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_C 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 0.265 0.000 1.165 122 L CA 0.000 54.913 54.840 0.121 0.000 0.813 122 L CB 0.000 42.097 42.059 0.063 0.000 0.961 123 Y N -1.518 118.870 120.300 0.146 0.000 2.549 123 Y HA -0.311 4.239 4.550 0.000 0.000 0.021 123 Y C 1.071 176.993 175.900 0.036 0.000 1.755 123 Y CA 0.065 58.288 58.100 0.204 0.000 1.391 123 Y CB -0.826 37.721 38.460 0.145 0.000 2.040 123 Y HN 0.308 nan 8.280 nan 0.000 0.259 124 W N 4.048 125.393 121.300 0.075 0.000 2.278 124 W HA -0.352 4.308 4.660 0.000 0.000 0.339 124 W C 1.446 177.931 176.519 -0.056 0.000 1.348 124 W CA 2.652 59.948 57.345 -0.082 0.000 1.289 124 W CB -0.217 29.287 29.460 0.073 0.000 1.124 124 W HN 0.844 nan 8.180 nan 0.000 0.469 125 D N 0.188 120.424 120.400 -0.273 0.000 2.158 125 D HA -0.205 4.435 4.640 0.000 0.000 0.197 125 D C 1.600 177.686 176.300 -0.357 0.000 0.995 125 D CA 1.943 55.710 54.000 -0.388 0.000 0.846 125 D CB -0.606 40.133 40.800 -0.101 0.000 0.941 125 D HN 0.311 nan 8.370 nan 0.000 0.456 126 D N 0.301 120.570 120.400 -0.218 0.000 2.103 126 D HA -0.091 4.549 4.640 0.000 0.000 0.199 126 D C 2.321 178.446 176.300 -0.291 0.000 0.978 126 D CA 0.212 54.093 54.000 -0.198 0.000 0.829 126 D CB -0.019 40.716 40.800 -0.107 0.000 0.981 126 D HN 0.132 nan 8.370 nan 0.000 0.464 127 L N 1.497 122.505 121.223 -0.358 0.000 2.017 127 L HA -0.152 4.188 4.340 0.000 0.000 0.208 127 L C 2.391 178.917 176.870 -0.573 0.000 1.073 127 L CA 1.360 55.932 54.840 -0.447 0.000 0.745 127 L CB -1.248 40.532 42.059 -0.466 0.000 0.894 127 L HN 0.085 nan 8.230 nan 0.000 0.432 128 K N 0.163 120.032 120.400 -0.885 0.000 2.059 128 K HA -0.228 4.092 4.320 0.000 0.000 0.212 128 K C 2.254 178.561 176.600 -0.488 0.000 1.050 128 K CA 1.707 57.451 56.287 -0.904 0.000 0.927 128 K CB 0.023 31.789 32.500 -1.223 0.000 0.714 128 K HN 0.245 nan 8.250 nan 0.000 0.447 129 R N 0.197 120.456 120.500 -0.401 0.000 2.066 129 R HA -0.051 4.289 4.340 0.000 0.000 0.232 129 R C 2.465 178.625 176.300 -0.234 0.000 1.131 129 R CA 1.072 57.014 56.100 -0.263 0.000 0.955 129 R CB -0.178 29.996 30.300 -0.210 0.000 0.851 129 R HN 0.090 nan 8.270 nan 0.000 0.432 130 K N 1.089 121.338 120.400 -0.251 0.000 2.020 130 K HA -0.188 4.132 4.320 0.000 0.000 0.212 130 K C 2.148 178.599 176.600 -0.249 0.000 1.050 130 K CA 1.148 57.300 56.287 -0.225 0.000 0.929 130 K CB -0.664 31.698 32.500 -0.230 0.000 0.714 130 K HN 0.101 nan 8.250 nan 0.000 0.443 131 L N 1.176 122.211 121.223 -0.313 0.000 2.012 131 L HA -0.194 4.146 4.340 0.000 0.000 0.210 131 L C 2.488 179.226 176.870 -0.219 0.000 1.073 131 L CA 2.025 56.675 54.840 -0.317 0.000 0.748 131 L CB -0.972 40.885 42.059 -0.337 0.000 0.891 131 L HN 0.128 nan 8.230 nan 0.000 0.431 132 S N -0.457 115.123 115.700 -0.200 0.000 2.359 132 S HA -0.300 4.170 4.470 0.000 0.000 0.222 132 S C 1.923 176.454 174.600 -0.115 0.000 1.038 132 S CA 1.723 59.838 58.200 -0.141 0.000 1.051 132 S CB -0.556 62.560 63.200 -0.139 0.000 0.944 132 S HN 0.789 nan 8.310 nan 0.000 0.433 133 E N 0.565 120.691 120.200 -0.124 0.000 2.058 133 E HA -0.218 4.132 4.350 0.000 0.000 0.194 133 E C 2.068 178.605 176.600 -0.105 0.000 0.997 133 E CA 1.118 57.456 56.400 -0.103 0.000 0.801 133 E CB -0.386 29.252 29.700 -0.104 0.000 0.746 133 E HN 0.288 nan 8.360 nan 0.000 0.450 134 K N 0.920 121.240 120.400 -0.134 0.000 2.059 134 K HA -0.164 4.156 4.320 0.000 0.000 0.212 134 K C 2.354 178.883 176.600 -0.118 0.000 1.050 134 K CA 1.421 57.622 56.287 -0.144 0.000 0.927 134 K CB -0.572 31.810 32.500 -0.195 0.000 0.714 134 K HN 0.300 nan 8.250 nan 0.000 0.447 135 L N 0.734 121.907 121.223 -0.084 0.000 2.012 135 L HA -0.236 4.104 4.340 0.000 0.000 0.210 135 L C 1.922 178.798 176.870 0.010 0.000 1.073 135 L CA 1.598 56.441 54.840 0.004 0.000 0.748 135 L CB -0.625 41.458 42.059 0.040 0.000 0.891 135 L HN 0.170 nan 8.230 nan 0.000 0.431 136 D N -0.397 119.991 120.400 -0.020 0.000 2.190 136 D HA -0.179 4.461 4.640 0.000 0.000 0.200 136 D C 1.944 178.223 176.300 -0.035 0.000 0.992 136 D CA 1.567 55.556 54.000 -0.018 0.000 0.854 136 D CB -0.049 40.730 40.800 -0.036 0.000 0.936 136 D HN 0.348 nan 8.370 nan 0.000 0.462 137 S N -1.168 114.492 115.700 -0.067 0.000 2.597 137 S HA 0.131 4.601 4.470 0.000 0.000 0.224 137 S C 0.402 174.924 174.600 -0.131 0.000 0.955 137 S CA -0.536 57.613 58.200 -0.084 0.000 0.933 137 S CB 0.283 63.432 63.200 -0.085 0.000 0.788 137 S HN -0.120 nan 8.310 nan 0.000 0.488 138 T N 2.770 117.217 114.554 -0.178 0.000 2.795 138 T HA 0.317 4.667 4.350 0.000 0.000 0.282 138 T C -1.027 173.414 174.700 -0.432 0.000 0.980 138 T CA -0.465 61.413 62.100 -0.369 0.000 1.012 138 T CB 1.289 69.807 68.868 -0.582 0.000 0.936 138 T HN 0.186 nan 8.240 nan 0.000 0.457 139 D N 2.590 122.759 120.400 -0.385 0.000 2.443 139 D HA 0.232 4.872 4.640 0.000 0.000 0.221 139 D C 0.158 176.294 176.300 -0.272 0.000 1.097 139 D CA -0.448 53.415 54.000 -0.228 0.000 0.865 139 D CB 0.391 41.128 40.800 -0.105 0.000 1.034 139 D HN 0.395 nan 8.370 nan 0.000 0.511 140 F N 1.001 120.968 119.950 0.029 0.000 2.187 140 F HA -0.090 4.437 4.527 0.000 0.000 0.295 140 F C 2.596 178.434 175.800 0.063 0.000 1.091 140 F CA 0.492 58.520 58.000 0.047 0.000 1.308 140 F CB -0.357 38.673 39.000 0.049 0.000 1.030 140 F HN 0.264 nan 8.300 nan 0.000 0.487 141 T N -0.375 114.331 114.554 0.253 0.000 2.653 141 T HA -0.244 4.106 4.350 0.000 0.000 0.268 141 T C 2.211 176.961 174.700 0.082 0.000 1.035 141 T CA 1.997 64.226 62.100 0.213 0.000 1.154 141 T CB -0.536 68.448 68.868 0.194 0.000 0.862 141 T HN 0.197 nan 8.240 nan 0.000 0.441 142 S N 0.979 116.698 115.700 0.031 0.000 2.359 142 S HA -0.140 4.330 4.470 0.000 0.000 0.224 142 S C 2.410 176.992 174.600 -0.029 0.000 1.035 142 S CA 1.737 59.922 58.200 -0.026 0.000 1.018 142 S CB -0.749 62.439 63.200 -0.020 0.000 0.876 142 S HN 0.624 nan 8.310 nan 0.000 0.448 143 T N 2.750 117.317 114.554 0.023 0.000 2.737 143 T HA 0.045 4.395 4.350 0.000 0.000 0.265 143 T C 1.802 176.519 174.700 0.029 0.000 1.038 143 T CA 1.134 63.261 62.100 0.046 0.000 1.144 143 T CB -0.485 68.444 68.868 0.102 0.000 0.866 143 T HN 0.308 nan 8.240 nan 0.000 0.434 144 I N 1.046 121.663 120.570 0.079 0.000 2.163 144 I HA -0.211 3.959 4.170 0.000 0.000 0.243 144 I C 2.684 178.787 176.117 -0.024 0.000 1.085 144 I CA 1.433 62.795 61.300 0.103 0.000 1.347 144 I CB -0.368 37.782 38.000 0.252 0.000 1.044 144 I HN 0.198 nan 8.210 nan 0.000 0.408 145 K N 1.070 121.311 120.400 -0.265 0.000 2.097 145 K HA -0.168 4.152 4.320 0.000 0.000 0.205 145 K C 2.226 178.681 176.600 -0.241 0.000 1.050 145 K CA 0.961 56.903 56.287 -0.574 0.000 0.938 145 K CB -0.036 31.965 32.500 -0.833 0.000 0.718 145 K HN 0.241 nan 8.250 nan 0.000 0.442 146 L N 1.338 122.473 121.223 -0.146 0.000 2.201 146 L HA -0.105 4.235 4.340 0.000 0.000 0.212 146 L C 1.460 178.295 176.870 -0.059 0.000 1.105 146 L CA 1.534 56.321 54.840 -0.089 0.000 0.775 146 L CB -0.361 41.650 42.059 -0.079 0.000 0.913 146 L HN 0.293 nan 8.230 nan 0.000 0.440 147 L N -0.351 120.820 121.223 -0.086 0.000 2.599 147 L HA -0.014 4.326 4.340 0.000 0.000 0.230 147 L C 1.190 178.083 176.870 0.038 0.000 1.141 147 L CA 0.264 55.044 54.840 -0.100 0.000 0.877 147 L CB -0.325 41.666 42.059 -0.113 0.000 1.009 147 L HN 0.372 nan 8.230 nan 0.000 0.447 148 N N -0.621 118.105 118.700 0.044 0.000 2.200 148 N HA 0.095 4.835 4.740 0.000 0.000 0.224 148 N C -0.247 175.290 175.510 0.045 0.000 1.179 148 N CA -0.183 52.906 53.050 0.066 0.000 0.877 148 N CB 0.924 39.459 38.487 0.080 0.000 1.072 148 N HN 0.374 nan 8.380 nan 0.000 0.519 149 E N 0.792 121.020 120.200 0.047 0.000 2.373 149 E HA 0.130 4.481 4.350 0.000 0.000 0.263 149 E C 0.377 176.941 176.600 -0.060 0.000 1.073 149 E CA -0.446 55.941 56.400 -0.021 0.000 0.894 149 E CB 0.676 30.345 29.700 -0.053 0.000 1.008 149 E HN 0.121 nan 8.360 nan 0.000 0.420 150 N N 1.052 119.701 118.700 -0.084 0.000 2.396 150 N HA -0.192 4.548 4.740 0.000 0.000 0.191 150 N C 1.563 176.962 175.510 -0.185 0.000 1.015 150 N CA 0.854 53.843 53.050 -0.102 0.000 0.893 150 N CB -0.164 38.269 38.487 -0.090 0.000 0.956 150 N HN 0.288 nan 8.380 nan 0.000 0.445 151 S N -0.411 115.090 115.700 -0.331 0.000 2.399 151 S HA -0.094 4.376 4.470 0.000 0.000 0.231 151 S C 0.533 174.690 174.600 -0.738 0.000 1.022 151 S CA 0.965 58.778 58.200 -0.645 0.000 0.983 151 S CB 0.000 62.588 63.200 -1.019 0.000 0.803 151 S HN 0.478 nan 8.310 nan 0.000 0.480 152 Y N -0.148 120.107 120.300 -0.076 0.000 2.738 152 Y HA 0.313 4.863 4.550 0.000 0.000 0.249 152 Y C 1.316 177.186 175.900 -0.050 0.000 1.153 152 Y CA -0.519 57.543 58.100 -0.064 0.000 1.165 152 Y CB -0.673 37.738 38.460 -0.081 0.000 1.235 152 Y HN 0.010 nan 8.280 nan 0.000 0.559 153 V N -0.584 119.355 119.914 0.041 0.000 2.271 153 V HA -0.179 3.941 4.120 0.000 0.000 0.237 153 V C -1.452 174.645 176.094 0.005 0.000 1.007 153 V CA 0.573 62.883 62.300 0.016 0.000 1.007 153 V CB -1.836 29.971 31.823 -0.027 0.000 0.656 153 V HN 0.124 nan 8.190 nan 0.000 0.482 154 P HA 0.318 nan 4.420 nan 0.000 0.292 154 P C -0.842 176.444 177.300 -0.024 0.000 1.326 154 P CA -0.364 62.693 63.100 -0.071 0.000 0.787 154 P CB 0.697 32.307 31.700 -0.149 0.000 0.903 155 R N 2.107 122.613 120.500 0.011 0.000 2.860 155 R HA 0.340 4.680 4.340 0.000 0.000 0.282 155 R C -0.039 176.300 176.300 0.065 0.000 1.408 155 R CA -0.648 55.481 56.100 0.049 0.000 1.636 155 R CB 0.491 30.838 30.300 0.078 0.000 1.187 155 R HN 0.361 nan 8.270 nan 0.000 0.611 156 E N 2.248 122.480 120.200 0.055 0.000 2.384 156 E HA 0.163 4.513 4.350 0.000 0.000 0.266 156 E C -0.243 176.441 176.600 0.140 0.000 1.012 156 E CA -0.259 56.211 56.400 0.117 0.000 0.901 156 E CB 0.821 30.592 29.700 0.118 0.000 0.967 156 E HN 0.602 nan 8.360 nan 0.000 0.435 157 A N 3.313 126.259 122.820 0.210 0.000 2.584 157 A HA 0.282 4.602 4.320 0.000 0.000 0.239 157 A C 1.281 178.902 177.584 0.061 0.000 1.043 157 A CA 0.868 52.989 52.037 0.140 0.000 0.756 157 A CB -0.611 18.482 19.000 0.155 0.000 0.963 157 A HN 1.145 nan 8.150 nan 0.000 0.511 158 G N 1.458 110.287 108.800 0.048 0.000 2.225 158 G HA2 -0.200 3.760 3.960 0.000 0.000 0.254 158 G HA3 -0.200 3.760 3.960 0.000 0.000 0.254 158 G C 0.708 175.634 174.900 0.044 0.000 0.988 158 G CA 1.004 46.125 45.100 0.034 0.000 0.625 158 G HN 2.244 nan 8.290 nan 0.000 0.527 159 S N -0.268 115.463 115.700 0.051 0.000 2.614 159 S HA 0.570 5.040 4.470 0.000 0.000 0.265 159 S C 1.262 175.888 174.600 0.043 0.000 1.303 159 S CA 0.479 58.706 58.200 0.045 0.000 1.000 159 S CB 1.684 64.909 63.200 0.043 0.000 0.935 159 S HN 0.166 nan 8.310 nan 0.000 0.551 160 Q N 1.112 120.932 119.800 0.033 0.000 2.061 160 Q HA -0.103 4.237 4.340 0.000 0.000 0.204 160 Q C 2.018 178.043 176.000 0.043 0.000 0.984 160 Q CA 1.830 57.652 55.803 0.032 0.000 0.846 160 Q CB -0.533 28.215 28.738 0.016 0.000 0.902 160 Q HN 0.795 nan 8.270 nan 0.000 0.421 161 K N 0.554 120.978 120.400 0.039 0.000 2.152 161 K HA -0.193 4.127 4.320 0.000 0.000 0.206 161 K C 1.727 178.402 176.600 0.125 0.000 1.048 161 K CA 1.337 57.668 56.287 0.073 0.000 0.933 161 K CB -0.104 32.426 32.500 0.051 0.000 0.721 161 K HN 0.177 nan 8.250 nan 0.000 0.447 162 D N 1.205 121.656 120.400 0.085 0.000 2.078 162 D HA -0.195 4.445 4.640 0.000 0.000 0.193 162 D C 1.791 178.131 176.300 0.067 0.000 0.990 162 D CA 1.377 55.422 54.000 0.076 0.000 0.827 162 D CB -0.003 40.837 40.800 0.067 0.000 0.975 162 D HN 0.180 nan 8.370 nan 0.000 0.451 163 E N -0.632 119.603 120.200 0.059 0.000 2.118 163 E HA -0.211 4.139 4.350 0.000 0.000 0.195 163 E C 1.830 178.470 176.600 0.067 0.000 0.992 163 E CA 0.995 57.424 56.400 0.048 0.000 0.804 163 E CB 0.045 29.771 29.700 0.043 0.000 0.741 163 E HN 0.241 nan 8.360 nan 0.000 0.458 164 N N 0.578 119.341 118.700 0.106 0.000 2.058 164 N HA -0.172 4.568 4.740 0.000 0.000 0.191 164 N C 1.792 177.449 175.510 0.245 0.000 1.037 164 N CA 0.729 53.879 53.050 0.167 0.000 0.848 164 N CB -0.490 38.094 38.487 0.162 0.000 1.021 164 N HN 0.163 nan 8.380 nan 0.000 0.422 165 L N 1.210 122.567 121.223 0.224 0.000 2.131 165 L HA -0.003 4.337 4.340 0.000 0.000 0.210 165 L C 2.010 178.856 176.870 -0.040 0.000 1.092 165 L CA 1.232 56.039 54.840 -0.053 0.000 0.759 165 L CB -0.945 40.990 42.059 -0.207 0.000 0.903 165 L HN 0.131 nan 8.230 nan 0.000 0.435 166 A N -1.015 121.791 122.820 -0.023 0.000 1.898 166 A HA -0.143 4.177 4.320 0.000 0.000 0.216 166 A C 2.105 179.628 177.584 -0.102 0.000 1.181 166 A CA 1.731 53.716 52.037 -0.086 0.000 0.620 166 A CB -0.717 18.250 19.000 -0.056 0.000 0.819 166 A HN 0.389 nan 8.150 nan 0.000 0.442 167 L N -1.829 119.380 121.223 -0.023 0.000 2.093 167 L HA -0.112 4.228 4.340 0.000 0.000 0.208 167 L C 2.360 179.205 176.870 -0.042 0.000 1.085 167 L CA 1.747 56.571 54.840 -0.027 0.000 0.755 167 L CB -1.133 40.942 42.059 0.027 0.000 0.904 167 L HN 0.604 nan 8.230 nan 0.000 0.435 168 Y N -0.426 119.810 120.300 -0.106 0.000 2.128 168 Y HA -0.253 4.297 4.550 0.000 0.000 0.284 168 Y C 2.387 178.128 175.900 -0.265 0.000 1.154 168 Y CA 1.839 59.859 58.100 -0.132 0.000 1.149 168 Y CB -0.347 38.042 38.460 -0.117 0.000 0.976 168 Y HN -0.053 nan 8.280 nan 0.000 0.505 169 V N 0.769 120.483 119.914 -0.333 0.000 2.358 169 V HA -0.284 3.836 4.120 0.000 0.000 0.246 169 V C 2.347 177.907 176.094 -0.891 0.000 1.047 169 V CA 2.217 64.120 62.300 -0.661 0.000 1.035 169 V CB -0.748 30.725 31.823 -0.584 0.000 0.658 169 V HN 0.505 nan 8.190 nan 0.000 0.452 170 E N 0.159 120.010 120.200 -0.581 0.000 2.204 170 E HA -0.261 4.089 4.350 0.000 0.000 0.195 170 E C 2.132 178.540 176.600 -0.321 0.000 0.990 170 E CA 1.298 57.444 56.400 -0.423 0.000 0.821 170 E CB -0.120 29.453 29.700 -0.211 0.000 0.750 170 E HN 0.609 nan 8.360 nan 0.000 0.477 171 N N -0.310 118.174 118.700 -0.359 0.000 2.290 171 N HA -0.111 4.629 4.740 0.000 0.000 0.179 171 N C 1.744 176.994 175.510 -0.434 0.000 1.016 171 N CA 0.631 53.499 53.050 -0.302 0.000 0.871 171 N CB 0.148 38.487 38.487 -0.247 0.000 0.987 171 N HN 0.205 nan 8.380 nan 0.000 0.431 172 Q N 0.170 119.553 119.800 -0.695 0.000 2.124 172 Q HA -0.081 4.259 4.340 0.000 0.000 0.202 172 Q C 1.985 177.268 176.000 -1.195 0.000 0.977 172 Q CA 0.934 56.141 55.803 -0.993 0.000 0.850 172 Q CB -0.515 27.587 28.738 -1.059 0.000 0.901 172 Q HN 0.533 nan 8.270 nan 0.000 0.429 173 F N 0.655 120.102 119.950 -0.838 0.000 2.134 173 F HA -0.187 4.340 4.527 0.000 0.000 0.299 173 F C 2.566 178.169 175.800 -0.328 0.000 1.097 173 F CA 0.537 58.208 58.000 -0.550 0.000 1.264 173 F CB -0.005 38.830 39.000 -0.275 0.000 1.001 173 F HN 0.132 nan 8.300 nan 0.000 0.479 174 R N 0.422 120.884 120.500 -0.063 0.000 2.081 174 R HA -0.170 4.170 4.340 0.000 0.000 0.235 174 R C 1.956 178.236 176.300 -0.033 0.000 1.131 174 R CA 1.485 57.571 56.100 -0.024 0.000 0.960 174 R CB -0.464 29.816 30.300 -0.033 0.000 0.856 174 R HN 0.355 nan 8.270 nan 0.000 0.436 175 E N 0.203 120.331 120.200 -0.119 0.000 2.085 175 E HA -0.171 4.179 4.350 0.000 0.000 0.194 175 E C 1.658 178.366 176.600 0.181 0.000 0.994 175 E CA 1.173 57.566 56.400 -0.012 0.000 0.801 175 E CB -0.122 29.544 29.700 -0.057 0.000 0.743 175 E HN 0.397 nan 8.360 nan 0.000 0.453 176 F N 0.701 120.650 119.950 -0.002 0.000 2.641 176 F HA -0.030 4.497 4.527 0.000 0.000 0.298 176 F C 0.331 176.125 175.800 -0.010 0.000 1.146 176 F CA -0.005 57.984 58.000 -0.017 0.000 1.464 176 F CB -0.136 38.836 39.000 -0.048 0.000 1.101 176 F HN -0.186 nan 8.300 nan 0.000 0.585 177 K N 1.797 122.297 120.400 0.167 0.000 4.868 177 K HA -0.181 4.139 4.320 0.000 0.000 0.314 177 K C -0.805 175.852 176.600 0.096 0.000 0.932 177 K CA -0.011 56.337 56.287 0.102 0.000 0.998 177 K CB -1.543 31.009 32.500 0.087 0.000 1.704 177 K HN 0.322 nan 8.250 nan 0.000 0.426 178 L N 0.458 121.729 121.223 0.080 0.000 2.360 178 L HA 0.208 4.548 4.340 0.000 0.000 0.271 178 L C 1.851 178.757 176.870 0.060 0.000 1.057 178 L CA -0.687 54.190 54.840 0.060 0.000 0.803 178 L CB 1.590 43.652 42.059 0.004 0.000 1.207 178 L HN 0.298 nan 8.230 nan 0.000 0.445 179 S N 0.301 116.030 115.700 0.048 0.000 2.399 179 S HA -0.237 4.233 4.470 0.000 0.000 0.235 179 S C 0.501 175.119 174.600 0.030 0.000 1.063 179 S CA 1.739 59.948 58.200 0.016 0.000 1.070 179 S CB -0.211 62.979 63.200 -0.017 0.000 0.904 179 S HN 0.619 nan 8.310 nan 0.000 0.456 180 K N -0.798 119.652 120.400 0.084 0.000 2.598 180 K HA 0.488 4.808 4.320 0.000 0.000 0.271 180 K C -2.159 174.625 176.600 0.307 0.000 0.947 180 K CA -0.498 55.867 56.287 0.129 0.000 0.854 180 K CB 2.055 34.569 32.500 0.022 0.000 1.401 180 K HN -0.068 nan 8.250 nan 0.000 0.415 181 V N 5.028 125.151 119.914 0.348 0.000 2.569 181 V HA 0.867 4.987 4.120 0.000 0.000 0.301 181 V C -1.893 174.509 176.094 0.515 0.000 1.044 181 V CA -0.148 62.417 62.300 0.441 0.000 0.874 181 V CB 0.716 32.711 31.823 0.287 0.000 1.002 181 V HN 0.842 nan 8.190 nan 0.000 0.424 182 W N 6.337 127.738 121.300 0.169 0.000 3.060 182 W HA 0.893 5.553 4.660 0.000 0.000 0.346 182 W C -1.077 175.604 176.519 0.270 0.000 1.194 182 W CA -1.100 56.338 57.345 0.155 0.000 1.105 182 W CB 1.187 30.696 29.460 0.083 0.000 1.487 182 W HN 0.781 nan 8.180 nan 0.000 0.592 183 R N 1.293 121.958 120.500 0.274 0.000 2.771 183 R HA 0.523 4.863 4.340 0.000 0.000 0.274 183 R C -1.724 174.782 176.300 0.343 0.000 0.987 183 R CA -0.752 55.463 56.100 0.192 0.000 0.908 183 R CB 2.310 32.670 30.300 0.100 0.000 1.213 183 R HN 0.478 nan 8.270 nan 0.000 0.468 184 D N 1.114 121.766 120.400 0.419 0.000 2.252 184 D HA 0.185 4.825 4.640 0.000 0.000 0.245 184 D C -1.182 175.266 176.300 0.247 0.000 1.009 184 D CA -0.328 53.945 54.000 0.455 0.000 0.870 184 D CB 2.354 43.619 40.800 0.774 0.000 1.251 184 D HN 0.486 nan 8.370 nan 0.000 0.460 185 Q N 2.438 122.324 119.800 0.144 0.000 2.310 185 Q HA 0.279 4.619 4.340 0.000 0.000 0.270 185 Q C -1.367 174.605 176.000 -0.047 0.000 1.025 185 Q CA -0.635 55.185 55.803 0.028 0.000 0.772 185 Q CB 1.221 29.971 28.738 0.021 0.000 1.253 185 Q HN 0.488 nan 8.270 nan 0.000 0.450 186 H N 3.310 122.413 119.070 0.054 0.000 2.622 186 H HA 0.377 4.933 4.556 0.000 0.000 0.363 186 H C -1.239 173.984 175.328 -0.175 0.000 1.151 186 H CA -0.550 55.524 56.048 0.044 0.000 1.184 186 H CB 1.256 31.040 29.762 0.036 0.000 1.643 186 H HN 0.600 nan 8.280 nan 0.000 0.531 187 F N 2.205 122.408 119.950 0.422 0.000 2.347 187 F HA 0.264 4.791 4.527 0.000 0.000 0.366 187 F C 0.390 176.317 175.800 0.212 0.000 1.107 187 F CA -0.771 57.382 58.000 0.254 0.000 1.058 187 F CB 1.154 40.282 39.000 0.212 0.000 1.236 187 F HN 0.207 nan 8.300 nan 0.000 0.456 188 V N 0.185 120.236 119.914 0.229 0.000 3.019 188 V HA 0.628 4.748 4.120 0.000 0.000 0.317 188 V C -0.788 175.348 176.094 0.069 0.000 1.094 188 V CA -1.255 61.129 62.300 0.140 0.000 1.000 188 V CB 2.146 34.003 31.823 0.058 0.000 1.060 188 V HN 0.539 nan 8.190 nan 0.000 0.443 189 K N 3.186 123.642 120.400 0.092 0.000 2.316 189 K HA 0.633 4.953 4.320 0.000 0.000 0.267 189 K C -0.394 176.306 176.600 0.167 0.000 1.025 189 K CA -0.348 55.976 56.287 0.061 0.000 0.896 189 K CB 1.524 34.002 32.500 -0.037 0.000 1.124 189 K HN 0.823 nan 8.250 nan 0.000 0.451 190 I N -1.384 119.179 120.570 -0.011 0.000 3.619 190 I HA 0.436 4.606 4.170 0.000 0.000 0.284 190 I C -0.584 175.486 176.117 -0.080 0.000 1.240 190 I CA -1.054 60.156 61.300 -0.150 0.000 1.016 190 I CB 1.399 38.957 38.000 -0.737 0.000 1.374 190 I HN 0.455 nan 8.210 nan 0.000 0.553 191 Q N 1.329 121.084 119.800 -0.075 0.000 2.323 191 Q HA 0.655 4.995 4.340 0.000 0.000 0.271 191 Q C -1.982 174.141 176.000 0.206 0.000 1.048 191 Q CA -0.658 55.163 55.803 0.030 0.000 0.792 191 Q CB 2.783 31.496 28.738 -0.043 0.000 1.280 191 Q HN 0.682 nan 8.270 nan 0.000 0.441 192 V N 2.367 122.282 119.914 0.002 0.000 3.126 192 V HA 0.480 4.600 4.120 0.000 0.000 0.314 192 V C -0.750 175.086 176.094 -0.429 0.000 1.138 192 V CA -1.040 61.156 62.300 -0.173 0.000 1.034 192 V CB 2.077 33.895 31.823 -0.009 0.000 1.075 192 V HN 0.825 nan 8.190 nan 0.000 0.442 193 K N 0.567 120.607 120.400 -0.600 0.000 2.249 193 K HA 0.422 4.742 4.320 0.000 0.000 0.280 193 K C -0.519 175.983 176.600 -0.163 0.000 1.033 193 K CA -0.448 55.604 56.287 -0.392 0.000 0.946 193 K CB 1.173 33.471 32.500 -0.337 0.000 1.005 193 K HN 0.662 nan 8.250 nan 0.000 0.469 194 D N 1.266 121.600 120.400 -0.111 0.000 2.369 194 D HA -0.079 4.561 4.640 0.000 0.000 0.241 194 D C 1.065 177.344 176.300 -0.035 0.000 1.271 194 D CA 0.155 54.120 54.000 -0.059 0.000 0.942 194 D CB 0.957 41.731 40.800 -0.044 0.000 1.129 194 D HN 0.598 nan 8.370 nan 0.000 0.476 195 S N 0.019 115.707 115.700 -0.021 0.000 2.447 195 S HA 0.008 4.478 4.470 0.000 0.000 0.233 195 S C 0.905 175.502 174.600 -0.004 0.000 1.006 195 S CA 0.288 58.482 58.200 -0.009 0.000 0.957 195 S CB -0.377 62.819 63.200 -0.007 0.000 0.773 195 S HN 0.591 nan 8.310 nan 0.000 0.507 196 A N 1.883 124.698 122.820 -0.007 0.000 2.328 196 A HA 0.450 4.770 4.320 0.000 0.000 0.284 196 A C 0.212 177.796 177.584 0.000 0.000 1.160 196 A CA -0.715 51.321 52.037 -0.002 0.000 0.818 196 A CB 0.227 19.226 19.000 -0.003 0.000 1.087 196 A HN 0.552 nan 8.150 nan 0.000 0.504 197 Q N 1.577 121.383 119.800 0.009 0.000 2.392 197 Q HA 0.080 4.420 4.340 0.000 0.000 0.262 197 Q C -0.239 175.770 176.000 0.015 0.000 1.003 197 Q CA 0.260 56.073 55.803 0.017 0.000 0.888 197 Q CB 0.573 29.326 28.738 0.025 0.000 1.260 197 Q HN 0.822 nan 8.270 nan 0.000 0.435 198 N N 0.124 118.836 118.700 0.021 0.000 2.493 198 N HA 0.354 5.094 4.740 0.000 0.000 0.275 198 N C -0.896 174.627 175.510 0.022 0.000 1.186 198 N CA -0.296 52.765 53.050 0.018 0.000 0.978 198 N CB 1.015 39.517 38.487 0.025 0.000 1.184 198 N HN 0.598 nan 8.380 nan 0.000 0.487 199 S N -0.647 115.062 115.700 0.016 0.000 2.565 199 S HA 0.458 4.928 4.470 0.000 0.000 0.269 199 S C -1.391 173.214 174.600 0.007 0.000 1.153 199 S CA -0.839 57.370 58.200 0.015 0.000 0.835 199 S CB 1.502 64.712 63.200 0.017 0.000 1.122 199 S HN 0.171 nan 8.310 nan 0.000 0.462 200 V N 2.184 122.102 119.914 0.006 0.000 2.407 200 V HA 0.573 4.693 4.120 0.000 0.000 0.291 200 V C -0.874 175.225 176.094 0.008 0.000 1.018 200 V CA -0.405 61.893 62.300 -0.004 0.000 0.842 200 V CB 0.944 32.755 31.823 -0.020 0.000 0.996 200 V HN 0.872 nan 8.190 nan 0.000 0.426 201 I N 5.317 125.893 120.570 0.010 0.000 2.608 201 I HA 0.519 4.689 4.170 0.000 0.000 0.295 201 I C -0.542 175.582 176.117 0.012 0.000 1.049 201 I CA -0.702 60.615 61.300 0.028 0.000 1.063 201 I CB 2.597 40.616 38.000 0.030 0.000 1.248 201 I HN 0.386 nan 8.210 nan 0.000 0.424 202 I N 5.440 126.025 120.570 0.026 0.000 2.371 202 I HA 0.243 4.413 4.170 0.000 0.000 0.290 202 I C -0.462 175.606 176.117 -0.081 0.000 1.028 202 I CA -0.525 60.735 61.300 -0.066 0.000 1.345 202 I CB 1.492 39.383 38.000 -0.181 0.000 1.407 202 I HN 0.190 nan 8.210 nan 0.000 0.501 203 V N 6.024 125.886 119.914 -0.087 0.000 2.334 203 V HA 0.146 4.266 4.120 0.000 0.000 0.281 203 V C -0.211 175.826 176.094 -0.096 0.000 1.016 203 V CA -0.530 61.731 62.300 -0.065 0.000 0.832 203 V CB 1.615 33.419 31.823 -0.032 0.000 0.999 203 V HN 0.594 nan 8.190 nan 0.000 0.439 204 D N 5.461 125.798 120.400 -0.106 0.000 2.374 204 D HA 0.144 4.784 4.640 0.000 0.000 0.240 204 D C 1.318 177.583 176.300 -0.057 0.000 1.229 204 D CA -0.038 53.897 54.000 -0.109 0.000 0.895 204 D CB 0.916 41.648 40.800 -0.112 0.000 1.046 204 D HN 0.382 nan 8.370 nan 0.000 0.498 205 K N 2.708 123.077 120.400 -0.052 0.000 2.052 205 K HA -0.247 4.073 4.320 0.000 0.000 0.215 205 K C 0.734 177.321 176.600 -0.022 0.000 1.053 205 K CA 0.902 57.170 56.287 -0.031 0.000 0.934 205 K CB -0.352 32.131 32.500 -0.028 0.000 0.717 205 K HN 0.520 nan 8.250 nan 0.000 0.450 206 N N -0.091 118.595 118.700 -0.023 0.000 2.421 206 N HA 0.066 4.806 4.740 0.000 0.000 0.260 206 N C 0.066 175.571 175.510 -0.007 0.000 1.173 206 N CA 0.309 53.351 53.050 -0.013 0.000 0.960 206 N CB 0.147 38.627 38.487 -0.012 0.000 1.273 206 N HN 0.368 nan 8.380 nan 0.000 0.497 207 G N 3.454 112.252 108.800 -0.003 0.000 2.142 207 G HA2 -0.260 3.700 3.960 0.000 0.000 0.225 207 G HA3 -0.260 3.700 3.960 0.000 0.000 0.225 207 G C 0.187 175.089 174.900 0.003 0.000 1.015 207 G CA -0.466 44.636 45.100 0.002 0.000 0.716 207 G HN 0.721 nan 8.290 nan 0.000 0.508 208 R N -1.528 118.970 120.500 -0.002 0.000 2.841 208 R HA -0.195 4.145 4.340 0.000 0.000 0.224 208 R C 0.782 177.087 176.300 0.008 0.000 0.809 208 R CA 1.222 57.321 56.100 -0.002 0.000 0.547 208 R CB -1.586 28.715 30.300 0.001 0.000 1.099 208 R HN 0.814 nan 8.270 nan 0.000 0.503 209 L N 0.308 121.537 121.223 0.010 0.000 2.326 209 L HA 0.327 4.667 4.340 0.000 0.000 0.278 209 L C 0.386 177.284 176.870 0.046 0.000 1.092 209 L CA -0.693 54.169 54.840 0.038 0.000 0.810 209 L CB 1.282 43.374 42.059 0.055 0.000 1.153 209 L HN 0.048 nan 8.230 nan 0.000 0.439 210 V N 2.151 122.115 119.914 0.082 0.000 2.483 210 V HA 0.315 4.435 4.120 0.000 0.000 0.295 210 V C -0.036 176.193 176.094 0.225 0.000 1.035 210 V CA -0.551 61.812 62.300 0.104 0.000 0.896 210 V CB 1.229 33.091 31.823 0.065 0.000 0.986 210 V HN 0.757 nan 8.190 nan 0.000 0.447 211 Y N 3.672 123.969 120.300 -0.005 0.000 2.197 211 Y HA 0.514 5.064 4.550 0.000 0.000 0.281 211 Y C 0.951 176.847 175.900 -0.007 0.000 1.099 211 Y CA 0.923 59.019 58.100 -0.006 0.000 1.092 211 Y CB 0.095 38.549 38.460 -0.010 0.000 1.028 211 Y HN 0.773 nan 8.280 nan 0.000 0.489 212 L N -0.746 120.584 121.223 0.179 0.000 1.872 212 L HA -0.160 4.180 4.340 0.000 0.000 0.680 212 L C -0.217 176.689 176.870 0.060 0.000 1.061 212 L CA -0.113 54.776 54.840 0.081 0.000 1.398 212 L CB -1.345 40.743 42.059 0.048 0.000 2.202 212 L HN 0.009 nan 8.230 nan 0.000 1.010 213 V N 1.168 121.116 119.914 0.056 0.000 2.453 213 V HA 0.129 4.249 4.120 0.000 0.000 0.247 213 V C 1.113 177.213 176.094 0.010 0.000 1.048 213 V CA 1.916 64.233 62.300 0.028 0.000 1.049 213 V CB -0.192 31.633 31.823 0.003 0.000 0.672 213 V HN 0.861 nan 8.190 nan 0.000 0.457 214 E N -1.066 119.143 120.200 0.014 0.000 2.419 214 E HA 0.196 4.546 4.350 0.000 0.000 0.285 214 E C -1.494 175.122 176.600 0.026 0.000 1.079 214 E CA -0.483 55.929 56.400 0.020 0.000 0.864 214 E CB 0.994 30.705 29.700 0.018 0.000 1.216 214 E HN 0.327 nan 8.360 nan 0.000 0.428 215 N N 4.156 122.877 118.700 0.036 0.000 2.936 215 N HA 0.296 5.036 4.740 0.000 0.000 0.243 215 N C -2.602 172.945 175.510 0.062 0.000 1.149 215 N CA -1.574 51.501 53.050 0.042 0.000 0.914 215 N CB 1.121 39.632 38.487 0.039 0.000 1.179 215 N HN 0.160 nan 8.380 nan 0.000 0.502 216 P HA -0.056 nan 4.420 nan 0.000 0.263 216 P C 1.007 178.389 177.300 0.136 0.000 1.168 216 P CA 0.203 63.359 63.100 0.095 0.000 0.759 216 P CB 0.790 32.532 31.700 0.069 0.000 0.782 217 G N 2.694 111.603 108.800 0.182 0.000 2.408 217 G HA2 0.065 4.025 3.960 0.000 0.000 0.215 217 G HA3 0.065 4.025 3.960 0.000 0.000 0.215 217 G C 0.817 175.935 174.900 0.363 0.000 1.156 217 G CA 0.575 45.828 45.100 0.255 0.000 0.793 217 G HN 0.680 nan 8.290 nan 0.000 0.535 218 G N -1.080 107.885 108.800 0.275 0.000 2.525 218 G HA2 0.553 4.513 3.960 0.000 0.000 0.287 218 G HA3 0.553 4.513 3.960 0.000 0.000 0.287 218 G C -0.701 174.279 174.900 0.133 0.000 1.350 218 G CA -0.206 44.960 45.100 0.110 0.000 1.039 218 G HN 0.745 nan 8.290 nan 0.000 0.513 219 Y N -3.902 116.280 120.300 -0.197 0.000 2.741 219 Y HA 0.570 5.120 4.550 0.000 0.000 0.339 219 Y C -1.535 174.200 175.900 -0.276 0.000 1.226 219 Y CA -1.483 56.526 58.100 -0.151 0.000 1.072 219 Y CB 1.028 39.485 38.460 -0.005 0.000 1.331 219 Y HN 0.484 nan 8.280 nan 0.000 0.453 220 V N 2.753 122.595 119.914 -0.120 0.000 2.350 220 V HA 0.754 4.874 4.120 0.000 0.000 0.285 220 V C 0.323 176.415 176.094 -0.003 0.000 1.014 220 V CA -0.427 61.696 62.300 -0.294 0.000 0.831 220 V CB 0.666 32.380 31.823 -0.183 0.000 1.000 220 V HN 1.065 nan 8.190 nan 0.000 0.433 221 A N 4.069 126.782 122.820 -0.178 0.000 2.511 221 A HA 0.506 4.826 4.320 0.000 0.000 0.242 221 A C 0.285 177.943 177.584 0.125 0.000 1.069 221 A CA 0.429 52.526 52.037 0.100 0.000 0.763 221 A CB -0.626 18.386 19.000 0.020 0.000 1.001 221 A HN 1.200 nan 8.150 nan 0.000 0.498 222 Y N 0.120 120.611 120.300 0.318 0.000 4.786 222 Y HA -0.240 4.310 4.550 0.000 0.000 0.243 222 Y C 1.118 177.121 175.900 0.172 0.000 1.027 222 Y CA 0.715 58.960 58.100 0.242 0.000 2.052 222 Y CB -1.915 36.696 38.460 0.251 0.000 1.578 222 Y HN 0.942 nan 8.280 nan 0.000 0.655 223 S N 1.177 117.018 115.700 0.236 0.000 2.614 223 S HA 0.328 4.798 4.470 0.000 0.000 0.265 223 S C 0.135 174.820 174.600 0.142 0.000 1.303 223 S CA -0.602 57.689 58.200 0.151 0.000 1.000 223 S CB 1.393 64.652 63.200 0.098 0.000 0.935 223 S HN 0.302 nan 8.310 nan 0.000 0.551 224 K N 1.550 122.011 120.400 0.103 0.000 2.249 224 K HA 0.489 4.809 4.320 0.000 0.000 0.280 224 K C -0.309 176.332 176.600 0.068 0.000 1.033 224 K CA -0.447 55.895 56.287 0.091 0.000 0.946 224 K CB 0.581 33.123 32.500 0.069 0.000 1.005 224 K HN 0.723 nan 8.250 nan 0.000 0.469 225 A N 2.923 125.781 122.820 0.063 0.000 2.396 225 A HA 0.567 4.887 4.320 0.000 0.000 0.279 225 A C -0.549 177.054 177.584 0.032 0.000 1.165 225 A CA 0.175 52.237 52.037 0.041 0.000 0.824 225 A CB -0.076 18.944 19.000 0.034 0.000 1.100 225 A HN 0.887 nan 8.150 nan 0.000 0.516 226 A N 1.735 124.569 122.820 0.024 0.000 2.515 226 A HA 0.798 5.118 4.320 0.000 0.000 0.292 226 A C -0.429 177.164 177.584 0.014 0.000 1.065 226 A CA 0.196 52.244 52.037 0.019 0.000 0.641 226 A CB 0.546 19.559 19.000 0.022 0.000 1.306 226 A HN 1.881 nan 8.150 nan 0.000 0.441 227 T N -0.080 114.480 114.554 0.011 0.000 2.937 227 T HA 0.655 5.005 4.350 0.000 0.000 0.297 227 T C -0.744 173.960 174.700 0.007 0.000 0.991 227 T CA 0.180 62.285 62.100 0.008 0.000 0.990 227 T CB 0.293 69.165 68.868 0.007 0.000 0.991 227 T HN 2.201 nan 8.240 nan 0.000 0.440 228 V N 1.728 121.646 119.914 0.005 0.000 3.102 228 V HA 1.040 5.160 4.120 0.000 0.000 0.312 228 V C -0.367 175.728 176.094 0.002 0.000 1.135 228 V CA -0.522 61.781 62.300 0.005 0.000 1.022 228 V CB 1.634 33.460 31.823 0.006 0.000 1.056 228 V HN 1.139 nan 8.190 nan 0.000 0.436 229 T N -0.105 114.451 114.554 0.002 0.000 2.982 229 T HA 0.897 5.247 4.350 0.000 0.000 0.321 229 T C -0.325 174.375 174.700 0.001 0.000 1.229 229 T CA 0.512 62.612 62.100 -0.001 0.000 1.044 229 T CB 1.145 70.010 68.868 -0.004 0.000 1.184 229 T HN 2.510 nan 8.240 nan 0.000 0.477 230 G N 2.413 111.213 108.800 0.000 0.000 2.335 230 G HA2 0.451 4.411 3.960 0.000 0.000 0.291 230 G HA3 0.451 4.411 3.960 0.000 0.000 0.291 230 G C -1.546 173.358 174.900 0.006 0.000 1.261 230 G CA -0.659 44.444 45.100 0.005 0.000 0.871 230 G HN 0.960 nan 8.290 nan 0.000 0.491 231 K N -0.511 119.899 120.400 0.016 0.000 2.237 231 K HA 0.596 4.916 4.320 0.000 0.000 0.270 231 K C -0.760 175.861 176.600 0.036 0.000 1.015 231 K CA -0.555 55.746 56.287 0.023 0.000 0.949 231 K CB 2.019 34.538 32.500 0.032 0.000 0.976 231 K HN 0.406 nan 8.250 nan 0.000 0.472 232 L N 3.612 124.859 121.223 0.040 0.000 2.272 232 L HA 0.211 4.551 4.340 0.000 0.000 0.284 232 L C -1.158 175.772 176.870 0.100 0.000 1.045 232 L CA -0.487 54.386 54.840 0.054 0.000 0.842 232 L CB 1.127 43.204 42.059 0.030 0.000 1.224 232 L HN 0.523 nan 8.230 nan 0.000 0.430 233 V N 4.167 124.153 119.914 0.119 0.000 2.644 233 V HA 0.296 4.416 4.120 0.000 0.000 0.295 233 V C -0.064 176.155 176.094 0.209 0.000 1.053 233 V CA -0.751 61.651 62.300 0.170 0.000 0.987 233 V CB 1.277 33.203 31.823 0.172 0.000 1.006 233 V HN 0.622 nan 8.190 nan 0.000 0.472 234 H N 3.196 122.373 119.070 0.179 0.000 2.597 234 H HA 0.675 5.231 4.556 0.000 0.000 0.303 234 H C -0.037 175.401 175.328 0.183 0.000 1.057 234 H CA -0.003 56.173 56.048 0.214 0.000 1.261 234 H CB 1.305 31.250 29.762 0.303 0.000 1.397 234 H HN 0.837 nan 8.280 nan 0.000 0.461 235 A N 4.149 126.975 122.820 0.010 0.000 2.298 235 A HA 0.313 4.633 4.320 0.000 0.000 0.302 235 A C -0.108 177.259 177.584 -0.362 0.000 1.177 235 A CA -0.824 51.053 52.037 -0.267 0.000 0.912 235 A CB 0.703 19.182 19.000 -0.868 0.000 1.331 235 A HN 0.862 nan 8.150 nan 0.000 0.504 236 N N -0.790 117.495 118.700 -0.692 0.000 2.448 236 N HA 0.457 5.197 4.740 0.000 0.000 0.279 236 N C -0.564 174.605 175.510 -0.568 0.000 1.025 236 N CA -0.522 51.931 53.050 -0.996 0.000 0.898 236 N CB 0.381 37.680 38.487 -1.979 0.000 1.303 236 N HN 0.644 nan 8.380 nan 0.000 0.495 237 F N 2.188 121.932 119.950 -0.343 0.000 2.742 237 F HA -0.351 4.176 4.527 -0.000 0.000 0.470 237 F C 1.467 177.164 175.800 -0.170 0.000 0.557 237 F CA 0.925 58.797 58.000 -0.213 0.000 0.930 237 F CB -1.192 37.697 39.000 -0.185 0.000 1.616 237 F HN 0.783 nan 8.300 nan 0.000 0.271 238 G N 0.103 108.834 108.800 -0.115 0.000 2.143 238 G HA2 -0.285 3.675 3.960 0.000 0.000 0.249 238 G HA3 -0.285 3.675 3.960 0.000 0.000 0.249 238 G C 0.127 175.106 174.900 0.132 0.000 0.981 238 G CA 0.315 45.379 45.100 -0.061 0.000 0.665 238 G HN 0.493 nan 8.290 nan 0.000 0.528 239 T N -0.047 114.540 114.554 0.055 0.000 2.937 239 T HA 0.170 4.520 4.350 0.000 0.000 0.316 239 T C 1.717 176.534 174.700 0.194 0.000 1.079 239 T CA 0.867 63.028 62.100 0.101 0.000 1.131 239 T CB 1.148 70.049 68.868 0.055 0.000 1.000 239 T HN 0.426 nan 8.240 nan 0.000 0.549 240 K N 2.007 122.513 120.400 0.178 0.000 2.152 240 K HA -0.162 4.158 4.320 0.000 0.000 0.206 240 K C 2.195 178.899 176.600 0.174 0.000 1.048 240 K CA 1.557 57.959 56.287 0.191 0.000 0.933 240 K CB -0.012 32.550 32.500 0.103 0.000 0.721 240 K HN 0.487 nan 8.250 nan 0.000 0.447 241 K N 0.435 120.902 120.400 0.112 0.000 2.062 241 K HA -0.135 4.185 4.320 0.000 0.000 0.205 241 K C 1.283 177.925 176.600 0.070 0.000 1.051 241 K CA 1.982 58.318 56.287 0.083 0.000 0.941 241 K CB 0.026 32.562 32.500 0.059 0.000 0.719 241 K HN 0.086 nan 8.250 nan 0.000 0.440 242 D N 0.141 120.555 120.400 0.023 0.000 2.133 242 D HA -0.176 4.464 4.640 0.000 0.000 0.195 242 D C 1.508 177.768 176.300 -0.067 0.000 0.997 242 D CA 1.396 55.352 54.000 -0.073 0.000 0.840 242 D CB -0.194 40.458 40.800 -0.247 0.000 0.947 242 D HN 0.208 nan 8.370 nan 0.000 0.452 243 F N 0.775 120.742 119.950 0.029 0.000 2.186 243 F HA -0.069 4.458 4.527 0.000 0.000 0.299 243 F C 2.435 178.249 175.800 0.023 0.000 1.090 243 F CA 0.928 58.950 58.000 0.036 0.000 1.307 243 F CB -0.052 38.964 39.000 0.027 0.000 1.019 243 F HN -0.063 nan 8.300 nan 0.000 0.489 244 E N 0.409 120.727 120.200 0.196 0.000 2.038 244 E HA -0.240 4.110 4.350 0.000 0.000 0.195 244 E C 1.049 177.671 176.600 0.036 0.000 1.000 244 E CA 1.690 58.152 56.400 0.103 0.000 0.803 244 E CB -0.077 29.672 29.700 0.081 0.000 0.750 244 E HN 0.279 nan 8.360 nan 0.000 0.448 245 D N 0.347 120.750 120.400 0.006 0.000 2.336 245 D HA 0.054 4.694 4.640 0.000 0.000 0.229 245 D C 0.358 176.516 176.300 -0.238 0.000 1.061 245 D CA 0.178 54.123 54.000 -0.092 0.000 0.875 245 D CB 0.030 40.802 40.800 -0.047 0.000 0.904 245 D HN 0.205 nan 8.370 nan 0.000 0.525 246 L N 0.367 121.531 121.223 -0.099 0.000 2.452 246 L HA -0.003 4.337 4.340 0.000 0.000 0.267 246 L C 1.202 177.971 176.870 -0.168 0.000 1.188 246 L CA -0.332 54.459 54.840 -0.081 0.000 0.821 246 L CB 0.630 42.769 42.059 0.134 0.000 1.102 246 L HN -0.017 nan 8.230 nan 0.000 0.470 247 Y N -0.493 119.863 120.300 0.094 0.000 2.266 247 Y HA 0.029 4.579 4.550 -0.000 0.000 0.294 247 Y C 1.416 177.356 175.900 0.068 0.000 1.127 247 Y CA -0.349 57.789 58.100 0.062 0.000 1.140 247 Y CB -0.632 37.846 38.460 0.030 0.000 1.071 247 Y HN 0.397 nan 8.280 nan 0.000 0.525 248 T N 4.813 119.544 114.554 0.295 0.000 2.870 248 T HA 0.168 4.518 4.350 0.000 0.000 0.300 248 T C -2.328 172.473 174.700 0.168 0.000 0.989 248 T CA -1.230 60.983 62.100 0.189 0.000 1.139 248 T CB 0.666 69.635 68.868 0.169 0.000 0.920 248 T HN 0.031 nan 8.240 nan 0.000 0.537 249 P HA 0.160 nan 4.420 nan 0.000 0.271 249 P C 0.438 177.816 177.300 0.129 0.000 1.216 249 P CA -0.313 62.858 63.100 0.117 0.000 0.776 249 P CB 1.013 32.762 31.700 0.082 0.000 0.881 250 V N 1.303 121.303 119.914 0.144 0.000 3.174 250 V HA -0.071 4.049 4.120 0.000 0.000 0.254 250 V C 1.346 177.487 176.094 0.079 0.000 1.120 250 V CA 0.524 62.914 62.300 0.151 0.000 1.114 250 V CB -1.391 30.569 31.823 0.228 0.000 0.756 250 V HN 0.704 nan 8.190 nan 0.000 0.467 251 N N 1.836 120.567 118.700 0.051 0.000 2.131 251 N HA 0.045 4.785 4.740 0.000 0.000 0.276 251 N C 1.181 176.709 175.510 0.030 0.000 1.295 251 N CA 1.453 54.518 53.050 0.026 0.000 0.818 251 N CB 0.215 38.717 38.487 0.024 0.000 1.049 251 N HN 0.454 nan 8.380 nan 0.000 0.484 252 G N 1.553 110.364 108.800 0.019 0.000 2.196 252 G HA2 -0.271 3.689 3.960 0.000 0.000 0.268 252 G HA3 -0.271 3.689 3.960 0.000 0.000 0.268 252 G C -0.001 174.914 174.900 0.026 0.000 0.975 252 G CA 0.900 46.012 45.100 0.019 0.000 0.648 252 G HN 1.234 nan 8.290 nan 0.000 0.538 253 S N -1.096 114.626 115.700 0.037 0.000 2.709 253 S HA 0.809 5.279 4.470 0.000 0.000 0.302 253 S C -0.065 174.563 174.600 0.047 0.000 1.127 253 S CA -1.132 57.093 58.200 0.042 0.000 0.905 253 S CB 2.191 65.424 63.200 0.055 0.000 1.151 253 S HN 0.453 nan 8.310 nan 0.000 0.510 254 I N 1.377 121.972 120.570 0.041 0.000 2.519 254 I HA 0.346 4.516 4.170 0.000 0.000 0.287 254 I C -0.664 175.490 176.117 0.061 0.000 1.047 254 I CA -0.615 60.707 61.300 0.037 0.000 1.381 254 I CB 1.142 39.152 38.000 0.017 0.000 1.417 254 I HN 0.329 nan 8.210 nan 0.000 0.540 255 V N 7.154 127.108 119.914 0.067 0.000 2.667 255 V HA 0.463 4.583 4.120 0.000 0.000 0.308 255 V C -0.187 175.918 176.094 0.019 0.000 1.048 255 V CA -0.722 61.632 62.300 0.090 0.000 0.928 255 V CB 2.196 34.137 31.823 0.197 0.000 1.004 255 V HN 0.525 nan 8.190 nan 0.000 0.444 256 I N 5.295 125.846 120.570 -0.032 0.000 2.465 256 I HA 0.792 4.962 4.170 0.000 0.000 0.291 256 I C -0.846 175.134 176.117 -0.229 0.000 1.014 256 I CA -0.523 60.722 61.300 -0.090 0.000 1.093 256 I CB 1.633 39.584 38.000 -0.083 0.000 1.267 256 I HN 0.584 nan 8.210 nan 0.000 0.431 257 V N 3.904 123.750 119.914 -0.113 0.000 3.130 257 V HA 0.649 4.769 4.120 0.000 0.000 0.310 257 V C -0.642 175.351 176.094 -0.169 0.000 1.158 257 V CA -1.079 61.105 62.300 -0.193 0.000 1.029 257 V CB 1.869 33.598 31.823 -0.157 0.000 1.057 257 V HN 0.748 nan 8.190 nan 0.000 0.436 258 R N 1.182 121.503 120.500 -0.298 0.000 2.459 258 R HA 0.755 5.095 4.340 0.000 0.000 0.281 258 R C 0.192 176.492 176.300 -0.000 0.000 1.050 258 R CA 0.017 55.874 56.100 -0.404 0.000 1.055 258 R CB 1.708 31.745 30.300 -0.438 0.000 1.045 258 R HN 1.111 nan 8.270 nan 0.000 0.495 259 A N 1.272 124.067 122.820 -0.041 0.000 2.407 259 A HA 0.566 4.886 4.320 0.000 0.000 0.248 259 A C 0.521 178.357 177.584 0.420 0.000 1.082 259 A CA 0.700 52.849 52.037 0.187 0.000 0.785 259 A CB 0.312 19.319 19.000 0.011 0.000 1.020 259 A HN 0.869 nan 8.150 nan 0.000 0.489 260 G N 0.637 109.625 108.800 0.314 0.000 2.381 260 G HA2 0.320 4.280 3.960 0.000 0.000 0.672 260 G HA3 0.320 4.280 3.960 0.000 0.000 0.672 260 G C 0.185 174.931 174.900 -0.258 0.000 1.324 260 G CA 0.028 45.170 45.100 0.071 0.000 0.975 260 G HN 1.225 nan 8.290 nan 0.000 0.593 261 K N -2.381 117.765 120.400 -0.423 0.000 5.625 261 K HA -0.306 4.014 4.320 0.000 0.000 0.420 261 K C 1.248 177.725 176.600 -0.205 0.000 0.485 261 K CA 2.772 58.805 56.287 -0.423 0.000 1.772 261 K CB -1.902 30.165 32.500 -0.721 0.000 1.074 261 K HN 1.880 nan 8.250 nan 0.000 0.653 262 I N -3.552 116.944 120.570 -0.125 0.000 3.354 262 I HA 0.394 4.564 4.170 0.000 0.000 0.316 262 I C -0.027 176.083 176.117 -0.012 0.000 1.182 262 I CA -1.026 60.237 61.300 -0.061 0.000 0.942 262 I CB 2.072 40.055 38.000 -0.030 0.000 1.299 262 I HN -0.132 nan 8.210 nan 0.000 0.473 263 T N 1.465 115.994 114.554 -0.042 0.000 2.898 263 T HA 0.305 4.655 4.350 0.000 0.000 0.301 263 T C 0.874 175.629 174.700 0.092 0.000 1.049 263 T CA 0.083 62.144 62.100 -0.064 0.000 1.095 263 T CB 0.525 69.303 68.868 -0.150 0.000 0.976 263 T HN 0.466 nan 8.240 nan 0.000 0.539 264 F N 0.853 120.686 119.950 -0.195 0.000 2.069 264 F HA -0.163 4.364 4.527 0.000 0.000 0.298 264 F C 2.831 178.537 175.800 -0.157 0.000 1.113 264 F CA 0.662 58.551 58.000 -0.186 0.000 1.214 264 F CB -0.411 38.419 39.000 -0.282 0.000 0.978 264 F HN 0.680 nan 8.300 nan 0.000 0.474 265 A N 0.306 123.128 122.820 0.003 0.000 1.948 265 A HA -0.261 4.059 4.320 0.000 0.000 0.220 265 A C 1.925 179.500 177.584 -0.015 0.000 1.177 265 A CA 2.131 54.148 52.037 -0.034 0.000 0.636 265 A CB -0.812 18.121 19.000 -0.112 0.000 0.815 265 A HN 0.480 nan 8.150 nan 0.000 0.449 266 E N -0.310 119.879 120.200 -0.018 0.000 2.047 266 E HA -0.174 4.176 4.350 0.000 0.000 0.191 266 E C 2.100 178.724 176.600 0.040 0.000 0.987 266 E CA 1.329 57.728 56.400 -0.003 0.000 0.799 266 E CB -0.169 29.522 29.700 -0.015 0.000 0.752 266 E HN 0.625 nan 8.360 nan 0.000 0.449 267 K N 0.616 121.057 120.400 0.068 0.000 2.001 267 K HA -0.166 4.154 4.320 0.000 0.000 0.214 267 K C 2.226 178.877 176.600 0.085 0.000 1.050 267 K CA 1.585 57.937 56.287 0.109 0.000 0.934 267 K CB -0.401 32.142 32.500 0.071 0.000 0.718 267 K HN -0.039 nan 8.250 nan 0.000 0.443 268 V N 1.373 121.307 119.914 0.032 0.000 2.392 268 V HA -0.287 3.833 4.120 0.000 0.000 0.249 268 V C 2.321 178.410 176.094 -0.008 0.000 1.059 268 V CA 2.096 64.401 62.300 0.009 0.000 1.051 268 V CB -0.771 31.054 31.823 0.004 0.000 0.658 268 V HN 0.429 nan 8.190 nan 0.000 0.455 269 A N 0.009 122.826 122.820 -0.006 0.000 1.968 269 A HA -0.160 4.160 4.320 0.000 0.000 0.217 269 A C 2.080 179.626 177.584 -0.064 0.000 1.169 269 A CA 1.635 53.657 52.037 -0.025 0.000 0.638 269 A CB -0.498 18.493 19.000 -0.015 0.000 0.812 269 A HN 0.585 nan 8.150 nan 0.000 0.446 270 N N 0.542 119.205 118.700 -0.061 0.000 2.171 270 N HA -0.054 4.686 4.740 0.000 0.000 0.184 270 N C 1.941 177.184 175.510 -0.446 0.000 1.021 270 N CA 1.465 54.421 53.050 -0.156 0.000 0.854 270 N CB -0.540 37.955 38.487 0.013 0.000 0.994 270 N HN 0.437 nan 8.380 nan 0.000 0.426 271 A N 1.239 123.835 122.820 -0.374 0.000 1.877 271 A HA -0.171 4.149 4.320 0.000 0.000 0.216 271 A C 2.134 179.550 177.584 -0.279 0.000 1.186 271 A CA 1.636 53.396 52.037 -0.460 0.000 0.620 271 A CB -0.674 18.292 19.000 -0.056 0.000 0.822 271 A HN 0.415 nan 8.150 nan 0.000 0.443 272 E N 0.442 120.551 120.200 -0.152 0.000 2.160 272 E HA -0.179 4.171 4.350 0.000 0.000 0.195 272 E C 2.001 178.537 176.600 -0.107 0.000 0.991 272 E CA 1.496 57.839 56.400 -0.096 0.000 0.810 272 E CB -0.122 29.547 29.700 -0.050 0.000 0.742 272 E HN 0.743 nan 8.360 nan 0.000 0.466 273 S N -0.189 115.428 115.700 -0.138 0.000 2.481 273 S HA -0.032 4.439 4.470 0.000 0.000 0.231 273 S C 1.549 176.070 174.600 -0.130 0.000 0.996 273 S CA 0.393 58.525 58.200 -0.113 0.000 0.942 273 S CB -0.025 63.112 63.200 -0.105 0.000 0.768 273 S HN 0.298 nan 8.310 nan 0.000 0.520 274 L N 1.190 122.294 121.223 -0.198 0.000 2.818 274 L HA 0.344 4.684 4.340 0.000 0.000 0.243 274 L C 0.189 176.996 176.870 -0.105 0.000 1.185 274 L CA -0.273 54.463 54.840 -0.173 0.000 0.988 274 L CB -0.580 41.300 42.059 -0.298 0.000 1.292 274 L HN 0.202 nan 8.230 nan 0.000 0.519 275 N N -0.002 118.647 118.700 -0.084 0.000 2.753 275 N HA -0.174 4.566 4.740 0.000 0.000 0.251 275 N C 0.544 176.035 175.510 -0.033 0.000 1.097 275 N CA 0.916 53.939 53.050 -0.046 0.000 0.786 275 N CB -0.753 37.719 38.487 -0.025 0.000 1.137 275 N HN 0.468 nan 8.380 nan 0.000 0.566 276 A N 0.379 123.169 122.820 -0.050 0.000 2.387 276 A HA 0.560 4.880 4.320 0.000 0.000 0.251 276 A C 0.641 178.221 177.584 -0.007 0.000 1.113 276 A CA 0.304 52.334 52.037 -0.012 0.000 0.794 276 A CB 0.405 19.401 19.000 -0.006 0.000 1.069 276 A HN 0.282 nan 8.150 nan 0.000 0.506 277 I N 0.195 120.771 120.570 0.009 0.000 2.478 277 I HA 0.556 4.726 4.170 0.000 0.000 0.287 277 I C 0.519 176.641 176.117 0.009 0.000 1.042 277 I CA -0.001 61.303 61.300 0.007 0.000 1.067 277 I CB 1.395 39.401 38.000 0.009 0.000 1.233 277 I HN 1.209 nan 8.210 nan 0.000 0.431 278 G N 4.137 112.940 108.800 0.005 0.000 2.801 278 G HA2 -0.006 3.954 3.960 0.000 0.000 0.686 278 G HA3 -0.006 3.954 3.960 0.000 0.000 0.686 278 G C -1.098 173.801 174.900 -0.002 0.000 1.507 278 G CA -0.886 44.213 45.100 -0.001 0.000 0.980 278 G HN 0.582 nan 8.290 nan 0.000 0.589 279 V N 2.426 122.327 119.914 -0.023 0.000 2.808 279 V HA 0.653 4.773 4.120 0.000 0.000 0.308 279 V C 0.267 176.315 176.094 -0.077 0.000 1.099 279 V CA -0.798 61.481 62.300 -0.035 0.000 0.920 279 V CB 1.972 33.768 31.823 -0.046 0.000 1.014 279 V HN 0.811 nan 8.190 nan 0.000 0.425 280 L N 5.361 126.540 121.223 -0.073 0.000 2.322 280 L HA 0.667 5.007 4.340 0.000 0.000 0.281 280 L C -0.821 175.998 176.870 -0.084 0.000 1.014 280 L CA -0.476 54.312 54.840 -0.087 0.000 0.815 280 L CB 1.900 43.919 42.059 -0.066 0.000 1.247 280 L HN 0.462 nan 8.230 nan 0.000 0.421 281 I N 3.226 123.711 120.570 -0.142 0.000 2.530 281 I HA 0.495 4.665 4.170 0.000 0.000 0.297 281 I C -0.915 175.313 176.117 0.185 0.000 1.011 281 I CA -0.792 60.428 61.300 -0.133 0.000 1.107 281 I CB 1.914 39.562 38.000 -0.587 0.000 1.285 281 I HN 0.539 nan 8.210 nan 0.000 0.436 282 Y N 3.203 123.556 120.300 0.089 0.000 2.655 282 Y HA 0.710 5.260 4.550 0.000 0.000 0.336 282 Y C -1.612 174.219 175.900 -0.115 0.000 1.154 282 Y CA -1.498 56.669 58.100 0.112 0.000 1.055 282 Y CB 1.659 40.132 38.460 0.022 0.000 1.295 282 Y HN 0.333 nan 8.280 nan 0.000 0.465 283 M N 4.336 123.681 119.600 -0.425 0.000 2.047 283 M HA 0.219 4.699 4.480 0.000 0.000 0.342 283 M C -1.170 175.042 176.300 -0.147 0.000 1.058 283 M CA -0.748 54.135 55.300 -0.694 0.000 0.991 283 M CB 0.908 32.867 32.600 -1.069 0.000 1.474 283 M HN 0.710 nan 8.290 nan 0.000 0.419 284 D N 2.500 122.856 120.400 -0.074 0.000 2.382 284 D HA -0.062 4.578 4.640 0.000 0.000 0.240 284 D C 0.450 176.893 176.300 0.239 0.000 1.146 284 D CA -0.168 53.971 54.000 0.232 0.000 0.897 284 D CB 1.236 42.166 40.800 0.216 0.000 1.197 284 D HN 0.711 nan 8.370 nan 0.000 0.432 285 Q N 1.006 120.933 119.800 0.211 0.000 2.226 285 Q HA -0.140 4.200 4.340 0.000 0.000 0.204 285 Q C 1.274 177.352 176.000 0.129 0.000 0.975 285 Q CA 1.400 57.299 55.803 0.159 0.000 0.866 285 Q CB 0.104 28.918 28.738 0.128 0.000 0.915 285 Q HN 0.620 nan 8.270 nan 0.000 0.440 286 T N 0.786 115.417 114.554 0.128 0.000 2.612 286 T HA -0.101 4.249 4.350 0.000 0.000 0.259 286 T C 1.664 176.396 174.700 0.053 0.000 1.065 286 T CA 1.055 63.205 62.100 0.084 0.000 1.167 286 T CB -0.072 68.848 68.868 0.087 0.000 0.863 286 T HN 0.154 nan 8.240 nan 0.000 0.407 287 K N 0.436 120.888 120.400 0.088 0.000 2.097 287 K HA 0.006 4.326 4.320 0.000 0.000 0.206 287 K C 0.123 176.495 176.600 -0.379 0.000 1.049 287 K CA 0.992 57.226 56.287 -0.088 0.000 0.933 287 K CB -0.275 32.258 32.500 0.054 0.000 0.717 287 K HN 0.365 nan 8.250 nan 0.000 0.442 288 F N 1.778 121.709 119.950 -0.031 0.000 2.449 288 F HA 0.232 4.759 4.527 0.000 0.000 0.344 288 F C -2.081 173.687 175.800 -0.053 0.000 1.180 288 F CA -2.729 55.226 58.000 -0.075 0.000 1.209 288 F CB 1.169 40.106 39.000 -0.105 0.000 1.440 288 F HN -0.140 nan 8.300 nan 0.000 0.526 289 P HA 0.064 nan 4.420 nan 0.000 0.244 289 P C -0.184 177.145 177.300 0.049 0.000 1.723 289 P CA 0.395 63.519 63.100 0.039 0.000 1.110 289 P CB -0.215 31.482 31.700 -0.004 0.000 1.972 290 I N -1.216 119.414 120.570 0.100 0.000 2.498 290 I HA 0.285 4.455 4.170 0.000 0.000 0.301 290 I C 1.139 177.326 176.117 0.116 0.000 0.984 290 I CA -0.996 60.392 61.300 0.146 0.000 1.204 290 I CB 1.669 39.786 38.000 0.195 0.000 1.362 290 I HN -0.213 nan 8.210 nan 0.000 0.471 291 V N 3.062 123.045 119.914 0.115 0.000 2.239 291 V HA -0.170 3.950 4.120 0.000 0.000 0.242 291 V C 1.229 177.365 176.094 0.071 0.000 1.038 291 V CA 1.549 63.897 62.300 0.080 0.000 1.002 291 V CB -0.920 30.943 31.823 0.066 0.000 0.641 291 V HN 0.959 nan 8.190 nan 0.000 0.449 292 N N 1.070 119.811 118.700 0.068 0.000 2.427 292 N HA 0.131 4.871 4.740 0.000 0.000 0.269 292 N C 0.478 176.028 175.510 0.067 0.000 1.235 292 N CA 0.745 53.830 53.050 0.058 0.000 0.934 292 N CB 1.220 39.735 38.487 0.046 0.000 1.121 292 N HN 0.324 nan 8.380 nan 0.000 0.480 293 A N 3.844 126.701 122.820 0.062 0.000 2.218 293 A HA 0.057 4.377 4.320 0.000 0.000 0.209 293 A C 1.333 178.954 177.584 0.062 0.000 1.168 293 A CA 0.360 52.437 52.037 0.065 0.000 0.804 293 A CB -0.034 19.006 19.000 0.066 0.000 0.834 293 A HN 0.708 nan 8.150 nan 0.000 0.482 294 E N -0.612 119.625 120.200 0.061 0.000 2.489 294 E HA 0.045 4.395 4.350 0.000 0.000 0.193 294 E C 0.050 176.704 176.600 0.090 0.000 1.057 294 E CA -0.206 56.234 56.400 0.067 0.000 0.866 294 E CB -0.118 29.617 29.700 0.058 0.000 0.916 294 E HN 0.505 nan 8.360 nan 0.000 0.500 295 L N 2.449 123.725 121.223 0.089 0.000 2.513 295 L HA -0.016 4.324 4.340 0.000 0.000 0.272 295 L C 0.247 177.215 176.870 0.164 0.000 1.187 295 L CA 0.103 55.013 54.840 0.117 0.000 0.895 295 L CB 0.502 42.618 42.059 0.094 0.000 1.147 295 L HN -0.125 nan 8.230 nan 0.000 0.483 296 S N 4.949 120.805 115.700 0.260 0.000 2.718 296 S HA 0.849 5.319 4.470 0.000 0.000 0.300 296 S C -0.440 174.481 174.600 0.536 0.000 1.117 296 S CA -0.690 57.745 58.200 0.391 0.000 1.002 296 S CB 1.383 64.779 63.200 0.328 0.000 1.092 296 S HN 0.618 nan 8.310 nan 0.000 0.542 297 F N -1.558 118.421 119.950 0.048 0.000 2.664 297 F HA 0.850 5.377 4.527 0.000 0.000 0.317 297 F C -1.208 174.389 175.800 -0.338 0.000 1.108 297 F CA -1.761 56.217 58.000 -0.035 0.000 0.957 297 F CB 1.136 40.154 39.000 0.031 0.000 1.365 297 F HN 0.626 nan 8.300 nan 0.000 0.475 298 F N 0.488 120.063 119.950 -0.626 0.000 2.579 298 F HA 0.931 5.458 4.527 0.000 0.000 0.324 298 F C -0.317 175.150 175.800 -0.555 0.000 1.058 298 F CA -0.425 56.980 58.000 -0.991 0.000 0.944 298 F CB 2.138 40.077 39.000 -1.767 0.000 1.245 298 F HN 0.928 nan 8.300 nan 0.000 0.477 299 G N 1.694 109.293 108.800 -2.001 0.000 2.495 299 G HA2 0.472 4.433 3.960 0.000 0.000 0.294 299 G HA3 0.472 4.433 3.960 0.000 0.000 0.294 299 G C -2.418 171.713 174.900 -1.282 0.000 1.397 299 G CA -0.660 43.577 45.100 -1.438 0.000 0.790 299 G HN 1.161 nan 8.290 nan 0.000 0.486 300 H N -2.285 116.364 119.070 -0.702 0.000 2.821 300 H HA 0.805 5.361 4.556 0.000 0.000 0.373 300 H C 0.114 175.442 175.328 0.001 0.000 1.165 300 H CA -0.331 55.554 56.048 -0.272 0.000 1.154 300 H CB 2.187 31.914 29.762 -0.058 0.000 1.765 300 H HN 0.829 nan 8.280 nan 0.000 0.549 301 A N 1.834 124.750 122.820 0.161 0.000 2.574 301 A HA 0.096 4.416 4.320 0.000 0.000 0.283 301 A C -0.172 177.549 177.584 0.228 0.000 1.270 301 A CA -0.273 51.826 52.037 0.103 0.000 0.945 301 A CB -1.021 18.046 19.000 0.111 0.000 1.127 301 A HN 0.813 nan 8.150 nan 0.000 0.522 302 H N 0.162 119.459 119.070 0.378 0.000 2.878 302 H HA 0.358 4.914 4.556 0.000 0.000 0.290 302 H C -0.206 175.205 175.328 0.137 0.000 1.065 302 H CA -0.915 55.246 56.048 0.189 0.000 1.477 302 H CB 0.541 30.293 29.762 -0.017 0.000 1.484 302 H HN 0.134 nan 8.280 nan 0.000 0.504 303 L N 6.477 127.596 121.223 -0.174 0.000 2.416 303 L HA 0.328 4.668 4.340 0.000 0.000 0.243 303 L C 0.553 177.167 176.870 -0.427 0.000 1.373 303 L CA 1.092 55.794 54.840 -0.230 0.000 1.227 303 L CB -0.912 41.099 42.059 -0.079 0.000 1.428 303 L HN 0.944 nan 8.230 nan 0.000 0.425 304 G N -0.018 108.374 108.800 -0.680 0.000 2.393 304 G HA2 0.477 4.437 3.960 0.000 0.000 0.264 304 G HA3 0.477 4.437 3.960 0.000 0.000 0.264 304 G C -0.982 173.816 174.900 -0.170 0.000 1.221 304 G CA 0.102 44.974 45.100 -0.380 0.000 0.912 304 G HN 0.388 nan 8.290 nan 0.000 0.483 305 T N -3.159 111.461 114.554 0.110 0.000 2.864 305 T HA 0.840 5.190 4.350 0.000 0.000 0.299 305 T C 0.561 175.307 174.700 0.076 0.000 1.166 305 T CA 0.520 62.707 62.100 0.146 0.000 1.007 305 T CB 1.433 70.431 68.868 0.217 0.000 1.219 305 T HN 2.773 nan 8.240 nan 0.000 0.506 306 G N 1.021 109.815 108.800 -0.010 0.000 2.828 306 G HA2 -0.001 3.959 3.960 0.000 0.000 0.463 306 G HA3 -0.001 3.959 3.960 0.000 0.000 0.463 306 G C -0.572 174.242 174.900 -0.143 0.000 1.394 306 G CA -0.189 44.842 45.100 -0.115 0.000 0.862 306 G HN 1.212 nan 8.290 nan 0.000 0.540 307 D N 1.140 121.428 120.400 -0.187 0.000 2.426 307 D HA 0.197 4.837 4.640 0.000 0.000 0.261 307 D C -0.065 176.041 176.300 -0.323 0.000 1.245 307 D CA -1.025 52.875 54.000 -0.167 0.000 0.917 307 D CB 0.960 41.694 40.800 -0.109 0.000 1.123 307 D HN 0.153 nan 8.370 nan 0.000 0.508 308 P HA -0.121 nan 4.420 nan 0.000 0.239 308 P C 0.277 177.065 177.300 -0.853 0.000 1.184 308 P CA 0.779 63.321 63.100 -0.930 0.000 0.760 308 P CB -0.114 30.631 31.700 -1.592 0.000 0.884 309 Y N -0.087 120.071 120.300 -0.237 0.000 2.467 309 Y HA 0.144 4.694 4.550 0.000 0.000 0.250 309 Y C 1.112 176.922 175.900 -0.150 0.000 1.155 309 Y CA 0.345 58.373 58.100 -0.120 0.000 1.249 309 Y CB 0.130 38.579 38.460 -0.018 0.000 1.146 309 Y HN -0.020 nan 8.280 nan 0.000 0.524 310 T N -1.816 112.541 114.554 -0.327 0.000 3.624 310 T HA 0.249 4.599 4.350 0.000 0.000 0.244 310 T C -2.999 171.056 174.700 -1.075 0.000 1.063 310 T CA -1.930 59.566 62.100 -1.006 0.000 1.252 310 T CB 0.235 68.567 68.868 -0.894 0.000 1.021 310 T HN -0.148 nan 8.240 nan 0.000 0.590 311 P HA 0.233 nan 4.420 nan 0.000 0.262 311 P C 1.141 178.249 177.300 -0.320 0.000 1.199 311 P CA 0.974 63.834 63.100 -0.399 0.000 0.763 311 P CB 0.378 31.933 31.700 -0.241 0.000 0.790 312 G N 2.798 111.397 108.800 -0.334 0.000 2.155 312 G HA2 -0.237 3.723 3.960 0.000 0.000 0.257 312 G HA3 -0.237 3.723 3.960 0.000 0.000 0.257 312 G C -0.214 174.669 174.900 -0.029 0.000 0.983 312 G CA 0.409 45.387 45.100 -0.203 0.000 0.676 312 G HN 0.721 nan 8.290 nan 0.000 0.528 313 F N -2.000 117.855 119.950 -0.158 0.000 2.693 313 F HA 0.816 5.343 4.527 0.000 0.000 0.309 313 F C -2.935 172.767 175.800 -0.163 0.000 1.129 313 F CA -2.823 55.102 58.000 -0.126 0.000 0.948 313 F CB 0.951 39.899 39.000 -0.087 0.000 1.315 313 F HN -0.017 nan 8.300 nan 0.000 0.447 314 P HA 0.139 nan 4.420 nan 0.000 0.276 314 P C -0.649 176.582 177.300 -0.115 0.000 1.230 314 P CA -0.138 62.865 63.100 -0.162 0.000 0.776 314 P CB 1.502 33.074 31.700 -0.214 0.000 0.888 315 S N 3.558 119.095 115.700 -0.272 0.000 3.900 315 S HA 0.272 4.742 4.470 0.000 0.000 0.248 315 S C -0.281 174.423 174.600 0.173 0.000 1.310 315 S CA -0.004 58.216 58.200 0.033 0.000 0.915 315 S CB -1.412 61.857 63.200 0.116 0.000 1.588 315 S HN 0.354 nan 8.310 nan 0.000 0.472 316 F N 0.768 120.796 119.950 0.129 0.000 2.551 316 F HA 0.305 4.832 4.527 0.000 0.000 0.316 316 F C 1.153 176.942 175.800 -0.017 0.000 1.089 316 F CA -1.366 56.746 58.000 0.187 0.000 0.915 316 F CB 1.626 40.700 39.000 0.124 0.000 1.186 316 F HN 0.151 nan 8.300 nan 0.000 0.456 317 N N 0.268 119.265 118.700 0.494 0.000 2.272 317 N HA -0.180 4.560 4.740 0.000 0.000 0.185 317 N C 1.398 176.988 175.510 0.133 0.000 1.014 317 N CA 0.998 54.239 53.050 0.317 0.000 0.870 317 N CB -0.250 38.444 38.487 0.345 0.000 0.975 317 N HN 0.545 nan 8.380 nan 0.000 0.433 318 H N -1.234 117.867 119.070 0.051 0.000 2.457 318 H HA -0.067 4.489 4.556 0.000 0.000 0.297 318 H C 1.527 176.824 175.328 -0.052 0.000 1.092 318 H CA 1.126 57.177 56.048 0.004 0.000 1.309 318 H CB 0.006 29.769 29.762 0.001 0.000 1.382 318 H HN 0.214 nan 8.280 nan 0.000 0.535 319 T N 0.126 114.689 114.554 0.016 0.000 2.951 319 T HA -0.101 4.249 4.350 0.000 0.000 0.268 319 T C 0.862 175.465 174.700 -0.161 0.000 1.073 319 T CA 0.426 62.439 62.100 -0.145 0.000 1.134 319 T CB 0.025 68.775 68.868 -0.196 0.000 0.884 319 T HN 0.458 nan 8.240 nan 0.000 0.479 320 Q N -0.353 119.368 119.800 -0.130 0.000 2.481 320 Q HA -0.183 4.157 4.340 0.000 0.000 0.272 320 Q C -0.682 175.433 176.000 0.191 0.000 1.157 320 Q CA 0.065 55.915 55.803 0.079 0.000 0.935 320 Q CB -2.337 26.432 28.738 0.052 0.000 1.338 320 Q HN 0.631 nan 8.270 nan 0.000 0.494 321 F N -0.642 119.400 119.950 0.154 0.000 2.350 321 F HA -0.226 4.301 4.527 0.000 0.000 0.155 321 F C -0.883 175.011 175.800 0.157 0.000 1.043 321 F CA 0.612 58.732 58.000 0.200 0.000 0.794 321 F CB -1.200 37.900 39.000 0.167 0.000 0.678 321 F HN 0.169 nan 8.300 nan 0.000 0.816 322 P HA 0.062 nan 4.420 nan 0.000 0.270 322 P C -2.280 175.149 177.300 0.216 0.000 1.223 322 P CA -1.090 62.098 63.100 0.147 0.000 0.785 322 P CB 0.203 31.913 31.700 0.017 0.000 0.923 323 P HA 0.114 nan 4.420 nan 0.000 0.268 323 P C -0.513 176.887 177.300 0.166 0.000 1.282 323 P CA 0.361 63.554 63.100 0.156 0.000 0.880 323 P CB 0.229 31.991 31.700 0.103 0.000 0.971 324 S N 2.973 118.802 115.700 0.215 0.000 2.575 324 S HA 0.483 4.953 4.470 0.000 0.000 0.278 324 S C -0.833 173.839 174.600 0.121 0.000 1.139 324 S CA -0.724 57.584 58.200 0.179 0.000 0.954 324 S CB 1.545 64.920 63.200 0.292 0.000 1.054 324 S HN 0.443 nan 8.310 nan 0.000 0.483 325 R N 2.300 122.821 120.500 0.036 0.000 2.439 325 R HA 0.442 4.782 4.340 0.000 0.000 0.310 325 R C -0.432 175.777 176.300 -0.151 0.000 0.955 325 R CA -0.318 55.736 56.100 -0.077 0.000 0.853 325 R CB 1.431 31.736 30.300 0.008 0.000 1.171 325 R HN 0.617 nan 8.270 nan 0.000 0.449 326 S N 2.013 117.534 115.700 -0.299 0.000 2.544 326 S HA -0.063 4.407 4.470 0.000 0.000 0.290 326 S C 1.259 175.792 174.600 -0.111 0.000 1.276 326 S CA 0.289 58.360 58.200 -0.215 0.000 1.075 326 S CB 0.619 63.634 63.200 -0.310 0.000 0.849 326 S HN 0.746 nan 8.310 nan 0.000 0.494 327 S N 3.456 119.125 115.700 -0.051 0.000 2.603 327 S HA 0.080 4.550 4.470 0.000 0.000 0.229 327 S C 1.413 176.018 174.600 0.008 0.000 0.972 327 S CA 0.412 58.599 58.200 -0.021 0.000 0.935 327 S CB -0.308 62.883 63.200 -0.015 0.000 0.769 327 S HN 0.890 nan 8.310 nan 0.000 0.536 328 G N 0.647 109.476 108.800 0.048 0.000 3.088 328 G HA2 0.364 4.324 3.960 0.000 0.000 0.217 328 G HA3 0.364 4.324 3.960 0.000 0.000 0.217 328 G C 0.160 175.160 174.900 0.165 0.000 1.159 328 G CA -0.477 44.677 45.100 0.091 0.000 0.760 328 G HN 0.487 nan 8.290 nan 0.000 0.550 329 L N 2.832 124.100 121.223 0.075 0.000 2.319 329 L HA 0.290 4.630 4.340 0.000 0.000 0.280 329 L C -1.601 175.306 176.870 0.063 0.000 1.099 329 L CA -1.829 53.041 54.840 0.050 0.000 0.828 329 L CB 1.340 43.351 42.059 -0.081 0.000 1.150 329 L HN 0.013 nan 8.230 nan 0.000 0.442 330 P HA 0.049 nan 4.420 nan 0.000 0.272 330 P C -0.827 176.510 177.300 0.062 0.000 1.223 330 P CA -0.303 62.838 63.100 0.068 0.000 0.784 330 P CB 0.873 32.620 31.700 0.078 0.000 0.923 331 N N 1.033 119.757 118.700 0.041 0.000 2.275 331 N HA 0.202 4.942 4.740 0.000 0.000 0.236 331 N C 0.280 175.810 175.510 0.033 0.000 1.154 331 N CA 0.056 53.130 53.050 0.039 0.000 0.866 331 N CB 0.443 38.947 38.487 0.027 0.000 1.093 331 N HN 0.520 nan 8.380 nan 0.000 0.515 332 I N -2.901 117.688 120.570 0.032 0.000 2.969 332 I HA 0.660 4.830 4.170 0.000 0.000 0.307 332 I C -2.895 173.238 176.117 0.028 0.000 1.149 332 I CA -2.520 58.794 61.300 0.023 0.000 1.008 332 I CB 2.707 40.712 38.000 0.009 0.000 1.232 332 I HN -0.309 nan 8.210 nan 0.000 0.435 333 P HA 0.248 nan 4.420 nan 0.000 0.274 333 P C -0.936 176.363 177.300 -0.002 0.000 1.231 333 P CA -0.150 62.961 63.100 0.018 0.000 0.790 333 P CB 1.692 33.400 31.700 0.013 0.000 0.951 334 V N 1.755 121.662 119.914 -0.012 0.000 2.668 334 V HA 0.450 4.570 4.120 0.000 0.000 0.304 334 V C -0.319 175.723 176.094 -0.085 0.000 1.071 334 V CA -0.503 61.760 62.300 -0.063 0.000 0.894 334 V CB 1.558 33.334 31.823 -0.077 0.000 1.008 334 V HN 0.539 nan 8.190 nan 0.000 0.425 335 Q N 1.621 121.345 119.800 -0.128 0.000 2.421 335 Q HA 0.667 5.007 4.340 0.000 0.000 0.280 335 Q C -0.833 175.031 176.000 -0.226 0.000 1.085 335 Q CA -0.229 55.494 55.803 -0.133 0.000 0.807 335 Q CB 2.569 31.269 28.738 -0.064 0.000 1.405 335 Q HN 0.772 nan 8.270 nan 0.000 0.419 336 T N 3.198 117.597 114.554 -0.259 0.000 2.829 336 T HA 0.749 5.099 4.350 0.000 0.000 0.282 336 T C -0.553 174.101 174.700 -0.076 0.000 0.990 336 T CA -0.436 61.443 62.100 -0.368 0.000 1.028 336 T CB 0.077 68.522 68.868 -0.706 0.000 0.951 336 T HN 0.490 nan 8.240 nan 0.000 0.460 337 I N 0.647 121.274 120.570 0.095 0.000 2.769 337 I HA 0.724 4.894 4.170 0.000 0.000 0.298 337 I C 0.296 176.560 176.117 0.244 0.000 1.128 337 I CA -1.106 60.272 61.300 0.131 0.000 1.031 337 I CB 2.232 40.248 38.000 0.026 0.000 1.235 337 I HN 0.596 nan 8.210 nan 0.000 0.423 338 S N 4.116 119.912 115.700 0.159 0.000 2.596 338 S HA 0.231 4.701 4.470 0.000 0.000 0.260 338 S C 1.030 175.686 174.600 0.093 0.000 1.336 338 S CA -0.338 57.940 58.200 0.131 0.000 0.993 338 S CB 1.275 64.531 63.200 0.095 0.000 0.923 338 S HN 0.937 nan 8.310 nan 0.000 0.567 339 R N 0.619 121.174 120.500 0.091 0.000 2.075 339 R HA -0.097 4.243 4.340 0.000 0.000 0.232 339 R C 2.451 178.776 176.300 0.041 0.000 1.126 339 R CA 1.402 57.577 56.100 0.124 0.000 0.963 339 R CB -1.234 29.151 30.300 0.142 0.000 0.858 339 R HN 0.861 nan 8.270 nan 0.000 0.435 340 A N 1.052 123.894 122.820 0.038 0.000 1.873 340 A HA -0.224 4.096 4.320 0.000 0.000 0.218 340 A C 2.395 179.955 177.584 -0.039 0.000 1.193 340 A CA 2.171 54.217 52.037 0.015 0.000 0.629 340 A CB -0.954 18.061 19.000 0.025 0.000 0.826 340 A HN 0.543 nan 8.150 nan 0.000 0.447 341 A N -0.343 122.446 122.820 -0.051 0.000 1.883 341 A HA 0.094 4.414 4.320 0.000 0.000 0.217 341 A C 2.554 179.985 177.584 -0.253 0.000 1.186 341 A CA 2.492 54.468 52.037 -0.101 0.000 0.624 341 A CB -1.171 17.791 19.000 -0.062 0.000 0.822 341 A HN 1.231 nan 8.150 nan 0.000 0.444 342 A N -0.138 122.461 122.820 -0.367 0.000 1.883 342 A HA -0.232 4.088 4.320 0.000 0.000 0.217 342 A C 1.926 178.891 177.584 -1.031 0.000 1.186 342 A CA 1.802 53.314 52.037 -0.875 0.000 0.624 342 A CB -0.641 17.708 19.000 -1.084 0.000 0.822 342 A HN 0.666 nan 8.150 nan 0.000 0.444 343 E N -0.369 119.624 120.200 -0.346 0.000 2.110 343 E HA -0.185 4.165 4.350 0.000 0.000 0.193 343 E C 2.063 178.638 176.600 -0.043 0.000 0.988 343 E CA 1.198 57.607 56.400 0.014 0.000 0.804 343 E CB -0.168 29.605 29.700 0.121 0.000 0.745 343 E HN 0.564 nan 8.360 nan 0.000 0.458 344 K N 0.366 120.706 120.400 -0.100 0.000 2.097 344 K HA -0.117 4.203 4.320 0.000 0.000 0.206 344 K C 2.029 178.598 176.600 -0.052 0.000 1.049 344 K CA 0.690 56.954 56.287 -0.037 0.000 0.933 344 K CB 0.036 32.520 32.500 -0.027 0.000 0.717 344 K HN 0.079 nan 8.250 nan 0.000 0.442 345 L N -0.055 121.041 121.223 -0.212 0.000 2.141 345 L HA -0.091 4.249 4.340 0.000 0.000 0.209 345 L C 1.974 178.795 176.870 -0.081 0.000 1.094 345 L CA 1.569 56.291 54.840 -0.197 0.000 0.763 345 L CB -0.985 40.862 42.059 -0.353 0.000 0.908 345 L HN 0.177 nan 8.230 nan 0.000 0.437 346 F N -0.165 119.769 119.950 -0.026 0.000 2.365 346 F HA -0.090 4.438 4.527 0.000 0.000 0.300 346 F C 2.282 178.079 175.800 -0.004 0.000 1.090 346 F CA 0.436 58.426 58.000 -0.017 0.000 1.408 346 F CB -0.348 38.634 39.000 -0.030 0.000 1.060 346 F HN 0.190 nan 8.300 nan 0.000 0.534 347 G N -0.513 108.389 108.800 0.169 0.000 2.848 347 G HA2 -0.127 3.833 3.960 0.000 0.000 0.208 347 G HA3 -0.127 3.833 3.960 0.000 0.000 0.208 347 G C 0.799 175.757 174.900 0.097 0.000 1.152 347 G CA 0.188 45.360 45.100 0.119 0.000 0.789 347 G HN 0.357 nan 8.290 nan 0.000 0.531 348 N N -0.291 118.460 118.700 0.084 0.000 2.299 348 N HA 0.270 5.010 4.740 0.000 0.000 0.246 348 N C -0.293 175.241 175.510 0.040 0.000 1.254 348 N CA -0.021 53.052 53.050 0.038 0.000 0.879 348 N CB 0.752 39.232 38.487 -0.013 0.000 1.214 348 N HN 0.246 nan 8.380 nan 0.000 0.510 349 M N 0.564 120.210 119.600 0.078 0.000 2.690 349 M HA 0.387 4.867 4.480 0.000 0.000 0.302 349 M C -0.817 175.505 176.300 0.037 0.000 1.234 349 M CA -0.464 54.882 55.300 0.077 0.000 0.853 349 M CB 2.508 35.203 32.600 0.158 0.000 1.748 349 M HN -0.085 nan 8.290 nan 0.000 0.469 350 E N -0.263 119.942 120.200 0.008 0.000 2.378 350 E HA 0.759 5.109 4.350 0.000 0.000 0.265 350 E C -0.707 175.852 176.600 -0.068 0.000 0.932 350 E CA -1.127 55.255 56.400 -0.030 0.000 0.795 350 E CB 2.148 31.830 29.700 -0.030 0.000 1.296 350 E HN 0.916 nan 8.360 nan 0.000 0.438 351 G N 2.056 110.793 108.800 -0.104 0.000 3.391 351 G HA2 -0.141 3.819 3.960 0.000 0.000 0.683 351 G HA3 -0.141 3.819 3.960 0.000 0.000 0.683 351 G C -0.937 173.837 174.900 -0.211 0.000 1.071 351 G CA -0.780 44.224 45.100 -0.161 0.000 0.904 351 G HN 0.476 nan 8.290 nan 0.000 0.452 352 D N 0.623 120.891 120.400 -0.220 0.000 2.493 352 D HA 0.151 4.791 4.640 0.000 0.000 0.240 352 D C 1.187 177.270 176.300 -0.361 0.000 1.142 352 D CA 0.411 54.260 54.000 -0.252 0.000 0.872 352 D CB 1.022 41.696 40.800 -0.210 0.000 1.173 352 D HN 0.508 nan 8.370 nan 0.000 0.467 353 c N 4.295 122.650 118.600 -0.407 0.000 2.634 353 c HA 0.083 4.653 4.570 0.000 0.000 0.418 353 c C -1.822 171.895 174.090 -0.622 0.000 1.373 353 c CA -1.167 54.809 56.329 -0.588 0.000 1.756 353 c CB -0.483 41.742 42.510 -0.474 0.000 2.589 353 c HN 0.424 nan 8.230 nan 0.000 0.602 354 P HA -0.015 nan 4.420 nan 0.000 0.260 354 P C 0.684 177.716 177.300 -0.447 0.000 1.172 354 P CA 0.583 63.234 63.100 -0.747 0.000 0.760 354 P CB 0.548 31.577 31.700 -1.119 0.000 0.773 355 S N 1.775 117.332 115.700 -0.238 0.000 2.419 355 S HA -0.223 4.247 4.470 0.000 0.000 0.233 355 S C 1.675 176.261 174.600 -0.024 0.000 1.016 355 S CA 1.293 59.428 58.200 -0.107 0.000 0.974 355 S CB -0.720 62.434 63.200 -0.077 0.000 0.786 355 S HN 0.452 nan 8.310 nan 0.000 0.492 356 D N 0.769 121.154 120.400 -0.024 0.000 2.158 356 D HA -0.141 4.499 4.640 0.000 0.000 0.197 356 D C 1.112 177.574 176.300 0.270 0.000 0.995 356 D CA 1.149 55.212 54.000 0.106 0.000 0.846 356 D CB -0.299 40.576 40.800 0.125 0.000 0.941 356 D HN 0.584 nan 8.370 nan 0.000 0.456 357 W N 0.832 122.124 121.300 -0.013 0.000 2.525 357 W HA 0.032 4.692 4.660 0.000 0.000 0.259 357 W C 1.035 177.546 176.519 -0.014 0.000 1.253 357 W CA 0.091 57.419 57.345 -0.028 0.000 1.262 357 W CB -0.875 28.527 29.460 -0.097 0.000 1.122 357 W HN -0.011 nan 8.180 nan 0.000 0.607 358 K N 1.099 121.620 120.400 0.202 0.000 3.689 358 K HA -0.246 4.074 4.320 0.000 0.000 0.276 358 K C -0.321 176.350 176.600 0.118 0.000 0.932 358 K CA 1.276 57.636 56.287 0.122 0.000 0.758 358 K CB -1.332 31.235 32.500 0.112 0.000 1.500 358 K HN 0.136 nan 8.250 nan 0.000 0.448 359 T N 0.162 114.780 114.554 0.107 0.000 2.864 359 T HA 0.472 4.822 4.350 0.000 0.000 0.289 359 T C -1.023 173.710 174.700 0.054 0.000 1.082 359 T CA -0.486 61.670 62.100 0.094 0.000 1.009 359 T CB 0.916 69.856 68.868 0.119 0.000 1.234 359 T HN 0.255 nan 8.240 nan 0.000 0.526 360 D N 1.435 121.878 120.400 0.071 0.000 2.694 360 D HA 0.018 4.658 4.640 0.000 0.000 0.223 360 D C 1.215 177.499 176.300 -0.027 0.000 1.158 360 D CA 1.097 55.125 54.000 0.047 0.000 0.859 360 D CB 0.581 41.442 40.800 0.102 0.000 1.210 360 D HN 0.555 nan 8.370 nan 0.000 0.506 361 S N -0.172 115.513 115.700 -0.025 0.000 2.607 361 S HA -0.050 4.420 4.470 0.000 0.000 0.224 361 S C 1.358 175.905 174.600 -0.088 0.000 0.969 361 S CA 0.339 58.504 58.200 -0.058 0.000 0.927 361 S CB 0.130 63.310 63.200 -0.032 0.000 0.772 361 S HN 0.434 nan 8.310 nan 0.000 0.533 362 T N 1.779 116.277 114.554 -0.094 0.000 3.031 362 T HA 0.120 4.470 4.350 0.000 0.000 0.254 362 T C 1.354 175.809 174.700 -0.408 0.000 1.060 362 T CA 0.509 62.540 62.100 -0.115 0.000 1.135 362 T CB -0.592 68.305 68.868 0.048 0.000 0.896 362 T HN 0.834 nan 8.240 nan 0.000 0.472 363 c N 2.814 120.977 118.600 -0.727 0.000 2.700 363 c HA 0.728 5.298 4.570 0.000 0.000 0.397 363 c C 0.204 173.818 174.090 -0.794 0.000 1.301 363 c CA -1.300 54.143 56.329 -1.477 0.000 2.219 363 c CB -0.330 41.411 42.510 -1.281 0.000 2.699 363 c HN 0.429 nan 8.230 nan 0.000 0.669 364 R N 2.660 122.750 120.500 -0.683 0.000 2.680 364 R HA 0.599 4.939 4.340 0.000 0.000 0.269 364 R C -0.861 175.376 176.300 -0.105 0.000 1.026 364 R CA -0.750 55.168 56.100 -0.303 0.000 0.889 364 R CB 1.590 31.799 30.300 -0.151 0.000 1.241 364 R HN 0.844 nan 8.270 nan 0.000 0.463 365 M N 0.761 120.319 119.600 -0.071 0.000 2.363 365 M HA 0.519 4.999 4.480 0.000 0.000 0.343 365 M C -0.249 176.107 176.300 0.093 0.000 1.165 365 M CA -0.946 54.416 55.300 0.103 0.000 1.046 365 M CB 1.228 33.885 32.600 0.095 0.000 1.648 365 M HN 0.397 nan 8.290 nan 0.000 0.452 366 V N 0.093 120.094 119.914 0.146 0.000 3.478 366 V HA -0.175 3.945 4.120 0.000 0.000 0.498 366 V C 0.476 176.613 176.094 0.073 0.000 0.682 366 V CA 0.714 63.072 62.300 0.097 0.000 2.047 366 V CB -1.531 30.329 31.823 0.062 0.000 2.481 366 V HN 1.239 nan 8.190 nan 0.000 0.507 367 T N 2.246 116.835 114.554 0.057 0.000 2.849 367 T HA 0.594 4.944 4.350 0.000 0.000 0.284 367 T C 0.287 174.995 174.700 0.013 0.000 1.004 367 T CA -0.061 62.058 62.100 0.033 0.000 1.021 367 T CB 1.446 70.322 68.868 0.013 0.000 1.013 367 T HN 1.065 nan 8.240 nan 0.000 0.527 368 S N 1.120 116.819 115.700 -0.001 0.000 2.525 368 S HA 0.045 4.515 4.470 0.000 0.000 0.285 368 S C 1.447 176.038 174.600 -0.014 0.000 1.283 368 S CA -0.431 57.763 58.200 -0.009 0.000 1.072 368 S CB 0.563 63.753 63.200 -0.016 0.000 0.867 368 S HN 0.968 nan 8.310 nan 0.000 0.492 369 E N 3.154 123.349 120.200 -0.009 0.000 2.236 369 E HA -0.289 4.061 4.350 0.000 0.000 0.205 369 E C 1.836 178.427 176.600 -0.016 0.000 1.028 369 E CA 1.886 58.281 56.400 -0.008 0.000 0.827 369 E CB -0.107 29.590 29.700 -0.005 0.000 0.735 369 E HN 0.773 nan 8.360 nan 0.000 0.470 370 S N -0.774 114.912 115.700 -0.023 0.000 2.436 370 S HA -0.015 4.455 4.470 0.000 0.000 0.228 370 S C 0.677 175.247 174.600 -0.050 0.000 1.014 370 S CA 0.355 58.536 58.200 -0.032 0.000 0.950 370 S CB 0.096 63.277 63.200 -0.032 0.000 0.784 370 S HN 0.054 nan 8.310 nan 0.000 0.504 371 K N 1.909 122.272 120.400 -0.062 0.000 2.203 371 K HA 0.565 4.885 4.320 0.000 0.000 0.251 371 K C -1.071 175.490 176.600 -0.066 0.000 0.944 371 K CA -0.681 55.550 56.287 -0.092 0.000 0.829 371 K CB 1.247 33.662 32.500 -0.143 0.000 1.125 371 K HN 0.521 nan 8.250 nan 0.000 0.430 372 N N -1.488 117.169 118.700 -0.072 0.000 2.591 372 N HA 0.420 5.160 4.740 0.000 0.000 0.263 372 N C -1.170 174.310 175.510 -0.051 0.000 1.308 372 N CA -1.058 51.965 53.050 -0.045 0.000 0.837 372 N CB 1.181 39.653 38.487 -0.025 0.000 1.548 372 N HN 0.231 nan 8.380 nan 0.000 0.493 373 V N -2.570 117.324 119.914 -0.034 0.000 2.834 373 V HA 0.693 4.813 4.120 0.000 0.000 0.313 373 V C -0.233 175.850 176.094 -0.019 0.000 1.060 373 V CA -0.725 61.557 62.300 -0.031 0.000 0.989 373 V CB 1.527 33.331 31.823 -0.031 0.000 1.041 373 V HN 0.900 nan 8.190 nan 0.000 0.459 374 K N 2.848 123.240 120.400 -0.015 0.000 2.559 374 K HA 0.568 4.888 4.320 0.000 0.000 0.249 374 K C -1.506 175.091 176.600 -0.005 0.000 0.958 374 K CA -0.751 55.532 56.287 -0.007 0.000 0.901 374 K CB 1.632 34.130 32.500 -0.004 0.000 1.124 374 K HN 0.822 nan 8.250 nan 0.000 0.437 375 L N 3.544 124.764 121.223 -0.006 0.000 2.312 375 L HA 0.490 4.830 4.340 0.000 0.000 0.281 375 L C -0.742 176.127 176.870 -0.001 0.000 1.070 375 L CA 0.512 55.348 54.840 -0.007 0.000 0.805 375 L CB 1.711 43.763 42.059 -0.012 0.000 1.174 375 L HN 0.646 nan 8.230 nan 0.000 0.434 376 T N 5.479 120.034 114.554 0.002 0.000 3.050 376 T HA 0.609 4.959 4.350 0.000 0.000 0.310 376 T C -1.282 173.422 174.700 0.007 0.000 0.978 376 T CA -0.212 61.891 62.100 0.005 0.000 1.013 376 T CB 0.581 69.453 68.868 0.007 0.000 1.000 376 T HN 0.857 nan 8.240 nan 0.000 0.447 377 V N 3.079 122.998 119.914 0.008 0.000 2.540 377 V HA 0.848 4.968 4.120 0.000 0.000 0.302 377 V C 0.302 176.400 176.094 0.006 0.000 1.035 377 V CA -0.156 62.149 62.300 0.009 0.000 0.873 377 V CB 1.796 33.630 31.823 0.017 0.000 0.992 377 V HN 0.935 nan 8.190 nan 0.000 0.428 378 S N 2.071 117.767 115.700 -0.005 0.000 2.663 378 S HA 0.294 4.764 4.470 0.000 0.000 0.243 378 S C 0.372 174.955 174.600 -0.028 0.000 1.009 378 S CA -0.486 57.708 58.200 -0.010 0.000 0.988 378 S CB -1.138 62.055 63.200 -0.011 0.000 0.896 378 S HN 0.884 nan 8.310 nan 0.000 0.502 379 N N 1.942 120.618 118.700 -0.040 0.000 2.232 379 N HA 0.180 4.920 4.740 0.000 0.000 0.251 379 N C -0.227 175.259 175.510 -0.040 0.000 1.242 379 N CA 0.461 53.463 53.050 -0.079 0.000 0.837 379 N CB 0.502 38.958 38.487 -0.051 0.000 1.079 379 N HN 0.416 nan 8.380 nan 0.000 0.461 380 V N -0.007 119.871 119.914 -0.059 0.000 2.769 380 V HA 0.494 4.614 4.120 0.000 0.000 0.312 380 V C 0.028 176.104 176.094 -0.030 0.000 1.061 380 V CA -1.182 61.098 62.300 -0.034 0.000 0.931 380 V CB 1.547 33.346 31.823 -0.040 0.000 1.010 380 V HN 0.430 nan 8.190 nan 0.000 0.433 381 L N 2.739 123.945 121.223 -0.029 0.000 2.461 381 L HA 0.481 4.821 4.340 0.000 0.000 0.272 381 L C 0.277 177.110 176.870 -0.062 0.000 1.197 381 L CA 0.121 54.932 54.840 -0.048 0.000 0.836 381 L CB 0.768 42.754 42.059 -0.121 0.000 1.105 381 L HN 0.855 nan 8.230 nan 0.000 0.477 382 K N 2.674 123.039 120.400 -0.060 0.000 2.581 382 K HA 0.227 4.547 4.320 0.000 0.000 0.249 382 K C -1.073 175.491 176.600 -0.059 0.000 0.966 382 K CA -0.620 55.635 56.287 -0.054 0.000 0.811 382 K CB 1.703 34.184 32.500 -0.031 0.000 1.223 382 K HN 0.566 nan 8.250 nan 0.000 0.438 383 E N 5.375 125.537 120.200 -0.063 0.000 2.316 383 E HA 0.291 4.641 4.350 0.000 0.000 0.275 383 E C -0.385 176.231 176.600 0.026 0.000 1.029 383 E CA -0.476 55.898 56.400 -0.044 0.000 0.871 383 E CB 0.619 30.257 29.700 -0.103 0.000 1.022 383 E HN 0.542 nan 8.360 nan 0.000 0.418 384 I N 0.129 120.745 120.570 0.075 0.000 3.174 384 I HA 0.523 4.693 4.170 0.000 0.000 0.313 384 I C -1.119 175.099 176.117 0.168 0.000 1.155 384 I CA -1.288 60.076 61.300 0.107 0.000 0.977 384 I CB 1.974 39.983 38.000 0.014 0.000 1.248 384 I HN 0.290 nan 8.210 nan 0.000 0.453 385 K N 3.322 123.776 120.400 0.089 0.000 2.240 385 K HA 0.624 4.944 4.320 0.000 0.000 0.271 385 K C -1.382 175.166 176.600 -0.086 0.000 1.018 385 K CA -0.534 55.659 56.287 -0.157 0.000 0.874 385 K CB 1.158 33.573 32.500 -0.142 0.000 1.098 385 K HN 0.641 nan 8.250 nan 0.000 0.458 386 I N 5.179 125.704 120.570 -0.075 0.000 2.498 386 I HA 0.318 4.488 4.170 0.000 0.000 0.301 386 I C -0.444 175.701 176.117 0.047 0.000 0.984 386 I CA -1.087 60.230 61.300 0.028 0.000 1.204 386 I CB 1.505 39.566 38.000 0.102 0.000 1.362 386 I HN 0.447 nan 8.210 nan 0.000 0.471 387 L N 5.589 126.847 121.223 0.058 0.000 2.349 387 L HA 0.425 4.765 4.340 0.000 0.000 0.278 387 L C -0.747 176.143 176.870 0.033 0.000 0.996 387 L CA -0.627 54.242 54.840 0.049 0.000 0.825 387 L CB 1.437 43.500 42.059 0.007 0.000 1.243 387 L HN 0.524 nan 8.230 nan 0.000 0.412 388 N N 4.004 122.734 118.700 0.050 0.000 2.437 388 N HA 0.417 5.157 4.740 0.000 0.000 0.259 388 N C -0.750 174.478 175.510 -0.470 0.000 0.983 388 N CA -0.414 52.528 53.050 -0.180 0.000 0.937 388 N CB 2.035 40.518 38.487 -0.006 0.000 1.122 388 N HN 0.334 nan 8.380 nan 0.000 0.499 389 I N 3.516 123.726 120.570 -0.599 0.000 2.315 389 I HA 0.347 4.517 4.170 0.000 0.000 0.291 389 I C -0.290 175.371 176.117 -0.759 0.000 1.006 389 I CA -0.203 60.783 61.300 -0.522 0.000 1.265 389 I CB 0.105 37.856 38.000 -0.415 0.000 1.387 389 I HN 0.270 nan 8.210 nan 0.000 0.475 390 F N 3.609 123.204 119.950 -0.591 0.000 2.556 390 F HA 0.852 5.379 4.527 0.000 0.000 0.327 390 F C 0.713 176.270 175.800 -0.405 0.000 1.059 390 F CA -0.907 56.600 58.000 -0.821 0.000 0.953 390 F CB 2.024 39.761 39.000 -2.104 0.000 1.227 390 F HN 0.425 nan 8.300 nan 0.000 0.478 391 G N 0.436 109.168 108.800 -0.112 0.000 2.740 391 G HA2 0.548 4.508 3.960 0.000 0.000 0.296 391 G HA3 0.548 4.508 3.960 0.000 0.000 0.296 391 G C -2.370 172.633 174.900 0.172 0.000 1.439 391 G CA -0.766 44.275 45.100 -0.098 0.000 1.066 391 G HN 0.680 nan 8.290 nan 0.000 0.527 392 V N 3.138 123.246 119.914 0.322 0.000 2.823 392 V HA 0.737 4.857 4.120 0.000 0.000 0.312 392 V C -0.875 175.325 176.094 0.177 0.000 1.072 392 V CA -1.116 61.351 62.300 0.277 0.000 0.937 392 V CB 1.881 33.854 31.823 0.249 0.000 1.013 392 V HN 0.627 nan 8.190 nan 0.000 0.430 393 I N 6.369 127.049 120.570 0.184 0.000 2.428 393 I HA 0.378 4.548 4.170 0.000 0.000 0.279 393 I C 0.286 176.443 176.117 0.067 0.000 1.040 393 I CA -0.580 60.807 61.300 0.145 0.000 1.171 393 I CB 1.097 39.250 38.000 0.256 0.000 1.312 393 I HN 0.566 nan 8.210 nan 0.000 0.470 394 K N 3.776 124.161 120.400 -0.026 0.000 2.527 394 K HA 0.133 4.453 4.320 0.000 0.000 0.278 394 K C 0.701 177.207 176.600 -0.157 0.000 0.981 394 K CA -0.060 56.170 56.287 -0.096 0.000 1.009 394 K CB 0.668 33.073 32.500 -0.159 0.000 0.895 394 K HN 0.700 nan 8.250 nan 0.000 0.493 395 G N 1.023 109.783 108.800 -0.067 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 -0.077 174.739 174.900 -0.140 0.000 1.197 395 G CA -0.561 44.540 45.100 0.002 0.000 0.870 395 G HN 0.522 nan 8.290 nan 0.000 0.548 396 F N -0.125 119.819 119.950 -0.011 0.000 2.776 396 F HA 0.188 4.715 4.527 0.000 0.000 0.300 396 F C 1.879 177.680 175.800 0.002 0.000 1.116 396 F CA 0.147 58.141 58.000 -0.010 0.000 1.375 396 F CB 0.597 39.583 39.000 -0.023 0.000 1.109 396 F HN 0.198 nan 8.300 nan 0.000 0.585 397 V N -1.678 118.327 119.914 0.152 0.000 3.103 397 V HA 0.129 4.249 4.120 0.000 0.000 0.229 397 V C -0.087 176.023 176.094 0.026 0.000 1.304 397 V CA 0.009 62.361 62.300 0.088 0.000 1.298 397 V CB 0.500 32.375 31.823 0.087 0.000 1.093 397 V HN -0.030 nan 8.190 nan 0.000 0.489 398 E N 1.101 121.311 120.200 0.017 0.000 2.873 398 E HA 0.274 4.624 4.350 0.000 0.000 0.232 398 E C -2.364 174.245 176.600 0.014 0.000 1.123 398 E CA -1.528 54.837 56.400 -0.058 0.000 0.809 398 E CB 1.794 31.401 29.700 -0.156 0.000 1.366 398 E HN 0.327 nan 8.360 nan 0.000 0.400 399 P HA -0.161 nan 4.420 nan 0.000 0.225 399 P C 0.944 178.321 177.300 0.128 0.000 1.156 399 P CA 0.851 63.982 63.100 0.051 0.000 0.787 399 P CB 0.169 31.852 31.700 -0.028 0.000 0.802 400 D N -1.659 118.795 120.400 0.090 0.000 2.351 400 D HA -0.166 4.474 4.640 0.000 0.000 0.216 400 D C 0.297 176.901 176.300 0.507 0.000 0.968 400 D CA 0.857 54.974 54.000 0.195 0.000 0.899 400 D CB -0.946 39.894 40.800 0.067 0.000 0.907 400 D HN 0.313 nan 8.370 nan 0.000 0.514 401 H N -1.074 118.192 119.070 0.327 0.000 2.499 401 H HA 0.479 5.035 4.556 0.000 0.000 0.340 401 H C -0.773 174.903 175.328 0.580 0.000 1.148 401 H CA -1.053 55.200 56.048 0.342 0.000 1.215 401 H CB 1.437 31.302 29.762 0.171 0.000 1.529 401 H HN 0.051 nan 8.280 nan 0.000 0.510 402 Y N -1.344 119.262 120.300 0.511 0.000 2.713 402 Y HA 0.507 5.057 4.550 0.000 0.000 0.335 402 Y C -1.841 173.903 175.900 -0.259 0.000 1.222 402 Y CA -1.244 57.008 58.100 0.254 0.000 1.061 402 Y CB 0.415 38.981 38.460 0.178 0.000 1.314 402 Y HN 0.253 nan 8.280 nan 0.000 0.453 403 V N 1.773 121.592 119.914 -0.158 0.000 2.732 403 V HA 0.716 4.836 4.120 0.000 0.000 0.310 403 V C -0.677 175.377 176.094 -0.066 0.000 1.053 403 V CA -0.918 61.145 62.300 -0.395 0.000 0.957 403 V CB 1.735 33.354 31.823 -0.340 0.000 1.018 403 V HN 0.666 nan 8.190 nan 0.000 0.452 404 V N 3.586 123.461 119.914 -0.065 0.000 2.531 404 V HA 0.557 4.677 4.120 0.000 0.000 0.301 404 V C -0.564 175.397 176.094 -0.222 0.000 1.034 404 V CA -0.567 61.768 62.300 0.058 0.000 0.865 404 V CB 1.925 34.032 31.823 0.472 0.000 0.995 404 V HN 0.572 nan 8.190 nan 0.000 0.424 405 V N 3.500 123.215 119.914 -0.331 0.000 2.487 405 V HA 0.956 5.076 4.120 0.000 0.000 0.298 405 V C 0.472 176.413 176.094 -0.254 0.000 1.028 405 V CA -0.008 62.043 62.300 -0.416 0.000 0.860 405 V CB 1.652 33.207 31.823 -0.446 0.000 0.991 405 V HN 1.049 nan 8.190 nan 0.000 0.427 406 G N 2.663 111.354 108.800 -0.183 0.000 2.694 406 G HA2 0.924 4.884 3.960 0.000 0.000 0.290 406 G HA3 0.924 4.884 3.960 0.000 0.000 0.290 406 G C -1.391 173.583 174.900 0.123 0.000 1.386 406 G CA -0.230 44.863 45.100 -0.011 0.000 0.872 406 G HN 1.197 nan 8.290 nan 0.000 0.475 407 A N -0.305 122.569 122.820 0.090 0.000 2.589 407 A HA 0.710 5.030 4.320 0.000 0.000 0.296 407 A C -0.539 177.180 177.584 0.224 0.000 1.062 407 A CA -0.545 51.597 52.037 0.175 0.000 0.686 407 A CB 1.704 20.758 19.000 0.091 0.000 1.282 407 A HN 0.827 nan 8.150 nan 0.000 0.404 408 Q N 1.215 121.176 119.800 0.269 0.000 2.332 408 Q HA 0.276 4.616 4.340 0.000 0.000 0.263 408 Q C 0.588 176.675 176.000 0.146 0.000 0.979 408 Q CA -0.092 55.862 55.803 0.252 0.000 0.885 408 Q CB 0.688 29.557 28.738 0.218 0.000 1.218 408 Q HN 0.776 nan 8.270 nan 0.000 0.405 409 R N 2.598 123.174 120.500 0.127 0.000 2.221 409 R HA 0.018 4.358 4.340 0.000 0.000 0.195 409 R C -0.058 176.291 176.300 0.081 0.000 0.956 409 R CA 0.443 56.581 56.100 0.063 0.000 1.064 409 R CB 0.350 30.657 30.300 0.012 0.000 1.049 409 R HN 0.866 nan 8.270 nan 0.000 0.534 410 D N 0.362 120.836 120.400 0.123 0.000 2.360 410 D HA 0.325 4.965 4.640 0.000 0.000 0.242 410 D C -0.797 175.589 176.300 0.143 0.000 1.184 410 D CA -0.090 53.993 54.000 0.138 0.000 0.930 410 D CB 1.614 42.528 40.800 0.189 0.000 1.161 410 D HN 0.175 nan 8.370 nan 0.000 0.447 411 A N 0.127 123.027 122.820 0.133 0.000 2.594 411 A HA 0.274 4.594 4.320 0.000 0.000 0.296 411 A C -0.482 177.167 177.584 0.109 0.000 1.061 411 A CA -0.874 51.244 52.037 0.135 0.000 0.689 411 A CB 0.518 19.591 19.000 0.121 0.000 1.280 411 A HN 0.725 nan 8.150 nan 0.000 0.406 412 W N 2.424 123.658 121.300 -0.111 0.000 2.407 412 W HA 0.268 4.928 4.660 0.000 0.000 0.305 412 W C 1.222 177.695 176.519 -0.076 0.000 1.196 412 W CA 2.637 59.834 57.345 -0.247 0.000 1.311 412 W CB -0.141 29.043 29.460 -0.460 0.000 1.135 412 W HN 0.917 nan 8.180 nan 0.000 0.514 413 G N -0.827 107.938 108.800 -0.059 0.000 3.392 413 G HA2 0.176 4.136 3.960 0.000 0.000 0.188 413 G HA3 0.176 4.136 3.960 0.000 0.000 0.188 413 G C -1.853 173.009 174.900 -0.062 0.000 1.485 413 G CA 0.106 45.076 45.100 -0.217 0.000 0.943 413 G HN -0.109 nan 8.290 nan 0.000 0.627 414 P HA 0.108 nan 4.420 nan 0.000 0.221 414 P C 1.144 178.498 177.300 0.090 0.000 1.155 414 P CA 1.474 64.601 63.100 0.045 0.000 0.812 414 P CB 0.160 31.896 31.700 0.060 0.000 0.801 415 G N -0.252 108.625 108.800 0.128 0.000 2.341 415 G HA2 -0.296 3.664 3.960 0.000 0.000 0.292 415 G HA3 -0.296 3.664 3.960 0.000 0.000 0.292 415 G C 1.113 176.096 174.900 0.138 0.000 1.021 415 G CA 0.387 45.578 45.100 0.151 0.000 0.905 415 G HN 0.457 nan 8.290 nan 0.000 0.508 416 A N 0.019 122.931 122.820 0.153 0.000 1.849 416 A HA 0.182 4.502 4.320 0.000 0.000 0.217 416 A C 2.852 180.502 177.584 0.109 0.000 1.202 416 A CA 2.973 55.100 52.037 0.150 0.000 0.629 416 A CB -0.993 18.120 19.000 0.189 0.000 0.834 416 A HN 1.817 nan 8.150 nan 0.000 0.447 417 A N -1.115 121.759 122.820 0.090 0.000 1.929 417 A HA -0.067 4.253 4.320 0.000 0.000 0.216 417 A C 2.158 179.749 177.584 0.011 0.000 1.176 417 A CA 1.785 53.801 52.037 -0.035 0.000 0.628 417 A CB -0.373 18.460 19.000 -0.279 0.000 0.816 417 A HN 0.530 nan 8.150 nan 0.000 0.444 418 K N -1.104 119.350 120.400 0.090 0.000 2.217 418 K HA -0.034 4.286 4.320 0.000 0.000 0.202 418 K C 1.906 178.562 176.600 0.093 0.000 1.051 418 K CA 1.491 57.838 56.287 0.100 0.000 0.952 418 K CB -0.014 32.577 32.500 0.152 0.000 0.736 418 K HN 0.440 nan 8.250 nan 0.000 0.453 419 S N -1.744 114.012 115.700 0.095 0.000 3.056 419 S HA 0.143 4.613 4.470 0.000 0.000 0.255 419 S C 1.669 176.310 174.600 0.068 0.000 1.079 419 S CA 0.391 58.644 58.200 0.087 0.000 0.810 419 S CB -0.003 63.254 63.200 0.094 0.000 0.810 419 S HN 0.429 nan 8.310 nan 0.000 0.477 420 G N 2.172 111.014 108.800 0.071 0.000 2.545 420 G HA2 -0.179 3.781 3.960 0.000 0.000 0.217 420 G HA3 -0.179 3.781 3.960 0.000 0.000 0.217 420 G C 1.440 176.386 174.900 0.076 0.000 1.218 420 G CA 1.522 46.662 45.100 0.067 0.000 0.787 420 G HN 0.420 nan 8.290 nan 0.000 0.571 421 V N 1.845 121.805 119.914 0.076 0.000 2.278 421 V HA -0.201 3.919 4.120 0.000 0.000 0.251 421 V C 3.152 179.288 176.094 0.071 0.000 1.062 421 V CA 2.372 64.715 62.300 0.071 0.000 1.038 421 V CB -1.338 30.501 31.823 0.026 0.000 0.646 421 V HN 0.504 nan 8.190 nan 0.000 0.447 422 G N -0.719 108.113 108.800 0.053 0.000 2.480 422 G HA2 -0.277 3.683 3.960 0.000 0.000 0.216 422 G HA3 -0.277 3.683 3.960 0.000 0.000 0.216 422 G C 1.682 176.633 174.900 0.085 0.000 1.200 422 G CA 1.602 46.736 45.100 0.057 0.000 0.782 422 G HN 0.463 nan 8.290 nan 0.000 0.554 423 T N 1.617 116.215 114.554 0.074 0.000 2.759 423 T HA -0.003 4.347 4.350 0.000 0.000 0.269 423 T C 2.761 177.527 174.700 0.109 0.000 1.042 423 T CA 1.557 63.697 62.100 0.067 0.000 1.140 423 T CB -0.360 68.519 68.868 0.018 0.000 0.864 423 T HN 0.404 nan 8.240 nan 0.000 0.455 424 A N 1.338 124.232 122.820 0.123 0.000 1.877 424 A HA -0.004 4.316 4.320 0.000 0.000 0.216 424 A C 2.302 180.037 177.584 0.251 0.000 1.186 424 A CA 1.202 53.346 52.037 0.179 0.000 0.620 424 A CB -0.869 18.246 19.000 0.192 0.000 0.822 424 A HN 0.474 nan 8.150 nan 0.000 0.443 425 L N -1.155 120.207 121.223 0.231 0.000 2.042 425 L HA -0.207 4.133 4.340 0.000 0.000 0.210 425 L C 2.618 179.659 176.870 0.284 0.000 1.076 425 L CA 1.415 56.412 54.840 0.262 0.000 0.749 425 L CB -0.581 41.577 42.059 0.164 0.000 0.893 425 L HN 0.482 nan 8.230 nan 0.000 0.432 426 L N -0.223 121.147 121.223 0.244 0.000 2.017 426 L HA -0.222 4.118 4.340 0.000 0.000 0.208 426 L C 2.390 179.468 176.870 0.347 0.000 1.073 426 L CA 1.657 56.678 54.840 0.302 0.000 0.745 426 L CB -0.309 41.889 42.059 0.233 0.000 0.894 426 L HN 0.079 nan 8.230 nan 0.000 0.432 427 L N -0.730 120.676 121.223 0.306 0.000 1.989 427 L HA -0.240 4.100 4.340 0.000 0.000 0.211 427 L C 2.727 179.783 176.870 0.310 0.000 1.071 427 L CA 1.278 56.344 54.840 0.377 0.000 0.749 427 L CB -0.778 41.456 42.059 0.291 0.000 0.890 427 L HN 0.205 nan 8.230 nan 0.000 0.431 428 K N 0.299 120.829 120.400 0.217 0.000 1.991 428 K HA -0.150 4.170 4.320 0.000 0.000 0.212 428 K C 2.124 178.780 176.600 0.094 0.000 1.049 428 K CA 1.450 57.791 56.287 0.089 0.000 0.932 428 K CB -0.905 31.693 32.500 0.164 0.000 0.717 428 K HN 0.237 nan 8.250 nan 0.000 0.441 429 L N 0.777 122.163 121.223 0.271 0.000 2.021 429 L HA -0.246 4.094 4.340 0.000 0.000 0.215 429 L C 2.551 179.606 176.870 0.309 0.000 1.074 429 L CA 1.633 56.728 54.840 0.426 0.000 0.760 429 L CB -0.666 41.740 42.059 0.578 0.000 0.889 429 L HN 0.171 nan 8.230 nan 0.000 0.433 430 A N -1.023 121.713 122.820 -0.140 0.000 1.972 430 A HA -0.272 4.048 4.320 0.000 0.000 0.219 430 A C 2.243 179.581 177.584 -0.410 0.000 1.169 430 A CA 1.887 53.376 52.037 -0.913 0.000 0.635 430 A CB -0.472 17.968 19.000 -0.933 0.000 0.810 430 A HN 0.538 nan 8.150 nan 0.000 0.446 431 Q N -0.879 118.620 119.800 -0.501 0.000 1.969 431 Q HA -0.101 4.239 4.340 0.000 0.000 0.198 431 Q C 2.157 177.922 176.000 -0.392 0.000 0.978 431 Q CA 1.477 56.736 55.803 -0.907 0.000 0.830 431 Q CB -0.212 27.834 28.738 -1.155 0.000 0.896 431 Q HN 0.656 nan 8.270 nan 0.000 0.431 432 M N -0.310 119.136 119.600 -0.257 0.000 2.108 432 M HA -0.225 4.255 4.480 0.000 0.000 0.257 432 M C 1.822 177.994 176.300 -0.213 0.000 1.071 432 M CA 1.677 56.832 55.300 -0.241 0.000 1.093 432 M CB -0.331 32.103 32.600 -0.276 0.000 1.345 432 M HN 0.227 nan 8.290 nan 0.000 0.403 433 F N -0.832 119.119 119.950 0.001 0.000 2.407 433 F HA -0.097 4.430 4.527 0.000 0.000 0.299 433 F C 2.802 178.688 175.800 0.143 0.000 1.097 433 F CA 1.048 59.136 58.000 0.148 0.000 1.422 433 F CB -0.442 38.747 39.000 0.315 0.000 1.067 433 F HN 0.121 nan 8.300 nan 0.000 0.539 434 S N -0.280 115.509 115.700 0.149 0.000 2.371 434 S HA -0.150 4.320 4.470 0.000 0.000 0.224 434 S C 1.860 176.510 174.600 0.084 0.000 1.029 434 S CA 1.336 59.600 58.200 0.107 0.000 0.978 434 S CB -0.274 62.940 63.200 0.023 0.000 0.833 434 S HN 0.232 nan 8.310 nan 0.000 0.466 435 D N 1.428 121.827 120.400 -0.002 0.000 2.081 435 D HA -0.101 4.539 4.640 0.000 0.000 0.194 435 D C 2.074 178.399 176.300 0.041 0.000 0.986 435 D CA 1.264 55.256 54.000 -0.013 0.000 0.837 435 D CB -0.563 40.187 40.800 -0.083 0.000 0.985 435 D HN 0.376 nan 8.370 nan 0.000 0.448 436 M N 0.386 120.001 119.600 0.024 0.000 2.153 436 M HA -0.218 4.262 4.480 0.000 0.000 0.253 436 M C 2.276 178.723 176.300 0.245 0.000 1.081 436 M CA 1.205 56.554 55.300 0.081 0.000 1.076 436 M CB -0.303 32.296 32.600 -0.001 0.000 1.350 436 M HN -0.059 nan 8.290 nan 0.000 0.401 437 V N 0.098 120.196 119.914 0.306 0.000 2.346 437 V HA -0.193 3.927 4.120 0.000 0.000 0.244 437 V C 2.138 178.348 176.094 0.195 0.000 1.037 437 V CA 1.388 63.862 62.300 0.291 0.000 1.029 437 V CB -0.322 31.695 31.823 0.324 0.000 0.663 437 V HN 0.453 nan 8.190 nan 0.000 0.454 438 L N -1.035 120.277 121.223 0.148 0.000 2.209 438 L HA -0.027 4.313 4.340 0.000 0.000 0.207 438 L C 2.274 179.187 176.870 0.071 0.000 1.094 438 L CA 1.300 56.203 54.840 0.105 0.000 0.790 438 L CB -0.330 41.779 42.059 0.083 0.000 0.932 438 L HN 0.276 nan 8.230 nan 0.000 0.447 439 K N -0.285 120.148 120.400 0.054 0.000 2.253 439 K HA 0.046 4.366 4.320 0.000 0.000 0.225 439 K C 1.218 177.832 176.600 0.025 0.000 1.037 439 K CA 0.200 56.503 56.287 0.026 0.000 0.928 439 K CB -0.001 32.499 32.500 0.001 0.000 1.057 439 K HN 0.014 nan 8.250 nan 0.000 0.462 440 D N 1.061 121.472 120.400 0.017 0.000 2.411 440 D HA -0.070 4.570 4.640 0.000 0.000 0.226 440 D C 0.605 176.928 176.300 0.039 0.000 0.988 440 D CA 1.110 55.116 54.000 0.009 0.000 0.938 440 D CB -0.306 40.482 40.800 -0.020 0.000 0.883 440 D HN 0.638 nan 8.370 nan 0.000 0.525 441 G N 1.672 110.506 108.800 0.058 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 0.027 174.966 174.900 0.065 0.000 1.040 441 G CA -0.058 45.066 45.100 0.040 0.000 0.942 441 G HN 0.364 nan 8.290 nan 0.000 0.506 442 F N 0.382 120.308 119.950 -0.040 0.000 2.429 442 F HA 0.565 5.092 4.527 0.000 0.000 0.348 442 F C 0.541 176.258 175.800 -0.138 0.000 1.109 442 F CA -0.949 57.034 58.000 -0.029 0.000 1.232 442 F CB 0.928 39.961 39.000 0.056 0.000 1.157 442 F HN 0.221 nan 8.300 nan 0.000 0.564 443 Q N 7.461 126.908 119.800 -0.587 0.000 3.244 443 Q HA 0.250 4.590 4.340 0.000 0.000 0.249 443 Q C -2.493 173.133 176.000 -0.624 0.000 0.951 443 Q CA -2.036 53.105 55.803 -1.104 0.000 0.740 443 Q CB 1.156 29.233 28.738 -1.102 0.000 1.334 443 Q HN 0.439 nan 8.270 nan 0.000 0.448 444 P HA -0.008 nan 4.420 nan 0.000 0.264 444 P C 0.184 177.599 177.300 0.192 0.000 1.193 444 P CA 0.387 63.411 63.100 -0.127 0.000 0.763 444 P CB 1.629 33.259 31.700 -0.117 0.000 0.810 445 S N 2.768 118.583 115.700 0.191 0.000 2.402 445 S HA -0.069 4.401 4.470 0.000 0.000 0.229 445 S C 1.008 175.715 174.600 0.179 0.000 1.021 445 S CA 0.975 59.282 58.200 0.178 0.000 0.974 445 S CB -0.138 63.134 63.200 0.120 0.000 0.800 445 S HN 0.524 nan 8.310 nan 0.000 0.484 446 R N 0.593 121.226 120.500 0.221 0.000 2.873 446 R HA 0.561 4.901 4.340 0.000 0.000 0.264 446 R C -0.367 176.097 176.300 0.272 0.000 1.026 446 R CA -0.493 55.771 56.100 0.272 0.000 1.002 446 R CB 1.159 31.692 30.300 0.387 0.000 1.174 446 R HN 0.020 nan 8.270 nan 0.000 0.488 447 S N 0.695 116.571 115.700 0.293 0.000 2.624 447 S HA 0.432 4.902 4.470 0.000 0.000 0.263 447 S C 0.150 174.884 174.600 0.222 0.000 1.287 447 S CA -0.380 57.952 58.200 0.220 0.000 0.990 447 S CB 0.472 63.765 63.200 0.156 0.000 0.950 447 S HN 0.331 nan 8.310 nan 0.000 0.561 448 I N 1.410 122.057 120.570 0.129 0.000 2.499 448 I HA 0.418 4.588 4.170 0.000 0.000 0.288 448 I C -0.964 175.124 176.117 -0.048 0.000 1.048 448 I CA -0.291 60.998 61.300 -0.019 0.000 1.062 448 I CB 1.400 39.344 38.000 -0.094 0.000 1.238 448 I HN 0.397 nan 8.210 nan 0.000 0.426 449 I N 5.567 126.070 120.570 -0.113 0.000 2.377 449 I HA 0.401 4.571 4.170 0.000 0.000 0.293 449 I C -1.036 174.879 176.117 -0.336 0.000 0.987 449 I CA -0.516 60.771 61.300 -0.022 0.000 1.185 449 I CB 1.535 39.660 38.000 0.208 0.000 1.341 449 I HN 0.326 nan 8.210 nan 0.000 0.455 450 F N 4.696 124.564 119.950 -0.137 0.000 2.444 450 F HA 0.667 5.194 4.527 0.000 0.000 0.342 450 F C 0.340 175.989 175.800 -0.252 0.000 1.121 450 F CA -0.542 57.337 58.000 -0.202 0.000 0.997 450 F CB 1.769 40.569 39.000 -0.334 0.000 1.130 450 F HN 0.385 nan 8.300 nan 0.000 0.454 451 A N 1.881 124.520 122.820 -0.301 0.000 2.356 451 A HA 0.665 4.985 4.320 0.000 0.000 0.310 451 A C -0.801 176.247 177.584 -0.893 0.000 1.075 451 A CA -0.694 50.821 52.037 -0.870 0.000 0.746 451 A CB 1.576 19.600 19.000 -1.627 0.000 1.221 451 A HN 0.546 nan 8.150 nan 0.000 0.443 452 S N 2.280 117.492 115.700 -0.813 0.000 2.520 452 S HA 0.602 5.072 4.470 0.000 0.000 0.324 452 S C -0.948 173.359 174.600 -0.487 0.000 1.069 452 S CA -0.426 57.460 58.200 -0.524 0.000 1.121 452 S CB -0.214 62.776 63.200 -0.349 0.000 0.971 452 S HN 0.521 nan 8.310 nan 0.000 0.463 453 W N 2.602 123.827 121.300 -0.125 0.000 2.415 453 W HA 0.724 5.384 4.660 0.000 0.000 0.355 453 W C 0.732 177.244 176.519 -0.012 0.000 1.161 453 W CA -0.866 56.429 57.345 -0.083 0.000 1.315 453 W CB 0.618 30.078 29.460 0.002 0.000 1.261 453 W HN 0.489 nan 8.180 nan 0.000 0.636 454 S N 0.133 116.003 115.700 0.283 0.000 2.715 454 S HA 0.598 5.068 4.470 0.000 0.000 0.307 454 S C 0.226 174.946 174.600 0.200 0.000 1.119 454 S CA -0.024 58.294 58.200 0.197 0.000 0.937 454 S CB 1.053 64.332 63.200 0.131 0.000 1.150 454 S HN 1.607 nan 8.310 nan 0.000 0.521 455 A N 0.206 123.156 122.820 0.215 0.000 2.872 455 A HA -0.129 4.191 4.320 0.000 0.000 0.273 455 A C 1.247 179.021 177.584 0.316 0.000 1.442 455 A CA 1.435 53.639 52.037 0.278 0.000 0.801 455 A CB -2.254 16.817 19.000 0.117 0.000 1.031 455 A HN 1.432 nan 8.150 nan 0.000 0.582 456 G N -0.969 107.996 108.800 0.276 0.000 2.430 456 G HA2 0.024 3.984 3.960 0.000 0.000 0.216 456 G HA3 0.024 3.984 3.960 0.000 0.000 0.216 456 G C 0.926 175.959 174.900 0.222 0.000 1.146 456 G CA 1.204 46.432 45.100 0.213 0.000 0.793 456 G HN 0.542 nan 8.290 nan 0.000 0.537 457 D N 0.167 120.726 120.400 0.265 0.000 2.309 457 D HA -0.029 4.611 4.640 0.000 0.000 0.212 457 D C 1.191 177.513 176.300 0.036 0.000 0.968 457 D CA 0.484 54.589 54.000 0.175 0.000 0.882 457 D CB -0.112 40.765 40.800 0.128 0.000 0.918 457 D HN 0.378 nan 8.370 nan 0.000 0.503 458 F N -0.730 119.307 119.950 0.144 0.000 2.664 458 F HA 0.350 4.877 4.527 0.000 0.000 0.303 458 F C 1.403 176.917 175.800 -0.477 0.000 1.092 458 F CA 0.015 58.003 58.000 -0.021 0.000 1.305 458 F CB 0.692 39.820 39.000 0.213 0.000 1.054 458 F HN -0.097 nan 8.300 nan 0.000 0.565 459 G N -0.238 108.479 108.800 -0.139 0.000 2.629 459 G HA2 -0.109 3.851 3.960 0.000 0.000 0.154 459 G HA3 -0.109 3.851 3.960 0.000 0.000 0.154 459 G C 0.385 175.311 174.900 0.042 0.000 1.077 459 G CA -0.429 44.634 45.100 -0.062 0.000 0.831 459 G HN 0.126 nan 8.290 nan 0.000 0.495 460 S N -2.254 113.483 115.700 0.063 0.000 3.559 460 S HA -0.280 4.190 4.470 0.000 0.000 0.369 460 S C 1.983 176.546 174.600 -0.061 0.000 0.987 460 S CA 0.921 59.119 58.200 -0.003 0.000 1.187 460 S CB -1.526 61.665 63.200 -0.014 0.000 0.914 460 S HN 1.420 nan 8.310 nan 0.000 0.480 461 V N 1.117 121.030 119.914 -0.000 0.000 2.261 461 V HA -0.186 3.934 4.120 0.000 0.000 0.246 461 V C 2.772 178.804 176.094 -0.102 0.000 1.047 461 V CA 2.399 64.673 62.300 -0.043 0.000 1.015 461 V CB -1.409 30.426 31.823 0.020 0.000 0.642 461 V HN 0.737 nan 8.190 nan 0.000 0.446 462 G N -0.233 108.556 108.800 -0.019 0.000 2.491 462 G HA2 -0.282 3.678 3.960 0.000 0.000 0.218 462 G HA3 -0.282 3.678 3.960 0.000 0.000 0.218 462 G C 1.781 176.639 174.900 -0.070 0.000 1.180 462 G CA 1.367 46.504 45.100 0.061 0.000 0.774 462 G HN 0.635 nan 8.290 nan 0.000 0.562 463 A N 0.011 122.531 122.820 -0.499 0.000 1.902 463 A HA -0.027 4.293 4.320 0.000 0.000 0.217 463 A C 2.546 179.830 177.584 -0.499 0.000 1.181 463 A CA 2.547 53.918 52.037 -1.110 0.000 0.623 463 A CB -0.984 17.157 19.000 -1.432 0.000 0.818 463 A HN 0.321 nan 8.150 nan 0.000 0.443 464 T N -0.007 114.337 114.554 -0.350 0.000 2.746 464 T HA -0.099 4.251 4.350 0.000 0.000 0.267 464 T C 1.772 176.328 174.700 -0.239 0.000 1.039 464 T CA 1.427 63.358 62.100 -0.282 0.000 1.142 464 T CB -0.224 68.505 68.868 -0.230 0.000 0.866 464 T HN 0.459 nan 8.240 nan 0.000 0.444 465 E N 0.095 120.138 120.200 -0.260 0.000 2.153 465 E HA -0.109 4.241 4.350 0.000 0.000 0.194 465 E C 1.736 178.280 176.600 -0.093 0.000 0.988 465 E CA 0.719 56.887 56.400 -0.387 0.000 0.811 465 E CB -0.312 28.853 29.700 -0.892 0.000 0.746 465 E HN 0.646 nan 8.360 nan 0.000 0.466 466 W N 1.532 122.841 121.300 0.015 0.000 2.378 466 W HA -0.098 4.562 4.660 -0.000 0.000 0.313 466 W C 2.046 178.730 176.519 0.275 0.000 1.197 466 W CA 1.223 58.811 57.345 0.404 0.000 1.304 466 W CB -0.573 29.294 29.460 0.679 0.000 1.148 466 W HN -0.030 nan 8.180 nan 0.000 0.494 467 L N 0.337 121.631 121.223 0.119 0.000 2.079 467 L HA -0.230 4.110 4.340 0.000 0.000 0.210 467 L C 2.302 179.207 176.870 0.057 0.000 1.081 467 L CA 1.876 56.692 54.840 -0.040 0.000 0.752 467 L CB -0.856 41.162 42.059 -0.069 0.000 0.896 467 L HN 0.063 nan 8.230 nan 0.000 0.433 468 E N -0.318 119.896 120.200 0.022 0.000 2.158 468 E HA -0.090 4.260 4.350 0.000 0.000 0.191 468 E C 2.244 178.810 176.600 -0.057 0.000 0.982 468 E CA 0.777 57.191 56.400 0.022 0.000 0.823 468 E CB -0.180 29.437 29.700 -0.139 0.000 0.766 468 E HN 0.541 nan 8.360 nan 0.000 0.468 469 G N 0.605 109.313 108.800 -0.154 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 0.761 175.361 174.900 -0.500 0.000 1.189 469 G CA 0.373 45.301 45.100 -0.287 0.000 0.789 469 G HN 0.233 nan 8.290 nan 0.000 0.533 470 Y N 0.493 120.744 120.300 -0.082 0.000 2.683 470 Y HA 0.365 4.915 4.550 0.000 0.000 0.297 470 Y C 1.859 177.654 175.900 -0.175 0.000 1.147 470 Y CA -0.882 57.117 58.100 -0.168 0.000 1.274 470 Y CB 0.172 38.420 38.460 -0.354 0.000 1.143 470 Y HN 0.136 nan 8.280 nan 0.000 0.527 471 L N 0.889 122.077 121.223 -0.058 0.000 1.976 471 L HA -0.383 3.957 4.340 0.000 0.000 0.223 471 L C 2.487 179.335 176.870 -0.036 0.000 1.081 471 L CA 2.685 57.486 54.840 -0.065 0.000 0.784 471 L CB -0.915 41.110 42.059 -0.057 0.000 0.896 471 L HN 0.367 nan 8.230 nan 0.000 0.438 472 S N -2.036 113.653 115.700 -0.019 0.000 2.420 472 S HA -0.181 4.289 4.470 0.000 0.000 0.237 472 S C 1.866 176.497 174.600 0.051 0.000 1.023 472 S CA 1.453 59.655 58.200 0.003 0.000 0.991 472 S CB -0.841 62.359 63.200 -0.000 0.000 0.792 472 S HN 0.568 nan 8.310 nan 0.000 0.488 473 S N 1.039 116.781 115.700 0.070 0.000 2.470 473 S HA 0.278 4.748 4.470 0.000 0.000 0.225 473 S C 1.387 176.056 174.600 0.116 0.000 1.006 473 S CA 0.357 58.615 58.200 0.096 0.000 0.934 473 S CB -0.192 63.074 63.200 0.110 0.000 0.778 473 S HN 0.309 nan 8.310 nan 0.000 0.517 474 L N 0.554 121.815 121.223 0.064 0.000 2.354 474 L HA 0.229 4.569 4.340 0.000 0.000 0.212 474 L C 0.808 177.673 176.870 -0.008 0.000 1.091 474 L CA 0.512 55.374 54.840 0.036 0.000 0.828 474 L CB -1.089 40.956 42.059 -0.023 0.000 0.973 474 L HN 0.259 nan 8.230 nan 0.000 0.461 475 H N 1.429 120.429 119.070 -0.116 0.000 3.237 475 H HA -0.023 4.533 4.556 0.000 0.000 0.270 475 H C 0.826 176.024 175.328 -0.217 0.000 0.900 475 H CA 0.170 56.098 56.048 -0.199 0.000 1.415 475 H CB -0.235 29.394 29.762 -0.221 0.000 1.484 475 H HN 0.161 nan 8.280 nan 0.000 0.540 476 L N 3.177 124.078 121.223 -0.537 0.000 4.429 476 L HA -0.375 3.965 4.340 0.000 0.000 0.422 476 L C 0.961 177.594 176.870 -0.394 0.000 1.149 476 L CA 0.929 55.446 54.840 -0.538 0.000 0.972 476 L CB -1.063 40.546 42.059 -0.750 0.000 2.059 476 L HN 0.572 nan 8.230 nan 0.000 0.870 477 K N 0.010 120.242 120.400 -0.281 0.000 2.362 477 K HA 0.395 4.715 4.320 0.000 0.000 0.203 477 K C 0.940 177.270 176.600 -0.450 0.000 1.198 477 K CA 1.009 57.156 56.287 -0.234 0.000 0.908 477 K CB 0.300 32.808 32.500 0.012 0.000 1.236 477 K HN 0.225 nan 8.250 nan 0.000 0.487 478 A N 2.180 124.684 122.820 -0.526 0.000 2.347 478 A HA 0.354 4.674 4.320 0.000 0.000 0.287 478 A C 0.422 177.874 177.584 -0.220 0.000 1.199 478 A CA -0.268 51.410 52.037 -0.598 0.000 0.851 478 A CB -0.585 18.276 19.000 -0.231 0.000 1.118 478 A HN 0.337 nan 8.150 nan 0.000 0.525 479 F N 0.559 120.381 119.950 -0.214 0.000 2.682 479 F HA 0.492 5.019 4.527 0.000 0.000 0.308 479 F C 0.134 175.916 175.800 -0.029 0.000 1.093 479 F CA -0.224 57.703 58.000 -0.122 0.000 1.244 479 F CB 0.181 39.088 39.000 -0.156 0.000 1.052 479 F HN 0.304 nan 8.300 nan 0.000 0.573 480 T N -0.117 114.187 114.554 -0.417 0.000 3.087 480 T HA 0.262 4.612 4.350 0.000 0.000 0.351 480 T C -2.491 172.107 174.700 -0.169 0.000 1.520 480 T CA -0.538 61.430 62.100 -0.219 0.000 1.111 480 T CB 1.744 70.479 68.868 -0.221 0.000 1.353 480 T HN 0.160 nan 8.240 nan 0.000 0.481 481 Y N 2.810 122.976 120.300 -0.223 0.000 2.425 481 Y HA 0.804 5.354 4.550 0.000 0.000 0.344 481 Y C -1.522 174.246 175.900 -0.220 0.000 0.969 481 Y CA -1.223 56.681 58.100 -0.327 0.000 1.052 481 Y CB 0.968 39.008 38.460 -0.699 0.000 1.215 481 Y HN 0.613 nan 8.280 nan 0.000 0.451 482 I N 6.348 126.325 120.570 -0.988 0.000 2.418 482 I HA 0.286 4.456 4.170 0.000 0.000 0.287 482 I C -0.661 174.948 176.117 -0.846 0.000 1.008 482 I CA -0.701 60.249 61.300 -0.584 0.000 1.104 482 I CB 1.543 39.443 38.000 -0.167 0.000 1.264 482 I HN 0.639 nan 8.210 nan 0.000 0.438 483 N N 6.001 124.423 118.700 -0.463 0.000 2.473 483 N HA 0.429 5.169 4.740 0.000 0.000 0.291 483 N C 0.065 175.464 175.510 -0.185 0.000 1.083 483 N CA -0.395 52.524 53.050 -0.217 0.000 0.951 483 N CB 1.736 40.275 38.487 0.087 0.000 1.164 483 N HN 0.604 nan 8.380 nan 0.000 0.480 484 L N 1.042 122.204 121.223 -0.100 0.000 2.766 484 L HA 0.240 4.580 4.340 0.000 0.000 0.242 484 L C -0.062 176.743 176.870 -0.108 0.000 1.136 484 L CA -0.247 54.512 54.840 -0.135 0.000 0.933 484 L CB 0.159 42.213 42.059 -0.009 0.000 1.241 484 L HN 0.394 nan 8.230 nan 0.000 0.522 485 D N 2.087 122.463 120.400 -0.040 0.000 2.423 485 D HA 0.005 4.645 4.640 0.000 0.000 0.238 485 D C 0.466 176.723 176.300 -0.071 0.000 1.142 485 D CA 0.226 54.222 54.000 -0.006 0.000 0.884 485 D CB 0.602 41.441 40.800 0.063 0.000 1.199 485 D HN 0.011 nan 8.370 nan 0.000 0.438 486 K N 0.447 120.820 120.400 -0.044 0.000 3.078 486 K HA -0.259 4.061 4.320 0.000 0.000 0.261 486 K C 0.740 177.271 176.600 -0.115 0.000 0.947 486 K CA 0.411 56.655 56.287 -0.070 0.000 0.702 486 K CB -1.246 31.225 32.500 -0.049 0.000 1.318 486 K HN 0.500 nan 8.250 nan 0.000 0.473 487 A N 0.089 122.832 122.820 -0.127 0.000 2.066 487 A HA 0.049 4.369 4.320 0.000 0.000 0.218 487 A C 0.838 178.443 177.584 0.036 0.000 1.157 487 A CA 0.914 52.867 52.037 -0.140 0.000 0.670 487 A CB 0.585 19.494 19.000 -0.151 0.000 0.804 487 A HN 0.130 nan 8.150 nan 0.000 0.453 488 V N 0.420 120.336 119.914 0.003 0.000 2.409 488 V HA 0.396 4.516 4.120 0.000 0.000 0.290 488 V C 0.115 176.150 176.094 -0.099 0.000 1.017 488 V CA -0.199 62.119 62.300 0.029 0.000 0.841 488 V CB 1.280 33.108 31.823 0.007 0.000 1.003 488 V HN 0.404 nan 8.190 nan 0.000 0.426 489 L N 3.416 124.598 121.223 -0.068 0.000 3.174 489 L HA 0.659 4.999 4.340 0.000 0.000 0.283 489 L C 0.938 177.808 176.870 -0.000 0.000 1.187 489 L CA 0.496 55.231 54.840 -0.175 0.000 1.018 489 L CB 1.111 43.104 42.059 -0.110 0.000 1.433 489 L HN 0.784 nan 8.230 nan 0.000 0.593 490 G N -1.017 107.819 108.800 0.060 0.000 2.510 490 G HA2 0.375 4.335 3.960 0.000 0.000 0.277 490 G HA3 0.375 4.335 3.960 0.000 0.000 0.277 490 G C -0.297 174.680 174.900 0.129 0.000 1.223 490 G CA 0.610 45.769 45.100 0.099 0.000 0.887 490 G HN -0.274 nan 8.290 nan 0.000 0.485 491 T N -0.453 114.190 114.554 0.148 0.000 3.254 491 T HA 0.160 4.510 4.350 0.000 0.000 0.267 491 T C 2.427 177.299 174.700 0.287 0.000 0.946 491 T CA 1.075 63.291 62.100 0.193 0.000 0.991 491 T CB -0.160 68.807 68.868 0.166 0.000 1.205 491 T HN 0.359 nan 8.240 nan 0.000 0.494 492 S N 2.649 118.478 115.700 0.215 0.000 2.380 492 S HA -0.078 4.392 4.470 0.000 0.000 0.229 492 S C 0.949 175.700 174.600 0.252 0.000 1.050 492 S CA 1.290 59.616 58.200 0.210 0.000 1.100 492 S CB -0.255 63.015 63.200 0.117 0.000 0.984 492 S HN 0.492 nan 8.310 nan 0.000 0.434 493 N N -0.463 118.349 118.700 0.188 0.000 2.457 493 N HA 0.509 5.249 4.740 0.000 0.000 0.290 493 N C -1.364 174.230 175.510 0.140 0.000 1.232 493 N CA -0.522 52.622 53.050 0.157 0.000 0.852 493 N CB 1.232 39.763 38.487 0.073 0.000 1.313 493 N HN 0.222 nan 8.380 nan 0.000 0.522 494 F N 1.079 120.958 119.950 -0.118 0.000 2.610 494 F HA 0.438 4.965 4.527 0.000 0.000 0.355 494 F C -0.847 174.836 175.800 -0.195 0.000 1.140 494 F CA -0.705 57.087 58.000 -0.347 0.000 1.037 494 F CB 0.598 39.309 39.000 -0.482 0.000 1.287 494 F HN 0.193 nan 8.300 nan 0.000 0.457 495 K N 3.278 123.337 120.400 -0.569 0.000 2.139 495 K HA 0.871 5.191 4.320 0.000 0.000 0.243 495 K C -1.310 174.950 176.600 -0.566 0.000 0.983 495 K CA -0.855 55.179 56.287 -0.421 0.000 0.890 495 K CB 2.149 34.518 32.500 -0.218 0.000 1.090 495 K HN 0.387 nan 8.250 nan 0.000 0.445 496 V N 0.465 120.204 119.914 -0.292 0.000 2.891 496 V HA 0.437 4.557 4.120 0.000 0.000 0.304 496 V C -1.371 174.697 176.094 -0.043 0.000 1.171 496 V CA -0.689 61.511 62.300 -0.167 0.000 0.943 496 V CB 2.434 34.179 31.823 -0.131 0.000 1.037 496 V HN 0.718 nan 8.190 nan 0.000 0.427 497 S N 2.613 118.301 115.700 -0.020 0.000 2.594 497 S HA 0.963 5.433 4.470 0.000 0.000 0.296 497 S C -0.440 174.149 174.600 -0.019 0.000 1.124 497 S CA 0.126 58.310 58.200 -0.026 0.000 1.011 497 S CB 1.750 64.923 63.200 -0.046 0.000 1.016 497 S HN 1.382 nan 8.310 nan 0.000 0.485 498 A N 1.744 124.536 122.820 -0.047 0.000 2.515 498 A HA 0.761 5.081 4.320 0.000 0.000 0.292 498 A C -0.419 176.981 177.584 -0.306 0.000 1.065 498 A CA -0.690 51.280 52.037 -0.112 0.000 0.641 498 A CB 0.485 19.477 19.000 -0.012 0.000 1.306 498 A HN 0.778 nan 8.150 nan 0.000 0.441 499 S N 0.102 115.575 115.700 -0.378 0.000 2.560 499 S HA 0.349 4.819 4.470 0.000 0.000 0.284 499 S C -1.485 172.671 174.600 -0.741 0.000 1.327 499 S CA -0.258 57.625 58.200 -0.529 0.000 1.055 499 S CB 0.455 63.510 63.200 -0.242 0.000 0.868 499 S HN 0.345 nan 8.310 nan 0.000 0.506 500 P HA -0.048 nan 4.420 nan 0.000 0.219 500 P C 1.189 177.940 177.300 -0.914 0.000 1.146 500 P CA 0.944 63.028 63.100 -1.693 0.000 0.808 500 P CB -0.003 30.893 31.700 -1.341 0.000 0.779 501 L N -1.679 119.278 121.223 -0.444 0.000 2.353 501 L HA -0.123 4.217 4.340 0.000 0.000 0.220 501 L C 1.716 178.505 176.870 -0.134 0.000 1.133 501 L CA 1.086 55.840 54.840 -0.142 0.000 0.798 501 L CB -0.562 41.536 42.059 0.065 0.000 0.922 501 L HN 0.040 nan 8.230 nan 0.000 0.445 502 L N -2.450 118.665 121.223 -0.180 0.000 2.728 502 L HA 0.041 4.381 4.340 0.000 0.000 0.238 502 L C 1.785 178.710 176.870 0.092 0.000 1.143 502 L CA -0.424 54.359 54.840 -0.095 0.000 0.937 502 L CB -0.159 41.801 42.059 -0.164 0.000 1.225 502 L HN 0.101 nan 8.230 nan 0.000 0.507 503 Y N 1.012 121.303 120.300 -0.015 0.000 2.114 503 Y HA -0.203 4.347 4.550 0.000 0.000 0.284 503 Y C 2.811 178.846 175.900 0.225 0.000 1.143 503 Y CA 1.237 59.440 58.100 0.172 0.000 1.135 503 Y CB -1.252 37.218 38.460 0.016 0.000 0.980 503 Y HN 0.146 nan 8.280 nan 0.000 0.499 504 T N 1.198 115.900 114.554 0.245 0.000 2.665 504 T HA -0.214 4.136 4.350 0.000 0.000 0.268 504 T C 2.065 176.793 174.700 0.047 0.000 1.035 504 T CA 1.580 63.752 62.100 0.120 0.000 1.151 504 T CB -0.833 68.033 68.868 -0.002 0.000 0.862 504 T HN 0.208 nan 8.240 nan 0.000 0.438 505 L N 1.161 122.382 121.223 -0.002 0.000 2.042 505 L HA 0.002 4.342 4.340 0.000 0.000 0.210 505 L C 2.146 179.023 176.870 0.012 0.000 1.076 505 L CA 1.535 56.347 54.840 -0.047 0.000 0.749 505 L CB -0.828 41.166 42.059 -0.108 0.000 0.893 505 L HN 0.301 nan 8.230 nan 0.000 0.432 506 I N -0.500 120.082 120.570 0.020 0.000 2.286 506 I HA -0.272 3.898 4.170 0.000 0.000 0.248 506 I C 2.531 178.600 176.117 -0.080 0.000 1.115 506 I CA 1.529 62.866 61.300 0.062 0.000 1.392 506 I CB -0.299 37.734 38.000 0.055 0.000 1.065 506 I HN 0.474 nan 8.210 nan 0.000 0.418 507 E N 1.553 121.717 120.200 -0.061 0.000 2.017 507 E HA -0.244 4.106 4.350 0.000 0.000 0.193 507 E C 2.174 178.660 176.600 -0.190 0.000 0.997 507 E CA 1.350 57.664 56.400 -0.144 0.000 0.804 507 E CB 0.085 29.874 29.700 0.148 0.000 0.757 507 E HN 0.317 nan 8.360 nan 0.000 0.448 508 K N -0.301 120.011 120.400 -0.146 0.000 2.089 508 K HA -0.162 4.158 4.320 0.000 0.000 0.210 508 K C 2.241 178.737 176.600 -0.174 0.000 1.048 508 K CA 1.909 58.082 56.287 -0.190 0.000 0.926 508 K CB -0.296 32.096 32.500 -0.179 0.000 0.714 508 K HN 0.179 nan 8.250 nan 0.000 0.448 509 T N 1.358 115.855 114.554 -0.095 0.000 2.788 509 T HA -0.089 4.261 4.350 0.000 0.000 0.268 509 T C 1.767 176.361 174.700 -0.176 0.000 1.044 509 T CA 1.196 63.250 62.100 -0.077 0.000 1.139 509 T CB -0.056 68.847 68.868 0.059 0.000 0.867 509 T HN 0.206 nan 8.240 nan 0.000 0.454 510 M N 0.703 120.185 119.600 -0.197 0.000 2.394 510 M HA -0.006 4.474 4.480 0.000 0.000 0.264 510 M C 2.262 178.436 176.300 -0.209 0.000 1.073 510 M CA 1.158 56.325 55.300 -0.222 0.000 1.111 510 M CB -0.275 32.206 32.600 -0.197 0.000 1.401 510 M HN 0.280 nan 8.290 nan 0.000 0.448 511 Q N 0.295 119.911 119.800 -0.307 0.000 2.311 511 Q HA -0.105 4.235 4.340 0.000 0.000 0.203 511 Q C 1.111 176.578 176.000 -0.888 0.000 0.954 511 Q CA 1.251 56.762 55.803 -0.486 0.000 0.885 511 Q CB -0.145 28.293 28.738 -0.500 0.000 0.963 511 Q HN 0.658 nan 8.270 nan 0.000 0.471 512 N N -1.535 116.820 118.700 -0.575 0.000 2.171 512 N HA 0.077 4.817 4.740 0.000 0.000 0.212 512 N C -0.629 174.732 175.510 -0.250 0.000 1.184 512 N CA -0.091 52.643 53.050 -0.527 0.000 0.888 512 N CB 0.845 39.219 38.487 -0.190 0.000 1.038 512 N HN -0.188 nan 8.380 nan 0.000 0.517 513 V N 1.019 120.814 119.914 -0.197 0.000 2.483 513 V HA 0.380 4.500 4.120 0.000 0.000 0.295 513 V C -0.199 175.934 176.094 0.066 0.000 1.035 513 V CA -0.879 61.375 62.300 -0.077 0.000 0.896 513 V CB 1.772 33.487 31.823 -0.180 0.000 0.986 513 V HN 0.139 nan 8.190 nan 0.000 0.447 514 K N 2.089 122.554 120.400 0.108 0.000 2.182 514 K HA 0.400 4.720 4.320 0.000 0.000 0.262 514 K C -0.337 176.310 176.600 0.077 0.000 0.957 514 K CA -0.792 55.589 56.287 0.156 0.000 0.842 514 K CB 1.681 34.257 32.500 0.127 0.000 1.099 514 K HN 0.843 nan 8.250 nan 0.000 0.438 515 H N 4.656 123.728 119.070 0.003 0.000 3.070 515 H HA -0.025 4.531 4.556 0.000 0.000 0.313 515 H C -1.242 174.023 175.328 -0.106 0.000 0.997 515 H CA -1.049 54.988 56.048 -0.018 0.000 1.438 515 H CB 0.941 30.726 29.762 0.037 0.000 1.455 515 H HN 0.366 nan 8.280 nan 0.000 0.575 516 P HA -0.185 nan 4.420 nan 0.000 0.222 516 P C 0.669 178.015 177.300 0.077 0.000 1.142 516 P CA 1.011 64.070 63.100 -0.067 0.000 0.788 516 P CB 0.470 31.976 31.700 -0.323 0.000 0.767 517 V N -1.057 119.039 119.914 0.305 0.000 3.029 517 V HA -0.015 4.105 4.120 0.000 0.000 0.230 517 V C 2.417 178.428 176.094 -0.140 0.000 1.254 517 V CA 1.446 63.771 62.300 0.041 0.000 1.276 517 V CB -1.102 30.754 31.823 0.055 0.000 1.080 517 V HN -0.006 nan 8.190 nan 0.000 0.495 518 T N 0.394 114.677 114.554 -0.452 0.000 2.929 518 T HA 0.018 4.368 4.350 0.000 0.000 0.271 518 T C 1.682 176.278 174.700 -0.174 0.000 1.085 518 T CA 1.535 63.405 62.100 -0.384 0.000 1.125 518 T CB -0.377 68.151 68.868 -0.567 0.000 0.874 518 T HN 0.838 nan 8.240 nan 0.000 0.494 519 G N 0.720 109.467 108.800 -0.088 0.000 2.302 519 G HA2 -0.283 3.677 3.960 0.000 0.000 0.263 519 G HA3 -0.283 3.677 3.960 0.000 0.000 0.263 519 G C 0.306 175.149 174.900 -0.095 0.000 0.995 519 G CA 0.333 45.392 45.100 -0.069 0.000 0.622 519 G HN 0.462 nan 8.290 nan 0.000 0.538 520 Q N -0.338 119.406 119.800 -0.092 0.000 2.396 520 Q HA 0.524 4.864 4.340 0.000 0.000 0.221 520 Q C 0.671 176.688 176.000 0.028 0.000 1.025 520 Q CA -0.382 55.352 55.803 -0.115 0.000 0.946 520 Q CB 0.312 29.009 28.738 -0.069 0.000 1.224 520 Q HN 0.403 nan 8.270 nan 0.000 0.539 521 F N 0.664 120.626 119.950 0.021 0.000 2.459 521 F HA -0.040 4.487 4.527 0.000 0.000 0.346 521 F C 1.880 177.694 175.800 0.023 0.000 1.128 521 F CA -0.589 57.422 58.000 0.018 0.000 1.268 521 F CB 0.555 39.578 39.000 0.038 0.000 1.161 521 F HN 0.381 nan 8.300 nan 0.000 0.583 522 L N 1.948 123.275 121.223 0.172 0.000 2.093 522 L HA -0.219 4.121 4.340 0.000 0.000 0.208 522 L C 0.716 177.620 176.870 0.057 0.000 1.085 522 L CA 0.844 55.690 54.840 0.010 0.000 0.755 522 L CB -0.347 41.530 42.059 -0.303 0.000 0.904 522 L HN 0.524 nan 8.230 nan 0.000 0.435 523 Y N 1.133 121.396 120.300 -0.063 0.000 2.730 523 Y HA -0.086 4.464 4.550 0.000 0.000 0.357 523 Y C 1.129 177.050 175.900 0.035 0.000 1.167 523 Y CA 0.300 58.355 58.100 -0.075 0.000 1.579 523 Y CB 0.206 38.603 38.460 -0.105 0.000 1.262 523 Y HN 0.095 nan 8.280 nan 0.000 0.510 524 Q N 2.240 121.915 119.800 -0.208 0.000 2.288 524 Q HA 0.115 4.455 4.340 0.000 0.000 0.256 524 Q C -1.003 174.864 176.000 -0.222 0.000 0.835 524 Q CA 0.294 56.020 55.803 -0.128 0.000 0.958 524 Q CB 0.680 29.411 28.738 -0.012 0.000 1.125 524 Q HN 0.693 nan 8.270 nan 0.000 0.513 525 D N -0.923 119.285 120.400 -0.321 0.000 2.492 525 D HA 0.157 4.797 4.640 0.000 0.000 0.248 525 D C 0.250 176.384 176.300 -0.276 0.000 1.101 525 D CA -0.148 53.735 54.000 -0.195 0.000 0.840 525 D CB 1.527 42.306 40.800 -0.035 0.000 1.209 525 D HN 0.012 nan 8.370 nan 0.000 0.524 526 S N 2.903 118.495 115.700 -0.180 0.000 2.603 526 S HA 0.029 4.499 4.470 0.000 0.000 0.220 526 S C 0.634 175.298 174.600 0.107 0.000 0.967 526 S CA -0.026 58.184 58.200 0.016 0.000 0.920 526 S CB -0.116 63.160 63.200 0.125 0.000 0.773 526 S HN 0.449 nan 8.310 nan 0.000 0.529 527 N N 1.042 119.761 118.700 0.032 0.000 2.187 527 N HA 0.138 4.878 4.740 0.000 0.000 0.212 527 N C 1.257 176.676 175.510 -0.151 0.000 1.152 527 N CA 0.247 53.259 53.050 -0.064 0.000 0.872 527 N CB -0.012 38.449 38.487 -0.043 0.000 1.025 527 N HN 0.714 nan 8.380 nan 0.000 0.514 528 W N 1.650 122.883 121.300 -0.112 0.000 2.305 528 W HA -0.203 4.457 4.660 0.000 0.000 0.308 528 W C 1.386 177.803 176.519 -0.169 0.000 1.226 528 W CA 1.247 58.517 57.345 -0.126 0.000 1.253 528 W CB -1.266 28.122 29.460 -0.120 0.000 1.146 528 W HN -0.017 nan 8.180 nan 0.000 0.507 529 A N 1.668 123.380 122.820 -1.848 0.000 1.978 529 A HA -0.236 4.084 4.320 0.000 0.000 0.220 529 A C 2.200 179.302 177.584 -0.803 0.000 1.170 529 A CA 3.042 53.993 52.037 -1.810 0.000 0.636 529 A CB -1.274 16.753 19.000 -1.623 0.000 0.810 529 A HN 0.494 nan 8.150 nan 0.000 0.448 530 S N -1.365 114.050 115.700 -0.475 0.000 2.650 530 S HA 0.079 4.549 4.470 0.000 0.000 0.219 530 S C 1.312 175.821 174.600 -0.152 0.000 0.960 530 S CA 0.844 58.907 58.200 -0.228 0.000 0.925 530 S CB 0.153 63.267 63.200 -0.142 0.000 0.775 530 S HN 0.528 nan 8.310 nan 0.000 0.525 531 K N 1.537 121.826 120.400 -0.184 0.000 2.438 531 K HA 0.232 4.552 4.320 0.000 0.000 0.206 531 K C -0.446 176.104 176.600 -0.084 0.000 1.081 531 K CA -0.136 56.097 56.287 -0.091 0.000 1.053 531 K CB 0.476 32.944 32.500 -0.052 0.000 0.908 531 K HN 0.286 nan 8.250 nan 0.000 0.556 532 V N 2.740 122.560 119.914 -0.156 0.000 2.485 532 V HA 0.059 4.179 4.120 0.000 0.000 0.287 532 V C 0.240 176.311 176.094 -0.037 0.000 1.022 532 V CA 0.088 62.317 62.300 -0.119 0.000 1.067 532 V CB 0.558 32.234 31.823 -0.246 0.000 0.967 532 V HN 0.249 nan 8.190 nan 0.000 0.479 533 E N 4.330 124.515 120.200 -0.025 0.000 2.259 533 E HA 0.314 4.664 4.350 0.000 0.000 0.281 533 E C 0.212 176.809 176.600 -0.005 0.000 1.027 533 E CA -0.649 55.752 56.400 0.001 0.000 0.838 533 E CB 0.781 30.472 29.700 -0.015 0.000 1.066 533 E HN 0.731 nan 8.360 nan 0.000 0.401 534 K N 2.817 123.245 120.400 0.047 0.000 2.276 534 K HA 0.114 4.434 4.320 0.000 0.000 0.259 534 K C -0.389 176.226 176.600 0.025 0.000 1.001 534 K CA -0.770 55.528 56.287 0.018 0.000 0.927 534 K CB 0.411 33.068 32.500 0.263 0.000 0.969 534 K HN 0.207 nan 8.250 nan 0.000 0.490 535 L N 2.391 123.623 121.223 0.014 0.000 2.490 535 L HA 0.046 4.386 4.340 0.000 0.000 0.274 535 L C 0.543 177.482 176.870 0.115 0.000 1.201 535 L CA 0.893 55.787 54.840 0.091 0.000 0.869 535 L CB 0.446 42.595 42.059 0.150 0.000 1.123 535 L HN 1.032 nan 8.230 nan 0.000 0.484 536 T N 0.192 114.727 114.554 -0.032 0.000 2.950 536 T HA 0.459 4.809 4.350 0.000 0.000 0.288 536 T C 1.457 175.875 174.700 -0.469 0.000 1.035 536 T CA -0.910 61.030 62.100 -0.267 0.000 1.028 536 T CB 0.817 69.578 68.868 -0.179 0.000 1.109 536 T HN 0.412 nan 8.240 nan 0.000 0.514 537 L N 0.867 121.646 121.223 -0.740 0.000 2.137 537 L HA -0.148 4.192 4.340 0.000 0.000 0.213 537 L C 2.360 179.095 176.870 -0.225 0.000 1.085 537 L CA 2.007 56.462 54.840 -0.643 0.000 0.760 537 L CB -0.546 41.231 42.059 -0.469 0.000 0.893 537 L HN 0.846 nan 8.230 nan 0.000 0.434 538 D N -1.548 118.755 120.400 -0.161 0.000 2.363 538 D HA -0.116 4.524 4.640 0.000 0.000 0.226 538 D C 0.623 176.924 176.300 0.001 0.000 1.020 538 D CA 0.073 54.038 54.000 -0.057 0.000 0.892 538 D CB -0.501 40.239 40.800 -0.100 0.000 0.900 538 D HN 0.302 nan 8.370 nan 0.000 0.531 539 N N -0.160 118.548 118.700 0.013 0.000 2.426 539 N HA 0.373 5.113 4.740 0.000 0.000 0.275 539 N C 0.947 176.547 175.510 0.151 0.000 1.019 539 N CA -0.215 52.882 53.050 0.079 0.000 0.941 539 N CB 1.480 40.012 38.487 0.076 0.000 1.123 539 N HN -0.032 nan 8.380 nan 0.000 0.486 540 A N 3.127 126.045 122.820 0.163 0.000 2.131 540 A HA -0.119 4.201 4.320 0.000 0.000 0.220 540 A C 1.926 179.674 177.584 0.272 0.000 1.158 540 A CA 1.791 53.938 52.037 0.183 0.000 0.665 540 A CB -0.704 18.429 19.000 0.222 0.000 0.795 540 A HN 0.753 nan 8.150 nan 0.000 0.460 541 A N -1.513 121.493 122.820 0.311 0.000 2.067 541 A HA 0.146 4.466 4.320 0.000 0.000 0.217 541 A C 1.814 179.540 177.584 0.238 0.000 1.156 541 A CA 1.014 53.258 52.037 0.343 0.000 0.683 541 A CB -0.588 18.581 19.000 0.281 0.000 0.808 541 A HN 0.600 nan 8.150 nan 0.000 0.455 542 F N 1.826 121.810 119.950 0.057 0.000 2.065 542 F HA -0.107 4.420 4.527 0.000 0.000 0.298 542 F C -0.729 175.044 175.800 -0.045 0.000 1.112 542 F CA 2.191 60.163 58.000 -0.046 0.000 1.212 542 F CB -1.126 37.781 39.000 -0.155 0.000 0.975 542 F HN 0.172 nan 8.300 nan 0.000 0.476 543 P HA -0.183 nan 4.420 nan 0.000 0.215 543 P C 1.733 178.982 177.300 -0.084 0.000 1.153 543 P CA 1.789 64.825 63.100 -0.107 0.000 0.853 543 P CB -0.318 31.351 31.700 -0.053 0.000 0.788 544 F N -1.076 118.807 119.950 -0.112 0.000 2.091 544 F HA -0.188 4.339 4.527 0.000 0.000 0.299 544 F C 2.227 178.000 175.800 -0.044 0.000 1.103 544 F CA 1.266 59.221 58.000 -0.074 0.000 1.228 544 F CB -1.170 37.737 39.000 -0.156 0.000 0.984 544 F HN -0.121 nan 8.300 nan 0.000 0.477 545 L N -0.105 121.162 121.223 0.074 0.000 2.084 545 L HA 0.117 4.457 4.340 0.000 0.000 0.202 545 L C 2.315 179.149 176.870 -0.060 0.000 1.074 545 L CA 1.912 56.740 54.840 -0.020 0.000 0.757 545 L CB -1.271 40.713 42.059 -0.125 0.000 0.918 545 L HN 0.003 nan 8.230 nan 0.000 0.444 546 A N -1.729 120.936 122.820 -0.259 0.000 1.930 546 A HA -0.207 4.113 4.320 0.000 0.000 0.217 546 A C 2.160 179.868 177.584 0.206 0.000 1.175 546 A CA 1.849 53.801 52.037 -0.143 0.000 0.627 546 A CB -0.817 17.668 19.000 -0.858 0.000 0.815 546 A HN 0.654 nan 8.150 nan 0.000 0.443 547 Y N -0.216 120.130 120.300 0.076 0.000 2.314 547 Y HA 0.122 4.672 4.550 0.000 0.000 0.294 547 Y C 2.512 178.446 175.900 0.057 0.000 1.139 547 Y CA 1.307 59.480 58.100 0.122 0.000 1.162 547 Y CB -0.226 38.312 38.460 0.129 0.000 1.121 547 Y HN 0.196 nan 8.280 nan 0.000 0.529 548 S N -0.280 115.289 115.700 -0.219 0.000 2.428 548 S HA 0.121 4.591 4.470 0.000 0.000 0.230 548 S C 1.459 176.039 174.600 -0.032 0.000 1.014 548 S CA 1.101 59.137 58.200 -0.272 0.000 0.957 548 S CB -0.678 62.447 63.200 -0.124 0.000 0.784 548 S HN 0.908 nan 8.310 nan 0.000 0.499 549 G N 1.239 110.093 108.800 0.090 0.000 2.149 549 G HA2 -0.226 3.734 3.960 0.000 0.000 0.235 549 G HA3 -0.226 3.734 3.960 0.000 0.000 0.235 549 G C -0.063 174.947 174.900 0.183 0.000 1.018 549 G CA -0.150 45.072 45.100 0.202 0.000 0.728 549 G HN 0.492 nan 8.290 nan 0.000 0.508 550 I N 2.159 122.830 120.570 0.169 0.000 2.328 550 I HA 0.268 4.438 4.170 0.000 0.000 0.287 550 I C -1.834 174.378 176.117 0.157 0.000 1.012 550 I CA -2.502 58.904 61.300 0.176 0.000 1.195 550 I CB 1.590 39.754 38.000 0.274 0.000 1.350 550 I HN -0.128 nan 8.210 nan 0.000 0.464 551 P HA 0.033 nan 4.420 nan 0.000 0.261 551 P C -0.643 176.682 177.300 0.043 0.000 1.183 551 P CA 0.233 63.373 63.100 0.067 0.000 0.761 551 P CB 0.805 32.548 31.700 0.071 0.000 0.785 552 A N 3.314 126.143 122.820 0.015 0.000 2.435 552 A HA 0.816 5.136 4.320 0.000 0.000 0.296 552 A C -1.065 176.506 177.584 -0.021 0.000 1.147 552 A CA -0.779 51.289 52.037 0.051 0.000 0.775 552 A CB 2.143 21.258 19.000 0.191 0.000 1.340 552 A HN 0.429 nan 8.150 nan 0.000 0.427 553 V N -0.241 119.671 119.914 -0.004 0.000 3.048 553 V HA 0.807 4.927 4.120 0.000 0.000 0.303 553 V C -0.879 175.249 176.094 0.055 0.000 1.214 553 V CA 0.296 62.598 62.300 0.003 0.000 0.984 553 V CB 2.247 34.038 31.823 -0.055 0.000 1.054 553 V HN 1.645 nan 8.190 nan 0.000 0.430 554 S N 4.968 120.706 115.700 0.064 0.000 2.540 554 S HA 0.953 5.423 4.470 0.000 0.000 0.275 554 S C -1.337 173.263 174.600 0.001 0.000 1.123 554 S CA -0.364 57.819 58.200 -0.029 0.000 0.907 554 S CB 1.581 64.754 63.200 -0.046 0.000 1.081 554 S HN 1.621 nan 8.310 nan 0.000 0.476 555 F N 1.093 120.995 119.950 -0.080 0.000 2.686 555 F HA 0.876 5.403 4.527 0.000 0.000 0.311 555 F C -0.738 174.916 175.800 -0.243 0.000 1.128 555 F CA -1.086 56.763 58.000 -0.251 0.000 0.946 555 F CB 0.533 39.385 39.000 -0.248 0.000 1.336 555 F HN 0.879 nan 8.300 nan 0.000 0.457 556 C N -0.391 118.786 119.300 -0.205 0.000 3.311 556 C HA 0.766 5.226 4.460 0.000 0.000 0.325 556 C C -1.665 173.201 174.990 -0.206 0.000 1.352 556 C CA -1.259 57.687 59.018 -0.120 0.000 1.308 556 C CB 1.206 28.872 27.740 -0.124 0.000 1.619 556 C HN 0.883 nan 8.230 nan 0.000 0.469 557 F N 2.236 122.265 119.950 0.132 0.000 2.308 557 F HA 0.594 5.122 4.527 0.000 0.000 0.370 557 F C 0.965 176.781 175.800 0.027 0.000 1.100 557 F CA -0.128 57.937 58.000 0.110 0.000 1.108 557 F CB 0.928 39.958 39.000 0.050 0.000 1.293 557 F HN 1.018 nan 8.300 nan 0.000 0.478 558 C N 0.515 119.874 119.300 0.098 0.000 3.119 558 C HA 0.841 5.301 4.460 0.000 0.000 0.359 558 C C -0.158 174.871 174.990 0.065 0.000 1.486 558 C CA -0.935 58.116 59.018 0.055 0.000 1.556 558 C CB 1.425 29.158 27.740 -0.012 0.000 2.063 558 C HN 0.603 nan 8.230 nan 0.000 0.454 559 E N -0.473 119.752 120.200 0.042 0.000 2.334 559 E HA 0.393 4.743 4.350 0.000 0.000 0.256 559 E C -0.348 176.251 176.600 -0.001 0.000 0.958 559 E CA -0.352 56.069 56.400 0.034 0.000 0.821 559 E CB 0.963 30.682 29.700 0.032 0.000 1.269 559 E HN 0.649 nan 8.360 nan 0.000 0.413 560 D N -0.892 119.502 120.400 -0.010 0.000 2.355 560 D HA 0.067 4.707 4.640 0.000 0.000 0.218 560 D C -0.440 175.822 176.300 -0.064 0.000 1.004 560 D CA 0.658 54.639 54.000 -0.031 0.000 0.880 560 D CB 0.314 41.102 40.800 -0.020 0.000 0.911 560 D HN 0.106 nan 8.370 nan 0.000 0.528 561 T N 0.759 115.270 114.554 -0.073 0.000 2.895 561 T HA 0.229 4.579 4.350 0.000 0.000 0.283 561 T C -0.319 174.298 174.700 -0.140 0.000 1.014 561 T CA -0.863 61.156 62.100 -0.135 0.000 1.037 561 T CB 1.542 70.326 68.868 -0.140 0.000 1.006 561 T HN -0.134 nan 8.240 nan 0.000 0.468 562 D N 1.207 121.466 120.400 -0.235 0.000 2.382 562 D HA 0.054 4.694 4.640 0.000 0.000 0.245 562 D C -0.291 175.937 176.300 -0.120 0.000 1.120 562 D CA -0.103 53.797 54.000 -0.166 0.000 0.890 562 D CB 0.397 41.059 40.800 -0.231 0.000 1.201 562 D HN 0.455 nan 8.370 nan 0.000 0.433 563 Y N 4.418 124.649 120.300 -0.115 0.000 2.730 563 Y HA 0.039 4.589 4.550 0.000 0.000 0.354 563 Y C -1.127 174.709 175.900 -0.107 0.000 1.139 563 Y CA -1.773 56.259 58.100 -0.113 0.000 1.516 563 Y CB 0.503 38.941 38.460 -0.037 0.000 1.204 563 Y HN 0.292 nan 8.280 nan 0.000 0.520 564 P HA -0.314 nan 4.420 nan 0.000 0.218 564 P C 0.803 177.991 177.300 -0.187 0.000 1.154 564 P CA 2.053 64.939 63.100 -0.358 0.000 0.872 564 P CB -0.167 31.142 31.700 -0.652 0.000 0.790 565 Y N -0.787 119.369 120.300 -0.241 0.000 2.583 565 Y HA 0.089 4.639 4.550 0.000 0.000 0.293 565 Y C 1.670 177.678 175.900 0.181 0.000 1.157 565 Y CA -0.957 57.128 58.100 -0.026 0.000 1.315 565 Y CB -0.542 37.873 38.460 -0.075 0.000 1.021 565 Y HN -0.143 nan 8.280 nan 0.000 0.536 566 L N 0.807 122.250 121.223 0.366 0.000 2.578 566 L HA -0.054 4.286 4.340 0.000 0.000 0.279 566 L C 1.388 178.455 176.870 0.328 0.000 1.227 566 L CA 1.086 56.142 54.840 0.360 0.000 0.900 566 L CB 0.062 42.302 42.059 0.302 0.000 1.144 566 L HN 0.571 nan 8.230 nan 0.000 0.496 567 G N 1.544 110.551 108.800 0.345 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 0.248 175.461 174.900 0.523 0.000 0.981 567 G CA 0.456 45.791 45.100 0.393 0.000 0.670 567 G HN 0.841 nan 8.290 nan 0.000 0.528 568 T N -4.893 109.958 114.554 0.496 0.000 2.807 568 T HA 0.676 5.026 4.350 0.000 0.000 0.277 568 T C 1.114 176.054 174.700 0.400 0.000 1.006 568 T CA 0.734 63.141 62.100 0.511 0.000 1.006 568 T CB 1.717 70.800 68.868 0.358 0.000 1.274 568 T HN 0.124 nan 8.240 nan 0.000 0.569 569 T N 0.789 115.505 114.554 0.270 0.000 3.088 569 T HA 0.177 4.527 4.350 0.000 0.000 0.259 569 T C 1.541 176.256 174.700 0.024 0.000 1.122 569 T CA 0.581 62.729 62.100 0.080 0.000 1.095 569 T CB -0.322 68.561 68.868 0.026 0.000 0.930 569 T HN 0.483 nan 8.240 nan 0.000 0.508 570 M N 1.009 120.604 119.600 -0.008 0.000 2.561 570 M HA 0.123 4.603 4.480 0.000 0.000 0.238 570 M C 0.432 176.666 176.300 -0.109 0.000 1.131 570 M CA 0.353 55.521 55.300 -0.219 0.000 1.046 570 M CB -0.046 32.152 32.600 -0.669 0.000 1.532 570 M HN -0.038 nan 8.290 nan 0.000 0.497 571 D N 2.806 123.292 120.400 0.143 0.000 2.551 571 D HA 0.056 4.696 4.640 0.000 0.000 0.223 571 D C 0.035 176.457 176.300 0.203 0.000 1.144 571 D CA 0.188 54.367 54.000 0.298 0.000 1.025 571 D CB 0.262 41.278 40.800 0.359 0.000 1.085 571 D HN 0.218 nan 8.370 nan 0.000 0.506 572 T N -1.246 113.402 114.554 0.156 0.000 2.927 572 T HA 0.188 4.538 4.350 0.000 0.000 0.286 572 T C 0.998 175.803 174.700 0.175 0.000 1.040 572 T CA -0.814 61.371 62.100 0.143 0.000 1.010 572 T CB 0.806 69.725 68.868 0.085 0.000 1.177 572 T HN 0.149 nan 8.240 nan 0.000 0.546 573 Y N 1.565 121.913 120.300 0.081 0.000 2.114 573 Y HA -0.064 4.486 4.550 0.000 0.000 0.284 573 Y C 2.378 178.329 175.900 0.084 0.000 1.143 573 Y CA 1.832 59.980 58.100 0.081 0.000 1.135 573 Y CB -0.297 38.198 38.460 0.059 0.000 0.980 573 Y HN 0.525 nan 8.280 nan 0.000 0.499 574 K N 0.280 120.759 120.400 0.132 0.000 2.052 574 K HA -0.245 4.075 4.320 0.000 0.000 0.215 574 K C 1.873 178.462 176.600 -0.018 0.000 1.053 574 K CA 1.972 58.289 56.287 0.050 0.000 0.934 574 K CB -0.595 31.946 32.500 0.069 0.000 0.717 574 K HN 0.426 nan 8.250 nan 0.000 0.450 575 E N 0.731 120.946 120.200 0.026 0.000 2.072 575 E HA -0.125 4.225 4.350 0.000 0.000 0.191 575 E C 2.102 178.793 176.600 0.151 0.000 0.985 575 E CA 0.462 56.920 56.400 0.097 0.000 0.801 575 E CB -0.385 29.378 29.700 0.106 0.000 0.750 575 E HN 0.136 nan 8.360 nan 0.000 0.452 576 L N 1.114 122.402 121.223 0.109 0.000 1.989 576 L HA -0.125 4.215 4.340 0.000 0.000 0.211 576 L C 2.325 179.150 176.870 -0.077 0.000 1.071 576 L CA 1.554 56.438 54.840 0.073 0.000 0.749 576 L CB -0.583 41.459 42.059 -0.029 0.000 0.890 576 L HN 0.115 nan 8.230 nan 0.000 0.431 577 I N -1.091 119.294 120.570 -0.308 0.000 2.439 577 I HA -0.235 3.935 4.170 0.000 0.000 0.251 577 I C 2.412 178.471 176.117 -0.097 0.000 1.139 577 I CA 1.166 62.308 61.300 -0.264 0.000 1.438 577 I CB -0.037 37.683 38.000 -0.465 0.000 1.085 577 I HN 0.491 nan 8.210 nan 0.000 0.427 578 E N 0.702 120.865 120.200 -0.061 0.000 2.110 578 E HA -0.235 4.115 4.350 0.000 0.000 0.193 578 E C 2.273 178.894 176.600 0.035 0.000 0.988 578 E CA 1.034 57.435 56.400 0.003 0.000 0.804 578 E CB 0.101 29.815 29.700 0.024 0.000 0.745 578 E HN 0.467 nan 8.360 nan 0.000 0.458 579 R N -0.112 120.429 120.500 0.068 0.000 2.093 579 R HA 0.142 4.482 4.340 0.000 0.000 0.224 579 R C 1.191 177.532 176.300 0.069 0.000 1.101 579 R CA 0.820 56.976 56.100 0.094 0.000 0.979 579 R CB 0.181 30.586 30.300 0.175 0.000 0.877 579 R HN 0.189 nan 8.270 nan 0.000 0.441 580 I N 2.630 123.228 120.570 0.047 0.000 2.698 580 I HA 0.211 4.381 4.170 0.000 0.000 0.276 580 I C -2.107 174.007 176.117 -0.005 0.000 1.166 580 I CA -2.722 58.592 61.300 0.025 0.000 1.101 580 I CB 1.678 39.693 38.000 0.024 0.000 1.305 580 I HN -0.099 nan 8.210 nan 0.000 0.526 581 P HA -0.165 nan 4.420 nan 0.000 0.218 581 P C 0.321 177.624 177.300 0.005 0.000 1.148 581 P CA 1.389 64.489 63.100 -0.000 0.000 0.822 581 P CB 0.143 31.849 31.700 0.010 0.000 0.784 582 E N -0.310 119.890 120.200 0.001 0.000 2.296 582 E HA 0.143 4.493 4.350 0.000 0.000 0.196 582 E C 1.647 178.238 176.600 -0.015 0.000 1.143 582 E CA -0.270 56.128 56.400 -0.003 0.000 1.145 582 E CB -0.942 28.751 29.700 -0.011 0.000 1.215 582 E HN 0.186 nan 8.360 nan 0.000 0.447 583 L N 0.646 121.866 121.223 -0.004 0.000 1.963 583 L HA -0.368 3.972 4.340 0.000 0.000 0.220 583 L C 2.026 178.900 176.870 0.008 0.000 1.076 583 L CA 1.995 56.831 54.840 -0.005 0.000 0.772 583 L CB -0.204 41.865 42.059 0.016 0.000 0.892 583 L HN 0.326 nan 8.230 nan 0.000 0.435 584 N N -0.135 118.609 118.700 0.074 0.000 2.132 584 N HA -0.301 4.439 4.740 0.000 0.000 0.191 584 N C 1.815 177.368 175.510 0.071 0.000 1.015 584 N CA 1.960 55.093 53.050 0.138 0.000 0.864 584 N CB -0.098 38.486 38.487 0.161 0.000 1.006 584 N HN 0.243 nan 8.380 nan 0.000 0.430 585 K N -0.577 119.822 120.400 -0.001 0.000 2.062 585 K HA -0.006 4.314 4.320 0.000 0.000 0.205 585 K C 1.672 178.161 176.600 -0.184 0.000 1.051 585 K CA 0.925 57.178 56.287 -0.057 0.000 0.941 585 K CB 0.051 32.521 32.500 -0.051 0.000 0.719 585 K HN 0.012 nan 8.250 nan 0.000 0.440 586 V N 1.185 120.965 119.914 -0.224 0.000 2.427 586 V HA -0.200 3.920 4.120 0.000 0.000 0.248 586 V C 2.338 178.201 176.094 -0.386 0.000 1.051 586 V CA 1.884 63.941 62.300 -0.404 0.000 1.048 586 V CB -0.591 31.047 31.823 -0.308 0.000 0.666 586 V HN 0.428 nan 8.190 nan 0.000 0.456 587 A N 0.361 123.002 122.820 -0.299 0.000 1.933 587 A HA -0.246 4.074 4.320 0.000 0.000 0.218 587 A C 2.433 179.537 177.584 -0.800 0.000 1.175 587 A CA 1.892 53.665 52.037 -0.440 0.000 0.628 587 A CB -0.568 18.199 19.000 -0.388 0.000 0.814 587 A HN 0.416 nan 8.150 nan 0.000 0.444 588 R N 0.150 120.242 120.500 -0.680 0.000 2.081 588 R HA -0.091 4.249 4.340 0.000 0.000 0.235 588 R C 2.206 178.333 176.300 -0.287 0.000 1.131 588 R CA 1.716 57.531 56.100 -0.475 0.000 0.960 588 R CB -0.734 29.552 30.300 -0.022 0.000 0.856 588 R HN 0.405 nan 8.270 nan 0.000 0.436 589 A N 0.900 123.538 122.820 -0.303 0.000 1.902 589 A HA -0.081 4.239 4.320 0.000 0.000 0.217 589 A C 2.431 179.982 177.584 -0.054 0.000 1.181 589 A CA 1.870 53.752 52.037 -0.259 0.000 0.623 589 A CB -0.712 17.924 19.000 -0.606 0.000 0.818 589 A HN 0.528 nan 8.150 nan 0.000 0.443 590 A N -0.095 122.749 122.820 0.041 0.000 1.858 590 A HA 0.167 4.487 4.320 0.000 0.000 0.216 590 A C 2.538 180.187 177.584 0.108 0.000 1.190 590 A CA 2.139 54.365 52.037 0.315 0.000 0.617 590 A CB -1.154 18.073 19.000 0.377 0.000 0.827 590 A HN 1.126 nan 8.150 nan 0.000 0.443 591 A N -0.331 122.455 122.820 -0.056 0.000 1.940 591 A HA -0.227 4.093 4.320 0.000 0.000 0.219 591 A C 2.015 179.611 177.584 0.020 0.000 1.176 591 A CA 2.015 54.059 52.037 0.011 0.000 0.631 591 A CB -0.557 18.418 19.000 -0.042 0.000 0.814 591 A HN 0.716 nan 8.150 nan 0.000 0.446 592 E N 0.052 120.217 120.200 -0.059 0.000 2.106 592 E HA -0.135 4.215 4.350 0.000 0.000 0.192 592 E C 1.941 178.427 176.600 -0.189 0.000 0.984 592 E CA 1.660 58.008 56.400 -0.088 0.000 0.806 592 E CB -0.217 29.424 29.700 -0.100 0.000 0.750 592 E HN 0.550 nan 8.360 nan 0.000 0.458 593 V N -1.184 118.524 119.914 -0.343 0.000 2.453 593 V HA -0.025 4.095 4.120 0.000 0.000 0.247 593 V C 2.320 177.823 176.094 -0.986 0.000 1.048 593 V CA 1.470 63.331 62.300 -0.733 0.000 1.049 593 V CB -0.829 30.410 31.823 -0.973 0.000 0.672 593 V HN 0.311 nan 8.190 nan 0.000 0.457 594 A N 1.472 123.991 122.820 -0.502 0.000 1.898 594 A HA 0.080 4.400 4.320 0.000 0.000 0.216 594 A C 2.423 180.017 177.584 0.017 0.000 1.181 594 A CA 1.939 53.885 52.037 -0.153 0.000 0.620 594 A CB -1.580 17.545 19.000 0.208 0.000 0.819 594 A HN 0.711 nan 8.150 nan 0.000 0.442 595 G N -0.859 108.014 108.800 0.121 0.000 2.476 595 G HA2 -0.287 3.673 3.960 0.000 0.000 0.218 595 G HA3 -0.287 3.673 3.960 0.000 0.000 0.218 595 G C 1.635 176.735 174.900 0.333 0.000 1.164 595 G CA 1.100 46.432 45.100 0.386 0.000 0.768 595 G HN 0.620 nan 8.290 nan 0.000 0.560 596 Q N -0.875 118.994 119.800 0.115 0.000 2.119 596 Q HA -0.048 4.292 4.340 0.000 0.000 0.201 596 Q C 2.429 178.600 176.000 0.284 0.000 0.972 596 Q CA 0.821 56.763 55.803 0.231 0.000 0.847 596 Q CB -0.196 28.639 28.738 0.163 0.000 0.903 596 Q HN 0.468 nan 8.270 nan 0.000 0.433 597 F N 0.061 120.068 119.950 0.095 0.000 2.095 597 F HA -0.220 4.307 4.527 0.000 0.000 0.298 597 F C 2.355 178.204 175.800 0.081 0.000 1.104 597 F CA 0.679 58.708 58.000 0.048 0.000 1.232 597 F CB -1.216 37.795 39.000 0.017 0.000 0.987 597 F HN -0.116 nan 8.300 nan 0.000 0.475 598 V N 0.495 120.578 119.914 0.282 0.000 2.255 598 V HA -0.310 3.810 4.120 0.000 0.000 0.247 598 V C 2.550 178.811 176.094 0.278 0.000 1.051 598 V CA 1.434 63.815 62.300 0.136 0.000 1.018 598 V CB -0.679 31.028 31.823 -0.194 0.000 0.641 598 V HN 0.163 nan 8.190 nan 0.000 0.445 599 I N -0.264 120.542 120.570 0.393 0.000 2.076 599 I HA -0.222 3.948 4.170 0.000 0.000 0.237 599 I C 2.573 178.949 176.117 0.432 0.000 1.059 599 I CA 1.734 63.305 61.300 0.451 0.000 1.317 599 I CB -1.427 36.859 38.000 0.477 0.000 1.037 599 I HN 0.302 nan 8.210 nan 0.000 0.398 600 K N 0.754 121.334 120.400 0.300 0.000 2.107 600 K HA -0.173 4.147 4.320 0.000 0.000 0.211 600 K C 2.161 178.873 176.600 0.186 0.000 1.049 600 K CA 1.428 57.793 56.287 0.130 0.000 0.927 600 K CB -0.631 31.845 32.500 -0.039 0.000 0.714 600 K HN 0.393 nan 8.250 nan 0.000 0.452 601 L N 0.301 121.671 121.223 0.246 0.000 2.313 601 L HA -0.082 4.258 4.340 0.000 0.000 0.214 601 L C 2.087 179.190 176.870 0.389 0.000 1.119 601 L CA 1.381 56.410 54.840 0.315 0.000 0.809 601 L CB -0.290 41.971 42.059 0.336 0.000 0.933 601 L HN 0.269 nan 8.230 nan 0.000 0.449 602 T N -6.602 108.188 114.554 0.392 0.000 2.959 602 T HA -0.025 4.325 4.350 0.000 0.000 0.254 602 T C 1.625 176.567 174.700 0.402 0.000 1.003 602 T CA -0.088 62.251 62.100 0.397 0.000 0.950 602 T CB -0.267 68.847 68.868 0.410 0.000 1.090 602 T HN 0.311 nan 8.240 nan 0.000 0.503 603 H N 3.009 122.294 119.070 0.358 0.000 2.252 603 H HA -0.101 4.455 4.556 0.000 0.000 0.292 603 H C 0.490 175.958 175.328 0.232 0.000 1.082 603 H CA 1.921 58.193 56.048 0.373 0.000 1.229 603 H CB 0.040 30.019 29.762 0.362 0.000 1.353 603 H HN 0.627 nan 8.280 nan 0.000 0.488 604 D N -0.887 119.380 120.400 -0.222 0.000 2.614 604 D HA 0.030 4.670 4.640 0.000 0.000 0.264 604 D C 1.663 177.887 176.300 -0.127 0.000 1.092 604 D CA 0.210 54.035 54.000 -0.293 0.000 1.071 604 D CB 1.218 41.652 40.800 -0.611 0.000 1.443 604 D HN 0.219 nan 8.370 nan 0.000 0.528 605 V N -1.834 118.022 119.914 -0.097 0.000 2.418 605 V HA -0.211 3.909 4.120 0.000 0.000 0.258 605 V C 0.699 176.781 176.094 -0.020 0.000 1.088 605 V CA 1.435 63.714 62.300 -0.036 0.000 1.091 605 V CB -1.210 30.605 31.823 -0.014 0.000 0.669 605 V HN 0.500 nan 8.190 nan 0.000 0.461 606 E N 0.422 120.585 120.200 -0.061 0.000 2.216 606 E HA 0.600 4.950 4.350 0.000 0.000 0.279 606 E C -0.777 175.765 176.600 -0.097 0.000 0.997 606 E CA -0.725 55.635 56.400 -0.067 0.000 0.817 606 E CB 1.877 31.491 29.700 -0.143 0.000 1.096 606 E HN 0.431 nan 8.360 nan 0.000 0.393 607 L N 3.129 124.292 121.223 -0.100 0.000 2.319 607 L HA 0.170 4.510 4.340 0.000 0.000 0.280 607 L C 0.762 177.578 176.870 -0.090 0.000 1.099 607 L CA -0.477 54.298 54.840 -0.109 0.000 0.828 607 L CB 0.252 42.217 42.059 -0.158 0.000 1.150 607 L HN 0.368 nan 8.230 nan 0.000 0.442 608 N N 4.875 123.543 118.700 -0.053 0.000 2.683 608 N HA 0.120 4.860 4.740 0.000 0.000 0.256 608 N C -0.519 174.952 175.510 -0.066 0.000 1.270 608 N CA 0.301 53.299 53.050 -0.087 0.000 0.954 608 N CB -0.072 38.362 38.487 -0.089 0.000 1.289 608 N HN 0.481 nan 8.380 nan 0.000 0.508 609 L N 0.669 121.868 121.223 -0.040 0.000 2.255 609 L HA 0.202 4.542 4.340 0.000 0.000 0.289 609 L C 0.352 177.195 176.870 -0.044 0.000 1.046 609 L CA -0.675 54.166 54.840 0.002 0.000 0.816 609 L CB 0.908 43.017 42.059 0.085 0.000 1.197 609 L HN -0.142 nan 8.230 nan 0.000 0.427 610 D N 2.828 123.157 120.400 -0.119 0.000 2.494 610 D HA 0.043 4.683 4.640 0.000 0.000 0.217 610 D C 0.875 177.036 176.300 -0.231 0.000 1.153 610 D CA -0.377 53.455 54.000 -0.282 0.000 0.954 610 D CB 0.514 41.179 40.800 -0.224 0.000 1.034 610 D HN 0.396 nan 8.370 nan 0.000 0.518 611 Y N 1.676 121.990 120.300 0.023 0.000 2.574 611 Y HA -0.032 4.518 4.550 0.000 0.000 0.294 611 Y C 1.775 177.753 175.900 0.130 0.000 1.142 611 Y CA 0.688 58.868 58.100 0.133 0.000 1.314 611 Y CB -0.499 38.014 38.460 0.089 0.000 0.991 611 Y HN 0.306 nan 8.280 nan 0.000 0.555 612 E N 1.538 121.542 120.200 -0.328 0.000 2.204 612 E HA -0.159 4.191 4.350 0.000 0.000 0.194 612 E C 1.778 178.337 176.600 -0.069 0.000 0.989 612 E CA 0.867 57.151 56.400 -0.194 0.000 0.824 612 E CB -0.204 29.301 29.700 -0.326 0.000 0.756 612 E HN 0.262 nan 8.360 nan 0.000 0.477 613 R N -0.367 120.082 120.500 -0.085 0.000 2.249 613 R HA -0.151 4.189 4.340 0.000 0.000 0.230 613 R C 1.405 177.634 176.300 -0.118 0.000 1.121 613 R CA 1.128 57.161 56.100 -0.111 0.000 0.997 613 R CB -0.658 29.507 30.300 -0.224 0.000 0.867 613 R HN 0.431 nan 8.270 nan 0.000 0.465 614 Y N 0.714 121.051 120.300 0.061 0.000 2.561 614 Y HA -0.014 4.536 4.550 0.000 0.000 0.291 614 Y C 1.943 177.904 175.900 0.102 0.000 1.141 614 Y CA 0.405 58.539 58.100 0.056 0.000 1.303 614 Y CB 0.059 38.648 38.460 0.216 0.000 1.015 614 Y HN 0.069 nan 8.280 nan 0.000 0.547 615 N N -0.783 118.070 118.700 0.255 0.000 2.216 615 N HA -0.133 4.607 4.740 0.000 0.000 0.183 615 N C 1.802 177.444 175.510 0.219 0.000 1.017 615 N CA 1.377 54.569 53.050 0.236 0.000 0.861 615 N CB -0.186 38.273 38.487 -0.047 0.000 0.986 615 N HN 0.192 nan 8.380 nan 0.000 0.428 616 S N 1.038 116.820 115.700 0.136 0.000 2.406 616 S HA -0.018 4.452 4.470 0.000 0.000 0.228 616 S C 1.835 176.516 174.600 0.135 0.000 1.020 616 S CA 0.706 58.981 58.200 0.124 0.000 0.965 616 S CB 0.040 63.282 63.200 0.071 0.000 0.798 616 S HN 0.323 nan 8.310 nan 0.000 0.488 617 Q N 0.475 120.339 119.800 0.108 0.000 2.083 617 Q HA 0.058 4.398 4.340 0.000 0.000 0.198 617 Q C 2.110 178.299 176.000 0.315 0.000 0.969 617 Q CA 0.779 56.674 55.803 0.154 0.000 0.838 617 Q CB -0.507 28.188 28.738 -0.072 0.000 0.900 617 Q HN 0.362 nan 8.270 nan 0.000 0.436 618 L N 0.550 121.957 121.223 0.307 0.000 2.017 618 L HA -0.161 4.179 4.340 0.000 0.000 0.208 618 L C 2.329 179.392 176.870 0.322 0.000 1.073 618 L CA 1.251 56.299 54.840 0.347 0.000 0.745 618 L CB -1.308 40.921 42.059 0.283 0.000 0.894 618 L HN 0.204 nan 8.230 nan 0.000 0.432 619 L N -1.106 120.270 121.223 0.254 0.000 2.042 619 L HA -0.221 4.119 4.340 0.000 0.000 0.210 619 L C 2.751 179.718 176.870 0.161 0.000 1.076 619 L CA 2.075 57.026 54.840 0.186 0.000 0.749 619 L CB -0.887 41.270 42.059 0.162 0.000 0.893 619 L HN 0.364 nan 8.230 nan 0.000 0.432 620 S N -1.425 114.386 115.700 0.186 0.000 2.399 620 S HA -0.244 4.226 4.470 0.000 0.000 0.231 620 S C 2.038 176.762 174.600 0.206 0.000 1.022 620 S CA 1.311 59.611 58.200 0.168 0.000 0.983 620 S CB -0.697 62.607 63.200 0.173 0.000 0.803 620 S HN 0.547 nan 8.310 nan 0.000 0.480 621 F N 2.048 122.063 119.950 0.108 0.000 2.186 621 F HA 0.057 4.584 4.527 0.000 0.000 0.299 621 F C 2.019 177.882 175.800 0.106 0.000 1.090 621 F CA 1.098 59.145 58.000 0.078 0.000 1.307 621 F CB -0.679 38.336 39.000 0.025 0.000 1.019 621 F HN 0.074 nan 8.300 nan 0.000 0.489 622 V N 0.990 120.919 119.914 0.025 0.000 2.515 622 V HA -0.252 3.868 4.120 0.000 0.000 0.250 622 V C 2.644 178.715 176.094 -0.039 0.000 1.058 622 V CA 2.135 64.420 62.300 -0.026 0.000 1.064 622 V CB -0.765 31.097 31.823 0.065 0.000 0.675 622 V HN 0.313 nan 8.190 nan 0.000 0.461 623 R N 0.146 120.642 120.500 -0.008 0.000 2.066 623 R HA -0.148 4.192 4.340 0.000 0.000 0.232 623 R C 1.951 178.237 176.300 -0.023 0.000 1.131 623 R CA 1.715 57.807 56.100 -0.012 0.000 0.955 623 R CB -0.293 30.015 30.300 0.012 0.000 0.851 623 R HN 0.466 nan 8.270 nan 0.000 0.432 624 D N 0.495 120.890 120.400 -0.009 0.000 2.311 624 D HA -0.148 4.492 4.640 0.000 0.000 0.212 624 D C 1.360 177.662 176.300 0.002 0.000 0.972 624 D CA 0.734 54.743 54.000 0.014 0.000 0.887 624 D CB 0.151 41.001 40.800 0.084 0.000 0.915 624 D HN 0.192 nan 8.370 nan 0.000 0.497 625 L N 0.928 122.105 121.223 -0.077 0.000 2.554 625 L HA 0.042 4.382 4.340 0.000 0.000 0.225 625 L C 1.186 178.076 176.870 0.034 0.000 1.104 625 L CA 0.481 55.313 54.840 -0.013 0.000 0.866 625 L CB -0.182 41.744 42.059 -0.220 0.000 1.047 625 L HN -0.040 nan 8.230 nan 0.000 0.468 626 N N -0.604 118.090 118.700 -0.010 0.000 2.396 626 N HA -0.241 4.499 4.740 0.000 0.000 0.180 626 N C 1.529 176.986 175.510 -0.088 0.000 1.028 626 N CA 1.038 54.087 53.050 -0.003 0.000 0.893 626 N CB -0.704 37.783 38.487 -0.000 0.000 0.967 626 N HN 0.615 nan 8.380 nan 0.000 0.440 627 Q N -0.417 119.249 119.800 -0.223 0.000 2.437 627 Q HA -0.125 4.215 4.340 0.000 0.000 0.210 627 Q C 0.230 175.939 176.000 -0.485 0.000 0.972 627 Q CA 0.934 56.502 55.803 -0.390 0.000 0.903 627 Q CB -0.327 28.073 28.738 -0.562 0.000 0.967 627 Q HN 0.612 nan 8.270 nan 0.000 0.486 628 Y N -0.510 119.752 120.300 -0.062 0.000 2.636 628 Y HA 0.378 4.928 4.550 0.000 0.000 0.260 628 Y C 1.521 177.375 175.900 -0.076 0.000 1.177 628 Y CA -0.757 57.287 58.100 -0.093 0.000 1.209 628 Y CB 0.575 38.967 38.460 -0.114 0.000 1.166 628 Y HN 0.002 nan 8.280 nan 0.000 0.531 629 R N 0.406 120.933 120.500 0.045 0.000 2.120 629 R HA -0.134 4.206 4.340 0.000 0.000 0.234 629 R C 2.367 178.677 176.300 0.016 0.000 1.123 629 R CA 1.160 57.284 56.100 0.039 0.000 0.975 629 R CB -0.174 30.149 30.300 0.039 0.000 0.866 629 R HN 0.393 nan 8.270 nan 0.000 0.446 630 A N 1.574 124.391 122.820 -0.005 0.000 1.858 630 A HA -0.208 4.112 4.320 0.000 0.000 0.216 630 A C 1.677 179.243 177.584 -0.030 0.000 1.190 630 A CA 1.727 53.753 52.037 -0.020 0.000 0.617 630 A CB -0.468 18.511 19.000 -0.035 0.000 0.827 630 A HN 0.227 nan 8.150 nan 0.000 0.443 631 D N 0.072 120.444 120.400 -0.046 0.000 2.092 631 D HA -0.157 4.483 4.640 0.000 0.000 0.193 631 D C 1.972 178.218 176.300 -0.089 0.000 0.994 631 D CA 1.513 55.445 54.000 -0.114 0.000 0.828 631 D CB -0.289 40.393 40.800 -0.197 0.000 0.963 631 D HN 0.318 nan 8.370 nan 0.000 0.450 632 I N 1.361 121.907 120.570 -0.039 0.000 2.194 632 I HA -0.231 3.939 4.170 0.000 0.000 0.246 632 I C 2.404 178.545 176.117 0.041 0.000 1.093 632 I CA 1.110 62.429 61.300 0.032 0.000 1.355 632 I CB -0.915 37.133 38.000 0.079 0.000 1.046 632 I HN -0.045 nan 8.210 nan 0.000 0.413 633 K N 1.301 121.713 120.400 0.020 0.000 2.057 633 K HA -0.166 4.154 4.320 0.000 0.000 0.207 633 K C 1.968 178.578 176.600 0.017 0.000 1.049 633 K CA 1.347 57.646 56.287 0.021 0.000 0.931 633 K CB -0.215 32.291 32.500 0.011 0.000 0.714 633 K HN 0.414 nan 8.250 nan 0.000 0.440 634 E N -0.153 120.045 120.200 -0.003 0.000 2.085 634 E HA -0.153 4.197 4.350 0.000 0.000 0.194 634 E C 1.744 178.353 176.600 0.015 0.000 0.994 634 E CA 1.334 57.731 56.400 -0.006 0.000 0.801 634 E CB -0.133 29.547 29.700 -0.034 0.000 0.743 634 E HN 0.287 nan 8.360 nan 0.000 0.453 635 M N -0.330 119.286 119.600 0.027 0.000 2.691 635 M HA 0.075 4.555 4.480 0.000 0.000 0.227 635 M C 1.002 177.347 176.300 0.076 0.000 1.120 635 M CA 0.611 55.952 55.300 0.068 0.000 1.034 635 M CB 0.355 33.027 32.600 0.120 0.000 1.675 635 M HN 0.222 nan 8.290 nan 0.000 0.514 636 G N 1.323 110.158 108.800 0.058 0.000 2.179 636 G HA2 -0.253 3.707 3.960 0.000 0.000 0.257 636 G HA3 -0.253 3.707 3.960 0.000 0.000 0.257 636 G C -0.088 174.858 174.900 0.078 0.000 1.010 636 G CA 0.053 45.188 45.100 0.059 0.000 0.736 636 G HN 0.446 nan 8.290 nan 0.000 0.513 637 L N -0.304 120.977 121.223 0.097 0.000 2.358 637 L HA 0.799 5.139 4.340 0.000 0.000 0.268 637 L C 0.663 177.599 176.870 0.111 0.000 1.032 637 L CA -0.694 54.219 54.840 0.122 0.000 0.805 637 L CB 2.004 44.166 42.059 0.173 0.000 1.253 637 L HN 0.194 nan 8.230 nan 0.000 0.452 638 S N 0.067 115.852 115.700 0.141 0.000 2.568 638 S HA 0.501 4.971 4.470 0.000 0.000 0.302 638 S C -0.022 174.595 174.600 0.028 0.000 1.082 638 S CA -0.485 57.767 58.200 0.086 0.000 1.009 638 S CB 1.465 64.738 63.200 0.121 0.000 1.069 638 S HN 0.459 nan 8.310 nan 0.000 0.500 639 L N 3.196 124.307 121.223 -0.187 0.000 2.693 639 L HA 0.437 4.777 4.340 0.000 0.000 0.235 639 L C 1.920 178.329 176.870 -0.768 0.000 1.127 639 L CA 0.580 55.132 54.840 -0.480 0.000 0.914 639 L CB -0.280 41.345 42.059 -0.722 0.000 1.193 639 L HN 0.640 nan 8.230 nan 0.000 0.502 640 Q N -1.130 118.403 119.800 -0.445 0.000 2.124 640 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 640 Q C 1.749 177.589 176.000 -0.267 0.000 0.977 640 Q CA 2.011 57.598 55.803 -0.361 0.000 0.850 640 Q CB -0.238 28.242 28.738 -0.430 0.000 0.901 640 Q HN 0.537 nan 8.270 nan 0.000 0.429 641 W N -0.586 120.695 121.300 -0.031 0.000 2.418 641 W HA -0.025 4.635 4.660 0.000 0.000 0.292 641 W C 1.813 178.372 176.519 0.066 0.000 1.213 641 W CA 0.301 57.672 57.345 0.043 0.000 1.283 641 W CB -0.671 28.822 29.460 0.055 0.000 1.119 641 W HN 0.179 nan 8.180 nan 0.000 0.542 642 L N -0.640 120.714 121.223 0.219 0.000 2.093 642 L HA -0.150 4.190 4.340 0.000 0.000 0.208 642 L C 2.156 179.198 176.870 0.286 0.000 1.085 642 L CA 1.850 56.815 54.840 0.208 0.000 0.755 642 L CB -1.120 41.028 42.059 0.148 0.000 0.904 642 L HN 0.151 nan 8.230 nan 0.000 0.435 643 Y N -0.267 120.100 120.300 0.113 0.000 2.145 643 Y HA -0.281 4.269 4.550 0.000 0.000 0.286 643 Y C 2.864 178.813 175.900 0.083 0.000 1.145 643 Y CA 0.982 59.127 58.100 0.076 0.000 1.148 643 Y CB -0.446 38.026 38.460 0.020 0.000 0.981 643 Y HN 0.474 nan 8.280 nan 0.000 0.507 644 S N 0.136 115.975 115.700 0.232 0.000 2.474 644 S HA -0.099 4.371 4.470 0.000 0.000 0.235 644 S C 1.897 176.608 174.600 0.185 0.000 0.997 644 S CA 0.551 58.848 58.200 0.162 0.000 0.949 644 S CB -0.343 62.916 63.200 0.098 0.000 0.766 644 S HN 0.368 nan 8.310 nan 0.000 0.517 645 A N 3.390 126.337 122.820 0.212 0.000 1.854 645 A HA -0.016 4.304 4.320 0.000 0.000 0.214 645 A C 2.275 179.997 177.584 0.230 0.000 1.192 645 A CA 1.305 53.452 52.037 0.184 0.000 0.611 645 A CB -0.659 18.437 19.000 0.160 0.000 0.832 645 A HN 0.743 nan 8.150 nan 0.000 0.442 646 R N -0.017 120.639 120.500 0.261 0.000 2.189 646 R HA 0.072 4.412 4.340 0.000 0.000 0.223 646 R C 1.877 178.387 176.300 0.351 0.000 1.092 646 R CA 1.583 57.871 56.100 0.314 0.000 0.989 646 R CB -1.274 29.206 30.300 0.300 0.000 0.876 646 R HN 0.299 nan 8.270 nan 0.000 0.457 647 G N 0.982 109.938 108.800 0.261 0.000 2.414 647 G HA2 -0.229 3.731 3.960 0.000 0.000 0.215 647 G HA3 -0.229 3.731 3.960 0.000 0.000 0.215 647 G C 0.757 175.803 174.900 0.244 0.000 1.188 647 G CA 0.848 46.078 45.100 0.216 0.000 0.783 647 G HN 0.271 nan 8.290 nan 0.000 0.537 648 D N -0.319 120.206 120.400 0.208 0.000 2.218 648 D HA -0.061 4.579 4.640 0.000 0.000 0.204 648 D C 1.843 178.265 176.300 0.204 0.000 0.976 648 D CA 0.267 54.368 54.000 0.167 0.000 0.853 648 D CB -0.223 40.646 40.800 0.115 0.000 0.939 648 D HN 0.278 nan 8.370 nan 0.000 0.481 649 F N -0.091 119.942 119.950 0.138 0.000 2.128 649 F HA -0.065 4.462 4.527 -0.000 0.000 0.295 649 F C 2.027 177.928 175.800 0.168 0.000 1.100 649 F CA 0.869 58.945 58.000 0.127 0.000 1.260 649 F CB -0.433 38.668 39.000 0.168 0.000 1.009 649 F HN -0.110 nan 8.300 nan 0.000 0.476 650 F N 0.961 121.048 119.950 0.227 0.000 2.091 650 F HA -0.263 4.264 4.527 0.000 0.000 0.299 650 F C 2.624 178.441 175.800 0.029 0.000 1.103 650 F CA 1.841 59.920 58.000 0.133 0.000 1.228 650 F CB -0.324 38.765 39.000 0.149 0.000 0.984 650 F HN -0.189 nan 8.300 nan 0.000 0.477 651 R N -0.091 120.595 120.500 0.310 0.000 2.103 651 R HA -0.226 4.114 4.340 0.000 0.000 0.242 651 R C 2.401 178.733 176.300 0.054 0.000 1.142 651 R CA 1.348 57.552 56.100 0.173 0.000 0.960 651 R CB -0.871 29.494 30.300 0.107 0.000 0.858 651 R HN 0.399 nan 8.270 nan 0.000 0.439 652 A N 0.732 123.521 122.820 -0.051 0.000 1.877 652 A HA -0.207 4.113 4.320 0.000 0.000 0.216 652 A C 2.315 179.776 177.584 -0.205 0.000 1.186 652 A CA 2.215 54.147 52.037 -0.175 0.000 0.620 652 A CB -1.117 17.698 19.000 -0.307 0.000 0.822 652 A HN 0.556 nan 8.150 nan 0.000 0.443 653 T N -2.452 111.948 114.554 -0.256 0.000 2.720 653 T HA -0.160 4.190 4.350 0.000 0.000 0.268 653 T C 2.031 176.782 174.700 0.085 0.000 1.037 653 T CA 1.987 64.045 62.100 -0.070 0.000 1.144 653 T CB -0.763 68.043 68.868 -0.103 0.000 0.864 653 T HN 0.286 nan 8.240 nan 0.000 0.444 654 S N 1.092 116.829 115.700 0.061 0.000 2.359 654 S HA -0.072 4.398 4.470 0.000 0.000 0.224 654 S C 2.154 176.806 174.600 0.087 0.000 1.035 654 S CA 1.154 59.422 58.200 0.113 0.000 1.018 654 S CB -0.468 62.836 63.200 0.175 0.000 0.876 654 S HN 0.513 nan 8.310 nan 0.000 0.448 655 R N 0.584 121.110 120.500 0.042 0.000 2.105 655 R HA -0.110 4.230 4.340 0.000 0.000 0.239 655 R C 2.296 178.601 176.300 0.009 0.000 1.135 655 R CA 1.302 57.410 56.100 0.014 0.000 0.967 655 R CB -0.477 29.808 30.300 -0.025 0.000 0.861 655 R HN 0.362 nan 8.270 nan 0.000 0.442 656 L N 0.555 121.775 121.223 -0.005 0.000 2.056 656 L HA -0.076 4.264 4.340 0.000 0.000 0.207 656 L C 2.008 179.033 176.870 0.259 0.000 1.078 656 L CA 1.955 56.797 54.840 0.003 0.000 0.749 656 L CB -0.616 41.320 42.059 -0.204 0.000 0.901 656 L HN 0.073 nan 8.230 nan 0.000 0.433 657 T N -1.141 113.607 114.554 0.324 0.000 2.833 657 T HA -0.146 4.204 4.350 0.000 0.000 0.269 657 T C 1.712 176.553 174.700 0.234 0.000 1.054 657 T CA 1.742 64.044 62.100 0.336 0.000 1.135 657 T CB -0.345 68.633 68.868 0.184 0.000 0.869 657 T HN 0.429 nan 8.240 nan 0.000 0.466 658 T N 1.955 116.597 114.554 0.148 0.000 2.701 658 T HA -0.117 4.233 4.350 0.000 0.000 0.263 658 T C 1.737 176.487 174.700 0.084 0.000 1.040 658 T CA 1.221 63.380 62.100 0.098 0.000 1.147 658 T CB -0.481 68.425 68.868 0.063 0.000 0.865 658 T HN 0.324 nan 8.240 nan 0.000 0.426 659 D N 0.458 120.883 120.400 0.042 0.000 2.158 659 D HA -0.071 4.569 4.640 0.000 0.000 0.197 659 D C 1.799 178.069 176.300 -0.050 0.000 0.995 659 D CA 1.007 54.980 54.000 -0.045 0.000 0.846 659 D CB -0.429 40.283 40.800 -0.147 0.000 0.941 659 D HN 0.370 nan 8.370 nan 0.000 0.456 660 F N 1.134 121.084 119.950 0.001 0.000 2.075 660 F HA -0.068 4.459 4.527 0.000 0.000 0.297 660 F C 2.660 178.461 175.800 0.002 0.000 1.113 660 F CA 1.388 59.389 58.000 0.002 0.000 1.218 660 F CB -0.671 38.341 39.000 0.021 0.000 0.984 660 F HN 0.007 nan 8.300 nan 0.000 0.472 661 G N 0.106 109.036 108.800 0.215 0.000 2.529 661 G HA2 -0.308 3.652 3.960 0.000 0.000 0.219 661 G HA3 -0.308 3.652 3.960 0.000 0.000 0.219 661 G C 1.308 176.254 174.900 0.077 0.000 1.177 661 G CA 1.267 46.437 45.100 0.118 0.000 0.773 661 G HN 0.279 nan 8.290 nan 0.000 0.573 662 N N 1.403 120.137 118.700 0.057 0.000 2.515 662 N HA 0.225 4.965 4.740 0.000 0.000 0.191 662 N C 0.542 176.066 175.510 0.024 0.000 1.182 662 N CA 0.601 53.671 53.050 0.034 0.000 0.879 662 N CB 0.186 38.686 38.487 0.022 0.000 0.984 662 N HN 0.402 nan 8.380 nan 0.000 0.453 663 A N 0.732 123.570 122.820 0.030 0.000 2.312 663 A HA 0.453 4.773 4.320 0.000 0.000 0.328 663 A C -0.362 177.241 177.584 0.033 0.000 1.158 663 A CA -0.655 51.391 52.037 0.015 0.000 0.821 663 A CB 0.649 19.635 19.000 -0.023 0.000 1.170 663 A HN 0.055 nan 8.150 nan 0.000 0.490 664 E N 2.292 122.508 120.200 0.026 0.000 2.003 664 E HA 0.198 4.548 4.350 0.000 0.000 0.279 664 E C 0.124 176.744 176.600 0.033 0.000 1.132 664 E CA -0.450 55.968 56.400 0.030 0.000 0.888 664 E CB 0.349 30.066 29.700 0.028 0.000 1.056 664 E HN 0.409 nan 8.360 nan 0.000 0.399 665 K N 1.518 121.941 120.400 0.037 0.000 2.589 665 K HA -0.119 4.201 4.320 0.000 0.000 0.195 665 K C 1.139 177.755 176.600 0.027 0.000 1.042 665 K CA 1.172 57.480 56.287 0.035 0.000 0.940 665 K CB -0.687 31.825 32.500 0.021 0.000 0.776 665 K HN 0.629 nan 8.250 nan 0.000 0.487 666 T N -2.235 112.338 114.554 0.030 0.000 3.051 666 T HA -0.017 4.333 4.350 0.000 0.000 0.255 666 T C 0.729 175.454 174.700 0.042 0.000 1.085 666 T CA -0.185 61.936 62.100 0.034 0.000 1.109 666 T CB 0.077 68.966 68.868 0.035 0.000 0.921 666 T HN -0.065 nan 8.240 nan 0.000 0.488 667 D N 2.853 123.281 120.400 0.045 0.000 2.470 667 D HA 0.072 4.712 4.640 0.000 0.000 0.226 667 D C 1.562 177.908 176.300 0.077 0.000 1.196 667 D CA -0.486 53.552 54.000 0.065 0.000 0.979 667 D CB 0.437 41.277 40.800 0.067 0.000 1.059 667 D HN 0.537 nan 8.370 nan 0.000 0.515 668 R N 1.914 122.462 120.500 0.080 0.000 2.316 668 R HA -0.178 4.162 4.340 0.000 0.000 0.232 668 R C 1.314 177.673 176.300 0.098 0.000 1.137 668 R CA 0.898 57.041 56.100 0.073 0.000 1.012 668 R CB -0.434 29.908 30.300 0.070 0.000 0.859 668 R HN 0.320 nan 8.270 nan 0.000 0.474 669 F N 0.444 120.383 119.950 -0.019 0.000 2.188 669 F HA 0.025 4.552 4.527 0.000 0.000 0.289 669 F C 2.147 177.924 175.800 -0.038 0.000 1.082 669 F CA 0.906 58.890 58.000 -0.026 0.000 1.282 669 F CB -0.389 38.598 39.000 -0.021 0.000 1.060 669 F HN -0.132 nan 8.300 nan 0.000 0.493 670 V N 0.944 120.895 119.914 0.061 0.000 2.490 670 V HA -0.249 3.871 4.120 0.000 0.000 0.250 670 V C 2.091 178.091 176.094 -0.156 0.000 1.061 670 V CA 1.704 63.965 62.300 -0.064 0.000 1.064 670 V CB -0.314 31.512 31.823 0.006 0.000 0.670 670 V HN 0.338 nan 8.190 nan 0.000 0.461 671 M N -0.510 119.030 119.600 -0.100 0.000 2.319 671 M HA -0.042 4.438 4.480 0.000 0.000 0.265 671 M C 2.067 178.290 176.300 -0.128 0.000 1.068 671 M CA 1.580 56.821 55.300 -0.098 0.000 1.118 671 M CB -1.009 31.585 32.600 -0.010 0.000 1.395 671 M HN 0.318 nan 8.290 nan 0.000 0.435 672 K N 1.166 121.464 120.400 -0.171 0.000 2.001 672 K HA -0.139 4.181 4.320 0.000 0.000 0.208 672 K C 1.948 178.411 176.600 -0.228 0.000 1.048 672 K CA 1.606 57.780 56.287 -0.187 0.000 0.932 672 K CB -0.319 32.026 32.500 -0.259 0.000 0.715 672 K HN 0.178 nan 8.250 nan 0.000 0.437 673 K N 0.197 120.398 120.400 -0.332 0.000 2.044 673 K HA -0.161 4.159 4.320 0.000 0.000 0.210 673 K C 2.014 178.456 176.600 -0.263 0.000 1.049 673 K CA 1.839 57.944 56.287 -0.304 0.000 0.927 673 K CB -0.218 32.087 32.500 -0.324 0.000 0.713 673 K HN 0.179 nan 8.250 nan 0.000 0.443 674 L N 0.819 121.849 121.223 -0.321 0.000 2.056 674 L HA -0.165 4.175 4.340 0.000 0.000 0.207 674 L C 2.132 178.859 176.870 -0.238 0.000 1.078 674 L CA 0.909 55.481 54.840 -0.447 0.000 0.749 674 L CB -0.529 40.965 42.059 -0.942 0.000 0.901 674 L HN 0.262 nan 8.230 nan 0.000 0.433 675 N N -0.015 118.625 118.700 -0.101 0.000 2.381 675 N HA -0.159 4.581 4.740 0.000 0.000 0.182 675 N C 1.301 176.770 175.510 -0.067 0.000 1.025 675 N CA 1.061 54.121 53.050 0.017 0.000 0.888 675 N CB -0.212 38.280 38.487 0.008 0.000 0.965 675 N HN 0.333 nan 8.380 nan 0.000 0.438 676 D N 0.968 121.303 120.400 -0.108 0.000 2.117 676 D HA -0.067 4.573 4.640 0.000 0.000 0.198 676 D C 1.976 178.197 176.300 -0.132 0.000 0.982 676 D CA 0.712 54.638 54.000 -0.123 0.000 0.828 676 D CB -0.067 40.657 40.800 -0.126 0.000 0.967 676 D HN 0.249 nan 8.370 nan 0.000 0.464 677 R N 0.583 120.997 120.500 -0.143 0.000 2.105 677 R HA -0.078 4.262 4.340 0.000 0.000 0.239 677 R C 2.335 178.552 176.300 -0.138 0.000 1.135 677 R CA 0.621 56.631 56.100 -0.149 0.000 0.967 677 R CB -0.746 29.430 30.300 -0.206 0.000 0.861 677 R HN 0.183 nan 8.270 nan 0.000 0.442 678 V N 1.507 121.361 119.914 -0.100 0.000 2.358 678 V HA -0.211 3.909 4.120 0.000 0.000 0.246 678 V C 2.431 178.508 176.094 -0.028 0.000 1.047 678 V CA 1.652 63.926 62.300 -0.043 0.000 1.035 678 V CB -0.409 31.464 31.823 0.083 0.000 0.658 678 V HN 0.259 nan 8.190 nan 0.000 0.452 679 M N -0.742 118.812 119.600 -0.078 0.000 2.279 679 M HA -0.128 4.352 4.480 0.000 0.000 0.264 679 M C 2.236 178.472 176.300 -0.106 0.000 1.062 679 M CA 1.535 56.777 55.300 -0.096 0.000 1.099 679 M CB -0.342 32.136 32.600 -0.202 0.000 1.394 679 M HN 0.220 nan 8.290 nan 0.000 0.426 680 R N -0.525 119.901 120.500 -0.125 0.000 2.276 680 R HA 0.011 4.351 4.340 0.000 0.000 0.203 680 R C 1.995 178.235 176.300 -0.099 0.000 1.017 680 R CA 0.414 56.418 56.100 -0.159 0.000 1.010 680 R CB -0.202 30.027 30.300 -0.119 0.000 0.900 680 R HN 0.246 nan 8.270 nan 0.000 0.469 681 V N 1.073 120.963 119.914 -0.040 0.000 2.261 681 V HA -0.263 3.857 4.120 0.000 0.000 0.246 681 V C 2.199 178.189 176.094 -0.174 0.000 1.047 681 V CA 2.092 64.342 62.300 -0.083 0.000 1.015 681 V CB -0.385 31.449 31.823 0.018 0.000 0.642 681 V HN 0.236 nan 8.190 nan 0.000 0.446 682 E N -0.502 119.718 120.200 0.033 0.000 2.077 682 E HA -0.255 4.095 4.350 0.000 0.000 0.193 682 E C 2.033 178.728 176.600 0.159 0.000 0.989 682 E CA 1.568 58.082 56.400 0.190 0.000 0.800 682 E CB -0.492 29.360 29.700 0.254 0.000 0.746 682 E HN 0.698 nan 8.360 nan 0.000 0.452 683 Y N 0.213 120.464 120.300 -0.081 0.000 2.224 683 Y HA -0.215 4.335 4.550 0.000 0.000 0.289 683 Y C 1.827 177.623 175.900 -0.173 0.000 1.146 683 Y CA 2.024 60.046 58.100 -0.130 0.000 1.182 683 Y CB -0.287 38.030 38.460 -0.237 0.000 0.983 683 Y HN 0.219 nan 8.280 nan 0.000 0.524 684 H N -0.871 117.992 119.070 -0.344 0.000 2.563 684 H HA -0.022 4.534 4.556 0.000 0.000 0.272 684 H C 1.076 176.150 175.328 -0.424 0.000 1.005 684 H CA 0.895 56.646 56.048 -0.495 0.000 1.171 684 H CB -0.620 28.907 29.762 -0.392 0.000 1.351 684 H HN 0.491 nan 8.280 nan 0.000 0.602 685 F N 0.072 119.881 119.950 -0.235 0.000 2.727 685 F HA 0.155 4.682 4.527 0.000 0.000 0.302 685 F C 0.690 176.218 175.800 -0.453 0.000 1.097 685 F CA -0.315 57.460 58.000 -0.375 0.000 1.330 685 F CB 0.698 39.403 39.000 -0.492 0.000 1.084 685 F HN -0.086 nan 8.300 nan 0.000 0.578 686 L N 0.537 121.653 121.223 -0.179 0.000 2.331 686 L HA 0.156 4.496 4.340 0.000 0.000 0.278 686 L C 0.820 177.570 176.870 -0.201 0.000 1.106 686 L CA -0.375 54.372 54.840 -0.155 0.000 0.824 686 L CB 1.194 43.145 42.059 -0.180 0.000 1.142 686 L HN -0.107 nan 8.230 nan 0.000 0.443 687 S N 4.816 120.432 115.700 -0.139 0.000 2.525 687 S HA 0.146 4.616 4.470 0.000 0.000 0.285 687 S C -1.379 173.061 174.600 -0.267 0.000 1.283 687 S CA -1.000 57.114 58.200 -0.143 0.000 1.072 687 S CB 0.558 63.727 63.200 -0.052 0.000 0.867 687 S HN 0.466 nan 8.310 nan 0.000 0.492 688 P HA 0.152 nan 4.420 nan 0.000 0.261 688 P C -0.319 176.587 177.300 -0.656 0.000 1.352 688 P CA 0.232 62.992 63.100 -0.566 0.000 0.891 688 P CB -0.192 31.114 31.700 -0.657 0.000 1.383 689 Y N -0.314 119.948 120.300 -0.062 0.000 2.481 689 Y HA 0.171 4.721 4.550 0.000 0.000 0.247 689 Y C 1.379 177.239 175.900 -0.066 0.000 1.151 689 Y CA -0.623 57.447 58.100 -0.051 0.000 1.238 689 Y CB 0.784 39.224 38.460 -0.034 0.000 1.179 689 Y HN -0.195 nan 8.280 nan 0.000 0.524 690 V N -2.605 117.295 119.914 -0.023 0.000 3.046 690 V HA 0.604 4.724 4.120 0.000 0.000 0.316 690 V C 0.008 176.047 176.094 -0.092 0.000 1.104 690 V CA -1.187 61.073 62.300 -0.067 0.000 1.006 690 V CB 1.810 33.522 31.823 -0.185 0.000 1.058 690 V HN -0.042 nan 8.190 nan 0.000 0.440 691 S N 2.361 118.019 115.700 -0.069 0.000 2.481 691 S HA 0.443 4.913 4.470 0.000 0.000 0.276 691 S C -1.543 173.015 174.600 -0.071 0.000 1.247 691 S CA -0.796 57.370 58.200 -0.058 0.000 1.053 691 S CB 0.968 64.147 63.200 -0.035 0.000 0.925 691 S HN 0.769 nan 8.310 nan 0.000 0.491 692 P HA -0.031 nan 4.420 nan 0.000 0.222 692 P C 1.148 178.436 177.300 -0.020 0.000 1.147 692 P CA 0.762 63.856 63.100 -0.011 0.000 0.790 692 P CB 0.192 31.912 31.700 0.034 0.000 0.780 693 K N 0.193 120.578 120.400 -0.026 0.000 2.044 693 K HA -0.092 4.228 4.320 0.000 0.000 0.204 693 K C 1.744 178.301 176.600 -0.072 0.000 1.049 693 K CA 1.236 57.503 56.287 -0.032 0.000 0.945 693 K CB -0.019 32.489 32.500 0.013 0.000 0.724 693 K HN 0.065 nan 8.250 nan 0.000 0.440 694 E N -0.352 119.813 120.200 -0.058 0.000 2.230 694 E HA 0.012 4.362 4.350 0.000 0.000 0.192 694 E C -0.194 176.360 176.600 -0.078 0.000 0.987 694 E CA 0.418 56.783 56.400 -0.058 0.000 0.841 694 E CB 0.560 30.242 29.700 -0.030 0.000 0.783 694 E HN 0.006 nan 8.360 nan 0.000 0.481 695 S N 1.285 116.927 115.700 -0.098 0.000 2.204 695 S HA 0.129 4.599 4.470 0.000 0.000 0.147 695 S C -2.022 172.482 174.600 -0.159 0.000 1.711 695 S CA -0.885 57.255 58.200 -0.101 0.000 1.274 695 S CB 1.136 64.288 63.200 -0.080 0.000 1.257 695 S HN 0.097 nan 8.310 nan 0.000 0.404 696 P HA -0.135 nan 4.420 nan 0.000 0.216 696 P C 0.294 177.582 177.300 -0.021 0.000 1.153 696 P CA 1.089 64.026 63.100 -0.272 0.000 0.858 696 P CB -0.205 31.032 31.700 -0.770 0.000 0.789 697 F N 0.534 120.586 119.950 0.169 0.000 2.659 697 F HA 0.254 4.781 4.527 0.000 0.000 0.360 697 F C 1.886 177.841 175.800 0.258 0.000 1.218 697 F CA -0.750 57.375 58.000 0.210 0.000 1.317 697 F CB -0.322 38.857 39.000 0.299 0.000 1.697 697 F HN -0.234 nan 8.300 nan 0.000 0.637 698 R N -0.863 119.777 120.500 0.233 0.000 2.280 698 R HA -0.096 4.244 4.340 0.000 0.000 0.207 698 R C 0.378 176.790 176.300 0.187 0.000 1.043 698 R CA 0.151 56.261 56.100 0.016 0.000 1.006 698 R CB -0.356 29.879 30.300 -0.109 0.000 0.885 698 R HN 0.425 nan 8.270 nan 0.000 0.467 699 H N 0.992 120.178 119.070 0.195 0.000 3.091 699 H HA -0.020 4.536 4.556 0.000 0.000 0.289 699 H C 1.530 176.923 175.328 0.108 0.000 0.995 699 H CA -0.180 55.973 56.048 0.174 0.000 1.461 699 H CB 0.909 30.815 29.762 0.241 0.000 1.510 699 H HN -0.060 nan 8.280 nan 0.000 0.546 700 V N 2.662 122.454 119.914 -0.203 0.000 3.026 700 V HA -0.161 3.959 4.120 0.000 0.000 0.265 700 V C 1.270 177.040 176.094 -0.540 0.000 1.121 700 V CA 1.448 63.557 62.300 -0.317 0.000 1.142 700 V CB -0.930 30.614 31.823 -0.465 0.000 0.730 700 V HN 0.599 nan 8.190 nan 0.000 0.503 701 F N -0.736 118.932 119.950 -0.470 0.000 2.383 701 F HA 0.306 4.833 4.527 0.000 0.000 0.287 701 F C 1.695 176.919 175.800 -0.960 0.000 1.069 701 F CA 0.778 58.234 58.000 -0.907 0.000 1.402 701 F CB -0.012 38.157 39.000 -1.386 0.000 1.116 701 F HN 0.210 nan 8.300 nan 0.000 0.549 702 W N -0.209 121.418 121.300 0.546 0.000 2.870 702 W HA 0.440 5.100 4.660 0.000 0.000 0.358 702 W C 1.271 177.955 176.519 0.275 0.000 1.043 702 W CA -0.149 57.353 57.345 0.261 0.000 1.692 702 W CB -0.629 28.848 29.460 0.027 0.000 1.100 702 W HN -0.119 nan 8.180 nan 0.000 0.557 703 G N 0.831 109.865 108.800 0.390 0.000 2.504 703 G HA2 0.486 4.446 3.960 0.000 0.000 0.257 703 G HA3 0.486 4.446 3.960 0.000 0.000 0.257 703 G C -0.395 174.743 174.900 0.397 0.000 1.451 703 G CA -0.320 45.051 45.100 0.452 0.000 1.059 703 G HN -0.068 nan 8.290 nan 0.000 0.550 704 S N -1.662 114.303 115.700 0.442 0.000 2.548 704 S HA 0.782 5.252 4.470 0.000 0.000 0.276 704 S C -0.084 174.610 174.600 0.157 0.000 1.129 704 S CA 0.214 58.571 58.200 0.263 0.000 0.931 704 S CB 1.732 65.146 63.200 0.357 0.000 1.068 704 S HN 2.020 nan 8.310 nan 0.000 0.480 705 G N 1.054 109.819 108.800 -0.059 0.000 2.362 705 G HA2 0.082 4.042 3.960 0.000 0.000 0.656 705 G HA3 0.082 4.042 3.960 0.000 0.000 0.656 705 G C 0.458 175.133 174.900 -0.375 0.000 1.376 705 G CA -0.090 44.936 45.100 -0.122 0.000 0.971 705 G HN 1.189 nan 8.290 nan 0.000 0.636 706 S N -0.223 115.391 115.700 -0.143 0.000 2.465 706 S HA -0.191 4.279 4.470 0.000 0.000 0.241 706 S C 1.761 176.264 174.600 -0.162 0.000 1.000 706 S CA 2.066 60.197 58.200 -0.114 0.000 0.964 706 S CB -0.619 62.569 63.200 -0.020 0.000 0.763 706 S HN 1.342 nan 8.310 nan 0.000 0.512 707 H N -0.399 118.660 119.070 -0.019 0.000 2.529 707 H HA 0.189 4.745 4.556 0.000 0.000 0.277 707 H C 0.471 175.746 175.328 -0.088 0.000 0.999 707 H CA 0.670 56.696 56.048 -0.037 0.000 1.256 707 H CB -1.195 28.565 29.762 -0.004 0.000 1.402 707 H HN 0.227 nan 8.280 nan 0.000 0.566 708 T N 1.795 115.999 114.554 -0.584 0.000 2.900 708 T HA 0.038 4.388 4.350 0.000 0.000 0.307 708 T C 1.428 175.939 174.700 -0.314 0.000 1.065 708 T CA -0.435 61.430 62.100 -0.392 0.000 1.105 708 T CB 0.833 69.492 68.868 -0.348 0.000 0.979 708 T HN 0.030 nan 8.240 nan 0.000 0.544 709 L N 5.043 126.006 121.223 -0.433 0.000 2.044 709 L HA 0.109 4.449 4.340 0.000 0.000 0.205 709 L C -0.665 176.107 176.870 -0.163 0.000 1.075 709 L CA 1.552 56.089 54.840 -0.506 0.000 0.747 709 L CB -1.649 39.761 42.059 -1.083 0.000 0.903 709 L HN 0.512 nan 8.230 nan 0.000 0.435 710 P HA -0.146 nan 4.420 nan 0.000 0.215 710 P C 1.566 178.870 177.300 0.007 0.000 1.153 710 P CA 1.800 64.897 63.100 -0.006 0.000 0.853 710 P CB -0.044 31.647 31.700 -0.015 0.000 0.788 711 A N -0.549 122.241 122.820 -0.051 0.000 1.978 711 A HA -0.194 4.126 4.320 0.000 0.000 0.220 711 A C 2.188 179.777 177.584 0.008 0.000 1.170 711 A CA 1.444 53.457 52.037 -0.039 0.000 0.636 711 A CB -1.707 17.230 19.000 -0.105 0.000 0.810 711 A HN 0.221 nan 8.150 nan 0.000 0.448 712 L N -0.747 120.493 121.223 0.028 0.000 2.093 712 L HA -0.101 4.239 4.340 0.000 0.000 0.208 712 L C 2.286 179.240 176.870 0.141 0.000 1.085 712 L CA 1.309 56.221 54.840 0.121 0.000 0.755 712 L CB -0.181 41.965 42.059 0.145 0.000 0.904 712 L HN 0.409 nan 8.230 nan 0.000 0.435 713 L N -0.448 120.837 121.223 0.104 0.000 2.072 713 L HA -0.169 4.171 4.340 0.000 0.000 0.205 713 L C 2.570 179.400 176.870 -0.068 0.000 1.079 713 L CA 1.025 55.865 54.840 0.001 0.000 0.752 713 L CB -0.569 41.570 42.059 0.133 0.000 0.906 713 L HN 0.277 nan 8.230 nan 0.000 0.436 714 E N 0.812 121.020 120.200 0.014 0.000 2.118 714 E HA -0.259 4.091 4.350 0.000 0.000 0.195 714 E C 1.838 178.446 176.600 0.014 0.000 0.992 714 E CA 1.556 57.968 56.400 0.020 0.000 0.804 714 E CB -0.130 29.587 29.700 0.028 0.000 0.741 714 E HN 0.310 nan 8.360 nan 0.000 0.458 715 N N -0.629 118.094 118.700 0.038 0.000 2.080 715 N HA -0.118 4.622 4.740 0.000 0.000 0.189 715 N C 1.547 177.133 175.510 0.127 0.000 1.036 715 N CA 0.932 54.049 53.050 0.112 0.000 0.846 715 N CB -0.464 38.112 38.487 0.148 0.000 1.015 715 N HN 0.161 nan 8.380 nan 0.000 0.423 716 L N 1.748 122.915 121.223 -0.093 0.000 2.081 716 L HA -0.129 4.211 4.340 0.000 0.000 0.212 716 L C 2.205 178.732 176.870 -0.572 0.000 1.080 716 L CA 1.599 56.121 54.840 -0.530 0.000 0.754 716 L CB -0.944 40.520 42.059 -0.991 0.000 0.893 716 L HN 0.322 nan 8.230 nan 0.000 0.433 717 K N -0.751 119.435 120.400 -0.358 0.000 2.147 717 K HA -0.156 4.164 4.320 0.000 0.000 0.205 717 K C 2.040 178.639 176.600 -0.001 0.000 1.049 717 K CA 1.083 57.365 56.287 -0.009 0.000 0.936 717 K CB -0.079 32.480 32.500 0.098 0.000 0.722 717 K HN 0.347 nan 8.250 nan 0.000 0.446 718 L N 0.323 121.543 121.223 -0.006 0.000 2.201 718 L HA -0.086 4.254 4.340 0.000 0.000 0.212 718 L C 2.583 179.429 176.870 -0.040 0.000 1.105 718 L CA 0.825 55.686 54.840 0.035 0.000 0.775 718 L CB -0.341 41.795 42.059 0.129 0.000 0.913 718 L HN 0.196 nan 8.230 nan 0.000 0.440 719 R N 0.174 120.518 120.500 -0.260 0.000 2.303 719 R HA -0.143 4.197 4.340 0.000 0.000 0.225 719 R C 2.057 178.215 176.300 -0.237 0.000 1.114 719 R CA 0.692 56.494 56.100 -0.497 0.000 1.007 719 R CB 0.141 29.778 30.300 -1.105 0.000 0.861 719 R HN 0.194 nan 8.270 nan 0.000 0.471 720 K N 0.745 121.077 120.400 -0.114 0.000 1.963 720 K HA -0.120 4.200 4.320 0.000 0.000 0.216 720 K C 0.523 177.096 176.600 -0.045 0.000 1.045 720 K CA 1.338 57.592 56.287 -0.055 0.000 0.954 720 K CB -0.474 32.023 32.500 -0.005 0.000 0.732 720 K HN 0.303 nan 8.250 nan 0.000 0.442 721 Q N 2.880 122.667 119.800 -0.021 0.000 2.489 721 Q HA 0.042 4.382 4.340 0.000 0.000 0.231 721 Q C -0.555 175.440 176.000 -0.008 0.000 1.273 721 Q CA -0.253 55.544 55.803 -0.009 0.000 0.898 721 Q CB -0.257 28.485 28.738 0.005 0.000 1.545 721 Q HN 0.153 nan 8.270 nan 0.000 0.538 722 N N 3.695 122.383 118.700 -0.019 0.000 2.695 722 N HA -0.102 4.638 4.740 0.000 0.000 0.315 722 N C -0.899 174.619 175.510 0.013 0.000 1.166 722 N CA 0.793 53.836 53.050 -0.011 0.000 1.166 722 N CB -0.252 38.225 38.487 -0.016 0.000 1.407 722 N HN 0.433 nan 8.380 nan 0.000 0.529 723 N N -0.509 118.207 118.700 0.027 0.000 2.519 723 N HA 0.151 4.891 4.740 0.000 0.000 0.291 723 N C 1.215 176.755 175.510 0.050 0.000 1.107 723 N CA -0.126 52.944 53.050 0.033 0.000 0.904 723 N CB 1.847 40.348 38.487 0.024 0.000 1.500 723 N HN 0.236 nan 8.380 nan 0.000 0.510 724 G N 2.942 111.773 108.800 0.050 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 1.294 176.236 174.900 0.069 0.000 1.651 724 G CA 2.917 48.047 45.100 0.050 0.000 1.737 724 G HN 0.985 nan 8.290 nan 0.000 0.865 725 A N -0.106 122.749 122.820 0.058 0.000 1.670 725 A HA -0.239 4.081 4.320 0.000 0.000 0.312 725 A C 1.481 179.119 177.584 0.091 0.000 3.495 725 A CA 2.641 54.716 52.037 0.064 0.000 0.917 725 A CB -1.227 17.815 19.000 0.070 0.000 0.783 725 A HN 1.813 nan 8.150 nan 0.000 0.530 726 F N 1.586 121.520 119.950 -0.028 0.000 2.593 726 F HA 0.289 4.816 4.527 0.000 0.000 0.393 726 F C 0.428 176.217 175.800 -0.020 0.000 1.037 726 F CA -0.178 57.799 58.000 -0.039 0.000 1.195 726 F CB 0.021 38.981 39.000 -0.066 0.000 1.034 726 F HN 0.360 nan 8.300 nan 0.000 0.552 727 N N 5.745 124.052 118.700 -0.656 0.000 2.546 727 N HA 0.051 4.791 4.740 0.000 0.000 0.238 727 N C 0.795 175.788 175.510 -0.862 0.000 0.984 727 N CA -0.127 52.600 53.050 -0.539 0.000 0.935 727 N CB 0.613 38.941 38.487 -0.264 0.000 1.122 727 N HN 0.909 nan 8.380 nan 0.000 0.510 728 E N 1.857 121.584 120.200 -0.788 0.000 2.051 728 E HA -0.193 4.157 4.350 0.000 0.000 0.192 728 E C 1.028 177.549 176.600 -0.132 0.000 0.991 728 E CA 2.011 58.136 56.400 -0.459 0.000 0.799 728 E CB 0.181 29.858 29.700 -0.038 0.000 0.748 728 E HN 0.723 nan 8.360 nan 0.000 0.449 729 T N 0.143 114.627 114.554 -0.117 0.000 2.788 729 T HA -0.197 4.153 4.350 0.000 0.000 0.268 729 T C 1.938 176.581 174.700 -0.095 0.000 1.044 729 T CA 1.158 63.213 62.100 -0.075 0.000 1.139 729 T CB -0.418 68.408 68.868 -0.070 0.000 0.867 729 T HN 0.189 nan 8.240 nan 0.000 0.454 730 L N 0.412 121.559 121.223 -0.126 0.000 2.046 730 L HA 0.107 4.447 4.340 0.000 0.000 0.208 730 L C 2.162 178.975 176.870 -0.095 0.000 1.077 730 L CA 1.587 56.360 54.840 -0.111 0.000 0.747 730 L CB -1.162 40.825 42.059 -0.119 0.000 0.896 730 L HN 0.282 nan 8.230 nan 0.000 0.432 731 F N 0.713 120.532 119.950 -0.217 0.000 2.102 731 F HA -0.170 4.357 4.527 0.000 0.000 0.298 731 F C 2.519 178.282 175.800 -0.062 0.000 1.105 731 F CA 1.734 59.660 58.000 -0.124 0.000 1.239 731 F CB -0.341 38.607 39.000 -0.086 0.000 0.991 731 F HN 0.035 nan 8.300 nan 0.000 0.474 732 R N 0.208 120.627 120.500 -0.135 0.000 2.127 732 R HA -0.180 4.160 4.340 0.000 0.000 0.238 732 R C 1.944 178.067 176.300 -0.295 0.000 1.134 732 R CA 1.429 57.401 56.100 -0.214 0.000 0.975 732 R CB -0.702 29.579 30.300 -0.032 0.000 0.865 732 R HN 0.403 nan 8.270 nan 0.000 0.447 733 N N 0.845 119.400 118.700 -0.241 0.000 2.207 733 N HA -0.107 4.633 4.740 0.000 0.000 0.182 733 N C 1.779 177.134 175.510 -0.258 0.000 1.020 733 N CA 0.969 53.885 53.050 -0.223 0.000 0.858 733 N CB 0.005 38.393 38.487 -0.166 0.000 0.991 733 N HN 0.338 nan 8.380 nan 0.000 0.427 734 Q N 0.623 120.256 119.800 -0.279 0.000 2.077 734 Q HA -0.170 4.170 4.340 0.000 0.000 0.206 734 Q C 2.086 177.907 176.000 -0.298 0.000 0.989 734 Q CA 1.250 56.902 55.803 -0.252 0.000 0.853 734 Q CB -0.145 28.462 28.738 -0.218 0.000 0.907 734 Q HN 0.200 nan 8.270 nan 0.000 0.418 735 L N 0.355 121.278 121.223 -0.500 0.000 2.005 735 L HA -0.119 4.221 4.340 0.000 0.000 0.207 735 L C 2.202 178.948 176.870 -0.207 0.000 1.072 735 L CA 2.047 56.652 54.840 -0.391 0.000 0.744 735 L CB -0.792 40.908 42.059 -0.599 0.000 0.895 735 L HN 0.145 nan 8.230 nan 0.000 0.433 736 A N -0.581 122.101 122.820 -0.230 0.000 1.917 736 A HA -0.200 4.120 4.320 0.000 0.000 0.219 736 A C 2.238 179.749 177.584 -0.123 0.000 1.182 736 A CA 2.224 54.158 52.037 -0.172 0.000 0.633 736 A CB -0.897 17.970 19.000 -0.221 0.000 0.819 736 A HN 0.523 nan 8.150 nan 0.000 0.448 737 L N -1.337 119.782 121.223 -0.174 0.000 2.068 737 L HA -0.070 4.270 4.340 0.000 0.000 0.204 737 L C 3.114 179.989 176.870 0.007 0.000 1.076 737 L CA 0.880 55.631 54.840 -0.147 0.000 0.753 737 L CB -0.691 41.228 42.059 -0.233 0.000 0.910 737 L HN 0.412 nan 8.230 nan 0.000 0.439 738 A N -0.023 122.765 122.820 -0.053 0.000 1.908 738 A HA -0.214 4.106 4.320 0.000 0.000 0.218 738 A C 2.368 179.939 177.584 -0.022 0.000 1.181 738 A CA 2.454 54.439 52.037 -0.087 0.000 0.627 738 A CB -0.979 17.932 19.000 -0.148 0.000 0.818 738 A HN 0.373 nan 8.150 nan 0.000 0.445 739 T N -1.617 112.962 114.554 0.041 0.000 2.652 739 T HA -0.193 4.157 4.350 0.000 0.000 0.267 739 T C 1.617 176.398 174.700 0.136 0.000 1.039 739 T CA 1.266 63.432 62.100 0.109 0.000 1.153 739 T CB -0.319 68.635 68.868 0.143 0.000 0.863 739 T HN 0.693 nan 8.240 nan 0.000 0.428 740 W N 1.391 122.685 121.300 -0.011 0.000 2.467 740 W HA -0.098 4.562 4.660 -0.000 0.000 0.275 740 W C 1.970 178.530 176.519 0.068 0.000 1.239 740 W CA 0.863 58.222 57.345 0.023 0.000 1.266 740 W CB -0.281 29.176 29.460 -0.005 0.000 1.112 740 W HN 0.250 nan 8.180 nan 0.000 0.576 741 T N 1.303 115.925 114.554 0.114 0.000 2.833 741 T HA -0.172 4.178 4.350 0.000 0.000 0.269 741 T C 1.756 176.407 174.700 -0.081 0.000 1.054 741 T CA 1.550 63.674 62.100 0.039 0.000 1.135 741 T CB -0.181 68.725 68.868 0.064 0.000 0.869 741 T HN 0.095 nan 8.240 nan 0.000 0.466 742 I N 0.503 121.023 120.570 -0.083 0.000 2.277 742 I HA -0.111 4.059 4.170 0.000 0.000 0.243 742 I C 2.869 178.910 176.117 -0.127 0.000 1.094 742 I CA 0.891 62.161 61.300 -0.050 0.000 1.393 742 I CB -0.287 37.694 38.000 -0.031 0.000 1.078 742 I HN 0.110 nan 8.210 nan 0.000 0.417 743 Q N 0.680 120.305 119.800 -0.292 0.000 2.135 743 Q HA -0.163 4.177 4.340 0.000 0.000 0.204 743 Q C 2.260 177.922 176.000 -0.565 0.000 0.981 743 Q CA 1.859 57.397 55.803 -0.441 0.000 0.856 743 Q CB -0.538 27.739 28.738 -0.768 0.000 0.902 743 Q HN 0.626 nan 8.270 nan 0.000 0.425 744 G N 0.451 108.803 108.800 -0.746 0.000 2.402 744 G HA2 -0.167 3.793 3.960 0.000 0.000 0.216 744 G HA3 -0.167 3.793 3.960 0.000 0.000 0.216 744 G C 1.546 176.223 174.900 -0.371 0.000 1.162 744 G CA 1.050 45.815 45.100 -0.558 0.000 0.777 744 G HN 0.453 nan 8.290 nan 0.000 0.539 745 A N 1.054 123.709 122.820 -0.274 0.000 1.978 745 A HA 0.246 4.566 4.320 0.000 0.000 0.220 745 A C 2.755 180.312 177.584 -0.045 0.000 1.170 745 A CA 2.275 54.177 52.037 -0.226 0.000 0.636 745 A CB -0.621 18.248 19.000 -0.219 0.000 0.810 745 A HN 0.726 nan 8.150 nan 0.000 0.448 746 A N 0.228 123.090 122.820 0.070 0.000 1.872 746 A HA -0.148 4.172 4.320 0.000 0.000 0.214 746 A C 1.848 179.366 177.584 -0.110 0.000 1.187 746 A CA 1.398 53.483 52.037 0.080 0.000 0.614 746 A CB -0.761 18.341 19.000 0.171 0.000 0.826 746 A HN 0.700 nan 8.150 nan 0.000 0.442 747 N N 0.027 118.631 118.700 -0.160 0.000 2.364 747 N HA -0.056 4.684 4.740 0.000 0.000 0.183 747 N C 1.734 177.125 175.510 -0.199 0.000 1.022 747 N CA 0.737 53.688 53.050 -0.165 0.000 0.883 747 N CB -0.116 38.272 38.487 -0.166 0.000 0.965 747 N HN 0.536 nan 8.380 nan 0.000 0.438 748 A N 0.907 123.572 122.820 -0.257 0.000 1.911 748 A HA 0.028 4.348 4.320 0.000 0.000 0.212 748 A C 2.028 179.476 177.584 -0.227 0.000 1.189 748 A CA 0.309 52.178 52.037 -0.281 0.000 0.639 748 A CB -0.408 18.291 19.000 -0.503 0.000 0.839 748 A HN 0.150 nan 8.150 nan 0.000 0.449 749 L N 1.203 122.287 121.223 -0.232 0.000 2.131 749 L HA -0.134 4.206 4.340 0.000 0.000 0.210 749 L C 2.591 179.308 176.870 -0.255 0.000 1.092 749 L CA 2.593 57.277 54.840 -0.260 0.000 0.759 749 L CB -0.560 41.283 42.059 -0.359 0.000 0.903 749 L HN 0.492 nan 8.230 nan 0.000 0.435 750 S N -0.812 114.759 115.700 -0.216 0.000 2.481 750 S HA 0.248 4.718 4.470 0.000 0.000 0.231 750 S C 1.114 175.610 174.600 -0.174 0.000 0.996 750 S CA 0.266 58.361 58.200 -0.175 0.000 0.942 750 S CB -1.126 61.995 63.200 -0.131 0.000 0.768 750 S HN 0.924 nan 8.310 nan 0.000 0.520 751 G N 0.749 109.429 108.800 -0.200 0.000 2.722 751 G HA2 0.093 4.053 3.960 0.000 0.000 0.686 751 G HA3 0.093 4.053 3.960 0.000 0.000 0.686 751 G C -0.917 173.810 174.900 -0.288 0.000 1.282 751 G CA -0.533 44.435 45.100 -0.220 0.000 0.817 751 G HN 0.587 nan 8.290 nan 0.000 0.605 752 D N -0.539 119.625 120.400 -0.394 0.000 4.323 752 D HA -0.076 4.564 4.640 0.000 0.000 0.228 752 D C 1.880 177.708 176.300 -0.786 0.000 1.011 752 D CA 1.700 55.250 54.000 -0.750 0.000 1.233 752 D CB -0.624 39.645 40.800 -0.884 0.000 0.738 752 D HN 1.730 nan 8.370 nan 0.000 0.375 753 V N 1.627 121.130 119.914 -0.685 0.000 2.252 753 V HA -0.360 3.760 4.120 0.000 0.000 0.255 753 V C 2.178 178.128 176.094 -0.241 0.000 1.071 753 V CA 2.511 64.592 62.300 -0.365 0.000 1.050 753 V CB -1.256 30.448 31.823 -0.199 0.000 0.654 753 V HN 0.802 nan 8.190 nan 0.000 0.448 754 W N 1.418 122.722 121.300 0.005 0.000 2.468 754 W HA 0.068 4.728 4.660 -0.000 0.000 0.262 754 W C 0.975 177.498 176.519 0.006 0.000 1.241 754 W CA 0.704 58.054 57.345 0.008 0.000 1.232 754 W CB -1.103 28.360 29.460 0.006 0.000 1.124 754 W HN 0.233 nan 8.180 nan 0.000 0.597 755 D N 1.183 121.553 120.400 -0.050 0.000 2.894 755 D HA 0.222 4.862 4.640 0.000 0.000 0.248 755 D C 0.491 176.779 176.300 -0.020 0.000 1.291 755 D CA 0.084 54.104 54.000 0.034 0.000 0.840 755 D CB -0.237 40.563 40.800 -0.001 0.000 1.044 755 D HN 0.217 nan 8.370 nan 0.000 0.484 756 I N 0.000 120.568 120.570 -0.004 0.000 2.984 756 I HA 0.000 4.170 4.170 0.000 0.000 0.288 756 I CA 0.000 61.297 61.300 -0.006 0.000 1.566 756 I CB 0.000 37.993 38.000 -0.012 0.000 1.214 756 I HN 0.000 nan 8.210 nan 0.000 0.494