REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1cx8_1_C DATA FIRST_RESID 122 DATA SEQUENCE LYWDDLKRKL SEKLDSTDFT STIKLLNENS YVPREAGSQK DENLALYVEN DATA SEQUENCE EFREFKLSKV WRDQHFVKIQ VKDSAQNSVI IVDKNGRLVY LVENPGGYVA DATA SEQUENCE YSKAATVTGK LVHANFGTKK DFEDLYTPVN GSIVIVRAGK ITFAEKVANA DATA SEQUENCE ESLNAIGVLI YMDQTKFPIV NAELSFFGHA HLGTGDPYTP GFPSFNHTQF DATA SEQUENCE PPSRSSGLPN IPVQTISRAA AEKLFGNMEG DcPSDWKTDS TcRMVTSESK DATA SEQUENCE NVKLTVSNVL KEIKILNIFG VIKGFVEPDH YVVVGAQRDA WGPGAAKSGV DATA SEQUENCE GTALLLKLAQ MFSDMVLKDG FQPSRSIIFA SWSAGDFGSV GATEWLEGYL DATA SEQUENCE SSLHLKAFTY INLDKAVLGT SNFKVSASPL LYTLIEKTMQ NVKHPVTGQF DATA SEQUENCE LYQDSNWASK VEKLTLDNAA FPFLAYSGIP AVSFCFCEDT DYPYLGTTMD DATA SEQUENCE TYKELIERIP ELNKVARAAA EVAGQFVIKL THDVELNLDY EEYNSQLLSF DATA SEQUENCE VRDLNQYRAD IKEMGLSLQW LYSARGDFFR ATSRLTTDFG NAEKTDRFVM DATA SEQUENCE KKLNDRVMRV EYHFLSPYVS PKESPFRHVF WGSGSHTLPA LLENLKLRKQ DATA SEQUENCE NNGAFNETLF RNQLALATWT IQGAANALSG DVWDIDNEF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 122 L HA 0.000 nan 4.340 nan 0.000 0.249 122 L C 0.000 176.705 176.870 -0.276 0.000 1.165 122 L CA 0.000 54.743 54.840 -0.162 0.000 0.813 122 L CB 0.000 42.015 42.059 -0.073 0.000 0.961 123 Y N -0.511 119.766 120.300 -0.039 0.000 2.519 123 Y HA 0.189 4.739 4.550 -0.000 0.000 0.324 123 Y C 1.048 176.851 175.900 -0.162 0.000 1.214 123 Y CA 0.052 58.124 58.100 -0.047 0.000 1.260 123 Y CB 1.106 39.582 38.460 0.027 0.000 1.311 123 Y HN 0.733 nan 8.280 nan 0.000 0.505 124 W N 1.954 123.141 121.300 -0.189 0.000 2.290 124 W HA -0.341 4.319 4.660 -0.000 0.000 0.328 124 W C 1.159 177.612 176.519 -0.110 0.000 1.272 124 W CA 2.588 59.786 57.345 -0.246 0.000 1.262 124 W CB -0.297 29.114 29.460 -0.083 0.000 1.151 124 W HN 0.914 nan 8.180 nan 0.000 0.473 125 D N 0.506 120.759 120.400 -0.244 0.000 2.133 125 D HA -0.297 4.343 4.640 -0.000 0.000 0.192 125 D C 1.578 177.658 176.300 -0.366 0.000 1.001 125 D CA 2.246 56.035 54.000 -0.352 0.000 0.844 125 D CB -1.229 39.506 40.800 -0.108 0.000 0.944 125 D HN 0.146 nan 8.370 nan 0.000 0.447 126 D N 0.205 120.473 120.400 -0.220 0.000 2.087 126 D HA -0.122 4.518 4.640 -0.000 0.000 0.192 126 D C 2.260 178.369 176.300 -0.318 0.000 0.993 126 D CA 0.752 54.633 54.000 -0.199 0.000 0.828 126 D CB -0.211 40.530 40.800 -0.097 0.000 0.968 126 D HN 0.157 nan 8.370 nan 0.000 0.448 127 L N 1.128 122.108 121.223 -0.406 0.000 2.046 127 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 127 L C 2.375 178.870 176.870 -0.625 0.000 1.077 127 L CA 1.300 55.834 54.840 -0.510 0.000 0.747 127 L CB -1.052 40.699 42.059 -0.513 0.000 0.896 127 L HN 0.093 nan 8.230 nan 0.000 0.432 128 K N 0.101 119.937 120.400 -0.940 0.000 2.002 128 K HA -0.199 4.121 4.320 -0.000 0.000 0.209 128 K C 2.303 178.605 176.600 -0.497 0.000 1.048 128 K CA 1.322 57.045 56.287 -0.940 0.000 0.930 128 K CB 0.038 31.769 32.500 -1.281 0.000 0.714 128 K HN 0.111 nan 8.250 nan 0.000 0.438 129 R N 0.581 120.835 120.500 -0.410 0.000 2.083 129 R HA -0.177 4.163 4.340 -0.000 0.000 0.237 129 R C 2.369 178.529 176.300 -0.232 0.000 1.137 129 R CA 1.850 57.793 56.100 -0.261 0.000 0.951 129 R CB -0.164 30.012 30.300 -0.206 0.000 0.851 129 R HN -0.007 nan 8.270 nan 0.000 0.434 130 K N 0.900 121.149 120.400 -0.253 0.000 1.978 130 K HA -0.173 4.147 4.320 -0.000 0.000 0.214 130 K C 1.874 178.333 176.600 -0.235 0.000 1.049 130 K CA 1.438 57.593 56.287 -0.220 0.000 0.939 130 K CB -0.787 31.576 32.500 -0.228 0.000 0.721 130 K HN 0.081 nan 8.250 nan 0.000 0.441 131 L N 0.680 121.725 121.223 -0.297 0.000 2.197 131 L HA -0.208 4.132 4.340 -0.000 0.000 0.215 131 L C 2.176 178.922 176.870 -0.206 0.000 1.095 131 L CA 2.173 56.840 54.840 -0.288 0.000 0.764 131 L CB -1.015 40.861 42.059 -0.305 0.000 0.897 131 L HN 0.356 nan 8.230 nan 0.000 0.436 132 S N -0.497 115.086 115.700 -0.195 0.000 2.335 132 S HA -0.201 4.269 4.470 -0.000 0.000 0.217 132 S C 1.911 176.428 174.600 -0.139 0.000 1.032 132 S CA 1.017 59.126 58.200 -0.153 0.000 0.985 132 S CB -0.389 62.721 63.200 -0.150 0.000 0.896 132 S HN 0.786 nan 8.310 nan 0.000 0.445 133 E N 0.744 120.861 120.200 -0.139 0.000 2.118 133 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 133 E C 1.839 178.365 176.600 -0.123 0.000 0.992 133 E CA 1.115 57.443 56.400 -0.121 0.000 0.804 133 E CB -0.270 29.364 29.700 -0.109 0.000 0.741 133 E HN 0.332 nan 8.360 nan 0.000 0.458 134 K N 0.489 120.809 120.400 -0.134 0.000 2.097 134 K HA -0.068 4.252 4.320 -0.000 0.000 0.206 134 K C 2.126 178.649 176.600 -0.128 0.000 1.049 134 K CA 0.648 56.858 56.287 -0.128 0.000 0.933 134 K CB -0.266 32.142 32.500 -0.154 0.000 0.717 134 K HN 0.242 nan 8.250 nan 0.000 0.442 135 L N 1.739 122.885 121.223 -0.128 0.000 2.291 135 L HA -0.105 4.235 4.340 -0.000 0.000 0.214 135 L C 1.339 178.091 176.870 -0.196 0.000 1.120 135 L CA 1.539 56.301 54.840 -0.129 0.000 0.799 135 L CB -0.919 41.097 42.059 -0.071 0.000 0.925 135 L HN 0.107 nan 8.230 nan 0.000 0.446 136 D N -0.789 119.516 120.400 -0.159 0.000 2.312 136 D HA -0.042 4.598 4.640 -0.000 0.000 0.211 136 D C 0.847 177.051 176.300 -0.159 0.000 0.964 136 D CA 0.596 54.504 54.000 -0.153 0.000 0.877 136 D CB 0.377 41.105 40.800 -0.120 0.000 0.924 136 D HN 0.086 nan 8.370 nan 0.000 0.515 137 S N -0.173 115.432 115.700 -0.159 0.000 2.422 137 S HA 0.221 4.691 4.470 -0.000 0.000 0.226 137 S C -0.252 174.255 174.600 -0.155 0.000 1.242 137 S CA -0.602 57.515 58.200 -0.138 0.000 1.231 137 S CB 0.716 63.859 63.200 -0.096 0.000 1.067 137 S HN 0.156 nan 8.310 nan 0.000 0.462 138 T N -1.369 113.030 114.554 -0.258 0.000 3.011 138 T HA 0.358 4.708 4.350 -0.000 0.000 0.303 138 T C -1.406 173.045 174.700 -0.415 0.000 0.997 138 T CA -0.752 61.179 62.100 -0.282 0.000 1.007 138 T CB 1.632 70.327 68.868 -0.289 0.000 1.017 138 T HN 0.017 nan 8.240 nan 0.000 0.443 139 D N 2.779 123.077 120.400 -0.169 0.000 2.422 139 D HA 0.244 4.883 4.640 -0.000 0.000 0.227 139 D C 0.264 176.611 176.300 0.077 0.000 1.190 139 D CA -0.573 53.371 54.000 -0.093 0.000 0.905 139 D CB 0.050 40.840 40.800 -0.016 0.000 1.034 139 D HN 0.621 nan 8.370 nan 0.000 0.507 140 F N 0.967 120.931 119.950 0.024 0.000 2.234 140 F HA -0.136 4.391 4.527 -0.000 0.000 0.296 140 F C 2.652 178.488 175.800 0.059 0.000 1.089 140 F CA 0.265 58.287 58.000 0.037 0.000 1.343 140 F CB 0.182 39.202 39.000 0.033 0.000 1.040 140 F HN 0.300 nan 8.300 nan 0.000 0.498 141 T N -0.705 114.002 114.554 0.256 0.000 2.759 141 T HA -0.180 4.170 4.350 -0.000 0.000 0.269 141 T C 2.135 176.911 174.700 0.127 0.000 1.042 141 T CA 1.881 64.127 62.100 0.244 0.000 1.140 141 T CB -0.279 68.725 68.868 0.227 0.000 0.864 141 T HN 0.146 nan 8.240 nan 0.000 0.455 142 S N 0.497 116.243 115.700 0.077 0.000 2.348 142 S HA -0.097 4.373 4.470 -0.000 0.000 0.221 142 S C 2.266 176.857 174.600 -0.015 0.000 1.033 142 S CA 1.854 60.055 58.200 0.001 0.000 1.010 142 S CB -0.742 62.475 63.200 0.029 0.000 0.891 142 S HN 0.629 nan 8.310 nan 0.000 0.442 143 T N 2.499 117.093 114.554 0.066 0.000 2.867 143 T HA 0.083 4.433 4.350 -0.000 0.000 0.268 143 T C 1.672 176.392 174.700 0.034 0.000 1.057 143 T CA 0.854 62.998 62.100 0.074 0.000 1.136 143 T CB -0.360 68.583 68.868 0.126 0.000 0.874 143 T HN 0.330 nan 8.240 nan 0.000 0.466 144 I N 0.755 121.355 120.570 0.051 0.000 2.493 144 I HA -0.104 4.066 4.170 -0.000 0.000 0.254 144 I C 2.581 178.666 176.117 -0.052 0.000 1.160 144 I CA 1.073 62.418 61.300 0.076 0.000 1.445 144 I CB -0.277 37.860 38.000 0.229 0.000 1.086 144 I HN 0.178 nan 8.210 nan 0.000 0.433 145 K N 1.675 121.875 120.400 -0.334 0.000 2.044 145 K HA -0.117 4.203 4.320 -0.000 0.000 0.204 145 K C 2.304 178.769 176.600 -0.226 0.000 1.045 145 K CA 0.868 56.776 56.287 -0.632 0.000 0.951 145 K CB -0.104 31.868 32.500 -0.881 0.000 0.738 145 K HN 0.223 nan 8.250 nan 0.000 0.443 146 L N 1.679 122.827 121.223 -0.126 0.000 2.051 146 L HA -0.154 4.186 4.340 -0.000 0.000 0.214 146 L C 1.368 178.272 176.870 0.058 0.000 1.076 146 L CA 1.295 56.119 54.840 -0.028 0.000 0.758 146 L CB -0.127 41.931 42.059 -0.003 0.000 0.890 146 L HN 0.227 nan 8.230 nan 0.000 0.433 147 L N 0.715 121.944 121.223 0.009 0.000 2.873 147 L HA 0.021 4.361 4.340 -0.000 0.000 0.252 147 L C 0.945 177.865 176.870 0.082 0.000 1.266 147 L CA 0.084 54.922 54.840 -0.002 0.000 1.111 147 L CB -0.721 41.309 42.059 -0.048 0.000 1.440 147 L HN 0.391 nan 8.230 nan 0.000 0.427 148 N N -0.756 118.007 118.700 0.105 0.000 1.941 148 N HA 0.044 4.784 4.740 -0.000 0.000 0.229 148 N C 0.133 175.678 175.510 0.059 0.000 1.397 148 N CA -0.025 53.077 53.050 0.087 0.000 0.824 148 N CB 1.129 39.654 38.487 0.063 0.000 1.083 148 N HN 0.382 nan 8.380 nan 0.000 0.488 149 E N 0.965 121.190 120.200 0.041 0.000 2.437 149 E HA -0.012 4.338 4.350 -0.000 0.000 0.263 149 E C 0.434 176.977 176.600 -0.095 0.000 1.030 149 E CA 0.076 56.445 56.400 -0.052 0.000 0.934 149 E CB 0.553 30.183 29.700 -0.116 0.000 0.943 149 E HN 0.090 nan 8.360 nan 0.000 0.444 150 N N 0.658 119.289 118.700 -0.114 0.000 2.503 150 N HA -0.141 4.599 4.740 -0.000 0.000 0.189 150 N C 1.112 176.497 175.510 -0.209 0.000 1.048 150 N CA 0.773 53.751 53.050 -0.122 0.000 0.905 150 N CB 0.064 38.490 38.487 -0.102 0.000 0.951 150 N HN 0.242 nan 8.380 nan 0.000 0.446 151 S N -0.478 114.986 115.700 -0.394 0.000 2.400 151 S HA -0.140 4.330 4.470 -0.000 0.000 0.232 151 S C -0.163 174.052 174.600 -0.641 0.000 1.025 151 S CA 1.155 58.953 58.200 -0.671 0.000 0.993 151 S CB -0.229 62.272 63.200 -1.165 0.000 0.808 151 S HN 0.561 nan 8.310 nan 0.000 0.478 152 Y N -1.340 118.916 120.300 -0.074 0.000 2.640 152 Y HA 0.605 5.155 4.550 -0.000 0.000 0.295 152 Y C 0.264 176.140 175.900 -0.041 0.000 1.023 152 Y CA -1.019 57.049 58.100 -0.054 0.000 1.163 152 Y CB -0.609 37.820 38.460 -0.052 0.000 1.145 152 Y HN -0.065 nan 8.280 nan 0.000 0.609 153 V N 1.088 121.046 119.914 0.074 0.000 2.502 153 V HA 0.374 4.494 4.120 -0.000 0.000 0.234 153 V C -1.936 174.164 176.094 0.010 0.000 1.072 153 V CA -0.312 62.016 62.300 0.046 0.000 1.094 153 V CB 0.302 32.130 31.823 0.007 0.000 0.761 153 V HN 0.244 nan 8.190 nan 0.000 0.489 154 P HA 0.220 nan 4.420 nan 0.000 0.225 154 P C -0.719 176.557 177.300 -0.040 0.000 1.813 154 P CA -0.189 62.863 63.100 -0.080 0.000 1.013 154 P CB -0.792 30.828 31.700 -0.134 0.000 1.961 155 R N 0.213 120.720 120.500 0.012 0.000 4.559 155 R HA 0.140 4.479 4.340 -0.000 0.000 0.177 155 R C 0.248 176.576 176.300 0.047 0.000 1.875 155 R CA -0.252 55.873 56.100 0.042 0.000 1.509 155 R CB -0.392 29.949 30.300 0.068 0.000 1.395 155 R HN 0.305 nan 8.270 nan 0.000 0.830 156 E N 1.438 121.653 120.200 0.025 0.000 2.428 156 E HA 0.105 4.455 4.350 -0.000 0.000 0.257 156 E C -0.316 176.349 176.600 0.108 0.000 1.197 156 E CA -0.023 56.419 56.400 0.070 0.000 0.974 156 E CB 0.618 30.346 29.700 0.047 0.000 0.976 156 E HN 0.614 nan 8.360 nan 0.000 0.463 157 A N 1.300 124.233 122.820 0.188 0.000 2.524 157 A HA 0.362 4.682 4.320 -0.000 0.000 0.250 157 A C 0.998 178.609 177.584 0.044 0.000 1.078 157 A CA 0.634 52.760 52.037 0.148 0.000 0.761 157 A CB -0.453 18.679 19.000 0.221 0.000 1.012 157 A HN 0.902 nan 8.150 nan 0.000 0.500 158 G N 2.008 110.822 108.800 0.024 0.000 2.225 158 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.267 158 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.267 158 G C 0.536 175.438 174.900 0.003 0.000 1.024 158 G CA 1.040 46.136 45.100 -0.007 0.000 0.784 158 G HN 2.081 nan 8.290 nan 0.000 0.507 159 S N -1.878 113.833 115.700 0.018 0.000 2.694 159 S HA 0.644 5.114 4.470 -0.000 0.000 0.278 159 S C 1.231 175.839 174.600 0.013 0.000 1.152 159 S CA 0.523 58.731 58.200 0.013 0.000 1.010 159 S CB 1.678 64.886 63.200 0.013 0.000 1.104 159 S HN 0.394 nan 8.310 nan 0.000 0.547 160 Q N 0.850 120.655 119.800 0.008 0.000 2.049 160 Q HA -0.014 4.326 4.340 -0.000 0.000 0.198 160 Q C 1.731 177.747 176.000 0.027 0.000 0.971 160 Q CA 1.705 57.514 55.803 0.010 0.000 0.833 160 Q CB -0.375 28.362 28.738 -0.002 0.000 0.896 160 Q HN 0.654 nan 8.270 nan 0.000 0.434 161 K N 1.214 121.631 120.400 0.029 0.000 2.044 161 K HA -0.190 4.130 4.320 -0.000 0.000 0.210 161 K C 1.824 178.485 176.600 0.101 0.000 1.049 161 K CA 1.544 57.873 56.287 0.070 0.000 0.927 161 K CB -0.963 31.572 32.500 0.057 0.000 0.713 161 K HN 0.443 nan 8.250 nan 0.000 0.443 162 D N 1.402 121.839 120.400 0.062 0.000 2.137 162 D HA -0.242 4.397 4.640 -0.000 0.000 0.189 162 D C 1.810 178.134 176.300 0.040 0.000 0.998 162 D CA 1.563 55.593 54.000 0.049 0.000 0.839 162 D CB -0.079 40.745 40.800 0.041 0.000 0.962 162 D HN 0.345 nan 8.370 nan 0.000 0.446 163 E N -0.399 119.821 120.200 0.033 0.000 2.219 163 E HA -0.199 4.151 4.350 -0.000 0.000 0.198 163 E C 1.950 178.578 176.600 0.047 0.000 0.998 163 E CA 0.818 57.233 56.400 0.025 0.000 0.818 163 E CB 0.086 29.797 29.700 0.018 0.000 0.741 163 E HN 0.299 nan 8.360 nan 0.000 0.477 164 N N 0.545 119.299 118.700 0.090 0.000 2.062 164 N HA -0.167 4.573 4.740 -0.000 0.000 0.191 164 N C 1.884 177.514 175.510 0.199 0.000 1.042 164 N CA 0.790 53.935 53.050 0.160 0.000 0.845 164 N CB -0.546 38.071 38.487 0.216 0.000 1.024 164 N HN 0.167 nan 8.380 nan 0.000 0.424 165 L N 1.604 122.922 121.223 0.159 0.000 2.079 165 L HA -0.054 4.286 4.340 -0.000 0.000 0.210 165 L C 2.129 178.956 176.870 -0.071 0.000 1.081 165 L CA 1.427 56.201 54.840 -0.111 0.000 0.752 165 L CB -1.063 40.836 42.059 -0.266 0.000 0.896 165 L HN 0.143 nan 8.230 nan 0.000 0.433 166 A N -0.314 122.475 122.820 -0.052 0.000 1.865 166 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 166 A C 2.235 179.756 177.584 -0.105 0.000 1.191 166 A CA 2.194 54.173 52.037 -0.096 0.000 0.623 166 A CB -0.961 18.006 19.000 -0.055 0.000 0.826 166 A HN 0.510 nan 8.150 nan 0.000 0.444 167 L N -2.029 119.176 121.223 -0.029 0.000 2.201 167 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 167 L C 2.588 179.446 176.870 -0.020 0.000 1.105 167 L CA 1.390 56.218 54.840 -0.021 0.000 0.775 167 L CB -0.698 41.375 42.059 0.025 0.000 0.913 167 L HN 0.598 nan 8.230 nan 0.000 0.440 168 Y N 0.989 121.206 120.300 -0.137 0.000 2.133 168 Y HA -0.186 4.364 4.550 -0.000 0.000 0.287 168 Y C 2.386 178.109 175.900 -0.296 0.000 1.134 168 Y CA 1.384 59.382 58.100 -0.171 0.000 1.133 168 Y CB -0.553 37.796 38.460 -0.185 0.000 0.987 168 Y HN -0.161 nan 8.280 nan 0.000 0.502 169 V N 0.965 120.546 119.914 -0.555 0.000 2.261 169 V HA -0.317 3.803 4.120 -0.000 0.000 0.246 169 V C 2.411 177.966 176.094 -0.898 0.000 1.047 169 V CA 2.267 64.037 62.300 -0.884 0.000 1.015 169 V CB -0.881 30.477 31.823 -0.775 0.000 0.642 169 V HN 0.473 nan 8.190 nan 0.000 0.446 170 E N 0.338 120.223 120.200 -0.525 0.000 2.065 170 E HA -0.325 4.025 4.350 -0.000 0.000 0.201 170 E C 2.243 178.708 176.600 -0.224 0.000 1.016 170 E CA 1.895 58.117 56.400 -0.298 0.000 0.818 170 E CB -0.231 29.388 29.700 -0.134 0.000 0.749 170 E HN 0.605 nan 8.360 nan 0.000 0.453 171 N N -0.028 118.532 118.700 -0.234 0.000 2.106 171 N HA -0.156 4.583 4.740 -0.000 0.000 0.188 171 N C 1.726 177.044 175.510 -0.320 0.000 1.029 171 N CA 0.950 53.889 53.050 -0.184 0.000 0.848 171 N CB -0.015 38.407 38.487 -0.108 0.000 1.007 171 N HN 0.186 nan 8.380 nan 0.000 0.423 172 E N 0.524 120.385 120.200 -0.565 0.000 2.097 172 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 172 E C 1.999 178.063 176.600 -0.894 0.000 1.000 172 E CA 0.821 56.682 56.400 -0.898 0.000 0.804 172 E CB -0.600 28.460 29.700 -1.066 0.000 0.740 172 E HN 0.509 nan 8.360 nan 0.000 0.454 173 F N 0.789 120.488 119.950 -0.419 0.000 2.095 173 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 173 F C 2.761 178.523 175.800 -0.063 0.000 1.104 173 F CA 0.735 58.703 58.000 -0.054 0.000 1.232 173 F CB -0.105 38.876 39.000 -0.032 0.000 0.987 173 F HN -0.001 nan 8.300 nan 0.000 0.475 174 R N 0.219 120.768 120.500 0.082 0.000 2.073 174 R HA -0.209 4.131 4.340 -0.000 0.000 0.234 174 R C 2.032 178.328 176.300 -0.007 0.000 1.134 174 R CA 1.679 57.810 56.100 0.051 0.000 0.952 174 R CB -0.557 29.755 30.300 0.020 0.000 0.850 174 R HN 0.350 nan 8.270 nan 0.000 0.433 175 E N 0.172 120.282 120.200 -0.150 0.000 2.110 175 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 175 E C 1.196 177.754 176.600 -0.070 0.000 0.988 175 E CA 0.934 57.234 56.400 -0.166 0.000 0.804 175 E CB 0.025 29.542 29.700 -0.305 0.000 0.745 175 E HN 0.187 nan 8.360 nan 0.000 0.458 176 F N 0.867 120.842 119.950 0.041 0.000 2.583 176 F HA 0.006 4.532 4.527 -0.000 0.000 0.297 176 F C 1.402 177.226 175.800 0.041 0.000 1.131 176 F CA 1.027 59.048 58.000 0.036 0.000 1.467 176 F CB -0.419 38.599 39.000 0.031 0.000 1.097 176 F HN -0.008 nan 8.300 nan 0.000 0.586 177 K N -0.040 120.474 120.400 0.191 0.000 3.209 177 K HA -0.232 4.088 4.320 -0.000 0.000 0.289 177 K C -0.296 176.390 176.600 0.144 0.000 1.191 177 K CA 0.408 56.778 56.287 0.138 0.000 0.851 177 K CB -1.590 30.981 32.500 0.119 0.000 1.242 177 K HN 0.293 nan 8.250 nan 0.000 0.480 178 L N -1.994 119.331 121.223 0.169 0.000 2.466 178 L HA 0.427 4.767 4.340 -0.000 0.000 0.257 178 L C 1.172 178.124 176.870 0.135 0.000 1.189 178 L CA -0.026 54.899 54.840 0.142 0.000 0.813 178 L CB 0.651 42.777 42.059 0.111 0.000 1.118 178 L HN 0.054 nan 8.230 nan 0.000 0.471 179 S N -0.195 115.585 115.700 0.134 0.000 2.700 179 S HA 0.120 4.590 4.470 -0.000 0.000 0.250 179 S C 0.371 175.079 174.600 0.180 0.000 1.355 179 S CA -0.143 58.136 58.200 0.132 0.000 0.970 179 S CB 0.042 63.312 63.200 0.117 0.000 0.975 179 S HN 0.672 nan 8.310 nan 0.000 0.563 180 K N 0.036 120.552 120.400 0.194 0.000 2.604 180 K HA 0.115 4.435 4.320 -0.000 0.000 0.278 180 K C -0.532 176.335 176.600 0.446 0.000 0.975 180 K CA 0.688 57.138 56.287 0.272 0.000 1.066 180 K CB -0.217 32.406 32.500 0.204 0.000 0.840 180 K HN 0.420 nan 8.250 nan 0.000 0.491 181 V N 4.345 124.555 119.914 0.495 0.000 2.752 181 V HA 0.787 4.906 4.120 -0.000 0.000 0.302 181 V C -1.925 174.487 176.094 0.529 0.000 1.133 181 V CA -0.503 62.066 62.300 0.448 0.000 0.919 181 V CB 0.613 32.594 31.823 0.263 0.000 1.026 181 V HN 0.876 nan 8.190 nan 0.000 0.429 182 W N 5.003 126.413 121.300 0.184 0.000 3.335 182 W HA 0.887 5.546 4.660 -0.000 0.000 0.335 182 W C -0.849 175.790 176.519 0.201 0.000 1.164 182 W CA -1.271 56.166 57.345 0.154 0.000 1.010 182 W CB 1.025 30.549 29.460 0.106 0.000 1.524 182 W HN 0.560 nan 8.180 nan 0.000 0.605 183 R N 0.444 121.112 120.500 0.280 0.000 2.832 183 R HA 0.443 4.783 4.340 -0.000 0.000 0.271 183 R C -1.766 174.704 176.300 0.284 0.000 0.996 183 R CA -0.883 55.316 56.100 0.166 0.000 0.977 183 R CB 1.789 32.169 30.300 0.133 0.000 1.168 183 R HN 0.476 nan 8.270 nan 0.000 0.482 184 D N 0.853 121.398 120.400 0.241 0.000 2.473 184 D HA 0.088 4.728 4.640 -0.000 0.000 0.253 184 D C -1.230 175.131 176.300 0.102 0.000 1.233 184 D CA -0.408 53.760 54.000 0.281 0.000 0.908 184 D CB 1.276 42.411 40.800 0.558 0.000 1.170 184 D HN 0.307 nan 8.370 nan 0.000 0.558 185 Q N 2.448 122.224 119.800 -0.040 0.000 2.260 185 Q HA 0.407 4.747 4.340 -0.000 0.000 0.242 185 Q C -0.949 174.833 176.000 -0.362 0.000 0.932 185 Q CA -0.398 55.340 55.803 -0.109 0.000 0.891 185 Q CB 0.752 29.484 28.738 -0.010 0.000 1.222 185 Q HN 0.544 nan 8.270 nan 0.000 0.453 186 H N 1.912 120.973 119.070 -0.014 0.000 3.112 186 H HA 0.255 4.811 4.556 -0.000 0.000 0.347 186 H C -1.637 173.603 175.328 -0.147 0.000 1.188 186 H CA -0.476 55.596 56.048 0.040 0.000 1.240 186 H CB 0.757 30.572 29.762 0.088 0.000 1.920 186 H HN 0.588 nan 8.280 nan 0.000 0.535 187 F N 2.390 122.483 119.950 0.237 0.000 2.359 187 F HA 0.321 4.848 4.527 -0.000 0.000 0.369 187 F C 0.422 176.325 175.800 0.172 0.000 1.084 187 F CA -0.767 57.340 58.000 0.178 0.000 1.096 187 F CB 1.252 40.353 39.000 0.168 0.000 1.335 187 F HN 0.206 nan 8.300 nan 0.000 0.457 188 V N 0.038 120.090 119.914 0.229 0.000 2.769 188 V HA 0.598 4.718 4.120 -0.000 0.000 0.312 188 V C -0.410 175.799 176.094 0.191 0.000 1.058 188 V CA -1.195 61.226 62.300 0.202 0.000 0.952 188 V CB 1.953 33.847 31.823 0.119 0.000 1.019 188 V HN 0.509 nan 8.190 nan 0.000 0.445 189 K N 3.258 123.816 120.400 0.263 0.000 2.285 189 K HA 0.513 4.833 4.320 -0.000 0.000 0.286 189 K C -1.047 175.691 176.600 0.229 0.000 1.072 189 K CA -0.323 56.117 56.287 0.256 0.000 0.913 189 K CB 1.231 33.912 32.500 0.301 0.000 1.067 189 K HN 0.566 nan 8.250 nan 0.000 0.479 190 I N 1.974 122.546 120.570 0.003 0.000 2.793 190 I HA 0.136 4.306 4.170 -0.000 0.000 0.313 190 I C 0.004 176.030 176.117 -0.152 0.000 0.998 190 I CA -0.474 60.667 61.300 -0.264 0.000 1.140 190 I CB 1.777 39.426 38.000 -0.585 0.000 1.327 190 I HN 0.491 nan 8.210 nan 0.000 0.491 191 Q N 3.993 123.677 119.800 -0.193 0.000 2.312 191 Q HA 0.753 5.093 4.340 -0.000 0.000 0.263 191 Q C -1.647 174.494 176.000 0.236 0.000 0.995 191 Q CA -0.681 55.121 55.803 -0.002 0.000 0.853 191 Q CB 1.810 30.499 28.738 -0.082 0.000 1.300 191 Q HN 0.555 nan 8.270 nan 0.000 0.448 192 V N 0.090 120.059 119.914 0.092 0.000 3.141 192 V HA 0.572 4.692 4.120 -0.000 0.000 0.312 192 V C -0.711 175.211 176.094 -0.287 0.000 1.157 192 V CA -1.317 60.936 62.300 -0.078 0.000 1.041 192 V CB 1.704 33.504 31.823 -0.040 0.000 1.071 192 V HN 0.822 nan 8.190 nan 0.000 0.441 193 K N 1.545 121.609 120.400 -0.559 0.000 2.383 193 K HA 0.161 4.481 4.320 -0.000 0.000 0.286 193 K C -0.280 176.215 176.600 -0.175 0.000 1.051 193 K CA -0.023 56.023 56.287 -0.401 0.000 0.974 193 K CB 0.280 32.528 32.500 -0.421 0.000 0.968 193 K HN 0.972 nan 8.250 nan 0.000 0.475 194 D N 1.936 122.273 120.400 -0.105 0.000 2.357 194 D HA -0.049 4.591 4.640 -0.000 0.000 0.242 194 D C 1.085 177.356 176.300 -0.049 0.000 1.153 194 D CA 0.235 54.200 54.000 -0.057 0.000 0.918 194 D CB 1.067 41.849 40.800 -0.030 0.000 1.181 194 D HN 0.479 nan 8.370 nan 0.000 0.435 195 S N 1.710 117.389 115.700 -0.035 0.000 2.407 195 S HA -0.180 4.290 4.470 -0.000 0.000 0.235 195 S C 1.082 175.670 174.600 -0.021 0.000 1.036 195 S CA 0.594 58.778 58.200 -0.027 0.000 1.013 195 S CB -0.647 62.541 63.200 -0.020 0.000 0.820 195 S HN 0.637 nan 8.310 nan 0.000 0.476 196 A N 2.240 125.050 122.820 -0.017 0.000 2.440 196 A HA 0.395 4.715 4.320 -0.000 0.000 0.251 196 A C 0.405 177.981 177.584 -0.012 0.000 1.089 196 A CA -0.411 51.619 52.037 -0.010 0.000 0.779 196 A CB 0.189 19.186 19.000 -0.005 0.000 1.022 196 A HN 0.317 nan 8.150 nan 0.000 0.492 197 Q N 1.883 121.679 119.800 -0.007 0.000 2.304 197 Q HA 0.115 4.455 4.340 -0.000 0.000 0.260 197 Q C -0.289 175.711 176.000 -0.000 0.000 0.965 197 Q CA 0.152 55.952 55.803 -0.005 0.000 0.898 197 Q CB 0.630 29.367 28.738 -0.002 0.000 1.196 197 Q HN 0.765 nan 8.270 nan 0.000 0.402 198 N N 0.968 119.669 118.700 0.002 0.000 2.529 198 N HA 0.290 5.030 4.740 -0.000 0.000 0.278 198 N C -0.432 175.082 175.510 0.006 0.000 1.146 198 N CA 0.073 53.129 53.050 0.010 0.000 0.980 198 N CB 1.187 39.685 38.487 0.020 0.000 1.124 198 N HN 0.585 nan 8.380 nan 0.000 0.458 199 S N -1.293 114.411 115.700 0.007 0.000 2.567 199 S HA 0.483 4.953 4.470 -0.000 0.000 0.270 199 S C -0.943 173.657 174.600 0.000 0.000 1.152 199 S CA -0.981 57.218 58.200 -0.001 0.000 0.835 199 S CB 0.955 64.154 63.200 -0.003 0.000 1.115 199 S HN 0.283 nan 8.310 nan 0.000 0.459 200 V N -0.163 119.745 119.914 -0.009 0.000 2.448 200 V HA 0.936 5.056 4.120 -0.000 0.000 0.295 200 V C -0.761 175.329 176.094 -0.006 0.000 1.025 200 V CA -0.664 61.632 62.300 -0.007 0.000 0.859 200 V CB 0.834 32.646 31.823 -0.019 0.000 0.988 200 V HN 1.107 nan 8.190 nan 0.000 0.431 201 I N 4.991 125.566 120.570 0.008 0.000 2.571 201 I HA 0.586 4.756 4.170 -0.000 0.000 0.289 201 I C -0.516 175.616 176.117 0.026 0.000 1.115 201 I CA -0.831 60.481 61.300 0.020 0.000 1.045 201 I CB 1.747 39.762 38.000 0.025 0.000 1.238 201 I HN 0.713 nan 8.210 nan 0.000 0.424 202 I N 7.774 128.364 120.570 0.034 0.000 2.556 202 I HA 0.456 4.626 4.170 -0.000 0.000 0.284 202 I C -0.087 176.051 176.117 0.034 0.000 1.114 202 I CA -0.211 61.109 61.300 0.034 0.000 1.418 202 I CB 0.861 38.884 38.000 0.039 0.000 1.394 202 I HN 0.550 nan 8.210 nan 0.000 0.552 203 V N 4.854 124.786 119.914 0.031 0.000 3.225 203 V HA 0.529 4.648 4.120 -0.000 0.000 0.293 203 V C -2.133 173.977 176.094 0.027 0.000 1.405 203 V CA -0.541 61.776 62.300 0.028 0.000 1.038 203 V CB 2.529 34.368 31.823 0.026 0.000 1.123 203 V HN 0.796 nan 8.190 nan 0.000 0.447 204 D N 2.566 122.981 120.400 0.024 0.000 2.646 204 D HA 0.616 5.256 4.640 -0.000 0.000 0.245 204 D C 0.567 176.880 176.300 0.021 0.000 1.099 204 D CA -0.069 53.945 54.000 0.023 0.000 0.849 204 D CB 2.462 43.275 40.800 0.022 0.000 1.448 204 D HN 0.765 nan 8.370 nan 0.000 0.489 205 K N 1.685 122.097 120.400 0.020 0.000 4.362 205 K HA -0.346 3.974 4.320 -0.000 0.000 0.360 205 K C -0.143 176.468 176.600 0.018 0.000 0.683 205 K CA 2.528 58.826 56.287 0.018 0.000 1.248 205 K CB -1.837 30.673 32.500 0.017 0.000 0.915 205 K HN 0.729 nan 8.250 nan 0.000 0.740 206 N N 1.726 120.435 118.700 0.016 0.000 2.423 206 N HA 0.294 5.033 4.740 -0.000 0.000 0.275 206 N C 0.662 176.183 175.510 0.017 0.000 1.283 206 N CA 0.556 53.615 53.050 0.016 0.000 0.932 206 N CB 0.548 39.043 38.487 0.014 0.000 1.185 206 N HN 0.549 nan 8.380 nan 0.000 0.483 207 G N 2.077 110.888 108.800 0.018 0.000 2.492 207 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.353 207 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.353 207 G C -0.175 174.738 174.900 0.022 0.000 1.297 207 G CA -0.353 44.759 45.100 0.020 0.000 1.192 207 G HN 1.046 nan 8.290 nan 0.000 0.677 208 R N -2.056 118.459 120.500 0.025 0.000 3.614 208 R HA -0.143 4.197 4.340 -0.000 0.000 0.098 208 R C -1.325 174.993 176.300 0.030 0.000 1.028 208 R CA 0.605 56.723 56.100 0.030 0.000 0.827 208 R CB -0.974 29.343 30.300 0.028 0.000 1.901 208 R HN 0.367 nan 8.270 nan 0.000 0.174 209 L N 2.156 123.402 121.223 0.038 0.000 2.630 209 L HA 0.256 4.596 4.340 -0.000 0.000 0.249 209 L C -0.086 176.812 176.870 0.047 0.000 1.130 209 L CA -0.734 54.125 54.840 0.033 0.000 0.987 209 L CB 0.967 43.042 42.059 0.027 0.000 1.575 209 L HN 0.443 nan 8.230 nan 0.000 0.386 210 V N 2.792 122.723 119.914 0.029 0.000 3.274 210 V HA -0.222 3.897 4.120 -0.000 0.000 0.250 210 V C -0.435 175.735 176.094 0.126 0.000 0.960 210 V CA 1.516 63.828 62.300 0.021 0.000 1.100 210 V CB -2.664 29.169 31.823 0.017 0.000 0.730 210 V HN 0.599 nan 8.190 nan 0.000 0.454 211 Y N 0.081 120.380 120.300 -0.002 0.000 2.515 211 Y HA -0.258 4.292 4.550 -0.000 0.000 0.021 211 Y C 0.735 176.633 175.900 -0.004 0.000 1.710 211 Y CA -0.067 58.031 58.100 -0.004 0.000 1.413 211 Y CB -0.082 38.372 38.460 -0.009 0.000 2.059 211 Y HN 0.454 nan 8.280 nan 0.000 0.255 212 L N 3.338 124.679 121.223 0.198 0.000 2.612 212 L HA 0.151 4.491 4.340 -0.000 0.000 0.230 212 L C 1.269 178.135 176.870 -0.007 0.000 1.140 212 L CA 0.582 55.462 54.840 0.066 0.000 0.896 212 L CB -0.319 41.763 42.059 0.038 0.000 1.065 212 L HN 0.747 nan 8.230 nan 0.000 0.447 213 V N -0.136 119.765 119.914 -0.022 0.000 0.601 213 V HA -0.464 3.656 4.120 -0.000 0.000 0.092 213 V C 0.497 176.441 176.094 -0.251 0.000 1.742 213 V CA 2.371 64.587 62.300 -0.140 0.000 3.367 213 V CB -1.247 30.543 31.823 -0.055 0.000 0.651 213 V HN 0.900 nan 8.190 nan 0.000 0.670 214 E N -0.754 119.361 120.200 -0.143 0.000 2.431 214 E HA 0.333 4.683 4.350 -0.000 0.000 0.287 214 E C -1.139 175.422 176.600 -0.066 0.000 1.032 214 E CA -0.374 55.950 56.400 -0.127 0.000 0.839 214 E CB 1.146 30.775 29.700 -0.119 0.000 1.218 214 E HN 0.360 nan 8.360 nan 0.000 0.424 215 N N 4.875 123.544 118.700 -0.053 0.000 3.234 215 N HA 0.271 5.011 4.740 -0.000 0.000 0.272 215 N C -2.562 172.943 175.510 -0.009 0.000 1.254 215 N CA -1.371 51.665 53.050 -0.022 0.000 1.087 215 N CB 0.936 39.414 38.487 -0.016 0.000 1.356 215 N HN 0.360 nan 8.380 nan 0.000 0.511 216 P HA -0.119 nan 4.420 nan 0.000 0.265 216 P C 1.123 178.451 177.300 0.047 0.000 1.151 216 P CA 0.489 63.594 63.100 0.008 0.000 0.755 216 P CB 0.697 32.394 31.700 -0.006 0.000 0.756 217 G N 2.594 111.442 108.800 0.080 0.000 2.494 217 G HA2 0.161 4.121 3.960 -0.000 0.000 0.216 217 G HA3 0.161 4.121 3.960 -0.000 0.000 0.216 217 G C 0.734 175.791 174.900 0.261 0.000 1.140 217 G CA 0.686 45.874 45.100 0.148 0.000 0.801 217 G HN 0.695 nan 8.290 nan 0.000 0.536 218 G N -1.205 107.716 108.800 0.201 0.000 2.887 218 G HA2 0.648 4.607 3.960 -0.000 0.000 0.277 218 G HA3 0.648 4.607 3.960 -0.000 0.000 0.277 218 G C -1.063 173.949 174.900 0.187 0.000 1.346 218 G CA -0.802 44.418 45.100 0.200 0.000 1.058 218 G HN 0.569 nan 8.290 nan 0.000 0.535 219 Y N -3.517 116.671 120.300 -0.186 0.000 2.689 219 Y HA 0.631 5.181 4.550 -0.000 0.000 0.333 219 Y C -1.385 174.350 175.900 -0.274 0.000 1.208 219 Y CA -1.546 56.460 58.100 -0.156 0.000 1.055 219 Y CB 1.374 39.816 38.460 -0.031 0.000 1.304 219 Y HN 0.409 nan 8.280 nan 0.000 0.455 220 V N 2.972 122.672 119.914 -0.358 0.000 2.328 220 V HA 0.671 4.791 4.120 -0.000 0.000 0.278 220 V C 0.681 176.547 176.094 -0.380 0.000 1.021 220 V CA -0.300 61.672 62.300 -0.546 0.000 0.838 220 V CB 0.321 31.985 31.823 -0.265 0.000 0.999 220 V HN 1.019 nan 8.190 nan 0.000 0.447 221 A N 3.782 126.232 122.820 -0.617 0.000 2.504 221 A HA 0.321 4.641 4.320 -0.000 0.000 0.242 221 A C 0.598 178.177 177.584 -0.009 0.000 1.100 221 A CA 0.312 52.197 52.037 -0.254 0.000 0.786 221 A CB -0.555 18.237 19.000 -0.347 0.000 1.050 221 A HN 1.095 nan 8.150 nan 0.000 0.512 222 Y N -0.867 119.515 120.300 0.136 0.000 4.317 222 Y HA -0.240 4.310 4.550 -0.000 0.000 0.212 222 Y C 1.281 177.237 175.900 0.092 0.000 1.080 222 Y CA 0.958 59.125 58.100 0.111 0.000 1.735 222 Y CB -1.904 36.596 38.460 0.067 0.000 1.567 222 Y HN 0.693 nan 8.280 nan 0.000 0.619 223 S N 0.773 116.579 115.700 0.176 0.000 2.576 223 S HA 0.303 4.773 4.470 -0.000 0.000 0.276 223 S C 0.261 174.940 174.600 0.133 0.000 1.339 223 S CA -0.803 57.478 58.200 0.135 0.000 1.039 223 S CB 0.821 64.078 63.200 0.095 0.000 0.902 223 S HN 0.272 nan 8.310 nan 0.000 0.516 224 K N 3.136 123.603 120.400 0.113 0.000 2.472 224 K HA 0.250 4.570 4.320 -0.000 0.000 0.280 224 K C -0.214 176.437 176.600 0.085 0.000 1.028 224 K CA 0.504 56.851 56.287 0.099 0.000 1.045 224 K CB 0.008 32.557 32.500 0.082 0.000 0.902 224 K HN 0.595 nan 8.250 nan 0.000 0.478 225 A N 3.892 126.761 122.820 0.082 0.000 2.539 225 A HA 0.574 4.894 4.320 -0.000 0.000 0.306 225 A C -0.261 177.355 177.584 0.053 0.000 1.392 225 A CA 0.347 52.423 52.037 0.066 0.000 1.060 225 A CB -0.713 18.324 19.000 0.063 0.000 1.134 225 A HN 0.941 nan 8.150 nan 0.000 0.542 226 A N 1.504 124.353 122.820 0.049 0.000 2.483 226 A HA 0.888 5.208 4.320 -0.000 0.000 0.306 226 A C -0.405 177.201 177.584 0.037 0.000 1.137 226 A CA 0.119 52.181 52.037 0.041 0.000 0.626 226 A CB 0.737 19.762 19.000 0.043 0.000 1.352 226 A HN 1.476 nan 8.150 nan 0.000 0.508 227 T N -0.171 114.403 114.554 0.034 0.000 3.237 227 T HA 0.616 4.966 4.350 -0.000 0.000 0.319 227 T C -1.346 173.373 174.700 0.030 0.000 1.037 227 T CA 0.257 62.376 62.100 0.031 0.000 1.048 227 T CB 0.428 69.312 68.868 0.026 0.000 1.081 227 T HN 2.193 nan 8.240 nan 0.000 0.455 228 V N 1.521 121.454 119.914 0.032 0.000 3.159 228 V HA 0.996 5.116 4.120 -0.000 0.000 0.308 228 V C -0.491 175.622 176.094 0.032 0.000 1.190 228 V CA -0.741 61.578 62.300 0.032 0.000 1.037 228 V CB 1.585 33.428 31.823 0.035 0.000 1.060 228 V HN 0.925 nan 8.190 nan 0.000 0.437 229 T N 0.135 114.707 114.554 0.031 0.000 2.903 229 T HA 0.958 5.308 4.350 -0.000 0.000 0.299 229 T C -0.197 174.524 174.700 0.034 0.000 1.093 229 T CA 0.471 62.591 62.100 0.032 0.000 1.002 229 T CB 1.398 70.283 68.868 0.029 0.000 1.127 229 T HN 2.396 nan 8.240 nan 0.000 0.488 230 G N 2.100 110.922 108.800 0.037 0.000 2.323 230 G HA2 0.321 4.281 3.960 -0.000 0.000 0.291 230 G HA3 0.321 4.281 3.960 -0.000 0.000 0.291 230 G C -1.466 173.462 174.900 0.045 0.000 1.278 230 G CA -0.925 44.199 45.100 0.039 0.000 0.860 230 G HN 0.834 nan 8.290 nan 0.000 0.504 231 K N -0.841 119.588 120.400 0.048 0.000 2.344 231 K HA 0.340 4.660 4.320 -0.000 0.000 0.260 231 K C -0.815 175.828 176.600 0.071 0.000 0.988 231 K CA -0.028 56.294 56.287 0.058 0.000 0.909 231 K CB 0.830 33.364 32.500 0.057 0.000 0.968 231 K HN 0.372 nan 8.250 nan 0.000 0.505 232 L N 1.954 123.230 121.223 0.087 0.000 2.454 232 L HA 0.215 4.555 4.340 -0.000 0.000 0.258 232 L C -1.073 175.890 176.870 0.154 0.000 1.025 232 L CA -0.540 54.366 54.840 0.110 0.000 0.901 232 L CB 1.347 43.465 42.059 0.098 0.000 1.210 232 L HN 0.320 nan 8.230 nan 0.000 0.457 233 V N 2.763 122.774 119.914 0.161 0.000 2.953 233 V HA 0.274 4.394 4.120 -0.000 0.000 0.304 233 V C -0.385 175.888 176.094 0.297 0.000 1.073 233 V CA -0.552 61.869 62.300 0.202 0.000 1.064 233 V CB 1.293 33.209 31.823 0.155 0.000 1.047 233 V HN 0.778 nan 8.190 nan 0.000 0.478 234 H N 2.472 121.671 119.070 0.216 0.000 2.645 234 H HA 0.620 5.176 4.556 -0.000 0.000 0.257 234 H C -0.028 175.447 175.328 0.244 0.000 1.269 234 H CA -0.463 55.744 56.048 0.265 0.000 1.409 234 H CB 0.443 30.413 29.762 0.347 0.000 1.434 234 H HN 0.765 nan 8.280 nan 0.000 0.505 235 A N 4.666 127.495 122.820 0.015 0.000 2.807 235 A HA 0.167 4.487 4.320 -0.000 0.000 0.307 235 A C 0.488 177.894 177.584 -0.297 0.000 1.532 235 A CA -0.486 51.510 52.037 -0.070 0.000 1.215 235 A CB -1.063 17.964 19.000 0.046 0.000 1.127 235 A HN 0.927 nan 8.150 nan 0.000 0.543 236 N N 1.971 120.239 118.700 -0.721 0.000 2.024 236 N HA -0.185 4.555 4.740 -0.000 0.000 0.282 236 N C -0.163 175.166 175.510 -0.302 0.000 1.234 236 N CA 0.908 53.363 53.050 -0.993 0.000 0.817 236 N CB -0.629 36.403 38.487 -2.424 0.000 1.051 236 N HN 0.598 nan 8.380 nan 0.000 0.478 237 F N 0.744 120.554 119.950 -0.233 0.000 2.251 237 F HA -0.241 4.286 4.527 -0.000 0.000 0.173 237 F C 1.703 177.441 175.800 -0.104 0.000 1.018 237 F CA 0.051 57.999 58.000 -0.086 0.000 0.811 237 F CB -1.346 37.706 39.000 0.087 0.000 0.827 237 F HN 0.860 nan 8.300 nan 0.000 0.800 238 G N 3.312 112.137 108.800 0.042 0.000 2.318 238 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.272 238 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.272 238 G C 0.942 175.811 174.900 -0.052 0.000 0.845 238 G CA 1.299 46.369 45.100 -0.049 0.000 1.153 238 G HN 1.930 nan 8.290 nan 0.000 0.460 239 T N -2.770 111.790 114.554 0.010 0.000 10.265 239 T HA -0.506 3.844 4.350 -0.000 0.000 0.414 239 T C 1.578 176.188 174.700 -0.149 0.000 1.478 239 T CA 2.603 64.713 62.100 0.016 0.000 2.460 239 T CB -1.607 67.263 68.868 0.003 0.000 2.923 239 T HN 2.075 nan 8.240 nan 0.000 1.128 240 K N 1.474 121.704 120.400 -0.283 0.000 3.377 240 K HA -0.441 3.878 4.320 -0.000 0.000 0.314 240 K C 0.998 177.396 176.600 -0.336 0.000 1.246 240 K CA 2.837 58.830 56.287 -0.491 0.000 0.961 240 K CB -1.250 30.524 32.500 -1.209 0.000 1.233 240 K HN 0.982 nan 8.250 nan 0.000 0.428 241 K N -1.561 118.725 120.400 -0.189 0.000 3.376 241 K HA -0.337 3.983 4.320 -0.000 0.000 0.326 241 K C 0.794 177.346 176.600 -0.080 0.000 0.744 241 K CA 2.253 58.477 56.287 -0.105 0.000 1.436 241 K CB -1.548 30.888 32.500 -0.107 0.000 1.298 241 K HN 0.418 nan 8.250 nan 0.000 0.463 242 D N -0.277 120.027 120.400 -0.160 0.000 2.106 242 D HA 0.015 4.655 4.640 -0.000 0.000 0.203 242 D C 1.673 178.042 176.300 0.117 0.000 0.977 242 D CA 1.706 55.667 54.000 -0.065 0.000 0.844 242 D CB -0.418 40.279 40.800 -0.171 0.000 1.002 242 D HN 0.461 nan 8.370 nan 0.000 0.461 243 F N 0.697 120.627 119.950 -0.033 0.000 2.346 243 F HA -0.128 4.399 4.527 -0.000 0.000 0.301 243 F C 2.163 177.974 175.800 0.018 0.000 1.070 243 F CA 0.298 58.271 58.000 -0.045 0.000 1.407 243 F CB -0.006 38.862 39.000 -0.220 0.000 1.072 243 F HN 0.039 nan 8.300 nan 0.000 0.543 244 E N 0.080 120.388 120.200 0.179 0.000 2.333 244 E HA -0.143 4.207 4.350 -0.000 0.000 0.198 244 E C 0.340 177.018 176.600 0.132 0.000 1.007 244 E CA 0.746 57.222 56.400 0.126 0.000 0.845 244 E CB -0.446 29.296 29.700 0.071 0.000 0.766 244 E HN 0.396 nan 8.360 nan 0.000 0.507 245 D N 1.315 121.806 120.400 0.151 0.000 2.801 245 D HA 0.097 4.737 4.640 -0.000 0.000 0.232 245 D C 0.323 176.725 176.300 0.171 0.000 1.128 245 D CA 0.075 54.157 54.000 0.136 0.000 1.003 245 D CB -0.353 40.522 40.800 0.125 0.000 1.110 245 D HN 0.077 nan 8.370 nan 0.000 0.477 246 L N -2.222 119.105 121.223 0.173 0.000 2.256 246 L HA 0.441 4.781 4.340 -0.000 0.000 0.261 246 L C 1.097 178.071 176.870 0.173 0.000 1.022 246 L CA -0.875 54.086 54.840 0.202 0.000 0.828 246 L CB 0.842 43.060 42.059 0.264 0.000 1.374 246 L HN -0.172 nan 8.230 nan 0.000 0.436 247 Y N 0.858 121.191 120.300 0.056 0.000 2.034 247 Y HA -0.059 4.491 4.550 -0.000 0.000 0.269 247 Y C 1.042 176.970 175.900 0.046 0.000 1.125 247 Y CA 1.982 60.104 58.100 0.036 0.000 1.097 247 Y CB -0.395 38.069 38.460 0.008 0.000 0.978 247 Y HN 0.700 nan 8.280 nan 0.000 0.480 248 T N 4.878 119.424 114.554 -0.012 0.000 2.871 248 T HA 0.095 4.445 4.350 -0.000 0.000 0.296 248 T C -2.330 172.335 174.700 -0.058 0.000 0.998 248 T CA -0.815 61.227 62.100 -0.098 0.000 1.162 248 T CB 0.435 69.352 68.868 0.082 0.000 0.947 248 T HN 0.259 nan 8.240 nan 0.000 0.536 249 P HA 0.223 nan 4.420 nan 0.000 0.282 249 P C 0.569 177.873 177.300 0.006 0.000 1.249 249 P CA -0.544 62.532 63.100 -0.040 0.000 0.806 249 P CB 1.135 32.796 31.700 -0.065 0.000 0.984 250 V N -1.626 118.303 119.914 0.026 0.000 3.444 250 V HA 0.198 4.318 4.120 -0.000 0.000 0.308 250 V C 0.859 176.973 176.094 0.034 0.000 1.371 250 V CA -0.268 62.057 62.300 0.043 0.000 1.141 250 V CB -1.430 30.427 31.823 0.056 0.000 1.037 250 V HN 0.398 nan 8.190 nan 0.000 0.433 251 N N 3.529 122.242 118.700 0.021 0.000 2.374 251 N HA 0.216 4.955 4.740 -0.000 0.000 0.298 251 N C 1.037 176.561 175.510 0.023 0.000 1.273 251 N CA 1.338 54.399 53.050 0.019 0.000 1.093 251 N CB -0.858 37.634 38.487 0.009 0.000 1.486 251 N HN 0.979 nan 8.380 nan 0.000 0.488 252 G N 1.732 110.550 108.800 0.029 0.000 2.638 252 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.269 252 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.269 252 G C -0.687 174.235 174.900 0.036 0.000 1.141 252 G CA 0.041 45.159 45.100 0.031 0.000 1.081 252 G HN 1.159 nan 8.290 nan 0.000 0.527 253 S N -1.020 114.706 115.700 0.043 0.000 2.558 253 S HA 0.675 5.145 4.470 -0.000 0.000 0.277 253 S C -0.159 174.478 174.600 0.061 0.000 1.143 253 S CA -0.977 57.254 58.200 0.051 0.000 0.865 253 S CB 1.420 64.652 63.200 0.054 0.000 1.102 253 S HN 0.904 nan 8.310 nan 0.000 0.454 254 I N 1.518 122.127 120.570 0.064 0.000 2.892 254 I HA 0.332 4.502 4.170 -0.000 0.000 0.287 254 I C -0.332 175.841 176.117 0.094 0.000 1.205 254 I CA -0.326 61.017 61.300 0.072 0.000 1.409 254 I CB 0.566 38.606 38.000 0.066 0.000 1.367 254 I HN 0.481 nan 8.210 nan 0.000 0.597 255 V N 6.017 125.993 119.914 0.103 0.000 2.876 255 V HA 0.490 4.610 4.120 -0.000 0.000 0.312 255 V C -0.189 176.005 176.094 0.167 0.000 1.085 255 V CA -0.609 61.773 62.300 0.136 0.000 0.945 255 V CB 2.210 34.101 31.823 0.113 0.000 1.017 255 V HN 0.432 nan 8.190 nan 0.000 0.428 256 I N 3.786 124.510 120.570 0.257 0.000 2.562 256 I HA 0.812 4.982 4.170 -0.000 0.000 0.301 256 I C -0.587 175.755 176.117 0.374 0.000 1.003 256 I CA -0.947 60.561 61.300 0.346 0.000 1.127 256 I CB 2.008 40.298 38.000 0.483 0.000 1.304 256 I HN 0.542 nan 8.210 nan 0.000 0.446 257 V N 2.056 122.116 119.914 0.244 0.000 3.087 257 V HA 0.613 4.733 4.120 -0.000 0.000 0.306 257 V C -0.812 175.203 176.094 -0.132 0.000 1.187 257 V CA -1.138 61.207 62.300 0.074 0.000 0.999 257 V CB 2.016 33.842 31.823 0.005 0.000 1.049 257 V HN 0.730 nan 8.190 nan 0.000 0.431 258 R N 1.811 122.216 120.500 -0.158 0.000 2.500 258 R HA 0.807 5.147 4.340 -0.000 0.000 0.275 258 R C 0.135 176.424 176.300 -0.019 0.000 1.051 258 R CA 0.042 55.995 56.100 -0.246 0.000 1.088 258 R CB 1.478 31.719 30.300 -0.097 0.000 1.063 258 R HN 1.147 nan 8.270 nan 0.000 0.511 259 A N 1.328 124.099 122.820 -0.083 0.000 2.347 259 A HA 0.554 4.874 4.320 -0.000 0.000 0.287 259 A C 0.366 177.991 177.584 0.069 0.000 1.199 259 A CA 0.471 52.402 52.037 -0.177 0.000 0.851 259 A CB 0.209 18.997 19.000 -0.353 0.000 1.118 259 A HN 0.878 nan 8.150 nan 0.000 0.525 260 G N 1.411 110.066 108.800 -0.242 0.000 3.218 260 G HA2 0.161 4.120 3.960 -0.000 0.000 0.143 260 G HA3 0.161 4.120 3.960 -0.000 0.000 0.143 260 G C 0.682 175.187 174.900 -0.658 0.000 1.220 260 G CA 0.016 44.759 45.100 -0.595 0.000 1.382 260 G HN 0.474 nan 8.290 nan 0.000 0.682 261 K N 0.150 119.943 120.400 -1.013 0.000 2.207 261 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 261 K C 1.369 177.736 176.600 -0.389 0.000 1.046 261 K CA 1.961 57.890 56.287 -0.596 0.000 0.929 261 K CB -0.549 31.624 32.500 -0.545 0.000 0.720 261 K HN 0.561 nan 8.250 nan 0.000 0.463 262 I N -3.152 117.199 120.570 -0.365 0.000 3.516 262 I HA 0.278 4.448 4.170 -0.000 0.000 0.297 262 I C -0.067 175.912 176.117 -0.230 0.000 1.139 262 I CA -1.247 59.890 61.300 -0.272 0.000 1.020 262 I CB 1.763 39.611 38.000 -0.254 0.000 1.341 262 I HN -0.199 nan 8.210 nan 0.000 0.490 263 T N -1.843 112.605 114.554 -0.177 0.000 2.907 263 T HA 0.430 4.780 4.350 -0.000 0.000 0.284 263 T C 0.600 175.277 174.700 -0.038 0.000 1.004 263 T CA -0.444 61.606 62.100 -0.084 0.000 1.063 263 T CB 1.052 69.853 68.868 -0.112 0.000 0.992 263 T HN 0.461 nan 8.240 nan 0.000 0.483 264 F N 1.676 121.550 119.950 -0.126 0.000 2.085 264 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 264 F C 2.962 178.708 175.800 -0.089 0.000 1.096 264 F CA 2.051 59.995 58.000 -0.094 0.000 1.227 264 F CB -1.424 37.515 39.000 -0.102 0.000 0.983 264 F HN 0.814 nan 8.300 nan 0.000 0.482 265 A N -0.112 122.766 122.820 0.097 0.000 1.896 265 A HA -0.302 4.018 4.320 -0.000 0.000 0.220 265 A C 2.169 179.742 177.584 -0.018 0.000 1.206 265 A CA 2.353 54.394 52.037 0.006 0.000 0.647 265 A CB -1.027 17.904 19.000 -0.116 0.000 0.828 265 A HN 0.527 nan 8.150 nan 0.000 0.455 266 E N -0.419 119.743 120.200 -0.064 0.000 2.047 266 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 266 E C 2.147 178.707 176.600 -0.066 0.000 0.987 266 E CA 1.290 57.642 56.400 -0.080 0.000 0.799 266 E CB -0.201 29.423 29.700 -0.127 0.000 0.752 266 E HN 0.609 nan 8.360 nan 0.000 0.449 267 K N 0.609 120.962 120.400 -0.078 0.000 2.020 267 K HA -0.178 4.142 4.320 -0.000 0.000 0.212 267 K C 2.276 178.863 176.600 -0.021 0.000 1.050 267 K CA 1.663 57.906 56.287 -0.074 0.000 0.929 267 K CB -0.329 32.100 32.500 -0.119 0.000 0.714 267 K HN 0.009 nan 8.250 nan 0.000 0.443 268 V N 1.434 121.355 119.914 0.012 0.000 2.261 268 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 268 V C 2.465 178.576 176.094 0.029 0.000 1.047 268 V CA 1.963 64.285 62.300 0.037 0.000 1.015 268 V CB -0.948 30.916 31.823 0.067 0.000 0.642 268 V HN 0.383 nan 8.190 nan 0.000 0.446 269 A N 1.111 123.942 122.820 0.019 0.000 1.884 269 A HA -0.325 3.995 4.320 -0.000 0.000 0.219 269 A C 2.086 179.677 177.584 0.011 0.000 1.197 269 A CA 2.537 54.583 52.037 0.016 0.000 0.637 269 A CB -0.880 18.120 19.000 0.001 0.000 0.827 269 A HN 0.647 nan 8.150 nan 0.000 0.450 270 N N 0.333 119.031 118.700 -0.005 0.000 2.084 270 N HA -0.133 4.607 4.740 -0.000 0.000 0.190 270 N C 1.978 177.496 175.510 0.013 0.000 1.030 270 N CA 1.644 54.691 53.050 -0.004 0.000 0.849 270 N CB -0.790 37.682 38.487 -0.025 0.000 1.012 270 N HN 0.507 nan 8.380 nan 0.000 0.423 271 A N 1.358 124.189 122.820 0.018 0.000 1.903 271 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 271 A C 2.159 179.764 177.584 0.036 0.000 1.191 271 A CA 1.953 54.010 52.037 0.033 0.000 0.638 271 A CB -0.724 18.299 19.000 0.040 0.000 0.823 271 A HN 0.487 nan 8.150 nan 0.000 0.451 272 E N 0.087 120.308 120.200 0.035 0.000 2.208 272 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 272 E C 2.020 178.640 176.600 0.032 0.000 0.988 272 E CA 1.119 57.541 56.400 0.037 0.000 0.828 272 E CB -0.100 29.624 29.700 0.041 0.000 0.763 272 E HN 0.757 nan 8.360 nan 0.000 0.478 273 S N 0.081 115.798 115.700 0.027 0.000 2.474 273 S HA -0.051 4.418 4.470 -0.000 0.000 0.235 273 S C 1.533 176.148 174.600 0.026 0.000 0.997 273 S CA 0.380 58.595 58.200 0.025 0.000 0.949 273 S CB 0.083 63.294 63.200 0.019 0.000 0.766 273 S HN 0.228 nan 8.310 nan 0.000 0.517 274 L N 1.695 122.935 121.223 0.028 0.000 2.700 274 L HA 0.377 4.717 4.340 -0.000 0.000 0.234 274 L C 0.311 177.198 176.870 0.029 0.000 1.156 274 L CA 0.319 55.176 54.840 0.029 0.000 0.946 274 L CB -2.056 40.022 42.059 0.032 0.000 1.216 274 L HN 0.438 nan 8.230 nan 0.000 0.493 275 N N -0.587 118.131 118.700 0.030 0.000 2.776 275 N HA -0.167 4.572 4.740 -0.000 0.000 0.250 275 N C 0.564 176.095 175.510 0.034 0.000 1.112 275 N CA 0.408 53.476 53.050 0.031 0.000 0.733 275 N CB -0.465 38.038 38.487 0.027 0.000 1.097 275 N HN 0.451 nan 8.380 nan 0.000 0.558 276 A N 0.245 123.089 122.820 0.039 0.000 2.250 276 A HA 0.798 5.118 4.320 -0.000 0.000 0.283 276 A C 0.174 177.785 177.584 0.045 0.000 1.206 276 A CA 0.056 52.120 52.037 0.044 0.000 0.840 276 A CB 0.411 19.442 19.000 0.051 0.000 1.220 276 A HN 0.294 nan 8.150 nan 0.000 0.505 277 I N -3.227 117.372 120.570 0.049 0.000 2.692 277 I HA 0.661 4.831 4.170 -0.000 0.000 0.293 277 I C 0.189 176.338 176.117 0.054 0.000 1.200 277 I CA 0.059 61.388 61.300 0.049 0.000 1.036 277 I CB 1.016 39.042 38.000 0.044 0.000 1.258 277 I HN 1.662 nan 8.210 nan 0.000 0.421 278 G N 2.842 111.675 108.800 0.055 0.000 2.892 278 G HA2 0.224 4.184 3.960 -0.000 0.000 0.686 278 G HA3 0.224 4.184 3.960 -0.000 0.000 0.686 278 G C -1.030 173.909 174.900 0.065 0.000 1.244 278 G CA -0.390 44.745 45.100 0.058 0.000 0.947 278 G HN 1.024 nan 8.290 nan 0.000 0.584 279 V N 3.739 123.693 119.914 0.068 0.000 2.808 279 V HA 0.648 4.768 4.120 -0.000 0.000 0.308 279 V C -0.177 175.964 176.094 0.079 0.000 1.099 279 V CA -1.173 61.173 62.300 0.077 0.000 0.920 279 V CB 1.899 33.765 31.823 0.072 0.000 1.014 279 V HN 0.814 nan 8.190 nan 0.000 0.425 280 L N 5.183 126.464 121.223 0.097 0.000 2.329 280 L HA 0.656 4.996 4.340 -0.000 0.000 0.279 280 L C -0.674 176.275 176.870 0.131 0.000 1.014 280 L CA -0.436 54.464 54.840 0.101 0.000 0.814 280 L CB 1.598 43.717 42.059 0.101 0.000 1.257 280 L HN 0.492 nan 8.230 nan 0.000 0.424 281 I N 4.408 125.053 120.570 0.125 0.000 2.406 281 I HA 0.426 4.596 4.170 -0.000 0.000 0.290 281 I C -0.418 175.898 176.117 0.332 0.000 0.999 281 I CA -0.491 60.888 61.300 0.133 0.000 1.124 281 I CB 1.529 39.587 38.000 0.097 0.000 1.289 281 I HN 0.460 nan 8.210 nan 0.000 0.441 282 Y N 4.322 124.788 120.300 0.277 0.000 2.576 282 Y HA 0.794 5.344 4.550 -0.000 0.000 0.346 282 Y C -1.040 174.921 175.900 0.103 0.000 1.018 282 Y CA -1.794 56.492 58.100 0.311 0.000 1.050 282 Y CB 1.441 39.995 38.460 0.155 0.000 1.280 282 Y HN 0.345 nan 8.280 nan 0.000 0.474 283 M N 4.272 123.950 119.600 0.130 0.000 2.365 283 M HA 0.203 4.683 4.480 -0.000 0.000 0.350 283 M C -0.911 175.575 176.300 0.311 0.000 1.274 283 M CA -0.549 54.572 55.300 -0.298 0.000 1.252 283 M CB -0.106 31.929 32.600 -0.942 0.000 1.297 283 M HN 0.848 nan 8.290 nan 0.000 0.438 284 D N 0.735 121.457 120.400 0.536 0.000 2.341 284 D HA -0.117 4.523 4.640 -0.000 0.000 0.235 284 D C 0.819 177.362 176.300 0.404 0.000 1.265 284 D CA 0.047 54.399 54.000 0.587 0.000 0.888 284 D CB 0.908 42.036 40.800 0.546 0.000 1.192 284 D HN 0.606 nan 8.370 nan 0.000 0.462 285 Q N -0.804 119.167 119.800 0.285 0.000 2.049 285 Q HA -0.158 4.181 4.340 -0.000 0.000 0.198 285 Q C 2.009 178.103 176.000 0.156 0.000 0.971 285 Q CA 1.904 57.828 55.803 0.201 0.000 0.833 285 Q CB -0.251 28.573 28.738 0.144 0.000 0.896 285 Q HN 0.797 nan 8.270 nan 0.000 0.434 286 T N -0.588 114.045 114.554 0.132 0.000 2.652 286 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 286 T C 1.890 176.609 174.700 0.032 0.000 1.039 286 T CA 1.066 63.209 62.100 0.073 0.000 1.153 286 T CB -0.224 68.680 68.868 0.060 0.000 0.863 286 T HN 0.021 nan 8.240 nan 0.000 0.428 287 K N 0.657 121.088 120.400 0.052 0.000 2.103 287 K HA 0.135 4.455 4.320 -0.000 0.000 0.204 287 K C -0.085 176.228 176.600 -0.478 0.000 1.052 287 K CA 0.646 56.843 56.287 -0.149 0.000 0.945 287 K CB -0.221 32.284 32.500 0.009 0.000 0.722 287 K HN 0.520 nan 8.250 nan 0.000 0.443 288 F N 1.157 121.136 119.950 0.049 0.000 2.451 288 F HA 0.292 4.818 4.527 -0.000 0.000 0.367 288 F C -2.146 173.675 175.800 0.034 0.000 1.100 288 F CA -2.425 55.585 58.000 0.017 0.000 1.171 288 F CB 1.488 40.488 39.000 0.000 0.000 1.405 288 F HN -0.184 nan 8.300 nan 0.000 0.482 289 P HA 0.057 nan 4.420 nan 0.000 0.237 289 P C -0.253 177.114 177.300 0.112 0.000 1.701 289 P CA 0.600 63.748 63.100 0.080 0.000 0.955 289 P CB -0.354 31.354 31.700 0.015 0.000 1.937 290 I N -0.342 120.331 120.570 0.172 0.000 2.325 290 I HA 0.056 4.226 4.170 -0.000 0.000 0.291 290 I C 1.869 178.072 176.117 0.143 0.000 1.019 290 I CA -0.428 60.994 61.300 0.204 0.000 1.302 290 I CB 1.706 39.849 38.000 0.239 0.000 1.401 290 I HN -0.064 nan 8.210 nan 0.000 0.485 291 V N 6.055 126.042 119.914 0.122 0.000 2.282 291 V HA -0.244 3.876 4.120 -0.000 0.000 0.249 291 V C 1.207 177.347 176.094 0.076 0.000 1.057 291 V CA 1.979 64.330 62.300 0.085 0.000 1.032 291 V CB -0.302 31.562 31.823 0.067 0.000 0.645 291 V HN 0.944 nan 8.190 nan 0.000 0.447 292 N N 0.113 118.856 118.700 0.072 0.000 2.470 292 N HA 0.334 5.074 4.740 -0.000 0.000 0.268 292 N C 0.166 175.725 175.510 0.081 0.000 1.136 292 N CA 0.741 53.829 53.050 0.063 0.000 0.961 292 N CB 1.329 39.843 38.487 0.044 0.000 1.067 292 N HN 0.376 nan 8.380 nan 0.000 0.468 293 A N 3.503 126.367 122.820 0.072 0.000 2.390 293 A HA 0.171 4.490 4.320 -0.000 0.000 0.232 293 A C 0.825 178.450 177.584 0.068 0.000 1.233 293 A CA -0.069 52.015 52.037 0.077 0.000 0.907 293 A CB 0.080 19.120 19.000 0.066 0.000 0.967 293 A HN 0.686 nan 8.150 nan 0.000 0.512 294 E N -0.334 119.904 120.200 0.063 0.000 2.451 294 E HA 0.119 4.469 4.350 -0.000 0.000 0.194 294 E C -0.606 176.044 176.600 0.082 0.000 1.027 294 E CA -0.161 56.272 56.400 0.054 0.000 0.914 294 E CB 0.309 30.032 29.700 0.038 0.000 1.054 294 E HN 0.445 nan 8.360 nan 0.000 0.461 295 L N 1.856 123.146 121.223 0.112 0.000 2.326 295 L HA 0.171 4.511 4.340 -0.000 0.000 0.278 295 L C -0.048 176.964 176.870 0.237 0.000 1.092 295 L CA -0.255 54.679 54.840 0.157 0.000 0.810 295 L CB 1.140 43.289 42.059 0.149 0.000 1.153 295 L HN -0.139 nan 8.230 nan 0.000 0.439 296 S N 3.950 119.816 115.700 0.276 0.000 2.532 296 S HA 0.837 5.307 4.470 -0.000 0.000 0.301 296 S C -0.564 174.294 174.600 0.430 0.000 1.083 296 S CA -0.726 57.664 58.200 0.317 0.000 1.025 296 S CB 1.446 64.759 63.200 0.189 0.000 1.056 296 S HN 0.489 nan 8.310 nan 0.000 0.494 297 F N -0.485 119.503 119.950 0.064 0.000 2.618 297 F HA 0.849 5.376 4.527 -0.000 0.000 0.332 297 F C -0.905 174.689 175.800 -0.343 0.000 1.061 297 F CA -2.403 55.575 58.000 -0.036 0.000 0.974 297 F CB 0.427 39.429 39.000 0.004 0.000 1.310 297 F HN 0.567 nan 8.300 nan 0.000 0.491 298 F N 1.132 120.661 119.950 -0.702 0.000 2.404 298 F HA 0.815 5.342 4.527 -0.000 0.000 0.339 298 F C 0.043 175.312 175.800 -0.884 0.000 1.105 298 F CA -0.934 56.366 58.000 -1.167 0.000 1.087 298 F CB 1.176 39.142 39.000 -1.723 0.000 1.143 298 F HN 0.813 nan 8.300 nan 0.000 0.491 299 G N 3.486 111.156 108.800 -1.884 0.000 2.735 299 G HA2 0.268 4.228 3.960 -0.000 0.000 0.301 299 G HA3 0.268 4.228 3.960 -0.000 0.000 0.301 299 G C -0.741 173.039 174.900 -1.867 0.000 1.279 299 G CA -0.244 43.717 45.100 -1.899 0.000 1.019 299 G HN 0.760 nan 8.290 nan 0.000 0.497 300 H N -0.544 117.778 119.070 -1.248 0.000 2.570 300 H HA 0.372 4.928 4.556 -0.000 0.000 0.268 300 H C 1.904 177.087 175.328 -0.242 0.000 1.175 300 H CA 1.769 57.422 56.048 -0.659 0.000 1.686 300 H CB 0.609 30.114 29.762 -0.427 0.000 1.456 300 H HN 1.141 nan 8.280 nan 0.000 0.592 301 A N 0.282 123.222 122.820 0.200 0.000 3.526 301 A HA -0.230 4.090 4.320 -0.000 0.000 0.254 301 A C 0.583 178.336 177.584 0.281 0.000 1.109 301 A CA 1.216 53.377 52.037 0.207 0.000 1.395 301 A CB -2.998 16.089 19.000 0.145 0.000 1.057 301 A HN 0.778 nan 8.150 nan 0.000 0.901 302 H N -0.346 118.899 119.070 0.292 0.000 2.652 302 H HA 0.476 5.032 4.556 -0.000 0.000 0.298 302 H C 0.152 175.423 175.328 -0.094 0.000 1.076 302 H CA -0.494 55.579 56.048 0.041 0.000 1.360 302 H CB 0.584 30.345 29.762 -0.002 0.000 1.421 302 H HN 0.450 nan 8.280 nan 0.000 0.464 303 L N 6.726 127.909 121.223 -0.066 0.000 2.650 303 L HA 0.250 4.590 4.340 -0.000 0.000 0.239 303 L C 0.208 176.879 176.870 -0.332 0.000 1.412 303 L CA 0.717 55.454 54.840 -0.173 0.000 1.219 303 L CB -0.811 41.230 42.059 -0.030 0.000 1.534 303 L HN 0.873 nan 8.230 nan 0.000 0.430 304 G N -0.940 107.426 108.800 -0.724 0.000 2.510 304 G HA2 0.394 4.354 3.960 -0.000 0.000 0.277 304 G HA3 0.394 4.354 3.960 -0.000 0.000 0.277 304 G C -1.162 173.525 174.900 -0.355 0.000 1.223 304 G CA 0.011 44.797 45.100 -0.523 0.000 0.887 304 G HN 0.064 nan 8.290 nan 0.000 0.485 305 T N -0.821 113.670 114.554 -0.106 0.000 3.011 305 T HA 0.696 5.046 4.350 -0.000 0.000 0.303 305 T C 0.155 174.881 174.700 0.043 0.000 0.997 305 T CA 1.409 63.549 62.100 0.068 0.000 1.007 305 T CB 0.480 69.495 68.868 0.246 0.000 1.017 305 T HN 2.601 nan 8.240 nan 0.000 0.443 306 G N 3.873 112.750 108.800 0.128 0.000 2.685 306 G HA2 -0.062 3.897 3.960 -0.000 0.000 0.387 306 G HA3 -0.062 3.897 3.960 -0.000 0.000 0.387 306 G C -0.581 174.339 174.900 0.034 0.000 1.324 306 G CA -0.327 44.809 45.100 0.060 0.000 0.878 306 G HN 0.937 nan 8.290 nan 0.000 0.527 307 D N 1.022 121.401 120.400 -0.035 0.000 2.586 307 D HA 0.110 4.749 4.640 -0.000 0.000 0.234 307 D C -0.643 175.463 176.300 -0.323 0.000 1.132 307 D CA -0.171 53.771 54.000 -0.097 0.000 0.860 307 D CB 1.035 41.843 40.800 0.014 0.000 1.159 307 D HN 0.197 nan 8.370 nan 0.000 0.490 308 P HA -0.009 nan 4.420 nan 0.000 0.258 308 P C -0.338 176.364 177.300 -0.997 0.000 1.403 308 P CA 0.369 62.807 63.100 -1.103 0.000 0.826 308 P CB -0.435 30.186 31.700 -1.798 0.000 1.414 309 Y N -1.548 118.696 120.300 -0.094 0.000 2.610 309 Y HA 0.182 4.732 4.550 -0.000 0.000 0.254 309 Y C 1.251 177.192 175.900 0.069 0.000 1.110 309 Y CA -0.219 57.887 58.100 0.010 0.000 1.238 309 Y CB 0.519 38.997 38.460 0.031 0.000 1.322 309 Y HN -0.039 nan 8.280 nan 0.000 0.547 310 T N 0.458 114.949 114.554 -0.104 0.000 3.514 310 T HA 0.300 4.650 4.350 -0.000 0.000 0.259 310 T C -3.160 171.082 174.700 -0.764 0.000 1.466 310 T CA -2.298 59.427 62.100 -0.625 0.000 1.562 310 T CB 0.354 68.979 68.868 -0.406 0.000 0.924 310 T HN -0.159 nan 8.240 nan 0.000 0.678 311 P HA 0.353 nan 4.420 nan 0.000 0.273 311 P C 1.136 178.313 177.300 -0.205 0.000 1.319 311 P CA 0.766 63.677 63.100 -0.315 0.000 0.885 311 P CB 0.389 32.019 31.700 -0.117 0.000 1.015 312 G N 3.957 112.616 108.800 -0.235 0.000 2.358 312 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.224 312 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.224 312 G C -0.167 174.813 174.900 0.134 0.000 1.073 312 G CA 0.115 45.265 45.100 0.084 0.000 0.635 312 G HN 0.575 nan 8.290 nan 0.000 0.509 313 F N 0.515 120.456 119.950 -0.016 0.000 2.508 313 F HA 0.868 5.395 4.527 -0.000 0.000 0.325 313 F C -2.609 173.126 175.800 -0.110 0.000 1.090 313 F CA -3.374 54.591 58.000 -0.058 0.000 0.945 313 F CB 1.124 40.087 39.000 -0.062 0.000 1.156 313 F HN -0.045 nan 8.300 nan 0.000 0.463 314 P HA 0.129 nan 4.420 nan 0.000 0.271 314 P C -0.553 176.539 177.300 -0.347 0.000 1.233 314 P CA -0.139 62.837 63.100 -0.206 0.000 0.789 314 P CB 0.788 32.410 31.700 -0.129 0.000 0.951 315 S N 0.183 115.737 115.700 -0.245 0.000 2.707 315 S HA 0.628 5.098 4.470 -0.000 0.000 0.276 315 S C -0.274 174.150 174.600 -0.293 0.000 1.179 315 S CA -0.120 58.017 58.200 -0.104 0.000 0.992 315 S CB 0.272 63.558 63.200 0.142 0.000 1.030 315 S HN 0.269 nan 8.310 nan 0.000 0.554 316 F N -0.141 119.945 119.950 0.228 0.000 3.336 316 F HA 0.486 5.012 4.527 -0.000 0.000 0.214 316 F C 1.011 176.899 175.800 0.146 0.000 1.614 316 F CA -1.168 56.935 58.000 0.173 0.000 0.939 316 F CB -0.254 38.819 39.000 0.122 0.000 1.865 316 F HN 0.504 nan 8.300 nan 0.000 0.306 317 N N -1.040 117.846 118.700 0.310 0.000 2.495 317 N HA 0.069 4.809 4.740 -0.000 0.000 0.294 317 N C 0.503 176.135 175.510 0.204 0.000 1.276 317 N CA -0.389 52.716 53.050 0.093 0.000 0.973 317 N CB 0.646 39.134 38.487 0.002 0.000 1.143 317 N HN 0.455 nan 8.380 nan 0.000 0.589 318 H N -0.046 119.058 119.070 0.057 0.000 2.516 318 H HA -0.011 4.545 4.556 -0.000 0.000 0.284 318 H C 1.673 177.014 175.328 0.022 0.000 0.999 318 H CA 1.710 57.792 56.048 0.057 0.000 1.303 318 H CB -0.214 29.569 29.762 0.034 0.000 1.452 318 H HN 0.710 nan 8.280 nan 0.000 0.530 319 T N -1.300 113.406 114.554 0.254 0.000 2.778 319 T HA -0.177 4.173 4.350 -0.000 0.000 0.269 319 T C 1.146 175.895 174.700 0.081 0.000 1.050 319 T CA 1.039 63.231 62.100 0.153 0.000 1.137 319 T CB -0.054 68.847 68.868 0.055 0.000 0.860 319 T HN 0.371 nan 8.240 nan 0.000 0.468 320 Q N -0.517 119.321 119.800 0.065 0.000 2.312 320 Q HA 0.442 4.782 4.340 -0.000 0.000 0.263 320 Q C -1.191 174.858 176.000 0.082 0.000 0.995 320 Q CA -1.150 54.661 55.803 0.014 0.000 0.853 320 Q CB 0.615 29.321 28.738 -0.053 0.000 1.300 320 Q HN 0.313 nan 8.270 nan 0.000 0.448 321 F N 4.831 124.685 119.950 -0.160 0.000 2.457 321 F HA -0.140 4.387 4.527 -0.000 0.000 0.290 321 F C -2.249 173.497 175.800 -0.089 0.000 1.058 321 F CA 0.462 58.397 58.000 -0.108 0.000 1.051 321 F CB 0.204 39.147 39.000 -0.095 0.000 1.331 321 F HN 0.540 nan 8.300 nan 0.000 0.814 322 P HA 0.310 nan 4.420 nan 0.000 0.279 322 P C -2.244 174.743 177.300 -0.522 0.000 1.819 322 P CA -0.880 61.907 63.100 -0.521 0.000 1.258 322 P CB 0.376 31.705 31.700 -0.619 0.000 1.656 323 P HA -0.014 nan 4.420 nan 0.000 0.267 323 P C 1.440 178.473 177.300 -0.444 0.000 1.195 323 P CA 0.518 63.371 63.100 -0.412 0.000 0.773 323 P CB 0.572 32.047 31.700 -0.374 0.000 0.837 324 S N 1.145 116.681 115.700 -0.274 0.000 2.326 324 S HA -0.028 4.442 4.470 -0.000 0.000 0.211 324 S C 0.951 175.446 174.600 -0.175 0.000 1.031 324 S CA 1.027 59.089 58.200 -0.230 0.000 0.985 324 S CB -0.107 63.044 63.200 -0.082 0.000 0.961 324 S HN 0.665 nan 8.310 nan 0.000 0.436 325 R N -1.699 118.859 120.500 0.095 0.000 4.463 325 R HA 0.250 4.590 4.340 -0.000 0.000 0.244 325 R C 0.215 176.643 176.300 0.213 0.000 0.918 325 R CA 0.518 56.864 56.100 0.410 0.000 0.668 325 R CB -0.794 29.750 30.300 0.406 0.000 1.969 325 R HN 0.375 nan 8.270 nan 0.000 0.368 326 S N -0.741 115.053 115.700 0.158 0.000 3.011 326 S HA -0.146 4.324 4.470 -0.000 0.000 0.278 326 S C 0.026 174.669 174.600 0.072 0.000 1.300 326 S CA 1.432 59.688 58.200 0.094 0.000 1.248 326 S CB -1.275 61.973 63.200 0.080 0.000 1.517 326 S HN 0.587 nan 8.310 nan 0.000 0.685 327 S N 1.106 116.847 115.700 0.069 0.000 3.811 327 S HA 0.463 4.933 4.470 -0.000 0.000 0.205 327 S C 1.217 175.821 174.600 0.007 0.000 1.445 327 S CA 0.404 58.631 58.200 0.046 0.000 1.097 327 S CB 0.030 63.273 63.200 0.071 0.000 1.350 327 S HN 1.416 nan 8.310 nan 0.000 0.471 328 G N 0.649 109.472 108.800 0.039 0.000 2.135 328 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.183 328 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.183 328 G C -0.397 174.564 174.900 0.102 0.000 1.004 328 G CA -0.697 44.448 45.100 0.076 0.000 0.677 328 G HN 0.468 nan 8.290 nan 0.000 0.512 329 L N -0.499 120.754 121.223 0.049 0.000 2.334 329 L HA 0.623 4.963 4.340 -0.000 0.000 0.276 329 L C -0.366 176.557 176.870 0.088 0.000 1.014 329 L CA -1.990 52.887 54.840 0.061 0.000 0.815 329 L CB 1.292 43.363 42.059 0.019 0.000 1.268 329 L HN -0.113 nan 8.230 nan 0.000 0.428 330 P HA -0.337 nan 4.420 nan 0.000 0.217 330 P C 0.522 177.870 177.300 0.080 0.000 0.937 330 P CA 2.202 65.358 63.100 0.094 0.000 1.028 330 P CB -0.009 31.756 31.700 0.109 0.000 0.735 331 N N -4.998 113.753 118.700 0.085 0.000 2.967 331 N HA -0.126 4.614 4.740 -0.000 0.000 0.241 331 N C -1.187 174.362 175.510 0.065 0.000 0.983 331 N CA 0.583 53.676 53.050 0.072 0.000 0.918 331 N CB -1.267 37.258 38.487 0.063 0.000 1.109 331 N HN 0.029 nan 8.380 nan 0.000 0.567 332 I N 0.844 121.456 120.570 0.070 0.000 2.571 332 I HA 0.377 4.547 4.170 -0.000 0.000 0.289 332 I C -2.329 173.829 176.117 0.069 0.000 1.115 332 I CA -1.969 59.369 61.300 0.064 0.000 1.045 332 I CB 1.804 39.839 38.000 0.060 0.000 1.238 332 I HN -0.095 nan 8.210 nan 0.000 0.424 333 P HA 0.096 nan 4.420 nan 0.000 0.264 333 P C -0.668 176.670 177.300 0.063 0.000 1.193 333 P CA 0.141 63.279 63.100 0.064 0.000 0.763 333 P CB 1.059 32.792 31.700 0.055 0.000 0.810 334 V N 4.311 124.263 119.914 0.064 0.000 2.531 334 V HA 0.382 4.502 4.120 -0.000 0.000 0.301 334 V C -0.020 176.096 176.094 0.037 0.000 1.034 334 V CA -0.389 61.948 62.300 0.061 0.000 0.865 334 V CB 1.542 33.409 31.823 0.074 0.000 0.995 334 V HN 0.487 nan 8.190 nan 0.000 0.424 335 Q N 2.408 122.225 119.800 0.029 0.000 2.323 335 Q HA 0.500 4.839 4.340 -0.000 0.000 0.271 335 Q C -0.504 175.468 176.000 -0.047 0.000 1.048 335 Q CA -0.167 55.631 55.803 -0.007 0.000 0.792 335 Q CB 2.174 30.917 28.738 0.008 0.000 1.280 335 Q HN 0.785 nan 8.270 nan 0.000 0.441 336 T N 3.469 117.924 114.554 -0.164 0.000 2.897 336 T HA 0.605 4.955 4.350 -0.000 0.000 0.294 336 T C -0.610 173.952 174.700 -0.230 0.000 1.004 336 T CA -0.092 61.799 62.100 -0.348 0.000 1.106 336 T CB 0.077 68.448 68.868 -0.829 0.000 0.949 336 T HN 0.498 nan 8.240 nan 0.000 0.520 337 I N 3.013 123.516 120.570 -0.112 0.000 2.689 337 I HA 0.388 4.557 4.170 -0.000 0.000 0.299 337 I C 0.098 176.298 176.117 0.138 0.000 1.059 337 I CA -0.324 60.981 61.300 0.009 0.000 1.055 337 I CB 2.201 40.220 38.000 0.032 0.000 1.243 337 I HN 0.597 nan 8.210 nan 0.000 0.425 338 S N 4.489 120.243 115.700 0.090 0.000 2.565 338 S HA 0.233 4.703 4.470 -0.000 0.000 0.276 338 S C 1.503 176.150 174.600 0.079 0.000 1.326 338 S CA -0.121 58.160 58.200 0.136 0.000 1.045 338 S CB 0.509 63.754 63.200 0.074 0.000 0.918 338 S HN 0.674 nan 8.310 nan 0.000 0.505 339 R N 3.518 124.087 120.500 0.115 0.000 2.113 339 R HA -0.209 4.131 4.340 -0.000 0.000 0.244 339 R C 2.222 178.488 176.300 -0.057 0.000 1.142 339 R CA 2.149 58.267 56.100 0.031 0.000 0.953 339 R CB -0.953 29.406 30.300 0.098 0.000 0.860 339 R HN 0.813 nan 8.270 nan 0.000 0.438 340 A N 0.527 123.339 122.820 -0.014 0.000 1.892 340 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 340 A C 2.420 179.950 177.584 -0.089 0.000 1.188 340 A CA 2.132 54.151 52.037 -0.030 0.000 0.631 340 A CB -1.087 17.906 19.000 -0.012 0.000 0.822 340 A HN 0.607 nan 8.150 nan 0.000 0.447 341 A N -0.415 122.338 122.820 -0.112 0.000 1.902 341 A HA 0.154 4.474 4.320 -0.000 0.000 0.217 341 A C 2.523 179.950 177.584 -0.260 0.000 1.181 341 A CA 2.203 54.146 52.037 -0.158 0.000 0.623 341 A CB -1.056 17.868 19.000 -0.127 0.000 0.818 341 A HN 1.151 nan 8.150 nan 0.000 0.443 342 A N -0.110 122.489 122.820 -0.369 0.000 1.883 342 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 342 A C 1.909 179.008 177.584 -0.809 0.000 1.186 342 A CA 1.757 53.318 52.037 -0.793 0.000 0.624 342 A CB -0.540 17.802 19.000 -1.096 0.000 0.822 342 A HN 0.508 nan 8.150 nan 0.000 0.444 343 E N 0.282 120.269 120.200 -0.355 0.000 2.068 343 E HA -0.276 4.074 4.350 -0.000 0.000 0.207 343 E C 1.947 178.497 176.600 -0.083 0.000 1.032 343 E CA 1.958 58.304 56.400 -0.090 0.000 0.839 343 E CB -0.479 29.214 29.700 -0.012 0.000 0.758 343 E HN 0.668 nan 8.360 nan 0.000 0.457 344 K N 0.360 120.706 120.400 -0.090 0.000 2.063 344 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 344 K C 2.247 178.810 176.600 -0.062 0.000 1.048 344 K CA 0.854 57.131 56.287 -0.018 0.000 0.928 344 K CB -0.192 32.336 32.500 0.047 0.000 0.713 344 K HN 0.016 nan 8.250 nan 0.000 0.442 345 L N 0.109 121.208 121.223 -0.208 0.000 1.970 345 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 345 L C 2.230 179.054 176.870 -0.077 0.000 1.071 345 L CA 1.902 56.622 54.840 -0.200 0.000 0.751 345 L CB -1.154 40.678 42.059 -0.378 0.000 0.889 345 L HN 0.237 nan 8.230 nan 0.000 0.432 346 F N -0.029 119.880 119.950 -0.068 0.000 2.192 346 F HA -0.211 4.316 4.527 -0.000 0.000 0.301 346 F C 2.487 178.273 175.800 -0.024 0.000 1.079 346 F CA 0.556 58.520 58.000 -0.059 0.000 1.303 346 F CB -0.767 38.175 39.000 -0.098 0.000 1.024 346 F HN 0.226 nan 8.300 nan 0.000 0.494 347 G N -0.084 108.806 108.800 0.151 0.000 2.450 347 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.220 347 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.220 347 G C 0.841 175.786 174.900 0.075 0.000 1.130 347 G CA 0.719 45.875 45.100 0.094 0.000 0.760 347 G HN 0.419 nan 8.290 nan 0.000 0.557 348 N N 0.256 118.999 118.700 0.072 0.000 2.546 348 N HA 0.353 5.092 4.740 -0.000 0.000 0.286 348 N C -0.669 174.887 175.510 0.076 0.000 1.259 348 N CA -0.122 52.964 53.050 0.060 0.000 0.939 348 N CB 0.321 38.835 38.487 0.046 0.000 1.243 348 N HN 0.249 nan 8.380 nan 0.000 0.511 349 M N -0.169 119.488 119.600 0.096 0.000 2.326 349 M HA 0.182 4.662 4.480 -0.000 0.000 0.292 349 M C 0.786 177.133 176.300 0.078 0.000 1.081 349 M CA -0.461 54.902 55.300 0.105 0.000 0.919 349 M CB 3.034 35.733 32.600 0.165 0.000 1.634 349 M HN 0.003 nan 8.290 nan 0.000 0.451 350 E N 2.291 122.531 120.200 0.066 0.000 2.033 350 E HA 0.056 4.406 4.350 -0.000 0.000 0.189 350 E C 1.015 177.638 176.600 0.038 0.000 0.979 350 E CA 0.702 57.129 56.400 0.046 0.000 0.802 350 E CB 0.177 29.904 29.700 0.044 0.000 0.763 350 E HN 0.920 nan 8.360 nan 0.000 0.449 351 G N 0.562 109.393 108.800 0.052 0.000 2.825 351 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.241 351 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.241 351 G C -0.661 174.241 174.900 0.004 0.000 1.239 351 G CA 0.125 45.247 45.100 0.037 0.000 0.859 351 G HN 0.286 nan 8.290 nan 0.000 0.598 352 D N -1.454 118.927 120.400 -0.031 0.000 2.629 352 D HA 0.285 4.925 4.640 -0.000 0.000 0.250 352 D C -0.235 175.998 176.300 -0.112 0.000 1.126 352 D CA -0.562 53.396 54.000 -0.069 0.000 0.852 352 D CB 1.244 41.999 40.800 -0.075 0.000 1.335 352 D HN 0.398 nan 8.370 nan 0.000 0.518 353 c N 5.105 123.631 118.600 -0.124 0.000 2.590 353 c HA 0.235 4.805 4.570 -0.000 0.000 0.411 353 c C -1.743 172.185 174.090 -0.269 0.000 1.420 353 c CA -0.728 55.505 56.329 -0.160 0.000 1.643 353 c CB -0.593 41.860 42.510 -0.096 0.000 2.528 353 c HN 0.555 nan 8.230 nan 0.000 0.606 354 P HA 0.124 nan 4.420 nan 0.000 0.272 354 P C 0.358 177.421 177.300 -0.394 0.000 1.240 354 P CA 0.041 62.800 63.100 -0.568 0.000 0.791 354 P CB 0.581 31.671 31.700 -1.016 0.000 0.978 355 S N -0.487 115.046 115.700 -0.278 0.000 2.503 355 S HA -0.087 4.383 4.470 -0.000 0.000 0.217 355 S C 1.520 176.057 174.600 -0.104 0.000 0.999 355 S CA 0.417 58.531 58.200 -0.145 0.000 0.914 355 S CB -0.718 62.417 63.200 -0.109 0.000 0.782 355 S HN 0.446 nan 8.310 nan 0.000 0.520 356 D N 0.844 121.132 120.400 -0.188 0.000 2.116 356 D HA -0.142 4.498 4.640 -0.000 0.000 0.193 356 D C -0.044 176.357 176.300 0.169 0.000 0.998 356 D CA 0.726 54.690 54.000 -0.061 0.000 0.836 356 D CB -0.159 40.518 40.800 -0.204 0.000 0.951 356 D HN 0.564 nan 8.370 nan 0.000 0.449 357 W N 1.745 122.915 121.300 -0.216 0.000 2.591 357 W HA 0.053 4.713 4.660 -0.000 0.000 0.330 357 W C 0.629 177.036 176.519 -0.187 0.000 1.435 357 W CA -1.052 56.128 57.345 -0.275 0.000 1.350 357 W CB 0.140 29.427 29.460 -0.288 0.000 1.434 357 W HN -0.161 nan 8.180 nan 0.000 0.553 358 K N 3.318 123.760 120.400 0.071 0.000 2.360 358 K HA 0.052 4.372 4.320 -0.000 0.000 0.225 358 K C 0.372 176.976 176.600 0.007 0.000 1.246 358 K CA 0.276 56.586 56.287 0.038 0.000 1.198 358 K CB -0.220 32.311 32.500 0.051 0.000 1.348 358 K HN 0.322 nan 8.250 nan 0.000 0.232 359 T N -0.766 113.805 114.554 0.028 0.000 2.572 359 T HA 0.331 4.681 4.350 -0.000 0.000 0.244 359 T C -0.941 173.779 174.700 0.033 0.000 0.860 359 T CA -0.729 61.387 62.100 0.027 0.000 1.125 359 T CB 1.106 70.007 68.868 0.055 0.000 1.491 359 T HN 0.172 nan 8.240 nan 0.000 0.532 360 D N 0.027 120.451 120.400 0.040 0.000 2.661 360 D HA 0.460 5.100 4.640 -0.000 0.000 0.228 360 D C -0.292 176.014 176.300 0.010 0.000 1.210 360 D CA -0.252 53.762 54.000 0.023 0.000 0.826 360 D CB 1.805 42.624 40.800 0.031 0.000 1.542 360 D HN 0.622 nan 8.370 nan 0.000 0.447 361 S N 0.822 116.515 115.700 -0.010 0.000 2.555 361 S HA 0.035 4.505 4.470 -0.000 0.000 0.270 361 S C 0.655 175.233 174.600 -0.037 0.000 1.365 361 S CA 1.241 59.423 58.200 -0.031 0.000 1.009 361 S CB 0.204 63.392 63.200 -0.021 0.000 0.818 361 S HN 0.781 nan 8.310 nan 0.000 0.504 362 T N -1.763 112.752 114.554 -0.065 0.000 8.460 362 T HA -0.209 4.141 4.350 -0.000 0.000 0.312 362 T C 0.636 175.206 174.700 -0.217 0.000 2.053 362 T CA 0.649 62.710 62.100 -0.064 0.000 3.457 362 T CB -2.457 66.417 68.868 0.010 0.000 1.500 362 T HN 1.736 nan 8.240 nan 0.000 0.559 363 c N 4.593 122.905 118.600 -0.480 0.000 2.520 363 c HA 0.897 5.466 4.570 -0.000 0.000 0.376 363 c C 0.996 174.732 174.090 -0.591 0.000 1.268 363 c CA -1.027 54.587 56.329 -1.191 0.000 2.414 363 c CB 0.501 42.057 42.510 -1.589 0.000 2.521 363 c HN 0.520 nan 8.230 nan 0.000 0.618 364 R N 1.354 121.534 120.500 -0.533 0.000 3.024 364 R HA 0.555 4.894 4.340 -0.000 0.000 0.224 364 R C 0.213 176.538 176.300 0.041 0.000 1.490 364 R CA -0.862 55.173 56.100 -0.107 0.000 1.057 364 R CB 0.306 30.633 30.300 0.044 0.000 1.723 364 R HN 0.712 nan 8.270 nan 0.000 0.520 365 M N -0.639 119.033 119.600 0.121 0.000 2.669 365 M HA 0.248 4.728 4.480 -0.000 0.000 0.248 365 M C -0.471 175.962 176.300 0.222 0.000 1.382 365 M CA 0.594 56.018 55.300 0.207 0.000 1.158 365 M CB 1.034 33.710 32.600 0.128 0.000 1.371 365 M HN 0.192 nan 8.290 nan 0.000 0.540 366 V N -0.098 119.915 119.914 0.167 0.000 2.971 366 V HA 0.447 4.567 4.120 -0.000 0.000 0.309 366 V C -0.242 175.930 176.094 0.130 0.000 1.130 366 V CA -1.211 61.180 62.300 0.151 0.000 0.964 366 V CB 1.855 33.752 31.823 0.122 0.000 1.029 366 V HN 0.406 nan 8.190 nan 0.000 0.427 367 T N 0.397 115.022 114.554 0.120 0.000 2.900 367 T HA 0.258 4.608 4.350 -0.000 0.000 0.307 367 T C 0.422 175.168 174.700 0.077 0.000 1.065 367 T CA -0.097 62.061 62.100 0.098 0.000 1.105 367 T CB 0.667 69.584 68.868 0.081 0.000 0.979 367 T HN 1.051 nan 8.240 nan 0.000 0.544 368 S N 1.757 117.496 115.700 0.066 0.000 2.498 368 S HA 0.064 4.534 4.470 -0.000 0.000 0.281 368 S C 1.220 175.848 174.600 0.047 0.000 1.265 368 S CA -0.702 57.530 58.200 0.052 0.000 1.071 368 S CB 0.801 64.028 63.200 0.044 0.000 0.894 368 S HN 0.833 nan 8.310 nan 0.000 0.491 369 E N 3.651 123.878 120.200 0.045 0.000 2.172 369 E HA -0.340 4.010 4.350 -0.000 0.000 0.213 369 E C 2.057 178.678 176.600 0.034 0.000 1.051 369 E CA 2.307 58.730 56.400 0.040 0.000 0.860 369 E CB -0.798 28.924 29.700 0.037 0.000 0.755 369 E HN 0.969 nan 8.360 nan 0.000 0.462 370 S N 0.242 115.961 115.700 0.031 0.000 2.421 370 S HA -0.262 4.208 4.470 -0.000 0.000 0.239 370 S C 0.688 175.304 174.600 0.027 0.000 1.054 370 S CA 1.833 60.049 58.200 0.026 0.000 1.035 370 S CB -0.370 62.845 63.200 0.024 0.000 0.840 370 S HN 0.313 nan 8.310 nan 0.000 0.475 371 K N 0.177 120.596 120.400 0.032 0.000 2.607 371 K HA 0.630 4.950 4.320 -0.000 0.000 0.287 371 K C -1.172 175.450 176.600 0.037 0.000 0.996 371 K CA -0.683 55.623 56.287 0.032 0.000 0.876 371 K CB 0.339 32.856 32.500 0.029 0.000 1.496 371 K HN 0.356 nan 8.250 nan 0.000 0.415 372 N N -1.094 117.628 118.700 0.036 0.000 3.002 372 N HA 0.724 5.464 4.740 -0.000 0.000 0.331 372 N C -1.341 174.191 175.510 0.036 0.000 1.384 372 N CA -0.979 52.094 53.050 0.039 0.000 0.780 372 N CB 1.347 39.857 38.487 0.039 0.000 1.492 372 N HN 0.460 nan 8.380 nan 0.000 0.608 373 V N -1.481 118.455 119.914 0.037 0.000 2.823 373 V HA 0.575 4.695 4.120 -0.000 0.000 0.312 373 V C -1.244 174.868 176.094 0.031 0.000 1.072 373 V CA -0.853 61.466 62.300 0.032 0.000 0.937 373 V CB 1.641 33.482 31.823 0.028 0.000 1.013 373 V HN 0.821 nan 8.190 nan 0.000 0.430 374 K N 4.875 125.291 120.400 0.027 0.000 2.358 374 K HA 0.623 4.943 4.320 -0.000 0.000 0.260 374 K C -1.639 174.975 176.600 0.024 0.000 0.956 374 K CA -0.729 55.574 56.287 0.027 0.000 0.834 374 K CB 1.674 34.189 32.500 0.025 0.000 1.102 374 K HN 0.625 nan 8.250 nan 0.000 0.431 375 L N 3.603 124.843 121.223 0.027 0.000 2.282 375 L HA 0.469 4.809 4.340 -0.000 0.000 0.288 375 L C -0.937 175.949 176.870 0.027 0.000 1.033 375 L CA 0.319 55.175 54.840 0.027 0.000 0.807 375 L CB 1.763 43.842 42.059 0.033 0.000 1.209 375 L HN 0.661 nan 8.230 nan 0.000 0.423 376 T N 5.668 120.237 114.554 0.024 0.000 2.930 376 T HA 0.596 4.946 4.350 -0.000 0.000 0.313 376 T C -1.255 173.460 174.700 0.025 0.000 1.019 376 T CA -0.400 61.714 62.100 0.024 0.000 1.004 376 T CB 0.296 69.175 68.868 0.020 0.000 0.987 376 T HN 0.622 nan 8.240 nan 0.000 0.456 377 V N 3.292 123.226 119.914 0.033 0.000 2.409 377 V HA 0.877 4.997 4.120 -0.000 0.000 0.291 377 V C -0.041 176.075 176.094 0.036 0.000 1.020 377 V CA -0.848 61.475 62.300 0.038 0.000 0.848 377 V CB 1.355 33.210 31.823 0.053 0.000 0.990 377 V HN 0.889 nan 8.190 nan 0.000 0.430 378 S N 3.811 119.526 115.700 0.025 0.000 2.532 378 S HA 0.590 5.060 4.470 -0.000 0.000 0.256 378 S C -0.544 174.061 174.600 0.008 0.000 1.298 378 S CA -0.710 57.501 58.200 0.018 0.000 1.166 378 S CB 0.119 63.324 63.200 0.009 0.000 1.022 378 S HN 0.788 nan 8.310 nan 0.000 0.480 379 N N 1.443 120.158 118.700 0.025 0.000 2.362 379 N HA 0.706 5.446 4.740 -0.000 0.000 0.299 379 N C -0.726 174.799 175.510 0.024 0.000 1.170 379 N CA -0.554 52.504 53.050 0.014 0.000 0.825 379 N CB 2.194 40.724 38.487 0.072 0.000 1.299 379 N HN 0.637 nan 8.380 nan 0.000 0.502 380 V N -1.429 118.490 119.914 0.010 0.000 2.876 380 V HA 0.594 4.714 4.120 -0.000 0.000 0.312 380 V C -0.113 176.001 176.094 0.033 0.000 1.085 380 V CA -1.038 61.275 62.300 0.022 0.000 0.945 380 V CB 1.559 33.385 31.823 0.005 0.000 1.017 380 V HN 0.420 nan 8.190 nan 0.000 0.428 381 L N 2.571 123.823 121.223 0.049 0.000 2.417 381 L HA 0.556 4.896 4.340 -0.000 0.000 0.268 381 L C 0.252 177.152 176.870 0.050 0.000 1.158 381 L CA -0.122 54.756 54.840 0.063 0.000 0.819 381 L CB 0.966 43.075 42.059 0.084 0.000 1.112 381 L HN 0.862 nan 8.230 nan 0.000 0.458 382 K N 3.133 123.563 120.400 0.049 0.000 2.716 382 K HA 0.159 4.479 4.320 -0.000 0.000 0.249 382 K C -0.779 175.857 176.600 0.061 0.000 1.004 382 K CA -0.546 55.766 56.287 0.042 0.000 0.968 382 K CB 1.297 33.807 32.500 0.016 0.000 1.214 382 K HN 0.599 nan 8.250 nan 0.000 0.476 383 E N 6.030 126.296 120.200 0.110 0.000 2.415 383 E HA 0.039 4.389 4.350 -0.000 0.000 0.260 383 E C -0.132 176.551 176.600 0.139 0.000 1.016 383 E CA -0.039 56.460 56.400 0.166 0.000 0.924 383 E CB 0.358 30.200 29.700 0.237 0.000 0.961 383 E HN 0.550 nan 8.360 nan 0.000 0.459 384 I N 0.690 121.321 120.570 0.101 0.000 3.170 384 I HA 0.528 4.697 4.170 -0.000 0.000 0.312 384 I C -0.705 175.373 176.117 -0.064 0.000 1.085 384 I CA -1.278 60.039 61.300 0.028 0.000 0.999 384 I CB 1.869 39.847 38.000 -0.037 0.000 1.233 384 I HN 0.254 nan 8.210 nan 0.000 0.467 385 K N 3.132 123.418 120.400 -0.191 0.000 2.464 385 K HA 0.548 4.867 4.320 -0.000 0.000 0.252 385 K C -0.925 175.534 176.600 -0.234 0.000 1.000 385 K CA -0.566 55.434 56.287 -0.478 0.000 0.951 385 K CB 0.850 32.991 32.500 -0.598 0.000 1.183 385 K HN 0.566 nan 8.250 nan 0.000 0.445 386 I N 3.564 124.051 120.570 -0.138 0.000 2.696 386 I HA 0.077 4.247 4.170 -0.000 0.000 0.284 386 I C -0.140 175.993 176.117 0.025 0.000 1.129 386 I CA -0.497 60.803 61.300 0.002 0.000 1.410 386 I CB 0.536 38.596 38.000 0.102 0.000 1.399 386 I HN 0.384 nan 8.210 nan 0.000 0.579 387 L N 6.450 127.702 121.223 0.049 0.000 2.442 387 L HA 0.400 4.740 4.340 -0.000 0.000 0.261 387 L C -0.725 176.171 176.870 0.044 0.000 1.000 387 L CA -0.212 54.654 54.840 0.043 0.000 0.882 387 L CB 0.480 42.538 42.059 -0.001 0.000 1.207 387 L HN 0.458 nan 8.230 nan 0.000 0.443 388 N N 5.434 124.199 118.700 0.110 0.000 2.488 388 N HA 0.380 5.120 4.740 -0.000 0.000 0.274 388 N C -0.709 174.700 175.510 -0.167 0.000 1.111 388 N CA -0.232 52.801 53.050 -0.030 0.000 0.974 388 N CB 1.839 40.416 38.487 0.150 0.000 1.089 388 N HN 0.349 nan 8.380 nan 0.000 0.465 389 I N 3.437 123.760 120.570 -0.413 0.000 2.362 389 I HA 0.342 4.512 4.170 -0.000 0.000 0.289 389 I C 0.236 175.999 176.117 -0.590 0.000 0.994 389 I CA -0.442 60.645 61.300 -0.355 0.000 1.158 389 I CB 0.107 37.943 38.000 -0.272 0.000 1.315 389 I HN 0.283 nan 8.210 nan 0.000 0.451 390 F N 2.885 122.431 119.950 -0.674 0.000 2.476 390 F HA 0.834 5.360 4.527 -0.000 0.000 0.358 390 F C 0.956 176.398 175.800 -0.595 0.000 1.091 390 F CA -0.505 56.950 58.000 -0.908 0.000 1.131 390 F CB 0.989 38.824 39.000 -1.943 0.000 1.653 390 F HN 0.479 nan 8.300 nan 0.000 0.518 391 G N 0.248 108.796 108.800 -0.421 0.000 2.026 391 G HA2 0.452 4.412 3.960 -0.000 0.000 0.208 391 G HA3 0.452 4.412 3.960 -0.000 0.000 0.208 391 G C -1.768 173.166 174.900 0.056 0.000 1.640 391 G CA -0.427 44.583 45.100 -0.150 0.000 0.946 391 G HN 0.845 nan 8.290 nan 0.000 0.709 392 V N 0.386 120.481 119.914 0.302 0.000 3.234 392 V HA 0.913 5.033 4.120 -0.000 0.000 0.317 392 V C 0.235 176.484 176.094 0.257 0.000 1.147 392 V CA -1.444 61.054 62.300 0.329 0.000 1.037 392 V CB 2.080 34.197 31.823 0.491 0.000 1.148 392 V HN 0.768 nan 8.190 nan 0.000 0.455 393 I N 1.051 121.752 120.570 0.217 0.000 2.714 393 I HA 0.350 4.519 4.170 -0.000 0.000 0.276 393 I C -0.259 175.913 176.117 0.092 0.000 1.196 393 I CA -0.755 60.644 61.300 0.164 0.000 1.068 393 I CB 1.165 39.282 38.000 0.196 0.000 1.291 393 I HN 0.673 nan 8.210 nan 0.000 0.530 394 K N 2.937 123.376 120.400 0.065 0.000 2.578 394 K HA 0.019 4.339 4.320 -0.000 0.000 0.279 394 K C 0.673 177.241 176.600 -0.053 0.000 0.983 394 K CA 0.595 56.866 56.287 -0.027 0.000 1.078 394 K CB 0.369 32.830 32.500 -0.065 0.000 0.852 394 K HN 0.634 nan 8.250 nan 0.000 0.490 395 G N 1.594 110.351 108.800 -0.070 0.000 2.563 395 G HA2 0.299 4.259 3.960 -0.000 0.000 0.283 395 G HA3 0.299 4.259 3.960 -0.000 0.000 0.283 395 G C -0.094 174.848 174.900 0.070 0.000 1.309 395 G CA -0.496 44.647 45.100 0.071 0.000 1.022 395 G HN 0.544 nan 8.290 nan 0.000 0.501 396 F N -1.806 118.100 119.950 -0.073 0.000 2.727 396 F HA 0.243 4.770 4.527 -0.000 0.000 0.302 396 F C 1.914 177.690 175.800 -0.040 0.000 1.107 396 F CA 0.016 57.986 58.000 -0.050 0.000 1.277 396 F CB 0.680 39.655 39.000 -0.042 0.000 1.079 396 F HN 0.170 nan 8.300 nan 0.000 0.594 397 V N -1.692 118.300 119.914 0.131 0.000 3.251 397 V HA 0.138 4.258 4.120 -0.000 0.000 0.239 397 V C 0.409 176.497 176.094 -0.011 0.000 1.332 397 V CA 0.258 62.591 62.300 0.055 0.000 1.224 397 V CB 0.565 32.422 31.823 0.058 0.000 1.004 397 V HN 0.012 nan 8.190 nan 0.000 0.464 398 E N 0.351 120.535 120.200 -0.026 0.000 3.582 398 E HA 0.210 4.560 4.350 -0.000 0.000 0.217 398 E C -2.082 174.438 176.600 -0.134 0.000 1.092 398 E CA -1.423 54.909 56.400 -0.114 0.000 1.365 398 E CB 1.109 30.761 29.700 -0.081 0.000 1.278 398 E HN 0.391 nan 8.360 nan 0.000 0.439 399 P HA -0.204 nan 4.420 nan 0.000 0.219 399 P C 0.357 177.482 177.300 -0.292 0.000 1.145 399 P CA 1.267 64.261 63.100 -0.175 0.000 0.813 399 P CB 0.183 31.809 31.700 -0.123 0.000 0.771 400 D N -2.800 117.475 120.400 -0.207 0.000 2.388 400 D HA 0.049 4.689 4.640 -0.000 0.000 0.221 400 D C 0.048 176.411 176.300 0.107 0.000 1.133 400 D CA 0.222 54.187 54.000 -0.058 0.000 0.831 400 D CB -0.267 40.547 40.800 0.023 0.000 0.962 400 D HN 0.378 nan 8.370 nan 0.000 0.502 401 H N -0.013 119.001 119.070 -0.095 0.000 2.638 401 H HA 0.220 4.776 4.556 -0.000 0.000 0.317 401 H C -0.566 174.813 175.328 0.086 0.000 1.006 401 H CA -0.630 55.528 56.048 0.183 0.000 1.222 401 H CB 0.785 30.696 29.762 0.249 0.000 1.419 401 H HN -0.110 nan 8.280 nan 0.000 0.489 402 Y N 1.366 121.804 120.300 0.230 0.000 2.519 402 Y HA 0.361 4.910 4.550 -0.000 0.000 0.324 402 Y C 0.204 175.818 175.900 -0.478 0.000 1.214 402 Y CA -1.067 57.025 58.100 -0.013 0.000 1.260 402 Y CB 1.179 39.672 38.460 0.054 0.000 1.311 402 Y HN 0.246 nan 8.280 nan 0.000 0.505 403 V N 2.169 121.924 119.914 -0.265 0.000 2.320 403 V HA 0.198 4.317 4.120 -0.000 0.000 0.268 403 V C -0.699 175.270 176.094 -0.208 0.000 1.021 403 V CA -0.942 61.077 62.300 -0.468 0.000 0.813 403 V CB 0.494 32.071 31.823 -0.410 0.000 1.054 403 V HN 0.536 nan 8.190 nan 0.000 0.444 404 V N 4.571 124.474 119.914 -0.018 0.000 2.493 404 V HA 0.080 4.200 4.120 -0.000 0.000 0.292 404 V C 0.348 176.387 176.094 -0.091 0.000 1.016 404 V CA 0.247 62.614 62.300 0.111 0.000 1.097 404 V CB 1.119 33.242 31.823 0.501 0.000 0.947 404 V HN 0.553 nan 8.190 nan 0.000 0.479 405 V N 5.619 125.402 119.914 -0.218 0.000 2.326 405 V HA 0.671 4.791 4.120 -0.000 0.000 0.281 405 V C 0.728 176.720 176.094 -0.170 0.000 1.015 405 V CA -0.076 62.042 62.300 -0.304 0.000 0.823 405 V CB 1.108 32.727 31.823 -0.340 0.000 1.009 405 V HN 0.959 nan 8.190 nan 0.000 0.436 406 G N 3.081 111.798 108.800 -0.138 0.000 2.601 406 G HA2 0.871 4.831 3.960 -0.000 0.000 0.317 406 G HA3 0.871 4.831 3.960 -0.000 0.000 0.317 406 G C -0.705 174.219 174.900 0.040 0.000 1.246 406 G CA -0.387 44.781 45.100 0.113 0.000 1.012 406 G HN 1.263 nan 8.290 nan 0.000 0.494 407 A N -0.208 122.642 122.820 0.050 0.000 2.521 407 A HA 0.518 4.838 4.320 -0.000 0.000 0.298 407 A C -0.443 177.198 177.584 0.095 0.000 1.044 407 A CA -0.520 51.550 52.037 0.054 0.000 0.911 407 A CB 0.781 19.757 19.000 -0.041 0.000 1.376 407 A HN 0.909 nan 8.150 nan 0.000 0.392 408 Q N 1.949 121.866 119.800 0.195 0.000 2.304 408 Q HA 0.193 4.533 4.340 -0.000 0.000 0.301 408 Q C 0.723 176.775 176.000 0.086 0.000 1.063 408 Q CA 0.698 56.617 55.803 0.194 0.000 0.947 408 Q CB 0.499 29.345 28.738 0.180 0.000 1.201 408 Q HN 0.759 nan 8.270 nan 0.000 0.389 409 R N 2.799 123.343 120.500 0.075 0.000 2.344 409 R HA 0.057 4.397 4.340 -0.000 0.000 0.209 409 R C -0.264 176.065 176.300 0.047 0.000 0.886 409 R CA 0.439 56.548 56.100 0.016 0.000 1.040 409 R CB 0.475 30.745 30.300 -0.050 0.000 1.114 409 R HN 0.883 nan 8.270 nan 0.000 0.547 410 D N -0.001 120.460 120.400 0.101 0.000 2.437 410 D HA 0.517 5.157 4.640 -0.000 0.000 0.259 410 D C -0.794 175.591 176.300 0.142 0.000 1.118 410 D CA -0.480 53.592 54.000 0.121 0.000 1.017 410 D CB 1.928 42.827 40.800 0.165 0.000 1.120 410 D HN 0.123 nan 8.370 nan 0.000 0.541 411 A N -0.900 122.009 122.820 0.148 0.000 2.583 411 A HA 0.273 4.593 4.320 -0.000 0.000 0.292 411 A C -0.781 176.902 177.584 0.166 0.000 1.045 411 A CA -0.800 51.338 52.037 0.168 0.000 0.672 411 A CB 0.192 19.280 19.000 0.146 0.000 1.283 411 A HN 0.701 nan 8.150 nan 0.000 0.419 412 W N 1.824 123.090 121.300 -0.057 0.000 2.418 412 W HA 0.314 4.973 4.660 -0.000 0.000 0.319 412 W C 1.470 177.958 176.519 -0.051 0.000 1.183 412 W CA 2.802 60.037 57.345 -0.183 0.000 1.327 412 W CB -0.508 28.748 29.460 -0.340 0.000 1.163 412 W HN 0.991 nan 8.180 nan 0.000 0.479 413 G N 0.006 108.896 108.800 0.150 0.000 2.624 413 G HA2 0.083 4.043 3.960 -0.000 0.000 0.217 413 G HA3 0.083 4.043 3.960 -0.000 0.000 0.217 413 G C -1.773 173.136 174.900 0.014 0.000 1.506 413 G CA 0.284 45.363 45.100 -0.036 0.000 1.072 413 G HN 0.081 nan 8.290 nan 0.000 0.568 414 P HA 0.059 nan 4.420 nan 0.000 0.240 414 P C 1.138 178.501 177.300 0.105 0.000 1.190 414 P CA 1.043 64.183 63.100 0.067 0.000 0.781 414 P CB 0.054 31.798 31.700 0.074 0.000 0.931 415 G N 1.285 110.168 108.800 0.138 0.000 2.385 415 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.284 415 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.284 415 G C 1.138 176.106 174.900 0.113 0.000 0.899 415 G CA 0.384 45.571 45.100 0.145 0.000 1.204 415 G HN 0.491 nan 8.290 nan 0.000 0.486 416 A N -0.119 122.779 122.820 0.130 0.000 1.933 416 A HA 0.283 4.603 4.320 -0.000 0.000 0.218 416 A C 2.692 180.315 177.584 0.064 0.000 1.175 416 A CA 2.206 54.319 52.037 0.126 0.000 0.628 416 A CB -0.403 18.713 19.000 0.192 0.000 0.814 416 A HN 1.719 nan 8.150 nan 0.000 0.444 417 A N -0.114 122.708 122.820 0.003 0.000 1.862 417 A HA 0.061 4.381 4.320 -0.000 0.000 0.211 417 A C 2.025 179.575 177.584 -0.056 0.000 1.220 417 A CA 1.700 53.662 52.037 -0.125 0.000 0.616 417 A CB -0.498 18.232 19.000 -0.450 0.000 0.878 417 A HN 0.444 nan 8.150 nan 0.000 0.453 418 K N -0.335 120.064 120.400 -0.001 0.000 2.127 418 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 418 K C 1.836 178.469 176.600 0.054 0.000 1.047 418 K CA 2.253 58.568 56.287 0.048 0.000 0.927 418 K CB -0.171 32.398 32.500 0.116 0.000 0.716 418 K HN 0.412 nan 8.250 nan 0.000 0.450 419 S N -2.384 113.350 115.700 0.056 0.000 2.653 419 S HA 0.239 4.709 4.470 -0.000 0.000 0.259 419 S C 1.498 176.114 174.600 0.026 0.000 1.076 419 S CA 0.130 58.359 58.200 0.049 0.000 1.051 419 S CB 0.058 63.298 63.200 0.067 0.000 0.994 419 S HN 0.484 nan 8.310 nan 0.000 0.552 420 G N 2.140 110.962 108.800 0.037 0.000 2.575 420 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.215 420 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.215 420 G C 1.391 176.302 174.900 0.018 0.000 1.262 420 G CA 1.391 46.513 45.100 0.037 0.000 0.807 420 G HN 0.393 nan 8.290 nan 0.000 0.567 421 V N 2.031 121.959 119.914 0.023 0.000 2.277 421 V HA -0.215 3.905 4.120 -0.000 0.000 0.253 421 V C 3.090 179.163 176.094 -0.036 0.000 1.067 421 V CA 2.290 64.592 62.300 0.003 0.000 1.047 421 V CB -1.476 30.351 31.823 0.005 0.000 0.649 421 V HN 0.509 nan 8.190 nan 0.000 0.447 422 G N -0.310 108.473 108.800 -0.029 0.000 2.604 422 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.216 422 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.216 422 G C 1.635 176.501 174.900 -0.056 0.000 1.265 422 G CA 1.647 46.721 45.100 -0.042 0.000 0.804 422 G HN 0.442 nan 8.290 nan 0.000 0.579 423 T N 1.786 116.309 114.554 -0.050 0.000 2.760 423 T HA -0.105 4.245 4.350 -0.000 0.000 0.269 423 T C 2.700 177.354 174.700 -0.077 0.000 1.047 423 T CA 1.775 63.830 62.100 -0.075 0.000 1.139 423 T CB -0.452 68.364 68.868 -0.086 0.000 0.855 423 T HN 0.452 nan 8.240 nan 0.000 0.471 424 A N 1.248 124.029 122.820 -0.065 0.000 1.865 424 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 424 A C 2.314 179.805 177.584 -0.155 0.000 1.191 424 A CA 1.393 53.389 52.037 -0.069 0.000 0.623 424 A CB -0.884 18.091 19.000 -0.042 0.000 0.826 424 A HN 0.485 nan 8.150 nan 0.000 0.444 425 L N -0.841 120.253 121.223 -0.214 0.000 1.994 425 L HA -0.180 4.159 4.340 -0.000 0.000 0.208 425 L C 2.636 179.420 176.870 -0.143 0.000 1.071 425 L CA 1.335 55.995 54.840 -0.299 0.000 0.745 425 L CB -0.628 41.304 42.059 -0.211 0.000 0.892 425 L HN 0.469 nan 8.230 nan 0.000 0.431 426 L N -0.145 121.038 121.223 -0.067 0.000 2.010 426 L HA -0.323 4.017 4.340 -0.000 0.000 0.219 426 L C 2.595 179.461 176.870 -0.007 0.000 1.077 426 L CA 1.778 56.626 54.840 0.012 0.000 0.773 426 L CB -0.187 41.879 42.059 0.011 0.000 0.892 426 L HN 0.253 nan 8.230 nan 0.000 0.436 427 L N -0.626 120.587 121.223 -0.016 0.000 1.976 427 L HA -0.246 4.094 4.340 -0.000 0.000 0.209 427 L C 2.740 179.535 176.870 -0.125 0.000 1.071 427 L CA 1.245 56.106 54.840 0.035 0.000 0.746 427 L CB -0.680 41.398 42.059 0.032 0.000 0.890 427 L HN 0.156 nan 8.230 nan 0.000 0.432 428 K N -0.123 120.231 120.400 -0.077 0.000 2.152 428 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 428 K C 2.002 178.547 176.600 -0.092 0.000 1.048 428 K CA 1.240 57.501 56.287 -0.044 0.000 0.933 428 K CB -0.622 31.944 32.500 0.110 0.000 0.721 428 K HN 0.121 nan 8.250 nan 0.000 0.447 429 L N 0.518 121.694 121.223 -0.079 0.000 2.156 429 L HA 0.029 4.369 4.340 -0.000 0.000 0.208 429 L C 2.028 178.926 176.870 0.046 0.000 1.095 429 L CA 1.429 56.323 54.840 0.089 0.000 0.770 429 L CB -0.723 41.453 42.059 0.194 0.000 0.914 429 L HN 0.103 nan 8.230 nan 0.000 0.439 430 A N -1.377 121.149 122.820 -0.490 0.000 1.930 430 A HA -0.202 4.118 4.320 -0.000 0.000 0.215 430 A C 2.243 179.370 177.584 -0.762 0.000 1.176 430 A CA 1.238 52.553 52.037 -1.204 0.000 0.632 430 A CB -0.499 17.514 19.000 -1.645 0.000 0.819 430 A HN 0.554 nan 8.150 nan 0.000 0.445 431 Q N -0.646 118.566 119.800 -0.979 0.000 2.096 431 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 431 Q C 2.028 177.796 176.000 -0.387 0.000 0.982 431 Q CA 1.921 57.078 55.803 -1.078 0.000 0.850 431 Q CB -0.215 27.919 28.738 -1.006 0.000 0.901 431 Q HN 0.705 nan 8.270 nan 0.000 0.422 432 M N -0.653 118.805 119.600 -0.237 0.000 2.062 432 M HA -0.120 4.360 4.480 -0.000 0.000 0.259 432 M C 1.938 178.158 176.300 -0.134 0.000 1.076 432 M CA 1.505 56.694 55.300 -0.184 0.000 1.122 432 M CB -0.431 32.016 32.600 -0.256 0.000 1.312 432 M HN 0.195 nan 8.290 nan 0.000 0.412 433 F N 1.102 121.098 119.950 0.076 0.000 2.120 433 F HA -0.267 4.260 4.527 -0.000 0.000 0.300 433 F C 3.009 178.919 175.800 0.184 0.000 1.095 433 F CA 1.871 60.010 58.000 0.231 0.000 1.249 433 F CB -1.082 38.141 39.000 0.372 0.000 0.995 433 F HN 0.279 nan 8.300 nan 0.000 0.480 434 S N -0.449 115.394 115.700 0.238 0.000 2.359 434 S HA -0.280 4.190 4.470 -0.000 0.000 0.224 434 S C 1.769 176.449 174.600 0.133 0.000 1.035 434 S CA 1.571 59.869 58.200 0.164 0.000 1.018 434 S CB -0.959 62.293 63.200 0.086 0.000 0.876 434 S HN 0.409 nan 8.310 nan 0.000 0.448 435 D N 1.317 121.760 120.400 0.072 0.000 2.092 435 D HA -0.100 4.540 4.640 -0.000 0.000 0.193 435 D C 2.106 178.452 176.300 0.078 0.000 0.994 435 D CA 1.721 55.754 54.000 0.055 0.000 0.828 435 D CB -0.291 40.511 40.800 0.003 0.000 0.963 435 D HN 0.371 nan 8.370 nan 0.000 0.450 436 M N -0.401 119.249 119.600 0.083 0.000 2.144 436 M HA -0.184 4.296 4.480 -0.000 0.000 0.260 436 M C 2.171 178.608 176.300 0.228 0.000 1.067 436 M CA 0.919 56.298 55.300 0.131 0.000 1.095 436 M CB -0.206 32.481 32.600 0.146 0.000 1.365 436 M HN 0.056 nan 8.290 nan 0.000 0.406 437 V N 0.199 120.262 119.914 0.248 0.000 2.358 437 V HA -0.235 3.884 4.120 -0.000 0.000 0.246 437 V C 2.337 178.529 176.094 0.163 0.000 1.047 437 V CA 1.232 63.647 62.300 0.193 0.000 1.035 437 V CB -0.524 31.407 31.823 0.180 0.000 0.658 437 V HN 0.373 nan 8.190 nan 0.000 0.452 438 L N -0.278 121.029 121.223 0.139 0.000 2.049 438 L HA -0.031 4.309 4.340 -0.000 0.000 0.203 438 L C 2.340 179.263 176.870 0.089 0.000 1.074 438 L CA 1.937 56.844 54.840 0.112 0.000 0.749 438 L CB -1.245 40.873 42.059 0.098 0.000 0.907 438 L HN 0.339 nan 8.230 nan 0.000 0.439 439 K N -0.448 119.998 120.400 0.075 0.000 2.099 439 K HA -0.033 4.287 4.320 -0.000 0.000 0.203 439 K C 1.393 178.020 176.600 0.045 0.000 1.047 439 K CA 0.823 57.141 56.287 0.052 0.000 0.963 439 K CB 0.081 32.603 32.500 0.037 0.000 0.759 439 K HN 0.235 nan 8.250 nan 0.000 0.451 440 D N -0.240 120.190 120.400 0.050 0.000 2.355 440 D HA 0.018 4.658 4.640 -0.000 0.000 0.218 440 D C 0.952 177.284 176.300 0.053 0.000 1.004 440 D CA 0.835 54.856 54.000 0.034 0.000 0.880 440 D CB 0.710 41.514 40.800 0.006 0.000 0.911 440 D HN 0.449 nan 8.370 nan 0.000 0.528 441 G N 1.529 110.377 108.800 0.080 0.000 2.143 441 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.249 441 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.249 441 G C 0.109 175.063 174.900 0.089 0.000 0.981 441 G CA -0.229 44.911 45.100 0.066 0.000 0.665 441 G HN 0.319 nan 8.290 nan 0.000 0.528 442 F N 2.110 122.029 119.950 -0.052 0.000 2.541 442 F HA 0.506 5.033 4.527 -0.000 0.000 0.378 442 F C 0.711 176.411 175.800 -0.168 0.000 1.068 442 F CA -0.647 57.313 58.000 -0.066 0.000 1.199 442 F CB 0.500 39.505 39.000 0.010 0.000 1.091 442 F HN 0.243 nan 8.300 nan 0.000 0.555 443 Q N 7.808 127.424 119.800 -0.307 0.000 2.842 443 Q HA 0.271 4.611 4.340 -0.000 0.000 0.323 443 Q C -2.339 173.190 176.000 -0.786 0.000 1.111 443 Q CA -1.992 53.195 55.803 -1.027 0.000 1.047 443 Q CB 0.438 28.542 28.738 -1.056 0.000 1.280 443 Q HN 0.463 nan 8.270 nan 0.000 0.475 444 P HA -0.089 nan 4.420 nan 0.000 0.257 444 P C 0.258 177.522 177.300 -0.058 0.000 1.162 444 P CA 0.701 63.570 63.100 -0.386 0.000 0.762 444 P CB 0.852 32.291 31.700 -0.435 0.000 0.753 445 S N 2.731 118.450 115.700 0.031 0.000 2.447 445 S HA -0.050 4.420 4.470 -0.000 0.000 0.233 445 S C 0.752 175.406 174.600 0.090 0.000 1.006 445 S CA 1.051 59.295 58.200 0.072 0.000 0.957 445 S CB -0.120 63.111 63.200 0.052 0.000 0.773 445 S HN 0.426 nan 8.310 nan 0.000 0.507 446 R N 1.142 121.703 120.500 0.101 0.000 2.686 446 R HA 0.362 4.702 4.340 -0.000 0.000 0.283 446 R C -0.470 175.847 176.300 0.029 0.000 0.978 446 R CA -0.389 55.773 56.100 0.104 0.000 0.897 446 R CB 1.804 32.276 30.300 0.287 0.000 1.192 446 R HN 0.213 nan 8.270 nan 0.000 0.457 447 S N 2.391 118.011 115.700 -0.134 0.000 2.573 447 S HA 0.276 4.746 4.470 -0.000 0.000 0.277 447 S C 0.475 175.007 174.600 -0.115 0.000 1.346 447 S CA -0.348 57.738 58.200 -0.189 0.000 1.034 447 S CB 0.487 63.415 63.200 -0.453 0.000 0.879 447 S HN 0.407 nan 8.310 nan 0.000 0.528 448 I N 1.742 122.273 120.570 -0.064 0.000 2.562 448 I HA 0.540 4.709 4.170 -0.000 0.000 0.301 448 I C -0.260 175.791 176.117 -0.111 0.000 1.003 448 I CA -0.800 60.382 61.300 -0.196 0.000 1.127 448 I CB 1.680 39.447 38.000 -0.388 0.000 1.304 448 I HN 0.680 nan 8.210 nan 0.000 0.446 449 I N 5.519 125.959 120.570 -0.217 0.000 2.531 449 I HA 0.382 4.552 4.170 -0.000 0.000 0.283 449 I C -1.355 174.599 176.117 -0.271 0.000 1.083 449 I CA -0.345 60.927 61.300 -0.046 0.000 1.071 449 I CB 0.679 38.828 38.000 0.250 0.000 1.210 449 I HN 0.311 nan 8.210 nan 0.000 0.450 450 F N 6.447 126.272 119.950 -0.207 0.000 2.399 450 F HA 0.713 5.239 4.527 -0.000 0.000 0.342 450 F C 0.729 176.253 175.800 -0.461 0.000 1.106 450 F CA -0.400 57.412 58.000 -0.314 0.000 1.196 450 F CB 1.360 40.120 39.000 -0.400 0.000 1.163 450 F HN 0.487 nan 8.300 nan 0.000 0.547 451 A N 1.461 124.015 122.820 -0.442 0.000 2.437 451 A HA 0.556 4.876 4.320 -0.000 0.000 0.293 451 A C -0.889 175.995 177.584 -1.166 0.000 1.038 451 A CA -0.623 50.724 52.037 -1.150 0.000 0.708 451 A CB 1.415 19.246 19.000 -1.949 0.000 1.251 451 A HN 0.568 nan 8.150 nan 0.000 0.409 452 S N 2.638 117.756 115.700 -0.970 0.000 2.488 452 S HA 0.510 4.979 4.470 -0.000 0.000 0.310 452 S C -0.400 173.809 174.600 -0.651 0.000 1.093 452 S CA -0.448 57.358 58.200 -0.658 0.000 1.129 452 S CB -0.344 62.630 63.200 -0.378 0.000 0.989 452 S HN 0.506 nan 8.310 nan 0.000 0.479 453 W N 2.698 123.906 121.300 -0.153 0.000 1.992 453 W HA 0.548 5.208 4.660 -0.000 0.000 0.360 453 W C 1.068 177.573 176.519 -0.022 0.000 1.369 453 W CA -0.435 56.858 57.345 -0.086 0.000 1.403 453 W CB 0.261 29.716 29.460 -0.008 0.000 1.215 453 W HN 0.503 nan 8.180 nan 0.000 0.643 454 S N -0.583 115.288 115.700 0.285 0.000 2.685 454 S HA 0.535 5.005 4.470 -0.000 0.000 0.282 454 S C -0.036 174.697 174.600 0.221 0.000 1.159 454 S CA -0.114 58.202 58.200 0.192 0.000 0.833 454 S CB 1.049 64.320 63.200 0.118 0.000 1.151 454 S HN 1.565 nan 8.310 nan 0.000 0.485 455 A N -0.053 122.893 122.820 0.210 0.000 2.832 455 A HA -0.151 4.169 4.320 -0.000 0.000 0.280 455 A C 1.344 179.144 177.584 0.359 0.000 1.464 455 A CA 1.734 53.924 52.037 0.256 0.000 0.804 455 A CB -2.275 16.799 19.000 0.122 0.000 1.020 455 A HN 1.601 nan 8.150 nan 0.000 0.563 456 G N -1.082 107.912 108.800 0.324 0.000 2.464 456 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.217 456 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.217 456 G C 0.947 176.026 174.900 0.298 0.000 1.138 456 G CA 1.086 46.359 45.100 0.288 0.000 0.793 456 G HN 0.604 nan 8.290 nan 0.000 0.539 457 D N -0.015 120.578 120.400 0.322 0.000 2.378 457 D HA -0.012 4.628 4.640 -0.000 0.000 0.222 457 D C 0.557 176.791 176.300 -0.109 0.000 0.980 457 D CA 0.462 54.555 54.000 0.154 0.000 0.907 457 D CB 0.001 40.895 40.800 0.157 0.000 0.899 457 D HN 0.366 nan 8.370 nan 0.000 0.527 458 F N -0.603 119.412 119.950 0.107 0.000 2.708 458 F HA 0.342 4.869 4.527 -0.000 0.000 0.300 458 F C 1.429 177.324 175.800 0.157 0.000 1.118 458 F CA -0.305 57.639 58.000 -0.094 0.000 1.307 458 F CB 0.817 39.911 39.000 0.157 0.000 0.986 458 F HN -0.128 nan 8.300 nan 0.000 0.522 459 G N -0.504 108.647 108.800 0.586 0.000 2.181 459 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.152 459 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.152 459 G C 0.651 175.712 174.900 0.267 0.000 1.026 459 G CA -0.208 45.231 45.100 0.564 0.000 0.699 459 G HN 0.190 nan 8.290 nan 0.000 0.497 460 S N -2.606 113.231 115.700 0.227 0.000 3.476 460 S HA -0.333 4.137 4.470 -0.000 0.000 0.309 460 S C 2.132 176.785 174.600 0.088 0.000 1.222 460 S CA 1.330 59.604 58.200 0.123 0.000 0.922 460 S CB -1.749 61.480 63.200 0.048 0.000 1.023 460 S HN 1.543 nan 8.310 nan 0.000 0.591 461 V N 0.541 120.551 119.914 0.160 0.000 2.357 461 V HA -0.349 3.771 4.120 -0.000 0.000 0.257 461 V C 2.633 178.752 176.094 0.041 0.000 1.082 461 V CA 2.616 64.976 62.300 0.100 0.000 1.078 461 V CB -1.481 30.431 31.823 0.149 0.000 0.663 461 V HN 0.770 nan 8.190 nan 0.000 0.455 462 G N -0.827 108.040 108.800 0.111 0.000 2.424 462 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.214 462 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.214 462 G C 1.762 176.746 174.900 0.140 0.000 1.202 462 G CA 0.937 46.143 45.100 0.177 0.000 0.793 462 G HN 0.636 nan 8.290 nan 0.000 0.534 463 A N 0.393 123.142 122.820 -0.119 0.000 1.877 463 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 463 A C 2.544 179.914 177.584 -0.356 0.000 1.186 463 A CA 2.567 54.113 52.037 -0.819 0.000 0.620 463 A CB -1.082 16.976 19.000 -1.571 0.000 0.822 463 A HN 0.318 nan 8.150 nan 0.000 0.443 464 T N 0.380 114.798 114.554 -0.227 0.000 2.652 464 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 464 T C 1.657 176.257 174.700 -0.166 0.000 1.039 464 T CA 1.483 63.464 62.100 -0.198 0.000 1.153 464 T CB -0.352 68.419 68.868 -0.163 0.000 0.863 464 T HN 0.487 nan 8.240 nan 0.000 0.428 465 E N -0.127 119.975 120.200 -0.162 0.000 2.333 465 E HA -0.114 4.236 4.350 -0.000 0.000 0.198 465 E C 1.667 178.229 176.600 -0.063 0.000 1.007 465 E CA 0.531 56.797 56.400 -0.224 0.000 0.845 465 E CB -0.213 29.221 29.700 -0.443 0.000 0.766 465 E HN 0.699 nan 8.360 nan 0.000 0.507 466 W N 1.297 122.554 121.300 -0.072 0.000 2.444 466 W HA -0.061 4.599 4.660 -0.000 0.000 0.308 466 W C 1.899 178.506 176.519 0.145 0.000 1.183 466 W CA 0.933 58.405 57.345 0.212 0.000 1.340 466 W CB -0.468 29.239 29.460 0.411 0.000 1.138 466 W HN -0.063 nan 8.180 nan 0.000 0.510 467 L N 0.565 121.799 121.223 0.018 0.000 2.012 467 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 467 L C 2.389 179.272 176.870 0.022 0.000 1.073 467 L CA 1.965 56.703 54.840 -0.171 0.000 0.748 467 L CB -1.267 40.689 42.059 -0.172 0.000 0.891 467 L HN 0.019 nan 8.230 nan 0.000 0.431 468 E N 0.170 120.402 120.200 0.053 0.000 2.253 468 E HA -0.253 4.097 4.350 -0.000 0.000 0.202 468 E C 2.125 178.735 176.600 0.016 0.000 1.014 468 E CA 1.074 57.515 56.400 0.069 0.000 0.823 468 E CB -0.285 29.346 29.700 -0.114 0.000 0.736 468 E HN 0.627 nan 8.360 nan 0.000 0.478 469 G N -0.478 108.295 108.800 -0.046 0.000 2.421 469 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 469 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 469 G C 0.425 175.115 174.900 -0.350 0.000 1.143 469 G CA 0.386 45.382 45.100 -0.173 0.000 0.784 469 G HN 0.204 nan 8.290 nan 0.000 0.541 470 Y N -0.066 120.049 120.300 -0.309 0.000 2.631 470 Y HA 0.376 4.926 4.550 -0.000 0.000 0.361 470 Y C 1.298 177.039 175.900 -0.265 0.000 0.941 470 Y CA -1.241 56.672 58.100 -0.312 0.000 1.327 470 Y CB 0.609 38.810 38.460 -0.432 0.000 1.299 470 Y HN 0.013 nan 8.280 nan 0.000 0.578 471 L N 0.932 122.103 121.223 -0.086 0.000 2.197 471 L HA -0.235 4.105 4.340 -0.000 0.000 0.215 471 L C 1.438 178.229 176.870 -0.131 0.000 1.095 471 L CA 2.345 57.114 54.840 -0.118 0.000 0.764 471 L CB -0.183 41.847 42.059 -0.047 0.000 0.897 471 L HN 0.396 nan 8.230 nan 0.000 0.436 472 S N -4.052 111.571 115.700 -0.128 0.000 3.073 472 S HA 0.285 4.755 4.470 -0.000 0.000 0.252 472 S C 0.674 175.098 174.600 -0.293 0.000 0.953 472 S CA 0.034 58.149 58.200 -0.142 0.000 1.105 472 S CB -0.193 62.969 63.200 -0.065 0.000 1.070 472 S HN 0.411 nan 8.310 nan 0.000 0.574 473 S N -0.125 115.371 115.700 -0.341 0.000 2.617 473 S HA 0.198 4.668 4.470 -0.000 0.000 0.278 473 S C 1.099 175.417 174.600 -0.470 0.000 1.082 473 S CA 0.115 58.051 58.200 -0.441 0.000 1.228 473 S CB -0.441 62.648 63.200 -0.184 0.000 1.130 473 S HN 0.250 nan 8.310 nan 0.000 0.621 474 L N 4.566 125.577 121.223 -0.353 0.000 2.043 474 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 474 L C 2.602 179.320 176.870 -0.253 0.000 1.075 474 L CA 2.615 57.249 54.840 -0.343 0.000 0.752 474 L CB -1.081 40.775 42.059 -0.338 0.000 0.891 474 L HN 0.691 nan 8.230 nan 0.000 0.432 475 H N -1.544 117.400 119.070 -0.209 0.000 2.518 475 H HA -0.120 4.436 4.556 -0.000 0.000 0.289 475 H C 1.945 177.214 175.328 -0.098 0.000 1.051 475 H CA 1.365 57.331 56.048 -0.137 0.000 1.280 475 H CB -0.507 29.111 29.762 -0.239 0.000 1.380 475 H HN 0.452 nan 8.280 nan 0.000 0.566 476 L N 0.146 121.070 121.223 -0.498 0.000 2.478 476 L HA -0.008 4.332 4.340 -0.000 0.000 0.223 476 L C 2.020 178.896 176.870 0.010 0.000 1.140 476 L CA 0.733 55.447 54.840 -0.210 0.000 0.842 476 L CB 0.138 42.022 42.059 -0.292 0.000 0.953 476 L HN 0.195 nan 8.230 nan 0.000 0.452 477 K N -0.480 119.920 120.400 -0.002 0.000 2.313 477 K HA 0.306 4.625 4.320 -0.000 0.000 0.215 477 K C 0.660 177.416 176.600 0.260 0.000 1.109 477 K CA 0.303 56.688 56.287 0.164 0.000 0.895 477 K CB 0.207 32.705 32.500 -0.004 0.000 1.234 477 K HN 0.046 nan 8.250 nan 0.000 0.463 478 A N 1.662 124.576 122.820 0.156 0.000 2.320 478 A HA 0.356 4.676 4.320 -0.000 0.000 0.287 478 A C 0.186 177.886 177.584 0.194 0.000 1.181 478 A CA -0.384 51.767 52.037 0.190 0.000 0.831 478 A CB -0.259 18.900 19.000 0.265 0.000 1.102 478 A HN 0.444 nan 8.150 nan 0.000 0.513 479 F N 0.449 120.489 119.950 0.150 0.000 2.695 479 F HA 0.477 5.004 4.527 -0.000 0.000 0.303 479 F C 0.128 176.009 175.800 0.135 0.000 1.091 479 F CA -0.269 57.789 58.000 0.097 0.000 1.300 479 F CB -0.033 38.968 39.000 0.002 0.000 1.071 479 F HN 0.298 nan 8.300 nan 0.000 0.578 480 T N -0.061 114.484 114.554 -0.016 0.000 3.087 480 T HA 0.224 4.574 4.350 -0.000 0.000 0.351 480 T C -2.513 172.205 174.700 0.029 0.000 1.520 480 T CA -0.510 61.628 62.100 0.064 0.000 1.111 480 T CB 1.479 70.390 68.868 0.072 0.000 1.353 480 T HN 0.141 nan 8.240 nan 0.000 0.481 481 Y N 3.816 124.070 120.300 -0.075 0.000 2.326 481 Y HA 0.740 5.290 4.550 -0.000 0.000 0.331 481 Y C -1.002 174.781 175.900 -0.194 0.000 0.962 481 Y CA -1.133 56.824 58.100 -0.239 0.000 1.167 481 Y CB 0.517 38.636 38.460 -0.567 0.000 1.148 481 Y HN 0.622 nan 8.280 nan 0.000 0.463 482 I N 5.603 125.741 120.570 -0.720 0.000 2.664 482 I HA 0.325 4.495 4.170 -0.000 0.000 0.308 482 I C -0.390 175.152 176.117 -0.958 0.000 0.984 482 I CA -0.880 60.098 61.300 -0.536 0.000 1.213 482 I CB 1.472 39.358 38.000 -0.190 0.000 1.379 482 I HN 0.635 nan 8.210 nan 0.000 0.501 483 N N 4.438 122.770 118.700 -0.614 0.000 2.454 483 N HA 0.308 5.048 4.740 -0.000 0.000 0.291 483 N C -0.378 174.874 175.510 -0.429 0.000 1.079 483 N CA -0.406 52.341 53.050 -0.505 0.000 0.893 483 N CB 1.936 40.228 38.487 -0.324 0.000 1.512 483 N HN 0.546 nan 8.380 nan 0.000 0.497 484 L N 0.811 121.863 121.223 -0.286 0.000 2.592 484 L HA 0.220 4.560 4.340 -0.000 0.000 0.227 484 L C 0.173 176.939 176.870 -0.172 0.000 1.127 484 L CA -0.137 54.547 54.840 -0.260 0.000 0.884 484 L CB -0.170 41.810 42.059 -0.131 0.000 1.065 484 L HN 0.370 nan 8.230 nan 0.000 0.457 485 D N 2.049 122.378 120.400 -0.117 0.000 2.478 485 D HA -0.055 4.585 4.640 -0.000 0.000 0.234 485 D C 0.579 176.830 176.300 -0.080 0.000 1.154 485 D CA 0.399 54.366 54.000 -0.054 0.000 0.874 485 D CB 0.461 41.260 40.800 -0.001 0.000 1.198 485 D HN 0.030 nan 8.370 nan 0.000 0.455 486 K N 0.465 120.838 120.400 -0.045 0.000 3.100 486 K HA -0.280 4.040 4.320 -0.000 0.000 0.261 486 K C 0.882 177.463 176.600 -0.032 0.000 0.920 486 K CA 0.346 56.605 56.287 -0.047 0.000 0.683 486 K CB -1.012 31.462 32.500 -0.043 0.000 1.349 486 K HN 0.502 nan 8.250 nan 0.000 0.473 487 A N 0.061 122.874 122.820 -0.011 0.000 1.930 487 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 487 A C 0.921 178.648 177.584 0.238 0.000 1.175 487 A CA 1.092 53.189 52.037 0.100 0.000 0.627 487 A CB 0.507 19.598 19.000 0.152 0.000 0.815 487 A HN 0.137 nan 8.150 nan 0.000 0.443 488 V N 0.344 120.345 119.914 0.143 0.000 2.350 488 V HA 0.427 4.546 4.120 -0.000 0.000 0.285 488 V C -0.063 176.061 176.094 0.050 0.000 1.014 488 V CA -0.184 62.204 62.300 0.147 0.000 0.831 488 V CB 1.298 33.173 31.823 0.087 0.000 1.000 488 V HN 0.310 nan 8.190 nan 0.000 0.433 489 L N 3.941 125.219 121.223 0.093 0.000 3.174 489 L HA 0.700 5.040 4.340 -0.000 0.000 0.283 489 L C 0.890 177.853 176.870 0.154 0.000 1.187 489 L CA 0.936 55.808 54.840 0.053 0.000 1.018 489 L CB 0.725 42.808 42.059 0.039 0.000 1.433 489 L HN 0.799 nan 8.230 nan 0.000 0.593 490 G N -1.301 107.594 108.800 0.159 0.000 2.500 490 G HA2 0.452 4.412 3.960 -0.000 0.000 0.299 490 G HA3 0.452 4.412 3.960 -0.000 0.000 0.299 490 G C -0.433 174.562 174.900 0.157 0.000 1.242 490 G CA 0.439 45.630 45.100 0.152 0.000 0.859 490 G HN -0.184 nan 8.290 nan 0.000 0.481 491 T N -2.904 111.757 114.554 0.178 0.000 3.488 491 T HA 0.396 4.746 4.350 -0.000 0.000 0.312 491 T C 1.025 175.940 174.700 0.358 0.000 0.931 491 T CA 0.909 63.154 62.100 0.241 0.000 0.982 491 T CB 0.476 69.451 68.868 0.179 0.000 1.198 491 T HN 0.362 nan 8.240 nan 0.000 0.545 492 S N 1.867 117.732 115.700 0.275 0.000 2.431 492 S HA 0.271 4.741 4.470 -0.000 0.000 0.210 492 S C 0.903 175.674 174.600 0.284 0.000 1.013 492 S CA 0.033 58.383 58.200 0.250 0.000 0.920 492 S CB -0.038 63.246 63.200 0.141 0.000 0.882 492 S HN 0.531 nan 8.310 nan 0.000 0.567 493 N N 0.340 119.169 118.700 0.215 0.000 2.538 493 N HA 0.386 5.126 4.740 -0.000 0.000 0.292 493 N C -1.284 174.356 175.510 0.218 0.000 1.262 493 N CA -0.267 52.894 53.050 0.183 0.000 0.976 493 N CB 0.558 39.105 38.487 0.099 0.000 1.161 493 N HN 0.239 nan 8.380 nan 0.000 0.598 494 F N 0.737 120.652 119.950 -0.059 0.000 2.766 494 F HA 0.248 4.775 4.527 -0.000 0.000 0.355 494 F C 0.047 175.770 175.800 -0.128 0.000 1.434 494 F CA -0.737 57.134 58.000 -0.215 0.000 1.139 494 F CB 0.234 39.036 39.000 -0.329 0.000 1.816 494 F HN 0.265 nan 8.300 nan 0.000 0.600 495 K N 2.319 122.528 120.400 -0.317 0.000 2.380 495 K HA 0.511 4.831 4.320 -0.000 0.000 0.267 495 K C -1.292 175.015 176.600 -0.489 0.000 0.990 495 K CA 0.117 56.229 56.287 -0.292 0.000 0.946 495 K CB 0.803 33.194 32.500 -0.183 0.000 0.937 495 K HN 0.312 nan 8.250 nan 0.000 0.491 496 V N 2.527 122.252 119.914 -0.315 0.000 2.711 496 V HA 0.203 4.322 4.120 -0.000 0.000 0.304 496 V C -1.312 174.691 176.094 -0.151 0.000 1.097 496 V CA -0.834 61.310 62.300 -0.260 0.000 0.906 496 V CB 2.193 33.894 31.823 -0.204 0.000 1.015 496 V HN 0.849 nan 8.190 nan 0.000 0.427 497 S N 3.065 118.681 115.700 -0.139 0.000 2.502 497 S HA 0.980 5.450 4.470 -0.000 0.000 0.304 497 S C -0.140 174.379 174.600 -0.135 0.000 1.097 497 S CA -0.115 57.997 58.200 -0.146 0.000 1.045 497 S CB 1.955 65.062 63.200 -0.155 0.000 1.019 497 S HN 1.347 nan 8.310 nan 0.000 0.481 498 A N 1.553 124.267 122.820 -0.177 0.000 2.511 498 A HA 0.807 5.127 4.320 -0.000 0.000 0.293 498 A C -0.660 176.761 177.584 -0.271 0.000 1.098 498 A CA -0.723 51.211 52.037 -0.172 0.000 0.643 498 A CB 0.655 19.591 19.000 -0.106 0.000 1.302 498 A HN 0.706 nan 8.150 nan 0.000 0.446 499 S N 0.922 116.502 115.700 -0.200 0.000 2.545 499 S HA 0.473 4.943 4.470 -0.000 0.000 0.275 499 S C -1.054 173.486 174.600 -0.100 0.000 1.299 499 S CA -0.928 57.161 58.200 -0.185 0.000 1.048 499 S CB 0.731 63.944 63.200 0.022 0.000 0.938 499 S HN 0.462 nan 8.310 nan 0.000 0.496 500 P HA -0.182 nan 4.420 nan 0.000 0.219 500 P C 1.411 178.694 177.300 -0.029 0.000 1.145 500 P CA 1.222 64.239 63.100 -0.138 0.000 0.813 500 P CB -0.055 31.440 31.700 -0.341 0.000 0.771 501 L N -1.629 119.623 121.223 0.048 0.000 2.265 501 L HA -0.084 4.256 4.340 -0.000 0.000 0.215 501 L C 2.192 179.090 176.870 0.046 0.000 1.117 501 L CA 1.053 55.962 54.840 0.115 0.000 0.782 501 L CB -0.535 41.662 42.059 0.230 0.000 0.914 501 L HN 0.000 nan 8.230 nan 0.000 0.441 502 L N -2.408 118.815 121.223 -0.001 0.000 2.769 502 L HA 0.009 4.349 4.340 -0.000 0.000 0.240 502 L C 1.816 178.616 176.870 -0.117 0.000 1.163 502 L CA -0.315 54.466 54.840 -0.097 0.000 0.962 502 L CB -0.195 41.763 42.059 -0.169 0.000 1.258 502 L HN 0.069 nan 8.230 nan 0.000 0.513 503 Y N 1.410 121.625 120.300 -0.142 0.000 2.097 503 Y HA -0.317 4.233 4.550 -0.000 0.000 0.282 503 Y C 2.465 178.287 175.900 -0.130 0.000 1.152 503 Y CA 2.348 60.369 58.100 -0.131 0.000 1.136 503 Y CB -0.302 38.089 38.460 -0.116 0.000 0.975 503 Y HN 0.094 nan 8.280 nan 0.000 0.498 504 T N 1.110 115.541 114.554 -0.206 0.000 2.881 504 T HA -0.158 4.191 4.350 -0.000 0.000 0.270 504 T C 1.770 176.286 174.700 -0.306 0.000 1.068 504 T CA 1.267 63.196 62.100 -0.284 0.000 1.131 504 T CB -0.519 68.273 68.868 -0.127 0.000 0.871 504 T HN 0.290 nan 8.240 nan 0.000 0.479 505 L N 1.182 122.237 121.223 -0.281 0.000 2.005 505 L HA 0.119 4.459 4.340 -0.000 0.000 0.207 505 L C 2.117 178.831 176.870 -0.261 0.000 1.072 505 L CA 1.468 56.136 54.840 -0.287 0.000 0.744 505 L CB -0.663 41.170 42.059 -0.378 0.000 0.895 505 L HN 0.230 nan 8.230 nan 0.000 0.433 506 I N -0.357 120.021 120.570 -0.320 0.000 2.151 506 I HA -0.333 3.837 4.170 -0.000 0.000 0.243 506 I C 2.520 178.556 176.117 -0.136 0.000 1.080 506 I CA 1.779 63.013 61.300 -0.110 0.000 1.339 506 I CB -0.473 37.456 38.000 -0.119 0.000 1.039 506 I HN 0.476 nan 8.210 nan 0.000 0.409 507 E N 1.424 121.390 120.200 -0.390 0.000 2.000 507 E HA -0.287 4.063 4.350 -0.000 0.000 0.199 507 E C 2.106 178.457 176.600 -0.415 0.000 1.011 507 E CA 1.564 57.661 56.400 -0.505 0.000 0.836 507 E CB 0.047 29.342 29.700 -0.674 0.000 0.778 507 E HN 0.118 nan 8.360 nan 0.000 0.462 508 K N -0.061 120.138 120.400 -0.335 0.000 2.228 508 K HA -0.128 4.192 4.320 -0.000 0.000 0.205 508 K C 1.991 178.521 176.600 -0.116 0.000 1.045 508 K CA 1.716 57.860 56.287 -0.237 0.000 0.931 508 K CB -0.552 31.820 32.500 -0.214 0.000 0.727 508 K HN 0.176 nan 8.250 nan 0.000 0.458 509 T N 0.222 114.752 114.554 -0.040 0.000 2.894 509 T HA 0.044 4.394 4.350 -0.000 0.000 0.258 509 T C 1.484 176.223 174.700 0.066 0.000 1.043 509 T CA 0.864 63.022 62.100 0.096 0.000 1.141 509 T CB -0.046 69.002 68.868 0.300 0.000 0.873 509 T HN 0.157 nan 8.240 nan 0.000 0.449 510 M N 1.129 120.743 119.600 0.023 0.000 2.706 510 M HA -0.008 4.472 4.480 -0.000 0.000 0.251 510 M C 1.789 178.155 176.300 0.109 0.000 1.070 510 M CA 1.142 56.458 55.300 0.027 0.000 1.073 510 M CB -0.289 32.367 32.600 0.093 0.000 1.449 510 M HN 0.273 nan 8.290 nan 0.000 0.531 511 Q N -0.597 119.232 119.800 0.047 0.000 2.356 511 Q HA 0.087 4.427 4.340 -0.000 0.000 0.205 511 Q C 1.121 177.255 176.000 0.223 0.000 0.901 511 Q CA 0.235 56.084 55.803 0.075 0.000 0.938 511 Q CB 0.505 29.177 28.738 -0.109 0.000 1.081 511 Q HN 0.528 nan 8.270 nan 0.000 0.517 512 N N -0.684 118.178 118.700 0.269 0.000 2.332 512 N HA 0.075 4.815 4.740 -0.000 0.000 0.190 512 N C -0.324 175.337 175.510 0.253 0.000 1.117 512 N CA 0.293 53.547 53.050 0.340 0.000 0.883 512 N CB 1.487 40.164 38.487 0.316 0.000 1.089 512 N HN -0.085 nan 8.380 nan 0.000 0.480 513 V N 2.636 122.632 119.914 0.136 0.000 2.407 513 V HA 0.240 4.360 4.120 -0.000 0.000 0.278 513 V C 0.186 176.211 176.094 -0.114 0.000 1.037 513 V CA -0.583 61.697 62.300 -0.033 0.000 0.900 513 V CB 1.643 33.396 31.823 -0.115 0.000 0.983 513 V HN -0.053 nan 8.190 nan 0.000 0.459 514 K N 2.795 123.049 120.400 -0.244 0.000 2.156 514 K HA 0.380 4.700 4.320 -0.000 0.000 0.271 514 K C -0.052 176.490 176.600 -0.097 0.000 0.995 514 K CA -0.714 55.392 56.287 -0.301 0.000 0.890 514 K CB 1.190 33.397 32.500 -0.488 0.000 1.073 514 K HN 0.804 nan 8.250 nan 0.000 0.454 515 H N 4.141 123.140 119.070 -0.118 0.000 3.064 515 H HA -0.055 4.501 4.556 -0.000 0.000 0.329 515 H C -1.332 173.936 175.328 -0.100 0.000 1.020 515 H CA -0.886 55.143 56.048 -0.031 0.000 1.402 515 H CB 0.967 30.736 29.762 0.012 0.000 1.379 515 H HN 0.422 nan 8.280 nan 0.000 0.594 516 P HA -0.184 nan 4.420 nan 0.000 0.216 516 P C 1.206 178.546 177.300 0.066 0.000 1.153 516 P CA 1.109 64.214 63.100 0.009 0.000 0.848 516 P CB 0.308 31.892 31.700 -0.194 0.000 0.787 517 V N -0.119 119.910 119.914 0.192 0.000 2.283 517 V HA -0.039 4.081 4.120 -0.000 0.000 0.239 517 V C 1.300 177.286 176.094 -0.181 0.000 1.035 517 V CA 1.660 63.923 62.300 -0.061 0.000 1.018 517 V CB -1.655 30.104 31.823 -0.106 0.000 0.658 517 V HN 0.104 nan 8.190 nan 0.000 0.459 518 T N 0.946 115.254 114.554 -0.410 0.000 2.901 518 T HA 0.319 4.669 4.350 -0.000 0.000 0.301 518 T C 1.198 175.818 174.700 -0.133 0.000 1.012 518 T CA 0.452 62.386 62.100 -0.277 0.000 1.135 518 T CB 1.340 70.000 68.868 -0.347 0.000 0.936 518 T HN 0.482 nan 8.240 nan 0.000 0.539 519 G N 2.184 110.925 108.800 -0.098 0.000 2.679 519 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.212 519 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.212 519 G C 0.535 175.370 174.900 -0.108 0.000 1.137 519 G CA 0.237 45.281 45.100 -0.094 0.000 0.787 519 G HN 0.641 nan 8.290 nan 0.000 0.534 520 Q N -0.638 119.131 119.800 -0.051 0.000 2.317 520 Q HA 0.391 4.731 4.340 -0.000 0.000 0.229 520 Q C -0.633 175.376 176.000 0.015 0.000 0.984 520 Q CA -0.732 55.089 55.803 0.029 0.000 0.911 520 Q CB 0.917 29.708 28.738 0.088 0.000 1.217 520 Q HN 0.235 nan 8.270 nan 0.000 0.501 521 F N 0.541 120.516 119.950 0.041 0.000 2.450 521 F HA -0.011 4.516 4.527 -0.000 0.000 0.339 521 F C 1.442 177.271 175.800 0.049 0.000 1.146 521 F CA -0.028 57.999 58.000 0.045 0.000 1.267 521 F CB 0.220 39.257 39.000 0.062 0.000 1.178 521 F HN 0.469 nan 8.300 nan 0.000 0.585 522 L N 0.861 122.186 121.223 0.169 0.000 2.083 522 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 522 L C 0.562 177.527 176.870 0.159 0.000 1.083 522 L CA 0.871 55.727 54.840 0.028 0.000 0.752 522 L CB -0.432 41.442 42.059 -0.310 0.000 0.899 522 L HN 0.473 nan 8.230 nan 0.000 0.433 523 Y N 2.116 122.462 120.300 0.075 0.000 2.496 523 Y HA 0.013 4.563 4.550 -0.000 0.000 0.334 523 Y C 0.497 176.434 175.900 0.061 0.000 1.080 523 Y CA -0.735 57.400 58.100 0.058 0.000 1.355 523 Y CB 0.007 38.485 38.460 0.030 0.000 1.193 523 Y HN 0.098 nan 8.280 nan 0.000 0.523 524 Q N 5.904 125.461 119.800 -0.405 0.000 2.381 524 Q HA -0.055 4.285 4.340 -0.000 0.000 0.243 524 Q C 0.742 176.359 176.000 -0.638 0.000 1.154 524 Q CA -0.070 55.508 55.803 -0.376 0.000 0.899 524 Q CB 0.326 28.932 28.738 -0.221 0.000 1.396 524 Q HN 0.788 nan 8.270 nan 0.000 0.485 525 D N 0.895 121.059 120.400 -0.393 0.000 2.357 525 D HA -0.122 4.517 4.640 -0.000 0.000 0.216 525 D C 1.230 177.432 176.300 -0.164 0.000 0.973 525 D CA 1.069 54.910 54.000 -0.264 0.000 0.912 525 D CB 0.403 41.146 40.800 -0.094 0.000 0.900 525 D HN 0.489 nan 8.370 nan 0.000 0.501 526 S N -0.499 115.108 115.700 -0.156 0.000 2.603 526 S HA 0.023 4.493 4.470 -0.000 0.000 0.220 526 S C 0.735 175.311 174.600 -0.039 0.000 0.967 526 S CA -0.292 57.867 58.200 -0.068 0.000 0.920 526 S CB 0.302 63.472 63.200 -0.049 0.000 0.773 526 S HN 0.072 nan 8.310 nan 0.000 0.529 527 N N 0.756 119.393 118.700 -0.104 0.000 2.453 527 N HA 0.379 5.119 4.740 -0.000 0.000 0.290 527 N C 0.101 175.670 175.510 0.099 0.000 1.250 527 N CA -0.580 52.444 53.050 -0.043 0.000 0.815 527 N CB 0.828 39.227 38.487 -0.148 0.000 1.381 527 N HN 0.561 nan 8.380 nan 0.000 0.510 528 W N -1.620 119.733 121.300 0.088 0.000 2.741 528 W HA 0.550 5.210 4.660 -0.000 0.000 0.317 528 W C -0.929 175.702 176.519 0.187 0.000 1.029 528 W CA -0.360 57.072 57.345 0.145 0.000 1.511 528 W CB 0.302 29.817 29.460 0.092 0.000 1.025 528 W HN 0.392 nan 8.180 nan 0.000 0.554 529 A N 2.511 124.868 122.820 -0.772 0.000 2.409 529 A HA 0.605 4.925 4.320 -0.000 0.000 0.300 529 A C -0.205 177.222 177.584 -0.262 0.000 1.273 529 A CA -0.298 51.285 52.037 -0.758 0.000 0.774 529 A CB 0.636 18.736 19.000 -1.499 0.000 1.144 529 A HN 0.039 nan 8.150 nan 0.000 0.472 530 S N 1.213 116.960 115.700 0.078 0.000 2.645 530 S HA 0.365 4.835 4.470 -0.000 0.000 0.266 530 S C 0.249 174.909 174.600 0.099 0.000 1.258 530 S CA -0.572 57.717 58.200 0.148 0.000 0.990 530 S CB 0.923 64.293 63.200 0.285 0.000 0.967 530 S HN 0.713 nan 8.310 nan 0.000 0.556 531 K N 1.234 121.675 120.400 0.068 0.000 2.234 531 K HA 0.503 4.823 4.320 -0.000 0.000 0.277 531 K C -1.636 174.987 176.600 0.038 0.000 1.038 531 K CA -0.403 55.897 56.287 0.023 0.000 0.888 531 K CB 0.502 32.996 32.500 -0.009 0.000 1.091 531 K HN 0.371 nan 8.250 nan 0.000 0.467 532 V N 3.779 123.702 119.914 0.016 0.000 2.588 532 V HA 0.266 4.386 4.120 -0.000 0.000 0.304 532 V C -0.400 175.642 176.094 -0.086 0.000 1.042 532 V CA -0.899 61.394 62.300 -0.013 0.000 0.877 532 V CB 1.616 33.468 31.823 0.048 0.000 0.996 532 V HN 0.870 nan 8.190 nan 0.000 0.425 533 E N 2.655 122.786 120.200 -0.115 0.000 2.283 533 E HA 0.460 4.810 4.350 -0.000 0.000 0.267 533 E C -0.523 175.957 176.600 -0.200 0.000 1.045 533 E CA -0.755 55.562 56.400 -0.139 0.000 0.884 533 E CB 1.221 30.844 29.700 -0.130 0.000 1.106 533 E HN 0.544 nan 8.360 nan 0.000 0.408 534 K N 1.948 122.228 120.400 -0.201 0.000 2.185 534 K HA 0.205 4.525 4.320 -0.000 0.000 0.271 534 K C -0.548 175.927 176.600 -0.208 0.000 1.013 534 K CA -0.674 55.456 56.287 -0.262 0.000 0.943 534 K CB 0.571 32.974 32.500 -0.162 0.000 0.998 534 K HN 0.302 nan 8.250 nan 0.000 0.468 535 L N 2.774 123.878 121.223 -0.199 0.000 2.416 535 L HA 0.132 4.472 4.340 -0.000 0.000 0.272 535 L C 0.681 177.450 176.870 -0.169 0.000 1.161 535 L CA 0.311 55.092 54.840 -0.098 0.000 0.845 535 L CB 0.302 42.392 42.059 0.052 0.000 1.119 535 L HN 0.806 nan 8.230 nan 0.000 0.464 536 T N -0.125 114.272 114.554 -0.261 0.000 2.929 536 T HA 0.268 4.618 4.350 -0.000 0.000 0.284 536 T C 1.317 175.582 174.700 -0.726 0.000 1.014 536 T CA -0.896 60.925 62.100 -0.465 0.000 1.051 536 T CB 1.785 70.467 68.868 -0.309 0.000 1.028 536 T HN 0.344 nan 8.240 nan 0.000 0.485 537 L N 1.487 122.110 121.223 -0.999 0.000 2.283 537 L HA -0.116 4.224 4.340 -0.000 0.000 0.217 537 L C 1.342 177.947 176.870 -0.442 0.000 1.104 537 L CA 2.052 56.308 54.840 -0.973 0.000 0.772 537 L CB -1.043 40.629 42.059 -0.646 0.000 0.899 537 L HN 0.932 nan 8.230 nan 0.000 0.439 538 D N -1.853 118.355 120.400 -0.320 0.000 2.722 538 D HA -0.014 4.625 4.640 -0.000 0.000 0.239 538 D C 0.128 176.385 176.300 -0.072 0.000 1.249 538 D CA -0.201 53.700 54.000 -0.165 0.000 0.830 538 D CB -0.412 40.301 40.800 -0.145 0.000 1.025 538 D HN 0.401 nan 8.370 nan 0.000 0.486 539 N N -0.109 118.571 118.700 -0.033 0.000 2.480 539 N HA 0.345 5.085 4.740 -0.000 0.000 0.289 539 N C 0.912 176.496 175.510 0.123 0.000 1.073 539 N CA -0.456 52.615 53.050 0.034 0.000 0.885 539 N CB 1.588 40.077 38.487 0.003 0.000 1.421 539 N HN -0.036 nan 8.380 nan 0.000 0.503 540 A N 3.060 125.952 122.820 0.120 0.000 2.067 540 A HA -0.259 4.061 4.320 -0.000 0.000 0.224 540 A C 2.049 179.759 177.584 0.210 0.000 1.172 540 A CA 2.356 54.468 52.037 0.125 0.000 0.662 540 A CB -0.680 18.385 19.000 0.107 0.000 0.814 540 A HN 0.771 nan 8.150 nan 0.000 0.468 541 A N -1.516 121.464 122.820 0.267 0.000 1.968 541 A HA 0.075 4.395 4.320 -0.000 0.000 0.217 541 A C 1.921 179.658 177.584 0.254 0.000 1.169 541 A CA 1.369 53.599 52.037 0.321 0.000 0.638 541 A CB -0.621 18.502 19.000 0.204 0.000 0.812 541 A HN 0.707 nan 8.150 nan 0.000 0.446 542 F N 1.574 121.553 119.950 0.049 0.000 2.065 542 F HA -0.114 4.413 4.527 -0.000 0.000 0.298 542 F C -0.710 175.131 175.800 0.068 0.000 1.112 542 F CA 2.141 60.128 58.000 -0.022 0.000 1.212 542 F CB -1.308 37.600 39.000 -0.153 0.000 0.975 542 F HN 0.154 nan 8.300 nan 0.000 0.476 543 P HA -0.185 nan 4.420 nan 0.000 0.215 543 P C 1.794 179.135 177.300 0.068 0.000 1.157 543 P CA 1.784 64.916 63.100 0.052 0.000 0.868 543 P CB -0.296 31.461 31.700 0.095 0.000 0.788 544 F N -1.072 118.826 119.950 -0.086 0.000 2.154 544 F HA -0.187 4.340 4.527 -0.000 0.000 0.301 544 F C 2.132 177.939 175.800 0.013 0.000 1.087 544 F CA 1.398 59.358 58.000 -0.065 0.000 1.274 544 F CB -1.005 37.880 39.000 -0.191 0.000 1.009 544 F HN -0.114 nan 8.300 nan 0.000 0.485 545 L N -0.509 120.805 121.223 0.151 0.000 2.145 545 L HA 0.258 4.598 4.340 -0.000 0.000 0.201 545 L C 2.144 178.989 176.870 -0.041 0.000 1.075 545 L CA 1.764 56.636 54.840 0.055 0.000 0.773 545 L CB -1.080 40.981 42.059 0.005 0.000 0.936 545 L HN -0.059 nan 8.230 nan 0.000 0.451 546 A N -2.037 120.660 122.820 -0.205 0.000 2.123 546 A HA -0.085 4.235 4.320 -0.000 0.000 0.214 546 A C 1.943 179.657 177.584 0.217 0.000 1.152 546 A CA 1.337 53.294 52.037 -0.133 0.000 0.728 546 A CB -0.602 17.874 19.000 -0.874 0.000 0.814 546 A HN 0.665 nan 8.150 nan 0.000 0.464 547 Y N -1.187 119.147 120.300 0.056 0.000 2.664 547 Y HA 0.214 4.764 4.550 -0.000 0.000 0.278 547 Y C 1.997 177.922 175.900 0.042 0.000 1.130 547 Y CA 1.095 59.230 58.100 0.059 0.000 1.260 547 Y CB 0.324 38.780 38.460 -0.007 0.000 1.369 547 Y HN 0.147 nan 8.280 nan 0.000 0.499 548 S N -0.149 115.531 115.700 -0.034 0.000 2.556 548 S HA 0.237 4.707 4.470 -0.000 0.000 0.216 548 S C 1.221 175.898 174.600 0.128 0.000 0.970 548 S CA 0.547 58.685 58.200 -0.103 0.000 0.912 548 S CB 0.011 63.124 63.200 -0.145 0.000 0.790 548 S HN 0.792 nan 8.310 nan 0.000 0.504 549 G N 2.235 111.144 108.800 0.182 0.000 2.246 549 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.273 549 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.273 549 G C -0.184 174.881 174.900 0.276 0.000 1.055 549 G CA -0.158 45.108 45.100 0.277 0.000 0.851 549 G HN 0.414 nan 8.290 nan 0.000 0.500 550 I N 1.350 122.073 120.570 0.255 0.000 2.354 550 I HA 0.340 4.510 4.170 -0.000 0.000 0.292 550 I C -1.822 174.461 176.117 0.276 0.000 0.989 550 I CA -3.227 58.252 61.300 0.299 0.000 1.188 550 I CB 1.294 39.537 38.000 0.405 0.000 1.342 550 I HN -0.070 nan 8.210 nan 0.000 0.457 551 P HA 0.247 nan 4.420 nan 0.000 0.268 551 P C -0.885 176.517 177.300 0.170 0.000 1.204 551 P CA -0.151 63.070 63.100 0.202 0.000 0.768 551 P CB 1.308 33.137 31.700 0.214 0.000 0.842 552 A N 3.274 126.158 122.820 0.107 0.000 2.455 552 A HA 0.571 4.891 4.320 -0.000 0.000 0.300 552 A C -0.969 176.610 177.584 -0.009 0.000 1.040 552 A CA -0.754 51.334 52.037 0.085 0.000 0.697 552 A CB 1.841 20.965 19.000 0.206 0.000 1.265 552 A HN 0.417 nan 8.150 nan 0.000 0.407 553 V N 1.230 121.117 119.914 -0.045 0.000 3.093 553 V HA 0.919 5.039 4.120 -0.000 0.000 0.320 553 V C 0.007 176.059 176.094 -0.069 0.000 1.093 553 V CA 0.249 62.528 62.300 -0.035 0.000 1.016 553 V CB 2.174 34.014 31.823 0.028 0.000 1.096 553 V HN 1.525 nan 8.190 nan 0.000 0.452 554 S N 3.682 119.339 115.700 -0.072 0.000 2.333 554 S HA 0.386 4.856 4.470 -0.000 0.000 0.208 554 S C -0.942 173.516 174.600 -0.237 0.000 0.911 554 S CA -0.695 57.372 58.200 -0.221 0.000 1.075 554 S CB -0.061 63.036 63.200 -0.170 0.000 1.293 554 S HN 0.907 nan 8.310 nan 0.000 0.396 555 F N 1.646 121.513 119.950 -0.139 0.000 2.368 555 F HA 0.911 5.438 4.527 -0.000 0.000 0.315 555 F C 0.234 175.849 175.800 -0.308 0.000 1.145 555 F CA -1.365 56.434 58.000 -0.336 0.000 1.095 555 F CB 0.378 39.157 39.000 -0.368 0.000 1.286 555 F HN 0.471 nan 8.300 nan 0.000 0.530 556 C N 2.553 121.748 119.300 -0.175 0.000 2.871 556 C HA 0.444 4.904 4.460 -0.000 0.000 0.378 556 C C -0.710 174.229 174.990 -0.086 0.000 1.052 556 C CA -1.089 57.890 59.018 -0.065 0.000 1.250 556 C CB -0.415 27.260 27.740 -0.110 0.000 1.689 556 C HN 0.830 nan 8.230 nan 0.000 0.506 557 F N 4.661 124.709 119.950 0.163 0.000 2.783 557 F HA 0.237 4.764 4.527 -0.000 0.000 0.338 557 F C 1.647 177.503 175.800 0.092 0.000 1.178 557 F CA -0.007 58.103 58.000 0.185 0.000 1.343 557 F CB -0.301 38.782 39.000 0.138 0.000 1.496 557 F HN 0.672 nan 8.300 nan 0.000 0.583 558 C N 0.709 120.091 119.300 0.137 0.000 2.883 558 C HA 0.038 4.498 4.460 -0.000 0.000 0.347 558 C C 0.752 175.807 174.990 0.108 0.000 1.361 558 C CA -0.110 58.961 59.018 0.087 0.000 2.102 558 C CB 0.126 27.868 27.740 0.004 0.000 2.496 558 C HN 0.437 nan 8.230 nan 0.000 0.758 559 E N -0.160 120.082 120.200 0.070 0.000 2.392 559 E HA 0.207 4.557 4.350 -0.000 0.000 0.269 559 E C 0.076 176.686 176.600 0.018 0.000 0.924 559 E CA -0.427 56.008 56.400 0.058 0.000 0.784 559 E CB 1.176 30.910 29.700 0.056 0.000 1.292 559 E HN 0.512 nan 8.360 nan 0.000 0.447 560 D N -0.006 120.400 120.400 0.011 0.000 2.182 560 D HA -0.082 4.558 4.640 -0.000 0.000 0.201 560 D C -0.004 176.273 176.300 -0.040 0.000 0.986 560 D CA 1.475 55.469 54.000 -0.010 0.000 0.847 560 D CB 0.197 40.995 40.800 -0.004 0.000 0.942 560 D HN 0.137 nan 8.370 nan 0.000 0.467 561 T N 1.018 115.541 114.554 -0.052 0.000 2.797 561 T HA 0.314 4.664 4.350 -0.000 0.000 0.279 561 T C -0.791 173.849 174.700 -0.100 0.000 0.991 561 T CA -1.019 61.016 62.100 -0.108 0.000 0.979 561 T CB 1.468 70.255 68.868 -0.135 0.000 0.943 561 T HN 0.019 nan 8.240 nan 0.000 0.444 562 D N 1.050 121.367 120.400 -0.138 0.000 2.414 562 D HA 0.050 4.690 4.640 -0.000 0.000 0.242 562 D C -0.176 176.114 176.300 -0.018 0.000 1.129 562 D CA -0.499 53.468 54.000 -0.056 0.000 0.885 562 D CB 0.209 40.978 40.800 -0.052 0.000 1.198 562 D HN 0.458 nan 8.370 nan 0.000 0.437 563 Y N 2.566 122.827 120.300 -0.064 0.000 2.895 563 Y HA -0.019 4.530 4.550 -0.000 0.000 0.334 563 Y C -1.109 174.782 175.900 -0.015 0.000 1.261 563 Y CA -0.886 57.169 58.100 -0.076 0.000 1.560 563 Y CB 0.649 39.093 38.460 -0.026 0.000 1.253 563 Y HN 0.393 nan 8.280 nan 0.000 0.582 564 P HA -0.170 nan 4.420 nan 0.000 0.215 564 P C 0.981 178.419 177.300 0.230 0.000 1.160 564 P CA 1.680 64.829 63.100 0.081 0.000 0.869 564 P CB -0.083 31.566 31.700 -0.086 0.000 0.782 565 Y N -0.640 119.694 120.300 0.056 0.000 2.556 565 Y HA -0.141 4.409 4.550 -0.000 0.000 0.290 565 Y C 2.529 178.638 175.900 0.349 0.000 1.149 565 Y CA -0.869 57.348 58.100 0.194 0.000 1.329 565 Y CB -0.898 37.670 38.460 0.180 0.000 0.975 565 Y HN -0.147 nan 8.280 nan 0.000 0.561 566 L N 0.730 122.299 121.223 0.578 0.000 2.012 566 L HA -0.273 4.067 4.340 -0.000 0.000 0.236 566 L C 2.315 179.389 176.870 0.339 0.000 1.099 566 L CA 2.409 57.503 54.840 0.424 0.000 0.821 566 L CB -1.169 41.092 42.059 0.335 0.000 0.918 566 L HN 0.243 nan 8.230 nan 0.000 0.445 567 G N -2.452 106.529 108.800 0.301 0.000 3.327 567 G HA2 0.189 4.148 3.960 -0.000 0.000 0.240 567 G HA3 0.189 4.148 3.960 -0.000 0.000 0.240 567 G C 0.350 175.505 174.900 0.425 0.000 1.222 567 G CA 0.669 45.958 45.100 0.316 0.000 0.871 567 G HN 0.411 nan 8.290 nan 0.000 0.525 568 T N -1.665 113.162 114.554 0.454 0.000 2.907 568 T HA 0.382 4.732 4.350 -0.000 0.000 0.290 568 T C 1.803 176.764 174.700 0.435 0.000 1.066 568 T CA 0.384 62.800 62.100 0.528 0.000 1.012 568 T CB 1.355 70.466 68.868 0.405 0.000 1.184 568 T HN 0.078 nan 8.240 nan 0.000 0.522 569 T N 0.791 115.561 114.554 0.359 0.000 3.118 569 T HA -0.029 4.321 4.350 -0.000 0.000 0.269 569 T C 1.517 176.273 174.700 0.094 0.000 1.166 569 T CA 0.974 63.151 62.100 0.130 0.000 1.073 569 T CB -0.460 68.418 68.868 0.017 0.000 0.884 569 T HN 0.538 nan 8.240 nan 0.000 0.550 570 M N 0.908 120.580 119.600 0.120 0.000 2.428 570 M HA 0.179 4.659 4.480 -0.000 0.000 0.239 570 M C 0.771 177.145 176.300 0.123 0.000 1.121 570 M CA 0.099 55.386 55.300 -0.021 0.000 1.019 570 M CB 0.241 32.661 32.600 -0.300 0.000 1.485 570 M HN -0.053 nan 8.290 nan 0.000 0.484 571 D N 2.131 122.697 120.400 0.276 0.000 2.911 571 D HA -0.018 4.622 4.640 -0.000 0.000 0.233 571 D C -0.138 176.313 176.300 0.253 0.000 1.134 571 D CA 0.210 54.427 54.000 0.361 0.000 1.011 571 D CB -0.187 40.799 40.800 0.311 0.000 1.174 571 D HN 0.307 nan 8.370 nan 0.000 0.440 572 T N -2.570 112.112 114.554 0.213 0.000 2.904 572 T HA 0.046 4.395 4.350 -0.000 0.000 0.290 572 T C 1.251 176.078 174.700 0.211 0.000 1.018 572 T CA -0.777 61.430 62.100 0.178 0.000 1.075 572 T CB 1.010 69.947 68.868 0.116 0.000 0.986 572 T HN 0.197 nan 8.240 nan 0.000 0.523 573 Y N 1.684 122.049 120.300 0.108 0.000 2.333 573 Y HA -0.008 4.542 4.550 -0.000 0.000 0.290 573 Y C 2.144 178.111 175.900 0.110 0.000 1.144 573 Y CA 1.330 59.492 58.100 0.104 0.000 1.228 573 Y CB -0.231 38.276 38.460 0.078 0.000 0.985 573 Y HN 0.667 nan 8.280 nan 0.000 0.542 574 K N -0.024 120.412 120.400 0.059 0.000 1.974 574 K HA -0.128 4.191 4.320 -0.000 0.000 0.211 574 K C 1.880 178.471 176.600 -0.015 0.000 1.039 574 K CA 1.264 57.541 56.287 -0.016 0.000 0.947 574 K CB -0.248 32.296 32.500 0.073 0.000 0.735 574 K HN 0.142 nan 8.250 nan 0.000 0.441 575 E N 1.262 121.506 120.200 0.073 0.000 2.339 575 E HA -0.207 4.143 4.350 -0.000 0.000 0.201 575 E C 1.854 178.599 176.600 0.242 0.000 1.015 575 E CA 0.734 57.231 56.400 0.162 0.000 0.841 575 E CB -0.172 29.612 29.700 0.140 0.000 0.754 575 E HN 0.163 nan 8.360 nan 0.000 0.508 576 L N 0.398 121.731 121.223 0.182 0.000 2.013 576 L HA 0.013 4.353 4.340 -0.000 0.000 0.204 576 L C 2.276 179.167 176.870 0.035 0.000 1.081 576 L CA 1.280 56.242 54.840 0.204 0.000 0.751 576 L CB -0.592 41.535 42.059 0.114 0.000 0.901 576 L HN 0.059 nan 8.230 nan 0.000 0.440 577 I N -0.520 119.947 120.570 -0.171 0.000 2.657 577 I HA -0.271 3.898 4.170 -0.000 0.000 0.261 577 I C 2.237 178.309 176.117 -0.074 0.000 1.212 577 I CA 1.304 62.492 61.300 -0.187 0.000 1.453 577 I CB -0.099 37.646 38.000 -0.425 0.000 1.092 577 I HN 0.575 nan 8.210 nan 0.000 0.452 578 E N 0.638 120.819 120.200 -0.032 0.000 2.285 578 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 578 E C 1.717 178.333 176.600 0.027 0.000 0.997 578 E CA 0.393 56.798 56.400 0.008 0.000 0.845 578 E CB 0.222 29.942 29.700 0.035 0.000 0.782 578 E HN 0.478 nan 8.360 nan 0.000 0.491 579 R N -0.235 120.290 120.500 0.042 0.000 2.432 579 R HA 0.316 4.656 4.340 -0.000 0.000 0.260 579 R C 0.561 176.888 176.300 0.044 0.000 0.935 579 R CA 0.046 56.167 56.100 0.035 0.000 1.080 579 R CB 0.866 31.174 30.300 0.012 0.000 1.155 579 R HN 0.076 nan 8.270 nan 0.000 0.531 580 I N 0.122 120.712 120.570 0.034 0.000 2.719 580 I HA 0.164 4.334 4.170 -0.000 0.000 0.319 580 I C -2.312 173.809 176.117 0.007 0.000 1.522 580 I CA -1.758 59.561 61.300 0.031 0.000 0.785 580 I CB 1.221 39.256 38.000 0.057 0.000 2.022 580 I HN -0.142 nan 8.210 nan 0.000 0.579 581 P HA -0.280 nan 4.420 nan 0.000 0.232 581 P C 0.648 177.946 177.300 -0.003 0.000 1.135 581 P CA 1.864 64.962 63.100 -0.004 0.000 0.969 581 P CB -0.007 31.692 31.700 -0.001 0.000 0.777 582 E N -0.454 119.742 120.200 -0.006 0.000 2.349 582 E HA 0.039 4.389 4.350 -0.000 0.000 0.201 582 E C 1.432 178.026 176.600 -0.010 0.000 1.087 582 E CA -0.310 56.083 56.400 -0.011 0.000 1.128 582 E CB -0.864 28.823 29.700 -0.023 0.000 1.188 582 E HN 0.171 nan 8.360 nan 0.000 0.445 583 L N 1.471 122.698 121.223 0.005 0.000 2.171 583 L HA -0.327 4.013 4.340 -0.000 0.000 0.216 583 L C 1.784 178.686 176.870 0.053 0.000 1.084 583 L CA 2.316 57.171 54.840 0.024 0.000 0.771 583 L CB -0.882 41.200 42.059 0.038 0.000 0.890 583 L HN 0.215 nan 8.230 nan 0.000 0.437 584 N N -0.784 117.950 118.700 0.057 0.000 2.039 584 N HA -0.202 4.538 4.740 -0.000 0.000 0.193 584 N C 1.832 177.354 175.510 0.020 0.000 1.044 584 N CA 1.482 54.572 53.050 0.065 0.000 0.847 584 N CB -0.092 38.403 38.487 0.013 0.000 1.030 584 N HN 0.179 nan 8.380 nan 0.000 0.422 585 K N 0.286 120.663 120.400 -0.038 0.000 2.074 585 K HA -0.093 4.227 4.320 -0.000 0.000 0.209 585 K C 2.025 178.559 176.600 -0.110 0.000 1.048 585 K CA 0.899 57.140 56.287 -0.076 0.000 0.926 585 K CB -0.833 31.619 32.500 -0.080 0.000 0.713 585 K HN 0.134 nan 8.250 nan 0.000 0.444 586 V N 1.460 121.283 119.914 -0.151 0.000 2.233 586 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 586 V C 2.525 178.489 176.094 -0.217 0.000 1.050 586 V CA 2.160 64.249 62.300 -0.351 0.000 1.010 586 V CB -1.020 30.622 31.823 -0.303 0.000 0.637 586 V HN 0.322 nan 8.190 nan 0.000 0.444 587 A N 0.334 123.165 122.820 0.019 0.000 1.948 587 A HA -0.294 4.026 4.320 -0.000 0.000 0.220 587 A C 2.414 180.193 177.584 0.324 0.000 1.177 587 A CA 2.196 54.333 52.037 0.166 0.000 0.636 587 A CB -0.662 18.492 19.000 0.256 0.000 0.815 587 A HN 0.448 nan 8.150 nan 0.000 0.449 588 R N 0.204 120.946 120.500 0.404 0.000 2.080 588 R HA -0.157 4.183 4.340 -0.000 0.000 0.236 588 R C 2.264 178.684 176.300 0.200 0.000 1.137 588 R CA 2.034 58.381 56.100 0.411 0.000 0.943 588 R CB -1.008 29.296 30.300 0.006 0.000 0.846 588 R HN 0.418 nan 8.270 nan 0.000 0.431 589 A N 1.098 123.935 122.820 0.030 0.000 1.859 589 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 589 A C 2.530 180.177 177.584 0.106 0.000 1.198 589 A CA 2.580 54.626 52.037 0.014 0.000 0.629 589 A CB -1.146 17.799 19.000 -0.092 0.000 0.830 589 A HN 0.580 nan 8.150 nan 0.000 0.446 590 A N -0.317 122.660 122.820 0.261 0.000 1.927 590 A HA 0.031 4.351 4.320 -0.000 0.000 0.220 590 A C 2.471 180.112 177.584 0.095 0.000 1.185 590 A CA 2.575 54.763 52.037 0.252 0.000 0.639 590 A CB -1.086 18.212 19.000 0.497 0.000 0.820 590 A HN 1.291 nan 8.150 nan 0.000 0.451 591 A N -0.933 121.962 122.820 0.126 0.000 2.121 591 A HA -0.058 4.261 4.320 -0.000 0.000 0.218 591 A C 1.927 179.568 177.584 0.094 0.000 1.154 591 A CA 1.682 53.780 52.037 0.102 0.000 0.679 591 A CB -0.367 18.688 19.000 0.092 0.000 0.795 591 A HN 0.734 nan 8.150 nan 0.000 0.458 592 E N 0.069 120.288 120.200 0.032 0.000 2.060 592 E HA -0.098 4.252 4.350 -0.000 0.000 0.189 592 E C 1.968 178.500 176.600 -0.114 0.000 0.974 592 E CA 1.314 57.704 56.400 -0.016 0.000 0.808 592 E CB -0.148 29.534 29.700 -0.031 0.000 0.768 592 E HN 0.449 nan 8.360 nan 0.000 0.453 593 V N -0.501 119.226 119.914 -0.312 0.000 2.407 593 V HA -0.118 4.002 4.120 -0.000 0.000 0.248 593 V C 2.301 177.924 176.094 -0.785 0.000 1.055 593 V CA 1.706 63.650 62.300 -0.593 0.000 1.049 593 V CB -0.988 30.295 31.823 -0.900 0.000 0.662 593 V HN 0.326 nan 8.190 nan 0.000 0.455 594 A N 1.314 123.876 122.820 -0.430 0.000 1.898 594 A HA 0.088 4.408 4.320 -0.000 0.000 0.216 594 A C 2.392 180.018 177.584 0.070 0.000 1.181 594 A CA 1.940 53.939 52.037 -0.063 0.000 0.620 594 A CB -1.489 17.665 19.000 0.256 0.000 0.819 594 A HN 0.705 nan 8.150 nan 0.000 0.442 595 G N -0.947 107.950 108.800 0.161 0.000 2.433 595 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.216 595 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.216 595 G C 1.607 176.763 174.900 0.426 0.000 1.186 595 G CA 0.955 46.313 45.100 0.429 0.000 0.779 595 G HN 0.595 nan 8.290 nan 0.000 0.543 596 Q N -0.714 119.259 119.800 0.289 0.000 2.096 596 Q HA -0.121 4.219 4.340 -0.000 0.000 0.204 596 Q C 2.426 178.715 176.000 0.481 0.000 0.982 596 Q CA 1.085 57.154 55.803 0.443 0.000 0.850 596 Q CB -0.274 28.730 28.738 0.445 0.000 0.901 596 Q HN 0.436 nan 8.270 nan 0.000 0.422 597 F N 0.085 120.146 119.950 0.186 0.000 2.091 597 F HA -0.240 4.287 4.527 -0.000 0.000 0.299 597 F C 2.369 178.245 175.800 0.127 0.000 1.103 597 F CA 0.830 58.904 58.000 0.123 0.000 1.228 597 F CB -1.183 37.883 39.000 0.109 0.000 0.984 597 F HN -0.097 nan 8.300 nan 0.000 0.477 598 V N 0.492 120.599 119.914 0.321 0.000 2.261 598 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 598 V C 2.480 178.742 176.094 0.280 0.000 1.047 598 V CA 1.788 64.166 62.300 0.129 0.000 1.015 598 V CB -0.728 30.939 31.823 -0.261 0.000 0.642 598 V HN 0.234 nan 8.190 nan 0.000 0.446 599 I N -0.461 120.377 120.570 0.447 0.000 2.118 599 I HA -0.258 3.912 4.170 -0.000 0.000 0.241 599 I C 2.716 179.121 176.117 0.479 0.000 1.070 599 I CA 1.545 63.162 61.300 0.529 0.000 1.327 599 I CB -0.580 37.710 38.000 0.483 0.000 1.034 599 I HN 0.236 nan 8.210 nan 0.000 0.405 600 K N 0.961 121.588 120.400 0.379 0.000 2.032 600 K HA -0.121 4.199 4.320 -0.000 0.000 0.209 600 K C 1.990 178.692 176.600 0.169 0.000 1.048 600 K CA 1.496 57.897 56.287 0.189 0.000 0.927 600 K CB -0.686 31.823 32.500 0.014 0.000 0.712 600 K HN 0.372 nan 8.250 nan 0.000 0.441 601 L N 1.003 122.353 121.223 0.211 0.000 2.622 601 L HA -0.082 4.258 4.340 -0.000 0.000 0.233 601 L C 1.432 178.479 176.870 0.294 0.000 1.156 601 L CA 0.716 55.706 54.840 0.249 0.000 0.866 601 L CB -0.264 42.016 42.059 0.367 0.000 0.980 601 L HN 0.201 nan 8.230 nan 0.000 0.448 602 T N -4.147 110.580 114.554 0.288 0.000 3.115 602 T HA -0.052 4.298 4.350 -0.000 0.000 0.256 602 T C 1.620 176.486 174.700 0.277 0.000 0.970 602 T CA 0.058 62.327 62.100 0.282 0.000 1.010 602 T CB -0.170 68.885 68.868 0.312 0.000 1.151 602 T HN 0.352 nan 8.240 nan 0.000 0.479 603 H N 2.293 121.543 119.070 0.301 0.000 2.278 603 H HA -0.150 4.406 4.556 -0.000 0.000 0.287 603 H C -0.390 175.027 175.328 0.148 0.000 1.107 603 H CA 1.935 58.152 56.048 0.282 0.000 1.192 603 H CB -0.266 29.674 29.762 0.296 0.000 1.346 603 H HN 0.350 nan 8.280 nan 0.000 0.478 604 D N -0.379 119.789 120.400 -0.387 0.000 2.340 604 D HA 0.128 4.768 4.640 -0.000 0.000 0.251 604 D C 1.077 177.284 176.300 -0.155 0.000 1.080 604 D CA 0.156 53.906 54.000 -0.416 0.000 0.971 604 D CB 2.357 42.854 40.800 -0.506 0.000 1.137 604 D HN 0.109 nan 8.370 nan 0.000 0.475 605 V N 0.080 119.927 119.914 -0.112 0.000 2.719 605 V HA -0.069 4.051 4.120 -0.000 0.000 0.252 605 V C -0.153 175.912 176.094 -0.048 0.000 1.065 605 V CA 1.272 63.544 62.300 -0.047 0.000 1.086 605 V CB -0.382 31.434 31.823 -0.011 0.000 0.700 605 V HN 0.460 nan 8.190 nan 0.000 0.467 606 E N 1.770 121.910 120.200 -0.100 0.000 2.229 606 E HA 0.299 4.649 4.350 -0.000 0.000 0.283 606 E C -0.256 176.236 176.600 -0.181 0.000 1.030 606 E CA -0.340 55.977 56.400 -0.139 0.000 0.836 606 E CB 0.851 30.383 29.700 -0.280 0.000 1.068 606 E HN 0.150 nan 8.360 nan 0.000 0.401 607 L N 4.038 125.175 121.223 -0.144 0.000 2.565 607 L HA 0.091 4.430 4.340 -0.000 0.000 0.275 607 L C -0.677 176.084 176.870 -0.181 0.000 1.137 607 L CA 0.197 54.910 54.840 -0.212 0.000 0.915 607 L CB -0.292 41.637 42.059 -0.216 0.000 1.232 607 L HN 0.511 nan 8.230 nan 0.000 0.473 608 N N 7.335 125.930 118.700 -0.174 0.000 2.663 608 N HA 0.266 5.005 4.740 -0.000 0.000 0.250 608 N C -0.631 174.833 175.510 -0.076 0.000 1.129 608 N CA 0.037 53.000 53.050 -0.145 0.000 0.995 608 N CB 0.633 39.027 38.487 -0.155 0.000 1.324 608 N HN 0.563 nan 8.380 nan 0.000 0.512 609 L N 0.795 122.010 121.223 -0.012 0.000 2.386 609 L HA 0.323 4.663 4.340 -0.000 0.000 0.271 609 L C -0.195 176.691 176.870 0.027 0.000 0.993 609 L CA -0.919 53.952 54.840 0.053 0.000 0.819 609 L CB 2.092 44.240 42.059 0.148 0.000 1.294 609 L HN 0.107 nan 8.230 nan 0.000 0.414 610 D N 1.740 122.135 120.400 -0.010 0.000 2.597 610 D HA 0.018 4.658 4.640 -0.000 0.000 0.228 610 D C 0.825 177.115 176.300 -0.018 0.000 1.120 610 D CA 0.135 54.077 54.000 -0.097 0.000 1.083 610 D CB -0.042 40.736 40.800 -0.037 0.000 1.116 610 D HN 0.370 nan 8.370 nan 0.000 0.487 611 Y N -0.581 119.806 120.300 0.145 0.000 2.639 611 Y HA 0.019 4.569 4.550 -0.000 0.000 0.297 611 Y C 1.318 177.350 175.900 0.221 0.000 1.151 611 Y CA 0.266 58.507 58.100 0.235 0.000 1.335 611 Y CB -0.551 38.024 38.460 0.192 0.000 0.994 611 Y HN 0.153 nan 8.280 nan 0.000 0.548 612 E N 0.948 121.055 120.200 -0.155 0.000 2.051 612 E HA -0.136 4.214 4.350 -0.000 0.000 0.189 612 E C 1.779 178.386 176.600 0.012 0.000 0.979 612 E CA 0.879 57.231 56.400 -0.080 0.000 0.803 612 E CB -0.201 29.377 29.700 -0.203 0.000 0.761 612 E HN 0.466 nan 8.360 nan 0.000 0.451 613 E N 0.449 120.628 120.200 -0.036 0.000 2.352 613 E HA -0.230 4.120 4.350 -0.000 0.000 0.203 613 E C 1.526 178.036 176.600 -0.150 0.000 1.024 613 E CA 1.145 57.487 56.400 -0.097 0.000 0.842 613 E CB -0.251 29.362 29.700 -0.145 0.000 0.753 613 E HN 0.481 nan 8.360 nan 0.000 0.508 614 Y N 0.641 120.942 120.300 0.001 0.000 2.519 614 Y HA -0.023 4.527 4.550 -0.000 0.000 0.287 614 Y C 2.170 178.071 175.900 0.001 0.000 1.128 614 Y CA 0.390 58.429 58.100 -0.103 0.000 1.282 614 Y CB 0.162 38.560 38.460 -0.105 0.000 1.027 614 Y HN 0.024 nan 8.280 nan 0.000 0.551 615 N N -0.570 118.266 118.700 0.225 0.000 2.106 615 N HA -0.150 4.590 4.740 -0.000 0.000 0.188 615 N C 1.910 177.530 175.510 0.183 0.000 1.029 615 N CA 1.598 54.773 53.050 0.210 0.000 0.848 615 N CB -0.298 38.163 38.487 -0.043 0.000 1.007 615 N HN 0.199 nan 8.380 nan 0.000 0.423 616 S N 1.292 117.053 115.700 0.102 0.000 2.348 616 S HA -0.100 4.370 4.470 -0.000 0.000 0.221 616 S C 1.841 176.493 174.600 0.087 0.000 1.033 616 S CA 0.883 59.137 58.200 0.090 0.000 1.010 616 S CB -0.283 62.934 63.200 0.029 0.000 0.891 616 S HN 0.306 nan 8.310 nan 0.000 0.442 617 Q N 0.413 120.222 119.800 0.014 0.000 2.173 617 Q HA -0.096 4.244 4.340 -0.000 0.000 0.208 617 Q C 2.173 178.332 176.000 0.266 0.000 0.989 617 Q CA 1.067 56.907 55.803 0.061 0.000 0.872 617 Q CB -0.627 27.960 28.738 -0.251 0.000 0.909 617 Q HN 0.359 nan 8.270 nan 0.000 0.420 618 L N 0.170 121.543 121.223 0.249 0.000 2.095 618 L HA -0.052 4.288 4.340 -0.000 0.000 0.204 618 L C 2.231 179.249 176.870 0.247 0.000 1.080 618 L CA 1.113 56.128 54.840 0.292 0.000 0.759 618 L CB -0.840 41.357 42.059 0.231 0.000 0.914 618 L HN 0.245 nan 8.230 nan 0.000 0.439 619 L N -1.761 119.584 121.223 0.203 0.000 2.046 619 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 619 L C 2.579 179.518 176.870 0.115 0.000 1.077 619 L CA 1.793 56.724 54.840 0.151 0.000 0.747 619 L CB -0.469 41.689 42.059 0.165 0.000 0.896 619 L HN 0.303 nan 8.230 nan 0.000 0.432 620 S N -0.645 115.137 115.700 0.137 0.000 2.374 620 S HA -0.277 4.193 4.470 -0.000 0.000 0.227 620 S C 1.878 176.553 174.600 0.125 0.000 1.037 620 S CA 1.739 60.009 58.200 0.117 0.000 1.024 620 S CB -0.675 62.600 63.200 0.125 0.000 0.861 620 S HN 0.626 nan 8.310 nan 0.000 0.456 621 F N 2.492 122.436 119.950 -0.010 0.000 2.051 621 F HA -0.088 4.439 4.527 -0.000 0.000 0.296 621 F C 2.139 177.903 175.800 -0.061 0.000 1.122 621 F CA 1.804 59.763 58.000 -0.067 0.000 1.201 621 F CB -1.114 37.793 39.000 -0.154 0.000 0.978 621 F HN 0.064 nan 8.300 nan 0.000 0.472 622 V N 1.704 121.446 119.914 -0.287 0.000 2.278 622 V HA -0.376 3.744 4.120 -0.000 0.000 0.251 622 V C 2.725 178.639 176.094 -0.300 0.000 1.062 622 V CA 2.228 64.255 62.300 -0.454 0.000 1.038 622 V CB -0.913 30.725 31.823 -0.308 0.000 0.646 622 V HN 0.297 nan 8.190 nan 0.000 0.447 623 R N 0.115 120.537 120.500 -0.129 0.000 2.096 623 R HA -0.189 4.151 4.340 -0.000 0.000 0.229 623 R C 2.176 178.445 176.300 -0.052 0.000 1.134 623 R CA 1.972 58.040 56.100 -0.053 0.000 0.917 623 R CB -1.456 28.846 30.300 0.004 0.000 0.832 623 R HN 0.560 nan 8.270 nan 0.000 0.430 624 D N 0.840 121.225 120.400 -0.026 0.000 2.203 624 D HA -0.177 4.463 4.640 -0.000 0.000 0.199 624 D C 1.814 178.169 176.300 0.091 0.000 0.997 624 D CA 0.830 54.857 54.000 0.046 0.000 0.863 624 D CB -0.053 40.796 40.800 0.081 0.000 0.928 624 D HN 0.060 nan 8.370 nan 0.000 0.458 625 L N 0.717 121.864 121.223 -0.127 0.000 2.156 625 L HA -0.008 4.332 4.340 -0.000 0.000 0.208 625 L C 1.571 178.485 176.870 0.074 0.000 1.095 625 L CA 1.348 56.118 54.840 -0.117 0.000 0.770 625 L CB -0.707 41.018 42.059 -0.556 0.000 0.914 625 L HN -0.062 nan 8.230 nan 0.000 0.439 626 N N -0.175 118.523 118.700 -0.004 0.000 2.520 626 N HA -0.132 4.608 4.740 -0.000 0.000 0.185 626 N C 1.420 176.933 175.510 0.006 0.000 1.068 626 N CA 0.627 53.697 53.050 0.034 0.000 0.911 626 N CB -0.097 38.408 38.487 0.030 0.000 0.961 626 N HN 0.607 nan 8.380 nan 0.000 0.446 627 Q N -0.738 119.037 119.800 -0.041 0.000 2.515 627 Q HA -0.045 4.294 4.340 -0.000 0.000 0.212 627 Q C 0.145 175.827 176.000 -0.530 0.000 0.970 627 Q CA 0.691 56.321 55.803 -0.289 0.000 0.941 627 Q CB 0.085 28.580 28.738 -0.404 0.000 0.998 627 Q HN 0.532 nan 8.270 nan 0.000 0.518 628 Y N -1.508 118.758 120.300 -0.057 0.000 2.682 628 Y HA 0.265 4.815 4.550 -0.000 0.000 0.251 628 Y C 1.542 177.411 175.900 -0.052 0.000 1.172 628 Y CA -0.620 57.435 58.100 -0.075 0.000 1.186 628 Y CB 0.245 38.641 38.460 -0.106 0.000 1.216 628 Y HN -0.069 nan 8.280 nan 0.000 0.540 629 R N 0.825 121.366 120.500 0.068 0.000 2.211 629 R HA -0.222 4.118 4.340 -0.000 0.000 0.240 629 R C 2.109 178.433 176.300 0.039 0.000 1.144 629 R CA 1.277 57.416 56.100 0.066 0.000 0.992 629 R CB -0.028 30.299 30.300 0.046 0.000 0.869 629 R HN 0.453 nan 8.270 nan 0.000 0.462 630 A N 0.864 123.688 122.820 0.006 0.000 1.855 630 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 630 A C 1.691 179.270 177.584 -0.008 0.000 1.191 630 A CA 1.644 53.674 52.037 -0.010 0.000 0.613 630 A CB -0.441 18.536 19.000 -0.039 0.000 0.829 630 A HN 0.292 nan 8.150 nan 0.000 0.442 631 D N 0.163 120.553 120.400 -0.018 0.000 2.097 631 D HA -0.134 4.506 4.640 -0.000 0.000 0.195 631 D C 1.910 178.193 176.300 -0.028 0.000 0.989 631 D CA 1.208 55.167 54.000 -0.068 0.000 0.827 631 D CB -0.280 40.431 40.800 -0.148 0.000 0.966 631 D HN 0.296 nan 8.370 nan 0.000 0.456 632 I N 1.183 121.772 120.570 0.032 0.000 2.399 632 I HA -0.212 3.958 4.170 -0.000 0.000 0.254 632 I C 2.275 178.452 176.117 0.100 0.000 1.146 632 I CA 1.041 62.407 61.300 0.109 0.000 1.412 632 I CB -0.709 37.386 38.000 0.158 0.000 1.076 632 I HN -0.045 nan 8.210 nan 0.000 0.432 633 K N 1.066 121.503 120.400 0.061 0.000 2.098 633 K HA -0.071 4.249 4.320 -0.000 0.000 0.203 633 K C 1.881 178.508 176.600 0.045 0.000 1.051 633 K CA 0.822 57.141 56.287 0.053 0.000 0.957 633 K CB 0.009 32.529 32.500 0.033 0.000 0.738 633 K HN 0.347 nan 8.250 nan 0.000 0.447 634 E N 0.129 120.345 120.200 0.026 0.000 2.130 634 E HA -0.133 4.217 4.350 -0.000 0.000 0.196 634 E C 0.454 177.082 176.600 0.048 0.000 0.998 634 E CA 0.848 57.262 56.400 0.023 0.000 0.806 634 E CB -0.009 29.690 29.700 -0.002 0.000 0.738 634 E HN 0.262 nan 8.360 nan 0.000 0.459 635 M N -0.401 119.240 119.600 0.068 0.000 2.274 635 M HA 0.145 4.624 4.480 -0.000 0.000 0.344 635 M C 1.361 177.728 176.300 0.112 0.000 1.161 635 M CA -0.145 55.220 55.300 0.108 0.000 1.126 635 M CB 1.240 33.939 32.600 0.164 0.000 1.522 635 M HN -0.005 nan 8.290 nan 0.000 0.461 636 G N 2.781 111.647 108.800 0.110 0.000 2.564 636 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.216 636 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.216 636 G C 0.623 175.604 174.900 0.135 0.000 1.124 636 G CA 0.003 45.167 45.100 0.106 0.000 0.764 636 G HN 0.591 nan 8.290 nan 0.000 0.550 637 L N 1.051 122.372 121.223 0.165 0.000 2.653 637 L HA -0.038 4.302 4.340 -0.000 0.000 0.288 637 L C 1.835 178.825 176.870 0.199 0.000 1.243 637 L CA 0.053 55.013 54.840 0.200 0.000 0.906 637 L CB 0.692 42.898 42.059 0.246 0.000 1.154 637 L HN 0.176 nan 8.230 nan 0.000 0.498 638 S N 3.193 119.046 115.700 0.255 0.000 2.483 638 S HA 0.004 4.473 4.470 -0.000 0.000 0.221 638 S C 1.371 176.106 174.600 0.225 0.000 1.030 638 S CA 0.257 58.587 58.200 0.217 0.000 0.925 638 S CB -0.133 63.209 63.200 0.238 0.000 0.795 638 S HN 0.633 nan 8.310 nan 0.000 0.511 639 L N 0.985 122.389 121.223 0.301 0.000 4.312 639 L HA -0.299 4.041 4.340 -0.000 0.000 0.427 639 L C 1.165 178.265 176.870 0.382 0.000 1.149 639 L CA 1.568 56.593 54.840 0.308 0.000 0.978 639 L CB -1.069 41.160 42.059 0.284 0.000 1.963 639 L HN 0.500 nan 8.230 nan 0.000 0.970 640 Q N -0.857 119.101 119.800 0.264 0.000 2.163 640 Q HA -0.104 4.236 4.340 -0.000 0.000 0.198 640 Q C 1.705 177.784 176.000 0.131 0.000 0.954 640 Q CA 1.983 57.850 55.803 0.106 0.000 0.851 640 Q CB -0.235 28.435 28.738 -0.113 0.000 0.928 640 Q HN 0.690 nan 8.270 nan 0.000 0.459 641 W N 0.146 121.544 121.300 0.163 0.000 2.392 641 W HA -0.129 4.531 4.660 -0.000 0.000 0.279 641 W C 1.701 178.141 176.519 -0.131 0.000 1.225 641 W CA 0.764 58.101 57.345 -0.013 0.000 1.233 641 W CB -0.310 29.096 29.460 -0.088 0.000 1.122 641 W HN 0.338 nan 8.180 nan 0.000 0.561 642 L N -0.272 121.059 121.223 0.180 0.000 2.027 642 L HA -0.182 4.158 4.340 -0.000 0.000 0.206 642 L C 2.164 179.049 176.870 0.025 0.000 1.074 642 L CA 1.930 56.796 54.840 0.044 0.000 0.745 642 L CB -1.437 40.622 42.059 -0.000 0.000 0.898 642 L HN -0.145 nan 8.230 nan 0.000 0.433 643 Y N -0.147 120.137 120.300 -0.027 0.000 2.165 643 Y HA -0.219 4.331 4.550 -0.000 0.000 0.286 643 Y C 2.783 178.633 175.900 -0.083 0.000 1.155 643 Y CA 1.653 59.729 58.100 -0.039 0.000 1.164 643 Y CB -1.129 37.295 38.460 -0.059 0.000 0.978 643 Y HN 0.206 nan 8.280 nan 0.000 0.513 644 S N 0.003 115.687 115.700 -0.026 0.000 2.359 644 S HA -0.288 4.182 4.470 -0.000 0.000 0.224 644 S C 2.370 176.928 174.600 -0.070 0.000 1.035 644 S CA 1.168 59.243 58.200 -0.208 0.000 1.018 644 S CB -0.856 61.981 63.200 -0.605 0.000 0.876 644 S HN 0.537 nan 8.310 nan 0.000 0.448 645 A N 2.374 125.170 122.820 -0.039 0.000 1.845 645 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 645 A C 2.054 179.717 177.584 0.133 0.000 1.195 645 A CA 2.146 54.200 52.037 0.028 0.000 0.616 645 A CB -0.799 18.187 19.000 -0.022 0.000 0.832 645 A HN 0.453 nan 8.150 nan 0.000 0.443 646 R N 0.041 120.615 120.500 0.123 0.000 2.154 646 R HA -0.122 4.217 4.340 -0.000 0.000 0.248 646 R C 1.902 178.386 176.300 0.306 0.000 1.155 646 R CA 2.452 58.675 56.100 0.204 0.000 0.979 646 R CB -1.116 29.263 30.300 0.131 0.000 0.869 646 R HN 0.400 nan 8.270 nan 0.000 0.452 647 G N -0.692 108.232 108.800 0.206 0.000 2.437 647 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.212 647 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.212 647 G C 0.935 175.962 174.900 0.212 0.000 1.174 647 G CA 0.507 45.726 45.100 0.197 0.000 0.811 647 G HN 0.360 nan 8.290 nan 0.000 0.537 648 D N -0.490 119.998 120.400 0.148 0.000 2.265 648 D HA -0.100 4.540 4.640 -0.000 0.000 0.208 648 D C 1.738 178.147 176.300 0.182 0.000 0.977 648 D CA 0.540 54.615 54.000 0.126 0.000 0.871 648 D CB -0.116 40.740 40.800 0.092 0.000 0.925 648 D HN 0.299 nan 8.370 nan 0.000 0.485 649 F N -0.911 119.112 119.950 0.122 0.000 2.219 649 F HA 0.044 4.571 4.527 -0.000 0.000 0.294 649 F C 1.844 177.752 175.800 0.181 0.000 1.086 649 F CA 0.470 58.546 58.000 0.126 0.000 1.330 649 F CB -0.296 38.795 39.000 0.151 0.000 1.047 649 F HN -0.099 nan 8.300 nan 0.000 0.495 650 F N 1.348 121.436 119.950 0.231 0.000 2.065 650 F HA -0.252 4.275 4.527 -0.000 0.000 0.298 650 F C 2.611 178.418 175.800 0.011 0.000 1.112 650 F CA 1.957 60.046 58.000 0.149 0.000 1.212 650 F CB -0.352 38.747 39.000 0.165 0.000 0.975 650 F HN -0.203 nan 8.300 nan 0.000 0.476 651 R N 0.132 120.822 120.500 0.316 0.000 2.094 651 R HA -0.248 4.092 4.340 -0.000 0.000 0.239 651 R C 2.435 178.746 176.300 0.018 0.000 1.137 651 R CA 1.424 57.625 56.100 0.168 0.000 0.943 651 R CB -1.164 29.197 30.300 0.102 0.000 0.850 651 R HN 0.426 nan 8.270 nan 0.000 0.433 652 A N 0.869 123.636 122.820 -0.089 0.000 1.915 652 A HA -0.291 4.029 4.320 -0.000 0.000 0.220 652 A C 2.330 179.754 177.584 -0.267 0.000 1.198 652 A CA 2.706 54.611 52.037 -0.220 0.000 0.647 652 A CB -1.295 17.488 19.000 -0.362 0.000 0.825 652 A HN 0.634 nan 8.150 nan 0.000 0.456 653 T N -3.539 110.819 114.554 -0.326 0.000 2.904 653 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 653 T C 2.006 176.715 174.700 0.015 0.000 1.059 653 T CA 1.827 63.821 62.100 -0.177 0.000 1.137 653 T CB -0.536 68.244 68.868 -0.147 0.000 0.879 653 T HN 0.457 nan 8.240 nan 0.000 0.467 654 S N 0.840 116.549 115.700 0.016 0.000 2.402 654 S HA -0.046 4.424 4.470 -0.000 0.000 0.229 654 S C 2.301 176.941 174.600 0.067 0.000 1.021 654 S CA 0.529 58.786 58.200 0.094 0.000 0.974 654 S CB -0.354 62.953 63.200 0.179 0.000 0.800 654 S HN 0.566 nan 8.310 nan 0.000 0.484 655 R N 0.050 120.555 120.500 0.009 0.000 2.055 655 R HA 0.037 4.377 4.340 -0.000 0.000 0.228 655 R C 2.382 178.657 176.300 -0.041 0.000 1.143 655 R CA 1.388 57.477 56.100 -0.018 0.000 0.945 655 R CB -0.874 29.393 30.300 -0.056 0.000 0.841 655 R HN 0.413 nan 8.270 nan 0.000 0.429 656 L N 0.982 122.139 121.223 -0.108 0.000 2.013 656 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 656 L C 2.265 179.179 176.870 0.073 0.000 1.073 656 L CA 2.159 56.889 54.840 -0.184 0.000 0.753 656 L CB -1.027 40.793 42.059 -0.399 0.000 0.890 656 L HN 0.118 nan 8.230 nan 0.000 0.432 657 T N -2.094 112.607 114.554 0.245 0.000 2.929 657 T HA -0.137 4.213 4.350 -0.000 0.000 0.271 657 T C 1.566 176.411 174.700 0.241 0.000 1.085 657 T CA 1.798 64.125 62.100 0.378 0.000 1.125 657 T CB -0.237 68.803 68.868 0.286 0.000 0.874 657 T HN 0.608 nan 8.240 nan 0.000 0.494 658 T N 0.830 115.469 114.554 0.142 0.000 2.898 658 T HA -0.006 4.344 4.350 -0.000 0.000 0.241 658 T C 1.617 176.369 174.700 0.085 0.000 1.024 658 T CA 0.723 62.883 62.100 0.101 0.000 1.174 658 T CB -0.420 68.485 68.868 0.061 0.000 0.873 658 T HN 0.295 nan 8.240 nan 0.000 0.422 659 D N 0.882 121.289 120.400 0.011 0.000 2.218 659 D HA -0.130 4.509 4.640 -0.000 0.000 0.194 659 D C 1.742 178.036 176.300 -0.009 0.000 1.007 659 D CA 1.227 55.197 54.000 -0.050 0.000 0.879 659 D CB -0.409 40.289 40.800 -0.170 0.000 0.918 659 D HN 0.358 nan 8.370 nan 0.000 0.449 660 F N 1.012 120.971 119.950 0.015 0.000 2.046 660 F HA -0.151 4.376 4.527 -0.000 0.000 0.297 660 F C 2.741 178.556 175.800 0.024 0.000 1.123 660 F CA 1.316 59.329 58.000 0.022 0.000 1.199 660 F CB -0.524 38.504 39.000 0.046 0.000 0.972 660 F HN 0.028 nan 8.300 nan 0.000 0.474 661 G N -0.174 108.777 108.800 0.252 0.000 2.469 661 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.220 661 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.220 661 G C 1.353 176.315 174.900 0.104 0.000 1.136 661 G CA 1.235 46.419 45.100 0.140 0.000 0.759 661 G HN 0.285 nan 8.290 nan 0.000 0.562 662 N N 1.052 119.806 118.700 0.090 0.000 2.457 662 N HA 0.125 4.865 4.740 -0.000 0.000 0.180 662 N C 1.034 176.580 175.510 0.061 0.000 1.050 662 N CA 0.662 53.749 53.050 0.061 0.000 0.906 662 N CB 0.073 38.585 38.487 0.042 0.000 0.968 662 N HN 0.377 nan 8.380 nan 0.000 0.445 663 A N 1.137 124.005 122.820 0.080 0.000 2.302 663 A HA 0.409 4.729 4.320 -0.000 0.000 0.285 663 A C -0.295 177.343 177.584 0.090 0.000 1.105 663 A CA -0.479 51.605 52.037 0.078 0.000 0.816 663 A CB 0.475 19.520 19.000 0.076 0.000 1.067 663 A HN 0.077 nan 8.150 nan 0.000 0.489 664 E N 0.886 121.132 120.200 0.077 0.000 2.175 664 E HA 0.369 4.719 4.350 -0.000 0.000 0.278 664 E C -0.549 176.096 176.600 0.075 0.000 0.969 664 E CA -0.579 55.863 56.400 0.070 0.000 0.796 664 E CB 0.924 30.658 29.700 0.055 0.000 1.104 664 E HN 0.511 nan 8.360 nan 0.000 0.395 665 K N 1.219 121.660 120.400 0.068 0.000 2.720 665 K HA -0.015 4.305 4.320 -0.000 0.000 0.206 665 K C 0.183 176.815 176.600 0.053 0.000 1.000 665 K CA 0.609 56.931 56.287 0.060 0.000 1.067 665 K CB -0.220 32.306 32.500 0.043 0.000 0.861 665 K HN 0.449 nan 8.250 nan 0.000 0.492 666 T N -0.635 113.954 114.554 0.057 0.000 2.955 666 T HA -0.040 4.310 4.350 -0.000 0.000 0.251 666 T C 0.242 174.978 174.700 0.060 0.000 1.002 666 T CA -0.153 61.978 62.100 0.052 0.000 0.970 666 T CB 0.309 69.205 68.868 0.046 0.000 1.091 666 T HN 0.141 nan 8.240 nan 0.000 0.495 667 D N 2.378 122.821 120.400 0.073 0.000 2.558 667 D HA 0.125 4.765 4.640 -0.000 0.000 0.221 667 D C 1.355 177.726 176.300 0.118 0.000 1.143 667 D CA -0.174 53.883 54.000 0.095 0.000 1.010 667 D CB 0.129 40.992 40.800 0.105 0.000 1.068 667 D HN 0.096 nan 8.370 nan 0.000 0.511 668 R N 1.919 122.479 120.500 0.100 0.000 2.228 668 R HA -0.247 4.093 4.340 -0.000 0.000 0.259 668 R C 1.545 177.905 176.300 0.100 0.000 1.183 668 R CA 1.311 57.461 56.100 0.084 0.000 1.002 668 R CB -0.184 30.158 30.300 0.071 0.000 0.879 668 R HN 0.436 nan 8.270 nan 0.000 0.467 669 F N 0.418 120.367 119.950 -0.003 0.000 2.094 669 F HA -0.166 4.361 4.527 -0.000 0.000 0.291 669 F C 2.162 177.951 175.800 -0.019 0.000 1.109 669 F CA 1.567 59.560 58.000 -0.012 0.000 1.221 669 F CB -0.605 38.386 39.000 -0.015 0.000 1.014 669 F HN -0.122 nan 8.300 nan 0.000 0.473 670 V N -1.054 119.066 119.914 0.344 0.000 2.490 670 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 670 V C 2.161 178.241 176.094 -0.023 0.000 1.061 670 V CA 1.684 64.081 62.300 0.161 0.000 1.064 670 V CB -0.846 31.078 31.823 0.168 0.000 0.670 670 V HN 0.399 nan 8.190 nan 0.000 0.461 671 M N 0.104 119.714 119.600 0.017 0.000 2.156 671 M HA -0.010 4.470 4.480 -0.000 0.000 0.264 671 M C 2.300 178.585 176.300 -0.025 0.000 1.067 671 M CA 1.782 57.102 55.300 0.032 0.000 1.131 671 M CB -1.139 31.512 32.600 0.084 0.000 1.368 671 M HN 0.416 nan 8.290 nan 0.000 0.416 672 K N 0.996 121.348 120.400 -0.080 0.000 2.063 672 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 672 K C 1.950 178.448 176.600 -0.170 0.000 1.048 672 K CA 1.399 57.621 56.287 -0.108 0.000 0.928 672 K CB -0.243 32.160 32.500 -0.161 0.000 0.713 672 K HN 0.273 nan 8.250 nan 0.000 0.442 673 K N 0.635 120.854 120.400 -0.303 0.000 2.147 673 K HA -0.098 4.222 4.320 -0.000 0.000 0.205 673 K C 2.194 178.650 176.600 -0.240 0.000 1.049 673 K CA 0.890 56.993 56.287 -0.306 0.000 0.936 673 K CB 0.041 32.312 32.500 -0.381 0.000 0.722 673 K HN 0.121 nan 8.250 nan 0.000 0.446 674 L N 0.465 121.530 121.223 -0.263 0.000 2.084 674 L HA -0.114 4.226 4.340 -0.000 0.000 0.202 674 L C 2.114 178.856 176.870 -0.213 0.000 1.074 674 L CA 0.693 55.281 54.840 -0.420 0.000 0.757 674 L CB -0.703 40.835 42.059 -0.869 0.000 0.918 674 L HN 0.172 nan 8.230 nan 0.000 0.444 675 N N 0.425 119.125 118.700 0.001 0.000 2.137 675 N HA -0.220 4.520 4.740 -0.000 0.000 0.190 675 N C 1.399 176.921 175.510 0.021 0.000 1.017 675 N CA 1.546 54.661 53.050 0.109 0.000 0.859 675 N CB -0.369 38.180 38.487 0.103 0.000 1.002 675 N HN 0.355 nan 8.380 nan 0.000 0.428 676 D N 0.722 121.122 120.400 -0.000 0.000 2.144 676 D HA -0.097 4.543 4.640 -0.000 0.000 0.199 676 D C 1.992 178.278 176.300 -0.024 0.000 0.984 676 D CA 0.697 54.701 54.000 0.006 0.000 0.834 676 D CB 0.000 40.800 40.800 -0.000 0.000 0.955 676 D HN 0.328 nan 8.370 nan 0.000 0.465 677 R N 0.577 121.023 120.500 -0.089 0.000 2.081 677 R HA -0.070 4.269 4.340 -0.000 0.000 0.235 677 R C 2.473 178.717 176.300 -0.093 0.000 1.131 677 R CA 0.615 56.641 56.100 -0.123 0.000 0.960 677 R CB -0.715 29.448 30.300 -0.229 0.000 0.856 677 R HN 0.134 nan 8.270 nan 0.000 0.436 678 V N 1.546 121.418 119.914 -0.071 0.000 2.343 678 V HA -0.239 3.880 4.120 -0.000 0.000 0.247 678 V C 2.387 178.528 176.094 0.077 0.000 1.051 678 V CA 1.653 63.957 62.300 0.006 0.000 1.036 678 V CB -0.432 31.476 31.823 0.140 0.000 0.654 678 V HN 0.293 nan 8.190 nan 0.000 0.451 679 M N -0.836 118.793 119.600 0.048 0.000 2.549 679 M HA -0.106 4.374 4.480 -0.000 0.000 0.260 679 M C 2.197 178.576 176.300 0.131 0.000 1.076 679 M CA 1.416 56.760 55.300 0.073 0.000 1.090 679 M CB -0.098 32.487 32.600 -0.025 0.000 1.418 679 M HN 0.256 nan 8.290 nan 0.000 0.486 680 R N -1.494 119.083 120.500 0.128 0.000 2.140 680 R HA 0.027 4.367 4.340 -0.000 0.000 0.213 680 R C 1.953 178.391 176.300 0.230 0.000 1.059 680 R CA 0.681 56.905 56.100 0.206 0.000 1.000 680 R CB -0.347 30.112 30.300 0.266 0.000 0.910 680 R HN 0.202 nan 8.270 nan 0.000 0.455 681 V N 1.959 121.974 119.914 0.168 0.000 2.236 681 V HA -0.364 3.756 4.120 -0.000 0.000 0.255 681 V C 2.309 178.518 176.094 0.190 0.000 1.068 681 V CA 2.465 64.876 62.300 0.184 0.000 1.044 681 V CB -0.556 31.422 31.823 0.259 0.000 0.653 681 V HN 0.322 nan 8.190 nan 0.000 0.448 682 E N -0.737 119.606 120.200 0.238 0.000 2.031 682 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 682 E C 2.089 178.838 176.600 0.248 0.000 0.994 682 E CA 1.874 58.449 56.400 0.290 0.000 0.800 682 E CB -0.582 29.311 29.700 0.320 0.000 0.752 682 E HN 0.670 nan 8.360 nan 0.000 0.447 683 Y N 0.644 120.934 120.300 -0.017 0.000 2.165 683 Y HA -0.254 4.296 4.550 -0.000 0.000 0.286 683 Y C 1.995 177.711 175.900 -0.307 0.000 1.155 683 Y CA 2.260 60.218 58.100 -0.237 0.000 1.164 683 Y CB -0.374 37.649 38.460 -0.728 0.000 0.978 683 Y HN 0.272 nan 8.280 nan 0.000 0.513 684 H N -1.115 117.755 119.070 -0.333 0.000 2.567 684 H HA -0.065 4.491 4.556 -0.000 0.000 0.276 684 H C 0.664 175.645 175.328 -0.579 0.000 1.016 684 H CA 0.961 56.720 56.048 -0.482 0.000 1.186 684 H CB -0.574 28.976 29.762 -0.353 0.000 1.351 684 H HN 0.423 nan 8.280 nan 0.000 0.605 685 F N 0.270 120.032 119.950 -0.312 0.000 2.639 685 F HA 0.183 4.710 4.527 -0.000 0.000 0.300 685 F C 0.490 175.996 175.800 -0.489 0.000 1.109 685 F CA -0.117 57.629 58.000 -0.422 0.000 1.335 685 F CB 0.512 39.130 39.000 -0.637 0.000 1.014 685 F HN -0.088 nan 8.300 nan 0.000 0.537 686 L N 0.378 121.433 121.223 -0.281 0.000 2.257 686 L HA 0.227 4.567 4.340 -0.000 0.000 0.290 686 L C 0.800 177.564 176.870 -0.176 0.000 1.044 686 L CA -0.683 54.033 54.840 -0.206 0.000 0.810 686 L CB 1.190 43.058 42.059 -0.318 0.000 1.193 686 L HN -0.089 nan 8.230 nan 0.000 0.425 687 S N 5.904 121.588 115.700 -0.027 0.000 2.811 687 S HA 0.032 4.502 4.470 -0.000 0.000 0.325 687 S C -1.372 173.186 174.600 -0.069 0.000 1.224 687 S CA -0.819 57.401 58.200 0.034 0.000 1.125 687 S CB 0.283 63.568 63.200 0.141 0.000 0.867 687 S HN 0.461 nan 8.310 nan 0.000 0.512 688 P HA 0.150 nan 4.420 nan 0.000 0.249 688 P C -0.618 176.350 177.300 -0.553 0.000 1.544 688 P CA 0.124 63.005 63.100 -0.365 0.000 0.932 688 P CB -0.363 31.079 31.700 -0.431 0.000 1.524 689 Y N -0.516 119.742 120.300 -0.070 0.000 2.675 689 Y HA 0.177 4.727 4.550 -0.000 0.000 0.248 689 Y C 0.974 176.826 175.900 -0.080 0.000 1.161 689 Y CA -0.561 57.504 58.100 -0.059 0.000 1.203 689 Y CB 0.890 39.329 38.460 -0.035 0.000 1.262 689 Y HN -0.183 nan 8.280 nan 0.000 0.544 690 V N -2.544 117.350 119.914 -0.033 0.000 2.656 690 V HA 0.628 4.748 4.120 -0.000 0.000 0.307 690 V C -0.070 175.959 176.094 -0.108 0.000 1.051 690 V CA -1.183 61.053 62.300 -0.106 0.000 0.893 690 V CB 1.832 33.475 31.823 -0.299 0.000 0.999 690 V HN -0.011 nan 8.190 nan 0.000 0.426 691 S N 3.864 119.522 115.700 -0.070 0.000 2.523 691 S HA 0.461 4.931 4.470 -0.000 0.000 0.275 691 S C -1.391 173.194 174.600 -0.025 0.000 1.281 691 S CA -1.008 57.169 58.200 -0.039 0.000 1.050 691 S CB 1.281 64.475 63.200 -0.010 0.000 0.937 691 S HN 0.762 nan 8.310 nan 0.000 0.492 692 P HA -0.113 nan 4.420 nan 0.000 0.218 692 P C 1.290 178.637 177.300 0.079 0.000 1.148 692 P CA 0.886 64.029 63.100 0.072 0.000 0.822 692 P CB 0.156 31.935 31.700 0.132 0.000 0.784 693 K N -0.256 120.204 120.400 0.099 0.000 2.148 693 K HA -0.159 4.160 4.320 -0.000 0.000 0.204 693 K C 1.510 178.161 176.600 0.085 0.000 1.050 693 K CA 1.257 57.632 56.287 0.148 0.000 0.942 693 K CB 0.054 32.659 32.500 0.175 0.000 0.724 693 K HN 0.074 nan 8.250 nan 0.000 0.446 694 E N -0.096 120.128 120.200 0.040 0.000 2.079 694 E HA 0.045 4.395 4.350 -0.000 0.000 0.191 694 E C 0.214 176.812 176.600 -0.003 0.000 0.961 694 E CA 0.527 56.941 56.400 0.023 0.000 0.823 694 E CB 0.368 30.077 29.700 0.015 0.000 0.789 694 E HN -0.049 nan 8.360 nan 0.000 0.459 695 S N 2.757 118.436 115.700 -0.035 0.000 2.399 695 S HA 0.198 4.668 4.470 -0.000 0.000 0.215 695 S C -1.961 172.591 174.600 -0.080 0.000 1.456 695 S CA -1.042 57.135 58.200 -0.039 0.000 1.199 695 S CB 1.880 65.054 63.200 -0.044 0.000 1.063 695 S HN 0.011 nan 8.310 nan 0.000 0.476 696 P HA -0.108 nan 4.420 nan 0.000 0.218 696 P C 0.094 177.329 177.300 -0.108 0.000 1.148 696 P CA 1.013 63.988 63.100 -0.208 0.000 0.822 696 P CB -0.090 31.234 31.700 -0.626 0.000 0.784 697 F N 0.503 120.583 119.950 0.218 0.000 2.541 697 F HA 0.312 4.839 4.527 -0.000 0.000 0.351 697 F C 1.844 177.870 175.800 0.377 0.000 1.209 697 F CA -0.738 57.401 58.000 0.232 0.000 1.277 697 F CB 0.037 39.175 39.000 0.231 0.000 1.632 697 F HN -0.282 nan 8.300 nan 0.000 0.619 698 R N -0.859 119.863 120.500 0.370 0.000 2.235 698 R HA -0.107 4.232 4.340 -0.000 0.000 0.213 698 R C 0.351 176.875 176.300 0.373 0.000 1.059 698 R CA 0.219 56.500 56.100 0.301 0.000 0.997 698 R CB -0.359 29.945 30.300 0.008 0.000 0.884 698 R HN 0.426 nan 8.270 nan 0.000 0.462 699 H N 1.265 120.469 119.070 0.224 0.000 3.248 699 H HA -0.048 4.508 4.556 -0.000 0.000 0.258 699 H C 1.561 176.930 175.328 0.069 0.000 0.923 699 H CA -0.117 56.016 56.048 0.142 0.000 1.416 699 H CB 0.678 30.540 29.762 0.167 0.000 1.523 699 H HN -0.038 nan 8.280 nan 0.000 0.528 700 V N 2.717 122.531 119.914 -0.166 0.000 2.453 700 V HA -0.298 3.822 4.120 -0.000 0.000 0.252 700 V C 1.648 177.491 176.094 -0.419 0.000 1.068 700 V CA 1.730 63.872 62.300 -0.264 0.000 1.070 700 V CB -0.940 30.700 31.823 -0.305 0.000 0.664 700 V HN 0.539 nan 8.190 nan 0.000 0.461 701 F N -0.448 119.168 119.950 -0.557 0.000 2.262 701 F HA 0.243 4.770 4.527 -0.000 0.000 0.292 701 F C 1.888 177.341 175.800 -0.579 0.000 1.081 701 F CA 1.146 58.644 58.000 -0.837 0.000 1.355 701 F CB -0.286 37.777 39.000 -1.561 0.000 1.069 701 F HN 0.207 nan 8.300 nan 0.000 0.506 702 W N -0.544 121.078 121.300 0.536 0.000 2.870 702 W HA 0.430 5.090 4.660 -0.000 0.000 0.358 702 W C 1.468 178.141 176.519 0.258 0.000 1.043 702 W CA -0.150 57.359 57.345 0.273 0.000 1.692 702 W CB -0.650 28.887 29.460 0.129 0.000 1.100 702 W HN -0.104 nan 8.180 nan 0.000 0.557 703 G N 1.114 110.147 108.800 0.389 0.000 2.481 703 G HA2 0.386 4.346 3.960 -0.000 0.000 0.251 703 G HA3 0.386 4.346 3.960 -0.000 0.000 0.251 703 G C -0.334 174.743 174.900 0.295 0.000 1.492 703 G CA -0.057 45.266 45.100 0.372 0.000 1.060 703 G HN -0.039 nan 8.290 nan 0.000 0.553 704 S N -1.445 114.440 115.700 0.309 0.000 2.649 704 S HA 0.700 5.170 4.470 -0.000 0.000 0.274 704 S C -0.060 174.665 174.600 0.209 0.000 1.176 704 S CA 0.094 58.423 58.200 0.216 0.000 0.988 704 S CB 1.491 64.885 63.200 0.322 0.000 1.071 704 S HN 1.867 nan 8.310 nan 0.000 0.478 705 G N 1.294 110.112 108.800 0.030 0.000 2.369 705 G HA2 0.258 4.218 3.960 -0.000 0.000 0.293 705 G HA3 0.258 4.218 3.960 -0.000 0.000 0.293 705 G C 0.375 175.270 174.900 -0.007 0.000 1.301 705 G CA -0.009 45.169 45.100 0.130 0.000 0.913 705 G HN 0.996 nan 8.290 nan 0.000 0.540 706 S N -0.543 115.237 115.700 0.134 0.000 2.522 706 S HA -0.050 4.420 4.470 -0.000 0.000 0.227 706 S C 1.751 176.370 174.600 0.031 0.000 0.986 706 S CA 1.677 59.912 58.200 0.058 0.000 0.929 706 S CB -0.503 62.740 63.200 0.072 0.000 0.769 706 S HN 1.117 nan 8.310 nan 0.000 0.529 707 H N 0.430 119.497 119.070 -0.005 0.000 2.529 707 H HA 0.152 4.708 4.556 -0.000 0.000 0.277 707 H C 0.184 175.468 175.328 -0.074 0.000 0.999 707 H CA 0.670 56.700 56.048 -0.030 0.000 1.256 707 H CB -1.493 28.271 29.762 0.003 0.000 1.402 707 H HN 0.188 nan 8.280 nan 0.000 0.566 708 T N 2.535 116.754 114.554 -0.559 0.000 2.934 708 T HA -0.017 4.332 4.350 -0.000 0.000 0.306 708 T C 1.475 175.975 174.700 -0.333 0.000 1.042 708 T CA -0.223 61.618 62.100 -0.432 0.000 1.145 708 T CB 0.718 69.397 68.868 -0.316 0.000 0.982 708 T HN 0.075 nan 8.240 nan 0.000 0.544 709 L N 6.459 127.405 121.223 -0.462 0.000 2.005 709 L HA 0.080 4.420 4.340 -0.000 0.000 0.207 709 L C -0.631 176.034 176.870 -0.341 0.000 1.072 709 L CA 1.695 56.167 54.840 -0.613 0.000 0.744 709 L CB -1.480 39.900 42.059 -1.131 0.000 0.895 709 L HN 0.511 nan 8.230 nan 0.000 0.433 710 P HA -0.182 nan 4.420 nan 0.000 0.216 710 P C 1.479 178.748 177.300 -0.051 0.000 1.150 710 P CA 1.893 64.935 63.100 -0.097 0.000 0.843 710 P CB -0.109 31.551 31.700 -0.067 0.000 0.787 711 A N -0.889 121.881 122.820 -0.083 0.000 2.019 711 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 711 A C 2.151 179.740 177.584 0.008 0.000 1.164 711 A CA 1.245 53.258 52.037 -0.041 0.000 0.644 711 A CB -1.601 17.357 19.000 -0.070 0.000 0.805 711 A HN 0.200 nan 8.150 nan 0.000 0.449 712 L N -0.457 120.773 121.223 0.012 0.000 1.988 712 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 712 L C 2.449 179.411 176.870 0.153 0.000 1.071 712 L CA 1.648 56.558 54.840 0.117 0.000 0.744 712 L CB -0.337 41.793 42.059 0.118 0.000 0.893 712 L HN 0.423 nan 8.230 nan 0.000 0.433 713 L N -0.157 121.120 121.223 0.090 0.000 2.013 713 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 713 L C 2.583 179.399 176.870 -0.090 0.000 1.073 713 L CA 1.500 56.297 54.840 -0.071 0.000 0.753 713 L CB -0.785 41.254 42.059 -0.033 0.000 0.890 713 L HN 0.331 nan 8.230 nan 0.000 0.432 714 E N 0.440 120.634 120.200 -0.010 0.000 2.273 714 E HA -0.256 4.094 4.350 -0.000 0.000 0.198 714 E C 1.765 178.383 176.600 0.029 0.000 1.002 714 E CA 1.394 57.798 56.400 0.006 0.000 0.828 714 E CB -0.143 29.566 29.700 0.015 0.000 0.747 714 E HN 0.401 nan 8.360 nan 0.000 0.491 715 N N -1.097 117.644 118.700 0.068 0.000 2.368 715 N HA -0.045 4.695 4.740 -0.000 0.000 0.178 715 N C 1.477 177.102 175.510 0.192 0.000 1.021 715 N CA 0.524 53.665 53.050 0.152 0.000 0.875 715 N CB -0.234 38.369 38.487 0.193 0.000 1.020 715 N HN 0.183 nan 8.380 nan 0.000 0.433 716 L N 1.458 122.688 121.223 0.011 0.000 2.083 716 L HA -0.009 4.331 4.340 -0.000 0.000 0.209 716 L C 1.833 178.485 176.870 -0.364 0.000 1.083 716 L CA 1.586 56.217 54.840 -0.347 0.000 0.752 716 L CB -0.426 41.272 42.059 -0.602 0.000 0.899 716 L HN 0.104 nan 8.230 nan 0.000 0.433 717 K N -0.658 119.600 120.400 -0.237 0.000 2.113 717 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 717 K C 1.908 178.492 176.600 -0.026 0.000 1.047 717 K CA 1.633 57.897 56.287 -0.038 0.000 0.928 717 K CB -0.412 32.107 32.500 0.032 0.000 0.716 717 K HN 0.385 nan 8.250 nan 0.000 0.446 718 L N 0.506 121.718 121.223 -0.019 0.000 2.362 718 L HA -0.106 4.234 4.340 -0.000 0.000 0.219 718 L C 2.398 179.224 176.870 -0.073 0.000 1.134 718 L CA 0.366 55.217 54.840 0.018 0.000 0.807 718 L CB -0.429 41.703 42.059 0.122 0.000 0.927 718 L HN 0.092 nan 8.230 nan 0.000 0.447 719 R N 1.554 121.847 120.500 -0.346 0.000 2.094 719 R HA -0.186 4.154 4.340 -0.000 0.000 0.239 719 R C 2.112 178.256 176.300 -0.259 0.000 1.137 719 R CA 1.747 57.479 56.100 -0.613 0.000 0.943 719 R CB -0.302 29.414 30.300 -0.973 0.000 0.850 719 R HN 0.252 nan 8.270 nan 0.000 0.433 720 K N 0.084 120.388 120.400 -0.160 0.000 2.152 720 K HA -0.169 4.151 4.320 -0.000 0.000 0.206 720 K C 2.033 178.605 176.600 -0.046 0.000 1.048 720 K CA 1.633 57.871 56.287 -0.081 0.000 0.933 720 K CB -0.137 32.337 32.500 -0.042 0.000 0.721 720 K HN 0.381 nan 8.250 nan 0.000 0.447 721 Q N 0.938 120.720 119.800 -0.029 0.000 2.576 721 Q HA -0.166 4.174 4.340 -0.000 0.000 0.218 721 Q C 0.225 176.227 176.000 0.003 0.000 0.983 721 Q CA 0.899 56.701 55.803 -0.001 0.000 0.920 721 Q CB -0.550 28.198 28.738 0.017 0.000 0.973 721 Q HN 0.492 nan 8.270 nan 0.000 0.528 722 N N -0.576 118.118 118.700 -0.010 0.000 2.707 722 N HA -0.355 4.384 4.740 -0.000 0.000 0.245 722 N C -0.344 175.182 175.510 0.026 0.000 1.103 722 N CA 1.908 54.959 53.050 0.002 0.000 0.882 722 N CB -2.062 36.426 38.487 0.000 0.000 1.160 722 N HN 0.664 nan 8.380 nan 0.000 0.587 723 N N -2.059 116.662 118.700 0.036 0.000 2.431 723 N HA 0.411 5.151 4.740 -0.000 0.000 0.289 723 N C 1.369 176.923 175.510 0.072 0.000 1.277 723 N CA -0.529 52.549 53.050 0.047 0.000 0.972 723 N CB 0.273 38.785 38.487 0.042 0.000 1.143 723 N HN 0.136 nan 8.380 nan 0.000 0.578 724 G N -1.733 107.106 108.800 0.065 0.000 2.880 724 G HA2 0.061 4.021 3.960 -0.000 0.000 0.209 724 G HA3 0.061 4.021 3.960 -0.000 0.000 0.209 724 G C 1.382 176.330 174.900 0.081 0.000 1.157 724 G CA 0.331 45.474 45.100 0.072 0.000 0.779 724 G HN 0.709 nan 8.290 nan 0.000 0.539 725 A N 0.572 123.443 122.820 0.086 0.000 2.042 725 A HA -0.057 4.263 4.320 -0.000 0.000 0.222 725 A C 1.018 178.678 177.584 0.127 0.000 1.167 725 A CA 0.481 52.571 52.037 0.087 0.000 0.649 725 A CB -0.469 18.580 19.000 0.082 0.000 0.809 725 A HN 0.435 nan 8.150 nan 0.000 0.457 726 F N 1.311 121.257 119.950 -0.007 0.000 2.421 726 F HA 0.413 4.940 4.527 -0.000 0.000 0.358 726 F C 0.060 175.861 175.800 0.002 0.000 1.115 726 F CA -1.706 56.285 58.000 -0.016 0.000 1.160 726 F CB 0.277 39.249 39.000 -0.046 0.000 1.123 726 F HN 0.115 nan 8.300 nan 0.000 0.508 727 N N 5.595 123.975 118.700 -0.534 0.000 2.437 727 N HA 0.022 4.762 4.740 -0.000 0.000 0.243 727 N C 0.841 175.814 175.510 -0.894 0.000 1.041 727 N CA 0.157 52.917 53.050 -0.483 0.000 0.940 727 N CB 0.709 39.056 38.487 -0.234 0.000 1.133 727 N HN 0.944 nan 8.380 nan 0.000 0.506 728 E N 2.164 121.906 120.200 -0.763 0.000 2.047 728 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 728 E C 0.692 177.196 176.600 -0.160 0.000 0.987 728 E CA 1.343 57.427 56.400 -0.527 0.000 0.799 728 E CB 0.255 29.920 29.700 -0.058 0.000 0.752 728 E HN 0.628 nan 8.360 nan 0.000 0.449 729 T N 1.901 116.384 114.554 -0.118 0.000 2.759 729 T HA -0.191 4.159 4.350 -0.000 0.000 0.269 729 T C 1.763 176.428 174.700 -0.058 0.000 1.042 729 T CA 1.210 63.278 62.100 -0.054 0.000 1.140 729 T CB -0.303 68.537 68.868 -0.047 0.000 0.864 729 T HN 0.138 nan 8.240 nan 0.000 0.455 730 L N 0.818 121.985 121.223 -0.093 0.000 1.994 730 L HA 0.036 4.375 4.340 -0.000 0.000 0.208 730 L C 2.019 178.876 176.870 -0.022 0.000 1.071 730 L CA 1.635 56.437 54.840 -0.063 0.000 0.745 730 L CB -1.183 40.830 42.059 -0.076 0.000 0.892 730 L HN 0.222 nan 8.230 nan 0.000 0.431 731 F N 0.657 120.507 119.950 -0.168 0.000 2.025 731 F HA -0.253 4.274 4.527 -0.000 0.000 0.297 731 F C 2.658 178.453 175.800 -0.009 0.000 1.132 731 F CA 1.945 59.917 58.000 -0.047 0.000 1.191 731 F CB -0.552 38.482 39.000 0.056 0.000 0.963 731 F HN 0.059 nan 8.300 nan 0.000 0.481 732 R N 0.555 121.063 120.500 0.012 0.000 2.189 732 R HA -0.278 4.061 4.340 -0.000 0.000 0.252 732 R C 1.931 178.117 176.300 -0.191 0.000 1.134 732 R CA 2.064 58.112 56.100 -0.087 0.000 0.954 732 R CB -1.371 28.940 30.300 0.019 0.000 0.890 732 R HN 0.452 nan 8.270 nan 0.000 0.443 733 N N 0.721 119.336 118.700 -0.141 0.000 2.092 733 N HA -0.128 4.612 4.740 -0.000 0.000 0.189 733 N C 1.916 177.314 175.510 -0.187 0.000 1.040 733 N CA 1.068 54.034 53.050 -0.141 0.000 0.845 733 N CB -0.441 37.989 38.487 -0.096 0.000 1.017 733 N HN 0.349 nan 8.380 nan 0.000 0.426 734 Q N 0.990 120.679 119.800 -0.185 0.000 2.103 734 Q HA -0.212 4.127 4.340 -0.000 0.000 0.213 734 Q C 2.233 178.078 176.000 -0.258 0.000 1.008 734 Q CA 1.602 57.294 55.803 -0.185 0.000 0.879 734 Q CB -0.415 28.238 28.738 -0.140 0.000 0.946 734 Q HN 0.363 nan 8.270 nan 0.000 0.413 735 L N -0.033 120.923 121.223 -0.445 0.000 1.976 735 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 735 L C 2.355 179.078 176.870 -0.244 0.000 1.071 735 L CA 1.528 56.136 54.840 -0.387 0.000 0.746 735 L CB -0.569 41.121 42.059 -0.615 0.000 0.890 735 L HN 0.285 nan 8.230 nan 0.000 0.432 736 A N 0.241 122.921 122.820 -0.233 0.000 1.881 736 A HA -0.292 4.027 4.320 -0.000 0.000 0.219 736 A C 2.163 179.677 177.584 -0.116 0.000 1.215 736 A CA 2.513 54.454 52.037 -0.160 0.000 0.648 736 A CB -1.195 17.736 19.000 -0.115 0.000 0.832 736 A HN 0.548 nan 8.150 nan 0.000 0.455 737 L N -1.201 119.925 121.223 -0.162 0.000 2.005 737 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 737 L C 3.088 179.873 176.870 -0.143 0.000 1.072 737 L CA 1.055 55.749 54.840 -0.244 0.000 0.744 737 L CB -0.719 41.118 42.059 -0.370 0.000 0.895 737 L HN 0.446 nan 8.230 nan 0.000 0.433 738 A N -0.462 122.273 122.820 -0.141 0.000 2.093 738 A HA -0.242 4.078 4.320 -0.000 0.000 0.222 738 A C 2.281 179.790 177.584 -0.124 0.000 1.162 738 A CA 2.434 54.387 52.037 -0.141 0.000 0.655 738 A CB -0.896 17.989 19.000 -0.192 0.000 0.805 738 A HN 0.479 nan 8.150 nan 0.000 0.461 739 T N -1.779 112.681 114.554 -0.156 0.000 2.706 739 T HA -0.137 4.213 4.350 -0.000 0.000 0.255 739 T C 1.467 176.036 174.700 -0.218 0.000 1.048 739 T CA 1.262 63.225 62.100 -0.227 0.000 1.153 739 T CB -0.392 68.234 68.868 -0.404 0.000 0.865 739 T HN 0.746 nan 8.240 nan 0.000 0.414 740 W N 1.769 123.047 121.300 -0.038 0.000 2.364 740 W HA -0.122 4.538 4.660 -0.000 0.000 0.281 740 W C 2.616 179.185 176.519 0.082 0.000 1.219 740 W CA 0.727 58.083 57.345 0.018 0.000 1.220 740 W CB -0.927 28.516 29.460 -0.028 0.000 1.127 740 W HN 0.245 nan 8.180 nan 0.000 0.556 741 T N 0.920 115.617 114.554 0.238 0.000 2.674 741 T HA -0.212 4.138 4.350 -0.000 0.000 0.265 741 T C 1.697 176.420 174.700 0.038 0.000 1.039 741 T CA 1.636 63.842 62.100 0.176 0.000 1.150 741 T CB -0.510 68.414 68.868 0.093 0.000 0.864 741 T HN 0.073 nan 8.240 nan 0.000 0.427 742 I N 0.894 121.469 120.570 0.008 0.000 2.163 742 I HA -0.202 3.968 4.170 -0.000 0.000 0.243 742 I C 2.995 179.117 176.117 0.009 0.000 1.085 742 I CA 1.119 62.407 61.300 -0.020 0.000 1.347 742 I CB -0.463 37.543 38.000 0.011 0.000 1.044 742 I HN 0.166 nan 8.210 nan 0.000 0.408 743 Q N 1.210 121.044 119.800 0.056 0.000 2.014 743 Q HA -0.200 4.139 4.340 -0.000 0.000 0.207 743 Q C 2.279 178.370 176.000 0.152 0.000 0.993 743 Q CA 2.383 58.260 55.803 0.123 0.000 0.850 743 Q CB -1.048 27.797 28.738 0.179 0.000 0.916 743 Q HN 0.558 nan 8.270 nan 0.000 0.417 744 G N 0.297 109.200 108.800 0.171 0.000 2.469 744 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 744 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 744 G C 1.545 176.412 174.900 -0.054 0.000 1.150 744 G CA 1.778 46.931 45.100 0.088 0.000 0.763 744 G HN 0.541 nan 8.290 nan 0.000 0.561 745 A N 0.980 123.724 122.820 -0.128 0.000 1.986 745 A HA 0.149 4.469 4.320 -0.000 0.000 0.220 745 A C 2.772 180.345 177.584 -0.019 0.000 1.171 745 A CA 2.474 54.346 52.037 -0.276 0.000 0.640 745 A CB -0.667 17.885 19.000 -0.748 0.000 0.811 745 A HN 0.828 nan 8.150 nan 0.000 0.451 746 A N 0.256 123.170 122.820 0.156 0.000 1.840 746 A HA -0.135 4.185 4.320 -0.000 0.000 0.214 746 A C 1.817 179.389 177.584 -0.020 0.000 1.198 746 A CA 1.473 53.612 52.037 0.169 0.000 0.608 746 A CB -0.617 18.522 19.000 0.232 0.000 0.839 746 A HN 0.517 nan 8.150 nan 0.000 0.443 747 N N 0.643 119.345 118.700 0.003 0.000 2.348 747 N HA -0.102 4.637 4.740 -0.000 0.000 0.185 747 N C 1.539 176.974 175.510 -0.125 0.000 1.019 747 N CA 1.384 54.422 53.050 -0.019 0.000 0.880 747 N CB -0.406 38.113 38.487 0.053 0.000 0.965 747 N HN 0.528 nan 8.380 nan 0.000 0.437 748 A N 0.013 122.694 122.820 -0.232 0.000 1.984 748 A HA 0.095 4.415 4.320 -0.000 0.000 0.214 748 A C 1.740 179.123 177.584 -0.335 0.000 1.173 748 A CA 0.158 51.957 52.037 -0.397 0.000 0.673 748 A CB -0.158 18.289 19.000 -0.923 0.000 0.830 748 A HN 0.183 nan 8.150 nan 0.000 0.453 749 L N -0.624 120.432 121.223 -0.278 0.000 2.660 749 L HA 0.265 4.605 4.340 -0.000 0.000 0.238 749 L C 0.681 177.398 176.870 -0.254 0.000 1.161 749 L CA 0.952 55.637 54.840 -0.258 0.000 0.937 749 L CB -0.908 40.980 42.059 -0.286 0.000 1.122 749 L HN 0.547 nan 8.230 nan 0.000 0.435 750 S N -1.534 114.037 115.700 -0.215 0.000 4.146 750 S HA 0.019 4.489 4.470 -0.000 0.000 0.628 750 S C 0.826 175.344 174.600 -0.138 0.000 1.860 750 S CA 0.331 58.418 58.200 -0.189 0.000 4.099 750 S CB -1.716 61.363 63.200 -0.201 0.000 0.215 750 S HN 1.650 nan 8.310 nan 0.000 0.512 751 G N 1.608 110.340 108.800 -0.113 0.000 2.132 751 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.234 751 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.234 751 G C 0.163 175.036 174.900 -0.044 0.000 0.989 751 G CA 1.039 46.106 45.100 -0.055 0.000 0.676 751 G HN 1.676 nan 8.290 nan 0.000 0.522 752 D N -1.998 118.351 120.400 -0.085 0.000 3.041 752 D HA -0.182 4.458 4.640 -0.000 0.000 0.220 752 D C 0.915 177.142 176.300 -0.123 0.000 1.157 752 D CA 1.460 55.408 54.000 -0.087 0.000 0.876 752 D CB -1.706 39.072 40.800 -0.037 0.000 1.107 752 D HN 1.717 nan 8.370 nan 0.000 0.422 753 V N -2.195 117.618 119.914 -0.167 0.000 3.592 753 V HA -0.311 3.809 4.120 -0.000 0.000 0.513 753 V C 0.878 176.929 176.094 -0.072 0.000 0.682 753 V CA 0.716 62.830 62.300 -0.310 0.000 2.067 753 V CB -0.639 30.822 31.823 -0.603 0.000 2.488 753 V HN 0.576 nan 8.190 nan 0.000 0.511 754 W N -0.005 121.292 121.300 -0.005 0.000 6.170 754 W HA -0.186 4.474 4.660 -0.000 0.000 0.394 754 W C 0.509 177.038 176.519 0.016 0.000 1.480 754 W CA 0.295 57.645 57.345 0.008 0.000 1.027 754 W CB -1.139 28.325 29.460 0.008 0.000 2.638 754 W HN 0.907 nan 8.180 nan 0.000 1.547 755 D N 1.016 121.557 120.400 0.236 0.000 2.793 755 D HA 0.005 4.645 4.640 -0.000 0.000 0.230 755 D C 0.598 176.990 176.300 0.153 0.000 1.139 755 D CA 0.878 54.969 54.000 0.150 0.000 0.838 755 D CB 0.348 41.220 40.800 0.119 0.000 1.149 755 D HN 0.044 nan 8.370 nan 0.000 0.526 756 I N 2.235 122.878 120.570 0.122 0.000 3.771 756 I HA 0.082 4.252 4.170 -0.000 0.000 0.327 756 I C 0.120 176.290 176.117 0.088 0.000 1.435 756 I CA -0.213 61.148 61.300 0.102 0.000 1.259 756 I CB -0.536 37.517 38.000 0.088 0.000 1.292 756 I HN 0.193 nan 8.210 nan 0.000 0.429 757 D N -0.768 119.691 120.400 0.098 0.000 3.110 757 D HA 0.023 4.663 4.640 -0.000 0.000 0.254 757 D C 1.033 177.410 176.300 0.129 0.000 1.283 757 D CA -0.399 53.657 54.000 0.094 0.000 0.944 757 D CB -0.693 40.150 40.800 0.072 0.000 1.066 757 D HN 0.499 nan 8.370 nan 0.000 0.496 758 N N -0.164 118.603 118.700 0.111 0.000 2.453 758 N HA -0.258 4.481 4.740 -0.000 0.000 0.183 758 N C 1.339 176.921 175.510 0.120 0.000 1.041 758 N CA 0.298 53.414 53.050 0.110 0.000 0.900 758 N CB 0.145 38.675 38.487 0.071 0.000 0.961 758 N HN 0.181 nan 8.380 nan 0.000 0.443 759 E N 1.225 121.496 120.200 0.120 0.000 1.989 759 E HA -0.093 4.257 4.350 -0.000 0.000 0.214 759 E C 0.322 177.023 176.600 0.168 0.000 0.915 759 E CA 0.068 56.535 56.400 0.112 0.000 1.012 759 E CB -0.668 29.090 29.700 0.097 0.000 0.865 759 E HN 0.206 nan 8.360 nan 0.000 0.577 760 F N 0.000 119.951 119.950 0.002 0.000 2.286 760 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 760 F CA 0.000 57.985 58.000 -0.025 0.000 1.383 760 F CB 0.000 38.986 39.000 -0.023 0.000 1.145 760 F HN 0.000 nan 8.300 nan 0.000 0.574