REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1de4_1_I DATA FIRST_RESID 122 DATA SEQUENCE LYWDDLKRKL SEKLDSTDFT STIKLLNENS YVPREAGSQK DENLALYVEN DATA SEQUENCE QFREFKLSKV WRDQHFVKIQ VKDSAQNSVI IVDKNGRLVY LVENPGGYVA DATA SEQUENCE YSKAATVTGK LVHANFGTKK DFEDLYTPVN GSIVIVRAGK ITFAEKVANA DATA SEQUENCE ESLNAIGVLI YMDQTKFPIV NAELSFFGHA HLGTGDPYTP GFPSFNHTQF DATA SEQUENCE PPSRSSGLPN IPVQTISRAA AEKLFGNMEG DcPSDWKTDS TcRMVTSESK DATA SEQUENCE NVKLTVSNVL KEIKILNIFG VIKGFVEPDH YVVVGAQRDA WGPGAAKSGV DATA SEQUENCE GTALLLKLAQ MFSDMVLKDG FQPSRSIIFA SWSAGDFGSV GATEWLEGYL DATA SEQUENCE SSLHLKAFTY INLDKAVLGT SNFKVSASPL LYTLIEKTMQ NVKHPVTGQF DATA SEQUENCE LYQDSNWASK VEKLTLDNAA FPFLAYSGIP AVSFCFCEDT DYPYLGTTMD DATA SEQUENCE TYKELIERIP ELNKVARAAA EVAGQFVIKL THDVELNLDY ERYNSQLLSF DATA SEQUENCE VRDLNQYRAD IKEMGLSLQW LYSARGDFFR ATSRLTTDFG NAEKTDRFVM DATA SEQUENCE KKLNDRVMRV EYHFLSPYVS PKESPFRHVF WGSGSHTLPA LLENLKLRKQ DATA SEQUENCE NNGAFNETLF RNQLALATWT IQGAANALSG DVWDI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 122 L HA 0.000 nan 4.340 nan 0.000 0.249 122 L C 0.000 177.029 176.870 0.264 0.000 1.165 122 L CA 0.000 54.912 54.840 0.120 0.000 0.813 122 L CB 0.000 42.098 42.059 0.064 0.000 0.961 123 Y N -1.480 118.908 120.300 0.146 0.000 2.549 123 Y HA -0.314 4.236 4.550 0.000 0.000 0.021 123 Y C 1.101 177.026 175.900 0.042 0.000 1.755 123 Y CA 0.083 58.305 58.100 0.204 0.000 1.391 123 Y CB -0.815 37.733 38.460 0.147 0.000 2.040 123 Y HN 0.313 nan 8.280 nan 0.000 0.259 124 W N 4.071 125.414 121.300 0.072 0.000 2.278 124 W HA -0.354 4.306 4.660 0.000 0.000 0.339 124 W C 1.449 177.936 176.519 -0.054 0.000 1.348 124 W CA 2.641 59.938 57.345 -0.079 0.000 1.289 124 W CB -0.207 29.295 29.460 0.071 0.000 1.124 124 W HN 0.840 nan 8.180 nan 0.000 0.469 125 D N 0.170 120.423 120.400 -0.244 0.000 2.158 125 D HA -0.202 4.438 4.640 0.000 0.000 0.197 125 D C 1.600 177.692 176.300 -0.347 0.000 0.995 125 D CA 1.908 55.683 54.000 -0.375 0.000 0.846 125 D CB -0.589 40.154 40.800 -0.094 0.000 0.941 125 D HN 0.316 nan 8.370 nan 0.000 0.456 126 D N 0.285 120.559 120.400 -0.210 0.000 2.103 126 D HA -0.088 4.552 4.640 0.000 0.000 0.199 126 D C 2.315 178.444 176.300 -0.285 0.000 0.978 126 D CA 0.199 54.083 54.000 -0.192 0.000 0.829 126 D CB 0.002 40.740 40.800 -0.102 0.000 0.981 126 D HN 0.130 nan 8.370 nan 0.000 0.464 127 L N 1.510 122.523 121.223 -0.351 0.000 2.017 127 L HA -0.149 4.191 4.340 0.000 0.000 0.208 127 L C 2.386 178.915 176.870 -0.567 0.000 1.073 127 L CA 1.360 55.936 54.840 -0.439 0.000 0.745 127 L CB -1.230 40.556 42.059 -0.455 0.000 0.894 127 L HN 0.081 nan 8.230 nan 0.000 0.432 128 K N 0.150 120.025 120.400 -0.876 0.000 2.044 128 K HA -0.223 4.097 4.320 0.000 0.000 0.210 128 K C 2.250 178.556 176.600 -0.489 0.000 1.049 128 K CA 1.654 57.398 56.287 -0.904 0.000 0.927 128 K CB 0.033 31.790 32.500 -1.239 0.000 0.713 128 K HN 0.246 nan 8.250 nan 0.000 0.443 129 R N 0.200 120.460 120.500 -0.400 0.000 2.066 129 R HA -0.047 4.293 4.340 0.000 0.000 0.232 129 R C 2.460 178.620 176.300 -0.232 0.000 1.131 129 R CA 1.036 56.979 56.100 -0.262 0.000 0.955 129 R CB -0.171 30.004 30.300 -0.208 0.000 0.851 129 R HN 0.083 nan 8.270 nan 0.000 0.432 130 K N 1.103 121.354 120.400 -0.248 0.000 2.020 130 K HA -0.188 4.132 4.320 0.000 0.000 0.212 130 K C 2.148 178.600 176.600 -0.246 0.000 1.050 130 K CA 1.154 57.308 56.287 -0.222 0.000 0.929 130 K CB -0.664 31.700 32.500 -0.226 0.000 0.714 130 K HN 0.102 nan 8.250 nan 0.000 0.443 131 L N 1.164 122.202 121.223 -0.310 0.000 2.012 131 L HA -0.193 4.147 4.340 0.000 0.000 0.210 131 L C 2.487 179.226 176.870 -0.218 0.000 1.073 131 L CA 2.019 56.672 54.840 -0.313 0.000 0.748 131 L CB -0.956 40.904 42.059 -0.331 0.000 0.891 131 L HN 0.126 nan 8.230 nan 0.000 0.431 132 S N -0.462 115.119 115.700 -0.199 0.000 2.359 132 S HA -0.296 4.174 4.470 0.000 0.000 0.222 132 S C 1.921 176.452 174.600 -0.114 0.000 1.038 132 S CA 1.702 59.818 58.200 -0.141 0.000 1.051 132 S CB -0.548 62.568 63.200 -0.139 0.000 0.944 132 S HN 0.789 nan 8.310 nan 0.000 0.433 133 E N 0.569 120.695 120.200 -0.123 0.000 2.058 133 E HA -0.216 4.134 4.350 0.000 0.000 0.194 133 E C 2.058 178.596 176.600 -0.104 0.000 0.997 133 E CA 1.113 57.451 56.400 -0.102 0.000 0.801 133 E CB -0.387 29.252 29.700 -0.102 0.000 0.746 133 E HN 0.287 nan 8.360 nan 0.000 0.450 134 K N 0.903 121.224 120.400 -0.132 0.000 2.059 134 K HA -0.162 4.158 4.320 0.000 0.000 0.212 134 K C 2.345 178.876 176.600 -0.116 0.000 1.050 134 K CA 1.391 57.593 56.287 -0.142 0.000 0.927 134 K CB -0.549 31.834 32.500 -0.194 0.000 0.714 134 K HN 0.302 nan 8.250 nan 0.000 0.447 135 L N 0.715 121.889 121.223 -0.082 0.000 2.017 135 L HA -0.230 4.110 4.340 0.000 0.000 0.208 135 L C 1.906 178.783 176.870 0.012 0.000 1.073 135 L CA 1.580 56.424 54.840 0.007 0.000 0.745 135 L CB -0.622 41.461 42.059 0.040 0.000 0.894 135 L HN 0.163 nan 8.230 nan 0.000 0.432 136 D N -0.383 120.005 120.400 -0.019 0.000 2.228 136 D HA -0.182 4.458 4.640 0.000 0.000 0.203 136 D C 1.926 178.206 176.300 -0.034 0.000 0.988 136 D CA 1.563 55.553 54.000 -0.017 0.000 0.864 136 D CB -0.051 40.728 40.800 -0.035 0.000 0.928 136 D HN 0.347 nan 8.370 nan 0.000 0.469 137 S N -1.197 114.464 115.700 -0.065 0.000 2.582 137 S HA 0.136 4.606 4.470 0.000 0.000 0.234 137 S C 0.395 174.917 174.600 -0.129 0.000 0.961 137 S CA -0.547 57.604 58.200 -0.083 0.000 0.953 137 S CB 0.305 63.455 63.200 -0.083 0.000 0.800 137 S HN -0.121 nan 8.310 nan 0.000 0.471 138 T N 2.730 117.180 114.554 -0.174 0.000 2.795 138 T HA 0.321 4.671 4.350 0.000 0.000 0.282 138 T C -1.049 173.398 174.700 -0.423 0.000 0.980 138 T CA -0.471 61.411 62.100 -0.363 0.000 1.012 138 T CB 1.307 69.835 68.868 -0.568 0.000 0.936 138 T HN 0.186 nan 8.240 nan 0.000 0.457 139 D N 2.577 122.749 120.400 -0.380 0.000 2.443 139 D HA 0.232 4.872 4.640 0.000 0.000 0.221 139 D C 0.154 176.290 176.300 -0.274 0.000 1.097 139 D CA -0.437 53.428 54.000 -0.225 0.000 0.865 139 D CB 0.396 41.133 40.800 -0.105 0.000 1.034 139 D HN 0.395 nan 8.370 nan 0.000 0.511 140 F N 0.999 120.967 119.950 0.028 0.000 2.187 140 F HA -0.089 4.438 4.527 0.000 0.000 0.295 140 F C 2.597 178.434 175.800 0.062 0.000 1.091 140 F CA 0.491 58.519 58.000 0.047 0.000 1.308 140 F CB -0.363 38.666 39.000 0.049 0.000 1.030 140 F HN 0.265 nan 8.300 nan 0.000 0.487 141 T N -0.376 114.328 114.554 0.251 0.000 2.653 141 T HA -0.245 4.105 4.350 0.000 0.000 0.268 141 T C 2.208 176.955 174.700 0.078 0.000 1.035 141 T CA 1.996 64.223 62.100 0.211 0.000 1.154 141 T CB -0.539 68.445 68.868 0.193 0.000 0.862 141 T HN 0.197 nan 8.240 nan 0.000 0.441 142 S N 0.980 116.697 115.700 0.029 0.000 2.359 142 S HA -0.138 4.332 4.470 0.000 0.000 0.224 142 S C 2.409 176.989 174.600 -0.032 0.000 1.035 142 S CA 1.726 59.909 58.200 -0.028 0.000 1.018 142 S CB -0.736 62.451 63.200 -0.022 0.000 0.876 142 S HN 0.624 nan 8.310 nan 0.000 0.448 143 T N 2.706 117.271 114.554 0.019 0.000 2.737 143 T HA 0.056 4.406 4.350 0.000 0.000 0.265 143 T C 1.800 176.515 174.700 0.025 0.000 1.038 143 T CA 1.091 63.217 62.100 0.042 0.000 1.144 143 T CB -0.464 68.463 68.868 0.098 0.000 0.866 143 T HN 0.308 nan 8.240 nan 0.000 0.434 144 I N 1.031 121.646 120.570 0.074 0.000 2.163 144 I HA -0.203 3.967 4.170 0.000 0.000 0.243 144 I C 2.685 178.783 176.117 -0.031 0.000 1.085 144 I CA 1.410 62.769 61.300 0.098 0.000 1.347 144 I CB -0.361 37.788 38.000 0.248 0.000 1.044 144 I HN 0.194 nan 8.210 nan 0.000 0.408 145 K N 1.080 121.314 120.400 -0.276 0.000 2.097 145 K HA -0.174 4.146 4.320 0.000 0.000 0.205 145 K C 2.229 178.682 176.600 -0.245 0.000 1.050 145 K CA 0.998 56.934 56.287 -0.584 0.000 0.938 145 K CB -0.047 31.953 32.500 -0.833 0.000 0.718 145 K HN 0.238 nan 8.250 nan 0.000 0.442 146 L N 1.339 122.473 121.223 -0.149 0.000 2.191 146 L HA -0.109 4.231 4.340 0.000 0.000 0.212 146 L C 1.461 178.297 176.870 -0.057 0.000 1.103 146 L CA 1.548 56.334 54.840 -0.090 0.000 0.769 146 L CB -0.365 41.646 42.059 -0.080 0.000 0.908 146 L HN 0.295 nan 8.230 nan 0.000 0.438 147 L N -0.356 120.816 121.223 -0.084 0.000 2.599 147 L HA -0.010 4.330 4.340 0.000 0.000 0.230 147 L C 1.180 178.073 176.870 0.039 0.000 1.141 147 L CA 0.248 55.030 54.840 -0.096 0.000 0.877 147 L CB -0.323 41.669 42.059 -0.112 0.000 1.009 147 L HN 0.369 nan 8.230 nan 0.000 0.447 148 N N -0.611 118.115 118.700 0.043 0.000 2.200 148 N HA 0.095 4.835 4.740 0.000 0.000 0.224 148 N C -0.251 175.286 175.510 0.044 0.000 1.179 148 N CA -0.183 52.906 53.050 0.065 0.000 0.877 148 N CB 0.927 39.463 38.487 0.080 0.000 1.072 148 N HN 0.375 nan 8.380 nan 0.000 0.519 149 E N 0.780 121.008 120.200 0.046 0.000 2.373 149 E HA 0.131 4.481 4.350 0.000 0.000 0.263 149 E C 0.382 176.944 176.600 -0.063 0.000 1.073 149 E CA -0.449 55.937 56.400 -0.024 0.000 0.894 149 E CB 0.678 30.344 29.700 -0.057 0.000 1.008 149 E HN 0.119 nan 8.360 nan 0.000 0.420 150 N N 1.050 119.698 118.700 -0.086 0.000 2.396 150 N HA -0.192 4.548 4.740 0.000 0.000 0.191 150 N C 1.571 176.969 175.510 -0.186 0.000 1.015 150 N CA 0.860 53.848 53.050 -0.104 0.000 0.893 150 N CB -0.170 38.263 38.487 -0.090 0.000 0.956 150 N HN 0.290 nan 8.380 nan 0.000 0.445 151 S N -0.404 115.097 115.700 -0.332 0.000 2.399 151 S HA -0.098 4.372 4.470 0.000 0.000 0.231 151 S C 0.528 174.689 174.600 -0.733 0.000 1.022 151 S CA 0.976 58.791 58.200 -0.642 0.000 0.983 151 S CB -0.004 62.587 63.200 -1.015 0.000 0.803 151 S HN 0.479 nan 8.310 nan 0.000 0.480 152 Y N -0.152 120.102 120.300 -0.077 0.000 2.768 152 Y HA 0.313 4.863 4.550 0.000 0.000 0.249 152 Y C 1.310 177.180 175.900 -0.050 0.000 1.146 152 Y CA -0.520 57.541 58.100 -0.065 0.000 1.171 152 Y CB -0.657 37.753 38.460 -0.082 0.000 1.249 152 Y HN 0.011 nan 8.280 nan 0.000 0.567 153 V N -0.596 119.342 119.914 0.039 0.000 2.271 153 V HA -0.173 3.947 4.120 0.000 0.000 0.237 153 V C -1.446 174.650 176.094 0.004 0.000 1.007 153 V CA 0.562 62.872 62.300 0.016 0.000 1.007 153 V CB -1.827 29.980 31.823 -0.027 0.000 0.656 153 V HN 0.123 nan 8.190 nan 0.000 0.482 154 P HA 0.316 nan 4.420 nan 0.000 0.292 154 P C -0.851 176.435 177.300 -0.023 0.000 1.326 154 P CA -0.362 62.696 63.100 -0.070 0.000 0.787 154 P CB 0.676 32.287 31.700 -0.148 0.000 0.903 155 R N 2.113 122.619 120.500 0.011 0.000 2.860 155 R HA 0.343 4.683 4.340 0.000 0.000 0.282 155 R C -0.019 176.319 176.300 0.064 0.000 1.408 155 R CA -0.653 55.476 56.100 0.048 0.000 1.636 155 R CB 0.501 30.847 30.300 0.077 0.000 1.187 155 R HN 0.364 nan 8.270 nan 0.000 0.611 156 E N 2.258 122.491 120.200 0.055 0.000 2.384 156 E HA 0.166 4.516 4.350 0.000 0.000 0.266 156 E C -0.255 176.429 176.600 0.140 0.000 1.012 156 E CA -0.280 56.190 56.400 0.117 0.000 0.901 156 E CB 0.831 30.602 29.700 0.119 0.000 0.967 156 E HN 0.604 nan 8.360 nan 0.000 0.435 157 A N 3.260 126.207 122.820 0.211 0.000 2.584 157 A HA 0.292 4.612 4.320 0.000 0.000 0.239 157 A C 1.260 178.883 177.584 0.065 0.000 1.043 157 A CA 0.865 52.987 52.037 0.142 0.000 0.756 157 A CB -0.615 18.480 19.000 0.158 0.000 0.963 157 A HN 1.126 nan 8.150 nan 0.000 0.511 158 G N 1.469 110.299 108.800 0.050 0.000 2.217 158 G HA2 -0.193 3.767 3.960 0.000 0.000 0.246 158 G HA3 -0.193 3.767 3.960 0.000 0.000 0.246 158 G C 0.710 175.638 174.900 0.046 0.000 0.990 158 G CA 0.948 46.069 45.100 0.036 0.000 0.627 158 G HN 2.234 nan 8.290 nan 0.000 0.522 159 S N -0.209 115.523 115.700 0.053 0.000 2.624 159 S HA 0.564 5.034 4.470 0.000 0.000 0.263 159 S C 1.266 175.893 174.600 0.044 0.000 1.287 159 S CA 0.500 58.727 58.200 0.046 0.000 0.990 159 S CB 1.667 64.893 63.200 0.044 0.000 0.950 159 S HN 0.167 nan 8.310 nan 0.000 0.561 160 Q N 1.085 120.906 119.800 0.035 0.000 2.050 160 Q HA -0.098 4.242 4.340 0.000 0.000 0.202 160 Q C 2.021 178.047 176.000 0.044 0.000 0.980 160 Q CA 1.805 57.627 55.803 0.033 0.000 0.840 160 Q CB -0.518 28.231 28.738 0.017 0.000 0.898 160 Q HN 0.791 nan 8.270 nan 0.000 0.424 161 K N 0.549 120.973 120.400 0.040 0.000 2.152 161 K HA -0.191 4.129 4.320 0.000 0.000 0.206 161 K C 1.729 178.403 176.600 0.124 0.000 1.048 161 K CA 1.329 57.660 56.287 0.073 0.000 0.933 161 K CB -0.098 32.433 32.500 0.051 0.000 0.721 161 K HN 0.172 nan 8.250 nan 0.000 0.447 162 D N 1.206 121.657 120.400 0.084 0.000 2.078 162 D HA -0.198 4.442 4.640 0.000 0.000 0.193 162 D C 1.778 178.117 176.300 0.064 0.000 0.990 162 D CA 1.394 55.438 54.000 0.074 0.000 0.827 162 D CB -0.018 40.821 40.800 0.065 0.000 0.975 162 D HN 0.172 nan 8.370 nan 0.000 0.451 163 E N -0.637 119.597 120.200 0.057 0.000 2.130 163 E HA -0.215 4.135 4.350 0.000 0.000 0.196 163 E C 1.826 178.466 176.600 0.065 0.000 0.998 163 E CA 1.017 57.445 56.400 0.047 0.000 0.806 163 E CB 0.045 29.771 29.700 0.043 0.000 0.738 163 E HN 0.248 nan 8.360 nan 0.000 0.459 164 N N 0.518 119.281 118.700 0.105 0.000 2.084 164 N HA -0.165 4.575 4.740 0.000 0.000 0.190 164 N C 1.789 177.442 175.510 0.238 0.000 1.030 164 N CA 0.702 53.851 53.050 0.165 0.000 0.849 164 N CB -0.459 38.126 38.487 0.164 0.000 1.012 164 N HN 0.164 nan 8.380 nan 0.000 0.423 165 L N 1.249 122.600 121.223 0.212 0.000 2.131 165 L HA 0.009 4.349 4.340 0.000 0.000 0.210 165 L C 2.015 178.857 176.870 -0.048 0.000 1.092 165 L CA 1.208 56.010 54.840 -0.065 0.000 0.759 165 L CB -0.946 40.983 42.059 -0.217 0.000 0.903 165 L HN 0.122 nan 8.230 nan 0.000 0.435 166 A N -0.976 121.827 122.820 -0.028 0.000 1.873 166 A HA -0.147 4.173 4.320 0.000 0.000 0.215 166 A C 2.107 179.629 177.584 -0.103 0.000 1.186 166 A CA 1.754 53.737 52.037 -0.089 0.000 0.616 166 A CB -0.726 18.239 19.000 -0.058 0.000 0.823 166 A HN 0.390 nan 8.150 nan 0.000 0.442 167 L N -1.833 119.375 121.223 -0.024 0.000 2.093 167 L HA -0.112 4.228 4.340 0.000 0.000 0.208 167 L C 2.361 179.206 176.870 -0.041 0.000 1.085 167 L CA 1.744 56.568 54.840 -0.027 0.000 0.755 167 L CB -1.131 40.944 42.059 0.026 0.000 0.904 167 L HN 0.605 nan 8.230 nan 0.000 0.435 168 Y N -0.449 119.786 120.300 -0.109 0.000 2.145 168 Y HA -0.250 4.300 4.550 0.000 0.000 0.286 168 Y C 2.381 178.119 175.900 -0.269 0.000 1.145 168 Y CA 1.818 59.837 58.100 -0.135 0.000 1.148 168 Y CB -0.341 38.046 38.460 -0.122 0.000 0.981 168 Y HN -0.053 nan 8.280 nan 0.000 0.507 169 V N 0.767 120.479 119.914 -0.337 0.000 2.358 169 V HA -0.286 3.834 4.120 0.000 0.000 0.246 169 V C 2.351 177.913 176.094 -0.887 0.000 1.047 169 V CA 2.222 64.121 62.300 -0.669 0.000 1.035 169 V CB -0.759 30.708 31.823 -0.593 0.000 0.658 169 V HN 0.503 nan 8.190 nan 0.000 0.452 170 E N 0.174 120.029 120.200 -0.575 0.000 2.160 170 E HA -0.268 4.082 4.350 0.000 0.000 0.195 170 E C 2.138 178.549 176.600 -0.316 0.000 0.991 170 E CA 1.369 57.522 56.400 -0.412 0.000 0.810 170 E CB -0.133 29.445 29.700 -0.205 0.000 0.742 170 E HN 0.609 nan 8.360 nan 0.000 0.466 171 N N -0.335 118.151 118.700 -0.357 0.000 2.250 171 N HA -0.113 4.627 4.740 0.000 0.000 0.181 171 N C 1.745 176.993 175.510 -0.437 0.000 1.017 171 N CA 0.652 53.521 53.050 -0.303 0.000 0.866 171 N CB 0.141 38.480 38.487 -0.247 0.000 0.985 171 N HN 0.211 nan 8.380 nan 0.000 0.429 172 Q N 0.136 119.515 119.800 -0.701 0.000 2.170 172 Q HA -0.080 4.260 4.340 0.000 0.000 0.203 172 Q C 1.977 177.255 176.000 -1.203 0.000 0.976 172 Q CA 0.913 56.117 55.803 -0.999 0.000 0.858 172 Q CB -0.493 27.604 28.738 -1.068 0.000 0.907 172 Q HN 0.535 nan 8.270 nan 0.000 0.433 173 F N 0.651 120.098 119.950 -0.839 0.000 2.134 173 F HA -0.179 4.348 4.527 0.000 0.000 0.299 173 F C 2.560 178.165 175.800 -0.325 0.000 1.097 173 F CA 0.521 58.193 58.000 -0.546 0.000 1.264 173 F CB 0.001 38.834 39.000 -0.277 0.000 1.001 173 F HN 0.129 nan 8.300 nan 0.000 0.479 174 R N 0.422 120.884 120.500 -0.062 0.000 2.081 174 R HA -0.168 4.172 4.340 0.000 0.000 0.235 174 R C 1.951 178.230 176.300 -0.035 0.000 1.131 174 R CA 1.464 57.549 56.100 -0.026 0.000 0.960 174 R CB -0.453 29.827 30.300 -0.034 0.000 0.856 174 R HN 0.358 nan 8.270 nan 0.000 0.436 175 E N 0.195 120.322 120.200 -0.121 0.000 2.085 175 E HA -0.166 4.184 4.350 0.000 0.000 0.194 175 E C 1.662 178.368 176.600 0.177 0.000 0.994 175 E CA 1.143 57.534 56.400 -0.015 0.000 0.801 175 E CB -0.114 29.550 29.700 -0.061 0.000 0.743 175 E HN 0.396 nan 8.360 nan 0.000 0.453 176 F N 0.715 120.663 119.950 -0.003 0.000 2.546 176 F HA -0.034 4.493 4.527 0.000 0.000 0.298 176 F C 0.332 176.125 175.800 -0.011 0.000 1.120 176 F CA 0.012 58.001 58.000 -0.018 0.000 1.456 176 F CB -0.123 38.849 39.000 -0.047 0.000 1.088 176 F HN -0.186 nan 8.300 nan 0.000 0.572 177 K N 1.788 122.286 120.400 0.164 0.000 4.868 177 K HA -0.180 4.140 4.320 0.000 0.000 0.314 177 K C -0.813 175.843 176.600 0.093 0.000 0.932 177 K CA -0.019 56.328 56.287 0.100 0.000 0.998 177 K CB -1.534 31.017 32.500 0.085 0.000 1.704 177 K HN 0.316 nan 8.250 nan 0.000 0.426 178 L N 0.488 121.757 121.223 0.076 0.000 2.360 178 L HA 0.210 4.550 4.340 0.000 0.000 0.271 178 L C 1.846 178.749 176.870 0.055 0.000 1.057 178 L CA -0.681 54.193 54.840 0.056 0.000 0.803 178 L CB 1.595 43.652 42.059 -0.002 0.000 1.207 178 L HN 0.309 nan 8.230 nan 0.000 0.445 179 S N 0.281 116.007 115.700 0.043 0.000 2.399 179 S HA -0.230 4.240 4.470 0.000 0.000 0.235 179 S C 0.495 175.111 174.600 0.027 0.000 1.063 179 S CA 1.716 59.923 58.200 0.012 0.000 1.070 179 S CB -0.205 62.983 63.200 -0.021 0.000 0.904 179 S HN 0.608 nan 8.310 nan 0.000 0.456 180 K N -0.775 119.673 120.400 0.080 0.000 2.598 180 K HA 0.487 4.807 4.320 0.000 0.000 0.271 180 K C -2.162 174.620 176.600 0.303 0.000 0.947 180 K CA -0.485 55.878 56.287 0.127 0.000 0.854 180 K CB 2.067 34.580 32.500 0.022 0.000 1.401 180 K HN -0.069 nan 8.250 nan 0.000 0.415 181 V N 5.074 125.192 119.914 0.342 0.000 2.569 181 V HA 0.870 4.990 4.120 0.000 0.000 0.301 181 V C -1.899 174.498 176.094 0.505 0.000 1.044 181 V CA -0.149 62.408 62.300 0.428 0.000 0.874 181 V CB 0.735 32.722 31.823 0.275 0.000 1.002 181 V HN 0.843 nan 8.190 nan 0.000 0.424 182 W N 6.348 127.745 121.300 0.161 0.000 3.060 182 W HA 0.892 5.552 4.660 0.000 0.000 0.346 182 W C -1.100 175.577 176.519 0.263 0.000 1.194 182 W CA -1.095 56.340 57.345 0.149 0.000 1.105 182 W CB 1.180 30.685 29.460 0.076 0.000 1.487 182 W HN 0.778 nan 8.180 nan 0.000 0.592 183 R N 1.312 121.968 120.500 0.259 0.000 2.740 183 R HA 0.516 4.856 4.340 0.000 0.000 0.273 183 R C -1.728 174.770 176.300 0.330 0.000 0.998 183 R CA -0.744 55.465 56.100 0.182 0.000 0.900 183 R CB 2.312 32.669 30.300 0.095 0.000 1.223 183 R HN 0.483 nan 8.270 nan 0.000 0.466 184 D N 1.132 121.775 120.400 0.406 0.000 2.252 184 D HA 0.186 4.826 4.640 0.000 0.000 0.245 184 D C -1.167 175.275 176.300 0.237 0.000 1.009 184 D CA -0.322 53.944 54.000 0.443 0.000 0.870 184 D CB 2.342 43.597 40.800 0.758 0.000 1.251 184 D HN 0.488 nan 8.370 nan 0.000 0.460 185 Q N 2.432 122.314 119.800 0.136 0.000 2.310 185 Q HA 0.277 4.617 4.340 0.000 0.000 0.270 185 Q C -1.379 174.589 176.000 -0.054 0.000 1.025 185 Q CA -0.635 55.182 55.803 0.024 0.000 0.772 185 Q CB 1.225 29.974 28.738 0.018 0.000 1.253 185 Q HN 0.491 nan 8.270 nan 0.000 0.450 186 H N 3.326 122.419 119.070 0.038 0.000 2.622 186 H HA 0.374 4.930 4.556 0.000 0.000 0.363 186 H C -1.229 173.981 175.328 -0.197 0.000 1.151 186 H CA -0.557 55.505 56.048 0.024 0.000 1.184 186 H CB 1.268 31.044 29.762 0.023 0.000 1.643 186 H HN 0.602 nan 8.280 nan 0.000 0.531 187 F N 2.228 122.428 119.950 0.417 0.000 2.325 187 F HA 0.257 4.784 4.527 0.000 0.000 0.369 187 F C 0.379 176.304 175.800 0.208 0.000 1.095 187 F CA -0.772 57.379 58.000 0.253 0.000 1.082 187 F CB 1.114 40.248 39.000 0.223 0.000 1.289 187 F HN 0.204 nan 8.300 nan 0.000 0.462 188 V N 0.130 120.179 119.914 0.225 0.000 3.019 188 V HA 0.615 4.735 4.120 0.000 0.000 0.317 188 V C -0.737 175.397 176.094 0.066 0.000 1.094 188 V CA -1.271 61.110 62.300 0.136 0.000 1.000 188 V CB 2.112 33.966 31.823 0.052 0.000 1.060 188 V HN 0.524 nan 8.190 nan 0.000 0.443 189 K N 3.291 123.745 120.400 0.089 0.000 2.281 189 K HA 0.616 4.936 4.320 0.000 0.000 0.272 189 K C -0.356 176.343 176.600 0.165 0.000 1.048 189 K CA -0.316 56.007 56.287 0.060 0.000 0.898 189 K CB 1.413 33.891 32.500 -0.036 0.000 1.128 189 K HN 0.819 nan 8.250 nan 0.000 0.460 190 I N -1.358 119.205 120.570 -0.012 0.000 3.619 190 I HA 0.428 4.598 4.170 0.000 0.000 0.284 190 I C -0.550 175.524 176.117 -0.071 0.000 1.240 190 I CA -1.056 60.158 61.300 -0.143 0.000 1.016 190 I CB 1.354 38.922 38.000 -0.720 0.000 1.374 190 I HN 0.446 nan 8.210 nan 0.000 0.553 191 Q N 1.323 121.084 119.800 -0.064 0.000 2.323 191 Q HA 0.654 4.994 4.340 0.000 0.000 0.271 191 Q C -1.947 174.185 176.000 0.220 0.000 1.048 191 Q CA -0.665 55.160 55.803 0.036 0.000 0.792 191 Q CB 2.764 31.477 28.738 -0.042 0.000 1.280 191 Q HN 0.681 nan 8.270 nan 0.000 0.441 192 V N 2.339 122.264 119.914 0.019 0.000 3.126 192 V HA 0.483 4.603 4.120 0.000 0.000 0.314 192 V C -0.745 175.096 176.094 -0.421 0.000 1.138 192 V CA -1.030 61.179 62.300 -0.152 0.000 1.034 192 V CB 2.072 33.895 31.823 0.000 0.000 1.075 192 V HN 0.820 nan 8.190 nan 0.000 0.442 193 K N 0.559 120.603 120.400 -0.594 0.000 2.249 193 K HA 0.436 4.756 4.320 0.000 0.000 0.280 193 K C -0.553 175.948 176.600 -0.165 0.000 1.033 193 K CA -0.458 55.593 56.287 -0.393 0.000 0.946 193 K CB 1.215 33.510 32.500 -0.343 0.000 1.005 193 K HN 0.657 nan 8.250 nan 0.000 0.469 194 D N 1.256 121.588 120.400 -0.112 0.000 2.369 194 D HA -0.079 4.561 4.640 0.000 0.000 0.241 194 D C 1.076 177.355 176.300 -0.036 0.000 1.271 194 D CA 0.141 54.106 54.000 -0.059 0.000 0.942 194 D CB 0.981 41.755 40.800 -0.044 0.000 1.129 194 D HN 0.599 nan 8.370 nan 0.000 0.476 195 S N 0.153 115.840 115.700 -0.022 0.000 2.442 195 S HA -0.011 4.459 4.470 0.000 0.000 0.236 195 S C 0.905 175.502 174.600 -0.005 0.000 1.007 195 S CA 0.315 58.509 58.200 -0.010 0.000 0.965 195 S CB -0.387 62.808 63.200 -0.007 0.000 0.773 195 S HN 0.591 nan 8.310 nan 0.000 0.504 196 A N 1.843 124.658 122.820 -0.008 0.000 2.328 196 A HA 0.455 4.775 4.320 0.000 0.000 0.284 196 A C 0.212 177.796 177.584 -0.001 0.000 1.160 196 A CA -0.723 51.312 52.037 -0.003 0.000 0.818 196 A CB 0.241 19.239 19.000 -0.004 0.000 1.087 196 A HN 0.553 nan 8.150 nan 0.000 0.504 197 Q N 1.534 121.339 119.800 0.008 0.000 2.392 197 Q HA 0.085 4.425 4.340 0.000 0.000 0.262 197 Q C -0.243 175.765 176.000 0.013 0.000 1.003 197 Q CA 0.252 56.064 55.803 0.015 0.000 0.888 197 Q CB 0.581 29.333 28.738 0.023 0.000 1.260 197 Q HN 0.822 nan 8.270 nan 0.000 0.435 198 N N 0.092 118.803 118.700 0.018 0.000 2.493 198 N HA 0.367 5.107 4.740 0.000 0.000 0.275 198 N C -0.920 174.602 175.510 0.021 0.000 1.186 198 N CA -0.309 52.750 53.050 0.016 0.000 0.978 198 N CB 1.054 39.554 38.487 0.021 0.000 1.184 198 N HN 0.597 nan 8.380 nan 0.000 0.487 199 S N -0.640 115.069 115.700 0.014 0.000 2.565 199 S HA 0.451 4.921 4.470 0.000 0.000 0.269 199 S C -1.395 173.208 174.600 0.006 0.000 1.153 199 S CA -0.835 57.374 58.200 0.014 0.000 0.835 199 S CB 1.486 64.696 63.200 0.017 0.000 1.122 199 S HN 0.171 nan 8.310 nan 0.000 0.462 200 V N 2.256 122.172 119.914 0.005 0.000 2.407 200 V HA 0.577 4.697 4.120 0.000 0.000 0.291 200 V C -0.861 175.235 176.094 0.004 0.000 1.018 200 V CA -0.406 61.889 62.300 -0.007 0.000 0.842 200 V CB 0.949 32.757 31.823 -0.025 0.000 0.996 200 V HN 0.875 nan 8.190 nan 0.000 0.426 201 I N 5.333 125.906 120.570 0.005 0.000 2.608 201 I HA 0.517 4.687 4.170 0.000 0.000 0.295 201 I C -0.546 175.576 176.117 0.008 0.000 1.049 201 I CA -0.687 60.627 61.300 0.023 0.000 1.063 201 I CB 2.591 40.608 38.000 0.029 0.000 1.248 201 I HN 0.389 nan 8.210 nan 0.000 0.424 202 I N 5.480 126.064 120.570 0.023 0.000 2.371 202 I HA 0.340 4.510 4.170 0.000 0.000 0.290 202 I C -0.307 175.816 176.117 0.011 0.000 1.028 202 I CA -0.360 60.920 61.300 -0.034 0.000 1.345 202 I CB 1.423 39.327 38.000 -0.161 0.000 1.407 202 I HN 0.217 nan 8.210 nan 0.000 0.501 203 V N 4.958 124.867 119.914 -0.008 0.000 3.046 203 V HA 0.276 4.397 4.120 0.000 0.000 0.316 203 V C -0.826 175.270 176.094 0.003 0.000 1.104 203 V CA -0.614 61.692 62.300 0.010 0.000 1.006 203 V CB 2.508 34.336 31.823 0.008 0.000 1.058 203 V HN 0.772 nan 8.190 nan 0.000 0.440 204 D N 1.607 122.015 120.400 0.014 0.000 2.349 204 D HA 0.307 4.947 4.640 0.000 0.000 0.232 204 D C 0.898 177.203 176.300 0.009 0.000 1.071 204 D CA -0.341 53.666 54.000 0.011 0.000 0.832 204 D CB 0.981 41.794 40.800 0.020 0.000 1.086 204 D HN 0.494 nan 8.370 nan 0.000 0.504 205 K N 2.298 122.701 120.400 0.005 0.000 3.190 205 K HA -0.302 4.018 4.320 0.000 0.000 0.193 205 K C 0.430 177.034 176.600 0.007 0.000 0.945 205 K CA 1.518 57.808 56.287 0.005 0.000 0.713 205 K CB -0.360 32.143 32.500 0.005 0.000 1.560 205 K HN 0.520 nan 8.250 nan 0.000 0.544 206 N N -1.480 117.225 118.700 0.008 0.000 2.171 206 N HA 0.080 4.820 4.740 0.000 0.000 0.212 206 N C 0.871 176.387 175.510 0.009 0.000 1.184 206 N CA 0.952 54.007 53.050 0.009 0.000 0.888 206 N CB 1.636 40.129 38.487 0.009 0.000 1.038 206 N HN 0.393 nan 8.380 nan 0.000 0.517 207 G N 0.861 109.667 108.800 0.010 0.000 2.176 207 G HA2 -0.226 3.734 3.960 0.000 0.000 0.232 207 G HA3 -0.226 3.734 3.960 0.000 0.000 0.232 207 G C 0.070 174.979 174.900 0.014 0.000 0.986 207 G CA -0.475 44.631 45.100 0.011 0.000 0.643 207 G HN 0.095 nan 8.290 nan 0.000 0.522 208 R N 0.524 121.033 120.500 0.016 0.000 2.449 208 R HA 0.305 4.645 4.340 0.000 0.000 0.296 208 R C 1.034 177.351 176.300 0.028 0.000 1.047 208 R CA -0.499 55.613 56.100 0.020 0.000 1.018 208 R CB 0.581 30.893 30.300 0.020 0.000 0.962 208 R HN 0.556 nan 8.270 nan 0.000 0.428 209 L N 3.808 125.049 121.223 0.030 0.000 2.498 209 L HA -0.129 4.211 4.340 0.000 0.000 0.293 209 L C 0.589 177.496 176.870 0.062 0.000 1.271 209 L CA 0.960 55.826 54.840 0.042 0.000 0.831 209 L CB 0.648 42.727 42.059 0.034 0.000 1.091 209 L HN 0.514 nan 8.230 nan 0.000 0.535 210 V N 1.353 121.327 119.914 0.100 0.000 3.742 210 V HA 0.001 4.121 4.120 0.000 0.000 0.178 210 V C 0.534 176.783 176.094 0.258 0.000 1.450 210 V CA 0.366 62.766 62.300 0.167 0.000 1.165 210 V CB -0.433 31.505 31.823 0.191 0.000 1.156 210 V HN 0.825 nan 8.190 nan 0.000 0.565 211 Y N -0.349 119.948 120.300 -0.006 0.000 2.673 211 Y HA 0.614 5.164 4.550 0.000 0.000 0.278 211 Y C 0.519 176.414 175.900 -0.009 0.000 1.127 211 Y CA -0.013 58.082 58.100 -0.009 0.000 1.261 211 Y CB 0.765 39.217 38.460 -0.014 0.000 1.412 211 Y HN 0.091 nan 8.280 nan 0.000 0.496 212 L N 0.448 121.766 121.223 0.158 0.000 3.291 212 L HA -0.210 4.130 4.340 0.000 0.000 0.659 212 L C -0.148 176.774 176.870 0.088 0.000 1.042 212 L CA -0.029 54.860 54.840 0.083 0.000 1.256 212 L CB -1.123 40.963 42.059 0.045 0.000 1.596 212 L HN 0.072 nan 8.230 nan 0.000 0.819 213 V N 1.359 121.322 119.914 0.083 0.000 2.379 213 V HA 0.082 4.202 4.120 0.000 0.000 0.245 213 V C 1.181 177.296 176.094 0.035 0.000 1.044 213 V CA 1.878 64.217 62.300 0.065 0.000 1.036 213 V CB -0.280 31.552 31.823 0.017 0.000 0.664 213 V HN 0.893 nan 8.190 nan 0.000 0.453 214 E N -1.091 119.125 120.200 0.027 0.000 2.393 214 E HA 0.208 4.558 4.350 0.000 0.000 0.282 214 E C -1.493 175.126 176.600 0.031 0.000 1.096 214 E CA -0.494 55.924 56.400 0.029 0.000 0.866 214 E CB 1.061 30.777 29.700 0.027 0.000 1.232 214 E HN 0.321 nan 8.360 nan 0.000 0.431 215 N N 4.034 122.759 118.700 0.040 0.000 2.898 215 N HA 0.297 5.037 4.740 0.000 0.000 0.245 215 N C -2.610 172.938 175.510 0.064 0.000 1.185 215 N CA -1.559 51.517 53.050 0.044 0.000 0.879 215 N CB 1.157 39.668 38.487 0.040 0.000 1.157 215 N HN 0.158 nan 8.380 nan 0.000 0.503 216 P HA -0.052 nan 4.420 nan 0.000 0.263 216 P C 1.008 178.390 177.300 0.136 0.000 1.175 216 P CA 0.200 63.357 63.100 0.096 0.000 0.761 216 P CB 0.794 32.536 31.700 0.070 0.000 0.794 217 G N 2.680 111.589 108.800 0.183 0.000 2.430 217 G HA2 0.068 4.028 3.960 0.000 0.000 0.216 217 G HA3 0.068 4.028 3.960 0.000 0.000 0.216 217 G C 0.814 175.933 174.900 0.366 0.000 1.146 217 G CA 0.566 45.819 45.100 0.256 0.000 0.793 217 G HN 0.678 nan 8.290 nan 0.000 0.537 218 G N -1.082 107.885 108.800 0.280 0.000 2.525 218 G HA2 0.558 4.518 3.960 0.000 0.000 0.287 218 G HA3 0.558 4.518 3.960 0.000 0.000 0.287 218 G C -0.695 174.291 174.900 0.144 0.000 1.350 218 G CA -0.228 44.945 45.100 0.122 0.000 1.039 218 G HN 0.727 nan 8.290 nan 0.000 0.513 219 Y N -3.944 116.236 120.300 -0.201 0.000 2.779 219 Y HA 0.580 5.130 4.550 0.000 0.000 0.340 219 Y C -1.559 174.168 175.900 -0.289 0.000 1.252 219 Y CA -1.471 56.534 58.100 -0.159 0.000 1.072 219 Y CB 1.065 39.518 38.460 -0.012 0.000 1.343 219 Y HN 0.487 nan 8.280 nan 0.000 0.450 220 V N 2.674 122.514 119.914 -0.122 0.000 2.350 220 V HA 0.752 4.872 4.120 0.000 0.000 0.285 220 V C 0.273 176.355 176.094 -0.020 0.000 1.014 220 V CA -0.443 61.673 62.300 -0.306 0.000 0.831 220 V CB 0.689 32.400 31.823 -0.187 0.000 1.000 220 V HN 1.068 nan 8.190 nan 0.000 0.433 221 A N 4.030 126.727 122.820 -0.205 0.000 2.511 221 A HA 0.504 4.824 4.320 0.000 0.000 0.242 221 A C 0.294 177.941 177.584 0.106 0.000 1.069 221 A CA 0.443 52.524 52.037 0.074 0.000 0.763 221 A CB -0.615 18.378 19.000 -0.012 0.000 1.001 221 A HN 1.209 nan 8.150 nan 0.000 0.498 222 Y N 0.123 120.609 120.300 0.310 0.000 4.786 222 Y HA -0.241 4.309 4.550 0.000 0.000 0.243 222 Y C 1.127 177.127 175.900 0.167 0.000 1.027 222 Y CA 0.740 58.981 58.100 0.236 0.000 2.052 222 Y CB -1.949 36.656 38.460 0.242 0.000 1.578 222 Y HN 0.942 nan 8.280 nan 0.000 0.655 223 S N 1.118 116.953 115.700 0.226 0.000 2.614 223 S HA 0.328 4.798 4.470 0.000 0.000 0.265 223 S C 0.155 174.838 174.600 0.138 0.000 1.303 223 S CA -0.597 57.691 58.200 0.146 0.000 1.000 223 S CB 1.383 64.639 63.200 0.093 0.000 0.935 223 S HN 0.305 nan 8.310 nan 0.000 0.551 224 K N 1.456 121.916 120.400 0.100 0.000 2.249 224 K HA 0.486 4.806 4.320 0.000 0.000 0.280 224 K C -0.324 176.316 176.600 0.066 0.000 1.033 224 K CA -0.428 55.912 56.287 0.089 0.000 0.946 224 K CB 0.566 33.106 32.500 0.068 0.000 1.005 224 K HN 0.718 nan 8.250 nan 0.000 0.469 225 A N 2.966 125.823 122.820 0.062 0.000 2.347 225 A HA 0.568 4.888 4.320 0.000 0.000 0.287 225 A C -0.559 177.044 177.584 0.031 0.000 1.199 225 A CA 0.163 52.224 52.037 0.040 0.000 0.851 225 A CB -0.098 18.922 19.000 0.033 0.000 1.118 225 A HN 0.879 nan 8.150 nan 0.000 0.525 226 A N 1.749 124.584 122.820 0.024 0.000 2.515 226 A HA 0.798 5.118 4.320 0.000 0.000 0.292 226 A C -0.433 177.159 177.584 0.014 0.000 1.065 226 A CA 0.193 52.241 52.037 0.019 0.000 0.641 226 A CB 0.577 19.590 19.000 0.022 0.000 1.306 226 A HN 1.838 nan 8.150 nan 0.000 0.441 227 T N -0.014 114.547 114.554 0.011 0.000 2.949 227 T HA 0.650 5.000 4.350 0.000 0.000 0.300 227 T C -0.747 173.957 174.700 0.008 0.000 0.988 227 T CA 0.179 62.285 62.100 0.008 0.000 0.993 227 T CB 0.264 69.136 68.868 0.008 0.000 0.984 227 T HN 2.188 nan 8.240 nan 0.000 0.442 228 V N 1.808 121.725 119.914 0.006 0.000 3.074 228 V HA 1.039 5.159 4.120 0.000 0.000 0.314 228 V C -0.353 175.743 176.094 0.003 0.000 1.117 228 V CA -0.534 61.769 62.300 0.006 0.000 1.014 228 V CB 1.647 33.474 31.823 0.007 0.000 1.057 228 V HN 1.121 nan 8.190 nan 0.000 0.438 229 T N -0.060 114.496 114.554 0.004 0.000 2.982 229 T HA 0.900 5.250 4.350 0.000 0.000 0.321 229 T C -0.327 174.376 174.700 0.005 0.000 1.229 229 T CA 0.489 62.591 62.100 0.002 0.000 1.044 229 T CB 1.152 70.021 68.868 0.002 0.000 1.184 229 T HN 2.490 nan 8.240 nan 0.000 0.477 230 G N 2.394 111.196 108.800 0.003 0.000 2.325 230 G HA2 0.459 4.419 3.960 0.000 0.000 0.295 230 G HA3 0.459 4.419 3.960 0.000 0.000 0.295 230 G C -1.546 173.359 174.900 0.008 0.000 1.274 230 G CA -0.702 44.403 45.100 0.008 0.000 0.857 230 G HN 0.960 nan 8.290 nan 0.000 0.499 231 K N -0.546 119.864 120.400 0.016 0.000 2.237 231 K HA 0.589 4.909 4.320 0.000 0.000 0.270 231 K C -0.750 175.868 176.600 0.030 0.000 1.015 231 K CA -0.556 55.743 56.287 0.020 0.000 0.949 231 K CB 2.004 34.521 32.500 0.029 0.000 0.976 231 K HN 0.402 nan 8.250 nan 0.000 0.472 232 L N 3.651 124.891 121.223 0.028 0.000 2.272 232 L HA 0.209 4.549 4.340 0.000 0.000 0.284 232 L C -1.157 175.765 176.870 0.086 0.000 1.045 232 L CA -0.485 54.380 54.840 0.041 0.000 0.842 232 L CB 1.114 43.180 42.059 0.010 0.000 1.224 232 L HN 0.523 nan 8.230 nan 0.000 0.430 233 V N 4.180 124.159 119.914 0.109 0.000 2.644 233 V HA 0.293 4.413 4.120 0.000 0.000 0.295 233 V C -0.057 176.156 176.094 0.197 0.000 1.053 233 V CA -0.747 61.648 62.300 0.159 0.000 0.987 233 V CB 1.269 33.190 31.823 0.163 0.000 1.006 233 V HN 0.622 nan 8.190 nan 0.000 0.472 234 H N 3.235 122.404 119.070 0.166 0.000 2.597 234 H HA 0.676 5.232 4.556 0.000 0.000 0.303 234 H C -0.050 175.382 175.328 0.173 0.000 1.057 234 H CA -0.009 56.160 56.048 0.202 0.000 1.261 234 H CB 1.303 31.240 29.762 0.292 0.000 1.397 234 H HN 0.836 nan 8.280 nan 0.000 0.461 235 A N 4.162 126.976 122.820 -0.010 0.000 2.247 235 A HA 0.316 4.636 4.320 0.000 0.000 0.313 235 A C -0.118 177.238 177.584 -0.381 0.000 1.109 235 A CA -0.836 51.029 52.037 -0.286 0.000 0.890 235 A CB 0.725 19.183 19.000 -0.904 0.000 1.239 235 A HN 0.862 nan 8.150 nan 0.000 0.506 236 N N -0.751 117.529 118.700 -0.700 0.000 2.442 236 N HA 0.457 5.197 4.740 0.000 0.000 0.274 236 N C -0.536 174.637 175.510 -0.561 0.000 1.002 236 N CA -0.528 51.922 53.050 -1.001 0.000 0.910 236 N CB 0.382 37.671 38.487 -1.996 0.000 1.244 236 N HN 0.646 nan 8.380 nan 0.000 0.492 237 F N 2.209 121.949 119.950 -0.351 0.000 2.742 237 F HA -0.354 4.173 4.527 0.000 0.000 0.470 237 F C 1.475 177.174 175.800 -0.169 0.000 0.557 237 F CA 0.925 58.796 58.000 -0.216 0.000 0.930 237 F CB -1.184 37.704 39.000 -0.187 0.000 1.616 237 F HN 0.789 nan 8.300 nan 0.000 0.271 238 G N 0.029 108.767 108.800 -0.103 0.000 2.143 238 G HA2 -0.286 3.674 3.960 0.000 0.000 0.249 238 G HA3 -0.286 3.674 3.960 0.000 0.000 0.249 238 G C 0.136 175.126 174.900 0.150 0.000 0.981 238 G CA 0.310 45.387 45.100 -0.038 0.000 0.665 238 G HN 0.490 nan 8.290 nan 0.000 0.528 239 T N -0.049 114.545 114.554 0.068 0.000 2.939 239 T HA 0.168 4.518 4.350 0.000 0.000 0.319 239 T C 1.715 176.539 174.700 0.206 0.000 1.082 239 T CA 0.891 63.056 62.100 0.109 0.000 1.133 239 T CB 1.125 70.029 68.868 0.059 0.000 1.019 239 T HN 0.424 nan 8.240 nan 0.000 0.548 240 K N 1.876 122.385 120.400 0.182 0.000 2.103 240 K HA -0.152 4.168 4.320 0.000 0.000 0.207 240 K C 2.203 178.908 176.600 0.176 0.000 1.048 240 K CA 1.537 57.938 56.287 0.191 0.000 0.930 240 K CB -0.013 32.548 32.500 0.101 0.000 0.716 240 K HN 0.483 nan 8.250 nan 0.000 0.444 241 K N 0.415 120.884 120.400 0.115 0.000 2.062 241 K HA -0.133 4.187 4.320 0.000 0.000 0.205 241 K C 1.257 177.901 176.600 0.074 0.000 1.051 241 K CA 1.964 58.302 56.287 0.086 0.000 0.941 241 K CB 0.039 32.576 32.500 0.061 0.000 0.719 241 K HN 0.088 nan 8.250 nan 0.000 0.440 242 D N 0.121 120.539 120.400 0.031 0.000 2.133 242 D HA -0.170 4.470 4.640 0.000 0.000 0.195 242 D C 1.492 177.758 176.300 -0.058 0.000 0.997 242 D CA 1.372 55.333 54.000 -0.065 0.000 0.840 242 D CB -0.179 40.478 40.800 -0.238 0.000 0.947 242 D HN 0.205 nan 8.370 nan 0.000 0.452 243 F N 0.777 120.744 119.950 0.029 0.000 2.186 243 F HA -0.061 4.466 4.527 0.000 0.000 0.299 243 F C 2.422 178.236 175.800 0.022 0.000 1.090 243 F CA 0.897 58.918 58.000 0.035 0.000 1.307 243 F CB -0.044 38.971 39.000 0.026 0.000 1.019 243 F HN -0.064 nan 8.300 nan 0.000 0.489 244 E N 0.421 120.740 120.200 0.199 0.000 2.038 244 E HA -0.238 4.112 4.350 0.000 0.000 0.195 244 E C 1.060 177.682 176.600 0.037 0.000 1.000 244 E CA 1.686 58.148 56.400 0.104 0.000 0.803 244 E CB -0.073 29.676 29.700 0.082 0.000 0.750 244 E HN 0.275 nan 8.360 nan 0.000 0.448 245 D N 0.353 120.757 120.400 0.007 0.000 2.336 245 D HA 0.050 4.690 4.640 0.000 0.000 0.229 245 D C 0.361 176.517 176.300 -0.240 0.000 1.061 245 D CA 0.187 54.132 54.000 -0.091 0.000 0.875 245 D CB 0.027 40.800 40.800 -0.046 0.000 0.904 245 D HN 0.206 nan 8.370 nan 0.000 0.525 246 L N 0.370 121.532 121.223 -0.101 0.000 2.452 246 L HA -0.003 4.337 4.340 0.000 0.000 0.267 246 L C 1.206 177.974 176.870 -0.170 0.000 1.188 246 L CA -0.339 54.451 54.840 -0.083 0.000 0.821 246 L CB 0.629 42.765 42.059 0.129 0.000 1.102 246 L HN -0.020 nan 8.230 nan 0.000 0.470 247 Y N -0.487 119.866 120.300 0.090 0.000 2.266 247 Y HA 0.028 4.578 4.550 0.000 0.000 0.294 247 Y C 1.420 177.359 175.900 0.065 0.000 1.127 247 Y CA -0.350 57.785 58.100 0.059 0.000 1.140 247 Y CB -0.644 37.832 38.460 0.026 0.000 1.071 247 Y HN 0.397 nan 8.280 nan 0.000 0.525 248 T N 4.819 119.548 114.554 0.292 0.000 2.834 248 T HA 0.163 4.513 4.350 0.000 0.000 0.298 248 T C -2.322 172.477 174.700 0.165 0.000 0.966 248 T CA -1.220 60.991 62.100 0.185 0.000 1.141 248 T CB 0.642 69.609 68.868 0.164 0.000 0.905 248 T HN 0.035 nan 8.240 nan 0.000 0.535 249 P HA 0.158 nan 4.420 nan 0.000 0.271 249 P C 0.435 177.812 177.300 0.129 0.000 1.218 249 P CA -0.314 62.855 63.100 0.116 0.000 0.780 249 P CB 1.008 32.757 31.700 0.082 0.000 0.901 250 V N 1.262 121.262 119.914 0.145 0.000 3.174 250 V HA -0.069 4.051 4.120 0.000 0.000 0.254 250 V C 1.343 177.487 176.094 0.082 0.000 1.120 250 V CA 0.516 62.908 62.300 0.153 0.000 1.114 250 V CB -1.389 30.577 31.823 0.239 0.000 0.756 250 V HN 0.701 nan 8.190 nan 0.000 0.467 251 N N 1.845 120.577 118.700 0.054 0.000 2.131 251 N HA 0.055 4.795 4.740 0.000 0.000 0.276 251 N C 1.182 176.711 175.510 0.031 0.000 1.295 251 N CA 1.456 54.522 53.050 0.028 0.000 0.818 251 N CB 0.227 38.729 38.487 0.025 0.000 1.049 251 N HN 0.452 nan 8.380 nan 0.000 0.484 252 G N 1.570 110.382 108.800 0.020 0.000 2.196 252 G HA2 -0.270 3.690 3.960 0.000 0.000 0.268 252 G HA3 -0.270 3.690 3.960 0.000 0.000 0.268 252 G C -0.001 174.915 174.900 0.027 0.000 0.975 252 G CA 0.879 45.991 45.100 0.021 0.000 0.648 252 G HN 1.232 nan 8.290 nan 0.000 0.538 253 S N -1.076 114.647 115.700 0.038 0.000 2.709 253 S HA 0.810 5.280 4.470 0.000 0.000 0.302 253 S C -0.061 174.567 174.600 0.047 0.000 1.127 253 S CA -1.127 57.099 58.200 0.043 0.000 0.905 253 S CB 2.206 65.439 63.200 0.054 0.000 1.151 253 S HN 0.454 nan 8.310 nan 0.000 0.510 254 I N 1.376 121.970 120.570 0.040 0.000 2.519 254 I HA 0.345 4.515 4.170 0.000 0.000 0.287 254 I C -0.652 175.500 176.117 0.057 0.000 1.047 254 I CA -0.595 60.726 61.300 0.035 0.000 1.381 254 I CB 1.138 39.146 38.000 0.013 0.000 1.417 254 I HN 0.333 nan 8.210 nan 0.000 0.540 255 V N 7.134 127.087 119.914 0.065 0.000 2.667 255 V HA 0.469 4.589 4.120 0.000 0.000 0.308 255 V C -0.202 175.900 176.094 0.014 0.000 1.048 255 V CA -0.729 61.622 62.300 0.085 0.000 0.928 255 V CB 2.217 34.157 31.823 0.195 0.000 1.004 255 V HN 0.526 nan 8.190 nan 0.000 0.444 256 I N 5.101 125.647 120.570 -0.039 0.000 2.465 256 I HA 0.796 4.966 4.170 0.000 0.000 0.291 256 I C -0.864 175.113 176.117 -0.233 0.000 1.014 256 I CA -0.529 60.713 61.300 -0.096 0.000 1.093 256 I CB 1.662 39.609 38.000 -0.089 0.000 1.267 256 I HN 0.582 nan 8.210 nan 0.000 0.431 257 V N 3.856 123.698 119.914 -0.120 0.000 3.130 257 V HA 0.649 4.769 4.120 0.000 0.000 0.310 257 V C -0.640 175.345 176.094 -0.182 0.000 1.158 257 V CA -1.080 61.100 62.300 -0.200 0.000 1.029 257 V CB 1.861 33.587 31.823 -0.162 0.000 1.057 257 V HN 0.748 nan 8.190 nan 0.000 0.436 258 R N 1.172 121.488 120.500 -0.306 0.000 2.459 258 R HA 0.752 5.093 4.340 0.000 0.000 0.281 258 R C 0.196 176.496 176.300 -0.000 0.000 1.050 258 R CA 0.021 55.874 56.100 -0.411 0.000 1.055 258 R CB 1.718 31.753 30.300 -0.440 0.000 1.045 258 R HN 1.110 nan 8.270 nan 0.000 0.495 259 A N 1.300 124.091 122.820 -0.047 0.000 2.407 259 A HA 0.567 4.887 4.320 0.000 0.000 0.248 259 A C 0.522 178.354 177.584 0.413 0.000 1.082 259 A CA 0.694 52.839 52.037 0.180 0.000 0.785 259 A CB 0.319 19.321 19.000 0.002 0.000 1.020 259 A HN 0.870 nan 8.150 nan 0.000 0.489 260 G N 0.594 109.579 108.800 0.309 0.000 2.381 260 G HA2 0.311 4.271 3.960 0.000 0.000 0.672 260 G HA3 0.311 4.271 3.960 0.000 0.000 0.672 260 G C 0.188 174.920 174.900 -0.279 0.000 1.324 260 G CA 0.024 45.160 45.100 0.061 0.000 0.975 260 G HN 1.246 nan 8.290 nan 0.000 0.593 261 K N -2.394 117.744 120.400 -0.437 0.000 5.625 261 K HA -0.307 4.013 4.320 0.000 0.000 0.420 261 K C 1.252 177.726 176.600 -0.210 0.000 0.485 261 K CA 2.776 58.804 56.287 -0.431 0.000 1.772 261 K CB -1.898 30.165 32.500 -0.728 0.000 1.074 261 K HN 1.887 nan 8.250 nan 0.000 0.653 262 I N -3.675 116.816 120.570 -0.131 0.000 3.354 262 I HA 0.392 4.562 4.170 0.000 0.000 0.316 262 I C -0.045 176.061 176.117 -0.018 0.000 1.182 262 I CA -1.035 60.225 61.300 -0.066 0.000 0.942 262 I CB 2.055 40.035 38.000 -0.033 0.000 1.299 262 I HN -0.138 nan 8.210 nan 0.000 0.473 263 T N 1.439 115.966 114.554 -0.046 0.000 2.898 263 T HA 0.318 4.668 4.350 0.000 0.000 0.301 263 T C 0.872 175.624 174.700 0.086 0.000 1.049 263 T CA 0.056 62.113 62.100 -0.071 0.000 1.095 263 T CB 0.538 69.313 68.868 -0.156 0.000 0.976 263 T HN 0.464 nan 8.240 nan 0.000 0.539 264 F N 0.885 120.718 119.950 -0.196 0.000 2.069 264 F HA -0.172 4.355 4.527 0.000 0.000 0.298 264 F C 2.841 178.546 175.800 -0.159 0.000 1.113 264 F CA 0.688 58.575 58.000 -0.187 0.000 1.214 264 F CB -0.433 38.396 39.000 -0.284 0.000 0.978 264 F HN 0.681 nan 8.300 nan 0.000 0.474 265 A N 0.302 123.122 122.820 -0.000 0.000 1.958 265 A HA -0.266 4.054 4.320 0.000 0.000 0.221 265 A C 1.918 179.492 177.584 -0.017 0.000 1.178 265 A CA 2.172 54.187 52.037 -0.036 0.000 0.642 265 A CB -0.827 18.106 19.000 -0.113 0.000 0.816 265 A HN 0.491 nan 8.150 nan 0.000 0.453 266 E N -0.357 119.831 120.200 -0.020 0.000 2.047 266 E HA -0.170 4.181 4.350 0.000 0.000 0.191 266 E C 2.101 178.724 176.600 0.038 0.000 0.987 266 E CA 1.306 57.703 56.400 -0.005 0.000 0.799 266 E CB -0.165 29.525 29.700 -0.017 0.000 0.752 266 E HN 0.624 nan 8.360 nan 0.000 0.449 267 K N 0.620 121.060 120.400 0.067 0.000 2.001 267 K HA -0.164 4.156 4.320 0.000 0.000 0.214 267 K C 2.222 178.873 176.600 0.085 0.000 1.050 267 K CA 1.567 57.919 56.287 0.109 0.000 0.934 267 K CB -0.382 32.163 32.500 0.075 0.000 0.718 267 K HN -0.041 nan 8.250 nan 0.000 0.443 268 V N 1.344 121.278 119.914 0.034 0.000 2.392 268 V HA -0.288 3.832 4.120 0.000 0.000 0.249 268 V C 2.307 178.396 176.094 -0.009 0.000 1.059 268 V CA 2.103 64.409 62.300 0.010 0.000 1.051 268 V CB -0.764 31.062 31.823 0.005 0.000 0.658 268 V HN 0.428 nan 8.190 nan 0.000 0.455 269 A N -0.017 122.798 122.820 -0.008 0.000 1.968 269 A HA -0.151 4.169 4.320 0.000 0.000 0.217 269 A C 2.076 179.619 177.584 -0.068 0.000 1.169 269 A CA 1.592 53.612 52.037 -0.028 0.000 0.638 269 A CB -0.489 18.500 19.000 -0.018 0.000 0.812 269 A HN 0.582 nan 8.150 nan 0.000 0.446 270 N N 0.545 119.204 118.700 -0.068 0.000 2.171 270 N HA -0.048 4.692 4.740 0.000 0.000 0.184 270 N C 1.932 177.165 175.510 -0.462 0.000 1.021 270 N CA 1.446 54.395 53.050 -0.168 0.000 0.854 270 N CB -0.524 37.960 38.487 -0.005 0.000 0.994 270 N HN 0.437 nan 8.380 nan 0.000 0.426 271 A N 1.241 123.833 122.820 -0.381 0.000 1.877 271 A HA -0.166 4.154 4.320 0.000 0.000 0.216 271 A C 2.130 179.546 177.584 -0.281 0.000 1.186 271 A CA 1.607 53.368 52.037 -0.461 0.000 0.620 271 A CB -0.679 18.290 19.000 -0.051 0.000 0.822 271 A HN 0.405 nan 8.150 nan 0.000 0.443 272 E N 0.449 120.557 120.200 -0.153 0.000 2.160 272 E HA -0.182 4.168 4.350 0.000 0.000 0.195 272 E C 1.990 178.525 176.600 -0.108 0.000 0.991 272 E CA 1.507 57.849 56.400 -0.097 0.000 0.810 272 E CB -0.122 29.547 29.700 -0.052 0.000 0.742 272 E HN 0.743 nan 8.360 nan 0.000 0.466 273 S N -0.244 115.371 115.700 -0.141 0.000 2.515 273 S HA -0.026 4.444 4.470 0.000 0.000 0.231 273 S C 1.513 176.033 174.600 -0.133 0.000 0.987 273 S CA 0.364 58.494 58.200 -0.117 0.000 0.936 273 S CB -0.000 63.135 63.200 -0.109 0.000 0.766 273 S HN 0.295 nan 8.310 nan 0.000 0.528 274 L N 1.197 122.301 121.223 -0.199 0.000 2.872 274 L HA 0.350 4.690 4.340 0.000 0.000 0.245 274 L C 0.169 176.977 176.870 -0.103 0.000 1.211 274 L CA -0.287 54.450 54.840 -0.172 0.000 1.013 274 L CB -0.559 41.322 42.059 -0.296 0.000 1.326 274 L HN 0.198 nan 8.230 nan 0.000 0.525 275 N N 0.036 118.687 118.700 -0.082 0.000 2.753 275 N HA -0.178 4.562 4.740 0.000 0.000 0.251 275 N C 0.564 176.056 175.510 -0.030 0.000 1.097 275 N CA 0.927 53.951 53.050 -0.044 0.000 0.786 275 N CB -0.742 37.731 38.487 -0.023 0.000 1.137 275 N HN 0.473 nan 8.380 nan 0.000 0.566 276 A N 0.395 123.187 122.820 -0.047 0.000 2.409 276 A HA 0.549 4.869 4.320 0.000 0.000 0.246 276 A C 0.643 178.224 177.584 -0.005 0.000 1.099 276 A CA 0.317 52.349 52.037 -0.008 0.000 0.789 276 A CB 0.399 19.398 19.000 -0.002 0.000 1.053 276 A HN 0.285 nan 8.150 nan 0.000 0.503 277 I N 0.211 120.787 120.570 0.011 0.000 2.478 277 I HA 0.558 4.728 4.170 0.000 0.000 0.287 277 I C 0.521 176.644 176.117 0.009 0.000 1.042 277 I CA -0.013 61.292 61.300 0.008 0.000 1.067 277 I CB 1.429 39.435 38.000 0.010 0.000 1.233 277 I HN 1.209 nan 8.210 nan 0.000 0.431 278 G N 4.141 112.944 108.800 0.005 0.000 2.801 278 G HA2 -0.003 3.957 3.960 0.000 0.000 0.686 278 G HA3 -0.003 3.957 3.960 0.000 0.000 0.686 278 G C -1.096 173.802 174.900 -0.002 0.000 1.507 278 G CA -0.884 44.215 45.100 -0.002 0.000 0.980 278 G HN 0.586 nan 8.290 nan 0.000 0.589 279 V N 2.556 122.456 119.914 -0.023 0.000 2.808 279 V HA 0.655 4.775 4.120 0.000 0.000 0.308 279 V C 0.272 176.319 176.094 -0.078 0.000 1.099 279 V CA -0.801 61.478 62.300 -0.035 0.000 0.920 279 V CB 1.971 33.768 31.823 -0.044 0.000 1.014 279 V HN 0.815 nan 8.190 nan 0.000 0.425 280 L N 5.317 126.495 121.223 -0.076 0.000 2.322 280 L HA 0.674 5.014 4.340 0.000 0.000 0.281 280 L C -0.842 175.975 176.870 -0.088 0.000 1.014 280 L CA -0.498 54.288 54.840 -0.090 0.000 0.815 280 L CB 1.951 43.968 42.059 -0.070 0.000 1.247 280 L HN 0.464 nan 8.230 nan 0.000 0.421 281 I N 3.081 123.566 120.570 -0.143 0.000 2.509 281 I HA 0.489 4.659 4.170 0.000 0.000 0.293 281 I C -0.949 175.275 176.117 0.178 0.000 1.020 281 I CA -0.783 60.436 61.300 -0.134 0.000 1.088 281 I CB 1.943 39.591 38.000 -0.586 0.000 1.267 281 I HN 0.536 nan 8.210 nan 0.000 0.430 282 Y N 3.238 123.584 120.300 0.076 0.000 2.655 282 Y HA 0.717 5.267 4.550 0.000 0.000 0.336 282 Y C -1.586 174.238 175.900 -0.126 0.000 1.154 282 Y CA -1.506 56.654 58.100 0.100 0.000 1.055 282 Y CB 1.658 40.126 38.460 0.014 0.000 1.295 282 Y HN 0.335 nan 8.280 nan 0.000 0.465 283 M N 4.336 123.675 119.600 -0.435 0.000 2.047 283 M HA 0.217 4.697 4.480 0.000 0.000 0.342 283 M C -1.154 175.059 176.300 -0.145 0.000 1.058 283 M CA -0.743 54.136 55.300 -0.701 0.000 0.991 283 M CB 0.868 32.822 32.600 -1.076 0.000 1.474 283 M HN 0.710 nan 8.290 nan 0.000 0.419 284 D N 2.502 122.862 120.400 -0.067 0.000 2.382 284 D HA -0.064 4.576 4.640 0.000 0.000 0.240 284 D C 0.453 176.898 176.300 0.243 0.000 1.146 284 D CA -0.161 53.986 54.000 0.245 0.000 0.897 284 D CB 1.227 42.166 40.800 0.232 0.000 1.197 284 D HN 0.708 nan 8.370 nan 0.000 0.432 285 Q N 1.007 120.935 119.800 0.213 0.000 2.226 285 Q HA -0.141 4.199 4.340 0.000 0.000 0.204 285 Q C 1.282 177.360 176.000 0.131 0.000 0.975 285 Q CA 1.404 57.304 55.803 0.161 0.000 0.866 285 Q CB 0.105 28.920 28.738 0.128 0.000 0.915 285 Q HN 0.620 nan 8.270 nan 0.000 0.440 286 T N 0.763 115.395 114.554 0.130 0.000 2.612 286 T HA -0.098 4.252 4.350 0.000 0.000 0.259 286 T C 1.664 176.398 174.700 0.057 0.000 1.065 286 T CA 1.044 63.196 62.100 0.086 0.000 1.167 286 T CB -0.062 68.858 68.868 0.087 0.000 0.863 286 T HN 0.153 nan 8.240 nan 0.000 0.407 287 K N 0.426 120.881 120.400 0.092 0.000 2.097 287 K HA 0.011 4.331 4.320 0.000 0.000 0.206 287 K C 0.104 176.483 176.600 -0.370 0.000 1.049 287 K CA 0.976 57.214 56.287 -0.083 0.000 0.933 287 K CB -0.263 32.274 32.500 0.061 0.000 0.717 287 K HN 0.363 nan 8.250 nan 0.000 0.442 288 F N 1.802 121.734 119.950 -0.029 0.000 2.453 288 F HA 0.233 4.760 4.527 0.000 0.000 0.358 288 F C -2.088 173.682 175.800 -0.050 0.000 1.129 288 F CA -2.730 55.227 58.000 -0.072 0.000 1.200 288 F CB 1.194 40.133 39.000 -0.102 0.000 1.431 288 F HN -0.142 nan 8.300 nan 0.000 0.503 289 P HA 0.075 nan 4.420 nan 0.000 0.241 289 P C -0.194 177.137 177.300 0.052 0.000 1.760 289 P CA 0.374 63.499 63.100 0.042 0.000 1.081 289 P CB -0.195 31.505 31.700 -0.001 0.000 1.975 290 I N -1.193 119.439 120.570 0.103 0.000 2.498 290 I HA 0.287 4.458 4.170 0.000 0.000 0.301 290 I C 1.135 177.323 176.117 0.118 0.000 0.984 290 I CA -0.993 60.397 61.300 0.149 0.000 1.204 290 I CB 1.673 39.792 38.000 0.198 0.000 1.362 290 I HN -0.211 nan 8.210 nan 0.000 0.471 291 V N 3.073 123.057 119.914 0.116 0.000 2.239 291 V HA -0.172 3.948 4.120 0.000 0.000 0.242 291 V C 1.230 177.368 176.094 0.073 0.000 1.038 291 V CA 1.559 63.908 62.300 0.081 0.000 1.002 291 V CB -0.919 30.945 31.823 0.067 0.000 0.641 291 V HN 0.960 nan 8.190 nan 0.000 0.449 292 N N 1.065 119.807 118.700 0.070 0.000 2.427 292 N HA 0.133 4.874 4.740 0.000 0.000 0.269 292 N C 0.473 176.024 175.510 0.069 0.000 1.235 292 N CA 0.745 53.831 53.050 0.060 0.000 0.934 292 N CB 1.223 39.739 38.487 0.048 0.000 1.121 292 N HN 0.323 nan 8.380 nan 0.000 0.480 293 A N 3.837 126.696 122.820 0.065 0.000 2.218 293 A HA 0.058 4.378 4.320 0.000 0.000 0.209 293 A C 1.333 178.956 177.584 0.066 0.000 1.168 293 A CA 0.349 52.427 52.037 0.068 0.000 0.804 293 A CB -0.036 19.006 19.000 0.070 0.000 0.834 293 A HN 0.707 nan 8.150 nan 0.000 0.482 294 E N -0.607 119.632 120.200 0.065 0.000 2.489 294 E HA 0.044 4.394 4.350 0.000 0.000 0.193 294 E C 0.046 176.702 176.600 0.094 0.000 1.057 294 E CA -0.203 56.240 56.400 0.072 0.000 0.866 294 E CB -0.121 29.616 29.700 0.062 0.000 0.916 294 E HN 0.502 nan 8.360 nan 0.000 0.500 295 L N 2.454 123.732 121.223 0.092 0.000 2.513 295 L HA -0.019 4.321 4.340 0.000 0.000 0.272 295 L C 0.255 177.225 176.870 0.167 0.000 1.187 295 L CA 0.106 55.018 54.840 0.120 0.000 0.895 295 L CB 0.487 42.604 42.059 0.096 0.000 1.147 295 L HN -0.123 nan 8.230 nan 0.000 0.483 296 S N 4.961 120.819 115.700 0.264 0.000 2.718 296 S HA 0.851 5.321 4.470 0.000 0.000 0.300 296 S C -0.446 174.483 174.600 0.547 0.000 1.117 296 S CA -0.692 57.746 58.200 0.397 0.000 1.002 296 S CB 1.392 64.791 63.200 0.332 0.000 1.092 296 S HN 0.614 nan 8.310 nan 0.000 0.542 297 F N -1.530 118.455 119.950 0.058 0.000 2.664 297 F HA 0.845 5.372 4.527 0.000 0.000 0.317 297 F C -1.201 174.408 175.800 -0.320 0.000 1.108 297 F CA -1.763 56.225 58.000 -0.020 0.000 0.957 297 F CB 1.131 40.156 39.000 0.042 0.000 1.365 297 F HN 0.629 nan 8.300 nan 0.000 0.475 298 F N 0.530 120.105 119.950 -0.626 0.000 2.556 298 F HA 0.932 5.459 4.527 0.000 0.000 0.327 298 F C -0.300 175.171 175.800 -0.548 0.000 1.059 298 F CA -0.408 56.997 58.000 -0.992 0.000 0.953 298 F CB 2.124 40.052 39.000 -1.786 0.000 1.227 298 F HN 0.925 nan 8.300 nan 0.000 0.478 299 G N 1.698 109.319 108.800 -1.965 0.000 2.495 299 G HA2 0.473 4.433 3.960 0.000 0.000 0.294 299 G HA3 0.473 4.433 3.960 0.000 0.000 0.294 299 G C -2.412 171.718 174.900 -1.283 0.000 1.397 299 G CA -0.664 43.586 45.100 -1.415 0.000 0.790 299 G HN 1.155 nan 8.290 nan 0.000 0.486 300 H N -2.305 116.340 119.070 -0.708 0.000 2.821 300 H HA 0.810 5.366 4.556 0.000 0.000 0.373 300 H C 0.105 175.425 175.328 -0.013 0.000 1.165 300 H CA -0.349 55.529 56.048 -0.284 0.000 1.154 300 H CB 2.192 31.915 29.762 -0.064 0.000 1.765 300 H HN 0.837 nan 8.280 nan 0.000 0.549 301 A N 1.697 124.604 122.820 0.144 0.000 2.574 301 A HA 0.098 4.418 4.320 0.000 0.000 0.283 301 A C -0.200 177.517 177.584 0.222 0.000 1.270 301 A CA -0.282 51.809 52.037 0.090 0.000 0.945 301 A CB -0.990 18.073 19.000 0.105 0.000 1.127 301 A HN 0.812 nan 8.150 nan 0.000 0.522 302 H N 0.232 119.528 119.070 0.376 0.000 2.878 302 H HA 0.350 4.906 4.556 0.000 0.000 0.290 302 H C -0.190 175.220 175.328 0.137 0.000 1.065 302 H CA -0.877 55.285 56.048 0.191 0.000 1.477 302 H CB 0.493 30.251 29.762 -0.006 0.000 1.484 302 H HN 0.147 nan 8.280 nan 0.000 0.504 303 L N 6.490 127.609 121.223 -0.174 0.000 2.416 303 L HA 0.322 4.662 4.340 0.000 0.000 0.243 303 L C 0.565 177.175 176.870 -0.432 0.000 1.373 303 L CA 1.116 55.818 54.840 -0.230 0.000 1.227 303 L CB -0.920 41.088 42.059 -0.084 0.000 1.428 303 L HN 0.942 nan 8.230 nan 0.000 0.425 304 G N 0.148 108.554 108.800 -0.656 0.000 2.393 304 G HA2 0.468 4.428 3.960 0.000 0.000 0.264 304 G HA3 0.468 4.428 3.960 0.000 0.000 0.264 304 G C -0.963 173.839 174.900 -0.163 0.000 1.221 304 G CA 0.093 44.967 45.100 -0.376 0.000 0.912 304 G HN 0.411 nan 8.290 nan 0.000 0.483 305 T N -3.163 111.450 114.554 0.098 0.000 2.864 305 T HA 0.839 5.190 4.350 0.000 0.000 0.299 305 T C 0.577 175.317 174.700 0.066 0.000 1.166 305 T CA 0.525 62.707 62.100 0.137 0.000 1.007 305 T CB 1.419 70.410 68.868 0.206 0.000 1.219 305 T HN 2.779 nan 8.240 nan 0.000 0.506 306 G N 1.002 109.790 108.800 -0.020 0.000 2.855 306 G HA2 -0.002 3.958 3.960 0.000 0.000 0.352 306 G HA3 -0.002 3.958 3.960 0.000 0.000 0.352 306 G C -0.566 174.243 174.900 -0.152 0.000 1.415 306 G CA -0.172 44.853 45.100 -0.123 0.000 0.871 306 G HN 1.217 nan 8.290 nan 0.000 0.543 307 D N 1.122 121.406 120.400 -0.194 0.000 2.426 307 D HA 0.200 4.840 4.640 0.000 0.000 0.261 307 D C -0.088 176.015 176.300 -0.329 0.000 1.245 307 D CA -1.032 52.862 54.000 -0.176 0.000 0.917 307 D CB 0.961 41.692 40.800 -0.115 0.000 1.123 307 D HN 0.152 nan 8.370 nan 0.000 0.508 308 P HA -0.116 nan 4.420 nan 0.000 0.239 308 P C 0.253 177.041 177.300 -0.855 0.000 1.184 308 P CA 0.762 63.307 63.100 -0.925 0.000 0.760 308 P CB -0.119 30.627 31.700 -1.590 0.000 0.884 309 Y N -0.117 120.042 120.300 -0.235 0.000 2.467 309 Y HA 0.147 4.697 4.550 0.000 0.000 0.250 309 Y C 1.096 176.908 175.900 -0.146 0.000 1.155 309 Y CA 0.328 58.357 58.100 -0.118 0.000 1.249 309 Y CB 0.151 38.600 38.460 -0.019 0.000 1.146 309 Y HN -0.022 nan 8.280 nan 0.000 0.524 310 T N -1.779 112.580 114.554 -0.324 0.000 3.624 310 T HA 0.249 4.599 4.350 0.000 0.000 0.244 310 T C -3.002 171.066 174.700 -1.054 0.000 1.063 310 T CA -1.918 59.588 62.100 -0.991 0.000 1.252 310 T CB 0.248 68.582 68.868 -0.890 0.000 1.021 310 T HN -0.149 nan 8.240 nan 0.000 0.590 311 P HA 0.234 nan 4.420 nan 0.000 0.262 311 P C 1.135 178.242 177.300 -0.321 0.000 1.199 311 P CA 0.951 63.814 63.100 -0.396 0.000 0.763 311 P CB 0.407 31.964 31.700 -0.238 0.000 0.790 312 G N 2.796 111.397 108.800 -0.331 0.000 2.155 312 G HA2 -0.236 3.724 3.960 0.000 0.000 0.257 312 G HA3 -0.236 3.724 3.960 0.000 0.000 0.257 312 G C -0.216 174.668 174.900 -0.026 0.000 0.983 312 G CA 0.439 45.419 45.100 -0.201 0.000 0.676 312 G HN 0.730 nan 8.290 nan 0.000 0.528 313 F N -2.077 117.780 119.950 -0.155 0.000 2.713 313 F HA 0.821 5.348 4.527 0.000 0.000 0.311 313 F C -2.948 172.755 175.800 -0.161 0.000 1.141 313 F CA -2.803 55.123 58.000 -0.123 0.000 0.939 313 F CB 0.956 39.906 39.000 -0.084 0.000 1.325 313 F HN -0.014 nan 8.300 nan 0.000 0.453 314 P HA 0.158 nan 4.420 nan 0.000 0.279 314 P C -0.707 176.522 177.300 -0.118 0.000 1.239 314 P CA -0.187 62.815 63.100 -0.164 0.000 0.789 314 P CB 1.550 33.123 31.700 -0.212 0.000 0.933 315 S N 3.290 118.821 115.700 -0.282 0.000 3.919 315 S HA 0.302 4.772 4.470 0.000 0.000 0.245 315 S C -0.323 174.368 174.600 0.152 0.000 1.344 315 S CA -0.056 58.157 58.200 0.021 0.000 0.896 315 S CB -1.375 61.889 63.200 0.107 0.000 1.557 315 S HN 0.348 nan 8.310 nan 0.000 0.468 316 F N 0.788 120.813 119.950 0.125 0.000 2.551 316 F HA 0.309 4.836 4.527 0.000 0.000 0.316 316 F C 1.149 176.938 175.800 -0.019 0.000 1.089 316 F CA -1.357 56.754 58.000 0.185 0.000 0.915 316 F CB 1.637 40.709 39.000 0.121 0.000 1.186 316 F HN 0.154 nan 8.300 nan 0.000 0.456 317 N N 0.273 119.271 118.700 0.498 0.000 2.272 317 N HA -0.183 4.557 4.740 0.000 0.000 0.185 317 N C 1.412 177.007 175.510 0.142 0.000 1.014 317 N CA 1.036 54.280 53.050 0.323 0.000 0.870 317 N CB -0.258 38.440 38.487 0.353 0.000 0.975 317 N HN 0.550 nan 8.380 nan 0.000 0.433 318 H N -1.184 117.920 119.070 0.056 0.000 2.457 318 H HA -0.076 4.480 4.556 0.000 0.000 0.297 318 H C 1.552 176.851 175.328 -0.048 0.000 1.092 318 H CA 1.164 57.217 56.048 0.008 0.000 1.309 318 H CB -0.026 29.738 29.762 0.005 0.000 1.382 318 H HN 0.218 nan 8.280 nan 0.000 0.535 319 T N 0.123 114.690 114.554 0.021 0.000 2.951 319 T HA -0.110 4.240 4.350 0.000 0.000 0.268 319 T C 0.871 175.479 174.700 -0.154 0.000 1.073 319 T CA 0.508 62.525 62.100 -0.140 0.000 1.134 319 T CB 0.011 68.766 68.868 -0.188 0.000 0.884 319 T HN 0.463 nan 8.240 nan 0.000 0.479 320 Q N -0.442 119.284 119.800 -0.123 0.000 2.481 320 Q HA -0.181 4.159 4.340 0.000 0.000 0.272 320 Q C -0.680 175.445 176.000 0.209 0.000 1.157 320 Q CA 0.068 55.925 55.803 0.090 0.000 0.935 320 Q CB -2.335 26.438 28.738 0.058 0.000 1.338 320 Q HN 0.633 nan 8.270 nan 0.000 0.494 321 F N -0.664 119.379 119.950 0.156 0.000 2.350 321 F HA -0.227 4.300 4.527 0.000 0.000 0.155 321 F C -0.876 175.019 175.800 0.158 0.000 1.043 321 F CA 0.614 58.735 58.000 0.201 0.000 0.794 321 F CB -1.217 37.885 39.000 0.170 0.000 0.678 321 F HN 0.169 nan 8.300 nan 0.000 0.816 322 P HA 0.057 nan 4.420 nan 0.000 0.270 322 P C -2.271 175.159 177.300 0.218 0.000 1.223 322 P CA -1.078 62.112 63.100 0.149 0.000 0.785 322 P CB 0.208 31.920 31.700 0.020 0.000 0.923 323 P HA 0.109 nan 4.420 nan 0.000 0.268 323 P C -0.498 176.903 177.300 0.167 0.000 1.282 323 P CA 0.378 63.573 63.100 0.157 0.000 0.880 323 P CB 0.188 31.951 31.700 0.105 0.000 0.971 324 S N 2.978 118.808 115.700 0.216 0.000 2.575 324 S HA 0.486 4.956 4.470 0.000 0.000 0.278 324 S C -0.813 173.859 174.600 0.119 0.000 1.139 324 S CA -0.729 57.578 58.200 0.179 0.000 0.954 324 S CB 1.537 64.912 63.200 0.292 0.000 1.054 324 S HN 0.437 nan 8.310 nan 0.000 0.483 325 R N 2.333 122.855 120.500 0.035 0.000 2.439 325 R HA 0.441 4.781 4.340 0.000 0.000 0.310 325 R C -0.421 175.790 176.300 -0.147 0.000 0.955 325 R CA -0.320 55.733 56.100 -0.079 0.000 0.853 325 R CB 1.428 31.732 30.300 0.007 0.000 1.171 325 R HN 0.620 nan 8.270 nan 0.000 0.449 326 S N 2.001 117.528 115.700 -0.288 0.000 2.546 326 S HA -0.065 4.405 4.470 0.000 0.000 0.290 326 S C 1.263 175.802 174.600 -0.103 0.000 1.290 326 S CA 0.306 58.385 58.200 -0.201 0.000 1.069 326 S CB 0.619 63.656 63.200 -0.272 0.000 0.846 326 S HN 0.748 nan 8.310 nan 0.000 0.495 327 S N 3.449 119.119 115.700 -0.049 0.000 2.603 327 S HA 0.080 4.550 4.470 0.000 0.000 0.229 327 S C 1.423 176.026 174.600 0.005 0.000 0.972 327 S CA 0.419 58.606 58.200 -0.021 0.000 0.935 327 S CB -0.305 62.885 63.200 -0.016 0.000 0.769 327 S HN 0.891 nan 8.310 nan 0.000 0.536 328 G N 0.652 109.478 108.800 0.043 0.000 3.088 328 G HA2 0.362 4.322 3.960 0.000 0.000 0.217 328 G HA3 0.362 4.322 3.960 0.000 0.000 0.217 328 G C 0.173 175.166 174.900 0.157 0.000 1.159 328 G CA -0.478 44.667 45.100 0.075 0.000 0.760 328 G HN 0.484 nan 8.290 nan 0.000 0.550 329 L N 2.776 124.048 121.223 0.081 0.000 2.319 329 L HA 0.289 4.629 4.340 0.000 0.000 0.280 329 L C -1.589 175.320 176.870 0.065 0.000 1.099 329 L CA -1.806 53.069 54.840 0.058 0.000 0.828 329 L CB 1.326 43.343 42.059 -0.071 0.000 1.150 329 L HN 0.016 nan 8.230 nan 0.000 0.442 330 P HA 0.062 nan 4.420 nan 0.000 0.272 330 P C -0.849 176.488 177.300 0.062 0.000 1.223 330 P CA -0.335 62.805 63.100 0.067 0.000 0.784 330 P CB 0.888 32.635 31.700 0.077 0.000 0.923 331 N N 1.016 119.740 118.700 0.041 0.000 2.275 331 N HA 0.203 4.943 4.740 0.000 0.000 0.236 331 N C 0.276 175.805 175.510 0.032 0.000 1.154 331 N CA 0.054 53.127 53.050 0.039 0.000 0.866 331 N CB 0.454 38.957 38.487 0.027 0.000 1.093 331 N HN 0.521 nan 8.380 nan 0.000 0.515 332 I N -2.882 117.707 120.570 0.032 0.000 2.934 332 I HA 0.662 4.832 4.170 0.000 0.000 0.306 332 I C -2.903 173.231 176.117 0.027 0.000 1.110 332 I CA -2.511 58.803 61.300 0.023 0.000 1.019 332 I CB 2.774 40.780 38.000 0.009 0.000 1.227 332 I HN -0.308 nan 8.210 nan 0.000 0.434 333 P HA 0.253 nan 4.420 nan 0.000 0.274 333 P C -0.946 176.352 177.300 -0.003 0.000 1.231 333 P CA -0.161 62.949 63.100 0.017 0.000 0.790 333 P CB 1.730 33.437 31.700 0.012 0.000 0.951 334 V N 1.750 121.657 119.914 -0.013 0.000 2.668 334 V HA 0.441 4.561 4.120 0.000 0.000 0.304 334 V C -0.306 175.736 176.094 -0.086 0.000 1.071 334 V CA -0.506 61.756 62.300 -0.063 0.000 0.894 334 V CB 1.562 33.339 31.823 -0.077 0.000 1.008 334 V HN 0.540 nan 8.190 nan 0.000 0.425 335 Q N 1.616 121.339 119.800 -0.127 0.000 2.423 335 Q HA 0.675 5.015 4.340 0.000 0.000 0.278 335 Q C -0.815 175.048 176.000 -0.229 0.000 1.097 335 Q CA -0.230 55.493 55.803 -0.134 0.000 0.809 335 Q CB 2.560 31.258 28.738 -0.066 0.000 1.391 335 Q HN 0.774 nan 8.270 nan 0.000 0.428 336 T N 3.133 117.532 114.554 -0.259 0.000 2.829 336 T HA 0.748 5.098 4.350 0.000 0.000 0.282 336 T C -0.590 174.067 174.700 -0.072 0.000 0.990 336 T CA -0.453 61.428 62.100 -0.365 0.000 1.028 336 T CB 0.094 68.539 68.868 -0.705 0.000 0.951 336 T HN 0.490 nan 8.240 nan 0.000 0.460 337 I N 0.687 121.316 120.570 0.099 0.000 2.769 337 I HA 0.718 4.888 4.170 0.000 0.000 0.298 337 I C 0.299 176.562 176.117 0.243 0.000 1.128 337 I CA -1.103 60.275 61.300 0.131 0.000 1.031 337 I CB 2.233 40.248 38.000 0.026 0.000 1.235 337 I HN 0.599 nan 8.210 nan 0.000 0.423 338 S N 4.209 120.006 115.700 0.161 0.000 2.596 338 S HA 0.224 4.694 4.470 0.000 0.000 0.260 338 S C 1.029 175.685 174.600 0.092 0.000 1.336 338 S CA -0.332 57.946 58.200 0.131 0.000 0.993 338 S CB 1.266 64.525 63.200 0.098 0.000 0.923 338 S HN 0.938 nan 8.310 nan 0.000 0.567 339 R N 0.603 121.157 120.500 0.089 0.000 2.075 339 R HA -0.093 4.247 4.340 0.000 0.000 0.232 339 R C 2.450 178.775 176.300 0.041 0.000 1.126 339 R CA 1.381 57.552 56.100 0.119 0.000 0.963 339 R CB -1.228 29.156 30.300 0.139 0.000 0.858 339 R HN 0.859 nan 8.270 nan 0.000 0.435 340 A N 1.073 123.918 122.820 0.041 0.000 1.873 340 A HA -0.225 4.095 4.320 0.000 0.000 0.218 340 A C 2.396 179.964 177.584 -0.027 0.000 1.193 340 A CA 2.183 54.234 52.037 0.024 0.000 0.629 340 A CB -0.973 18.049 19.000 0.036 0.000 0.826 340 A HN 0.541 nan 8.150 nan 0.000 0.447 341 A N -0.371 122.425 122.820 -0.041 0.000 1.908 341 A HA 0.095 4.415 4.320 0.000 0.000 0.218 341 A C 2.546 179.981 177.584 -0.250 0.000 1.181 341 A CA 2.474 54.457 52.037 -0.091 0.000 0.627 341 A CB -1.148 17.819 19.000 -0.055 0.000 0.818 341 A HN 1.227 nan 8.150 nan 0.000 0.445 342 A N -0.151 122.451 122.820 -0.362 0.000 1.883 342 A HA -0.222 4.098 4.320 0.000 0.000 0.217 342 A C 1.927 178.892 177.584 -1.032 0.000 1.186 342 A CA 1.768 53.287 52.037 -0.864 0.000 0.624 342 A CB -0.615 17.748 19.000 -1.061 0.000 0.822 342 A HN 0.664 nan 8.150 nan 0.000 0.444 343 E N -0.337 119.657 120.200 -0.344 0.000 2.110 343 E HA -0.184 4.166 4.350 0.000 0.000 0.193 343 E C 2.059 178.635 176.600 -0.041 0.000 0.988 343 E CA 1.194 57.603 56.400 0.014 0.000 0.804 343 E CB -0.168 29.606 29.700 0.124 0.000 0.745 343 E HN 0.562 nan 8.360 nan 0.000 0.458 344 K N 0.377 120.725 120.400 -0.086 0.000 2.097 344 K HA -0.119 4.201 4.320 0.000 0.000 0.206 344 K C 2.027 178.574 176.600 -0.088 0.000 1.049 344 K CA 0.707 56.989 56.287 -0.009 0.000 0.933 344 K CB 0.029 32.553 32.500 0.041 0.000 0.717 344 K HN 0.079 nan 8.250 nan 0.000 0.442 345 L N -0.068 120.999 121.223 -0.260 0.000 2.141 345 L HA -0.091 4.249 4.340 0.000 0.000 0.209 345 L C 1.961 178.734 176.870 -0.162 0.000 1.094 345 L CA 1.571 56.241 54.840 -0.284 0.000 0.763 345 L CB -0.966 40.848 42.059 -0.408 0.000 0.908 345 L HN 0.177 nan 8.230 nan 0.000 0.437 346 F N -0.224 119.682 119.950 -0.074 0.000 2.365 346 F HA -0.074 4.453 4.527 0.000 0.000 0.300 346 F C 2.284 178.055 175.800 -0.049 0.000 1.090 346 F CA 0.415 58.380 58.000 -0.057 0.000 1.408 346 F CB -0.334 38.634 39.000 -0.054 0.000 1.060 346 F HN 0.184 nan 8.300 nan 0.000 0.534 347 G N -0.485 108.384 108.800 0.116 0.000 2.848 347 G HA2 -0.130 3.831 3.960 0.000 0.000 0.208 347 G HA3 -0.130 3.831 3.960 0.000 0.000 0.208 347 G C 0.809 175.710 174.900 0.002 0.000 1.152 347 G CA 0.198 45.341 45.100 0.071 0.000 0.789 347 G HN 0.354 nan 8.290 nan 0.000 0.531 348 N N -0.285 118.388 118.700 -0.045 0.000 2.299 348 N HA 0.272 5.012 4.740 0.000 0.000 0.246 348 N C -0.300 175.186 175.510 -0.041 0.000 1.254 348 N CA -0.019 52.970 53.050 -0.102 0.000 0.879 348 N CB 0.753 39.086 38.487 -0.257 0.000 1.214 348 N HN 0.246 nan 8.380 nan 0.000 0.510 349 M N 0.564 120.175 119.600 0.019 0.000 2.690 349 M HA 0.387 4.867 4.480 0.000 0.000 0.302 349 M C -0.843 175.463 176.300 0.009 0.000 1.234 349 M CA -0.465 54.857 55.300 0.037 0.000 0.853 349 M CB 2.530 35.203 32.600 0.122 0.000 1.748 349 M HN -0.084 nan 8.290 nan 0.000 0.469 350 E N -0.261 119.932 120.200 -0.012 0.000 2.410 350 E HA 0.759 5.109 4.350 0.000 0.000 0.269 350 E C -0.714 175.838 176.600 -0.080 0.000 0.937 350 E CA -1.130 55.243 56.400 -0.045 0.000 0.793 350 E CB 2.171 31.846 29.700 -0.041 0.000 1.314 350 E HN 0.917 nan 8.360 nan 0.000 0.447 351 G N 2.071 110.803 108.800 -0.113 0.000 3.391 351 G HA2 -0.140 3.820 3.960 0.000 0.000 0.683 351 G HA3 -0.140 3.820 3.960 0.000 0.000 0.683 351 G C -0.944 173.825 174.900 -0.219 0.000 1.071 351 G CA -0.790 44.209 45.100 -0.169 0.000 0.904 351 G HN 0.477 nan 8.290 nan 0.000 0.452 352 D N 0.622 120.886 120.400 -0.226 0.000 2.493 352 D HA 0.151 4.792 4.640 0.000 0.000 0.240 352 D C 1.185 177.266 176.300 -0.365 0.000 1.142 352 D CA 0.413 54.258 54.000 -0.258 0.000 0.872 352 D CB 1.032 41.704 40.800 -0.214 0.000 1.173 352 D HN 0.505 nan 8.370 nan 0.000 0.467 353 c N 4.301 122.653 118.600 -0.413 0.000 2.634 353 c HA 0.084 4.654 4.570 0.000 0.000 0.418 353 c C -1.823 171.893 174.090 -0.623 0.000 1.373 353 c CA -1.172 54.801 56.329 -0.593 0.000 1.756 353 c CB -0.480 41.740 42.510 -0.484 0.000 2.589 353 c HN 0.426 nan 8.230 nan 0.000 0.602 354 P HA -0.016 nan 4.420 nan 0.000 0.260 354 P C 0.679 177.711 177.300 -0.446 0.000 1.172 354 P CA 0.582 63.234 63.100 -0.747 0.000 0.760 354 P CB 0.545 31.571 31.700 -1.123 0.000 0.773 355 S N 1.759 117.315 115.700 -0.240 0.000 2.419 355 S HA -0.222 4.248 4.470 0.000 0.000 0.233 355 S C 1.675 176.258 174.600 -0.027 0.000 1.016 355 S CA 1.293 59.427 58.200 -0.109 0.000 0.974 355 S CB -0.723 62.430 63.200 -0.079 0.000 0.786 355 S HN 0.452 nan 8.310 nan 0.000 0.492 356 D N 0.760 121.143 120.400 -0.028 0.000 2.158 356 D HA -0.140 4.500 4.640 0.000 0.000 0.197 356 D C 1.109 177.569 176.300 0.268 0.000 0.995 356 D CA 1.141 55.202 54.000 0.102 0.000 0.846 356 D CB -0.303 40.568 40.800 0.119 0.000 0.941 356 D HN 0.584 nan 8.370 nan 0.000 0.456 357 W N 0.838 122.128 121.300 -0.015 0.000 2.525 357 W HA 0.032 4.692 4.660 0.000 0.000 0.259 357 W C 1.025 177.533 176.519 -0.018 0.000 1.253 357 W CA 0.090 57.416 57.345 -0.032 0.000 1.262 357 W CB -0.870 28.530 29.460 -0.100 0.000 1.122 357 W HN -0.013 nan 8.180 nan 0.000 0.607 358 K N 1.098 121.617 120.400 0.198 0.000 3.689 358 K HA -0.247 4.073 4.320 0.000 0.000 0.276 358 K C -0.319 176.351 176.600 0.116 0.000 0.932 358 K CA 1.278 57.637 56.287 0.120 0.000 0.758 358 K CB -1.325 31.241 32.500 0.110 0.000 1.500 358 K HN 0.135 nan 8.250 nan 0.000 0.448 359 T N 0.190 114.807 114.554 0.104 0.000 2.838 359 T HA 0.468 4.818 4.350 0.000 0.000 0.292 359 T C -1.043 173.687 174.700 0.051 0.000 1.113 359 T CA -0.499 61.656 62.100 0.091 0.000 1.008 359 T CB 0.915 69.853 68.868 0.117 0.000 1.259 359 T HN 0.252 nan 8.240 nan 0.000 0.520 360 D N 1.457 121.899 120.400 0.069 0.000 2.667 360 D HA 0.021 4.661 4.640 0.000 0.000 0.226 360 D C 1.223 177.503 176.300 -0.033 0.000 1.137 360 D CA 1.090 55.116 54.000 0.043 0.000 0.855 360 D CB 0.589 41.446 40.800 0.096 0.000 1.194 360 D HN 0.555 nan 8.370 nan 0.000 0.492 361 S N -0.131 115.552 115.700 -0.029 0.000 2.607 361 S HA -0.054 4.416 4.470 0.000 0.000 0.224 361 S C 1.355 175.898 174.600 -0.094 0.000 0.969 361 S CA 0.363 58.525 58.200 -0.063 0.000 0.927 361 S CB 0.119 63.298 63.200 -0.035 0.000 0.772 361 S HN 0.434 nan 8.310 nan 0.000 0.533 362 T N 1.755 116.247 114.554 -0.103 0.000 3.039 362 T HA 0.122 4.472 4.350 0.000 0.000 0.250 362 T C 1.349 175.798 174.700 -0.418 0.000 1.052 362 T CA 0.504 62.530 62.100 -0.124 0.000 1.125 362 T CB -0.586 68.306 68.868 0.039 0.000 0.908 362 T HN 0.834 nan 8.240 nan 0.000 0.473 363 c N 2.792 120.952 118.600 -0.734 0.000 2.700 363 c HA 0.733 5.303 4.570 0.000 0.000 0.397 363 c C 0.198 173.805 174.090 -0.805 0.000 1.301 363 c CA -1.301 54.137 56.329 -1.486 0.000 2.219 363 c CB -0.319 41.408 42.510 -1.305 0.000 2.699 363 c HN 0.427 nan 8.230 nan 0.000 0.669 364 R N 2.620 122.700 120.500 -0.700 0.000 2.680 364 R HA 0.594 4.934 4.340 0.000 0.000 0.269 364 R C -0.859 175.367 176.300 -0.124 0.000 1.026 364 R CA -0.747 55.161 56.100 -0.320 0.000 0.889 364 R CB 1.590 31.789 30.300 -0.169 0.000 1.241 364 R HN 0.844 nan 8.270 nan 0.000 0.463 365 M N 0.768 120.316 119.600 -0.087 0.000 2.363 365 M HA 0.518 4.998 4.480 0.000 0.000 0.343 365 M C -0.239 176.108 176.300 0.078 0.000 1.165 365 M CA -0.935 54.417 55.300 0.087 0.000 1.046 365 M CB 1.204 33.854 32.600 0.083 0.000 1.648 365 M HN 0.397 nan 8.290 nan 0.000 0.452 366 V N 0.088 120.080 119.914 0.130 0.000 3.478 366 V HA -0.175 3.945 4.120 0.000 0.000 0.498 366 V C 0.471 176.598 176.094 0.054 0.000 0.682 366 V CA 0.705 63.054 62.300 0.082 0.000 2.047 366 V CB -1.536 30.318 31.823 0.051 0.000 2.481 366 V HN 1.239 nan 8.190 nan 0.000 0.507 367 T N 2.263 116.840 114.554 0.038 0.000 2.849 367 T HA 0.594 4.944 4.350 0.000 0.000 0.284 367 T C 0.288 174.986 174.700 -0.003 0.000 1.004 367 T CA -0.064 62.041 62.100 0.008 0.000 1.021 367 T CB 1.450 70.311 68.868 -0.012 0.000 1.013 367 T HN 1.054 nan 8.240 nan 0.000 0.527 368 S N 1.105 116.794 115.700 -0.018 0.000 2.525 368 S HA 0.047 4.517 4.470 0.000 0.000 0.285 368 S C 1.453 176.045 174.600 -0.014 0.000 1.283 368 S CA -0.434 57.756 58.200 -0.018 0.000 1.072 368 S CB 0.569 63.754 63.200 -0.024 0.000 0.867 368 S HN 0.967 nan 8.310 nan 0.000 0.492 369 E N 3.183 123.378 120.200 -0.007 0.000 2.236 369 E HA -0.290 4.060 4.350 0.000 0.000 0.205 369 E C 1.844 178.441 176.600 -0.005 0.000 1.028 369 E CA 1.909 58.307 56.400 -0.003 0.000 0.827 369 E CB -0.111 29.588 29.700 -0.001 0.000 0.735 369 E HN 0.773 nan 8.360 nan 0.000 0.470 370 S N -0.751 114.944 115.700 -0.008 0.000 2.428 370 S HA -0.023 4.447 4.470 0.000 0.000 0.230 370 S C 0.687 175.279 174.600 -0.013 0.000 1.014 370 S CA 0.401 58.597 58.200 -0.007 0.000 0.957 370 S CB 0.084 63.282 63.200 -0.004 0.000 0.784 370 S HN 0.057 nan 8.310 nan 0.000 0.499 371 K N 1.881 122.265 120.400 -0.027 0.000 2.208 371 K HA 0.567 4.887 4.320 0.000 0.000 0.247 371 K C -1.061 175.515 176.600 -0.041 0.000 0.953 371 K CA -0.691 55.569 56.287 -0.045 0.000 0.837 371 K CB 1.243 33.690 32.500 -0.089 0.000 1.131 371 K HN 0.517 nan 8.250 nan 0.000 0.431 372 N N -1.531 117.144 118.700 -0.042 0.000 2.708 372 N HA 0.420 5.160 4.740 0.000 0.000 0.257 372 N C -1.182 174.305 175.510 -0.039 0.000 1.373 372 N CA -1.057 51.974 53.050 -0.032 0.000 0.843 372 N CB 1.158 39.637 38.487 -0.013 0.000 1.503 372 N HN 0.232 nan 8.380 nan 0.000 0.504 373 V N -2.615 117.278 119.914 -0.034 0.000 2.834 373 V HA 0.693 4.813 4.120 0.000 0.000 0.313 373 V C -0.236 175.848 176.094 -0.018 0.000 1.060 373 V CA -0.723 61.556 62.300 -0.035 0.000 0.989 373 V CB 1.537 33.331 31.823 -0.048 0.000 1.041 373 V HN 0.898 nan 8.190 nan 0.000 0.459 374 K N 2.890 123.282 120.400 -0.014 0.000 2.559 374 K HA 0.554 4.874 4.320 0.000 0.000 0.249 374 K C -1.487 175.110 176.600 -0.006 0.000 0.958 374 K CA -0.745 55.538 56.287 -0.005 0.000 0.901 374 K CB 1.602 34.103 32.500 0.001 0.000 1.124 374 K HN 0.822 nan 8.250 nan 0.000 0.437 375 L N 3.524 124.742 121.223 -0.008 0.000 2.312 375 L HA 0.475 4.815 4.340 0.000 0.000 0.281 375 L C -0.712 176.157 176.870 -0.002 0.000 1.070 375 L CA 0.552 55.387 54.840 -0.009 0.000 0.805 375 L CB 1.681 43.731 42.059 -0.014 0.000 1.174 375 L HN 0.636 nan 8.230 nan 0.000 0.434 376 T N 5.496 120.050 114.554 0.000 0.000 3.031 376 T HA 0.610 4.960 4.350 0.000 0.000 0.305 376 T C -1.279 173.424 174.700 0.005 0.000 0.985 376 T CA -0.217 61.886 62.100 0.004 0.000 1.008 376 T CB 0.601 69.473 68.868 0.006 0.000 1.005 376 T HN 0.857 nan 8.240 nan 0.000 0.444 377 V N 3.125 123.043 119.914 0.007 0.000 2.588 377 V HA 0.837 4.957 4.120 0.000 0.000 0.304 377 V C 0.311 176.407 176.094 0.005 0.000 1.042 377 V CA -0.144 62.161 62.300 0.007 0.000 0.877 377 V CB 1.751 33.583 31.823 0.015 0.000 0.996 377 V HN 0.936 nan 8.190 nan 0.000 0.425 378 S N 2.131 117.826 115.700 -0.007 0.000 2.602 378 S HA 0.289 4.759 4.470 0.000 0.000 0.240 378 S C 0.378 174.961 174.600 -0.028 0.000 0.992 378 S CA -0.476 57.717 58.200 -0.011 0.000 0.971 378 S CB -1.137 62.056 63.200 -0.012 0.000 0.855 378 S HN 0.884 nan 8.310 nan 0.000 0.481 379 N N 1.986 120.661 118.700 -0.041 0.000 2.151 379 N HA 0.172 4.912 4.740 0.000 0.000 0.265 379 N C -0.204 175.283 175.510 -0.039 0.000 1.254 379 N CA 0.440 53.443 53.050 -0.078 0.000 0.823 379 N CB 0.507 38.965 38.487 -0.048 0.000 1.061 379 N HN 0.422 nan 8.380 nan 0.000 0.472 380 V N 0.178 120.058 119.914 -0.058 0.000 2.769 380 V HA 0.497 4.617 4.120 0.000 0.000 0.312 380 V C 0.042 176.119 176.094 -0.029 0.000 1.061 380 V CA -1.180 61.100 62.300 -0.033 0.000 0.931 380 V CB 1.547 33.346 31.823 -0.039 0.000 1.010 380 V HN 0.426 nan 8.190 nan 0.000 0.433 381 L N 2.811 124.016 121.223 -0.030 0.000 2.461 381 L HA 0.483 4.823 4.340 0.000 0.000 0.272 381 L C 0.275 177.108 176.870 -0.062 0.000 1.197 381 L CA 0.121 54.932 54.840 -0.049 0.000 0.836 381 L CB 0.784 42.768 42.059 -0.125 0.000 1.105 381 L HN 0.848 nan 8.230 nan 0.000 0.477 382 K N 2.794 123.159 120.400 -0.058 0.000 2.565 382 K HA 0.232 4.552 4.320 0.000 0.000 0.249 382 K C -1.050 175.516 176.600 -0.057 0.000 0.958 382 K CA -0.623 55.633 56.287 -0.052 0.000 0.806 382 K CB 1.695 34.178 32.500 -0.028 0.000 1.194 382 K HN 0.559 nan 8.250 nan 0.000 0.434 383 E N 5.415 125.578 120.200 -0.062 0.000 2.289 383 E HA 0.279 4.629 4.350 0.000 0.000 0.278 383 E C -0.370 176.246 176.600 0.026 0.000 1.032 383 E CA -0.469 55.904 56.400 -0.044 0.000 0.854 383 E CB 0.608 30.246 29.700 -0.103 0.000 1.046 383 E HN 0.544 nan 8.360 nan 0.000 0.409 384 I N 0.175 120.791 120.570 0.076 0.000 3.174 384 I HA 0.534 4.704 4.170 0.000 0.000 0.313 384 I C -1.117 175.105 176.117 0.175 0.000 1.155 384 I CA -1.285 60.081 61.300 0.110 0.000 0.977 384 I CB 1.977 39.987 38.000 0.017 0.000 1.248 384 I HN 0.288 nan 8.210 nan 0.000 0.453 385 K N 3.168 123.626 120.400 0.096 0.000 2.265 385 K HA 0.625 4.945 4.320 0.000 0.000 0.267 385 K C -1.422 175.130 176.600 -0.080 0.000 0.994 385 K CA -0.543 55.662 56.287 -0.137 0.000 0.860 385 K CB 1.232 33.665 32.500 -0.112 0.000 1.099 385 K HN 0.647 nan 8.250 nan 0.000 0.448 386 I N 5.114 125.640 120.570 -0.075 0.000 2.498 386 I HA 0.325 4.495 4.170 0.000 0.000 0.301 386 I C -0.442 175.701 176.117 0.043 0.000 0.984 386 I CA -1.096 60.219 61.300 0.026 0.000 1.204 386 I CB 1.491 39.550 38.000 0.097 0.000 1.362 386 I HN 0.448 nan 8.210 nan 0.000 0.471 387 L N 5.537 126.793 121.223 0.056 0.000 2.372 387 L HA 0.423 4.763 4.340 0.000 0.000 0.274 387 L C -0.780 176.104 176.870 0.025 0.000 0.988 387 L CA -0.629 54.238 54.840 0.044 0.000 0.833 387 L CB 1.460 43.521 42.059 0.004 0.000 1.236 387 L HN 0.525 nan 8.230 nan 0.000 0.410 388 N N 3.973 122.695 118.700 0.038 0.000 2.437 388 N HA 0.431 5.171 4.740 0.000 0.000 0.259 388 N C -0.756 174.469 175.510 -0.475 0.000 0.983 388 N CA -0.410 52.522 53.050 -0.198 0.000 0.937 388 N CB 2.110 40.570 38.487 -0.046 0.000 1.122 388 N HN 0.335 nan 8.380 nan 0.000 0.499 389 I N 3.482 123.691 120.570 -0.603 0.000 2.331 389 I HA 0.359 4.529 4.170 0.000 0.000 0.292 389 I C -0.327 175.344 176.117 -0.743 0.000 0.998 389 I CA -0.214 60.775 61.300 -0.519 0.000 1.267 389 I CB 0.165 37.921 38.000 -0.408 0.000 1.386 389 I HN 0.275 nan 8.210 nan 0.000 0.476 390 F N 3.566 123.167 119.950 -0.583 0.000 2.556 390 F HA 0.856 5.383 4.527 0.000 0.000 0.327 390 F C 0.689 176.230 175.800 -0.430 0.000 1.059 390 F CA -0.921 56.588 58.000 -0.818 0.000 0.953 390 F CB 2.070 39.823 39.000 -2.078 0.000 1.227 390 F HN 0.424 nan 8.300 nan 0.000 0.478 391 G N 0.463 109.179 108.800 -0.140 0.000 2.753 391 G HA2 0.544 4.504 3.960 0.000 0.000 0.295 391 G HA3 0.544 4.504 3.960 0.000 0.000 0.295 391 G C -2.385 172.607 174.900 0.155 0.000 1.437 391 G CA -0.752 44.277 45.100 -0.119 0.000 1.094 391 G HN 0.678 nan 8.290 nan 0.000 0.540 392 V N 3.225 123.327 119.914 0.313 0.000 2.823 392 V HA 0.733 4.853 4.120 0.000 0.000 0.312 392 V C -0.827 175.368 176.094 0.169 0.000 1.072 392 V CA -1.115 61.346 62.300 0.268 0.000 0.937 392 V CB 1.851 33.818 31.823 0.239 0.000 1.013 392 V HN 0.624 nan 8.190 nan 0.000 0.430 393 I N 6.457 127.135 120.570 0.179 0.000 2.428 393 I HA 0.374 4.544 4.170 0.000 0.000 0.279 393 I C 0.300 176.454 176.117 0.062 0.000 1.040 393 I CA -0.572 60.812 61.300 0.140 0.000 1.171 393 I CB 1.062 39.213 38.000 0.251 0.000 1.312 393 I HN 0.563 nan 8.210 nan 0.000 0.470 394 K N 3.817 124.198 120.400 -0.031 0.000 2.527 394 K HA 0.125 4.445 4.320 0.000 0.000 0.278 394 K C 0.692 177.193 176.600 -0.165 0.000 0.981 394 K CA -0.057 56.170 56.287 -0.100 0.000 1.009 394 K CB 0.656 33.059 32.500 -0.163 0.000 0.895 394 K HN 0.702 nan 8.250 nan 0.000 0.493 395 G N 1.098 109.855 108.800 -0.072 0.000 2.572 395 G HA2 0.200 4.160 3.960 0.000 0.000 0.261 395 G HA3 0.200 4.160 3.960 0.000 0.000 0.261 395 G C -0.057 174.764 174.900 -0.133 0.000 1.197 395 G CA -0.571 44.528 45.100 -0.001 0.000 0.870 395 G HN 0.522 nan 8.290 nan 0.000 0.548 396 F N 0.084 120.028 119.950 -0.010 0.000 2.776 396 F HA 0.180 4.707 4.527 0.000 0.000 0.300 396 F C 1.885 177.686 175.800 0.002 0.000 1.116 396 F CA 0.160 58.154 58.000 -0.009 0.000 1.375 396 F CB 0.560 39.547 39.000 -0.022 0.000 1.109 396 F HN 0.205 nan 8.300 nan 0.000 0.585 397 V N -1.671 118.337 119.914 0.156 0.000 3.103 397 V HA 0.125 4.245 4.120 0.000 0.000 0.229 397 V C -0.057 176.053 176.094 0.027 0.000 1.304 397 V CA 0.006 62.360 62.300 0.089 0.000 1.298 397 V CB 0.465 32.340 31.823 0.087 0.000 1.093 397 V HN -0.033 nan 8.190 nan 0.000 0.489 398 E N 1.169 121.380 120.200 0.017 0.000 2.873 398 E HA 0.275 4.625 4.350 0.000 0.000 0.232 398 E C -2.353 174.255 176.600 0.014 0.000 1.123 398 E CA -1.541 54.824 56.400 -0.058 0.000 0.809 398 E CB 1.776 31.382 29.700 -0.157 0.000 1.366 398 E HN 0.336 nan 8.360 nan 0.000 0.400 399 P HA -0.153 nan 4.420 nan 0.000 0.225 399 P C 0.921 178.299 177.300 0.131 0.000 1.156 399 P CA 0.815 63.946 63.100 0.053 0.000 0.787 399 P CB 0.175 31.859 31.700 -0.027 0.000 0.802 400 D N -1.652 118.803 120.400 0.092 0.000 2.351 400 D HA -0.163 4.477 4.640 0.000 0.000 0.216 400 D C 0.283 176.883 176.300 0.500 0.000 0.968 400 D CA 0.828 54.946 54.000 0.196 0.000 0.899 400 D CB -0.932 39.909 40.800 0.067 0.000 0.907 400 D HN 0.312 nan 8.370 nan 0.000 0.514 401 H N -1.066 118.200 119.070 0.327 0.000 2.499 401 H HA 0.478 5.034 4.556 0.000 0.000 0.340 401 H C -0.791 174.879 175.328 0.571 0.000 1.148 401 H CA -1.060 55.189 56.048 0.335 0.000 1.215 401 H CB 1.443 31.311 29.762 0.178 0.000 1.529 401 H HN 0.048 nan 8.280 nan 0.000 0.510 402 Y N -1.355 119.242 120.300 0.496 0.000 2.713 402 Y HA 0.494 5.044 4.550 0.000 0.000 0.335 402 Y C -1.844 173.886 175.900 -0.283 0.000 1.222 402 Y CA -1.253 56.985 58.100 0.231 0.000 1.061 402 Y CB 0.377 38.937 38.460 0.168 0.000 1.314 402 Y HN 0.253 nan 8.280 nan 0.000 0.453 403 V N 1.872 121.689 119.914 -0.162 0.000 2.732 403 V HA 0.701 4.821 4.120 0.000 0.000 0.310 403 V C -0.631 175.426 176.094 -0.062 0.000 1.053 403 V CA -0.901 61.166 62.300 -0.387 0.000 0.957 403 V CB 1.679 33.301 31.823 -0.334 0.000 1.018 403 V HN 0.665 nan 8.190 nan 0.000 0.452 404 V N 3.805 123.685 119.914 -0.057 0.000 2.487 404 V HA 0.542 4.662 4.120 0.000 0.000 0.298 404 V C -0.517 175.455 176.094 -0.204 0.000 1.028 404 V CA -0.564 61.777 62.300 0.068 0.000 0.860 404 V CB 1.916 34.023 31.823 0.474 0.000 0.991 404 V HN 0.575 nan 8.190 nan 0.000 0.427 405 V N 3.568 123.292 119.914 -0.317 0.000 2.487 405 V HA 0.959 5.079 4.120 0.000 0.000 0.298 405 V C 0.489 176.443 176.094 -0.234 0.000 1.028 405 V CA 0.003 62.063 62.300 -0.400 0.000 0.860 405 V CB 1.632 33.187 31.823 -0.446 0.000 0.991 405 V HN 1.047 nan 8.190 nan 0.000 0.427 406 G N 2.644 111.348 108.800 -0.161 0.000 2.708 406 G HA2 0.924 4.884 3.960 0.000 0.000 0.289 406 G HA3 0.924 4.884 3.960 0.000 0.000 0.289 406 G C -1.399 173.576 174.900 0.125 0.000 1.416 406 G CA -0.218 44.885 45.100 0.005 0.000 0.829 406 G HN 1.202 nan 8.290 nan 0.000 0.480 407 A N -0.348 122.526 122.820 0.090 0.000 2.589 407 A HA 0.709 5.029 4.320 0.000 0.000 0.296 407 A C -0.583 177.130 177.584 0.215 0.000 1.062 407 A CA -0.539 51.599 52.037 0.170 0.000 0.686 407 A CB 1.695 20.748 19.000 0.088 0.000 1.282 407 A HN 0.831 nan 8.150 nan 0.000 0.404 408 Q N 1.242 121.199 119.800 0.261 0.000 2.332 408 Q HA 0.295 4.635 4.340 0.000 0.000 0.263 408 Q C 0.579 176.664 176.000 0.142 0.000 0.979 408 Q CA -0.146 55.806 55.803 0.248 0.000 0.885 408 Q CB 0.715 29.584 28.738 0.217 0.000 1.218 408 Q HN 0.776 nan 8.270 nan 0.000 0.405 409 R N 2.637 123.210 120.500 0.122 0.000 2.221 409 R HA 0.016 4.356 4.340 0.000 0.000 0.195 409 R C -0.030 176.317 176.300 0.078 0.000 0.956 409 R CA 0.461 56.596 56.100 0.059 0.000 1.064 409 R CB 0.339 30.644 30.300 0.007 0.000 1.049 409 R HN 0.867 nan 8.270 nan 0.000 0.534 410 D N 0.334 120.806 120.400 0.121 0.000 2.360 410 D HA 0.318 4.958 4.640 0.000 0.000 0.242 410 D C -0.793 175.592 176.300 0.141 0.000 1.184 410 D CA -0.076 54.006 54.000 0.136 0.000 0.930 410 D CB 1.580 42.492 40.800 0.188 0.000 1.161 410 D HN 0.177 nan 8.370 nan 0.000 0.447 411 A N 0.061 122.960 122.820 0.131 0.000 2.594 411 A HA 0.269 4.589 4.320 0.000 0.000 0.296 411 A C -0.470 177.178 177.584 0.106 0.000 1.056 411 A CA -0.861 51.256 52.037 0.133 0.000 0.693 411 A CB 0.469 19.541 19.000 0.119 0.000 1.278 411 A HN 0.720 nan 8.150 nan 0.000 0.408 412 W N 2.446 123.676 121.300 -0.117 0.000 2.407 412 W HA 0.259 4.919 4.660 0.000 0.000 0.305 412 W C 1.231 177.702 176.519 -0.081 0.000 1.196 412 W CA 2.678 59.869 57.345 -0.256 0.000 1.311 412 W CB -0.141 29.029 29.460 -0.484 0.000 1.135 412 W HN 0.919 nan 8.180 nan 0.000 0.514 413 G N -0.848 107.911 108.800 -0.067 0.000 3.365 413 G HA2 0.173 4.133 3.960 0.000 0.000 0.185 413 G HA3 0.173 4.133 3.960 0.000 0.000 0.185 413 G C -1.850 173.011 174.900 -0.066 0.000 1.565 413 G CA 0.123 45.089 45.100 -0.222 0.000 0.984 413 G HN -0.105 nan 8.290 nan 0.000 0.604 414 P HA 0.110 nan 4.420 nan 0.000 0.221 414 P C 1.142 178.496 177.300 0.089 0.000 1.155 414 P CA 1.452 64.578 63.100 0.043 0.000 0.812 414 P CB 0.171 31.907 31.700 0.059 0.000 0.801 415 G N -0.226 108.650 108.800 0.127 0.000 2.341 415 G HA2 -0.298 3.663 3.960 0.000 0.000 0.292 415 G HA3 -0.298 3.663 3.960 0.000 0.000 0.292 415 G C 1.115 176.098 174.900 0.138 0.000 1.021 415 G CA 0.392 45.582 45.100 0.150 0.000 0.905 415 G HN 0.458 nan 8.290 nan 0.000 0.508 416 A N 0.014 122.926 122.820 0.153 0.000 1.849 416 A HA 0.180 4.500 4.320 0.000 0.000 0.217 416 A C 2.857 180.507 177.584 0.109 0.000 1.202 416 A CA 3.002 55.129 52.037 0.150 0.000 0.629 416 A CB -1.008 18.105 19.000 0.189 0.000 0.834 416 A HN 1.818 nan 8.150 nan 0.000 0.447 417 A N -1.083 121.792 122.820 0.091 0.000 1.897 417 A HA -0.079 4.241 4.320 0.000 0.000 0.215 417 A C 2.167 179.757 177.584 0.011 0.000 1.181 417 A CA 1.810 53.827 52.037 -0.034 0.000 0.620 417 A CB -0.395 18.442 19.000 -0.273 0.000 0.821 417 A HN 0.526 nan 8.150 nan 0.000 0.443 418 K N -1.089 119.365 120.400 0.089 0.000 2.155 418 K HA -0.049 4.271 4.320 0.000 0.000 0.203 418 K C 1.916 178.571 176.600 0.093 0.000 1.052 418 K CA 1.517 57.864 56.287 0.100 0.000 0.948 418 K CB -0.020 32.571 32.500 0.152 0.000 0.728 418 K HN 0.449 nan 8.250 nan 0.000 0.448 419 S N -1.803 113.954 115.700 0.094 0.000 3.056 419 S HA 0.140 4.610 4.470 0.000 0.000 0.255 419 S C 1.663 176.304 174.600 0.067 0.000 1.079 419 S CA 0.392 58.644 58.200 0.086 0.000 0.810 419 S CB 0.003 63.259 63.200 0.093 0.000 0.810 419 S HN 0.428 nan 8.310 nan 0.000 0.477 420 G N 2.190 111.032 108.800 0.070 0.000 2.587 420 G HA2 -0.182 3.778 3.960 0.000 0.000 0.217 420 G HA3 -0.182 3.778 3.960 0.000 0.000 0.217 420 G C 1.439 176.385 174.900 0.076 0.000 1.240 420 G CA 1.537 46.677 45.100 0.067 0.000 0.794 420 G HN 0.420 nan 8.290 nan 0.000 0.580 421 V N 1.847 121.807 119.914 0.077 0.000 2.278 421 V HA -0.197 3.923 4.120 0.000 0.000 0.251 421 V C 3.154 179.291 176.094 0.072 0.000 1.062 421 V CA 2.371 64.715 62.300 0.073 0.000 1.038 421 V CB -1.346 30.494 31.823 0.029 0.000 0.646 421 V HN 0.506 nan 8.190 nan 0.000 0.447 422 G N -0.692 108.141 108.800 0.054 0.000 2.480 422 G HA2 -0.282 3.678 3.960 0.000 0.000 0.216 422 G HA3 -0.282 3.678 3.960 0.000 0.000 0.216 422 G C 1.680 176.631 174.900 0.085 0.000 1.200 422 G CA 1.614 46.749 45.100 0.058 0.000 0.782 422 G HN 0.460 nan 8.290 nan 0.000 0.554 423 T N 1.603 116.201 114.554 0.073 0.000 2.803 423 T HA -0.009 4.341 4.350 0.000 0.000 0.269 423 T C 2.750 177.514 174.700 0.106 0.000 1.052 423 T CA 1.570 63.709 62.100 0.064 0.000 1.136 423 T CB -0.353 68.523 68.868 0.014 0.000 0.864 423 T HN 0.408 nan 8.240 nan 0.000 0.467 424 A N 1.289 124.182 122.820 0.122 0.000 1.877 424 A HA 0.010 4.330 4.320 0.000 0.000 0.216 424 A C 2.301 180.034 177.584 0.250 0.000 1.186 424 A CA 1.165 53.308 52.037 0.177 0.000 0.620 424 A CB -0.850 18.265 19.000 0.190 0.000 0.822 424 A HN 0.472 nan 8.150 nan 0.000 0.443 425 L N -1.129 120.233 121.223 0.232 0.000 2.042 425 L HA -0.209 4.132 4.340 0.000 0.000 0.210 425 L C 2.617 179.658 176.870 0.285 0.000 1.076 425 L CA 1.414 56.413 54.840 0.265 0.000 0.749 425 L CB -0.580 41.579 42.059 0.167 0.000 0.893 425 L HN 0.480 nan 8.230 nan 0.000 0.432 426 L N -0.214 121.156 121.223 0.245 0.000 2.012 426 L HA -0.227 4.113 4.340 0.000 0.000 0.210 426 L C 2.391 179.470 176.870 0.349 0.000 1.073 426 L CA 1.676 56.699 54.840 0.304 0.000 0.748 426 L CB -0.318 41.882 42.059 0.235 0.000 0.891 426 L HN 0.082 nan 8.230 nan 0.000 0.431 427 L N -0.755 120.651 121.223 0.304 0.000 1.989 427 L HA -0.238 4.102 4.340 0.000 0.000 0.211 427 L C 2.722 179.777 176.870 0.309 0.000 1.071 427 L CA 1.260 56.324 54.840 0.372 0.000 0.749 427 L CB -0.767 41.462 42.059 0.282 0.000 0.890 427 L HN 0.206 nan 8.230 nan 0.000 0.431 428 K N 0.290 120.820 120.400 0.216 0.000 1.991 428 K HA -0.146 4.174 4.320 0.000 0.000 0.212 428 K C 2.125 178.782 176.600 0.094 0.000 1.049 428 K CA 1.435 57.775 56.287 0.088 0.000 0.932 428 K CB -0.896 31.700 32.500 0.159 0.000 0.717 428 K HN 0.235 nan 8.250 nan 0.000 0.441 429 L N 0.784 122.171 121.223 0.274 0.000 2.021 429 L HA -0.248 4.093 4.340 0.000 0.000 0.215 429 L C 2.543 179.605 176.870 0.319 0.000 1.074 429 L CA 1.655 56.753 54.840 0.430 0.000 0.760 429 L CB -0.666 41.743 42.059 0.583 0.000 0.889 429 L HN 0.172 nan 8.230 nan 0.000 0.433 430 A N -1.064 121.679 122.820 -0.128 0.000 1.972 430 A HA -0.269 4.051 4.320 0.000 0.000 0.219 430 A C 2.239 179.582 177.584 -0.402 0.000 1.169 430 A CA 1.868 53.363 52.037 -0.903 0.000 0.635 430 A CB -0.463 17.958 19.000 -0.965 0.000 0.810 430 A HN 0.544 nan 8.150 nan 0.000 0.446 431 Q N -0.882 118.622 119.800 -0.493 0.000 1.969 431 Q HA -0.091 4.249 4.340 0.000 0.000 0.198 431 Q C 2.147 177.912 176.000 -0.392 0.000 0.978 431 Q CA 1.418 56.680 55.803 -0.901 0.000 0.830 431 Q CB -0.207 27.840 28.738 -1.151 0.000 0.896 431 Q HN 0.654 nan 8.270 nan 0.000 0.431 432 M N -0.291 119.153 119.600 -0.260 0.000 2.108 432 M HA -0.224 4.256 4.480 0.000 0.000 0.257 432 M C 1.813 177.979 176.300 -0.224 0.000 1.071 432 M CA 1.683 56.835 55.300 -0.247 0.000 1.093 432 M CB -0.326 32.104 32.600 -0.283 0.000 1.345 432 M HN 0.226 nan 8.290 nan 0.000 0.403 433 F N -0.852 119.102 119.950 0.006 0.000 2.407 433 F HA -0.099 4.429 4.527 0.000 0.000 0.299 433 F C 2.806 178.693 175.800 0.145 0.000 1.097 433 F CA 1.063 59.154 58.000 0.152 0.000 1.422 433 F CB -0.447 38.745 39.000 0.319 0.000 1.067 433 F HN 0.121 nan 8.300 nan 0.000 0.539 434 S N -0.292 115.497 115.700 0.147 0.000 2.371 434 S HA -0.149 4.321 4.470 0.000 0.000 0.224 434 S C 1.858 176.507 174.600 0.080 0.000 1.029 434 S CA 1.325 59.588 58.200 0.105 0.000 0.978 434 S CB -0.275 62.937 63.200 0.021 0.000 0.833 434 S HN 0.231 nan 8.310 nan 0.000 0.466 435 D N 1.422 121.819 120.400 -0.005 0.000 2.081 435 D HA -0.099 4.541 4.640 0.000 0.000 0.194 435 D C 2.076 178.399 176.300 0.039 0.000 0.986 435 D CA 1.252 55.244 54.000 -0.015 0.000 0.837 435 D CB -0.555 40.194 40.800 -0.085 0.000 0.985 435 D HN 0.375 nan 8.370 nan 0.000 0.448 436 M N 0.392 120.006 119.600 0.024 0.000 2.153 436 M HA -0.217 4.263 4.480 0.000 0.000 0.253 436 M C 2.282 178.729 176.300 0.246 0.000 1.081 436 M CA 1.211 56.560 55.300 0.082 0.000 1.076 436 M CB -0.304 32.297 32.600 0.002 0.000 1.350 436 M HN -0.060 nan 8.290 nan 0.000 0.401 437 V N 0.108 120.205 119.914 0.306 0.000 2.407 437 V HA -0.195 3.925 4.120 0.000 0.000 0.245 437 V C 2.135 178.346 176.094 0.194 0.000 1.041 437 V CA 1.394 63.868 62.300 0.290 0.000 1.040 437 V CB -0.326 31.689 31.823 0.321 0.000 0.671 437 V HN 0.456 nan 8.190 nan 0.000 0.455 438 L N -1.076 120.234 121.223 0.146 0.000 2.209 438 L HA -0.018 4.322 4.340 0.000 0.000 0.207 438 L C 2.258 179.171 176.870 0.070 0.000 1.094 438 L CA 1.260 56.163 54.840 0.104 0.000 0.790 438 L CB -0.316 41.792 42.059 0.082 0.000 0.932 438 L HN 0.275 nan 8.230 nan 0.000 0.447 439 K N -0.276 120.157 120.400 0.055 0.000 2.253 439 K HA 0.050 4.370 4.320 0.000 0.000 0.225 439 K C 1.191 177.806 176.600 0.025 0.000 1.037 439 K CA 0.171 56.474 56.287 0.027 0.000 0.928 439 K CB 0.008 32.509 32.500 0.001 0.000 1.057 439 K HN 0.011 nan 8.250 nan 0.000 0.462 440 D N 1.098 121.509 120.400 0.018 0.000 2.420 440 D HA -0.071 4.569 4.640 0.000 0.000 0.233 440 D C 0.596 176.920 176.300 0.041 0.000 1.017 440 D CA 1.102 55.108 54.000 0.010 0.000 0.951 440 D CB -0.318 40.471 40.800 -0.019 0.000 0.877 440 D HN 0.642 nan 8.370 nan 0.000 0.528 441 G N 1.696 110.532 108.800 0.060 0.000 2.323 441 G HA2 -0.318 3.642 3.960 0.000 0.000 0.292 441 G HA3 -0.318 3.642 3.960 0.000 0.000 0.292 441 G C 0.033 174.974 174.900 0.069 0.000 1.040 441 G CA -0.047 45.079 45.100 0.043 0.000 0.942 441 G HN 0.367 nan 8.290 nan 0.000 0.506 442 F N 0.354 120.283 119.950 -0.035 0.000 2.429 442 F HA 0.564 5.091 4.527 0.000 0.000 0.348 442 F C 0.532 176.257 175.800 -0.125 0.000 1.109 442 F CA -0.950 57.036 58.000 -0.023 0.000 1.232 442 F CB 0.922 39.958 39.000 0.060 0.000 1.157 442 F HN 0.222 nan 8.300 nan 0.000 0.564 443 Q N 7.430 126.893 119.800 -0.561 0.000 3.244 443 Q HA 0.253 4.593 4.340 0.000 0.000 0.249 443 Q C -2.495 173.138 176.000 -0.612 0.000 0.951 443 Q CA -2.047 53.109 55.803 -1.079 0.000 0.740 443 Q CB 1.181 29.261 28.738 -1.097 0.000 1.334 443 Q HN 0.438 nan 8.270 nan 0.000 0.448 444 P HA -0.006 nan 4.420 nan 0.000 0.264 444 P C 0.180 177.596 177.300 0.194 0.000 1.193 444 P CA 0.373 63.399 63.100 -0.123 0.000 0.763 444 P CB 1.638 33.269 31.700 -0.115 0.000 0.810 445 S N 2.748 118.564 115.700 0.193 0.000 2.402 445 S HA -0.071 4.399 4.470 0.000 0.000 0.229 445 S C 1.010 175.719 174.600 0.181 0.000 1.021 445 S CA 0.995 59.303 58.200 0.179 0.000 0.974 445 S CB -0.144 63.129 63.200 0.121 0.000 0.800 445 S HN 0.524 nan 8.310 nan 0.000 0.484 446 R N 0.598 121.231 120.500 0.223 0.000 2.828 446 R HA 0.565 4.905 4.340 0.000 0.000 0.264 446 R C -0.334 176.130 176.300 0.273 0.000 1.022 446 R CA -0.483 55.782 56.100 0.275 0.000 1.021 446 R CB 1.108 31.646 30.300 0.397 0.000 1.163 446 R HN 0.018 nan 8.270 nan 0.000 0.494 447 S N 0.636 116.512 115.700 0.294 0.000 2.624 447 S HA 0.435 4.905 4.470 0.000 0.000 0.263 447 S C 0.132 174.863 174.600 0.217 0.000 1.287 447 S CA -0.384 57.946 58.200 0.217 0.000 0.990 447 S CB 0.473 63.764 63.200 0.153 0.000 0.950 447 S HN 0.327 nan 8.310 nan 0.000 0.561 448 I N 1.435 122.079 120.570 0.124 0.000 2.499 448 I HA 0.422 4.592 4.170 0.000 0.000 0.288 448 I C -0.962 175.123 176.117 -0.054 0.000 1.048 448 I CA -0.285 61.001 61.300 -0.023 0.000 1.062 448 I CB 1.404 39.347 38.000 -0.095 0.000 1.238 448 I HN 0.394 nan 8.210 nan 0.000 0.426 449 I N 5.564 126.060 120.570 -0.122 0.000 2.377 449 I HA 0.403 4.573 4.170 0.000 0.000 0.293 449 I C -1.043 174.874 176.117 -0.334 0.000 0.987 449 I CA -0.517 60.765 61.300 -0.029 0.000 1.185 449 I CB 1.575 39.691 38.000 0.194 0.000 1.341 449 I HN 0.328 nan 8.210 nan 0.000 0.455 450 F N 4.698 124.565 119.950 -0.138 0.000 2.444 450 F HA 0.671 5.198 4.527 0.000 0.000 0.342 450 F C 0.327 175.979 175.800 -0.246 0.000 1.121 450 F CA -0.536 57.346 58.000 -0.197 0.000 0.997 450 F CB 1.792 40.596 39.000 -0.328 0.000 1.130 450 F HN 0.383 nan 8.300 nan 0.000 0.454 451 A N 1.874 124.524 122.820 -0.284 0.000 2.374 451 A HA 0.658 4.978 4.320 0.000 0.000 0.305 451 A C -0.831 176.215 177.584 -0.897 0.000 1.053 451 A CA -0.693 50.831 52.037 -0.855 0.000 0.726 451 A CB 1.584 19.627 19.000 -1.596 0.000 1.229 451 A HN 0.544 nan 8.150 nan 0.000 0.431 452 S N 2.306 117.517 115.700 -0.816 0.000 2.520 452 S HA 0.605 5.075 4.470 0.000 0.000 0.324 452 S C -0.935 173.361 174.600 -0.505 0.000 1.069 452 S CA -0.420 57.460 58.200 -0.535 0.000 1.121 452 S CB -0.228 62.758 63.200 -0.355 0.000 0.971 452 S HN 0.520 nan 8.310 nan 0.000 0.463 453 W N 2.608 123.834 121.300 -0.123 0.000 2.415 453 W HA 0.728 5.388 4.660 0.000 0.000 0.355 453 W C 0.717 177.228 176.519 -0.013 0.000 1.161 453 W CA -0.875 56.420 57.345 -0.083 0.000 1.315 453 W CB 0.608 30.069 29.460 0.001 0.000 1.261 453 W HN 0.489 nan 8.180 nan 0.000 0.636 454 S N 0.107 115.974 115.700 0.279 0.000 2.677 454 S HA 0.597 5.067 4.470 0.000 0.000 0.304 454 S C 0.219 174.939 174.600 0.199 0.000 1.108 454 S CA -0.028 58.289 58.200 0.195 0.000 0.944 454 S CB 1.065 64.342 63.200 0.128 0.000 1.127 454 S HN 1.621 nan 8.310 nan 0.000 0.511 455 A N 0.226 123.174 122.820 0.213 0.000 2.872 455 A HA -0.129 4.191 4.320 0.000 0.000 0.273 455 A C 1.262 179.035 177.584 0.315 0.000 1.442 455 A CA 1.450 53.651 52.037 0.274 0.000 0.801 455 A CB -2.261 16.806 19.000 0.111 0.000 1.031 455 A HN 1.443 nan 8.150 nan 0.000 0.582 456 G N -0.928 108.037 108.800 0.276 0.000 2.430 456 G HA2 0.009 3.969 3.960 0.000 0.000 0.216 456 G HA3 0.009 3.969 3.960 0.000 0.000 0.216 456 G C 0.935 175.969 174.900 0.224 0.000 1.146 456 G CA 1.219 46.447 45.100 0.214 0.000 0.793 456 G HN 0.545 nan 8.290 nan 0.000 0.537 457 D N 0.190 120.751 120.400 0.269 0.000 2.263 457 D HA -0.035 4.605 4.640 0.000 0.000 0.208 457 D C 1.248 177.576 176.300 0.047 0.000 0.971 457 D CA 0.503 54.612 54.000 0.181 0.000 0.867 457 D CB -0.124 40.757 40.800 0.135 0.000 0.929 457 D HN 0.381 nan 8.370 nan 0.000 0.492 458 F N -0.739 119.298 119.950 0.145 0.000 2.693 458 F HA 0.350 4.877 4.527 0.000 0.000 0.303 458 F C 1.412 176.920 175.800 -0.487 0.000 1.097 458 F CA 0.043 58.030 58.000 -0.021 0.000 1.330 458 F CB 0.679 39.807 39.000 0.214 0.000 1.067 458 F HN -0.093 nan 8.300 nan 0.000 0.565 459 G N -0.273 108.442 108.800 -0.143 0.000 2.629 459 G HA2 -0.105 3.855 3.960 0.000 0.000 0.154 459 G HA3 -0.105 3.855 3.960 0.000 0.000 0.154 459 G C 0.391 175.312 174.900 0.035 0.000 1.077 459 G CA -0.435 44.621 45.100 -0.072 0.000 0.831 459 G HN 0.117 nan 8.290 nan 0.000 0.495 460 S N -2.237 113.498 115.700 0.059 0.000 3.559 460 S HA -0.283 4.187 4.470 0.000 0.000 0.369 460 S C 1.998 176.559 174.600 -0.066 0.000 0.987 460 S CA 0.935 59.132 58.200 -0.004 0.000 1.187 460 S CB -1.539 61.651 63.200 -0.017 0.000 0.914 460 S HN 1.420 nan 8.310 nan 0.000 0.480 461 V N 1.086 120.997 119.914 -0.006 0.000 2.261 461 V HA -0.194 3.926 4.120 0.000 0.000 0.246 461 V C 2.773 178.803 176.094 -0.106 0.000 1.047 461 V CA 2.408 64.678 62.300 -0.050 0.000 1.015 461 V CB -1.427 30.402 31.823 0.011 0.000 0.642 461 V HN 0.736 nan 8.190 nan 0.000 0.446 462 G N -0.203 108.585 108.800 -0.019 0.000 2.491 462 G HA2 -0.285 3.675 3.960 0.000 0.000 0.218 462 G HA3 -0.285 3.675 3.960 0.000 0.000 0.218 462 G C 1.790 176.656 174.900 -0.057 0.000 1.180 462 G CA 1.392 46.532 45.100 0.066 0.000 0.774 462 G HN 0.637 nan 8.290 nan 0.000 0.562 463 A N -0.039 122.487 122.820 -0.489 0.000 1.908 463 A HA -0.043 4.277 4.320 0.000 0.000 0.218 463 A C 2.542 179.826 177.584 -0.500 0.000 1.181 463 A CA 2.590 53.955 52.037 -1.120 0.000 0.627 463 A CB -1.007 17.112 19.000 -1.467 0.000 0.818 463 A HN 0.327 nan 8.150 nan 0.000 0.445 464 T N -0.071 114.272 114.554 -0.350 0.000 2.821 464 T HA -0.093 4.257 4.350 0.000 0.000 0.267 464 T C 1.772 176.325 174.700 -0.245 0.000 1.046 464 T CA 1.412 63.340 62.100 -0.287 0.000 1.139 464 T CB -0.216 68.511 68.868 -0.236 0.000 0.871 464 T HN 0.465 nan 8.240 nan 0.000 0.454 465 E N 0.085 120.128 120.200 -0.261 0.000 2.153 465 E HA -0.105 4.245 4.350 0.000 0.000 0.194 465 E C 1.736 178.282 176.600 -0.090 0.000 0.988 465 E CA 0.697 56.867 56.400 -0.383 0.000 0.811 465 E CB -0.294 28.881 29.700 -0.876 0.000 0.746 465 E HN 0.641 nan 8.360 nan 0.000 0.466 466 W N 1.548 122.856 121.300 0.013 0.000 2.378 466 W HA -0.093 4.567 4.660 0.000 0.000 0.313 466 W C 2.038 178.718 176.519 0.268 0.000 1.197 466 W CA 1.196 58.780 57.345 0.398 0.000 1.304 466 W CB -0.584 29.274 29.460 0.663 0.000 1.148 466 W HN -0.034 nan 8.180 nan 0.000 0.494 467 L N 0.366 121.652 121.223 0.104 0.000 2.079 467 L HA -0.232 4.108 4.340 0.000 0.000 0.210 467 L C 2.285 179.186 176.870 0.051 0.000 1.081 467 L CA 1.876 56.687 54.840 -0.048 0.000 0.752 467 L CB -0.848 41.172 42.059 -0.066 0.000 0.896 467 L HN 0.066 nan 8.230 nan 0.000 0.433 468 E N -0.344 119.864 120.200 0.014 0.000 2.158 468 E HA -0.082 4.268 4.350 0.000 0.000 0.191 468 E C 2.248 178.813 176.600 -0.058 0.000 0.982 468 E CA 0.747 57.158 56.400 0.018 0.000 0.823 468 E CB -0.167 29.449 29.700 -0.140 0.000 0.766 468 E HN 0.539 nan 8.360 nan 0.000 0.468 469 G N 0.616 109.325 108.800 -0.152 0.000 2.404 469 G HA2 -0.208 3.752 3.960 0.000 0.000 0.214 469 G HA3 -0.208 3.752 3.960 0.000 0.000 0.214 469 G C 0.750 175.336 174.900 -0.524 0.000 1.189 469 G CA 0.373 45.303 45.100 -0.284 0.000 0.789 469 G HN 0.232 nan 8.290 nan 0.000 0.533 470 Y N 0.486 120.742 120.300 -0.073 0.000 2.683 470 Y HA 0.370 4.920 4.550 0.000 0.000 0.297 470 Y C 1.833 177.630 175.900 -0.172 0.000 1.147 470 Y CA -0.895 57.108 58.100 -0.160 0.000 1.274 470 Y CB 0.194 38.451 38.460 -0.339 0.000 1.143 470 Y HN 0.135 nan 8.280 nan 0.000 0.527 471 L N 0.902 122.089 121.223 -0.061 0.000 1.976 471 L HA -0.370 3.970 4.340 0.000 0.000 0.223 471 L C 2.495 179.342 176.870 -0.039 0.000 1.081 471 L CA 2.676 57.475 54.840 -0.068 0.000 0.784 471 L CB -0.917 41.107 42.059 -0.060 0.000 0.896 471 L HN 0.369 nan 8.230 nan 0.000 0.438 472 S N -2.018 113.670 115.700 -0.021 0.000 2.440 472 S HA -0.182 4.288 4.470 0.000 0.000 0.240 472 S C 1.853 176.483 174.600 0.050 0.000 1.014 472 S CA 1.466 59.668 58.200 0.002 0.000 0.980 472 S CB -0.838 62.362 63.200 -0.000 0.000 0.775 472 S HN 0.571 nan 8.310 nan 0.000 0.499 473 S N 0.973 116.714 115.700 0.070 0.000 2.478 473 S HA 0.291 4.761 4.470 0.000 0.000 0.222 473 S C 1.376 176.045 174.600 0.115 0.000 1.008 473 S CA 0.320 58.578 58.200 0.097 0.000 0.928 473 S CB -0.175 63.094 63.200 0.115 0.000 0.781 473 S HN 0.313 nan 8.310 nan 0.000 0.518 474 L N 0.587 121.848 121.223 0.063 0.000 2.354 474 L HA 0.232 4.572 4.340 0.000 0.000 0.212 474 L C 0.792 177.653 176.870 -0.015 0.000 1.091 474 L CA 0.506 55.366 54.840 0.033 0.000 0.828 474 L CB -1.035 41.008 42.059 -0.027 0.000 0.973 474 L HN 0.260 nan 8.230 nan 0.000 0.461 475 H N 1.375 120.371 119.070 -0.123 0.000 3.237 475 H HA -0.012 4.544 4.556 0.000 0.000 0.270 475 H C 0.833 176.025 175.328 -0.227 0.000 0.900 475 H CA 0.175 56.098 56.048 -0.208 0.000 1.415 475 H CB -0.239 29.385 29.762 -0.231 0.000 1.484 475 H HN 0.159 nan 8.280 nan 0.000 0.540 476 L N 3.161 124.055 121.223 -0.547 0.000 4.429 476 L HA -0.373 3.967 4.340 0.000 0.000 0.422 476 L C 0.970 177.598 176.870 -0.403 0.000 1.149 476 L CA 0.940 55.452 54.840 -0.546 0.000 0.972 476 L CB -1.060 40.543 42.059 -0.760 0.000 2.059 476 L HN 0.569 nan 8.230 nan 0.000 0.870 477 K N 0.029 120.253 120.400 -0.292 0.000 2.362 477 K HA 0.394 4.714 4.320 0.000 0.000 0.203 477 K C 0.944 177.256 176.600 -0.480 0.000 1.198 477 K CA 1.014 57.150 56.287 -0.252 0.000 0.908 477 K CB 0.295 32.785 32.500 -0.016 0.000 1.236 477 K HN 0.225 nan 8.250 nan 0.000 0.487 478 A N 2.183 124.678 122.820 -0.542 0.000 2.347 478 A HA 0.353 4.673 4.320 0.000 0.000 0.287 478 A C 0.406 177.855 177.584 -0.225 0.000 1.199 478 A CA -0.267 51.412 52.037 -0.597 0.000 0.851 478 A CB -0.584 18.286 19.000 -0.216 0.000 1.118 478 A HN 0.337 nan 8.150 nan 0.000 0.525 479 F N 0.536 120.360 119.950 -0.210 0.000 2.682 479 F HA 0.497 5.024 4.527 0.000 0.000 0.308 479 F C 0.123 175.907 175.800 -0.026 0.000 1.093 479 F CA -0.243 57.685 58.000 -0.120 0.000 1.244 479 F CB 0.168 39.075 39.000 -0.155 0.000 1.052 479 F HN 0.303 nan 8.300 nan 0.000 0.573 480 T N -0.088 114.223 114.554 -0.405 0.000 3.087 480 T HA 0.260 4.610 4.350 0.000 0.000 0.351 480 T C -2.493 172.109 174.700 -0.162 0.000 1.520 480 T CA -0.536 61.440 62.100 -0.207 0.000 1.111 480 T CB 1.715 70.461 68.868 -0.203 0.000 1.353 480 T HN 0.160 nan 8.240 nan 0.000 0.481 481 Y N 2.882 123.054 120.300 -0.214 0.000 2.425 481 Y HA 0.807 5.357 4.550 0.000 0.000 0.344 481 Y C -1.507 174.270 175.900 -0.205 0.000 0.969 481 Y CA -1.226 56.684 58.100 -0.318 0.000 1.052 481 Y CB 0.975 39.020 38.460 -0.691 0.000 1.215 481 Y HN 0.612 nan 8.280 nan 0.000 0.451 482 I N 6.370 126.342 120.570 -0.996 0.000 2.418 482 I HA 0.283 4.453 4.170 0.000 0.000 0.287 482 I C -0.711 174.905 176.117 -0.836 0.000 1.008 482 I CA -0.706 60.249 61.300 -0.576 0.000 1.104 482 I CB 1.562 39.466 38.000 -0.159 0.000 1.264 482 I HN 0.638 nan 8.210 nan 0.000 0.438 483 N N 6.064 124.490 118.700 -0.457 0.000 2.473 483 N HA 0.428 5.168 4.740 0.000 0.000 0.291 483 N C 0.079 175.483 175.510 -0.177 0.000 1.083 483 N CA -0.403 52.521 53.050 -0.210 0.000 0.951 483 N CB 1.766 40.311 38.487 0.096 0.000 1.164 483 N HN 0.609 nan 8.380 nan 0.000 0.480 484 L N 1.048 122.215 121.223 -0.093 0.000 2.766 484 L HA 0.231 4.571 4.340 0.000 0.000 0.242 484 L C -0.048 176.759 176.870 -0.105 0.000 1.136 484 L CA -0.240 54.523 54.840 -0.129 0.000 0.933 484 L CB 0.129 42.186 42.059 -0.003 0.000 1.241 484 L HN 0.403 nan 8.230 nan 0.000 0.522 485 D N 2.120 122.498 120.400 -0.036 0.000 2.443 485 D HA -0.006 4.634 4.640 0.000 0.000 0.239 485 D C 0.482 176.740 176.300 -0.071 0.000 1.136 485 D CA 0.280 54.278 54.000 -0.005 0.000 0.879 485 D CB 0.573 41.412 40.800 0.065 0.000 1.195 485 D HN 0.014 nan 8.370 nan 0.000 0.443 486 K N 0.444 120.817 120.400 -0.044 0.000 3.078 486 K HA -0.260 4.060 4.320 0.000 0.000 0.261 486 K C 0.745 177.276 176.600 -0.114 0.000 0.947 486 K CA 0.427 56.672 56.287 -0.070 0.000 0.702 486 K CB -1.258 31.212 32.500 -0.049 0.000 1.318 486 K HN 0.503 nan 8.250 nan 0.000 0.473 487 A N 0.090 122.834 122.820 -0.126 0.000 2.066 487 A HA 0.053 4.373 4.320 0.000 0.000 0.218 487 A C 0.827 178.434 177.584 0.039 0.000 1.157 487 A CA 0.913 52.867 52.037 -0.139 0.000 0.670 487 A CB 0.581 19.490 19.000 -0.151 0.000 0.804 487 A HN 0.127 nan 8.150 nan 0.000 0.453 488 V N 0.399 120.316 119.914 0.005 0.000 2.447 488 V HA 0.393 4.513 4.120 0.000 0.000 0.292 488 V C 0.108 176.143 176.094 -0.098 0.000 1.021 488 V CA -0.204 62.115 62.300 0.031 0.000 0.850 488 V CB 1.292 33.121 31.823 0.009 0.000 1.005 488 V HN 0.401 nan 8.190 nan 0.000 0.426 489 L N 3.403 124.585 121.223 -0.069 0.000 3.327 489 L HA 0.657 4.997 4.340 0.000 0.000 0.299 489 L C 0.929 177.800 176.870 0.002 0.000 1.201 489 L CA 0.499 55.234 54.840 -0.176 0.000 1.059 489 L CB 1.133 43.124 42.059 -0.113 0.000 1.488 489 L HN 0.786 nan 8.230 nan 0.000 0.609 490 G N -1.001 107.836 108.800 0.061 0.000 2.510 490 G HA2 0.369 4.329 3.960 0.000 0.000 0.277 490 G HA3 0.369 4.329 3.960 0.000 0.000 0.277 490 G C -0.295 174.683 174.900 0.129 0.000 1.223 490 G CA 0.616 45.776 45.100 0.100 0.000 0.887 490 G HN -0.275 nan 8.290 nan 0.000 0.485 491 T N -0.464 114.179 114.554 0.149 0.000 3.168 491 T HA 0.160 4.510 4.350 0.000 0.000 0.261 491 T C 2.419 177.291 174.700 0.285 0.000 0.931 491 T CA 1.074 63.290 62.100 0.192 0.000 0.949 491 T CB -0.156 68.811 68.868 0.165 0.000 1.229 491 T HN 0.358 nan 8.240 nan 0.000 0.504 492 S N 2.646 118.476 115.700 0.216 0.000 2.368 492 S HA -0.070 4.400 4.470 0.000 0.000 0.226 492 S C 0.953 175.705 174.600 0.252 0.000 1.044 492 S CA 1.272 59.599 58.200 0.212 0.000 1.062 492 S CB -0.242 63.029 63.200 0.118 0.000 0.931 492 S HN 0.491 nan 8.310 nan 0.000 0.440 493 N N -0.444 118.369 118.700 0.189 0.000 2.457 493 N HA 0.514 5.254 4.740 0.000 0.000 0.290 493 N C -1.358 174.238 175.510 0.142 0.000 1.232 493 N CA -0.529 52.616 53.050 0.158 0.000 0.852 493 N CB 1.199 39.730 38.487 0.073 0.000 1.313 493 N HN 0.221 nan 8.380 nan 0.000 0.522 494 F N 1.014 120.894 119.950 -0.118 0.000 2.577 494 F HA 0.446 4.973 4.527 0.000 0.000 0.344 494 F C -0.882 174.801 175.800 -0.195 0.000 1.145 494 F CA -0.699 57.091 58.000 -0.350 0.000 0.996 494 F CB 0.657 39.364 39.000 -0.487 0.000 1.248 494 F HN 0.197 nan 8.300 nan 0.000 0.447 495 K N 3.404 123.457 120.400 -0.578 0.000 2.139 495 K HA 0.877 5.197 4.320 0.000 0.000 0.243 495 K C -1.337 174.921 176.600 -0.570 0.000 0.983 495 K CA -0.872 55.159 56.287 -0.427 0.000 0.890 495 K CB 2.212 34.580 32.500 -0.220 0.000 1.090 495 K HN 0.398 nan 8.250 nan 0.000 0.445 496 V N 0.444 120.178 119.914 -0.299 0.000 2.932 496 V HA 0.460 4.580 4.120 0.000 0.000 0.307 496 V C -1.367 174.698 176.094 -0.048 0.000 1.147 496 V CA -0.692 61.504 62.300 -0.173 0.000 0.951 496 V CB 2.456 34.193 31.823 -0.142 0.000 1.031 496 V HN 0.719 nan 8.190 nan 0.000 0.426 497 S N 2.525 118.212 115.700 -0.022 0.000 2.614 497 S HA 0.958 5.428 4.470 0.000 0.000 0.288 497 S C -0.468 174.119 174.600 -0.022 0.000 1.137 497 S CA 0.118 58.301 58.200 -0.029 0.000 0.992 497 S CB 1.737 64.908 63.200 -0.050 0.000 1.026 497 S HN 1.381 nan 8.310 nan 0.000 0.486 498 A N 1.747 124.537 122.820 -0.050 0.000 2.515 498 A HA 0.767 5.087 4.320 0.000 0.000 0.292 498 A C -0.425 176.979 177.584 -0.301 0.000 1.065 498 A CA -0.692 51.279 52.037 -0.110 0.000 0.641 498 A CB 0.521 19.516 19.000 -0.008 0.000 1.306 498 A HN 0.767 nan 8.150 nan 0.000 0.441 499 S N 0.117 115.598 115.700 -0.365 0.000 2.560 499 S HA 0.350 4.820 4.470 0.000 0.000 0.284 499 S C -1.478 172.693 174.600 -0.714 0.000 1.327 499 S CA -0.295 57.602 58.200 -0.504 0.000 1.055 499 S CB 0.449 63.515 63.200 -0.223 0.000 0.868 499 S HN 0.347 nan 8.310 nan 0.000 0.506 500 P HA -0.053 nan 4.420 nan 0.000 0.219 500 P C 1.183 177.942 177.300 -0.902 0.000 1.146 500 P CA 0.951 63.039 63.100 -1.686 0.000 0.808 500 P CB -0.003 30.895 31.700 -1.336 0.000 0.779 501 L N -1.686 119.279 121.223 -0.429 0.000 2.353 501 L HA -0.124 4.217 4.340 0.000 0.000 0.220 501 L C 1.723 178.517 176.870 -0.126 0.000 1.133 501 L CA 1.088 55.848 54.840 -0.133 0.000 0.798 501 L CB -0.581 41.522 42.059 0.073 0.000 0.922 501 L HN 0.037 nan 8.230 nan 0.000 0.445 502 L N -2.407 118.715 121.223 -0.168 0.000 2.769 502 L HA 0.038 4.378 4.340 0.000 0.000 0.240 502 L C 1.788 178.717 176.870 0.098 0.000 1.163 502 L CA -0.423 54.365 54.840 -0.087 0.000 0.962 502 L CB -0.180 41.785 42.059 -0.157 0.000 1.258 502 L HN 0.103 nan 8.230 nan 0.000 0.513 503 Y N 0.995 121.285 120.300 -0.016 0.000 2.114 503 Y HA -0.199 4.351 4.550 0.000 0.000 0.284 503 Y C 2.806 178.839 175.900 0.222 0.000 1.143 503 Y CA 1.218 59.416 58.100 0.165 0.000 1.135 503 Y CB -1.218 37.245 38.460 0.006 0.000 0.980 503 Y HN 0.147 nan 8.280 nan 0.000 0.499 504 T N 1.191 115.891 114.554 0.243 0.000 2.665 504 T HA -0.211 4.139 4.350 0.000 0.000 0.268 504 T C 2.065 176.794 174.700 0.048 0.000 1.035 504 T CA 1.571 63.743 62.100 0.120 0.000 1.151 504 T CB -0.827 68.039 68.868 -0.004 0.000 0.862 504 T HN 0.207 nan 8.240 nan 0.000 0.438 505 L N 1.139 122.360 121.223 -0.003 0.000 2.042 505 L HA 0.007 4.347 4.340 0.000 0.000 0.210 505 L C 2.135 179.010 176.870 0.008 0.000 1.076 505 L CA 1.532 56.343 54.840 -0.048 0.000 0.749 505 L CB -0.809 41.184 42.059 -0.110 0.000 0.893 505 L HN 0.300 nan 8.230 nan 0.000 0.432 506 I N -0.503 120.076 120.570 0.014 0.000 2.286 506 I HA -0.267 3.903 4.170 0.000 0.000 0.248 506 I C 2.531 178.604 176.117 -0.073 0.000 1.115 506 I CA 1.512 62.846 61.300 0.057 0.000 1.392 506 I CB -0.300 37.730 38.000 0.050 0.000 1.065 506 I HN 0.468 nan 8.210 nan 0.000 0.418 507 E N 1.555 121.725 120.200 -0.050 0.000 2.017 507 E HA -0.245 4.105 4.350 0.000 0.000 0.193 507 E C 2.174 178.668 176.600 -0.177 0.000 0.997 507 E CA 1.361 57.684 56.400 -0.127 0.000 0.804 507 E CB 0.087 29.887 29.700 0.167 0.000 0.757 507 E HN 0.319 nan 8.360 nan 0.000 0.448 508 K N -0.307 120.011 120.400 -0.136 0.000 2.074 508 K HA -0.160 4.160 4.320 0.000 0.000 0.209 508 K C 2.245 178.747 176.600 -0.163 0.000 1.048 508 K CA 1.912 58.090 56.287 -0.181 0.000 0.926 508 K CB -0.297 32.100 32.500 -0.172 0.000 0.713 508 K HN 0.176 nan 8.250 nan 0.000 0.444 509 T N 1.372 115.877 114.554 -0.082 0.000 2.788 509 T HA -0.091 4.259 4.350 0.000 0.000 0.268 509 T C 1.762 176.365 174.700 -0.161 0.000 1.044 509 T CA 1.203 63.266 62.100 -0.061 0.000 1.139 509 T CB -0.057 68.861 68.868 0.083 0.000 0.867 509 T HN 0.207 nan 8.240 nan 0.000 0.454 510 M N 0.692 120.183 119.600 -0.182 0.000 2.394 510 M HA -0.002 4.478 4.480 0.000 0.000 0.264 510 M C 2.248 178.429 176.300 -0.198 0.000 1.073 510 M CA 1.147 56.322 55.300 -0.207 0.000 1.111 510 M CB -0.276 32.215 32.600 -0.183 0.000 1.401 510 M HN 0.281 nan 8.290 nan 0.000 0.448 511 Q N 0.310 119.931 119.800 -0.298 0.000 2.311 511 Q HA -0.101 4.239 4.340 0.000 0.000 0.203 511 Q C 1.114 176.576 176.000 -0.897 0.000 0.954 511 Q CA 1.234 56.748 55.803 -0.483 0.000 0.885 511 Q CB -0.134 28.305 28.738 -0.498 0.000 0.963 511 Q HN 0.658 nan 8.270 nan 0.000 0.471 512 N N -1.532 116.823 118.700 -0.574 0.000 2.171 512 N HA 0.077 4.817 4.740 0.000 0.000 0.212 512 N C -0.629 174.739 175.510 -0.237 0.000 1.184 512 N CA -0.091 52.645 53.050 -0.524 0.000 0.888 512 N CB 0.847 39.223 38.487 -0.185 0.000 1.038 512 N HN -0.189 nan 8.380 nan 0.000 0.517 513 V N 1.017 120.821 119.914 -0.183 0.000 2.483 513 V HA 0.380 4.500 4.120 0.000 0.000 0.295 513 V C -0.190 175.951 176.094 0.078 0.000 1.035 513 V CA -0.875 61.385 62.300 -0.066 0.000 0.896 513 V CB 1.770 33.488 31.823 -0.175 0.000 0.986 513 V HN 0.140 nan 8.190 nan 0.000 0.447 514 K N 2.063 122.531 120.400 0.113 0.000 2.182 514 K HA 0.402 4.722 4.320 0.000 0.000 0.262 514 K C -0.347 176.299 176.600 0.076 0.000 0.957 514 K CA -0.793 55.588 56.287 0.156 0.000 0.842 514 K CB 1.700 34.272 32.500 0.121 0.000 1.099 514 K HN 0.843 nan 8.250 nan 0.000 0.438 515 H N 4.593 123.664 119.070 0.001 0.000 3.070 515 H HA -0.023 4.533 4.556 0.000 0.000 0.313 515 H C -1.249 174.014 175.328 -0.109 0.000 0.997 515 H CA -1.067 54.969 56.048 -0.021 0.000 1.438 515 H CB 0.951 30.735 29.762 0.036 0.000 1.455 515 H HN 0.361 nan 8.280 nan 0.000 0.575 516 P HA -0.180 nan 4.420 nan 0.000 0.222 516 P C 0.653 177.996 177.300 0.072 0.000 1.142 516 P CA 0.994 64.051 63.100 -0.072 0.000 0.788 516 P CB 0.476 31.981 31.700 -0.326 0.000 0.767 517 V N -1.041 119.050 119.914 0.295 0.000 3.029 517 V HA -0.017 4.103 4.120 0.000 0.000 0.230 517 V C 2.427 178.440 176.094 -0.135 0.000 1.254 517 V CA 1.444 63.769 62.300 0.043 0.000 1.276 517 V CB -1.118 30.740 31.823 0.059 0.000 1.080 517 V HN -0.009 nan 8.190 nan 0.000 0.495 518 T N 0.409 114.696 114.554 -0.445 0.000 2.929 518 T HA 0.007 4.357 4.350 0.000 0.000 0.271 518 T C 1.678 176.273 174.700 -0.174 0.000 1.085 518 T CA 1.577 63.446 62.100 -0.384 0.000 1.125 518 T CB -0.402 68.121 68.868 -0.575 0.000 0.874 518 T HN 0.847 nan 8.240 nan 0.000 0.494 519 G N 0.685 109.432 108.800 -0.089 0.000 2.302 519 G HA2 -0.280 3.680 3.960 0.000 0.000 0.263 519 G HA3 -0.280 3.680 3.960 0.000 0.000 0.263 519 G C 0.298 175.139 174.900 -0.098 0.000 0.995 519 G CA 0.329 45.387 45.100 -0.071 0.000 0.622 519 G HN 0.463 nan 8.290 nan 0.000 0.538 520 Q N -0.350 119.394 119.800 -0.093 0.000 2.396 520 Q HA 0.533 4.873 4.340 0.000 0.000 0.221 520 Q C 0.665 176.681 176.000 0.027 0.000 1.025 520 Q CA -0.392 55.342 55.803 -0.115 0.000 0.946 520 Q CB 0.329 29.026 28.738 -0.068 0.000 1.224 520 Q HN 0.399 nan 8.270 nan 0.000 0.539 521 F N 0.637 120.601 119.950 0.023 0.000 2.450 521 F HA -0.036 4.491 4.527 0.000 0.000 0.339 521 F C 1.880 177.696 175.800 0.027 0.000 1.146 521 F CA -0.583 57.430 58.000 0.021 0.000 1.267 521 F CB 0.560 39.585 39.000 0.041 0.000 1.178 521 F HN 0.380 nan 8.300 nan 0.000 0.585 522 L N 1.868 123.200 121.223 0.181 0.000 2.093 522 L HA -0.216 4.124 4.340 0.000 0.000 0.208 522 L C 0.696 177.604 176.870 0.064 0.000 1.085 522 L CA 0.833 55.686 54.840 0.022 0.000 0.755 522 L CB -0.337 41.553 42.059 -0.280 0.000 0.904 522 L HN 0.523 nan 8.230 nan 0.000 0.435 523 Y N 1.102 121.368 120.300 -0.056 0.000 2.730 523 Y HA -0.080 4.470 4.550 0.000 0.000 0.357 523 Y C 1.127 177.049 175.900 0.037 0.000 1.167 523 Y CA 0.289 58.346 58.100 -0.071 0.000 1.579 523 Y CB 0.218 38.616 38.460 -0.103 0.000 1.262 523 Y HN 0.091 nan 8.280 nan 0.000 0.510 524 Q N 2.235 121.910 119.800 -0.208 0.000 2.288 524 Q HA 0.114 4.454 4.340 0.000 0.000 0.256 524 Q C -0.998 174.870 176.000 -0.219 0.000 0.835 524 Q CA 0.302 56.029 55.803 -0.126 0.000 0.958 524 Q CB 0.684 29.415 28.738 -0.011 0.000 1.125 524 Q HN 0.692 nan 8.270 nan 0.000 0.513 525 D N -0.923 119.285 120.400 -0.319 0.000 2.492 525 D HA 0.156 4.796 4.640 0.000 0.000 0.248 525 D C 0.240 176.378 176.300 -0.270 0.000 1.101 525 D CA -0.149 53.736 54.000 -0.191 0.000 0.840 525 D CB 1.519 42.299 40.800 -0.034 0.000 1.209 525 D HN 0.013 nan 8.370 nan 0.000 0.524 526 S N 2.902 118.497 115.700 -0.175 0.000 2.603 526 S HA 0.027 4.497 4.470 0.000 0.000 0.220 526 S C 0.626 175.291 174.600 0.108 0.000 0.967 526 S CA -0.025 58.186 58.200 0.018 0.000 0.920 526 S CB -0.121 63.156 63.200 0.128 0.000 0.773 526 S HN 0.448 nan 8.310 nan 0.000 0.529 527 N N 1.043 119.764 118.700 0.036 0.000 2.204 527 N HA 0.140 4.880 4.740 0.000 0.000 0.219 527 N C 1.240 176.664 175.510 -0.143 0.000 1.151 527 N CA 0.226 53.240 53.050 -0.061 0.000 0.867 527 N CB -0.001 38.462 38.487 -0.040 0.000 1.043 527 N HN 0.714 nan 8.380 nan 0.000 0.516 528 W N 1.611 122.842 121.300 -0.114 0.000 2.305 528 W HA -0.192 4.468 4.660 0.000 0.000 0.308 528 W C 1.386 177.802 176.519 -0.171 0.000 1.226 528 W CA 1.236 58.504 57.345 -0.128 0.000 1.253 528 W CB -1.266 28.120 29.460 -0.125 0.000 1.146 528 W HN -0.016 nan 8.180 nan 0.000 0.507 529 A N 1.659 123.372 122.820 -1.845 0.000 1.978 529 A HA -0.236 4.084 4.320 0.000 0.000 0.220 529 A C 2.198 179.304 177.584 -0.796 0.000 1.170 529 A CA 3.029 53.977 52.037 -1.816 0.000 0.636 529 A CB -1.262 16.734 19.000 -1.673 0.000 0.810 529 A HN 0.494 nan 8.150 nan 0.000 0.448 530 S N -1.373 114.046 115.700 -0.469 0.000 2.650 530 S HA 0.081 4.551 4.470 0.000 0.000 0.219 530 S C 1.323 175.835 174.600 -0.147 0.000 0.960 530 S CA 0.830 58.897 58.200 -0.222 0.000 0.925 530 S CB 0.160 63.276 63.200 -0.140 0.000 0.775 530 S HN 0.531 nan 8.310 nan 0.000 0.525 531 K N 1.548 121.841 120.400 -0.177 0.000 2.438 531 K HA 0.234 4.554 4.320 0.000 0.000 0.206 531 K C -0.411 176.142 176.600 -0.079 0.000 1.081 531 K CA -0.131 56.104 56.287 -0.086 0.000 1.053 531 K CB 0.444 32.915 32.500 -0.048 0.000 0.908 531 K HN 0.285 nan 8.250 nan 0.000 0.556 532 V N 2.717 122.541 119.914 -0.149 0.000 2.529 532 V HA 0.046 4.166 4.120 0.000 0.000 0.292 532 V C 0.244 176.316 176.094 -0.036 0.000 1.028 532 V CA 0.138 62.370 62.300 -0.113 0.000 1.074 532 V CB 0.571 32.254 31.823 -0.233 0.000 0.958 532 V HN 0.253 nan 8.190 nan 0.000 0.481 533 E N 4.233 124.418 120.200 -0.026 0.000 2.249 533 E HA 0.332 4.682 4.350 0.000 0.000 0.280 533 E C 0.166 176.760 176.600 -0.010 0.000 1.016 533 E CA -0.690 55.710 56.400 -0.001 0.000 0.830 533 E CB 0.824 30.514 29.700 -0.017 0.000 1.081 533 E HN 0.729 nan 8.360 nan 0.000 0.395 534 K N 2.764 123.186 120.400 0.038 0.000 2.276 534 K HA 0.114 4.434 4.320 0.000 0.000 0.259 534 K C -0.379 176.228 176.600 0.012 0.000 1.001 534 K CA -0.768 55.520 56.287 0.000 0.000 0.927 534 K CB 0.401 33.038 32.500 0.230 0.000 0.969 534 K HN 0.206 nan 8.250 nan 0.000 0.490 535 L N 2.325 123.545 121.223 -0.004 0.000 2.525 535 L HA 0.043 4.383 4.340 0.000 0.000 0.278 535 L C 0.529 177.471 176.870 0.121 0.000 1.218 535 L CA 0.919 55.809 54.840 0.083 0.000 0.878 535 L CB 0.442 42.582 42.059 0.134 0.000 1.127 535 L HN 1.030 nan 8.230 nan 0.000 0.492 536 T N 0.152 114.692 114.554 -0.025 0.000 2.942 536 T HA 0.458 4.808 4.350 0.000 0.000 0.289 536 T C 1.440 175.851 174.700 -0.482 0.000 1.044 536 T CA -0.914 61.028 62.100 -0.263 0.000 1.023 536 T CB 0.811 69.572 68.868 -0.178 0.000 1.123 536 T HN 0.411 nan 8.240 nan 0.000 0.512 537 L N 0.877 121.639 121.223 -0.769 0.000 2.137 537 L HA -0.155 4.185 4.340 0.000 0.000 0.213 537 L C 2.337 179.061 176.870 -0.243 0.000 1.085 537 L CA 2.000 56.432 54.840 -0.679 0.000 0.760 537 L CB -0.540 41.228 42.059 -0.485 0.000 0.893 537 L HN 0.844 nan 8.230 nan 0.000 0.434 538 D N -1.621 118.677 120.400 -0.171 0.000 2.349 538 D HA -0.110 4.530 4.640 0.000 0.000 0.224 538 D C 0.637 176.934 176.300 -0.004 0.000 1.029 538 D CA 0.052 54.013 54.000 -0.064 0.000 0.879 538 D CB -0.468 40.269 40.800 -0.104 0.000 0.906 538 D HN 0.302 nan 8.370 nan 0.000 0.528 539 N N -0.141 118.563 118.700 0.007 0.000 2.426 539 N HA 0.371 5.111 4.740 0.000 0.000 0.275 539 N C 0.946 176.545 175.510 0.148 0.000 1.019 539 N CA -0.207 52.888 53.050 0.075 0.000 0.941 539 N CB 1.491 40.022 38.487 0.073 0.000 1.123 539 N HN -0.033 nan 8.380 nan 0.000 0.486 540 A N 3.112 126.030 122.820 0.163 0.000 2.131 540 A HA -0.112 4.208 4.320 0.000 0.000 0.220 540 A C 1.923 179.674 177.584 0.278 0.000 1.158 540 A CA 1.773 53.921 52.037 0.185 0.000 0.665 540 A CB -0.710 18.427 19.000 0.229 0.000 0.795 540 A HN 0.754 nan 8.150 nan 0.000 0.460 541 A N -1.510 121.501 122.820 0.318 0.000 2.067 541 A HA 0.141 4.461 4.320 0.000 0.000 0.217 541 A C 1.816 179.545 177.584 0.242 0.000 1.156 541 A CA 1.015 53.266 52.037 0.357 0.000 0.683 541 A CB -0.592 18.581 19.000 0.289 0.000 0.808 541 A HN 0.601 nan 8.150 nan 0.000 0.455 542 F N 1.826 121.807 119.950 0.052 0.000 2.091 542 F HA -0.108 4.419 4.527 0.000 0.000 0.299 542 F C -0.731 175.034 175.800 -0.059 0.000 1.103 542 F CA 2.205 60.172 58.000 -0.055 0.000 1.228 542 F CB -1.082 37.819 39.000 -0.164 0.000 0.984 542 F HN 0.176 nan 8.300 nan 0.000 0.477 543 P HA -0.177 nan 4.420 nan 0.000 0.215 543 P C 1.718 178.965 177.300 -0.089 0.000 1.153 543 P CA 1.755 64.795 63.100 -0.099 0.000 0.853 543 P CB -0.313 31.355 31.700 -0.053 0.000 0.788 544 F N -0.989 118.899 119.950 -0.103 0.000 2.091 544 F HA -0.192 4.335 4.527 0.000 0.000 0.299 544 F C 2.239 178.016 175.800 -0.039 0.000 1.103 544 F CA 1.300 59.260 58.000 -0.067 0.000 1.228 544 F CB -1.228 37.686 39.000 -0.142 0.000 0.984 544 F HN -0.126 nan 8.300 nan 0.000 0.477 545 L N -0.088 121.178 121.223 0.071 0.000 2.049 545 L HA 0.088 4.428 4.340 0.000 0.000 0.203 545 L C 2.293 179.121 176.870 -0.070 0.000 1.074 545 L CA 1.950 56.773 54.840 -0.028 0.000 0.749 545 L CB -1.222 40.756 42.059 -0.135 0.000 0.907 545 L HN 0.015 nan 8.230 nan 0.000 0.439 546 A N -1.919 120.745 122.820 -0.259 0.000 1.968 546 A HA -0.179 4.141 4.320 0.000 0.000 0.217 546 A C 2.119 179.830 177.584 0.212 0.000 1.169 546 A CA 1.673 53.627 52.037 -0.140 0.000 0.638 546 A CB -0.744 17.750 19.000 -0.844 0.000 0.812 546 A HN 0.647 nan 8.150 nan 0.000 0.446 547 Y N -0.341 120.006 120.300 0.078 0.000 2.382 547 Y HA 0.139 4.689 4.550 0.000 0.000 0.292 547 Y C 2.446 178.379 175.900 0.056 0.000 1.151 547 Y CA 1.291 59.465 58.100 0.124 0.000 1.198 547 Y CB -0.156 38.383 38.460 0.131 0.000 1.195 547 Y HN 0.184 nan 8.280 nan 0.000 0.530 548 S N -0.274 115.300 115.700 -0.209 0.000 2.436 548 S HA 0.135 4.605 4.470 0.000 0.000 0.228 548 S C 1.467 176.050 174.600 -0.028 0.000 1.014 548 S CA 1.025 59.066 58.200 -0.265 0.000 0.950 548 S CB -0.608 62.521 63.200 -0.119 0.000 0.784 548 S HN 0.901 nan 8.310 nan 0.000 0.504 549 G N 1.323 110.178 108.800 0.092 0.000 2.137 549 G HA2 -0.231 3.729 3.960 0.000 0.000 0.237 549 G HA3 -0.231 3.729 3.960 0.000 0.000 0.237 549 G C -0.038 174.972 174.900 0.182 0.000 1.002 549 G CA -0.117 45.105 45.100 0.203 0.000 0.702 549 G HN 0.500 nan 8.290 nan 0.000 0.515 550 I N 2.204 122.874 120.570 0.168 0.000 2.307 550 I HA 0.261 4.431 4.170 0.000 0.000 0.289 550 I C -1.824 174.389 176.117 0.161 0.000 1.021 550 I CA -2.465 58.941 61.300 0.177 0.000 1.224 550 I CB 1.516 39.680 38.000 0.273 0.000 1.376 550 I HN -0.129 nan 8.210 nan 0.000 0.470 551 P HA 0.025 nan 4.420 nan 0.000 0.261 551 P C -0.627 176.704 177.300 0.051 0.000 1.183 551 P CA 0.242 63.386 63.100 0.074 0.000 0.761 551 P CB 0.787 32.533 31.700 0.078 0.000 0.785 552 A N 3.347 126.181 122.820 0.023 0.000 2.435 552 A HA 0.809 5.129 4.320 0.000 0.000 0.296 552 A C -1.041 176.534 177.584 -0.015 0.000 1.147 552 A CA -0.775 51.297 52.037 0.059 0.000 0.775 552 A CB 2.132 21.252 19.000 0.201 0.000 1.340 552 A HN 0.429 nan 8.150 nan 0.000 0.427 553 V N -0.225 119.690 119.914 0.002 0.000 3.012 553 V HA 0.820 4.940 4.120 0.000 0.000 0.307 553 V C -0.842 175.289 176.094 0.061 0.000 1.166 553 V CA 0.275 62.581 62.300 0.010 0.000 0.974 553 V CB 2.276 34.072 31.823 -0.045 0.000 1.040 553 V HN 1.624 nan 8.190 nan 0.000 0.428 554 S N 4.833 120.575 115.700 0.070 0.000 2.540 554 S HA 0.948 5.418 4.470 0.000 0.000 0.275 554 S C -1.355 173.245 174.600 0.001 0.000 1.123 554 S CA -0.366 57.818 58.200 -0.026 0.000 0.907 554 S CB 1.564 64.738 63.200 -0.044 0.000 1.081 554 S HN 1.610 nan 8.310 nan 0.000 0.476 555 F N 1.070 120.975 119.950 -0.076 0.000 2.686 555 F HA 0.872 5.399 4.527 0.000 0.000 0.311 555 F C -0.751 174.910 175.800 -0.231 0.000 1.128 555 F CA -1.087 56.766 58.000 -0.245 0.000 0.946 555 F CB 0.506 39.361 39.000 -0.242 0.000 1.336 555 F HN 0.874 nan 8.300 nan 0.000 0.457 556 C N -0.404 118.779 119.300 -0.194 0.000 3.311 556 C HA 0.765 5.225 4.460 0.000 0.000 0.325 556 C C -1.633 173.243 174.990 -0.190 0.000 1.352 556 C CA -1.255 57.698 59.018 -0.109 0.000 1.308 556 C CB 1.210 28.878 27.740 -0.119 0.000 1.619 556 C HN 0.882 nan 8.230 nan 0.000 0.469 557 F N 2.229 122.264 119.950 0.141 0.000 2.308 557 F HA 0.591 5.118 4.527 0.000 0.000 0.370 557 F C 0.971 176.788 175.800 0.029 0.000 1.100 557 F CA -0.111 57.957 58.000 0.114 0.000 1.108 557 F CB 0.895 39.925 39.000 0.051 0.000 1.293 557 F HN 1.008 nan 8.300 nan 0.000 0.478 558 C N 0.597 119.957 119.300 0.100 0.000 3.119 558 C HA 0.836 5.296 4.460 0.000 0.000 0.359 558 C C -0.154 174.875 174.990 0.066 0.000 1.486 558 C CA -0.945 58.106 59.018 0.056 0.000 1.556 558 C CB 1.422 29.156 27.740 -0.011 0.000 2.063 558 C HN 0.604 nan 8.230 nan 0.000 0.454 559 E N -0.461 119.765 120.200 0.042 0.000 2.334 559 E HA 0.392 4.742 4.350 0.000 0.000 0.256 559 E C -0.346 176.254 176.600 -0.001 0.000 0.958 559 E CA -0.349 56.071 56.400 0.034 0.000 0.821 559 E CB 0.942 30.662 29.700 0.033 0.000 1.269 559 E HN 0.648 nan 8.360 nan 0.000 0.413 560 D N -0.888 119.506 120.400 -0.009 0.000 2.355 560 D HA 0.069 4.709 4.640 0.000 0.000 0.218 560 D C -0.454 175.809 176.300 -0.063 0.000 1.004 560 D CA 0.647 54.629 54.000 -0.030 0.000 0.880 560 D CB 0.317 41.106 40.800 -0.019 0.000 0.911 560 D HN 0.104 nan 8.370 nan 0.000 0.528 561 T N 0.771 115.282 114.554 -0.072 0.000 2.859 561 T HA 0.229 4.579 4.350 0.000 0.000 0.281 561 T C -0.321 174.296 174.700 -0.139 0.000 1.005 561 T CA -0.868 61.152 62.100 -0.134 0.000 1.025 561 T CB 1.549 70.334 68.868 -0.139 0.000 0.977 561 T HN -0.134 nan 8.240 nan 0.000 0.458 562 D N 1.217 121.477 120.400 -0.234 0.000 2.382 562 D HA 0.052 4.692 4.640 0.000 0.000 0.245 562 D C -0.291 175.939 176.300 -0.116 0.000 1.120 562 D CA -0.094 53.807 54.000 -0.165 0.000 0.890 562 D CB 0.395 41.057 40.800 -0.230 0.000 1.201 562 D HN 0.457 nan 8.370 nan 0.000 0.433 563 Y N 4.383 124.615 120.300 -0.114 0.000 2.730 563 Y HA 0.043 4.593 4.550 0.000 0.000 0.354 563 Y C -1.127 174.710 175.900 -0.105 0.000 1.139 563 Y CA -1.770 56.263 58.100 -0.112 0.000 1.516 563 Y CB 0.519 38.958 38.460 -0.036 0.000 1.204 563 Y HN 0.291 nan 8.280 nan 0.000 0.520 564 P HA -0.313 nan 4.420 nan 0.000 0.218 564 P C 0.785 177.980 177.300 -0.175 0.000 1.154 564 P CA 2.049 64.941 63.100 -0.346 0.000 0.872 564 P CB -0.168 31.148 31.700 -0.641 0.000 0.790 565 Y N -0.801 119.366 120.300 -0.222 0.000 2.583 565 Y HA 0.097 4.647 4.550 0.000 0.000 0.293 565 Y C 1.656 177.671 175.900 0.192 0.000 1.157 565 Y CA -0.965 57.127 58.100 -0.014 0.000 1.315 565 Y CB -0.541 37.878 38.460 -0.068 0.000 1.021 565 Y HN -0.143 nan 8.280 nan 0.000 0.536 566 L N 0.820 122.270 121.223 0.378 0.000 2.578 566 L HA -0.039 4.301 4.340 0.000 0.000 0.279 566 L C 1.381 178.453 176.870 0.336 0.000 1.227 566 L CA 1.057 56.117 54.840 0.366 0.000 0.900 566 L CB 0.080 42.322 42.059 0.305 0.000 1.144 566 L HN 0.569 nan 8.230 nan 0.000 0.496 567 G N 1.546 110.557 108.800 0.352 0.000 2.148 567 G HA2 -0.282 3.678 3.960 0.000 0.000 0.254 567 G HA3 -0.282 3.678 3.960 0.000 0.000 0.254 567 G C 0.245 175.464 174.900 0.531 0.000 0.981 567 G CA 0.453 45.793 45.100 0.401 0.000 0.670 567 G HN 0.840 nan 8.290 nan 0.000 0.528 568 T N -4.915 109.941 114.554 0.502 0.000 2.807 568 T HA 0.677 5.027 4.350 0.000 0.000 0.277 568 T C 1.113 176.052 174.700 0.398 0.000 1.006 568 T CA 0.743 63.152 62.100 0.515 0.000 1.006 568 T CB 1.719 70.805 68.868 0.364 0.000 1.274 568 T HN 0.126 nan 8.240 nan 0.000 0.569 569 T N 0.787 115.501 114.554 0.266 0.000 3.088 569 T HA 0.179 4.529 4.350 0.000 0.000 0.259 569 T C 1.552 176.266 174.700 0.024 0.000 1.122 569 T CA 0.574 62.720 62.100 0.077 0.000 1.095 569 T CB -0.320 68.562 68.868 0.023 0.000 0.930 569 T HN 0.484 nan 8.240 nan 0.000 0.508 570 M N 1.028 120.624 119.600 -0.007 0.000 2.561 570 M HA 0.119 4.599 4.480 0.000 0.000 0.238 570 M C 0.432 176.666 176.300 -0.110 0.000 1.131 570 M CA 0.370 55.542 55.300 -0.214 0.000 1.046 570 M CB -0.060 32.153 32.600 -0.644 0.000 1.532 570 M HN -0.037 nan 8.290 nan 0.000 0.497 571 D N 2.802 123.286 120.400 0.141 0.000 2.551 571 D HA 0.058 4.698 4.640 0.000 0.000 0.223 571 D C 0.017 176.438 176.300 0.201 0.000 1.144 571 D CA 0.190 54.367 54.000 0.295 0.000 1.025 571 D CB 0.257 41.271 40.800 0.357 0.000 1.085 571 D HN 0.219 nan 8.370 nan 0.000 0.506 572 T N -1.261 113.387 114.554 0.155 0.000 2.910 572 T HA 0.188 4.538 4.350 0.000 0.000 0.287 572 T C 0.993 175.797 174.700 0.174 0.000 1.050 572 T CA -0.815 61.370 62.100 0.142 0.000 1.011 572 T CB 0.803 69.722 68.868 0.085 0.000 1.195 572 T HN 0.141 nan 8.240 nan 0.000 0.540 573 Y N 1.587 121.935 120.300 0.080 0.000 2.114 573 Y HA -0.071 4.479 4.550 0.000 0.000 0.284 573 Y C 2.379 178.329 175.900 0.084 0.000 1.143 573 Y CA 1.855 60.003 58.100 0.080 0.000 1.135 573 Y CB -0.301 38.194 38.460 0.059 0.000 0.980 573 Y HN 0.529 nan 8.280 nan 0.000 0.499 574 K N 0.263 120.737 120.400 0.124 0.000 2.052 574 K HA -0.245 4.075 4.320 0.000 0.000 0.215 574 K C 1.876 178.463 176.600 -0.022 0.000 1.053 574 K CA 1.971 58.284 56.287 0.043 0.000 0.934 574 K CB -0.594 31.945 32.500 0.066 0.000 0.717 574 K HN 0.425 nan 8.250 nan 0.000 0.450 575 E N 0.732 120.946 120.200 0.023 0.000 2.072 575 E HA -0.124 4.226 4.350 0.000 0.000 0.191 575 E C 2.105 178.793 176.600 0.147 0.000 0.985 575 E CA 0.461 56.916 56.400 0.092 0.000 0.801 575 E CB -0.388 29.371 29.700 0.098 0.000 0.750 575 E HN 0.135 nan 8.360 nan 0.000 0.452 576 L N 1.124 122.412 121.223 0.109 0.000 1.989 576 L HA -0.125 4.215 4.340 0.000 0.000 0.211 576 L C 2.328 179.154 176.870 -0.073 0.000 1.071 576 L CA 1.555 56.441 54.840 0.076 0.000 0.749 576 L CB -0.577 41.469 42.059 -0.022 0.000 0.890 576 L HN 0.117 nan 8.230 nan 0.000 0.431 577 I N -1.110 119.276 120.570 -0.306 0.000 2.439 577 I HA -0.232 3.938 4.170 0.000 0.000 0.251 577 I C 2.402 178.460 176.117 -0.098 0.000 1.139 577 I CA 1.144 62.287 61.300 -0.263 0.000 1.438 577 I CB -0.037 37.684 38.000 -0.466 0.000 1.085 577 I HN 0.491 nan 8.210 nan 0.000 0.427 578 E N 0.710 120.873 120.200 -0.062 0.000 2.106 578 E HA -0.232 4.118 4.350 0.000 0.000 0.192 578 E C 2.271 178.893 176.600 0.035 0.000 0.984 578 E CA 1.015 57.416 56.400 0.002 0.000 0.806 578 E CB 0.103 29.817 29.700 0.022 0.000 0.750 578 E HN 0.468 nan 8.360 nan 0.000 0.458 579 R N -0.103 120.438 120.500 0.069 0.000 2.093 579 R HA 0.143 4.483 4.340 0.000 0.000 0.224 579 R C 1.189 177.531 176.300 0.070 0.000 1.101 579 R CA 0.815 56.972 56.100 0.094 0.000 0.979 579 R CB 0.183 30.589 30.300 0.176 0.000 0.877 579 R HN 0.187 nan 8.270 nan 0.000 0.441 580 I N 2.633 123.232 120.570 0.049 0.000 2.668 580 I HA 0.212 4.383 4.170 0.000 0.000 0.276 580 I C -2.111 174.004 176.117 -0.003 0.000 1.139 580 I CA -2.733 58.583 61.300 0.027 0.000 1.133 580 I CB 1.682 39.698 38.000 0.027 0.000 1.327 580 I HN -0.098 nan 8.210 nan 0.000 0.520 581 P HA -0.162 nan 4.420 nan 0.000 0.219 581 P C 0.313 177.617 177.300 0.006 0.000 1.146 581 P CA 1.379 64.480 63.100 0.001 0.000 0.808 581 P CB 0.144 31.850 31.700 0.010 0.000 0.779 582 E N -0.316 119.886 120.200 0.002 0.000 2.296 582 E HA 0.146 4.496 4.350 0.000 0.000 0.196 582 E C 1.637 178.229 176.600 -0.015 0.000 1.143 582 E CA -0.271 56.127 56.400 -0.003 0.000 1.145 582 E CB -0.932 28.762 29.700 -0.011 0.000 1.215 582 E HN 0.184 nan 8.360 nan 0.000 0.447 583 L N 0.641 121.863 121.223 -0.003 0.000 1.963 583 L HA -0.364 3.976 4.340 0.000 0.000 0.220 583 L C 2.021 178.897 176.870 0.009 0.000 1.076 583 L CA 1.981 56.820 54.840 -0.003 0.000 0.772 583 L CB -0.200 41.871 42.059 0.020 0.000 0.892 583 L HN 0.327 nan 8.230 nan 0.000 0.435 584 N N -0.132 118.613 118.700 0.074 0.000 2.132 584 N HA -0.299 4.441 4.740 0.000 0.000 0.191 584 N C 1.812 177.364 175.510 0.070 0.000 1.015 584 N CA 1.941 55.074 53.050 0.137 0.000 0.864 584 N CB -0.094 38.489 38.487 0.160 0.000 1.006 584 N HN 0.244 nan 8.380 nan 0.000 0.430 585 K N -0.585 119.815 120.400 -0.002 0.000 2.062 585 K HA -0.003 4.317 4.320 0.000 0.000 0.205 585 K C 1.678 178.167 176.600 -0.185 0.000 1.051 585 K CA 0.906 57.158 56.287 -0.058 0.000 0.941 585 K CB 0.053 32.522 32.500 -0.052 0.000 0.719 585 K HN 0.010 nan 8.250 nan 0.000 0.440 586 V N 1.216 120.996 119.914 -0.223 0.000 2.358 586 V HA -0.206 3.914 4.120 0.000 0.000 0.246 586 V C 2.347 178.212 176.094 -0.381 0.000 1.047 586 V CA 1.906 63.966 62.300 -0.400 0.000 1.035 586 V CB -0.614 31.028 31.823 -0.301 0.000 0.658 586 V HN 0.429 nan 8.190 nan 0.000 0.452 587 A N 0.371 123.014 122.820 -0.294 0.000 1.933 587 A HA -0.249 4.071 4.320 0.000 0.000 0.218 587 A C 2.433 179.540 177.584 -0.794 0.000 1.175 587 A CA 1.911 53.687 52.037 -0.434 0.000 0.628 587 A CB -0.576 18.194 19.000 -0.383 0.000 0.814 587 A HN 0.417 nan 8.150 nan 0.000 0.444 588 R N 0.170 120.256 120.500 -0.691 0.000 2.081 588 R HA -0.100 4.240 4.340 0.000 0.000 0.235 588 R C 2.205 178.331 176.300 -0.290 0.000 1.131 588 R CA 1.748 57.557 56.100 -0.484 0.000 0.960 588 R CB -0.756 29.527 30.300 -0.028 0.000 0.856 588 R HN 0.406 nan 8.270 nan 0.000 0.436 589 A N 0.876 123.513 122.820 -0.304 0.000 1.902 589 A HA -0.085 4.235 4.320 0.000 0.000 0.217 589 A C 2.429 179.977 177.584 -0.061 0.000 1.181 589 A CA 1.891 53.772 52.037 -0.261 0.000 0.623 589 A CB -0.703 17.936 19.000 -0.602 0.000 0.818 589 A HN 0.534 nan 8.150 nan 0.000 0.443 590 A N -0.136 122.704 122.820 0.034 0.000 1.873 590 A HA 0.185 4.505 4.320 0.000 0.000 0.215 590 A C 2.529 180.176 177.584 0.104 0.000 1.186 590 A CA 2.061 54.282 52.037 0.307 0.000 0.616 590 A CB -1.119 18.108 19.000 0.377 0.000 0.823 590 A HN 1.112 nan 8.150 nan 0.000 0.442 591 A N -0.319 122.465 122.820 -0.059 0.000 1.940 591 A HA -0.216 4.104 4.320 0.000 0.000 0.219 591 A C 2.008 179.602 177.584 0.016 0.000 1.176 591 A CA 1.978 54.021 52.037 0.010 0.000 0.631 591 A CB -0.534 18.446 19.000 -0.033 0.000 0.814 591 A HN 0.712 nan 8.150 nan 0.000 0.446 592 E N 0.063 120.225 120.200 -0.063 0.000 2.106 592 E HA -0.132 4.218 4.350 0.000 0.000 0.192 592 E C 1.950 178.435 176.600 -0.192 0.000 0.984 592 E CA 1.642 57.987 56.400 -0.091 0.000 0.806 592 E CB -0.211 29.428 29.700 -0.102 0.000 0.750 592 E HN 0.542 nan 8.360 nan 0.000 0.458 593 V N -1.114 118.590 119.914 -0.350 0.000 2.379 593 V HA -0.032 4.088 4.120 0.000 0.000 0.245 593 V C 2.327 177.827 176.094 -0.990 0.000 1.044 593 V CA 1.488 63.344 62.300 -0.740 0.000 1.036 593 V CB -0.861 30.375 31.823 -0.979 0.000 0.664 593 V HN 0.311 nan 8.190 nan 0.000 0.453 594 A N 1.481 123.992 122.820 -0.514 0.000 1.877 594 A HA 0.061 4.381 4.320 0.000 0.000 0.216 594 A C 2.430 180.016 177.584 0.004 0.000 1.186 594 A CA 2.019 53.957 52.037 -0.166 0.000 0.620 594 A CB -1.604 17.514 19.000 0.197 0.000 0.822 594 A HN 0.724 nan 8.150 nan 0.000 0.443 595 G N -0.912 107.959 108.800 0.117 0.000 2.446 595 G HA2 -0.282 3.678 3.960 0.000 0.000 0.217 595 G HA3 -0.282 3.678 3.960 0.000 0.000 0.217 595 G C 1.635 176.732 174.900 0.329 0.000 1.168 595 G CA 1.092 46.425 45.100 0.388 0.000 0.771 595 G HN 0.625 nan 8.290 nan 0.000 0.551 596 Q N -0.862 119.008 119.800 0.116 0.000 2.119 596 Q HA -0.045 4.295 4.340 0.000 0.000 0.201 596 Q C 2.424 178.597 176.000 0.289 0.000 0.972 596 Q CA 0.814 56.760 55.803 0.239 0.000 0.847 596 Q CB -0.197 28.648 28.738 0.179 0.000 0.903 596 Q HN 0.468 nan 8.270 nan 0.000 0.433 597 F N 0.075 120.083 119.950 0.097 0.000 2.095 597 F HA -0.221 4.306 4.527 0.000 0.000 0.298 597 F C 2.351 178.200 175.800 0.082 0.000 1.104 597 F CA 0.672 58.701 58.000 0.050 0.000 1.232 597 F CB -1.217 37.794 39.000 0.018 0.000 0.987 597 F HN -0.116 nan 8.300 nan 0.000 0.475 598 V N 0.470 120.550 119.914 0.277 0.000 2.255 598 V HA -0.309 3.811 4.120 0.000 0.000 0.247 598 V C 2.545 178.803 176.094 0.272 0.000 1.051 598 V CA 1.418 63.796 62.300 0.130 0.000 1.018 598 V CB -0.669 31.024 31.823 -0.216 0.000 0.641 598 V HN 0.158 nan 8.190 nan 0.000 0.445 599 I N -0.252 120.551 120.570 0.389 0.000 2.052 599 I HA -0.223 3.947 4.170 0.000 0.000 0.235 599 I C 2.569 178.945 176.117 0.431 0.000 1.046 599 I CA 1.732 63.302 61.300 0.450 0.000 1.308 599 I CB -1.445 36.841 38.000 0.477 0.000 1.031 599 I HN 0.298 nan 8.210 nan 0.000 0.395 600 K N 0.732 121.312 120.400 0.300 0.000 2.144 600 K HA -0.178 4.142 4.320 0.000 0.000 0.209 600 K C 2.148 178.858 176.600 0.184 0.000 1.047 600 K CA 1.449 57.813 56.287 0.130 0.000 0.927 600 K CB -0.645 31.832 32.500 -0.037 0.000 0.716 600 K HN 0.396 nan 8.250 nan 0.000 0.454 601 L N 0.275 121.646 121.223 0.247 0.000 2.313 601 L HA -0.076 4.264 4.340 0.000 0.000 0.214 601 L C 2.051 179.154 176.870 0.390 0.000 1.119 601 L CA 1.344 56.373 54.840 0.316 0.000 0.809 601 L CB -0.258 42.008 42.059 0.345 0.000 0.933 601 L HN 0.266 nan 8.230 nan 0.000 0.449 602 T N -6.677 108.111 114.554 0.390 0.000 2.959 602 T HA -0.022 4.328 4.350 0.000 0.000 0.254 602 T C 1.622 176.563 174.700 0.402 0.000 1.003 602 T CA -0.094 62.245 62.100 0.398 0.000 0.950 602 T CB -0.264 68.850 68.868 0.410 0.000 1.090 602 T HN 0.305 nan 8.240 nan 0.000 0.503 603 H N 3.012 122.296 119.070 0.358 0.000 2.252 603 H HA -0.099 4.457 4.556 0.000 0.000 0.292 603 H C 0.481 175.948 175.328 0.232 0.000 1.082 603 H CA 1.919 58.191 56.048 0.373 0.000 1.229 603 H CB 0.044 30.022 29.762 0.361 0.000 1.353 603 H HN 0.624 nan 8.280 nan 0.000 0.488 604 D N -0.867 119.398 120.400 -0.226 0.000 2.614 604 D HA 0.030 4.670 4.640 0.000 0.000 0.264 604 D C 1.665 177.888 176.300 -0.128 0.000 1.092 604 D CA 0.208 54.032 54.000 -0.294 0.000 1.071 604 D CB 1.223 41.655 40.800 -0.613 0.000 1.443 604 D HN 0.217 nan 8.370 nan 0.000 0.528 605 V N -1.790 118.066 119.914 -0.097 0.000 2.357 605 V HA -0.212 3.908 4.120 0.000 0.000 0.257 605 V C 0.701 176.782 176.094 -0.021 0.000 1.082 605 V CA 1.438 63.716 62.300 -0.037 0.000 1.078 605 V CB -1.210 30.605 31.823 -0.014 0.000 0.663 605 V HN 0.504 nan 8.190 nan 0.000 0.455 606 E N 0.480 120.642 120.200 -0.063 0.000 2.216 606 E HA 0.593 4.943 4.350 0.000 0.000 0.279 606 E C -0.772 175.767 176.600 -0.101 0.000 0.997 606 E CA -0.700 55.658 56.400 -0.070 0.000 0.817 606 E CB 1.844 31.458 29.700 -0.144 0.000 1.096 606 E HN 0.439 nan 8.360 nan 0.000 0.393 607 L N 3.198 124.358 121.223 -0.106 0.000 2.319 607 L HA 0.164 4.504 4.340 0.000 0.000 0.280 607 L C 0.780 177.593 176.870 -0.096 0.000 1.099 607 L CA -0.470 54.300 54.840 -0.117 0.000 0.828 607 L CB 0.248 42.205 42.059 -0.170 0.000 1.150 607 L HN 0.371 nan 8.230 nan 0.000 0.442 608 N N 4.876 123.541 118.700 -0.058 0.000 2.683 608 N HA 0.116 4.856 4.740 0.000 0.000 0.256 608 N C -0.506 174.963 175.510 -0.068 0.000 1.270 608 N CA 0.304 53.300 53.050 -0.090 0.000 0.954 608 N CB -0.072 38.361 38.487 -0.091 0.000 1.289 608 N HN 0.483 nan 8.380 nan 0.000 0.508 609 L N 0.693 121.890 121.223 -0.044 0.000 2.259 609 L HA 0.194 4.534 4.340 0.000 0.000 0.288 609 L C 0.379 177.220 176.870 -0.047 0.000 1.051 609 L CA -0.665 54.175 54.840 -0.001 0.000 0.824 609 L CB 0.873 42.980 42.059 0.081 0.000 1.206 609 L HN -0.142 nan 8.230 nan 0.000 0.429 610 D N 2.863 123.190 120.400 -0.122 0.000 2.483 610 D HA 0.034 4.674 4.640 0.000 0.000 0.220 610 D C 0.913 177.070 176.300 -0.237 0.000 1.173 610 D CA -0.378 53.450 54.000 -0.286 0.000 0.964 610 D CB 0.475 41.139 40.800 -0.227 0.000 1.046 610 D HN 0.397 nan 8.370 nan 0.000 0.517 611 Y N 1.564 121.876 120.300 0.020 0.000 2.651 611 Y HA -0.044 4.506 4.550 0.000 0.000 0.296 611 Y C 1.759 177.735 175.900 0.126 0.000 1.150 611 Y CA 0.696 58.873 58.100 0.129 0.000 1.348 611 Y CB -0.507 38.003 38.460 0.083 0.000 0.983 611 Y HN 0.299 nan 8.280 nan 0.000 0.555 612 E N 1.509 121.516 120.200 -0.321 0.000 2.208 612 E HA -0.149 4.201 4.350 0.000 0.000 0.193 612 E C 1.788 178.344 176.600 -0.074 0.000 0.988 612 E CA 0.815 57.099 56.400 -0.193 0.000 0.828 612 E CB -0.190 29.314 29.700 -0.326 0.000 0.763 612 E HN 0.272 nan 8.360 nan 0.000 0.478 613 R N -0.353 120.092 120.500 -0.090 0.000 2.249 613 R HA -0.149 4.191 4.340 0.000 0.000 0.230 613 R C 1.454 177.677 176.300 -0.129 0.000 1.121 613 R CA 1.153 57.182 56.100 -0.119 0.000 0.997 613 R CB -0.666 29.497 30.300 -0.228 0.000 0.867 613 R HN 0.423 nan 8.270 nan 0.000 0.465 614 Y N 0.892 121.227 120.300 0.058 0.000 2.571 614 Y HA -0.036 4.514 4.550 0.000 0.000 0.294 614 Y C 1.975 177.933 175.900 0.097 0.000 1.141 614 Y CA 0.484 58.617 58.100 0.054 0.000 1.308 614 Y CB 0.022 38.611 38.460 0.215 0.000 1.002 614 Y HN 0.079 nan 8.280 nan 0.000 0.551 615 N N -0.769 118.079 118.700 0.246 0.000 2.188 615 N HA -0.137 4.603 4.740 0.000 0.000 0.184 615 N C 1.826 177.462 175.510 0.210 0.000 1.018 615 N CA 1.426 54.612 53.050 0.227 0.000 0.858 615 N CB -0.235 38.214 38.487 -0.063 0.000 0.989 615 N HN 0.195 nan 8.380 nan 0.000 0.426 616 S N 1.114 116.890 115.700 0.127 0.000 2.402 616 S HA -0.031 4.439 4.470 0.000 0.000 0.229 616 S C 1.841 176.519 174.600 0.130 0.000 1.021 616 S CA 0.745 59.016 58.200 0.119 0.000 0.974 616 S CB 0.017 63.257 63.200 0.066 0.000 0.800 616 S HN 0.328 nan 8.310 nan 0.000 0.484 617 Q N 0.455 120.317 119.800 0.103 0.000 2.083 617 Q HA 0.057 4.397 4.340 0.000 0.000 0.198 617 Q C 2.125 178.310 176.000 0.309 0.000 0.969 617 Q CA 0.778 56.672 55.803 0.151 0.000 0.838 617 Q CB -0.518 28.181 28.738 -0.066 0.000 0.900 617 Q HN 0.364 nan 8.270 nan 0.000 0.436 618 L N 0.560 121.965 121.223 0.304 0.000 1.994 618 L HA -0.162 4.178 4.340 0.000 0.000 0.208 618 L C 2.326 179.385 176.870 0.315 0.000 1.071 618 L CA 1.260 56.302 54.840 0.338 0.000 0.745 618 L CB -1.303 40.920 42.059 0.274 0.000 0.892 618 L HN 0.205 nan 8.230 nan 0.000 0.431 619 L N -1.106 120.267 121.223 0.250 0.000 2.042 619 L HA -0.216 4.124 4.340 0.000 0.000 0.210 619 L C 2.744 179.710 176.870 0.159 0.000 1.076 619 L CA 2.078 57.028 54.840 0.183 0.000 0.749 619 L CB -0.886 41.269 42.059 0.160 0.000 0.893 619 L HN 0.370 nan 8.230 nan 0.000 0.432 620 S N -1.436 114.374 115.700 0.182 0.000 2.399 620 S HA -0.236 4.234 4.470 0.000 0.000 0.231 620 S C 2.035 176.759 174.600 0.207 0.000 1.022 620 S CA 1.232 59.530 58.200 0.165 0.000 0.983 620 S CB -0.700 62.601 63.200 0.168 0.000 0.803 620 S HN 0.545 nan 8.310 nan 0.000 0.480 621 F N 2.001 122.012 119.950 0.101 0.000 2.186 621 F HA 0.078 4.605 4.527 0.000 0.000 0.299 621 F C 1.994 177.854 175.800 0.100 0.000 1.090 621 F CA 1.026 59.068 58.000 0.070 0.000 1.307 621 F CB -0.632 38.376 39.000 0.012 0.000 1.019 621 F HN 0.075 nan 8.300 nan 0.000 0.489 622 V N 0.977 120.907 119.914 0.026 0.000 2.515 622 V HA -0.245 3.875 4.120 0.000 0.000 0.250 622 V C 2.641 178.711 176.094 -0.040 0.000 1.058 622 V CA 2.115 64.399 62.300 -0.027 0.000 1.064 622 V CB -0.748 31.114 31.823 0.065 0.000 0.675 622 V HN 0.311 nan 8.190 nan 0.000 0.461 623 R N 0.178 120.673 120.500 -0.009 0.000 2.066 623 R HA -0.148 4.192 4.340 0.000 0.000 0.232 623 R C 1.939 178.225 176.300 -0.023 0.000 1.131 623 R CA 1.734 57.827 56.100 -0.012 0.000 0.955 623 R CB -0.294 30.013 30.300 0.012 0.000 0.851 623 R HN 0.466 nan 8.270 nan 0.000 0.432 624 D N 0.488 120.883 120.400 -0.008 0.000 2.354 624 D HA -0.145 4.495 4.640 0.000 0.000 0.216 624 D C 1.342 177.644 176.300 0.004 0.000 0.970 624 D CA 0.719 54.727 54.000 0.014 0.000 0.905 624 D CB 0.157 41.008 40.800 0.085 0.000 0.903 624 D HN 0.194 nan 8.370 nan 0.000 0.508 625 L N 0.926 122.104 121.223 -0.075 0.000 2.590 625 L HA 0.045 4.385 4.340 0.000 0.000 0.227 625 L C 1.180 178.071 176.870 0.035 0.000 1.099 625 L CA 0.475 55.308 54.840 -0.012 0.000 0.872 625 L CB -0.174 41.753 42.059 -0.221 0.000 1.088 625 L HN -0.045 nan 8.230 nan 0.000 0.479 626 N N -0.588 118.106 118.700 -0.009 0.000 2.396 626 N HA -0.240 4.500 4.740 0.000 0.000 0.180 626 N C 1.526 176.984 175.510 -0.087 0.000 1.028 626 N CA 1.041 54.089 53.050 -0.003 0.000 0.893 626 N CB -0.702 37.783 38.487 -0.002 0.000 0.967 626 N HN 0.615 nan 8.380 nan 0.000 0.440 627 Q N -0.405 119.264 119.800 -0.219 0.000 2.437 627 Q HA -0.126 4.214 4.340 0.000 0.000 0.210 627 Q C 0.226 175.937 176.000 -0.482 0.000 0.972 627 Q CA 0.930 56.501 55.803 -0.387 0.000 0.903 627 Q CB -0.327 28.076 28.738 -0.558 0.000 0.967 627 Q HN 0.611 nan 8.270 nan 0.000 0.486 628 Y N -0.489 119.773 120.300 -0.063 0.000 2.636 628 Y HA 0.378 4.928 4.550 0.000 0.000 0.260 628 Y C 1.518 177.372 175.900 -0.078 0.000 1.177 628 Y CA -0.752 57.292 58.100 -0.095 0.000 1.209 628 Y CB 0.568 38.958 38.460 -0.117 0.000 1.166 628 Y HN 0.002 nan 8.280 nan 0.000 0.531 629 R N 0.412 120.940 120.500 0.047 0.000 2.120 629 R HA -0.136 4.204 4.340 0.000 0.000 0.234 629 R C 2.370 178.680 176.300 0.016 0.000 1.123 629 R CA 1.162 57.286 56.100 0.040 0.000 0.975 629 R CB -0.178 30.146 30.300 0.041 0.000 0.866 629 R HN 0.397 nan 8.270 nan 0.000 0.446 630 A N 1.594 124.410 122.820 -0.005 0.000 1.858 630 A HA -0.210 4.110 4.320 0.000 0.000 0.216 630 A C 1.676 179.241 177.584 -0.032 0.000 1.190 630 A CA 1.749 53.774 52.037 -0.020 0.000 0.617 630 A CB -0.481 18.498 19.000 -0.036 0.000 0.827 630 A HN 0.231 nan 8.150 nan 0.000 0.443 631 D N 0.070 120.442 120.400 -0.047 0.000 2.092 631 D HA -0.159 4.481 4.640 0.000 0.000 0.193 631 D C 1.969 178.213 176.300 -0.093 0.000 0.994 631 D CA 1.517 55.446 54.000 -0.117 0.000 0.828 631 D CB -0.294 40.384 40.800 -0.203 0.000 0.963 631 D HN 0.322 nan 8.370 nan 0.000 0.450 632 I N 1.354 121.899 120.570 -0.042 0.000 2.194 632 I HA -0.230 3.940 4.170 0.000 0.000 0.246 632 I C 2.408 178.548 176.117 0.039 0.000 1.093 632 I CA 1.104 62.422 61.300 0.030 0.000 1.355 632 I CB -0.909 37.138 38.000 0.078 0.000 1.046 632 I HN -0.046 nan 8.210 nan 0.000 0.413 633 K N 1.319 121.730 120.400 0.019 0.000 2.026 633 K HA -0.168 4.152 4.320 0.000 0.000 0.208 633 K C 1.969 178.579 176.600 0.015 0.000 1.048 633 K CA 1.369 57.668 56.287 0.020 0.000 0.929 633 K CB -0.233 32.273 32.500 0.010 0.000 0.713 633 K HN 0.413 nan 8.250 nan 0.000 0.439 634 E N -0.137 120.060 120.200 -0.004 0.000 2.085 634 E HA -0.161 4.189 4.350 0.000 0.000 0.194 634 E C 1.744 178.352 176.600 0.012 0.000 0.994 634 E CA 1.375 57.770 56.400 -0.007 0.000 0.801 634 E CB -0.143 29.535 29.700 -0.036 0.000 0.743 634 E HN 0.289 nan 8.360 nan 0.000 0.453 635 M N -0.349 119.266 119.600 0.025 0.000 2.691 635 M HA 0.081 4.561 4.480 0.000 0.000 0.227 635 M C 0.999 177.343 176.300 0.074 0.000 1.120 635 M CA 0.609 55.948 55.300 0.066 0.000 1.034 635 M CB 0.390 33.060 32.600 0.118 0.000 1.675 635 M HN 0.226 nan 8.290 nan 0.000 0.514 636 G N 1.257 110.091 108.800 0.057 0.000 2.179 636 G HA2 -0.251 3.709 3.960 0.000 0.000 0.257 636 G HA3 -0.251 3.709 3.960 0.000 0.000 0.257 636 G C -0.084 174.863 174.900 0.077 0.000 1.010 636 G CA 0.028 45.163 45.100 0.058 0.000 0.736 636 G HN 0.445 nan 8.290 nan 0.000 0.513 637 L N -0.274 121.007 121.223 0.096 0.000 2.358 637 L HA 0.802 5.142 4.340 0.000 0.000 0.268 637 L C 0.679 177.614 176.870 0.109 0.000 1.032 637 L CA -0.656 54.257 54.840 0.122 0.000 0.805 637 L CB 1.983 44.145 42.059 0.172 0.000 1.253 637 L HN 0.202 nan 8.230 nan 0.000 0.452 638 S N 0.031 115.813 115.700 0.138 0.000 2.607 638 S HA 0.509 4.979 4.470 0.000 0.000 0.303 638 S C -0.048 174.565 174.600 0.021 0.000 1.086 638 S CA -0.482 57.766 58.200 0.079 0.000 0.995 638 S CB 1.493 64.757 63.200 0.107 0.000 1.084 638 S HN 0.457 nan 8.310 nan 0.000 0.507 639 L N 3.018 124.127 121.223 -0.191 0.000 2.693 639 L HA 0.444 4.784 4.340 0.000 0.000 0.235 639 L C 1.922 178.330 176.870 -0.771 0.000 1.127 639 L CA 0.576 55.127 54.840 -0.482 0.000 0.914 639 L CB -0.298 41.329 42.059 -0.719 0.000 1.193 639 L HN 0.643 nan 8.230 nan 0.000 0.502 640 Q N -1.083 118.444 119.800 -0.454 0.000 2.124 640 Q HA -0.194 4.146 4.340 0.000 0.000 0.202 640 Q C 1.746 177.581 176.000 -0.275 0.000 0.977 640 Q CA 2.038 57.621 55.803 -0.365 0.000 0.850 640 Q CB -0.244 28.237 28.738 -0.429 0.000 0.901 640 Q HN 0.539 nan 8.270 nan 0.000 0.429 641 W N -0.638 120.640 121.300 -0.036 0.000 2.418 641 W HA -0.019 4.641 4.660 0.000 0.000 0.292 641 W C 1.807 178.361 176.519 0.059 0.000 1.213 641 W CA 0.287 57.655 57.345 0.039 0.000 1.283 641 W CB -0.649 28.843 29.460 0.052 0.000 1.119 641 W HN 0.178 nan 8.180 nan 0.000 0.542 642 L N -0.703 120.645 121.223 0.208 0.000 2.093 642 L HA -0.134 4.206 4.340 0.000 0.000 0.208 642 L C 2.138 179.173 176.870 0.276 0.000 1.085 642 L CA 1.834 56.793 54.840 0.199 0.000 0.755 642 L CB -1.078 41.066 42.059 0.141 0.000 0.904 642 L HN 0.147 nan 8.230 nan 0.000 0.435 643 Y N -0.297 120.069 120.300 0.110 0.000 2.145 643 Y HA -0.274 4.276 4.550 0.000 0.000 0.286 643 Y C 2.855 178.804 175.900 0.081 0.000 1.145 643 Y CA 0.951 59.095 58.100 0.074 0.000 1.148 643 Y CB -0.411 38.059 38.460 0.018 0.000 0.981 643 Y HN 0.472 nan 8.280 nan 0.000 0.507 644 S N 0.108 115.944 115.700 0.227 0.000 2.474 644 S HA -0.092 4.378 4.470 0.000 0.000 0.235 644 S C 1.899 176.608 174.600 0.182 0.000 0.997 644 S CA 0.545 58.841 58.200 0.159 0.000 0.949 644 S CB -0.326 62.932 63.200 0.097 0.000 0.766 644 S HN 0.364 nan 8.310 nan 0.000 0.517 645 A N 3.343 126.288 122.820 0.208 0.000 1.872 645 A HA -0.009 4.311 4.320 0.000 0.000 0.214 645 A C 2.272 179.992 177.584 0.226 0.000 1.187 645 A CA 1.269 53.414 52.037 0.180 0.000 0.614 645 A CB -0.637 18.455 19.000 0.154 0.000 0.826 645 A HN 0.742 nan 8.150 nan 0.000 0.442 646 R N -0.043 120.611 120.500 0.257 0.000 2.189 646 R HA 0.078 4.418 4.340 0.000 0.000 0.223 646 R C 1.871 178.381 176.300 0.350 0.000 1.092 646 R CA 1.565 57.851 56.100 0.310 0.000 0.989 646 R CB -1.243 29.235 30.300 0.296 0.000 0.876 646 R HN 0.294 nan 8.270 nan 0.000 0.457 647 G N 0.988 109.945 108.800 0.261 0.000 2.414 647 G HA2 -0.222 3.738 3.960 0.000 0.000 0.215 647 G HA3 -0.222 3.738 3.960 0.000 0.000 0.215 647 G C 0.753 175.799 174.900 0.243 0.000 1.188 647 G CA 0.808 46.037 45.100 0.215 0.000 0.783 647 G HN 0.264 nan 8.290 nan 0.000 0.537 648 D N -0.296 120.227 120.400 0.205 0.000 2.218 648 D HA -0.068 4.572 4.640 0.000 0.000 0.204 648 D C 1.829 178.249 176.300 0.200 0.000 0.976 648 D CA 0.297 54.395 54.000 0.164 0.000 0.853 648 D CB -0.214 40.653 40.800 0.111 0.000 0.939 648 D HN 0.283 nan 8.370 nan 0.000 0.481 649 F N -0.202 119.830 119.950 0.137 0.000 2.128 649 F HA -0.046 4.481 4.527 0.000 0.000 0.295 649 F C 2.018 177.920 175.800 0.170 0.000 1.100 649 F CA 0.819 58.894 58.000 0.126 0.000 1.260 649 F CB -0.397 38.702 39.000 0.166 0.000 1.009 649 F HN -0.113 nan 8.300 nan 0.000 0.476 650 F N 0.938 121.029 119.950 0.234 0.000 2.095 650 F HA -0.254 4.273 4.527 0.000 0.000 0.298 650 F C 2.626 178.447 175.800 0.036 0.000 1.104 650 F CA 1.782 59.866 58.000 0.141 0.000 1.232 650 F CB -0.313 38.779 39.000 0.153 0.000 0.987 650 F HN -0.198 nan 8.300 nan 0.000 0.475 651 R N -0.089 120.602 120.500 0.318 0.000 2.103 651 R HA -0.226 4.114 4.340 0.000 0.000 0.242 651 R C 2.393 178.728 176.300 0.058 0.000 1.142 651 R CA 1.353 57.559 56.100 0.176 0.000 0.960 651 R CB -0.863 29.501 30.300 0.107 0.000 0.858 651 R HN 0.395 nan 8.270 nan 0.000 0.439 652 A N 0.689 123.480 122.820 -0.048 0.000 1.902 652 A HA -0.199 4.121 4.320 0.000 0.000 0.217 652 A C 2.303 179.767 177.584 -0.200 0.000 1.181 652 A CA 2.176 54.110 52.037 -0.173 0.000 0.623 652 A CB -1.052 17.763 19.000 -0.308 0.000 0.818 652 A HN 0.557 nan 8.150 nan 0.000 0.443 653 T N -2.646 111.765 114.554 -0.238 0.000 2.746 653 T HA -0.140 4.210 4.350 0.000 0.000 0.267 653 T C 2.022 176.778 174.700 0.093 0.000 1.039 653 T CA 1.933 63.997 62.100 -0.060 0.000 1.142 653 T CB -0.688 68.133 68.868 -0.079 0.000 0.866 653 T HN 0.276 nan 8.240 nan 0.000 0.444 654 S N 1.024 116.767 115.700 0.071 0.000 2.368 654 S HA -0.043 4.427 4.470 0.000 0.000 0.225 654 S C 2.153 176.807 174.600 0.090 0.000 1.030 654 S CA 1.033 59.304 58.200 0.119 0.000 0.999 654 S CB -0.442 62.866 63.200 0.179 0.000 0.844 654 S HN 0.505 nan 8.310 nan 0.000 0.459 655 R N 0.588 121.114 120.500 0.043 0.000 2.096 655 R HA -0.090 4.250 4.340 0.000 0.000 0.235 655 R C 2.284 178.589 176.300 0.009 0.000 1.127 655 R CA 1.228 57.337 56.100 0.014 0.000 0.968 655 R CB -0.455 29.829 30.300 -0.026 0.000 0.861 655 R HN 0.358 nan 8.270 nan 0.000 0.440 656 L N 0.547 121.767 121.223 -0.004 0.000 2.072 656 L HA -0.070 4.270 4.340 0.000 0.000 0.205 656 L C 2.003 179.029 176.870 0.260 0.000 1.079 656 L CA 1.935 56.778 54.840 0.005 0.000 0.752 656 L CB -0.610 41.326 42.059 -0.206 0.000 0.906 656 L HN 0.066 nan 8.230 nan 0.000 0.436 657 T N -1.127 113.623 114.554 0.327 0.000 2.833 657 T HA -0.149 4.201 4.350 0.000 0.000 0.269 657 T C 1.714 176.555 174.700 0.236 0.000 1.054 657 T CA 1.759 64.063 62.100 0.339 0.000 1.135 657 T CB -0.343 68.638 68.868 0.188 0.000 0.869 657 T HN 0.427 nan 8.240 nan 0.000 0.466 658 T N 1.940 116.583 114.554 0.149 0.000 2.701 658 T HA -0.116 4.234 4.350 0.000 0.000 0.263 658 T C 1.734 176.484 174.700 0.083 0.000 1.040 658 T CA 1.217 63.376 62.100 0.098 0.000 1.147 658 T CB -0.476 68.430 68.868 0.063 0.000 0.865 658 T HN 0.326 nan 8.240 nan 0.000 0.426 659 D N 0.466 120.891 120.400 0.041 0.000 2.158 659 D HA -0.070 4.570 4.640 0.000 0.000 0.197 659 D C 1.799 178.067 176.300 -0.053 0.000 0.995 659 D CA 1.003 54.975 54.000 -0.047 0.000 0.846 659 D CB -0.434 40.277 40.800 -0.149 0.000 0.941 659 D HN 0.369 nan 8.370 nan 0.000 0.456 660 F N 1.157 121.107 119.950 0.001 0.000 2.075 660 F HA -0.074 4.453 4.527 0.000 0.000 0.297 660 F C 2.662 178.463 175.800 0.002 0.000 1.113 660 F CA 1.408 59.410 58.000 0.002 0.000 1.218 660 F CB -0.681 38.332 39.000 0.021 0.000 0.984 660 F HN 0.008 nan 8.300 nan 0.000 0.472 661 G N 0.086 109.014 108.800 0.214 0.000 2.529 661 G HA2 -0.310 3.650 3.960 0.000 0.000 0.219 661 G HA3 -0.310 3.650 3.960 0.000 0.000 0.219 661 G C 1.311 176.256 174.900 0.075 0.000 1.177 661 G CA 1.282 46.452 45.100 0.117 0.000 0.773 661 G HN 0.280 nan 8.290 nan 0.000 0.573 662 N N 1.381 120.114 118.700 0.055 0.000 2.515 662 N HA 0.230 4.970 4.740 0.000 0.000 0.191 662 N C 0.541 176.065 175.510 0.022 0.000 1.182 662 N CA 0.594 53.663 53.050 0.032 0.000 0.879 662 N CB 0.203 38.702 38.487 0.021 0.000 0.984 662 N HN 0.402 nan 8.380 nan 0.000 0.453 663 A N 0.737 123.574 122.820 0.028 0.000 2.312 663 A HA 0.454 4.774 4.320 0.000 0.000 0.328 663 A C -0.363 177.240 177.584 0.031 0.000 1.158 663 A CA -0.650 51.394 52.037 0.013 0.000 0.821 663 A CB 0.648 19.631 19.000 -0.028 0.000 1.170 663 A HN 0.055 nan 8.150 nan 0.000 0.490 664 E N 2.266 122.481 120.200 0.025 0.000 2.070 664 E HA 0.206 4.556 4.350 0.000 0.000 0.282 664 E C 0.117 176.736 176.600 0.032 0.000 1.104 664 E CA -0.464 55.953 56.400 0.029 0.000 0.876 664 E CB 0.382 30.099 29.700 0.028 0.000 1.055 664 E HN 0.409 nan 8.360 nan 0.000 0.401 665 K N 1.552 121.973 120.400 0.036 0.000 2.589 665 K HA -0.113 4.207 4.320 0.000 0.000 0.195 665 K C 1.153 177.769 176.600 0.026 0.000 1.040 665 K CA 1.148 57.456 56.287 0.035 0.000 0.950 665 K CB -0.663 31.849 32.500 0.020 0.000 0.781 665 K HN 0.635 nan 8.250 nan 0.000 0.486 666 T N -2.177 112.395 114.554 0.030 0.000 3.051 666 T HA -0.016 4.334 4.350 0.000 0.000 0.255 666 T C 0.732 175.457 174.700 0.042 0.000 1.085 666 T CA -0.171 61.949 62.100 0.034 0.000 1.109 666 T CB 0.076 68.965 68.868 0.035 0.000 0.921 666 T HN -0.068 nan 8.240 nan 0.000 0.488 667 D N 2.832 123.259 120.400 0.045 0.000 2.470 667 D HA 0.075 4.715 4.640 0.000 0.000 0.226 667 D C 1.559 177.905 176.300 0.076 0.000 1.196 667 D CA -0.484 53.554 54.000 0.064 0.000 0.979 667 D CB 0.439 41.279 40.800 0.066 0.000 1.059 667 D HN 0.537 nan 8.370 nan 0.000 0.515 668 R N 1.892 122.440 120.500 0.079 0.000 2.316 668 R HA -0.178 4.162 4.340 0.000 0.000 0.232 668 R C 1.305 177.664 176.300 0.097 0.000 1.137 668 R CA 0.911 57.053 56.100 0.072 0.000 1.012 668 R CB -0.431 29.911 30.300 0.069 0.000 0.859 668 R HN 0.319 nan 8.270 nan 0.000 0.474 669 F N 0.395 120.334 119.950 -0.019 0.000 2.188 669 F HA 0.030 4.557 4.527 0.000 0.000 0.289 669 F C 2.138 177.915 175.800 -0.038 0.000 1.082 669 F CA 0.890 58.875 58.000 -0.026 0.000 1.282 669 F CB -0.363 38.625 39.000 -0.020 0.000 1.060 669 F HN -0.130 nan 8.300 nan 0.000 0.493 670 V N 0.943 120.896 119.914 0.065 0.000 2.594 670 V HA -0.246 3.874 4.120 0.000 0.000 0.253 670 V C 2.082 178.084 176.094 -0.153 0.000 1.069 670 V CA 1.696 63.960 62.300 -0.059 0.000 1.082 670 V CB -0.310 31.518 31.823 0.007 0.000 0.680 670 V HN 0.339 nan 8.190 nan 0.000 0.469 671 M N -0.501 119.040 119.600 -0.099 0.000 2.319 671 M HA -0.041 4.439 4.480 0.000 0.000 0.265 671 M C 2.073 178.297 176.300 -0.128 0.000 1.068 671 M CA 1.582 56.822 55.300 -0.098 0.000 1.118 671 M CB -0.993 31.600 32.600 -0.012 0.000 1.395 671 M HN 0.318 nan 8.290 nan 0.000 0.435 672 K N 1.156 121.454 120.400 -0.169 0.000 2.025 672 K HA -0.140 4.180 4.320 0.000 0.000 0.207 672 K C 1.947 178.412 176.600 -0.226 0.000 1.049 672 K CA 1.595 57.771 56.287 -0.186 0.000 0.933 672 K CB -0.308 32.037 32.500 -0.258 0.000 0.714 672 K HN 0.178 nan 8.250 nan 0.000 0.438 673 K N 0.190 120.393 120.400 -0.329 0.000 2.044 673 K HA -0.153 4.167 4.320 0.000 0.000 0.210 673 K C 2.007 178.451 176.600 -0.259 0.000 1.049 673 K CA 1.801 57.909 56.287 -0.300 0.000 0.927 673 K CB -0.205 32.104 32.500 -0.319 0.000 0.713 673 K HN 0.177 nan 8.250 nan 0.000 0.443 674 L N 0.831 121.864 121.223 -0.316 0.000 2.093 674 L HA -0.160 4.180 4.340 0.000 0.000 0.208 674 L C 2.111 178.844 176.870 -0.229 0.000 1.085 674 L CA 0.860 55.438 54.840 -0.438 0.000 0.755 674 L CB -0.510 40.990 42.059 -0.933 0.000 0.904 674 L HN 0.254 nan 8.230 nan 0.000 0.435 675 N N -0.021 118.621 118.700 -0.097 0.000 2.381 675 N HA -0.156 4.584 4.740 0.000 0.000 0.182 675 N C 1.301 176.770 175.510 -0.068 0.000 1.025 675 N CA 1.042 54.102 53.050 0.016 0.000 0.888 675 N CB -0.200 38.290 38.487 0.005 0.000 0.965 675 N HN 0.330 nan 8.380 nan 0.000 0.438 676 D N 0.951 121.286 120.400 -0.108 0.000 2.117 676 D HA -0.068 4.572 4.640 0.000 0.000 0.198 676 D C 1.959 178.180 176.300 -0.132 0.000 0.982 676 D CA 0.707 54.633 54.000 -0.124 0.000 0.828 676 D CB -0.064 40.660 40.800 -0.126 0.000 0.967 676 D HN 0.254 nan 8.370 nan 0.000 0.464 677 R N 0.579 120.994 120.500 -0.142 0.000 2.127 677 R HA -0.071 4.269 4.340 0.000 0.000 0.238 677 R C 2.317 178.533 176.300 -0.140 0.000 1.134 677 R CA 0.591 56.602 56.100 -0.149 0.000 0.975 677 R CB -0.687 29.489 30.300 -0.206 0.000 0.865 677 R HN 0.184 nan 8.270 nan 0.000 0.447 678 V N 1.438 121.292 119.914 -0.100 0.000 2.379 678 V HA -0.194 3.926 4.120 0.000 0.000 0.245 678 V C 2.415 178.491 176.094 -0.031 0.000 1.044 678 V CA 1.582 63.855 62.300 -0.044 0.000 1.036 678 V CB -0.398 31.474 31.823 0.081 0.000 0.664 678 V HN 0.251 nan 8.190 nan 0.000 0.453 679 M N -0.712 118.840 119.600 -0.081 0.000 2.279 679 M HA -0.123 4.357 4.480 0.000 0.000 0.264 679 M C 2.237 178.473 176.300 -0.107 0.000 1.062 679 M CA 1.532 56.773 55.300 -0.099 0.000 1.099 679 M CB -0.336 32.141 32.600 -0.206 0.000 1.394 679 M HN 0.217 nan 8.290 nan 0.000 0.426 680 R N -0.516 119.909 120.500 -0.126 0.000 2.276 680 R HA 0.013 4.353 4.340 0.000 0.000 0.203 680 R C 1.993 178.226 176.300 -0.111 0.000 1.017 680 R CA 0.375 56.378 56.100 -0.161 0.000 1.010 680 R CB -0.187 30.037 30.300 -0.126 0.000 0.900 680 R HN 0.240 nan 8.270 nan 0.000 0.469 681 V N 1.073 120.958 119.914 -0.048 0.000 2.255 681 V HA -0.268 3.852 4.120 0.000 0.000 0.247 681 V C 2.196 178.185 176.094 -0.176 0.000 1.051 681 V CA 2.102 64.347 62.300 -0.091 0.000 1.018 681 V CB -0.388 31.440 31.823 0.008 0.000 0.641 681 V HN 0.236 nan 8.190 nan 0.000 0.445 682 E N -0.504 119.714 120.200 0.030 0.000 2.077 682 E HA -0.256 4.094 4.350 0.000 0.000 0.193 682 E C 2.036 178.733 176.600 0.162 0.000 0.989 682 E CA 1.599 58.112 56.400 0.188 0.000 0.800 682 E CB -0.499 29.351 29.700 0.250 0.000 0.746 682 E HN 0.699 nan 8.360 nan 0.000 0.452 683 Y N 0.205 120.458 120.300 -0.078 0.000 2.224 683 Y HA -0.212 4.338 4.550 0.000 0.000 0.289 683 Y C 1.833 177.632 175.900 -0.167 0.000 1.146 683 Y CA 2.002 60.027 58.100 -0.126 0.000 1.182 683 Y CB -0.295 38.027 38.460 -0.230 0.000 0.983 683 Y HN 0.221 nan 8.280 nan 0.000 0.524 684 H N -0.883 117.979 119.070 -0.347 0.000 2.563 684 H HA -0.025 4.531 4.556 0.000 0.000 0.272 684 H C 1.124 176.208 175.328 -0.406 0.000 1.005 684 H CA 0.910 56.661 56.048 -0.495 0.000 1.171 684 H CB -0.618 28.908 29.762 -0.393 0.000 1.351 684 H HN 0.491 nan 8.280 nan 0.000 0.602 685 F N 0.089 119.896 119.950 -0.239 0.000 2.727 685 F HA 0.152 4.679 4.527 0.000 0.000 0.302 685 F C 0.679 176.208 175.800 -0.453 0.000 1.097 685 F CA -0.317 57.457 58.000 -0.377 0.000 1.330 685 F CB 0.679 39.380 39.000 -0.498 0.000 1.084 685 F HN -0.088 nan 8.300 nan 0.000 0.578 686 L N 0.504 121.625 121.223 -0.170 0.000 2.331 686 L HA 0.161 4.501 4.340 0.000 0.000 0.278 686 L C 0.809 177.560 176.870 -0.198 0.000 1.106 686 L CA -0.388 54.363 54.840 -0.147 0.000 0.824 686 L CB 1.206 43.167 42.059 -0.162 0.000 1.142 686 L HN -0.111 nan 8.230 nan 0.000 0.443 687 S N 4.729 120.344 115.700 -0.142 0.000 2.525 687 S HA 0.151 4.621 4.470 0.000 0.000 0.285 687 S C -1.376 173.064 174.600 -0.267 0.000 1.283 687 S CA -0.990 57.121 58.200 -0.147 0.000 1.072 687 S CB 0.578 63.742 63.200 -0.060 0.000 0.867 687 S HN 0.473 nan 8.310 nan 0.000 0.492 688 P HA 0.153 nan 4.420 nan 0.000 0.262 688 P C -0.286 176.644 177.300 -0.617 0.000 1.304 688 P CA 0.234 63.002 63.100 -0.554 0.000 0.859 688 P CB -0.165 31.146 31.700 -0.648 0.000 1.310 689 Y N -0.231 120.031 120.300 -0.064 0.000 2.481 689 Y HA 0.168 4.718 4.550 0.000 0.000 0.247 689 Y C 1.399 177.258 175.900 -0.067 0.000 1.151 689 Y CA -0.618 57.451 58.100 -0.053 0.000 1.238 689 Y CB 0.736 39.175 38.460 -0.035 0.000 1.179 689 Y HN -0.196 nan 8.280 nan 0.000 0.524 690 V N -2.673 117.227 119.914 -0.024 0.000 3.046 690 V HA 0.601 4.721 4.120 0.000 0.000 0.316 690 V C 0.007 176.046 176.094 -0.090 0.000 1.104 690 V CA -1.201 61.059 62.300 -0.067 0.000 1.006 690 V CB 1.801 33.513 31.823 -0.186 0.000 1.058 690 V HN -0.049 nan 8.190 nan 0.000 0.440 691 S N 2.249 117.907 115.700 -0.069 0.000 2.474 691 S HA 0.447 4.917 4.470 0.000 0.000 0.276 691 S C -1.552 173.006 174.600 -0.070 0.000 1.227 691 S CA -0.822 57.344 58.200 -0.057 0.000 1.050 691 S CB 0.966 64.145 63.200 -0.034 0.000 0.939 691 S HN 0.768 nan 8.310 nan 0.000 0.490 692 P HA -0.027 nan 4.420 nan 0.000 0.222 692 P C 1.130 178.420 177.300 -0.016 0.000 1.147 692 P CA 0.738 63.832 63.100 -0.011 0.000 0.790 692 P CB 0.193 31.912 31.700 0.031 0.000 0.780 693 K N 0.204 120.590 120.400 -0.023 0.000 2.076 693 K HA -0.084 4.236 4.320 0.000 0.000 0.204 693 K C 1.715 178.274 176.600 -0.069 0.000 1.051 693 K CA 1.201 57.471 56.287 -0.029 0.000 0.949 693 K CB 0.000 32.510 32.500 0.016 0.000 0.726 693 K HN 0.063 nan 8.250 nan 0.000 0.443 694 E N -0.335 119.832 120.200 -0.056 0.000 2.299 694 E HA 0.016 4.366 4.350 0.000 0.000 0.193 694 E C -0.240 176.314 176.600 -0.076 0.000 0.998 694 E CA 0.390 56.756 56.400 -0.057 0.000 0.851 694 E CB 0.589 30.272 29.700 -0.029 0.000 0.795 694 E HN 0.012 nan 8.360 nan 0.000 0.492 695 S N 1.303 116.945 115.700 -0.096 0.000 2.204 695 S HA 0.129 4.599 4.470 0.000 0.000 0.147 695 S C -2.034 172.472 174.600 -0.157 0.000 1.711 695 S CA -0.880 57.261 58.200 -0.097 0.000 1.274 695 S CB 1.143 64.300 63.200 -0.072 0.000 1.257 695 S HN 0.091 nan 8.310 nan 0.000 0.404 696 P HA -0.134 nan 4.420 nan 0.000 0.216 696 P C 0.277 177.565 177.300 -0.020 0.000 1.150 696 P CA 1.087 64.026 63.100 -0.268 0.000 0.843 696 P CB -0.207 31.040 31.700 -0.754 0.000 0.787 697 F N 0.513 120.564 119.950 0.170 0.000 2.659 697 F HA 0.264 4.791 4.527 0.000 0.000 0.360 697 F C 1.901 177.855 175.800 0.256 0.000 1.218 697 F CA -0.770 57.355 58.000 0.208 0.000 1.317 697 F CB -0.297 38.878 39.000 0.292 0.000 1.697 697 F HN -0.239 nan 8.300 nan 0.000 0.637 698 R N -0.852 119.786 120.500 0.229 0.000 2.280 698 R HA -0.107 4.233 4.340 0.000 0.000 0.207 698 R C 0.407 176.816 176.300 0.181 0.000 1.043 698 R CA 0.199 56.304 56.100 0.008 0.000 1.006 698 R CB -0.366 29.868 30.300 -0.110 0.000 0.885 698 R HN 0.427 nan 8.270 nan 0.000 0.467 699 H N 1.000 120.183 119.070 0.189 0.000 3.145 699 H HA -0.028 4.528 4.556 0.000 0.000 0.288 699 H C 1.522 176.912 175.328 0.103 0.000 0.969 699 H CA -0.140 56.008 56.048 0.167 0.000 1.444 699 H CB 0.876 30.776 29.762 0.229 0.000 1.500 699 H HN -0.054 nan 8.280 nan 0.000 0.552 700 V N 2.658 122.449 119.914 -0.205 0.000 3.026 700 V HA -0.161 3.959 4.120 0.000 0.000 0.265 700 V C 1.263 177.037 176.094 -0.533 0.000 1.121 700 V CA 1.450 63.562 62.300 -0.313 0.000 1.142 700 V CB -0.910 30.641 31.823 -0.454 0.000 0.730 700 V HN 0.596 nan 8.190 nan 0.000 0.503 701 F N -0.795 118.859 119.950 -0.494 0.000 2.453 701 F HA 0.316 4.843 4.527 0.000 0.000 0.284 701 F C 1.673 176.908 175.800 -0.942 0.000 1.065 701 F CA 0.695 58.145 58.000 -0.916 0.000 1.411 701 F CB 0.016 38.156 39.000 -1.433 0.000 1.131 701 F HN 0.211 nan 8.300 nan 0.000 0.582 702 W N -0.235 121.390 121.300 0.540 0.000 2.870 702 W HA 0.444 5.104 4.660 0.000 0.000 0.358 702 W C 1.244 177.915 176.519 0.252 0.000 1.043 702 W CA -0.182 57.312 57.345 0.249 0.000 1.692 702 W CB -0.577 28.890 29.460 0.012 0.000 1.100 702 W HN -0.119 nan 8.180 nan 0.000 0.557 703 G N 0.841 109.874 108.800 0.388 0.000 2.504 703 G HA2 0.493 4.453 3.960 0.000 0.000 0.257 703 G HA3 0.493 4.453 3.960 0.000 0.000 0.257 703 G C -0.398 174.741 174.900 0.398 0.000 1.451 703 G CA -0.343 45.025 45.100 0.446 0.000 1.059 703 G HN -0.072 nan 8.290 nan 0.000 0.550 704 S N -1.620 114.349 115.700 0.448 0.000 2.548 704 S HA 0.794 5.264 4.470 0.000 0.000 0.276 704 S C -0.074 174.612 174.600 0.144 0.000 1.129 704 S CA 0.190 58.547 58.200 0.262 0.000 0.931 704 S CB 1.727 65.141 63.200 0.356 0.000 1.068 704 S HN 1.993 nan 8.310 nan 0.000 0.480 705 G N 1.031 109.780 108.800 -0.085 0.000 2.362 705 G HA2 0.108 4.068 3.960 0.000 0.000 0.656 705 G HA3 0.108 4.068 3.960 0.000 0.000 0.656 705 G C 0.448 175.116 174.900 -0.388 0.000 1.376 705 G CA -0.099 44.910 45.100 -0.152 0.000 0.971 705 G HN 1.155 nan 8.290 nan 0.000 0.636 706 S N -0.254 115.357 115.700 -0.148 0.000 2.465 706 S HA -0.194 4.276 4.470 0.000 0.000 0.241 706 S C 1.751 176.258 174.600 -0.155 0.000 1.000 706 S CA 2.074 60.206 58.200 -0.113 0.000 0.964 706 S CB -0.629 62.559 63.200 -0.020 0.000 0.763 706 S HN 1.332 nan 8.310 nan 0.000 0.512 707 H N -0.474 118.585 119.070 -0.018 0.000 2.548 707 H HA 0.194 4.750 4.556 0.000 0.000 0.268 707 H C 0.439 175.715 175.328 -0.086 0.000 0.975 707 H CA 0.647 56.674 56.048 -0.036 0.000 1.195 707 H CB -1.133 28.627 29.762 -0.004 0.000 1.397 707 H HN 0.227 nan 8.280 nan 0.000 0.572 708 T N 1.779 115.995 114.554 -0.564 0.000 2.900 708 T HA 0.046 4.396 4.350 0.000 0.000 0.307 708 T C 1.422 175.938 174.700 -0.307 0.000 1.065 708 T CA -0.462 61.410 62.100 -0.380 0.000 1.105 708 T CB 0.863 69.524 68.868 -0.344 0.000 0.979 708 T HN 0.030 nan 8.240 nan 0.000 0.544 709 L N 4.997 125.963 121.223 -0.428 0.000 2.072 709 L HA 0.104 4.444 4.340 0.000 0.000 0.205 709 L C -0.667 176.106 176.870 -0.162 0.000 1.079 709 L CA 1.574 56.113 54.840 -0.502 0.000 0.752 709 L CB -1.646 39.766 42.059 -1.080 0.000 0.906 709 L HN 0.514 nan 8.230 nan 0.000 0.436 710 P HA -0.130 nan 4.420 nan 0.000 0.216 710 P C 1.554 178.859 177.300 0.009 0.000 1.150 710 P CA 1.721 64.819 63.100 -0.004 0.000 0.837 710 P CB -0.030 31.664 31.700 -0.010 0.000 0.786 711 A N -0.523 122.268 122.820 -0.048 0.000 1.978 711 A HA -0.187 4.133 4.320 0.000 0.000 0.220 711 A C 2.178 179.769 177.584 0.010 0.000 1.170 711 A CA 1.387 53.402 52.037 -0.037 0.000 0.636 711 A CB -1.692 17.246 19.000 -0.103 0.000 0.810 711 A HN 0.218 nan 8.150 nan 0.000 0.448 712 L N -0.727 120.515 121.223 0.031 0.000 2.093 712 L HA -0.101 4.239 4.340 0.000 0.000 0.208 712 L C 2.289 179.244 176.870 0.142 0.000 1.085 712 L CA 1.312 56.227 54.840 0.125 0.000 0.755 712 L CB -0.182 41.967 42.059 0.150 0.000 0.904 712 L HN 0.406 nan 8.230 nan 0.000 0.435 713 L N -0.458 120.828 121.223 0.105 0.000 2.072 713 L HA -0.171 4.169 4.340 0.000 0.000 0.205 713 L C 2.579 179.411 176.870 -0.063 0.000 1.079 713 L CA 1.043 55.884 54.840 0.003 0.000 0.752 713 L CB -0.572 41.568 42.059 0.134 0.000 0.906 713 L HN 0.281 nan 8.230 nan 0.000 0.436 714 E N 0.838 121.049 120.200 0.017 0.000 2.097 714 E HA -0.264 4.086 4.350 0.000 0.000 0.196 714 E C 1.846 178.455 176.600 0.015 0.000 1.000 714 E CA 1.619 58.032 56.400 0.022 0.000 0.804 714 E CB -0.147 29.570 29.700 0.030 0.000 0.740 714 E HN 0.304 nan 8.360 nan 0.000 0.454 715 N N -0.619 118.104 118.700 0.039 0.000 2.080 715 N HA -0.123 4.617 4.740 0.000 0.000 0.189 715 N C 1.558 177.146 175.510 0.131 0.000 1.036 715 N CA 0.944 54.060 53.050 0.110 0.000 0.846 715 N CB -0.461 38.112 38.487 0.142 0.000 1.015 715 N HN 0.162 nan 8.380 nan 0.000 0.423 716 L N 1.724 122.892 121.223 -0.091 0.000 2.081 716 L HA -0.127 4.213 4.340 0.000 0.000 0.212 716 L C 2.215 178.749 176.870 -0.559 0.000 1.080 716 L CA 1.599 56.125 54.840 -0.524 0.000 0.754 716 L CB -0.954 40.508 42.059 -0.995 0.000 0.893 716 L HN 0.319 nan 8.230 nan 0.000 0.433 717 K N -0.723 119.470 120.400 -0.345 0.000 2.147 717 K HA -0.159 4.161 4.320 0.000 0.000 0.205 717 K C 2.043 178.647 176.600 0.007 0.000 1.049 717 K CA 1.116 57.403 56.287 -0.000 0.000 0.936 717 K CB -0.089 32.473 32.500 0.105 0.000 0.722 717 K HN 0.345 nan 8.250 nan 0.000 0.446 718 L N 0.345 121.570 121.223 0.003 0.000 2.201 718 L HA -0.091 4.249 4.340 0.000 0.000 0.212 718 L C 2.597 179.449 176.870 -0.029 0.000 1.105 718 L CA 0.849 55.714 54.840 0.042 0.000 0.775 718 L CB -0.350 41.788 42.059 0.131 0.000 0.913 718 L HN 0.200 nan 8.230 nan 0.000 0.440 719 R N 0.176 120.532 120.500 -0.240 0.000 2.293 719 R HA -0.140 4.200 4.340 0.000 0.000 0.219 719 R C 2.066 178.230 176.300 -0.226 0.000 1.091 719 R CA 0.680 56.496 56.100 -0.474 0.000 1.004 719 R CB 0.142 29.790 30.300 -1.086 0.000 0.865 719 R HN 0.196 nan 8.270 nan 0.000 0.469 720 K N 0.757 121.093 120.400 -0.108 0.000 1.963 720 K HA -0.125 4.195 4.320 0.000 0.000 0.216 720 K C 0.534 177.109 176.600 -0.043 0.000 1.045 720 K CA 1.346 57.602 56.287 -0.052 0.000 0.954 720 K CB -0.480 32.018 32.500 -0.003 0.000 0.732 720 K HN 0.305 nan 8.250 nan 0.000 0.442 721 Q N 2.875 122.664 119.800 -0.019 0.000 2.489 721 Q HA 0.040 4.380 4.340 0.000 0.000 0.231 721 Q C -0.555 175.441 176.000 -0.006 0.000 1.273 721 Q CA -0.255 55.543 55.803 -0.007 0.000 0.898 721 Q CB -0.270 28.472 28.738 0.007 0.000 1.545 721 Q HN 0.153 nan 8.270 nan 0.000 0.538 722 N N 3.673 122.363 118.700 -0.017 0.000 2.695 722 N HA -0.103 4.637 4.740 0.000 0.000 0.315 722 N C -0.898 174.620 175.510 0.014 0.000 1.166 722 N CA 0.798 53.842 53.050 -0.010 0.000 1.166 722 N CB -0.254 38.224 38.487 -0.015 0.000 1.407 722 N HN 0.431 nan 8.380 nan 0.000 0.529 723 N N -0.520 118.197 118.700 0.028 0.000 2.519 723 N HA 0.150 4.890 4.740 0.000 0.000 0.291 723 N C 1.218 176.758 175.510 0.050 0.000 1.107 723 N CA -0.125 52.945 53.050 0.034 0.000 0.904 723 N CB 1.838 40.340 38.487 0.024 0.000 1.500 723 N HN 0.234 nan 8.380 nan 0.000 0.510 724 G N 2.943 111.773 108.800 0.051 0.000 3.191 724 G HA2 -0.510 3.450 3.960 0.000 0.000 0.357 724 G HA3 -0.510 3.450 3.960 0.000 0.000 0.357 724 G C 1.299 176.239 174.900 0.067 0.000 1.651 724 G CA 2.920 48.050 45.100 0.049 0.000 1.737 724 G HN 0.978 nan 8.290 nan 0.000 0.865 725 A N -0.063 122.791 122.820 0.056 0.000 1.670 725 A HA -0.236 4.084 4.320 0.000 0.000 0.312 725 A C 1.480 179.115 177.584 0.085 0.000 3.495 725 A CA 2.616 54.690 52.037 0.062 0.000 0.917 725 A CB -1.226 17.816 19.000 0.070 0.000 0.783 725 A HN 1.804 nan 8.150 nan 0.000 0.530 726 F N 1.563 121.496 119.950 -0.028 0.000 2.593 726 F HA 0.277 4.804 4.527 0.000 0.000 0.393 726 F C 0.429 176.218 175.800 -0.019 0.000 1.037 726 F CA -0.134 57.842 58.000 -0.039 0.000 1.195 726 F CB 0.015 38.976 39.000 -0.066 0.000 1.034 726 F HN 0.361 nan 8.300 nan 0.000 0.552 727 N N 5.716 124.014 118.700 -0.671 0.000 2.546 727 N HA 0.052 4.793 4.740 0.000 0.000 0.238 727 N C 0.795 175.790 175.510 -0.859 0.000 0.984 727 N CA -0.130 52.593 53.050 -0.545 0.000 0.935 727 N CB 0.624 38.950 38.487 -0.269 0.000 1.122 727 N HN 0.905 nan 8.380 nan 0.000 0.510 728 E N 1.868 121.611 120.200 -0.762 0.000 2.031 728 E HA -0.196 4.154 4.350 0.000 0.000 0.193 728 E C 1.047 177.574 176.600 -0.122 0.000 0.994 728 E CA 2.043 58.185 56.400 -0.430 0.000 0.800 728 E CB 0.171 29.864 29.700 -0.011 0.000 0.752 728 E HN 0.725 nan 8.360 nan 0.000 0.447 729 T N 0.128 114.616 114.554 -0.110 0.000 2.788 729 T HA -0.200 4.150 4.350 0.000 0.000 0.268 729 T C 1.940 176.585 174.700 -0.093 0.000 1.044 729 T CA 1.176 63.233 62.100 -0.071 0.000 1.139 729 T CB -0.430 68.398 68.868 -0.067 0.000 0.867 729 T HN 0.191 nan 8.240 nan 0.000 0.454 730 L N 0.409 121.558 121.223 -0.124 0.000 2.046 730 L HA 0.104 4.444 4.340 0.000 0.000 0.208 730 L C 2.168 178.981 176.870 -0.094 0.000 1.077 730 L CA 1.596 56.369 54.840 -0.110 0.000 0.747 730 L CB -1.174 40.813 42.059 -0.120 0.000 0.896 730 L HN 0.283 nan 8.230 nan 0.000 0.432 731 F N 0.726 120.546 119.950 -0.217 0.000 2.102 731 F HA -0.179 4.348 4.527 0.000 0.000 0.298 731 F C 2.523 178.289 175.800 -0.057 0.000 1.105 731 F CA 1.760 59.688 58.000 -0.120 0.000 1.239 731 F CB -0.347 38.610 39.000 -0.072 0.000 0.991 731 F HN 0.038 nan 8.300 nan 0.000 0.474 732 R N 0.201 120.620 120.500 -0.135 0.000 2.127 732 R HA -0.181 4.159 4.340 0.000 0.000 0.238 732 R C 1.951 178.074 176.300 -0.294 0.000 1.134 732 R CA 1.418 57.390 56.100 -0.215 0.000 0.975 732 R CB -0.692 29.590 30.300 -0.030 0.000 0.865 732 R HN 0.406 nan 8.270 nan 0.000 0.447 733 N N 0.839 119.395 118.700 -0.240 0.000 2.207 733 N HA -0.107 4.633 4.740 0.000 0.000 0.182 733 N C 1.780 177.137 175.510 -0.256 0.000 1.020 733 N CA 0.979 53.896 53.050 -0.222 0.000 0.858 733 N CB 0.001 38.390 38.487 -0.165 0.000 0.991 733 N HN 0.336 nan 8.380 nan 0.000 0.427 734 Q N 0.636 120.271 119.800 -0.275 0.000 2.077 734 Q HA -0.172 4.168 4.340 0.000 0.000 0.206 734 Q C 2.089 177.910 176.000 -0.297 0.000 0.989 734 Q CA 1.247 56.901 55.803 -0.249 0.000 0.853 734 Q CB -0.154 28.455 28.738 -0.215 0.000 0.907 734 Q HN 0.199 nan 8.270 nan 0.000 0.418 735 L N 0.411 121.332 121.223 -0.504 0.000 2.005 735 L HA -0.131 4.209 4.340 0.000 0.000 0.207 735 L C 2.215 178.961 176.870 -0.206 0.000 1.072 735 L CA 2.063 56.666 54.840 -0.395 0.000 0.744 735 L CB -0.828 40.865 42.059 -0.610 0.000 0.895 735 L HN 0.151 nan 8.230 nan 0.000 0.433 736 A N -0.515 122.169 122.820 -0.228 0.000 1.917 736 A HA -0.218 4.102 4.320 0.000 0.000 0.219 736 A C 2.247 179.760 177.584 -0.119 0.000 1.182 736 A CA 2.310 54.245 52.037 -0.169 0.000 0.633 736 A CB -0.967 17.901 19.000 -0.219 0.000 0.819 736 A HN 0.523 nan 8.150 nan 0.000 0.448 737 L N -1.287 119.833 121.223 -0.172 0.000 2.095 737 L HA -0.089 4.251 4.340 0.000 0.000 0.204 737 L C 3.108 179.986 176.870 0.013 0.000 1.080 737 L CA 0.916 55.670 54.840 -0.143 0.000 0.759 737 L CB -0.665 41.256 42.059 -0.230 0.000 0.914 737 L HN 0.420 nan 8.230 nan 0.000 0.439 738 A N -0.145 122.645 122.820 -0.049 0.000 1.902 738 A HA -0.199 4.121 4.320 0.000 0.000 0.217 738 A C 2.369 179.940 177.584 -0.021 0.000 1.181 738 A CA 2.359 54.346 52.037 -0.083 0.000 0.623 738 A CB -0.917 17.994 19.000 -0.147 0.000 0.818 738 A HN 0.371 nan 8.150 nan 0.000 0.443 739 T N -1.595 112.984 114.554 0.041 0.000 2.652 739 T HA -0.186 4.164 4.350 0.000 0.000 0.267 739 T C 1.621 176.398 174.700 0.128 0.000 1.039 739 T CA 1.232 63.396 62.100 0.106 0.000 1.153 739 T CB -0.315 68.637 68.868 0.140 0.000 0.863 739 T HN 0.698 nan 8.240 nan 0.000 0.428 740 W N 1.425 122.719 121.300 -0.010 0.000 2.467 740 W HA -0.103 4.557 4.660 0.000 0.000 0.275 740 W C 1.982 178.542 176.519 0.068 0.000 1.239 740 W CA 0.890 58.249 57.345 0.023 0.000 1.266 740 W CB -0.306 29.151 29.460 -0.005 0.000 1.112 740 W HN 0.246 nan 8.180 nan 0.000 0.576 741 T N 1.304 115.922 114.554 0.108 0.000 2.788 741 T HA -0.173 4.177 4.350 0.000 0.000 0.268 741 T C 1.762 176.411 174.700 -0.086 0.000 1.044 741 T CA 1.571 63.692 62.100 0.035 0.000 1.139 741 T CB -0.183 68.723 68.868 0.063 0.000 0.867 741 T HN 0.096 nan 8.240 nan 0.000 0.454 742 I N 0.479 120.997 120.570 -0.086 0.000 2.277 742 I HA -0.109 4.061 4.170 0.000 0.000 0.243 742 I C 2.867 178.907 176.117 -0.129 0.000 1.094 742 I CA 0.884 62.153 61.300 -0.052 0.000 1.393 742 I CB -0.283 37.699 38.000 -0.030 0.000 1.078 742 I HN 0.114 nan 8.210 nan 0.000 0.417 743 Q N 0.686 120.305 119.800 -0.301 0.000 2.135 743 Q HA -0.159 4.181 4.340 0.000 0.000 0.204 743 Q C 2.266 177.923 176.000 -0.572 0.000 0.981 743 Q CA 1.860 57.392 55.803 -0.451 0.000 0.856 743 Q CB -0.542 27.726 28.738 -0.783 0.000 0.902 743 Q HN 0.620 nan 8.270 nan 0.000 0.425 744 G N 0.508 108.850 108.800 -0.763 0.000 2.404 744 G HA2 -0.179 3.781 3.960 0.000 0.000 0.215 744 G HA3 -0.179 3.781 3.960 0.000 0.000 0.215 744 G C 1.550 176.224 174.900 -0.376 0.000 1.174 744 G CA 1.098 45.859 45.100 -0.565 0.000 0.780 744 G HN 0.455 nan 8.290 nan 0.000 0.537 745 A N 1.042 123.694 122.820 -0.280 0.000 1.978 745 A HA 0.229 4.549 4.320 0.000 0.000 0.220 745 A C 2.753 180.298 177.584 -0.065 0.000 1.170 745 A CA 2.310 54.208 52.037 -0.232 0.000 0.636 745 A CB -0.619 18.247 19.000 -0.223 0.000 0.810 745 A HN 0.742 nan 8.150 nan 0.000 0.448 746 A N 0.160 123.007 122.820 0.046 0.000 1.872 746 A HA -0.141 4.179 4.320 0.000 0.000 0.214 746 A C 1.849 179.358 177.584 -0.126 0.000 1.187 746 A CA 1.374 53.440 52.037 0.049 0.000 0.614 746 A CB -0.742 18.348 19.000 0.151 0.000 0.826 746 A HN 0.699 nan 8.150 nan 0.000 0.442 747 N N 0.032 118.629 118.700 -0.170 0.000 2.364 747 N HA -0.059 4.681 4.740 0.000 0.000 0.183 747 N C 1.741 177.127 175.510 -0.205 0.000 1.022 747 N CA 0.735 53.681 53.050 -0.172 0.000 0.883 747 N CB -0.114 38.271 38.487 -0.171 0.000 0.965 747 N HN 0.536 nan 8.380 nan 0.000 0.438 748 A N 0.901 123.562 122.820 -0.264 0.000 1.911 748 A HA 0.024 4.344 4.320 0.000 0.000 0.212 748 A C 2.029 179.473 177.584 -0.233 0.000 1.189 748 A CA 0.341 52.205 52.037 -0.289 0.000 0.639 748 A CB -0.405 18.287 19.000 -0.513 0.000 0.839 748 A HN 0.153 nan 8.150 nan 0.000 0.449 749 L N 1.152 122.230 121.223 -0.241 0.000 2.131 749 L HA -0.121 4.219 4.340 0.000 0.000 0.210 749 L C 2.581 179.294 176.870 -0.262 0.000 1.092 749 L CA 2.540 57.217 54.840 -0.271 0.000 0.759 749 L CB -0.522 41.309 42.059 -0.380 0.000 0.903 749 L HN 0.487 nan 8.230 nan 0.000 0.435 750 S N -0.814 114.753 115.700 -0.222 0.000 2.481 750 S HA 0.261 4.731 4.470 0.000 0.000 0.231 750 S C 1.101 175.595 174.600 -0.176 0.000 0.996 750 S CA 0.247 58.339 58.200 -0.179 0.000 0.942 750 S CB -1.070 62.048 63.200 -0.136 0.000 0.768 750 S HN 0.905 nan 8.310 nan 0.000 0.520 751 G N 0.752 109.431 108.800 -0.202 0.000 2.767 751 G HA2 0.113 4.073 3.960 0.000 0.000 0.686 751 G HA3 0.113 4.073 3.960 0.000 0.000 0.686 751 G C -0.940 173.786 174.900 -0.289 0.000 1.213 751 G CA -0.544 44.424 45.100 -0.220 0.000 0.803 751 G HN 0.576 nan 8.290 nan 0.000 0.603 752 D N -0.510 119.654 120.400 -0.393 0.000 4.812 752 D HA -0.081 4.559 4.640 0.000 0.000 0.234 752 D C 1.881 177.708 176.300 -0.789 0.000 1.107 752 D CA 1.702 55.253 54.000 -0.748 0.000 1.299 752 D CB -0.613 39.656 40.800 -0.885 0.000 0.750 752 D HN 1.723 nan 8.370 nan 0.000 0.391 753 V N 1.617 121.112 119.914 -0.697 0.000 2.252 753 V HA -0.355 3.765 4.120 0.000 0.000 0.255 753 V C 2.167 178.110 176.094 -0.252 0.000 1.071 753 V CA 2.503 64.577 62.300 -0.376 0.000 1.050 753 V CB -1.229 30.468 31.823 -0.209 0.000 0.654 753 V HN 0.800 nan 8.190 nan 0.000 0.448 754 W N 1.374 122.677 121.300 0.004 0.000 2.468 754 W HA 0.082 4.742 4.660 0.000 0.000 0.262 754 W C 1.010 177.532 176.519 0.005 0.000 1.241 754 W CA 0.679 58.028 57.345 0.007 0.000 1.232 754 W CB -1.096 28.367 29.460 0.005 0.000 1.124 754 W HN 0.227 nan 8.180 nan 0.000 0.597 755 D N 1.189 121.559 120.400 -0.050 0.000 2.706 755 D HA 0.215 4.855 4.640 0.000 0.000 0.236 755 D C 0.512 176.800 176.300 -0.020 0.000 1.231 755 D CA 0.102 54.123 54.000 0.035 0.000 0.828 755 D CB -0.221 40.580 40.800 0.002 0.000 1.015 755 D HN 0.220 nan 8.370 nan 0.000 0.484 756 I N 0.000 120.566 120.570 -0.006 0.000 2.984 756 I HA 0.000 4.170 4.170 0.000 0.000 0.288 756 I CA 0.000 61.295 61.300 -0.008 0.000 1.566 756 I CB 0.000 37.991 38.000 -0.015 0.000 1.214 756 I HN 0.000 nan 8.210 nan 0.000 0.494