 4.379 4.340 -0.000 0.000 0.207 680 R C 1.941 178.382 176.300 0.235 0.000 1.040 680 R CA 0.588 56.816 56.100 0.214 0.000 1.013 680 R CB -0.280 30.177 30.300 0.262 0.000 0.931 680 R HN 0.202 nan 8.270 nan 0.000 0.465 681 V N 1.956 121.969 119.914 0.165 0.000 2.226 681 V HA -0.361 3.759 4.120 -0.000 0.000 0.254 681 V C 2.299 178.504 176.094 0.184 0.000 1.065 681 V CA 2.461 64.868 62.300 0.177 0.000 1.039 681 V CB -0.561 31.417 31.823 0.259 0.000 0.653 681 V HN 0.313 nan 8.190 nan 0.000 0.450 682 E N -0.700 119.647 120.200 0.244 0.000 2.038 682 E HA -0.263 4.086 4.350 -0.000 0.000 0.195 682 E C 2.088 178.842 176.600 0.256 0.000 1.000 682 E CA 1.929 58.507 56.400 0.297 0.000 0.803 682 E CB -0.581 29.317 29.700 0.330 0.000 0.750 682 E HN 0.673 nan 8.360 nan 0.000 0.448 683 Y N 0.592 120.891 120.300 -0.002 0.000 2.165 683 Y HA -0.249 4.301 4.550 -0.000 0.000 0.286 683 Y C 2.003 177.731 175.900 -0.286 0.000 1.155 683 Y CA 2.251 60.221 58.100 -0.217 0.000 1.164 683 Y CB -0.373 37.675 38.460 -0.687 0.000 0.978 683 Y HN 0.268 nan 8.280 nan 0.000 0.513 684 H N -1.083 117.780 119.070 -0.346 0.000 2.567 684 H HA -0.064 4.492 4.556 -0.000 0.000 0.276 684 H C 0.700 175.684 175.328 -0.574 0.000 1.016 684 H CA 0.983 56.736 56.048 -0.491 0.000 1.186 684 H CB -0.561 28.986 29.762 -0.359 0.000 1.351 684 H HN 0.429 nan 8.280 nan 0.000 0.605 685 F N 0.232 119.996 119.950 -0.311 0.000 2.641 685 F HA 0.177 4.704 4.527 -0.000 0.000 0.302 685 F C 0.518 176.022 175.800 -0.494 0.000 1.098 685 F CA -0.138 57.609 58.000 -0.421 0.000 1.318 685 F CB 0.539 39.165 39.000 -0.624 0.000 1.035 685 F HN -0.087 nan 8.300 nan 0.000 0.551 686 L N 0.420 121.471 121.223 -0.286 0.000 2.260 686 L HA 0.210 4.550 4.340 -0.000 0.000 0.289 686 L C 0.829 177.591 176.870 -0.180 0.000 1.057 686 L CA -0.645 54.064 54.840 -0.217 0.000 0.811 686 L CB 1.142 43.002 42.059 -0.331 0.000 1.184 686 L HN -0.095 nan 8.230 nan 0.000 0.429 687 S N 5.995 121.676 115.700 -0.031 0.000 2.998 687 S HA 0.023 4.493 4.470 -0.000 0.000 0.348 687 S C -1.320 173.237 174.600 -0.071 0.000 1.210 687 S CA -0.844 57.375 58.200 0.032 0.000 1.118 687 S CB 0.249 63.531 63.200 0.137 0.000 0.832 687 S HN 0.453 nan 8.310 nan 0.000 0.516 688 P HA 0.123 nan 4.420 nan 0.000 0.253 688 P C -0.544 176.428 177.300 -0.547 0.000 1.508 688 P CA 0.192 63.075 63.100 -0.361 0.000 0.883 688 P CB -0.339 31.105 31.700 -0.427 0.000 1.519 689 Y N -0.469 119.791 120.300 -0.067 0.000 2.588 689 Y HA 0.176 4.725 4.550 -0.000 0.000 0.247 689 Y C 1.009 176.863 175.900 -0.076 0.000 1.157 689 Y CA -0.541 57.525 58.100 -0.056 0.000 1.215 689 Y CB 0.847 39.288 38.460 -0.031 0.000 1.245 689 Y HN -0.187 nan 8.280 nan 0.000 0.534 690 V N -2.499 117.397 119.914 -0.029 0.000 2.656 690 V HA 0.608 4.728 4.120 -0.000 0.000 0.307 690 V C -0.053 175.978 176.094 -0.106 0.000 1.051 690 V CA -1.219 61.021 62.300 -0.099 0.000 0.893 690 V CB 1.803 33.456 31.823 -0.283 0.000 0.999 690 V HN -0.009 nan 8.190 nan 0.000 0.426 691 S N 4.085 119.744 115.700 -0.069 0.000 2.499 691 S HA 0.443 4.913 4.470 -0.000 0.000 0.275 691 S C -1.318 173.267 174.600 -0.025 0.000 1.257 691 S CA -0.953 57.223 58.200 -0.040 0.000 1.050 691 S CB 1.233 64.427 63.200 -0.011 0.000 0.937 691 S HN 0.758 nan 8.310 nan 0.000 0.490 692 P HA -0.141 nan 4.420 nan 0.000 0.217 692 P C 1.316 178.664 177.300 0.080 0.000 1.148 692 P CA 0.987 64.128 63.100 0.068 0.000 0.828 692 P CB 0.140 31.914 31.700 0.123 0.000 0.783 693 K N -0.336 120.127 120.400 0.104 0.000 2.147 693 K HA -0.170 4.149 4.320 -0.000 0.000 0.205 693 K C 1.540 178.194 176.600 0.090 0.000 1.049 693 K CA 1.280 57.661 56.287 0.157 0.000 0.936 693 K CB 0.034 32.639 32.500 0.174 0.000 0.722 693 K HN 0.088 nan 8.250 nan 0.000 0.446 694 E N -0.195 120.030 120.200 0.041 0.000 2.079 694 E HA 0.047 4.397 4.350 -0.000 0.000 0.191 694 E C 0.212 176.810 176.600 -0.002 0.000 0.961 694 E CA 0.501 56.916 56.400 0.025 0.000 0.823 694 E CB 0.408 30.117 29.700 0.015 0.000 0.789 694 E HN -0.055 nan 8.360 nan 0.000 0.459 695 S N 2.771 118.448 115.700 -0.038 0.000 2.399 695 S HA 0.198 4.668 4.470 -0.000 0.000 0.215 695 S C -1.949 172.599 174.600 -0.086 0.000 1.456 695 S CA -1.046 57.126 58.200 -0.047 0.000 1.199 695 S CB 1.848 65.003 63.200 -0.074 0.000 1.063 695 S HN 0.008 nan 8.310 nan 0.000 0.476 696 P HA -0.113 nan 4.420 nan 0.000 0.218 696 P C 0.110 177.354 177.300 -0.093 0.000 1.148 696 P CA 1.040 64.021 63.100 -0.200 0.000 0.822 696 P CB -0.093 31.240 31.700 -0.611 0.000 0.784 697 F N 0.494 120.573 119.950 0.215 0.000 2.541 697 F HA 0.307 4.834 4.527 -0.000 0.000 0.351 697 F C 1.850 177.871 175.800 0.368 0.000 1.209 697 F CA -0.731 57.406 58.000 0.229 0.000 1.277 697 F CB 0.026 39.163 39.000 0.228 0.000 1.632 697 F HN -0.278 nan 8.300 nan 0.000 0.619 698 R N -0.825 119.890 120.500 0.359 0.000 2.235 698 R HA -0.099 4.241 4.340 -0.000 0.000 0.213 698 R C 0.341 176.851 176.300 0.350 0.000 1.059 698 R CA 0.182 56.447 56.100 0.276 0.000 0.997 698 R CB -0.340 29.958 30.300 -0.002 0.000 0.884 698 R HN 0.428 nan 8.270 nan 0.000 0.462 699 H N 1.253 120.452 119.070 0.215 0.000 3.217 699 H HA -0.048 4.508 4.556 -0.000 0.000 0.272 699 H C 1.561 176.922 175.328 0.054 0.000 0.929 699 H CA -0.127 55.999 56.048 0.130 0.000 1.425 699 H CB 0.689 30.544 29.762 0.155 0.000 1.505 699 H HN -0.043 nan 8.280 nan 0.000 0.542 700 V N 2.732 122.532 119.914 -0.191 0.000 2.453 700 V HA -0.297 3.823 4.120 -0.000 0.000 0.252 700 V C 1.662 177.494 176.094 -0.436 0.000 1.068 700 V CA 1.722 63.850 62.300 -0.287 0.000 1.070 700 V CB -0.947 30.672 31.823 -0.339 0.000 0.664 700 V HN 0.540 nan 8.190 nan 0.000 0.461 701 F N -0.419 119.189 119.950 -0.570 0.000 2.220 701 F HA 0.234 4.761 4.527 -0.000 0.000 0.290 701 F C 1.897 177.334 175.800 -0.604 0.000 1.080 701 F CA 1.190 58.676 58.000 -0.855 0.000 1.318 701 F CB -0.301 37.744 39.000 -1.592 0.000 1.063 701 F HN 0.204 nan 8.300 nan 0.000 0.498 702 W N -0.495 121.123 121.300 0.531 0.000 3.008 702 W HA 0.429 5.089 4.660 -0.000 0.000 0.355 702 W C 1.449 178.108 176.519 0.233 0.000 1.095 702 W CA -0.162 57.337 57.345 0.257 0.000 1.738 702 W CB -0.649 28.875 29.460 0.107 0.000 1.091 702 W HN -0.106 nan 8.180 nan 0.000 0.574 703 G N 1.084 110.102 108.800 0.364 0.000 2.468 703 G HA2 0.390 4.350 3.960 -0.000 0.000 0.264 703 G HA3 0.390 4.350 3.960 -0.000 0.000 0.264 703 G C -0.343 174.717 174.900 0.267 0.000 1.460 703 G CA -0.071 45.237 45.100 0.347 0.000 1.060 703 G HN -0.040 nan 8.290 nan 0.000 0.543 704 S N -1.468 114.410 115.700 0.296 0.000 2.603 704 S HA 0.709 5.179 4.470 -0.000 0.000 0.274 704 S C -0.056 174.682 174.600 0.229 0.000 1.168 704 S CA 0.130 58.459 58.200 0.214 0.000 0.963 704 S CB 1.526 64.914 63.200 0.313 0.000 1.078 704 S HN 1.893 nan 8.310 nan 0.000 0.477 705 G N 1.259 110.091 108.800 0.053 0.000 2.368 705 G HA2 0.230 4.190 3.960 -0.000 0.000 0.302 705 G HA3 0.230 4.190 3.960 -0.000 0.000 0.302 705 G C 0.410 175.317 174.900 0.012 0.000 1.329 705 G CA -0.013 45.183 45.100 0.160 0.000 0.935 705 G HN 1.009 nan 8.290 nan 0.000 0.590 706 S N -0.496 115.290 115.700 0.143 0.000 2.481 706 S HA -0.085 4.385 4.470 -0.000 0.000 0.231 706 S C 1.789 176.407 174.600 0.029 0.000 0.996 706 S CA 1.797 60.034 58.200 0.062 0.000 0.942 706 S CB -0.526 62.719 63.200 0.075 0.000 0.768 706 S HN 1.173 nan 8.310 nan 0.000 0.520 707 H N 0.480 119.546 119.070 -0.007 0.000 2.529 707 H HA 0.145 4.701 4.556 -0.000 0.000 0.277 707 H C 0.186 175.467 175.328 -0.079 0.000 0.999 707 H CA 0.726 56.755 56.048 -0.033 0.000 1.256 707 H CB -1.522 28.240 29.762 -0.000 0.000 1.402 707 H HN 0.192 nan 8.280 nan 0.000 0.566 708 T N 2.524 116.724 114.554 -0.590 0.000 2.934 708 T HA -0.018 4.332 4.350 -0.000 0.000 0.306 708 T C 1.480 175.974 174.700 -0.344 0.000 1.042 708 T CA -0.205 61.623 62.100 -0.453 0.000 1.145 708 T CB 0.707 69.379 68.868 -0.328 0.000 0.982 708 T HN 0.088 nan 8.240 nan 0.000 0.544 709 L N 6.479 127.419 121.223 -0.471 0.000 2.027 709 L HA 0.080 4.420 4.340 -0.000 0.000 0.206 709 L C -0.659 176.001 176.870 -0.349 0.000 1.074 709 L CA 1.709 56.177 54.840 -0.620 0.000 0.745 709 L CB -1.379 39.994 42.059 -1.144 0.000 0.898 709 L HN 0.510 nan 8.230 nan 0.000 0.433 710 P HA -0.167 nan 4.420 nan 0.000 0.216 710 P C 1.513 178.782 177.300 -0.051 0.000 1.150 710 P CA 1.850 64.892 63.100 -0.097 0.000 0.837 710 P CB -0.104 31.558 31.700 -0.065 0.000 0.786 711 A N -0.718 122.052 122.820 -0.084 0.000 1.978 711 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 711 A C 2.171 179.759 177.584 0.007 0.000 1.170 711 A CA 1.349 53.361 52.037 -0.041 0.000 0.636 711 A CB -1.650 17.308 19.000 -0.071 0.000 0.810 711 A HN 0.198 nan 8.150 nan 0.000 0.448 712 L N -0.428 120.799 121.223 0.007 0.000 1.976 712 L HA -0.169 4.170 4.340 -0.000 0.000 0.209 712 L C 2.463 179.421 176.870 0.148 0.000 1.071 712 L CA 1.733 56.638 54.840 0.108 0.000 0.746 712 L CB -0.336 41.781 42.059 0.096 0.000 0.890 712 L HN 0.432 nan 8.230 nan 0.000 0.432 713 L N -0.201 121.074 121.223 0.087 0.000 2.012 713 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 713 L C 2.590 179.406 176.870 -0.091 0.000 1.073 713 L CA 1.480 56.278 54.840 -0.069 0.000 0.748 713 L CB -0.780 41.263 42.059 -0.027 0.000 0.891 713 L HN 0.328 nan 8.230 nan 0.000 0.431 714 E N 0.470 120.664 120.200 -0.010 0.000 2.219 714 E HA -0.257 4.093 4.350 -0.000 0.000 0.198 714 E C 1.772 178.388 176.600 0.028 0.000 0.998 714 E CA 1.410 57.813 56.400 0.006 0.000 0.818 714 E CB -0.149 29.560 29.700 0.016 0.000 0.741 714 E HN 0.400 nan 8.360 nan 0.000 0.477 715 N N -1.049 117.692 118.700 0.068 0.000 2.305 715 N HA -0.052 4.687 4.740 -0.000 0.000 0.179 715 N C 1.504 177.120 175.510 0.176 0.000 1.019 715 N CA 0.564 53.706 53.050 0.153 0.000 0.869 715 N CB -0.246 38.364 38.487 0.206 0.000 1.000 715 N HN 0.185 nan 8.380 nan 0.000 0.431 716 L N 1.454 122.675 121.223 -0.003 0.000 2.083 716 L HA -0.019 4.320 4.340 -0.000 0.000 0.209 716 L C 1.823 178.452 176.870 -0.401 0.000 1.083 716 L CA 1.622 56.234 54.840 -0.380 0.000 0.752 716 L CB -0.449 41.251 42.059 -0.598 0.000 0.899 716 L HN 0.106 nan 8.230 nan 0.000 0.433 717 K N -0.667 119.574 120.400 -0.264 0.000 2.113 717 K HA -0.186 4.134 4.320 -0.000 0.000 0.208 717 K C 1.911 178.487 176.600 -0.039 0.000 1.047 717 K CA 1.605 57.865 56.287 -0.046 0.000 0.928 717 K CB -0.410 32.110 32.500 0.034 0.000 0.716 717 K HN 0.386 nan 8.250 nan 0.000 0.446 718 L N 0.483 121.683 121.223 -0.038 0.000 2.362 718 L HA -0.105 4.235 4.340 -0.000 0.000 0.219 718 L C 2.409 179.230 176.870 -0.082 0.000 1.134 718 L CA 0.394 55.237 54.840 0.005 0.000 0.807 718 L CB -0.426 41.699 42.059 0.111 0.000 0.927 718 L HN 0.095 nan 8.230 nan 0.000 0.447 719 R N 1.554 121.837 120.500 -0.361 0.000 2.096 719 R HA -0.184 4.156 4.340 -0.000 0.000 0.240 719 R C 2.110 178.259 176.300 -0.252 0.000 1.139 719 R CA 1.735 57.470 56.100 -0.609 0.000 0.952 719 R CB -0.297 29.402 30.300 -1.001 0.000 0.854 719 R HN 0.249 nan 8.270 nan 0.000 0.436 720 K N 0.069 120.373 120.400 -0.161 0.000 2.152 720 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 720 K C 2.014 178.587 176.600 -0.045 0.000 1.048 720 K CA 1.572 57.811 56.287 -0.081 0.000 0.933 720 K CB -0.118 32.357 32.500 -0.042 0.000 0.721 720 K HN 0.383 nan 8.250 nan 0.000 0.447 721 Q N 0.947 120.730 119.800 -0.029 0.000 2.561 721 Q HA -0.152 4.188 4.340 -0.000 0.000 0.217 721 Q C 0.216 176.218 176.000 0.004 0.000 0.980 721 Q CA 0.836 56.638 55.803 -0.002 0.000 0.927 721 Q CB -0.506 28.241 28.738 0.016 0.000 0.980 721 Q HN 0.486 nan 8.270 nan 0.000 0.525 722 N N -0.502 118.194 118.700 -0.007 0.000 2.707 722 N HA -0.355 4.385 4.740 -0.000 0.000 0.245 722 N C -0.366 175.161 175.510 0.028 0.000 1.103 722 N CA 1.898 54.951 53.050 0.005 0.000 0.882 722 N CB -2.063 36.425 38.487 0.002 0.000 1.160 722 N HN 0.658 nan 8.380 nan 0.000 0.587 723 N N -2.157 116.566 118.700 0.037 0.000 2.431 723 N HA 0.419 5.159 4.740 -0.000 0.000 0.289 723 N C 1.367 176.919 175.510 0.071 0.000 1.277 723 N CA -0.545 52.533 53.050 0.046 0.000 0.972 723 N CB 0.283 38.795 38.487 0.041 0.000 1.143 723 N HN 0.129 nan 8.380 nan 0.000 0.578 724 G N -1.713 107.124 108.800 0.062 0.000 2.880 724 G HA2 0.060 4.020 3.960 -0.000 0.000 0.209 724 G HA3 0.060 4.020 3.960 -0.000 0.000 0.209 724 G C 1.386 176.332 174.900 0.077 0.000 1.157 724 G CA 0.336 45.476 45.100 0.068 0.000 0.779 724 G HN 0.710 nan 8.290 nan 0.000 0.539 725 A N 0.575 123.445 122.820 0.083 0.000 2.054 725 A HA -0.069 4.250 4.320 -0.000 0.000 0.223 725 A C 1.020 178.679 177.584 0.126 0.000 1.169 725 A CA 0.510 52.599 52.037 0.085 0.000 0.655 725 A CB -0.478 18.570 19.000 0.080 0.000 0.812 725 A HN 0.436 nan 8.150 nan 0.000 0.462 726 F N 1.293 121.237 119.950 -0.010 0.000 2.421 726 F HA 0.415 4.941 4.527 -0.000 0.000 0.358 726 F C 0.057 175.855 175.800 -0.002 0.000 1.115 726 F CA -1.734 56.254 58.000 -0.021 0.000 1.160 726 F CB 0.302 39.271 39.000 -0.052 0.000 1.123 726 F HN 0.117 nan 8.300 nan 0.000 0.508 727 N N 5.611 123.989 118.700 -0.537 0.000 2.420 727 N HA 0.030 4.770 4.740 -0.000 0.000 0.249 727 N C 0.773 175.744 175.510 -0.898 0.000 1.033 727 N CA 0.124 52.884 53.050 -0.484 0.000 0.944 727 N CB 0.836 39.182 38.487 -0.234 0.000 1.113 727 N HN 0.955 nan 8.380 nan 0.000 0.502 728 E N 2.178 121.921 120.200 -0.762 0.000 2.046 728 E HA -0.113 4.236 4.350 -0.000 0.000 0.190 728 E C 0.721 177.215 176.600 -0.176 0.000 0.982 728 E CA 1.275 57.338 56.400 -0.561 0.000 0.800 728 E CB 0.255 29.883 29.700 -0.120 0.000 0.756 728 E HN 0.623 nan 8.360 nan 0.000 0.449 729 T N 1.948 116.426 114.554 -0.127 0.000 2.720 729 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 729 T C 1.765 176.432 174.700 -0.055 0.000 1.037 729 T CA 1.229 63.295 62.100 -0.057 0.000 1.144 729 T CB -0.316 68.522 68.868 -0.050 0.000 0.864 729 T HN 0.132 nan 8.240 nan 0.000 0.444 730 L N 0.824 121.994 121.223 -0.089 0.000 1.989 730 L HA 0.011 4.351 4.340 -0.000 0.000 0.211 730 L C 2.027 178.891 176.870 -0.010 0.000 1.071 730 L CA 1.675 56.482 54.840 -0.055 0.000 0.749 730 L CB -1.180 40.839 42.059 -0.067 0.000 0.890 730 L HN 0.229 nan 8.230 nan 0.000 0.431 731 F N 0.643 120.501 119.950 -0.153 0.000 2.025 731 F HA -0.277 4.249 4.527 -0.000 0.000 0.297 731 F C 2.667 178.463 175.800 -0.006 0.000 1.132 731 F CA 2.026 60.006 58.000 -0.034 0.000 1.191 731 F CB -0.561 38.487 39.000 0.080 0.000 0.963 731 F HN 0.067 nan 8.300 nan 0.000 0.481 732 R N 0.540 121.065 120.500 0.043 0.000 2.190 732 R HA -0.277 4.063 4.340 -0.000 0.000 0.255 732 R C 1.927 178.123 176.300 -0.174 0.000 1.143 732 R CA 2.054 58.115 56.100 -0.065 0.000 0.965 732 R CB -1.356 28.961 30.300 0.029 0.000 0.889 732 R HN 0.462 nan 8.270 nan 0.000 0.448 733 N N 0.698 119.320 118.700 -0.131 0.000 2.109 733 N HA -0.124 4.616 4.740 -0.000 0.000 0.188 733 N C 1.912 177.312 175.510 -0.183 0.000 1.034 733 N CA 1.024 53.993 53.050 -0.135 0.000 0.846 733 N CB -0.412 38.021 38.487 -0.091 0.000 1.010 733 N HN 0.351 nan 8.380 nan 0.000 0.425 734 Q N 1.018 120.709 119.800 -0.182 0.000 2.103 734 Q HA -0.210 4.130 4.340 -0.000 0.000 0.213 734 Q C 2.232 178.076 176.000 -0.260 0.000 1.008 734 Q CA 1.581 57.272 55.803 -0.186 0.000 0.879 734 Q CB -0.403 28.249 28.738 -0.144 0.000 0.946 734 Q HN 0.363 nan 8.270 nan 0.000 0.413 735 L N -0.041 120.917 121.223 -0.442 0.000 1.976 735 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 735 L C 2.360 179.079 176.870 -0.251 0.000 1.071 735 L CA 1.510 56.116 54.840 -0.390 0.000 0.746 735 L CB -0.550 41.140 42.059 -0.615 0.000 0.890 735 L HN 0.279 nan 8.230 nan 0.000 0.432 736 A N 0.216 122.893 122.820 -0.237 0.000 1.881 736 A HA -0.282 4.037 4.320 -0.000 0.000 0.219 736 A C 2.168 179.672 177.584 -0.134 0.000 1.215 736 A CA 2.451 54.385 52.037 -0.171 0.000 0.648 736 A CB -1.122 17.806 19.000 -0.119 0.000 0.832 736 A HN 0.550 nan 8.150 nan 0.000 0.455 737 L N -1.233 119.889 121.223 -0.169 0.000 2.023 737 L HA -0.121 4.219 4.340 -0.000 0.000 0.205 737 L C 3.092 179.872 176.870 -0.150 0.000 1.073 737 L CA 0.959 55.654 54.840 -0.242 0.000 0.745 737 L CB -0.667 41.180 42.059 -0.354 0.000 0.900 737 L HN 0.437 nan 8.230 nan 0.000 0.435 738 A N -0.381 122.350 122.820 -0.150 0.000 2.093 738 A HA -0.238 4.082 4.320 -0.000 0.000 0.222 738 A C 2.294 179.797 177.584 -0.135 0.000 1.162 738 A CA 2.438 54.384 52.037 -0.151 0.000 0.655 738 A CB -0.881 17.999 19.000 -0.199 0.000 0.805 738 A HN 0.458 nan 8.150 nan 0.000 0.461 739 T N -1.722 112.731 114.554 -0.169 0.000 2.706 739 T HA -0.149 4.201 4.350 -0.000 0.000 0.255 739 T C 1.473 176.033 174.700 -0.233 0.000 1.048 739 T CA 1.292 63.250 62.100 -0.237 0.000 1.153 739 T CB -0.404 68.218 68.868 -0.411 0.000 0.865 739 T HN 0.744 nan 8.240 nan 0.000 0.414 740 W N 1.737 123.014 121.300 -0.038 0.000 2.387 740 W HA -0.126 4.534 4.660 -0.000 0.000 0.272 740 W C 2.612 179.179 176.519 0.080 0.000 1.224 740 W CA 0.731 58.086 57.345 0.015 0.000 1.210 740 W CB -0.882 28.558 29.460 -0.034 0.000 1.125 740 W HN 0.251 nan 8.180 nan 0.000 0.572 741 T N 0.812 115.502 114.554 0.226 0.000 2.701 741 T HA -0.194 4.156 4.350 -0.000 0.000 0.263 741 T C 1.691 176.417 174.700 0.043 0.000 1.040 741 T CA 1.553 63.757 62.100 0.172 0.000 1.147 741 T CB -0.477 68.447 68.868 0.092 0.000 0.865 741 T HN 0.071 nan 8.240 nan 0.000 0.426 742 I N 0.904 121.482 120.570 0.013 0.000 2.226 742 I HA -0.188 3.981 4.170 -0.000 0.000 0.245 742 I C 2.991 179.116 176.117 0.013 0.000 1.100 742 I CA 1.067 62.361 61.300 -0.010 0.000 1.374 742 I CB -0.427 37.581 38.000 0.013 0.000 1.057 742 I HN 0.154 nan 8.210 nan 0.000 0.413 743 Q N 1.170 121.005 119.800 0.058 0.000 2.014 743 Q HA -0.189 4.151 4.340 -0.000 0.000 0.207 743 Q C 2.280 178.372 176.000 0.153 0.000 0.993 743 Q CA 2.317 58.194 55.803 0.124 0.000 0.850 743 Q CB -0.966 27.876 28.738 0.174 0.000 0.916 743 Q HN 0.557 nan 8.270 nan 0.000 0.417 744 G N 0.319 109.221 108.800 0.170 0.000 2.446 744 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 744 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 744 G C 1.554 176.422 174.900 -0.053 0.000 1.168 744 G CA 1.747 46.901 45.100 0.090 0.000 0.771 744 G HN 0.533 nan 8.290 nan 0.000 0.551 745 A N 1.064 123.807 122.820 -0.129 0.000 1.958 745 A HA 0.109 4.428 4.320 -0.000 0.000 0.221 745 A C 2.786 180.352 177.584 -0.030 0.000 1.178 745 A CA 2.578 54.446 52.037 -0.282 0.000 0.642 745 A CB -0.744 17.803 19.000 -0.756 0.000 0.816 745 A HN 0.852 nan 8.150 nan 0.000 0.453 746 A N 0.314 123.231 122.820 0.161 0.000 1.840 746 A HA -0.154 4.166 4.320 -0.000 0.000 0.214 746 A C 1.806 179.379 177.584 -0.018 0.000 1.198 746 A CA 1.510 53.650 52.037 0.173 0.000 0.608 746 A CB -0.669 18.472 19.000 0.235 0.000 0.839 746 A HN 0.538 nan 8.150 nan 0.000 0.443 747 N N 0.699 119.403 118.700 0.007 0.000 2.334 747 N HA -0.125 4.615 4.740 -0.000 0.000 0.187 747 N C 1.553 176.990 175.510 -0.122 0.000 1.016 747 N CA 1.419 54.459 53.050 -0.017 0.000 0.879 747 N CB -0.432 38.089 38.487 0.056 0.000 0.965 747 N HN 0.538 nan 8.380 nan 0.000 0.438 748 A N 0.232 122.915 122.820 -0.229 0.000 1.943 748 A HA 0.086 4.405 4.320 -0.000 0.000 0.213 748 A C 1.771 179.159 177.584 -0.328 0.000 1.181 748 A CA 0.167 51.970 52.037 -0.389 0.000 0.653 748 A CB -0.247 18.195 19.000 -0.930 0.000 0.833 748 A HN 0.184 nan 8.150 nan 0.000 0.451 749 L N -0.439 120.616 121.223 -0.281 0.000 2.693 749 L HA 0.229 4.569 4.340 -0.000 0.000 0.242 749 L C 0.718 177.434 176.870 -0.255 0.000 1.157 749 L CA 0.995 55.678 54.840 -0.260 0.000 0.929 749 L CB -1.005 40.880 42.059 -0.291 0.000 1.103 749 L HN 0.576 nan 8.230 nan 0.000 0.430 750 S N -1.551 114.020 115.700 -0.215 0.000 4.146 750 S HA 0.002 4.471 4.470 -0.000 0.000 0.628 750 S C 0.850 175.368 174.600 -0.137 0.000 1.860 750 S CA 0.345 58.432 58.200 -0.188 0.000 4.099 750 S CB -1.737 61.342 63.200 -0.202 0.000 0.215 750 S HN 1.685 nan 8.310 nan 0.000 0.512 751 G N 1.608 110.339 108.800 -0.114 0.000 2.132 751 G HA2 -0.077 3.882 3.960 -0.000 0.000 0.234 751 G HA3 -0.077 3.882 3.960 -0.000 0.000 0.234 751 G C 0.172 175.045 174.900 -0.045 0.000 0.989 751 G CA 1.042 46.108 45.100 -0.056 0.000 0.676 751 G HN 1.687 nan 8.290 nan 0.000 0.522 752 D N -2.009 118.339 120.400 -0.086 0.000 3.041 752 D HA -0.182 4.458 4.640 -0.000 0.000 0.220 752 D C 0.904 177.132 176.300 -0.120 0.000 1.157 752 D CA 1.451 55.399 54.000 -0.087 0.000 0.876 752 D CB -1.712 39.066 40.800 -0.037 0.000 1.107 752 D HN 1.715 nan 8.370 nan 0.000 0.422 753 V N -2.148 117.668 119.914 -0.163 0.000 3.592 753 V HA -0.310 3.809 4.120 -0.000 0.000 0.513 753 V C 0.851 176.905 176.094 -0.066 0.000 0.682 753 V CA 0.721 62.843 62.300 -0.298 0.000 2.067 753 V CB -0.632 30.843 31.823 -0.581 0.000 2.488 753 V HN 0.575 nan 8.190 nan 0.000 0.511 754 W N 0.073 121.370 121.300 -0.005 0.000 6.351 754 W HA -0.183 4.477 4.660 -0.000 0.000 0.403 754 W C 0.503 177.032 176.519 0.016 0.000 1.540 754 W CA 0.297 57.647 57.345 0.009 0.000 1.055 754 W CB -1.094 28.371 29.460 0.008 0.000 2.721 754 W HN 0.905 nan 8.180 nan 0.000 1.542 755 D N 1.046 121.587 120.400 0.236 0.000 2.793 755 D HA 0.013 4.652 4.640 -0.000 0.000 0.230 755 D C 0.599 176.991 176.300 0.153 0.000 1.139 755 D CA 0.853 54.943 54.000 0.150 0.000 0.838 755 D CB 0.355 41.226 40.800 0.119 0.000 1.149 755 D HN 0.039 nan 8.370 nan 0.000 0.526 756 I N 2.250 122.893 120.570 0.123 0.000 3.585 756 I HA 0.086 4.255 4.170 -0.000 0.000 0.325 756 I C 0.107 176.276 176.117 0.088 0.000 1.370 756 I CA -0.229 61.132 61.300 0.102 0.000 1.298 756 I CB -0.546 37.507 38.000 0.088 0.000 1.387 756 I HN 0.191 nan 8.210 nan 0.000 0.466 757 D N -0.771 119.687 120.400 0.097 0.000 3.110 757 D HA 0.028 4.668 4.640 -0.000 0.000 0.254 757 D C 1.030 177.406 176.300 0.128 0.000 1.283 757 D CA -0.404 53.652 54.000 0.094 0.000 0.944 757 D CB -0.670 40.172 40.800 0.070 0.000 1.066 757 D HN 0.498 nan 8.370 nan 0.000 0.496 758 N N -0.161 118.606 118.700 0.111 0.000 2.381 758 N HA -0.256 4.484 4.740 -0.000 0.000 0.182 758 N C 1.343 176.925 175.510 0.120 0.000 1.025 758 N CA 0.295 53.411 53.050 0.110 0.000 0.888 758 N CB 0.147 38.677 38.487 0.071 0.000 0.965 758 N HN 0.180 nan 8.380 nan 0.000 0.438 759 E N 1.211 121.483 120.200 0.120 0.000 2.223 759 E HA -0.093 4.257 4.350 -0.000 0.000 0.267 759 E C 0.309 177.010 176.600 0.168 0.000 0.857 759 E CA 0.062 56.530 56.400 0.112 0.000 1.467 759 E CB -0.670 29.088 29.700 0.097 0.000 0.965 759 E HN 0.205 nan 8.360 nan 0.000 0.591 760 F N 0.000 119.951 119.950 0.002 0.000 2.286 760 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 760 F CA 0.000 57.984 58.000 -0.026 0.000 1.383 760 F CB 0.000 38.985 39.000 -0.024 0.000 1.145 760 F HN 0.000 nan 8.300 nan 0.000 0.574