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_A 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 0.000 176.709 176.870 -0.269 0.000 1.165 122 L CA 0.000 54.747 54.840 -0.156 0.000 0.813 122 L CB 0.000 42.019 42.059 -0.066 0.000 0.961 123 Y N -0.449 119.833 120.300 -0.030 0.000 2.488 123 Y HA 0.188 4.738 4.550 -0.000 0.000 0.325 123 Y C 1.048 176.864 175.900 -0.140 0.000 1.204 123 Y CA 0.045 58.125 58.100 -0.034 0.000 1.229 123 Y CB 1.150 39.631 38.460 0.035 0.000 1.274 123 Y HN 0.738 nan 8.280 nan 0.000 0.493 124 W N 2.001 123.189 121.300 -0.187 0.000 2.290 124 W HA -0.345 4.315 4.660 -0.000 0.000 0.323 124 W C 1.126 177.579 176.519 -0.109 0.000 1.260 124 W CA 2.570 59.767 57.345 -0.246 0.000 1.266 124 W CB -0.274 29.135 29.460 -0.085 0.000 1.149 124 W HN 0.916 nan 8.180 nan 0.000 0.482 125 D N 0.562 120.833 120.400 -0.215 0.000 2.133 125 D HA -0.302 4.338 4.640 -0.000 0.000 0.192 125 D C 1.588 177.673 176.300 -0.358 0.000 1.001 125 D CA 2.271 56.068 54.000 -0.338 0.000 0.844 125 D CB -1.240 39.500 40.800 -0.100 0.000 0.944 125 D HN 0.144 nan 8.370 nan 0.000 0.447 126 D N 0.250 120.526 120.400 -0.208 0.000 2.103 126 D HA -0.131 4.509 4.640 -0.000 0.000 0.190 126 D C 2.269 178.383 176.300 -0.309 0.000 0.997 126 D CA 0.796 54.682 54.000 -0.190 0.000 0.833 126 D CB -0.252 40.494 40.800 -0.090 0.000 0.961 126 D HN 0.153 nan 8.370 nan 0.000 0.447 127 L N 1.098 122.087 121.223 -0.389 0.000 2.079 127 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 127 L C 2.371 178.875 176.870 -0.610 0.000 1.081 127 L CA 1.318 55.862 54.840 -0.494 0.000 0.752 127 L CB -1.055 40.708 42.059 -0.493 0.000 0.896 127 L HN 0.101 nan 8.230 nan 0.000 0.433 128 K N 0.070 119.924 120.400 -0.911 0.000 2.002 128 K HA -0.193 4.127 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 1.266 56.991 56.287 -0.936 0.000 0.930 128 K CB 0.052 31.775 32.500 -1.295 0.000 0.714 128 K HN 0.113 nan 8.250 nan 0.000 0.438 129 R N 0.601 120.856 120.500 -0.408 0.000 2.083 129 R HA -0.174 4.166 4.340 -0.000 0.000 0.237 129 R C 2.358 178.520 176.300 -0.230 0.000 1.137 129 R CA 1.826 57.770 56.100 -0.260 0.000 0.951 129 R CB -0.164 30.014 30.300 -0.204 0.000 0.851 129 R HN -0.013 nan 8.270 nan 0.000 0.434 130 K N 0.928 121.179 120.400 -0.249 0.000 1.978 130 K HA -0.178 4.142 4.320 -0.000 0.000 0.214 130 K C 1.876 178.337 176.600 -0.232 0.000 1.049 130 K CA 1.499 57.656 56.287 -0.217 0.000 0.939 130 K CB -0.838 31.527 32.500 -0.225 0.000 0.721 130 K HN 0.081 nan 8.250 nan 0.000 0.441 131 L N 0.709 121.755 121.223 -0.295 0.000 2.211 131 L HA -0.231 4.109 4.340 -0.000 0.000 0.216 131 L C 2.199 178.948 176.870 -0.203 0.000 1.092 131 L CA 2.260 56.929 54.840 -0.285 0.000 0.767 131 L CB -1.048 40.827 42.059 -0.306 0.000 0.894 131 L HN 0.371 nan 8.230 nan 0.000 0.437 132 S N -0.559 115.025 115.700 -0.194 0.000 2.335 132 S HA -0.205 4.265 4.470 -0.000 0.000 0.217 132 S C 1.905 176.423 174.600 -0.136 0.000 1.032 132 S CA 1.038 59.147 58.200 -0.151 0.000 0.985 132 S CB -0.387 62.723 63.200 -0.151 0.000 0.896 132 S HN 0.794 nan 8.310 nan 0.000 0.445 133 E N 0.724 120.842 120.200 -0.136 0.000 2.118 133 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 133 E C 1.842 178.371 176.600 -0.118 0.000 0.992 133 E CA 1.090 57.420 56.400 -0.118 0.000 0.804 133 E CB -0.262 29.374 29.700 -0.107 0.000 0.741 133 E HN 0.331 nan 8.360 nan 0.000 0.458 134 K N 0.489 120.812 120.400 -0.128 0.000 2.097 134 K HA -0.067 4.253 4.320 -0.000 0.000 0.206 134 K C 2.126 178.656 176.600 -0.117 0.000 1.049 134 K CA 0.644 56.859 56.287 -0.120 0.000 0.933 134 K CB -0.262 32.151 32.500 -0.146 0.000 0.717 134 K HN 0.239 nan 8.250 nan 0.000 0.442 135 L N 1.760 122.913 121.223 -0.117 0.000 2.217 135 L HA -0.106 4.234 4.340 -0.000 0.000 0.211 135 L C 1.374 178.131 176.870 -0.188 0.000 1.107 135 L CA 1.555 56.325 54.840 -0.115 0.000 0.783 135 L CB -0.941 41.082 42.059 -0.060 0.000 0.919 135 L HN 0.108 nan 8.230 nan 0.000 0.442 136 D N -0.719 119.589 120.400 -0.153 0.000 2.269 136 D HA -0.051 4.589 4.640 -0.000 0.000 0.208 136 D C 0.835 177.041 176.300 -0.157 0.000 0.963 136 D CA 0.629 54.539 54.000 -0.150 0.000 0.864 136 D CB 0.347 41.076 40.800 -0.118 0.000 0.936 136 D HN 0.091 nan 8.370 nan 0.000 0.505 137 S N -0.159 115.450 115.700 -0.153 0.000 2.256 137 S HA 0.239 4.709 4.470 -0.000 0.000 0.210 137 S C -0.275 174.238 174.600 -0.146 0.000 1.329 137 S CA -0.612 57.509 58.200 -0.132 0.000 1.267 137 S CB 0.707 63.853 63.200 -0.090 0.000 1.086 137 S HN 0.157 nan 8.310 nan 0.000 0.468 138 T N -1.411 112.995 114.554 -0.247 0.000 3.011 138 T HA 0.344 4.694 4.350 -0.000 0.000 0.303 138 T C -1.409 173.052 174.700 -0.400 0.000 0.997 138 T CA -0.755 61.188 62.100 -0.262 0.000 1.007 138 T CB 1.587 70.310 68.868 -0.242 0.000 1.017 138 T HN 0.029 nan 8.240 nan 0.000 0.443 139 D N 2.785 123.093 120.400 -0.153 0.000 2.402 139 D HA 0.236 4.876 4.640 -0.000 0.000 0.235 139 D C 0.288 176.646 176.300 0.096 0.000 1.226 139 D CA -0.571 53.380 54.000 -0.081 0.000 0.918 139 D CB 0.021 40.816 40.800 -0.008 0.000 1.043 139 D HN 0.626 nan 8.370 nan 0.000 0.506 140 F N 0.961 120.929 119.950 0.029 0.000 2.234 140 F HA -0.134 4.393 4.527 -0.000 0.000 0.296 140 F C 2.644 178.483 175.800 0.065 0.000 1.089 140 F CA 0.237 58.263 58.000 0.042 0.000 1.343 140 F CB 0.194 39.217 39.000 0.039 0.000 1.040 140 F HN 0.299 nan 8.300 nan 0.000 0.498 141 T N -0.681 114.029 114.554 0.261 0.000 2.759 141 T HA -0.176 4.174 4.350 -0.000 0.000 0.269 141 T C 2.140 176.922 174.700 0.135 0.000 1.042 141 T CA 1.882 64.133 62.100 0.251 0.000 1.140 141 T CB -0.273 68.734 68.868 0.230 0.000 0.864 141 T HN 0.149 nan 8.240 nan 0.000 0.455 142 S N 0.565 116.315 115.700 0.083 0.000 2.348 142 S HA -0.100 4.370 4.470 -0.000 0.000 0.221 142 S C 2.261 176.856 174.600 -0.009 0.000 1.033 142 S CA 1.872 60.076 58.200 0.007 0.000 1.010 142 S CB -0.759 62.461 63.200 0.033 0.000 0.891 142 S HN 0.633 nan 8.310 nan 0.000 0.442 143 T N 2.454 117.050 114.554 0.071 0.000 2.915 143 T HA 0.093 4.443 4.350 -0.000 0.000 0.269 143 T C 1.661 176.385 174.700 0.040 0.000 1.071 143 T CA 0.832 62.978 62.100 0.077 0.000 1.132 143 T CB -0.351 68.593 68.868 0.127 0.000 0.878 143 T HN 0.335 nan 8.240 nan 0.000 0.479 144 I N 0.711 121.316 120.570 0.058 0.000 2.546 144 I HA -0.080 4.090 4.170 -0.000 0.000 0.255 144 I C 2.565 178.659 176.117 -0.038 0.000 1.163 144 I CA 1.021 62.373 61.300 0.087 0.000 1.457 144 I CB -0.265 37.879 38.000 0.240 0.000 1.092 144 I HN 0.172 nan 8.210 nan 0.000 0.434 145 K N 1.719 121.928 120.400 -0.319 0.000 2.044 145 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 145 K C 2.306 178.773 176.600 -0.221 0.000 1.045 145 K CA 0.861 56.773 56.287 -0.624 0.000 0.951 145 K CB -0.113 31.859 32.500 -0.879 0.000 0.738 145 K HN 0.212 nan 8.250 nan 0.000 0.443 146 L N 1.712 122.861 121.223 -0.124 0.000 2.051 146 L HA -0.166 4.174 4.340 -0.000 0.000 0.214 146 L C 1.423 178.327 176.870 0.057 0.000 1.076 146 L CA 1.352 56.177 54.840 -0.026 0.000 0.758 146 L CB -0.157 41.901 42.059 -0.002 0.000 0.890 146 L HN 0.234 nan 8.230 nan 0.000 0.433 147 L N 0.674 121.902 121.223 0.009 0.000 2.873 147 L HA 0.007 4.347 4.340 -0.000 0.000 0.252 147 L C 1.002 177.920 176.870 0.081 0.000 1.266 147 L CA 0.078 54.916 54.840 -0.004 0.000 1.111 147 L CB -0.749 41.282 42.059 -0.047 0.000 1.440 147 L HN 0.394 nan 8.230 nan 0.000 0.427 148 N N -0.756 118.006 118.700 0.102 0.000 2.008 148 N HA 0.048 4.788 4.740 -0.000 0.000 0.228 148 N C 0.159 175.706 175.510 0.062 0.000 1.375 148 N CA -0.026 53.077 53.050 0.087 0.000 0.856 148 N CB 1.114 39.639 38.487 0.063 0.000 1.096 148 N HN 0.385 nan 8.380 nan 0.000 0.489 149 E N 0.965 121.192 120.200 0.045 0.000 2.436 149 E HA -0.025 4.325 4.350 -0.000 0.000 0.262 149 E C 0.387 176.932 176.600 -0.092 0.000 1.063 149 E CA 0.116 56.487 56.400 -0.049 0.000 0.944 149 E CB 0.526 30.159 29.700 -0.112 0.000 0.950 149 E HN 0.089 nan 8.360 nan 0.000 0.444 150 N N 0.607 119.238 118.700 -0.114 0.000 2.588 150 N HA -0.126 4.614 4.740 -0.000 0.000 0.190 150 N C 1.054 176.437 175.510 -0.211 0.000 1.094 150 N CA 0.668 53.646 53.050 -0.121 0.000 0.921 150 N CB 0.094 38.521 38.487 -0.101 0.000 0.959 150 N HN 0.236 nan 8.380 nan 0.000 0.448 151 S N -0.472 114.987 115.700 -0.400 0.000 2.399 151 S HA -0.122 4.348 4.470 -0.000 0.000 0.231 151 S C -0.232 173.969 174.600 -0.666 0.000 1.022 151 S CA 1.081 58.863 58.200 -0.697 0.000 0.983 151 S CB -0.189 62.281 63.200 -1.216 0.000 0.803 151 S HN 0.544 nan 8.310 nan 0.000 0.480 152 Y N -1.298 118.959 120.300 -0.073 0.000 2.580 152 Y HA 0.598 5.148 4.550 -0.000 0.000 0.305 152 Y C 0.216 176.091 175.900 -0.041 0.000 1.069 152 Y CA -1.030 57.038 58.100 -0.054 0.000 1.193 152 Y CB -0.575 37.855 38.460 -0.051 0.000 1.126 152 Y HN -0.075 nan 8.280 nan 0.000 0.610 153 V N 1.097 121.057 119.914 0.077 0.000 2.635 153 V HA 0.384 4.504 4.120 -0.000 0.000 0.233 153 V C -1.937 174.164 176.094 0.011 0.000 1.097 153 V CA -0.356 61.973 62.300 0.048 0.000 1.134 153 V CB 0.347 32.176 31.823 0.009 0.000 0.841 153 V HN 0.259 nan 8.190 nan 0.000 0.496 154 P HA 0.210 nan 4.420 nan 0.000 0.220 154 P C -0.633 176.641 177.300 -0.043 0.000 1.806 154 P CA -0.184 62.867 63.100 -0.082 0.000 0.976 154 P CB -0.828 30.791 31.700 -0.136 0.000 1.952 155 R N 0.068 120.573 120.500 0.009 0.000 4.886 155 R HA 0.117 4.457 4.340 -0.000 0.000 0.181 155 R C 0.286 176.612 176.300 0.043 0.000 1.989 155 R CA -0.217 55.906 56.100 0.039 0.000 1.623 155 R CB -0.472 29.867 30.300 0.065 0.000 1.383 155 R HN 0.308 nan 8.270 nan 0.000 0.847 156 E N 1.328 121.540 120.200 0.019 0.000 2.447 156 E HA 0.079 4.429 4.350 -0.000 0.000 0.259 156 E C -0.335 176.331 176.600 0.108 0.000 1.196 156 E CA 0.058 56.496 56.400 0.063 0.000 0.995 156 E CB 0.571 30.295 29.700 0.041 0.000 0.974 156 E HN 0.603 nan 8.360 nan 0.000 0.465 157 A N 1.038 123.974 122.820 0.194 0.000 2.492 157 A HA 0.377 4.696 4.320 -0.000 0.000 0.254 157 A C 0.962 178.577 177.584 0.053 0.000 1.091 157 A CA 0.599 52.733 52.037 0.160 0.000 0.768 157 A CB -0.421 18.729 19.000 0.251 0.000 1.028 157 A HN 0.887 nan 8.150 nan 0.000 0.498 158 G N 2.073 110.891 108.800 0.029 0.000 2.225 158 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.267 158 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.267 158 G C 0.534 175.438 174.900 0.006 0.000 1.024 158 G CA 1.010 46.108 45.100 -0.002 0.000 0.784 158 G HN 2.061 nan 8.290 nan 0.000 0.507 159 S N -1.902 113.810 115.700 0.020 0.000 2.694 159 S HA 0.644 5.114 4.470 -0.000 0.000 0.278 159 S C 1.231 175.840 174.600 0.014 0.000 1.152 159 S CA 0.524 58.733 58.200 0.014 0.000 1.010 159 S CB 1.656 64.864 63.200 0.014 0.000 1.104 159 S HN 0.394 nan 8.310 nan 0.000 0.547 160 Q N 0.784 120.589 119.800 0.009 0.000 2.049 160 Q HA 0.007 4.346 4.340 -0.000 0.000 0.198 160 Q C 1.728 177.744 176.000 0.027 0.000 0.971 160 Q CA 1.649 57.458 55.803 0.011 0.000 0.833 160 Q CB -0.364 28.373 28.738 -0.002 0.000 0.896 160 Q HN 0.646 nan 8.270 nan 0.000 0.434 161 K N 1.245 121.662 120.400 0.029 0.000 2.032 161 K HA -0.187 4.133 4.320 -0.000 0.000 0.209 161 K C 1.815 178.475 176.600 0.100 0.000 1.048 161 K CA 1.537 57.866 56.287 0.070 0.000 0.927 161 K CB -0.971 31.564 32.500 0.057 0.000 0.712 161 K HN 0.437 nan 8.250 nan 0.000 0.441 162 D N 1.401 121.838 120.400 0.062 0.000 2.205 162 D HA -0.245 4.395 4.640 -0.000 0.000 0.190 162 D C 1.799 178.123 176.300 0.040 0.000 1.002 162 D CA 1.590 55.619 54.000 0.049 0.000 0.848 162 D CB -0.089 40.736 40.800 0.041 0.000 0.975 162 D HN 0.339 nan 8.370 nan 0.000 0.449 163 E N -0.381 119.839 120.200 0.033 0.000 2.219 163 E HA -0.202 4.148 4.350 -0.000 0.000 0.198 163 E C 1.955 178.584 176.600 0.047 0.000 0.998 163 E CA 0.817 57.232 56.400 0.025 0.000 0.818 163 E CB 0.082 29.793 29.700 0.018 0.000 0.741 163 E HN 0.307 nan 8.360 nan 0.000 0.477 164 N N 0.510 119.264 118.700 0.090 0.000 2.062 164 N HA -0.166 4.574 4.740 -0.000 0.000 0.191 164 N C 1.893 177.520 175.510 0.196 0.000 1.042 164 N CA 0.793 53.940 53.050 0.161 0.000 0.845 164 N CB -0.535 38.085 38.487 0.221 0.000 1.024 164 N HN 0.166 nan 8.380 nan 0.000 0.424 165 L N 1.656 122.970 121.223 0.150 0.000 2.079 165 L HA -0.066 4.274 4.340 -0.000 0.000 0.210 165 L C 2.149 178.977 176.870 -0.071 0.000 1.081 165 L CA 1.460 56.230 54.840 -0.116 0.000 0.752 165 L CB -1.090 40.810 42.059 -0.264 0.000 0.896 165 L HN 0.144 nan 8.230 nan 0.000 0.433 166 A N -0.223 122.565 122.820 -0.053 0.000 1.873 166 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 166 A C 2.239 179.760 177.584 -0.106 0.000 1.193 166 A CA 2.275 54.255 52.037 -0.096 0.000 0.629 166 A CB -1.040 17.928 19.000 -0.055 0.000 0.826 166 A HN 0.513 nan 8.150 nan 0.000 0.447 167 L N -2.003 119.202 121.223 -0.030 0.000 2.201 167 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 167 L C 2.593 179.451 176.870 -0.020 0.000 1.105 167 L CA 1.464 56.291 54.840 -0.021 0.000 0.775 167 L CB -0.712 41.362 42.059 0.025 0.000 0.913 167 L HN 0.608 nan 8.230 nan 0.000 0.440 168 Y N 0.949 121.165 120.300 -0.141 0.000 2.133 168 Y HA -0.181 4.369 4.550 -0.000 0.000 0.287 168 Y C 2.398 178.117 175.900 -0.301 0.000 1.134 168 Y CA 1.356 59.351 58.100 -0.176 0.000 1.133 168 Y CB -0.556 37.788 38.460 -0.194 0.000 0.987 168 Y HN -0.162 nan 8.280 nan 0.000 0.502 169 V N 0.990 120.568 119.914 -0.559 0.000 2.287 169 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 169 V C 2.422 177.960 176.094 -0.927 0.000 1.053 169 V CA 2.299 64.064 62.300 -0.892 0.000 1.027 169 V CB -0.863 30.499 31.823 -0.769 0.000 0.646 169 V HN 0.478 nan 8.190 nan 0.000 0.447 170 E N 0.271 120.154 120.200 -0.528 0.000 2.070 170 E HA -0.311 4.039 4.350 -0.000 0.000 0.197 170 E C 2.231 178.705 176.600 -0.211 0.000 1.004 170 E CA 1.776 58.004 56.400 -0.287 0.000 0.805 170 E CB -0.205 29.417 29.700 -0.129 0.000 0.744 170 E HN 0.610 nan 8.360 nan 0.000 0.451 171 N N 0.007 118.566 118.700 -0.234 0.000 2.135 171 N HA -0.148 4.592 4.740 -0.000 0.000 0.186 171 N C 1.718 177.036 175.510 -0.320 0.000 1.027 171 N CA 0.880 53.820 53.050 -0.184 0.000 0.849 171 N CB 0.014 38.435 38.487 -0.109 0.000 1.002 171 N HN 0.175 nan 8.380 nan 0.000 0.425 172 E N 0.577 120.435 120.200 -0.570 0.000 2.070 172 E HA -0.179 4.171 4.350 -0.000 0.000 0.197 172 E C 2.002 178.061 176.600 -0.902 0.000 1.004 172 E CA 0.835 56.691 56.400 -0.905 0.000 0.805 172 E CB -0.616 28.436 29.700 -1.080 0.000 0.744 172 E HN 0.501 nan 8.360 nan 0.000 0.451 173 F N 0.832 120.533 119.950 -0.415 0.000 2.095 173 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 173 F C 2.772 178.533 175.800 -0.064 0.000 1.104 173 F CA 0.788 58.760 58.000 -0.047 0.000 1.232 173 F CB -0.131 38.846 39.000 -0.037 0.000 0.987 173 F HN 0.003 nan 8.300 nan 0.000 0.475 174 R N 0.223 120.774 120.500 0.085 0.000 2.083 174 R HA -0.215 4.125 4.340 -0.000 0.000 0.237 174 R C 2.033 178.329 176.300 -0.007 0.000 1.137 174 R CA 1.728 57.859 56.100 0.051 0.000 0.951 174 R CB -0.587 29.725 30.300 0.019 0.000 0.851 174 R HN 0.359 nan 8.270 nan 0.000 0.434 175 E N 0.182 120.292 120.200 -0.151 0.000 2.110 175 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 175 E C 1.236 177.792 176.600 -0.073 0.000 0.988 175 E CA 0.961 57.258 56.400 -0.171 0.000 0.804 175 E CB 0.016 29.527 29.700 -0.316 0.000 0.745 175 E HN 0.190 nan 8.360 nan 0.000 0.458 176 F N 0.830 120.803 119.950 0.038 0.000 2.583 176 F HA 0.003 4.530 4.527 -0.000 0.000 0.297 176 F C 1.434 177.257 175.800 0.038 0.000 1.131 176 F CA 1.059 59.078 58.000 0.033 0.000 1.467 176 F CB -0.396 38.620 39.000 0.027 0.000 1.097 176 F HN -0.004 nan 8.300 nan 0.000 0.586 177 K N -0.114 120.398 120.400 0.188 0.000 3.209 177 K HA -0.234 4.086 4.320 -0.000 0.000 0.289 177 K C -0.235 176.450 176.600 0.141 0.000 1.191 177 K CA 0.430 56.799 56.287 0.136 0.000 0.851 177 K CB -1.619 30.951 32.500 0.118 0.000 1.242 177 K HN 0.297 nan 8.250 nan 0.000 0.480 178 L N -1.964 119.358 121.223 0.165 0.000 2.476 178 L HA 0.412 4.752 4.340 -0.000 0.000 0.255 178 L C 1.189 178.138 176.870 0.131 0.000 1.218 178 L CA -0.013 54.909 54.840 0.137 0.000 0.819 178 L CB 0.481 42.600 42.059 0.100 0.000 1.119 178 L HN 0.050 nan 8.230 nan 0.000 0.485 179 S N -0.465 115.314 115.700 0.132 0.000 2.629 179 S HA 0.151 4.621 4.470 -0.000 0.000 0.250 179 S C 0.316 175.024 174.600 0.180 0.000 1.318 179 S CA -0.212 58.068 58.200 0.133 0.000 0.970 179 S CB 0.056 63.328 63.200 0.120 0.000 0.996 179 S HN 0.654 nan 8.310 nan 0.000 0.563 180 K N 0.063 120.582 120.400 0.198 0.000 2.604 180 K HA 0.098 4.418 4.320 -0.000 0.000 0.278 180 K C -0.524 176.341 176.600 0.443 0.000 0.975 180 K CA 0.702 57.157 56.287 0.282 0.000 1.066 180 K CB -0.271 32.367 32.500 0.229 0.000 0.840 180 K HN 0.424 nan 8.250 nan 0.000 0.491 181 V N 4.220 124.425 119.914 0.486 0.000 2.752 181 V HA 0.787 4.907 4.120 -0.000 0.000 0.302 181 V C -1.909 174.487 176.094 0.502 0.000 1.133 181 V CA -0.504 62.044 62.300 0.413 0.000 0.919 181 V CB 0.628 32.598 31.823 0.244 0.000 1.026 181 V HN 0.879 nan 8.190 nan 0.000 0.429 182 W N 4.954 126.365 121.300 0.186 0.000 3.335 182 W HA 0.885 5.545 4.660 -0.000 0.000 0.335 182 W C -0.828 175.812 176.519 0.202 0.000 1.164 182 W CA -1.271 56.168 57.345 0.158 0.000 1.010 182 W CB 1.002 30.530 29.460 0.113 0.000 1.524 182 W HN 0.565 nan 8.180 nan 0.000 0.605 183 R N 0.422 121.109 120.500 0.311 0.000 2.832 183 R HA 0.433 4.773 4.340 -0.000 0.000 0.271 183 R C -1.788 174.699 176.300 0.313 0.000 0.996 183 R CA -0.879 55.334 56.100 0.187 0.000 0.977 183 R CB 1.830 32.216 30.300 0.144 0.000 1.168 183 R HN 0.475 nan 8.270 nan 0.000 0.482 184 D N 0.904 121.459 120.400 0.259 0.000 2.473 184 D HA 0.085 4.725 4.640 -0.000 0.000 0.253 184 D C -1.232 175.139 176.300 0.118 0.000 1.233 184 D CA -0.407 53.774 54.000 0.301 0.000 0.908 184 D CB 1.274 42.420 40.800 0.577 0.000 1.170 184 D HN 0.301 nan 8.370 nan 0.000 0.558 185 Q N 2.556 122.338 119.800 -0.030 0.000 2.260 185 Q HA 0.398 4.738 4.340 -0.000 0.000 0.242 185 Q C -0.945 174.844 176.000 -0.353 0.000 0.932 185 Q CA -0.390 55.348 55.803 -0.107 0.000 0.891 185 Q CB 0.745 29.474 28.738 -0.016 0.000 1.222 185 Q HN 0.549 nan 8.270 nan 0.000 0.453 186 H N 2.024 121.076 119.070 -0.029 0.000 3.094 186 H HA 0.263 4.819 4.556 -0.000 0.000 0.346 186 H C -1.621 173.611 175.328 -0.160 0.000 1.238 186 H CA -0.482 55.585 56.048 0.033 0.000 1.209 186 H CB 0.832 30.648 29.762 0.090 0.000 1.911 186 H HN 0.602 nan 8.280 nan 0.000 0.540 187 F N 2.245 122.340 119.950 0.241 0.000 2.443 187 F HA 0.296 4.823 4.527 -0.000 0.000 0.369 187 F C 0.407 176.312 175.800 0.175 0.000 1.090 187 F CA -0.755 57.353 58.000 0.180 0.000 1.129 187 F CB 1.205 40.307 39.000 0.170 0.000 1.367 187 F HN 0.203 nan 8.300 nan 0.000 0.465 188 V N -0.311 119.745 119.914 0.237 0.000 2.850 188 V HA 0.596 4.716 4.120 -0.000 0.000 0.315 188 V C -0.322 175.888 176.094 0.193 0.000 1.064 188 V CA -1.177 61.246 62.300 0.205 0.000 0.979 188 V CB 1.901 33.796 31.823 0.119 0.000 1.039 188 V HN 0.479 nan 8.190 nan 0.000 0.452 189 K N 3.035 123.592 120.400 0.262 0.000 2.285 189 K HA 0.520 4.840 4.320 -0.000 0.000 0.286 189 K C -1.082 175.643 176.600 0.208 0.000 1.072 189 K CA -0.346 56.093 56.287 0.254 0.000 0.913 189 K CB 1.240 33.927 32.500 0.312 0.000 1.067 189 K HN 0.550 nan 8.250 nan 0.000 0.479 190 I N 1.969 122.527 120.570 -0.020 0.000 2.793 190 I HA 0.140 4.310 4.170 -0.000 0.000 0.313 190 I C 0.027 176.040 176.117 -0.172 0.000 0.998 190 I CA -0.494 60.622 61.300 -0.306 0.000 1.140 190 I CB 1.775 39.395 38.000 -0.634 0.000 1.327 190 I HN 0.494 nan 8.210 nan 0.000 0.491 191 Q N 4.041 123.720 119.800 -0.201 0.000 2.312 191 Q HA 0.761 5.101 4.340 -0.000 0.000 0.263 191 Q C -1.649 174.508 176.000 0.260 0.000 0.995 191 Q CA -0.679 55.129 55.803 0.009 0.000 0.853 191 Q CB 1.843 30.542 28.738 -0.065 0.000 1.300 191 Q HN 0.559 nan 8.270 nan 0.000 0.448 192 V N -0.002 119.982 119.914 0.116 0.000 3.102 192 V HA 0.561 4.681 4.120 -0.000 0.000 0.312 192 V C -0.739 175.194 176.094 -0.268 0.000 1.135 192 V CA -1.318 60.949 62.300 -0.054 0.000 1.022 192 V CB 1.711 33.517 31.823 -0.028 0.000 1.056 192 V HN 0.829 nan 8.190 nan 0.000 0.436 193 K N 1.608 121.665 120.400 -0.573 0.000 2.412 193 K HA 0.133 4.453 4.320 -0.000 0.000 0.284 193 K C -0.229 176.265 176.600 -0.177 0.000 1.046 193 K CA 0.051 56.092 56.287 -0.410 0.000 0.999 193 K CB 0.244 32.485 32.500 -0.431 0.000 0.941 193 K HN 0.980 nan 8.250 nan 0.000 0.474 194 D N 1.960 122.297 120.400 -0.105 0.000 2.357 194 D HA -0.043 4.597 4.640 -0.000 0.000 0.242 194 D C 1.079 177.349 176.300 -0.050 0.000 1.153 194 D CA 0.219 54.184 54.000 -0.057 0.000 0.918 194 D CB 1.070 41.852 40.800 -0.031 0.000 1.181 194 D HN 0.476 nan 8.370 nan 0.000 0.435 195 S N 1.788 117.466 115.700 -0.036 0.000 2.407 195 S HA -0.185 4.285 4.470 -0.000 0.000 0.235 195 S C 1.101 175.686 174.600 -0.024 0.000 1.036 195 S CA 0.602 58.784 58.200 -0.029 0.000 1.013 195 S CB -0.672 62.515 63.200 -0.023 0.000 0.820 195 S HN 0.643 nan 8.310 nan 0.000 0.476 196 A N 2.313 125.120 122.820 -0.021 0.000 2.440 196 A HA 0.374 4.694 4.320 -0.000 0.000 0.251 196 A C 0.423 177.997 177.584 -0.017 0.000 1.089 196 A CA -0.380 51.647 52.037 -0.016 0.000 0.779 196 A CB 0.165 19.158 19.000 -0.011 0.000 1.022 196 A HN 0.322 nan 8.150 nan 0.000 0.492 197 Q N 1.896 121.687 119.800 -0.014 0.000 2.304 197 Q HA 0.107 4.447 4.340 -0.000 0.000 0.260 197 Q C -0.314 175.681 176.000 -0.008 0.000 0.965 197 Q CA 0.169 55.965 55.803 -0.012 0.000 0.898 197 Q CB 0.599 29.330 28.738 -0.012 0.000 1.196 197 Q HN 0.760 nan 8.270 nan 0.000 0.402 198 N N 1.092 119.792 118.700 -0.001 0.000 2.529 198 N HA 0.271 5.011 4.740 -0.000 0.000 0.278 198 N C -0.464 175.048 175.510 0.003 0.000 1.146 198 N CA 0.066 53.120 53.050 0.008 0.000 0.980 198 N CB 1.169 39.670 38.487 0.024 0.000 1.124 198 N HN 0.564 nan 8.380 nan 0.000 0.458 199 S N -1.141 114.558 115.700 -0.001 0.000 2.565 199 S HA 0.508 4.978 4.470 -0.000 0.000 0.269 199 S C -0.859 173.734 174.600 -0.012 0.000 1.153 199 S CA -0.970 57.222 58.200 -0.013 0.000 0.835 199 S CB 1.061 64.241 63.200 -0.033 0.000 1.122 199 S HN 0.275 nan 8.310 nan 0.000 0.462 200 V N -0.148 119.754 119.914 -0.020 0.000 2.448 200 V HA 0.933 5.053 4.120 -0.000 0.000 0.295 200 V C -0.761 175.314 176.094 -0.032 0.000 1.025 200 V CA -0.664 61.626 62.300 -0.016 0.000 0.859 200 V CB 0.830 32.646 31.823 -0.011 0.000 0.988 200 V HN 1.072 nan 8.190 nan 0.000 0.431 201 I N 4.990 125.545 120.570 -0.025 0.000 2.571 201 I HA 0.589 4.759 4.170 -0.000 0.000 0.289 201 I C -0.527 175.584 176.117 -0.011 0.000 1.115 201 I CA -0.851 60.430 61.300 -0.032 0.000 1.045 201 I CB 1.774 39.747 38.000 -0.044 0.000 1.238 201 I HN 0.715 nan 8.210 nan 0.000 0.424 202 I N 7.759 128.327 120.570 -0.003 0.000 2.556 202 I HA 0.481 4.651 4.170 -0.000 0.000 0.284 202 I C -0.119 176.005 176.117 0.011 0.000 1.114 202 I CA -0.282 61.024 61.300 0.010 0.000 1.418 202 I CB 0.939 38.951 38.000 0.019 0.000 1.394 202 I HN 0.538 nan 8.210 nan 0.000 0.552 203 V N 5.465 125.387 119.914 0.014 0.000 3.167 203 V HA 0.389 4.509 4.120 -0.000 0.000 0.293 203 V C -1.146 174.959 176.094 0.018 0.000 1.379 203 V CA -0.665 61.643 62.300 0.014 0.000 1.019 203 V CB 2.223 34.051 31.823 0.008 0.000 1.115 203 V HN 0.733 nan 8.190 nan 0.000 0.442 204 D N 1.778 122.188 120.400 0.017 0.000 2.430 204 D HA 0.362 5.002 4.640 -0.000 0.000 0.285 204 D C 0.729 177.039 176.300 0.017 0.000 1.210 204 D CA -0.261 53.750 54.000 0.019 0.000 1.080 204 D CB 0.907 41.718 40.800 0.018 0.000 1.134 204 D HN 0.709 nan 8.370 nan 0.000 0.562 205 K N 0.600 121.011 120.400 0.017 0.000 2.668 205 K HA 0.010 4.330 4.320 -0.000 0.000 0.204 205 K C 0.114 176.722 176.600 0.014 0.000 1.016 205 K CA 0.226 56.523 56.287 0.016 0.000 1.131 205 K CB -0.528 31.981 32.500 0.016 0.000 0.891 205 K HN 0.312 nan 8.250 nan 0.000 0.499 206 N N -2.425 116.283 118.700 0.013 0.000 3.197 206 N HA -0.115 4.625 4.740 -0.000 0.000 0.319 206 N C -0.514 175.002 175.510 0.010 0.000 1.276 206 N CA -0.293 52.764 53.050 0.011 0.000 0.799 206 N CB -0.541 37.952 38.487 0.010 0.000 1.793 206 N HN -0.031 nan 8.380 nan 0.000 0.349 207 G N 1.305 110.111 108.800 0.009 0.000 2.318 207 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.218 207 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.218 207 G C 0.305 175.211 174.900 0.009 0.000 0.329 207 G CA 0.933 46.038 45.100 0.009 0.000 1.034 207 G HN 0.932 nan 8.290 nan 0.000 0.438 208 R N 2.117 122.620 120.500 0.005 0.000 3.097 208 R HA 0.378 4.718 4.340 -0.000 0.000 0.212 208 R C 0.900 177.203 176.300 0.006 0.000 1.651 208 R CA -0.488 55.613 56.100 0.003 0.000 1.134 208 R CB 0.073 30.369 30.300 -0.006 0.000 1.241 208 R HN 0.412 nan 8.270 nan 0.000 0.640 209 L N 2.506 123.737 121.223 0.013 0.000 2.341 209 L HA 0.125 4.465 4.340 -0.000 0.000 0.185 209 L C 0.776 177.662 176.870 0.027 0.000 1.091 209 L CA 0.527 55.379 54.840 0.021 0.000 0.899 209 L CB 0.240 42.313 42.059 0.024 0.000 1.357 209 L HN 0.495 nan 8.230 nan 0.000 0.535 210 V N -1.166 118.775 119.914 0.045 0.000 3.868 210 V HA -0.340 3.780 4.120 -0.000 0.000 0.549 210 V C -0.429 175.725 176.094 0.100 0.000 0.697 210 V CA 1.066 63.411 62.300 0.076 0.000 2.118 210 V CB -0.598 31.268 31.823 0.071 0.000 2.500 210 V HN 1.112 nan 8.190 nan 0.000 0.523 211 Y N 3.476 123.776 120.300 -0.000 0.000 2.299 211 Y HA 0.531 5.081 4.550 -0.000 0.000 0.335 211 Y C 0.146 176.045 175.900 -0.002 0.000 1.287 211 Y CA -0.369 57.731 58.100 -0.000 0.000 1.424 211 Y CB 0.688 39.148 38.460 -0.001 0.000 1.326 211 Y HN 0.807 nan 8.280 nan 0.000 0.567 212 L N 6.171 126.842 121.223 -0.921 0.000 2.574 212 L HA 0.051 4.391 4.340 -0.000 0.000 0.281 212 L C 0.709 177.105 176.870 -0.790 0.000 1.212 212 L CA 0.410 54.815 54.840 -0.726 0.000 1.082 212 L CB -1.013 40.670 42.059 -0.626 0.000 1.362 212 L HN 0.878 nan 8.230 nan 0.000 0.451 213 V N 2.366 122.145 119.914 -0.225 0.000 2.251 213 V HA -0.300 3.820 4.120 -0.000 0.000 0.259 213 V C 1.027 177.154 176.094 0.055 0.000 1.078 213 V CA 2.234 64.564 62.300 0.049 0.000 1.072 213 V CB -0.807 31.025 31.823 0.016 0.000 0.681 213 V HN 0.921 nan 8.190 nan 0.000 0.454 214 E N -1.628 118.543 120.200 -0.048 0.000 2.472 214 E HA 0.177 4.527 4.350 -0.000 0.000 0.290 214 E C -1.442 175.143 176.600 -0.026 0.000 1.059 214 E CA -0.536 55.859 56.400 -0.008 0.000 0.861 214 E CB 0.798 30.525 29.700 0.044 0.000 1.213 214 E HN 0.271 nan 8.360 nan 0.000 0.425 215 N N 4.621 123.313 118.700 -0.013 0.000 2.949 215 N HA 0.273 5.013 4.740 -0.000 0.000 0.243 215 N C -2.618 172.909 175.510 0.028 0.000 1.113 215 N CA -1.308 51.740 53.050 -0.004 0.000 0.980 215 N CB 1.004 39.486 38.487 -0.010 0.000 1.256 215 N HN 0.268 nan 8.380 nan 0.000 0.508 216 P HA -0.106 nan 4.420 nan 0.000 0.262 216 P C 1.131 178.483 177.300 0.086 0.000 1.151 216 P CA 0.426 63.555 63.100 0.050 0.000 0.757 216 P CB 0.694 32.410 31.700 0.026 0.000 0.754 217 G N 2.597 111.472 108.800 0.126 0.000 2.494 217 G HA2 0.147 4.107 3.960 -0.000 0.000 0.216 217 G HA3 0.147 4.107 3.960 -0.000 0.000 0.216 217 G C 0.740 175.835 174.900 0.326 0.000 1.140 217 G CA 0.690 45.906 45.100 0.193 0.000 0.801 217 G HN 0.692 nan 8.290 nan 0.000 0.536 218 G N -1.236 107.723 108.800 0.265 0.000 2.938 218 G HA2 0.651 4.611 3.960 -0.000 0.000 0.258 218 G HA3 0.651 4.611 3.960 -0.000 0.000 0.258 218 G C -1.066 173.959 174.900 0.209 0.000 1.356 218 G CA -0.783 44.469 45.100 0.254 0.000 1.052 218 G HN 0.578 nan 8.290 nan 0.000 0.550 219 Y N -3.530 116.649 120.300 -0.202 0.000 2.713 219 Y HA 0.622 5.172 4.550 -0.000 0.000 0.335 219 Y C -1.371 174.358 175.900 -0.284 0.000 1.222 219 Y CA -1.552 56.452 58.100 -0.161 0.000 1.061 219 Y CB 1.367 39.813 38.460 -0.023 0.000 1.314 219 Y HN 0.404 nan 8.280 nan 0.000 0.453 220 V N 2.979 122.673 119.914 -0.367 0.000 2.318 220 V HA 0.660 4.780 4.120 -0.000 0.000 0.271 220 V C 0.703 176.571 176.094 -0.377 0.000 1.030 220 V CA -0.276 61.699 62.300 -0.541 0.000 0.844 220 V CB 0.233 31.898 31.823 -0.265 0.000 1.015 220 V HN 1.006 nan 8.190 nan 0.000 0.460 221 A N 3.766 126.220 122.820 -0.609 0.000 2.504 221 A HA 0.322 4.642 4.320 -0.000 0.000 0.242 221 A C 0.607 178.191 177.584 -0.000 0.000 1.100 221 A CA 0.299 52.184 52.037 -0.253 0.000 0.786 221 A CB -0.548 18.254 19.000 -0.330 0.000 1.050 221 A HN 1.083 nan 8.150 nan 0.000 0.512 222 Y N -0.883 119.502 120.300 0.142 0.000 4.317 222 Y HA -0.238 4.312 4.550 -0.000 0.000 0.212 222 Y C 1.291 177.249 175.900 0.098 0.000 1.080 222 Y CA 0.965 59.136 58.100 0.118 0.000 1.735 222 Y CB -1.899 36.609 38.460 0.079 0.000 1.567 222 Y HN 0.687 nan 8.280 nan 0.000 0.619 223 S N 0.773 116.579 115.700 0.177 0.000 2.576 223 S HA 0.288 4.758 4.470 -0.000 0.000 0.276 223 S C 0.277 174.957 174.600 0.135 0.000 1.339 223 S CA -0.783 57.499 58.200 0.136 0.000 1.039 223 S CB 0.782 64.040 63.200 0.096 0.000 0.902 223 S HN 0.272 nan 8.310 nan 0.000 0.516 224 K N 3.182 123.650 120.400 0.114 0.000 2.472 224 K HA 0.252 4.572 4.320 -0.000 0.000 0.280 224 K C -0.221 176.431 176.600 0.086 0.000 1.028 224 K CA 0.489 56.836 56.287 0.100 0.000 1.045 224 K CB 0.006 32.555 32.500 0.083 0.000 0.902 224 K HN 0.588 nan 8.250 nan 0.000 0.478 225 A N 3.884 126.753 122.820 0.082 0.000 2.539 225 A HA 0.574 4.894 4.320 -0.000 0.000 0.306 225 A C -0.258 177.357 177.584 0.052 0.000 1.392 225 A CA 0.353 52.429 52.037 0.066 0.000 1.060 225 A CB -0.721 18.317 19.000 0.062 0.000 1.134 225 A HN 0.952 nan 8.150 nan 0.000 0.542 226 A N 1.546 124.394 122.820 0.047 0.000 2.483 226 A HA 0.882 5.202 4.320 -0.000 0.000 0.306 226 A C -0.415 177.190 177.584 0.034 0.000 1.137 226 A CA 0.124 52.184 52.037 0.039 0.000 0.626 226 A CB 0.708 19.732 19.000 0.041 0.000 1.352 226 A HN 1.486 nan 8.150 nan 0.000 0.508 227 T N -0.202 114.369 114.554 0.029 0.000 3.237 227 T HA 0.625 4.975 4.350 -0.000 0.000 0.319 227 T C -1.326 173.389 174.700 0.025 0.000 1.037 227 T CA 0.262 62.377 62.100 0.025 0.000 1.048 227 T CB 0.497 69.377 68.868 0.019 0.000 1.081 227 T HN 2.202 nan 8.240 nan 0.000 0.455 228 V N 1.457 121.387 119.914 0.026 0.000 3.188 228 V HA 0.997 5.117 4.120 -0.000 0.000 0.305 228 V C -0.523 175.587 176.094 0.026 0.000 1.232 228 V CA -0.740 61.576 62.300 0.026 0.000 1.043 228 V CB 1.573 33.414 31.823 0.031 0.000 1.068 228 V HN 0.935 nan 8.190 nan 0.000 0.439 229 T N 0.006 114.575 114.554 0.025 0.000 2.903 229 T HA 0.954 5.304 4.350 -0.000 0.000 0.299 229 T C -0.203 174.514 174.700 0.029 0.000 1.093 229 T CA 0.495 62.610 62.100 0.026 0.000 1.002 229 T CB 1.389 70.269 68.868 0.020 0.000 1.127 229 T HN 2.421 nan 8.240 nan 0.000 0.488 230 G N 2.123 110.943 108.800 0.033 0.000 2.336 230 G HA2 0.313 4.273 3.960 -0.000 0.000 0.286 230 G HA3 0.313 4.273 3.960 -0.000 0.000 0.286 230 G C -1.499 173.427 174.900 0.043 0.000 1.269 230 G CA -0.917 44.204 45.100 0.036 0.000 0.873 230 G HN 0.829 nan 8.290 nan 0.000 0.494 231 K N -0.740 119.688 120.400 0.047 0.000 2.344 231 K HA 0.352 4.672 4.320 -0.000 0.000 0.260 231 K C -0.842 175.800 176.600 0.070 0.000 0.988 231 K CA -0.050 56.271 56.287 0.057 0.000 0.909 231 K CB 0.967 33.501 32.500 0.056 0.000 0.968 231 K HN 0.361 nan 8.250 nan 0.000 0.505 232 L N 2.262 123.537 121.223 0.087 0.000 2.454 232 L HA 0.212 4.552 4.340 -0.000 0.000 0.258 232 L C -1.020 175.944 176.870 0.157 0.000 1.025 232 L CA -0.553 54.353 54.840 0.111 0.000 0.901 232 L CB 1.314 43.431 42.059 0.097 0.000 1.210 232 L HN 0.321 nan 8.230 nan 0.000 0.457 233 V N 2.715 122.727 119.914 0.164 0.000 2.953 233 V HA 0.263 4.383 4.120 -0.000 0.000 0.304 233 V C -0.378 175.898 176.094 0.303 0.000 1.073 233 V CA -0.536 61.887 62.300 0.205 0.000 1.064 233 V CB 1.266 33.182 31.823 0.156 0.000 1.047 233 V HN 0.781 nan 8.190 nan 0.000 0.478 234 H N 2.265 121.468 119.070 0.221 0.000 2.645 234 H HA 0.622 5.178 4.556 -0.000 0.000 0.257 234 H C -0.073 175.405 175.328 0.250 0.000 1.269 234 H CA -0.422 55.790 56.048 0.273 0.000 1.409 234 H CB 0.433 30.411 29.762 0.360 0.000 1.434 234 H HN 0.773 nan 8.280 nan 0.000 0.505 235 A N 4.640 127.465 122.820 0.008 0.000 2.666 235 A HA 0.177 4.497 4.320 -0.000 0.000 0.312 235 A C 0.454 177.861 177.584 -0.294 0.000 1.471 235 A CA -0.512 51.484 52.037 -0.069 0.000 1.134 235 A CB -0.974 18.056 19.000 0.050 0.000 1.129 235 A HN 0.921 nan 8.150 nan 0.000 0.539 236 N N 2.112 120.392 118.700 -0.700 0.000 2.098 236 N HA -0.162 4.578 4.740 -0.000 0.000 0.268 236 N C -0.165 175.176 175.510 -0.282 0.000 1.238 236 N CA 0.864 53.337 53.050 -0.962 0.000 0.822 236 N CB -0.621 36.467 38.487 -2.333 0.000 1.063 236 N HN 0.603 nan 8.380 nan 0.000 0.471 237 F N 0.939 120.757 119.950 -0.220 0.000 2.284 237 F HA -0.242 4.284 4.527 -0.000 0.000 0.197 237 F C 1.685 177.427 175.800 -0.096 0.000 1.023 237 F CA 0.029 57.983 58.000 -0.077 0.000 0.858 237 F CB -1.331 37.728 39.000 0.099 0.000 0.933 237 F HN 0.876 nan 8.300 nan 0.000 0.803 238 G N 3.176 112.006 108.800 0.050 0.000 2.379 238 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.281 238 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.281 238 G C 0.931 175.804 174.900 -0.045 0.000 0.855 238 G CA 1.352 46.426 45.100 -0.043 0.000 1.105 238 G HN 1.972 nan 8.290 nan 0.000 0.482 239 T N -3.072 111.495 114.554 0.020 0.000 10.479 239 T HA -0.497 3.853 4.350 -0.000 0.000 0.411 239 T C 1.540 176.157 174.700 -0.138 0.000 1.504 239 T CA 2.593 64.710 62.100 0.027 0.000 2.475 239 T CB -1.668 67.205 68.868 0.008 0.000 2.895 239 T HN 2.089 nan 8.240 nan 0.000 1.096 240 K N 1.552 121.784 120.400 -0.280 0.000 3.445 240 K HA -0.438 3.882 4.320 -0.000 0.000 0.316 240 K C 0.984 177.384 176.600 -0.334 0.000 1.278 240 K CA 2.840 58.830 56.287 -0.495 0.000 0.976 240 K CB -1.268 30.491 32.500 -1.235 0.000 1.238 240 K HN 0.997 nan 8.250 nan 0.000 0.430 241 K N -1.518 118.772 120.400 -0.184 0.000 3.443 241 K HA -0.342 3.978 4.320 -0.000 0.000 0.323 241 K C 0.793 177.348 176.600 -0.075 0.000 0.757 241 K CA 2.281 58.507 56.287 -0.101 0.000 1.417 241 K CB -1.538 30.899 32.500 -0.104 0.000 1.338 241 K HN 0.423 nan 8.250 nan 0.000 0.459 242 D N -0.305 120.002 120.400 -0.155 0.000 2.106 242 D HA 0.017 4.657 4.640 -0.000 0.000 0.203 242 D C 1.685 178.062 176.300 0.129 0.000 0.977 242 D CA 1.701 55.665 54.000 -0.059 0.000 0.844 242 D CB -0.413 40.287 40.800 -0.166 0.000 1.002 242 D HN 0.463 nan 8.370 nan 0.000 0.461 243 F N 0.711 120.643 119.950 -0.030 0.000 2.346 243 F HA -0.129 4.398 4.527 -0.000 0.000 0.301 243 F C 2.182 177.995 175.800 0.022 0.000 1.070 243 F CA 0.298 58.274 58.000 -0.040 0.000 1.407 243 F CB -0.016 38.859 39.000 -0.208 0.000 1.072 243 F HN 0.036 nan 8.300 nan 0.000 0.543 244 E N 0.118 120.429 120.200 0.185 0.000 2.333 244 E HA -0.154 4.196 4.350 -0.000 0.000 0.198 244 E C 0.363 177.043 176.600 0.133 0.000 1.007 244 E CA 0.789 57.267 56.400 0.129 0.000 0.845 244 E CB -0.460 29.284 29.700 0.073 0.000 0.766 244 E HN 0.398 nan 8.360 nan 0.000 0.507 245 D N 1.250 121.742 120.400 0.152 0.000 2.801 245 D HA 0.095 4.735 4.640 -0.000 0.000 0.232 245 D C 0.342 176.744 176.300 0.170 0.000 1.128 245 D CA 0.068 54.150 54.000 0.137 0.000 1.003 245 D CB -0.379 40.497 40.800 0.126 0.000 1.110 245 D HN 0.083 nan 8.370 nan 0.000 0.477 246 L N -2.310 119.017 121.223 0.172 0.000 2.256 246 L HA 0.443 4.783 4.340 -0.000 0.000 0.261 246 L C 1.151 178.124 176.870 0.171 0.000 1.022 246 L CA -0.864 54.097 54.840 0.201 0.000 0.828 246 L CB 0.818 43.034 42.059 0.262 0.000 1.374 246 L HN -0.174 nan 8.230 nan 0.000 0.436 247 Y N 0.835 121.168 120.300 0.055 0.000 2.034 247 Y HA -0.066 4.484 4.550 -0.000 0.000 0.269 247 Y C 1.048 176.975 175.900 0.046 0.000 1.125 247 Y CA 1.973 60.094 58.100 0.035 0.000 1.097 247 Y CB -0.403 38.061 38.460 0.007 0.000 0.978 247 Y HN 0.700 nan 8.280 nan 0.000 0.480 248 T N 4.898 119.444 114.554 -0.013 0.000 2.871 248 T HA 0.097 4.447 4.350 -0.000 0.000 0.296 248 T C -2.323 172.344 174.700 -0.056 0.000 0.998 248 T CA -0.830 61.215 62.100 -0.092 0.000 1.162 248 T CB 0.434 69.355 68.868 0.088 0.000 0.947 248 T HN 0.258 nan 8.240 nan 0.000 0.536 249 P HA 0.226 nan 4.420 nan 0.000 0.282 249 P C 0.571 177.875 177.300 0.007 0.000 1.249 249 P CA -0.542 62.533 63.100 -0.040 0.000 0.806 249 P CB 1.131 32.792 31.700 -0.066 0.000 0.984 250 V N -1.755 118.175 119.914 0.026 0.000 3.483 250 V HA 0.203 4.323 4.120 -0.000 0.000 0.301 250 V C 0.838 176.953 176.094 0.034 0.000 1.389 250 V CA -0.282 62.043 62.300 0.043 0.000 1.101 250 V CB -1.389 30.468 31.823 0.057 0.000 0.971 250 V HN 0.395 nan 8.190 nan 0.000 0.434 251 N N 3.536 122.249 118.700 0.021 0.000 2.349 251 N HA 0.220 4.960 4.740 -0.000 0.000 0.296 251 N C 1.037 176.560 175.510 0.023 0.000 1.304 251 N CA 1.377 54.438 53.050 0.019 0.000 1.051 251 N CB -0.806 37.686 38.487 0.009 0.000 1.466 251 N HN 0.976 nan 8.380 nan 0.000 0.487 252 G N 2.018 110.836 108.800 0.029 0.000 2.545 252 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.279 252 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.279 252 G C -0.677 174.245 174.900 0.036 0.000 1.131 252 G CA 0.090 45.209 45.100 0.031 0.000 1.100 252 G HN 1.220 nan 8.290 nan 0.000 0.525 253 S N -0.916 114.810 115.700 0.043 0.000 2.558 253 S HA 0.661 5.131 4.470 -0.000 0.000 0.277 253 S C -0.167 174.470 174.600 0.061 0.000 1.143 253 S CA -0.969 57.262 58.200 0.051 0.000 0.865 253 S CB 1.374 64.607 63.200 0.054 0.000 1.102 253 S HN 0.922 nan 8.310 nan 0.000 0.454 254 I N 1.643 122.251 120.570 0.064 0.000 2.892 254 I HA 0.311 4.481 4.170 -0.000 0.000 0.287 254 I C -0.308 175.867 176.117 0.095 0.000 1.205 254 I CA -0.282 61.061 61.300 0.073 0.000 1.409 254 I CB 0.573 38.613 38.000 0.066 0.000 1.367 254 I HN 0.491 nan 8.210 nan 0.000 0.597 255 V N 6.182 126.160 119.914 0.106 0.000 2.876 255 V HA 0.488 4.608 4.120 -0.000 0.000 0.312 255 V C -0.163 176.034 176.094 0.173 0.000 1.085 255 V CA -0.617 61.767 62.300 0.140 0.000 0.945 255 V CB 2.215 34.108 31.823 0.117 0.000 1.017 255 V HN 0.431 nan 8.190 nan 0.000 0.428 256 I N 3.818 124.547 120.570 0.264 0.000 2.562 256 I HA 0.806 4.976 4.170 -0.000 0.000 0.301 256 I C -0.575 175.772 176.117 0.383 0.000 1.003 256 I CA -0.915 60.602 61.300 0.362 0.000 1.127 256 I CB 1.994 40.297 38.000 0.507 0.000 1.304 256 I HN 0.547 nan 8.210 nan 0.000 0.446 257 V N 2.146 122.213 119.914 0.256 0.000 3.178 257 V HA 0.608 4.728 4.120 -0.000 0.000 0.302 257 V C -0.853 175.169 176.094 -0.121 0.000 1.262 257 V CA -1.148 61.200 62.300 0.080 0.000 1.030 257 V CB 2.038 33.868 31.823 0.012 0.000 1.074 257 V HN 0.728 nan 8.190 nan 0.000 0.438 258 R N 1.770 122.185 120.500 -0.141 0.000 2.500 258 R HA 0.806 5.146 4.340 -0.000 0.000 0.277 258 R C 0.117 176.417 176.300 -0.001 0.000 1.026 258 R CA 0.027 55.998 56.100 -0.215 0.000 1.058 258 R CB 1.563 31.827 30.300 -0.060 0.000 1.078 258 R HN 1.148 nan 8.270 nan 0.000 0.509 259 A N 1.512 124.289 122.820 -0.071 0.000 2.350 259 A HA 0.541 4.861 4.320 -0.000 0.000 0.293 259 A C 0.367 177.992 177.584 0.069 0.000 1.231 259 A CA 0.449 52.382 52.037 -0.174 0.000 0.883 259 A CB 0.121 18.915 19.000 -0.344 0.000 1.133 259 A HN 0.891 nan 8.150 nan 0.000 0.533 260 G N 1.427 110.071 108.800 -0.259 0.000 3.218 260 G HA2 0.169 4.129 3.960 -0.000 0.000 0.143 260 G HA3 0.169 4.129 3.960 -0.000 0.000 0.143 260 G C 0.718 175.216 174.900 -0.670 0.000 1.220 260 G CA 0.028 44.760 45.100 -0.615 0.000 1.382 260 G HN 0.464 nan 8.290 nan 0.000 0.682 261 K N 0.110 119.892 120.400 -1.030 0.000 2.163 261 K HA -0.156 4.164 4.320 -0.000 0.000 0.210 261 K C 1.398 177.762 176.600 -0.393 0.000 1.048 261 K CA 2.008 57.933 56.287 -0.603 0.000 0.928 261 K CB -0.570 31.600 32.500 -0.550 0.000 0.716 261 K HN 0.561 nan 8.250 nan 0.000 0.459 262 I N -3.030 117.317 120.570 -0.372 0.000 3.522 262 I HA 0.275 4.445 4.170 -0.000 0.000 0.292 262 I C 0.008 175.987 176.117 -0.231 0.000 1.147 262 I CA -1.226 59.910 61.300 -0.274 0.000 1.032 262 I CB 1.706 39.554 38.000 -0.254 0.000 1.337 262 I HN -0.186 nan 8.210 nan 0.000 0.496 263 T N -1.921 112.529 114.554 -0.174 0.000 2.902 263 T HA 0.436 4.786 4.350 -0.000 0.000 0.283 263 T C 0.587 175.265 174.700 -0.035 0.000 1.009 263 T CA -0.453 61.600 62.100 -0.078 0.000 1.051 263 T CB 1.095 69.904 68.868 -0.099 0.000 0.999 263 T HN 0.461 nan 8.240 nan 0.000 0.474 264 F N 1.602 121.479 119.950 -0.121 0.000 2.063 264 F HA -0.116 4.410 4.527 -0.000 0.000 0.298 264 F C 2.980 178.727 175.800 -0.088 0.000 1.105 264 F CA 2.017 59.963 58.000 -0.090 0.000 1.215 264 F CB -1.428 37.513 39.000 -0.098 0.000 0.972 264 F HN 0.816 nan 8.300 nan 0.000 0.483 265 A N -0.047 122.834 122.820 0.102 0.000 1.881 265 A HA -0.315 4.005 4.320 -0.000 0.000 0.219 265 A C 2.165 179.739 177.584 -0.017 0.000 1.215 265 A CA 2.413 54.453 52.037 0.004 0.000 0.648 265 A CB -1.076 17.849 19.000 -0.124 0.000 0.832 265 A HN 0.527 nan 8.150 nan 0.000 0.455 266 E N -0.439 119.724 120.200 -0.061 0.000 2.047 266 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 266 E C 2.151 178.713 176.600 -0.063 0.000 0.987 266 E CA 1.301 57.655 56.400 -0.077 0.000 0.799 266 E CB -0.202 29.424 29.700 -0.123 0.000 0.752 266 E HN 0.614 nan 8.360 nan 0.000 0.449 267 K N 0.617 120.973 120.400 -0.073 0.000 2.034 267 K HA -0.189 4.130 4.320 -0.000 0.000 0.214 267 K C 2.288 178.878 176.600 -0.016 0.000 1.051 267 K CA 1.761 58.008 56.287 -0.068 0.000 0.931 267 K CB -0.416 32.018 32.500 -0.109 0.000 0.715 267 K HN 0.007 nan 8.250 nan 0.000 0.446 268 V N 1.496 121.420 119.914 0.017 0.000 2.261 268 V HA -0.286 3.833 4.120 -0.000 0.000 0.246 268 V C 2.483 178.595 176.094 0.031 0.000 1.047 268 V CA 2.024 64.349 62.300 0.041 0.000 1.015 268 V CB -1.003 30.862 31.823 0.070 0.000 0.642 268 V HN 0.408 nan 8.190 nan 0.000 0.446 269 A N 1.027 123.859 122.820 0.021 0.000 1.896 269 A HA -0.329 3.991 4.320 -0.000 0.000 0.220 269 A C 2.090 179.681 177.584 0.012 0.000 1.206 269 A CA 2.552 54.599 52.037 0.016 0.000 0.647 269 A CB -0.878 18.122 19.000 0.001 0.000 0.828 269 A HN 0.653 nan 8.150 nan 0.000 0.455 270 N N 0.293 118.991 118.700 -0.003 0.000 2.084 270 N HA -0.131 4.609 4.740 -0.000 0.000 0.190 270 N C 2.003 177.522 175.510 0.015 0.000 1.030 270 N CA 1.639 54.688 53.050 -0.002 0.000 0.849 270 N CB -0.808 37.666 38.487 -0.022 0.000 1.012 270 N HN 0.503 nan 8.380 nan 0.000 0.423 271 A N 1.422 124.255 122.820 0.021 0.000 1.884 271 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 271 A C 2.160 179.766 177.584 0.037 0.000 1.197 271 A CA 2.043 54.101 52.037 0.035 0.000 0.637 271 A CB -0.802 18.224 19.000 0.043 0.000 0.827 271 A HN 0.498 nan 8.150 nan 0.000 0.450 272 E N 0.049 120.271 120.200 0.036 0.000 2.208 272 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 272 E C 2.034 178.653 176.600 0.033 0.000 0.988 272 E CA 1.165 57.588 56.400 0.038 0.000 0.828 272 E CB -0.110 29.615 29.700 0.042 0.000 0.763 272 E HN 0.765 nan 8.360 nan 0.000 0.478 273 S N 0.109 115.826 115.700 0.028 0.000 2.447 273 S HA -0.060 4.410 4.470 -0.000 0.000 0.233 273 S C 1.537 176.153 174.600 0.026 0.000 1.006 273 S CA 0.402 58.617 58.200 0.025 0.000 0.957 273 S CB 0.074 63.286 63.200 0.020 0.000 0.773 273 S HN 0.226 nan 8.310 nan 0.000 0.507 274 L N 1.754 122.994 121.223 0.028 0.000 2.653 274 L HA 0.373 4.713 4.340 -0.000 0.000 0.231 274 L C 0.349 177.236 176.870 0.030 0.000 1.153 274 L CA 0.322 55.179 54.840 0.029 0.000 0.933 274 L CB -2.088 39.991 42.059 0.033 0.000 1.175 274 L HN 0.437 nan 8.230 nan 0.000 0.473 275 N N -0.681 118.037 118.700 0.031 0.000 2.776 275 N HA -0.175 4.565 4.740 -0.000 0.000 0.250 275 N C 0.602 176.133 175.510 0.034 0.000 1.112 275 N CA 0.416 53.485 53.050 0.031 0.000 0.733 275 N CB -0.454 38.049 38.487 0.027 0.000 1.097 275 N HN 0.455 nan 8.380 nan 0.000 0.558 276 A N 0.258 123.102 122.820 0.039 0.000 2.250 276 A HA 0.776 5.096 4.320 -0.000 0.000 0.283 276 A C 0.196 177.807 177.584 0.045 0.000 1.206 276 A CA 0.104 52.168 52.037 0.045 0.000 0.840 276 A CB 0.390 19.421 19.000 0.052 0.000 1.220 276 A HN 0.297 nan 8.150 nan 0.000 0.505 277 I N -3.336 117.264 120.570 0.049 0.000 2.692 277 I HA 0.667 4.837 4.170 -0.000 0.000 0.293 277 I C 0.190 176.339 176.117 0.054 0.000 1.200 277 I CA 0.046 61.375 61.300 0.049 0.000 1.036 277 I CB 0.998 39.025 38.000 0.043 0.000 1.258 277 I HN 1.684 nan 8.210 nan 0.000 0.421 278 G N 2.756 111.589 108.800 0.055 0.000 2.892 278 G HA2 0.236 4.196 3.960 -0.000 0.000 0.686 278 G HA3 0.236 4.196 3.960 -0.000 0.000 0.686 278 G C -1.035 173.905 174.900 0.067 0.000 1.244 278 G CA -0.371 44.764 45.100 0.059 0.000 0.947 278 G HN 1.073 nan 8.290 nan 0.000 0.584 279 V N 3.736 123.693 119.914 0.071 0.000 2.733 279 V HA 0.630 4.750 4.120 -0.000 0.000 0.306 279 V C -0.166 175.980 176.094 0.086 0.000 1.084 279 V CA -1.165 61.184 62.300 0.082 0.000 0.905 279 V CB 1.886 33.755 31.823 0.077 0.000 1.010 279 V HN 0.822 nan 8.190 nan 0.000 0.424 280 L N 5.177 126.464 121.223 0.106 0.000 2.329 280 L HA 0.664 5.004 4.340 -0.000 0.000 0.279 280 L C -0.701 176.255 176.870 0.145 0.000 1.014 280 L CA -0.464 54.444 54.840 0.114 0.000 0.814 280 L CB 1.644 43.773 42.059 0.116 0.000 1.257 280 L HN 0.494 nan 8.230 nan 0.000 0.424 281 I N 4.218 124.872 120.570 0.141 0.000 2.418 281 I HA 0.409 4.579 4.170 -0.000 0.000 0.287 281 I C -0.434 175.899 176.117 0.360 0.000 1.008 281 I CA -0.479 60.912 61.300 0.152 0.000 1.104 281 I CB 1.518 39.592 38.000 0.123 0.000 1.264 281 I HN 0.455 nan 8.210 nan 0.000 0.438 282 Y N 4.439 124.918 120.300 0.299 0.000 2.570 282 Y HA 0.805 5.355 4.550 -0.000 0.000 0.345 282 Y C -1.017 174.948 175.900 0.109 0.000 1.014 282 Y CA -1.802 56.494 58.100 0.326 0.000 1.063 282 Y CB 1.456 40.021 38.460 0.176 0.000 1.272 282 Y HN 0.341 nan 8.280 nan 0.000 0.477 283 M N 4.258 123.926 119.600 0.113 0.000 2.289 283 M HA 0.205 4.685 4.480 -0.000 0.000 0.354 283 M C -0.935 175.556 176.300 0.319 0.000 1.210 283 M CA -0.568 54.550 55.300 -0.303 0.000 1.174 283 M CB -0.032 31.978 32.600 -0.983 0.000 1.297 283 M HN 0.848 nan 8.290 nan 0.000 0.423 284 D N 0.774 121.499 120.400 0.542 0.000 2.346 284 D HA -0.113 4.527 4.640 -0.000 0.000 0.236 284 D C 0.819 177.365 176.300 0.410 0.000 1.259 284 D CA 0.024 54.378 54.000 0.590 0.000 0.898 284 D CB 0.911 42.040 40.800 0.549 0.000 1.178 284 D HN 0.611 nan 8.370 nan 0.000 0.457 285 Q N -0.738 119.235 119.800 0.288 0.000 2.083 285 Q HA -0.158 4.182 4.340 -0.000 0.000 0.198 285 Q C 1.966 178.059 176.000 0.156 0.000 0.969 285 Q CA 1.871 57.796 55.803 0.203 0.000 0.838 285 Q CB -0.229 28.596 28.738 0.144 0.000 0.900 285 Q HN 0.798 nan 8.270 nan 0.000 0.436 286 T N -0.632 114.002 114.554 0.132 0.000 2.674 286 T HA -0.128 4.221 4.350 -0.000 0.000 0.265 286 T C 1.889 176.607 174.700 0.030 0.000 1.039 286 T CA 1.014 63.157 62.100 0.071 0.000 1.150 286 T CB -0.215 68.687 68.868 0.057 0.000 0.864 286 T HN 0.018 nan 8.240 nan 0.000 0.427 287 K N 0.688 121.117 120.400 0.048 0.000 2.103 287 K HA 0.135 4.455 4.320 -0.000 0.000 0.204 287 K C -0.072 176.244 176.600 -0.473 0.000 1.052 287 K CA 0.657 56.853 56.287 -0.152 0.000 0.945 287 K CB -0.240 32.259 32.500 -0.002 0.000 0.722 287 K HN 0.516 nan 8.250 nan 0.000 0.443 288 F N 1.195 121.175 119.950 0.051 0.000 2.451 288 F HA 0.292 4.819 4.527 -0.000 0.000 0.367 288 F C -2.129 173.694 175.800 0.039 0.000 1.100 288 F CA -2.422 55.591 58.000 0.021 0.000 1.171 288 F CB 1.484 40.488 39.000 0.008 0.000 1.405 288 F HN -0.179 nan 8.300 nan 0.000 0.482 289 P HA 0.063 nan 4.420 nan 0.000 0.246 289 P C -0.268 177.102 177.300 0.117 0.000 1.675 289 P CA 0.591 63.741 63.100 0.082 0.000 0.908 289 P CB -0.344 31.364 31.700 0.013 0.000 1.890 290 I N -0.446 120.234 120.570 0.184 0.000 2.342 290 I HA 0.061 4.231 4.170 -0.000 0.000 0.291 290 I C 1.860 178.068 176.117 0.153 0.000 1.010 290 I CA -0.435 61.000 61.300 0.224 0.000 1.308 290 I CB 1.729 39.891 38.000 0.269 0.000 1.400 290 I HN -0.072 nan 8.210 nan 0.000 0.488 291 V N 5.981 125.972 119.914 0.129 0.000 2.287 291 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 291 V C 1.198 177.338 176.094 0.076 0.000 1.053 291 V CA 1.971 64.323 62.300 0.087 0.000 1.027 291 V CB -0.301 31.563 31.823 0.068 0.000 0.646 291 V HN 0.948 nan 8.190 nan 0.000 0.447 292 N N 0.104 118.847 118.700 0.071 0.000 2.470 292 N HA 0.333 5.072 4.740 -0.000 0.000 0.268 292 N C 0.170 175.731 175.510 0.084 0.000 1.136 292 N CA 0.761 53.848 53.050 0.062 0.000 0.961 292 N CB 1.332 39.843 38.487 0.040 0.000 1.067 292 N HN 0.376 nan 8.380 nan 0.000 0.468 293 A N 3.490 126.356 122.820 0.077 0.000 2.390 293 A HA 0.168 4.488 4.320 -0.000 0.000 0.232 293 A C 0.811 178.447 177.584 0.087 0.000 1.233 293 A CA -0.062 52.027 52.037 0.087 0.000 0.907 293 A CB 0.078 19.120 19.000 0.071 0.000 0.967 293 A HN 0.685 nan 8.150 nan 0.000 0.512 294 E N -0.312 119.938 120.200 0.082 0.000 2.451 294 E HA 0.127 4.477 4.350 -0.000 0.000 0.194 294 E C -0.661 176.006 176.600 0.112 0.000 1.027 294 E CA -0.140 56.311 56.400 0.086 0.000 0.914 294 E CB 0.295 30.035 29.700 0.067 0.000 1.054 294 E HN 0.442 nan 8.360 nan 0.000 0.461 295 L N 1.748 123.051 121.223 0.134 0.000 2.312 295 L HA 0.193 4.533 4.340 -0.000 0.000 0.281 295 L C -0.076 176.951 176.870 0.261 0.000 1.070 295 L CA -0.303 54.642 54.840 0.174 0.000 0.805 295 L CB 1.235 43.387 42.059 0.154 0.000 1.174 295 L HN -0.138 nan 8.230 nan 0.000 0.434 296 S N 3.875 119.758 115.700 0.306 0.000 2.532 296 S HA 0.831 5.300 4.470 -0.000 0.000 0.301 296 S C -0.581 174.304 174.600 0.474 0.000 1.083 296 S CA -0.720 57.695 58.200 0.358 0.000 1.025 296 S CB 1.408 64.750 63.200 0.237 0.000 1.056 296 S HN 0.482 nan 8.310 nan 0.000 0.494 297 F N -0.358 119.646 119.950 0.091 0.000 2.598 297 F HA 0.846 5.373 4.527 -0.000 0.000 0.327 297 F C -0.872 174.716 175.800 -0.352 0.000 1.057 297 F CA -2.403 55.590 58.000 -0.011 0.000 0.957 297 F CB 0.421 39.434 39.000 0.022 0.000 1.278 297 F HN 0.564 nan 8.300 nan 0.000 0.484 298 F N 1.210 120.725 119.950 -0.726 0.000 2.394 298 F HA 0.804 5.331 4.527 -0.000 0.000 0.340 298 F C 0.068 175.329 175.800 -0.898 0.000 1.105 298 F CA -0.932 56.329 58.000 -1.231 0.000 1.124 298 F CB 1.138 39.109 39.000 -1.715 0.000 1.145 298 F HN 0.811 nan 8.300 nan 0.000 0.505 299 G N 3.444 111.103 108.800 -1.903 0.000 2.644 299 G HA2 0.279 4.239 3.960 -0.000 0.000 0.307 299 G HA3 0.279 4.239 3.960 -0.000 0.000 0.307 299 G C -0.765 173.018 174.900 -1.863 0.000 1.250 299 G CA -0.249 43.710 45.100 -1.901 0.000 0.996 299 G HN 0.759 nan 8.290 nan 0.000 0.489 300 H N -0.472 117.843 119.070 -1.259 0.000 2.570 300 H HA 0.389 4.945 4.556 -0.000 0.000 0.268 300 H C 1.882 177.062 175.328 -0.248 0.000 1.175 300 H CA 1.775 57.426 56.048 -0.662 0.000 1.686 300 H CB 0.637 30.142 29.762 -0.428 0.000 1.456 300 H HN 1.150 nan 8.280 nan 0.000 0.592 301 A N 0.213 123.144 122.820 0.185 0.000 3.526 301 A HA -0.224 4.096 4.320 -0.000 0.000 0.254 301 A C 0.567 178.308 177.584 0.262 0.000 1.109 301 A CA 1.161 53.315 52.037 0.195 0.000 1.395 301 A CB -2.982 16.104 19.000 0.144 0.000 1.057 301 A HN 0.773 nan 8.150 nan 0.000 0.901 302 H N -0.238 118.978 119.070 0.244 0.000 2.652 302 H HA 0.470 5.026 4.556 -0.000 0.000 0.298 302 H C 0.188 175.439 175.328 -0.128 0.000 1.076 302 H CA -0.496 55.556 56.048 0.007 0.000 1.360 302 H CB 0.561 30.310 29.762 -0.022 0.000 1.421 302 H HN 0.449 nan 8.280 nan 0.000 0.464 303 L N 6.678 127.852 121.223 -0.081 0.000 2.650 303 L HA 0.240 4.580 4.340 -0.000 0.000 0.239 303 L C 0.220 176.871 176.870 -0.365 0.000 1.412 303 L CA 0.734 55.462 54.840 -0.187 0.000 1.219 303 L CB -0.842 41.192 42.059 -0.041 0.000 1.534 303 L HN 0.872 nan 8.230 nan 0.000 0.430 304 G N -1.013 107.323 108.800 -0.773 0.000 2.500 304 G HA2 0.387 4.347 3.960 -0.000 0.000 0.299 304 G HA3 0.387 4.347 3.960 -0.000 0.000 0.299 304 G C -1.195 173.454 174.900 -0.419 0.000 1.242 304 G CA -0.028 44.712 45.100 -0.600 0.000 0.859 304 G HN 0.056 nan 8.290 nan 0.000 0.481 305 T N -0.792 113.695 114.554 -0.111 0.000 2.937 305 T HA 0.697 5.047 4.350 -0.000 0.000 0.297 305 T C 0.248 174.986 174.700 0.064 0.000 0.991 305 T CA 1.449 63.598 62.100 0.081 0.000 0.990 305 T CB 0.463 69.492 68.868 0.268 0.000 0.991 305 T HN 2.601 nan 8.240 nan 0.000 0.440 306 G N 3.927 112.813 108.800 0.143 0.000 2.728 306 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.294 306 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.294 306 G C -0.512 174.406 174.900 0.031 0.000 1.342 306 G CA -0.308 44.834 45.100 0.071 0.000 0.866 306 G HN 0.944 nan 8.290 nan 0.000 0.534 307 D N 1.101 121.478 120.400 -0.038 0.000 2.581 307 D HA 0.086 4.726 4.640 -0.000 0.000 0.238 307 D C -0.573 175.518 176.300 -0.349 0.000 1.145 307 D CA -0.089 53.843 54.000 -0.113 0.000 0.866 307 D CB 0.949 41.750 40.800 0.003 0.000 1.151 307 D HN 0.203 nan 8.370 nan 0.000 0.500 308 P HA -0.027 nan 4.420 nan 0.000 0.258 308 P C -0.319 176.384 177.300 -0.995 0.000 1.403 308 P CA 0.428 62.857 63.100 -1.118 0.000 0.826 308 P CB -0.451 30.186 31.700 -1.772 0.000 1.414 309 Y N -1.705 118.537 120.300 -0.097 0.000 2.610 309 Y HA 0.175 4.725 4.550 -0.000 0.000 0.254 309 Y C 1.325 177.254 175.900 0.048 0.000 1.110 309 Y CA -0.207 57.893 58.100 0.000 0.000 1.238 309 Y CB 0.501 38.972 38.460 0.018 0.000 1.322 309 Y HN -0.037 nan 8.280 nan 0.000 0.547 310 T N 0.614 115.096 114.554 -0.120 0.000 3.532 310 T HA 0.285 4.635 4.350 -0.000 0.000 0.241 310 T C -3.073 171.157 174.700 -0.783 0.000 1.238 310 T CA -2.282 59.436 62.100 -0.637 0.000 1.405 310 T CB 0.209 68.844 68.868 -0.390 0.000 0.971 310 T HN -0.151 nan 8.240 nan 0.000 0.640 311 P HA 0.327 nan 4.420 nan 0.000 0.267 311 P C 1.129 178.308 177.300 -0.201 0.000 1.328 311 P CA 0.848 63.762 63.100 -0.309 0.000 0.990 311 P CB 0.187 31.822 31.700 -0.108 0.000 1.168 312 G N 3.753 112.409 108.800 -0.239 0.000 2.308 312 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.221 312 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.221 312 G C -0.186 174.789 174.900 0.124 0.000 1.032 312 G CA 0.054 45.185 45.100 0.052 0.000 0.623 312 G HN 0.565 nan 8.290 nan 0.000 0.506 313 F N 0.497 120.437 119.950 -0.017 0.000 2.508 313 F HA 0.867 5.394 4.527 -0.000 0.000 0.325 313 F C -2.653 173.085 175.800 -0.102 0.000 1.090 313 F CA -3.395 54.574 58.000 -0.053 0.000 0.945 313 F CB 1.139 40.107 39.000 -0.055 0.000 1.156 313 F HN -0.052 nan 8.300 nan 0.000 0.463 314 P HA 0.122 nan 4.420 nan 0.000 0.270 314 P C -0.535 176.567 177.300 -0.330 0.000 1.227 314 P CA -0.127 62.856 63.100 -0.196 0.000 0.788 314 P CB 0.791 32.410 31.700 -0.135 0.000 0.926 315 S N 0.384 115.945 115.700 -0.231 0.000 2.707 315 S HA 0.611 5.081 4.470 -0.000 0.000 0.276 315 S C -0.237 174.197 174.600 -0.278 0.000 1.179 315 S CA -0.102 58.044 58.200 -0.089 0.000 0.992 315 S CB 0.259 63.548 63.200 0.149 0.000 1.030 315 S HN 0.269 nan 8.310 nan 0.000 0.554 316 F N -0.062 120.032 119.950 0.239 0.000 3.162 316 F HA 0.484 5.011 4.527 -0.000 0.000 0.171 316 F C 1.015 176.908 175.800 0.157 0.000 1.616 316 F CA -1.124 56.986 58.000 0.183 0.000 0.939 316 F CB -0.271 38.808 39.000 0.131 0.000 1.924 316 F HN 0.505 nan 8.300 nan 0.000 0.267 317 N N -1.055 117.844 118.700 0.330 0.000 2.538 317 N HA 0.082 4.822 4.740 -0.000 0.000 0.292 317 N C 0.484 176.118 175.510 0.206 0.000 1.262 317 N CA -0.420 52.692 53.050 0.103 0.000 0.976 317 N CB 0.812 39.302 38.487 0.006 0.000 1.161 317 N HN 0.438 nan 8.380 nan 0.000 0.598 318 H N 0.037 119.140 119.070 0.054 0.000 2.451 318 H HA -0.021 4.535 4.556 -0.000 0.000 0.294 318 H C 1.679 177.019 175.328 0.020 0.000 1.028 318 H CA 1.791 57.871 56.048 0.054 0.000 1.349 318 H CB -0.223 29.558 29.762 0.031 0.000 1.444 318 H HN 0.718 nan 8.280 nan 0.000 0.538 319 T N -1.289 113.417 114.554 0.254 0.000 2.778 319 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 319 T C 1.145 175.895 174.700 0.083 0.000 1.050 319 T CA 1.093 63.284 62.100 0.151 0.000 1.137 319 T CB -0.067 68.831 68.868 0.051 0.000 0.860 319 T HN 0.382 nan 8.240 nan 0.000 0.468 320 Q N -0.544 119.296 119.800 0.067 0.000 2.312 320 Q HA 0.442 4.782 4.340 -0.000 0.000 0.263 320 Q C -1.197 174.855 176.000 0.086 0.000 0.995 320 Q CA -1.154 54.660 55.803 0.018 0.000 0.853 320 Q CB 0.635 29.344 28.738 -0.047 0.000 1.300 320 Q HN 0.306 nan 8.270 nan 0.000 0.448 321 F N 4.803 124.660 119.950 -0.156 0.000 2.457 321 F HA -0.138 4.388 4.527 -0.000 0.000 0.290 321 F C -2.259 173.489 175.800 -0.086 0.000 1.058 321 F CA 0.472 58.409 58.000 -0.105 0.000 1.051 321 F CB 0.183 39.125 39.000 -0.097 0.000 1.331 321 F HN 0.535 nan 8.300 nan 0.000 0.814 322 P HA 0.311 nan 4.420 nan 0.000 0.279 322 P C -2.251 174.735 177.300 -0.523 0.000 1.819 322 P CA -0.905 61.883 63.100 -0.521 0.000 1.258 322 P CB 0.386 31.719 31.700 -0.613 0.000 1.656 323 P HA -0.010 nan 4.420 nan 0.000 0.267 323 P C 1.442 178.470 177.300 -0.453 0.000 1.195 323 P CA 0.505 63.355 63.100 -0.418 0.000 0.773 323 P CB 0.577 32.048 31.700 -0.383 0.000 0.837 324 S N 1.169 116.700 115.700 -0.282 0.000 2.325 324 S HA -0.028 4.442 4.470 -0.000 0.000 0.213 324 S C 0.943 175.424 174.600 -0.198 0.000 1.031 324 S CA 1.025 59.081 58.200 -0.241 0.000 0.984 324 S CB -0.112 63.035 63.200 -0.090 0.000 0.939 324 S HN 0.664 nan 8.310 nan 0.000 0.438 325 R N -1.711 118.834 120.500 0.076 0.000 4.463 325 R HA 0.242 4.582 4.340 -0.000 0.000 0.244 325 R C 0.215 176.645 176.300 0.216 0.000 0.918 325 R CA 0.515 56.854 56.100 0.398 0.000 0.668 325 R CB -0.812 29.728 30.300 0.401 0.000 1.969 325 R HN 0.374 nan 8.270 nan 0.000 0.368 326 S N -0.771 115.029 115.700 0.166 0.000 3.011 326 S HA -0.146 4.324 4.470 -0.000 0.000 0.278 326 S C 0.016 174.665 174.600 0.080 0.000 1.300 326 S CA 1.435 59.696 58.200 0.101 0.000 1.248 326 S CB -1.274 61.976 63.200 0.083 0.000 1.517 326 S HN 0.588 nan 8.310 nan 0.000 0.685 327 S N 1.141 116.890 115.700 0.081 0.000 3.811 327 S HA 0.462 4.932 4.470 -0.000 0.000 0.205 327 S C 1.210 175.822 174.600 0.021 0.000 1.445 327 S CA 0.410 58.644 58.200 0.058 0.000 1.097 327 S CB 0.022 63.272 63.200 0.083 0.000 1.350 327 S HN 1.422 nan 8.310 nan 0.000 0.471 328 G N 0.681 109.510 108.800 0.049 0.000 2.135 328 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.183 328 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.183 328 G C -0.402 174.562 174.900 0.108 0.000 1.004 328 G CA -0.687 44.462 45.100 0.082 0.000 0.677 328 G HN 0.471 nan 8.290 nan 0.000 0.512 329 L N -0.518 120.741 121.223 0.061 0.000 2.334 329 L HA 0.624 4.964 4.340 -0.000 0.000 0.276 329 L C -0.359 176.568 176.870 0.094 0.000 1.014 329 L CA -1.977 52.906 54.840 0.072 0.000 0.815 329 L CB 1.295 43.377 42.059 0.038 0.000 1.268 329 L HN -0.111 nan 8.230 nan 0.000 0.428 330 P HA -0.339 nan 4.420 nan 0.000 0.217 330 P C 0.529 177.878 177.300 0.082 0.000 0.937 330 P CA 2.209 65.367 63.100 0.096 0.000 1.028 330 P CB -0.010 31.757 31.700 0.111 0.000 0.735 331 N N -4.943 113.809 118.700 0.087 0.000 2.967 331 N HA -0.126 4.614 4.740 -0.000 0.000 0.241 331 N C -1.179 174.370 175.510 0.066 0.000 0.983 331 N CA 0.617 53.712 53.050 0.074 0.000 0.918 331 N CB -1.282 37.243 38.487 0.064 0.000 1.109 331 N HN 0.040 nan 8.380 nan 0.000 0.567 332 I N 0.802 121.414 120.570 0.071 0.000 2.610 332 I HA 0.373 4.543 4.170 -0.000 0.000 0.289 332 I C -2.328 173.830 176.117 0.069 0.000 1.163 332 I CA -1.885 59.453 61.300 0.064 0.000 1.044 332 I CB 1.823 39.859 38.000 0.060 0.000 1.251 332 I HN -0.098 nan 8.210 nan 0.000 0.424 333 P HA 0.086 nan 4.420 nan 0.000 0.264 333 P C -0.677 176.662 177.300 0.065 0.000 1.193 333 P CA 0.160 63.299 63.100 0.064 0.000 0.763 333 P CB 1.086 32.819 31.700 0.055 0.000 0.810 334 V N 4.203 124.156 119.914 0.065 0.000 2.483 334 V HA 0.372 4.492 4.120 -0.000 0.000 0.297 334 V C -0.067 176.050 176.094 0.039 0.000 1.027 334 V CA -0.386 61.951 62.300 0.062 0.000 0.855 334 V CB 1.568 33.435 31.823 0.074 0.000 0.995 334 V HN 0.487 nan 8.190 nan 0.000 0.424 335 Q N 2.370 122.190 119.800 0.033 0.000 2.323 335 Q HA 0.499 4.839 4.340 -0.000 0.000 0.271 335 Q C -0.487 175.489 176.000 -0.039 0.000 1.048 335 Q CA -0.168 55.634 55.803 -0.002 0.000 0.792 335 Q CB 2.161 30.908 28.738 0.015 0.000 1.280 335 Q HN 0.789 nan 8.270 nan 0.000 0.441 336 T N 3.515 117.973 114.554 -0.160 0.000 2.884 336 T HA 0.595 4.945 4.350 -0.000 0.000 0.298 336 T C -0.606 173.968 174.700 -0.209 0.000 0.998 336 T CA -0.080 61.808 62.100 -0.352 0.000 1.124 336 T CB 0.048 68.400 68.868 -0.861 0.000 0.931 336 T HN 0.489 nan 8.240 nan 0.000 0.531 337 I N 3.201 123.724 120.570 -0.077 0.000 2.608 337 I HA 0.380 4.550 4.170 -0.000 0.000 0.295 337 I C 0.138 176.369 176.117 0.189 0.000 1.049 337 I CA -0.322 61.010 61.300 0.053 0.000 1.063 337 I CB 2.170 40.213 38.000 0.072 0.000 1.248 337 I HN 0.605 nan 8.210 nan 0.000 0.424 338 S N 4.535 120.323 115.700 0.148 0.000 2.576 338 S HA 0.223 4.693 4.470 -0.000 0.000 0.276 338 S C 1.520 176.196 174.600 0.126 0.000 1.339 338 S CA -0.096 58.219 58.200 0.191 0.000 1.039 338 S CB 0.524 63.808 63.200 0.140 0.000 0.902 338 S HN 0.676 nan 8.310 nan 0.000 0.516 339 R N 3.357 123.945 120.500 0.147 0.000 2.113 339 R HA -0.201 4.139 4.340 -0.000 0.000 0.244 339 R C 2.244 178.527 176.300 -0.029 0.000 1.142 339 R CA 2.111 58.247 56.100 0.060 0.000 0.953 339 R CB -0.958 29.412 30.300 0.116 0.000 0.860 339 R HN 0.810 nan 8.270 nan 0.000 0.438 340 A N 0.576 123.407 122.820 0.019 0.000 1.873 340 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 340 A C 2.424 179.984 177.584 -0.041 0.000 1.193 340 A CA 2.175 54.213 52.037 0.001 0.000 0.629 340 A CB -1.134 17.885 19.000 0.032 0.000 0.826 340 A HN 0.605 nan 8.150 nan 0.000 0.447 341 A N -0.422 122.379 122.820 -0.032 0.000 1.902 341 A HA 0.136 4.456 4.320 -0.000 0.000 0.217 341 A C 2.532 179.991 177.584 -0.209 0.000 1.181 341 A CA 2.296 54.297 52.037 -0.061 0.000 0.623 341 A CB -1.091 17.898 19.000 -0.018 0.000 0.818 341 A HN 1.181 nan 8.150 nan 0.000 0.443 342 A N -0.159 122.464 122.820 -0.329 0.000 1.883 342 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 342 A C 1.913 179.009 177.584 -0.814 0.000 1.186 342 A CA 1.785 53.359 52.037 -0.771 0.000 0.624 342 A CB -0.547 17.809 19.000 -1.073 0.000 0.822 342 A HN 0.511 nan 8.150 nan 0.000 0.444 343 E N 0.273 120.260 120.200 -0.355 0.000 2.068 343 E HA -0.275 4.075 4.350 -0.000 0.000 0.207 343 E C 1.944 178.480 176.600 -0.108 0.000 1.032 343 E CA 1.961 58.299 56.400 -0.105 0.000 0.839 343 E CB -0.500 29.181 29.700 -0.032 0.000 0.758 343 E HN 0.670 nan 8.360 nan 0.000 0.457 344 K N 0.381 120.711 120.400 -0.116 0.000 2.074 344 K HA -0.128 4.192 4.320 -0.000 0.000 0.209 344 K C 2.245 178.790 176.600 -0.091 0.000 1.048 344 K CA 0.868 57.116 56.287 -0.065 0.000 0.926 344 K CB -0.193 32.295 32.500 -0.021 0.000 0.713 344 K HN 0.021 nan 8.250 nan 0.000 0.444 345 L N 0.065 121.153 121.223 -0.224 0.000 1.989 345 L HA -0.186 4.154 4.340 -0.000 0.000 0.211 345 L C 2.232 179.040 176.870 -0.103 0.000 1.071 345 L CA 1.907 56.614 54.840 -0.222 0.000 0.749 345 L CB -1.116 40.703 42.059 -0.400 0.000 0.890 345 L HN 0.235 nan 8.230 nan 0.000 0.431 346 F N -0.080 119.825 119.950 -0.076 0.000 2.202 346 F HA -0.188 4.339 4.527 -0.000 0.000 0.301 346 F C 2.481 178.261 175.800 -0.033 0.000 1.082 346 F CA 0.529 58.489 58.000 -0.067 0.000 1.313 346 F CB -0.739 38.197 39.000 -0.107 0.000 1.024 346 F HN 0.216 nan 8.300 nan 0.000 0.495 347 G N -0.072 108.808 108.800 0.133 0.000 2.462 347 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.220 347 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.220 347 G C 0.822 175.760 174.900 0.064 0.000 1.121 347 G CA 0.673 45.820 45.100 0.078 0.000 0.758 347 G HN 0.415 nan 8.290 nan 0.000 0.559 348 N N 0.232 118.969 118.700 0.061 0.000 2.546 348 N HA 0.364 5.104 4.740 -0.000 0.000 0.286 348 N C -0.715 174.838 175.510 0.072 0.000 1.259 348 N CA -0.122 52.961 53.050 0.054 0.000 0.939 348 N CB 0.368 38.879 38.487 0.039 0.000 1.243 348 N HN 0.239 nan 8.380 nan 0.000 0.511 349 M N -0.153 119.502 119.600 0.092 0.000 2.326 349 M HA 0.188 4.668 4.480 -0.000 0.000 0.292 349 M C 0.782 177.128 176.300 0.078 0.000 1.081 349 M CA -0.466 54.896 55.300 0.104 0.000 0.919 349 M CB 3.048 35.747 32.600 0.165 0.000 1.634 349 M HN 0.010 nan 8.290 nan 0.000 0.451 350 E N 2.258 122.498 120.200 0.067 0.000 2.033 350 E HA 0.067 4.417 4.350 -0.000 0.000 0.189 350 E C 1.013 177.636 176.600 0.039 0.000 0.979 350 E CA 0.645 57.074 56.400 0.047 0.000 0.802 350 E CB 0.191 29.918 29.700 0.045 0.000 0.763 350 E HN 0.920 nan 8.360 nan 0.000 0.449 351 G N 0.599 109.430 108.800 0.053 0.000 2.825 351 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.241 351 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.241 351 G C -0.663 174.241 174.900 0.006 0.000 1.239 351 G CA 0.118 45.241 45.100 0.039 0.000 0.859 351 G HN 0.283 nan 8.290 nan 0.000 0.598 352 D N -1.449 118.933 120.400 -0.029 0.000 2.629 352 D HA 0.286 4.926 4.640 -0.000 0.000 0.250 352 D C -0.233 176.001 176.300 -0.111 0.000 1.126 352 D CA -0.566 53.393 54.000 -0.068 0.000 0.852 352 D CB 1.260 42.015 40.800 -0.075 0.000 1.335 352 D HN 0.396 nan 8.370 nan 0.000 0.518 353 c N 5.088 123.615 118.600 -0.121 0.000 2.590 353 c HA 0.240 4.810 4.570 -0.000 0.000 0.411 353 c C -1.763 172.168 174.090 -0.266 0.000 1.420 353 c CA -0.734 55.502 56.329 -0.155 0.000 1.643 353 c CB -0.586 41.868 42.510 -0.093 0.000 2.528 353 c HN 0.554 nan 8.230 nan 0.000 0.606 354 P HA 0.129 nan 4.420 nan 0.000 0.272 354 P C 0.344 177.408 177.300 -0.393 0.000 1.240 354 P CA 0.034 62.791 63.100 -0.571 0.000 0.791 354 P CB 0.594 31.680 31.700 -1.024 0.000 0.978 355 S N -0.401 115.133 115.700 -0.277 0.000 2.501 355 S HA -0.090 4.380 4.470 -0.000 0.000 0.220 355 S C 1.519 176.059 174.600 -0.100 0.000 0.997 355 S CA 0.456 58.571 58.200 -0.142 0.000 0.919 355 S CB -0.729 62.407 63.200 -0.108 0.000 0.778 355 S HN 0.444 nan 8.310 nan 0.000 0.523 356 D N 0.799 121.087 120.400 -0.187 0.000 2.116 356 D HA -0.137 4.503 4.640 -0.000 0.000 0.193 356 D C -0.045 176.371 176.300 0.193 0.000 0.998 356 D CA 0.696 54.664 54.000 -0.054 0.000 0.836 356 D CB -0.144 40.536 40.800 -0.199 0.000 0.951 356 D HN 0.567 nan 8.370 nan 0.000 0.449 357 W N 1.769 122.939 121.300 -0.217 0.000 2.591 357 W HA 0.056 4.716 4.660 -0.000 0.000 0.330 357 W C 0.634 177.039 176.519 -0.190 0.000 1.435 357 W CA -1.048 56.132 57.345 -0.275 0.000 1.350 357 W CB 0.157 29.446 29.460 -0.285 0.000 1.434 357 W HN -0.171 nan 8.180 nan 0.000 0.553 358 K N 3.348 123.786 120.400 0.063 0.000 2.360 358 K HA 0.054 4.374 4.320 -0.000 0.000 0.225 358 K C 0.361 176.960 176.600 -0.001 0.000 1.246 358 K CA 0.270 56.576 56.287 0.031 0.000 1.198 358 K CB -0.224 32.303 32.500 0.045 0.000 1.348 358 K HN 0.327 nan 8.250 nan 0.000 0.232 359 T N -0.826 113.741 114.554 0.022 0.000 2.572 359 T HA 0.331 4.680 4.350 -0.000 0.000 0.244 359 T C -0.915 173.802 174.700 0.029 0.000 0.860 359 T CA -0.736 61.377 62.100 0.021 0.000 1.125 359 T CB 1.103 70.001 68.868 0.049 0.000 1.491 359 T HN 0.165 nan 8.240 nan 0.000 0.532 360 D N -0.008 120.414 120.400 0.036 0.000 2.661 360 D HA 0.470 5.110 4.640 -0.000 0.000 0.228 360 D C -0.262 176.041 176.300 0.006 0.000 1.210 360 D CA -0.263 53.748 54.000 0.020 0.000 0.826 360 D CB 1.831 42.648 40.800 0.028 0.000 1.542 360 D HN 0.621 nan 8.370 nan 0.000 0.447 361 S N 0.646 116.338 115.700 -0.014 0.000 2.545 361 S HA 0.049 4.519 4.470 -0.000 0.000 0.268 361 S C 0.649 175.223 174.600 -0.043 0.000 1.369 361 S CA 1.222 59.401 58.200 -0.035 0.000 1.001 361 S CB 0.208 63.393 63.200 -0.026 0.000 0.838 361 S HN 0.773 nan 8.310 nan 0.000 0.520 362 T N -1.865 112.646 114.554 -0.072 0.000 8.460 362 T HA -0.210 4.140 4.350 -0.000 0.000 0.312 362 T C 0.618 175.181 174.700 -0.228 0.000 2.053 362 T CA 0.678 62.734 62.100 -0.073 0.000 3.457 362 T CB -2.473 66.396 68.868 0.001 0.000 1.500 362 T HN 1.718 nan 8.240 nan 0.000 0.559 363 c N 4.565 122.869 118.600 -0.495 0.000 2.520 363 c HA 0.898 5.468 4.570 -0.000 0.000 0.376 363 c C 1.072 174.811 174.090 -0.584 0.000 1.268 363 c CA -1.056 54.549 56.329 -1.207 0.000 2.414 363 c CB 0.574 42.136 42.510 -1.580 0.000 2.521 363 c HN 0.505 nan 8.230 nan 0.000 0.618 364 R N 1.472 121.665 120.500 -0.511 0.000 2.917 364 R HA 0.557 4.897 4.340 -0.000 0.000 0.220 364 R C 0.236 176.567 176.300 0.051 0.000 1.485 364 R CA -0.804 55.239 56.100 -0.096 0.000 1.037 364 R CB 0.154 30.486 30.300 0.055 0.000 1.929 364 R HN 0.706 nan 8.270 nan 0.000 0.526 365 M N -0.740 118.938 119.600 0.130 0.000 2.532 365 M HA 0.250 4.730 4.480 -0.000 0.000 0.244 365 M C -0.520 175.916 176.300 0.228 0.000 1.390 365 M CA 0.578 56.007 55.300 0.214 0.000 1.132 365 M CB 1.032 33.711 32.600 0.132 0.000 1.466 365 M HN 0.182 nan 8.290 nan 0.000 0.550 366 V N 0.025 120.041 119.914 0.171 0.000 2.971 366 V HA 0.473 4.593 4.120 -0.000 0.000 0.309 366 V C -0.189 175.984 176.094 0.133 0.000 1.130 366 V CA -1.212 61.181 62.300 0.154 0.000 0.964 366 V CB 1.787 33.684 31.823 0.124 0.000 1.029 366 V HN 0.422 nan 8.190 nan 0.000 0.427 367 T N 0.397 115.024 114.554 0.121 0.000 2.900 367 T HA 0.248 4.598 4.350 -0.000 0.000 0.307 367 T C 0.436 175.183 174.700 0.077 0.000 1.065 367 T CA -0.078 62.081 62.100 0.098 0.000 1.105 367 T CB 0.642 69.558 68.868 0.079 0.000 0.979 367 T HN 1.065 nan 8.240 nan 0.000 0.544 368 S N 1.652 117.391 115.700 0.066 0.000 2.498 368 S HA 0.067 4.537 4.470 -0.000 0.000 0.281 368 S C 1.222 175.850 174.600 0.047 0.000 1.265 368 S CA -0.688 57.544 58.200 0.053 0.000 1.071 368 S CB 0.818 64.045 63.200 0.045 0.000 0.894 368 S HN 0.834 nan 8.310 nan 0.000 0.491 369 E N 3.727 123.954 120.200 0.045 0.000 2.172 369 E HA -0.341 4.009 4.350 -0.000 0.000 0.213 369 E C 2.034 178.655 176.600 0.035 0.000 1.051 369 E CA 2.336 58.760 56.400 0.040 0.000 0.860 369 E CB -0.830 28.893 29.700 0.037 0.000 0.755 369 E HN 0.971 nan 8.360 nan 0.000 0.462 370 S N 0.246 115.965 115.700 0.032 0.000 2.421 370 S HA -0.265 4.205 4.470 -0.000 0.000 0.239 370 S C 0.699 175.316 174.600 0.028 0.000 1.054 370 S CA 1.844 60.061 58.200 0.028 0.000 1.035 370 S CB -0.396 62.820 63.200 0.027 0.000 0.840 370 S HN 0.327 nan 8.310 nan 0.000 0.475 371 K N 0.142 120.561 120.400 0.031 0.000 2.607 371 K HA 0.625 4.945 4.320 -0.000 0.000 0.287 371 K C -1.180 175.441 176.600 0.034 0.000 0.996 371 K CA -0.673 55.632 56.287 0.030 0.000 0.876 371 K CB 0.305 32.821 32.500 0.028 0.000 1.496 371 K HN 0.358 nan 8.250 nan 0.000 0.415 372 N N -1.099 117.620 118.700 0.031 0.000 3.002 372 N HA 0.730 5.470 4.740 -0.000 0.000 0.331 372 N C -1.326 174.201 175.510 0.029 0.000 1.384 372 N CA -0.969 52.101 53.050 0.034 0.000 0.780 372 N CB 1.323 39.830 38.487 0.034 0.000 1.492 372 N HN 0.458 nan 8.380 nan 0.000 0.608 373 V N -1.520 118.412 119.914 0.030 0.000 2.823 373 V HA 0.580 4.700 4.120 -0.000 0.000 0.312 373 V C -1.272 174.835 176.094 0.022 0.000 1.072 373 V CA -0.854 61.460 62.300 0.022 0.000 0.937 373 V CB 1.707 33.542 31.823 0.021 0.000 1.013 373 V HN 0.815 nan 8.190 nan 0.000 0.430 374 K N 4.630 125.038 120.400 0.014 0.000 2.376 374 K HA 0.621 4.941 4.320 -0.000 0.000 0.257 374 K C -1.702 174.905 176.600 0.012 0.000 0.939 374 K CA -0.733 55.563 56.287 0.014 0.000 0.809 374 K CB 1.706 34.211 32.500 0.009 0.000 1.121 374 K HN 0.617 nan 8.250 nan 0.000 0.425 375 L N 3.565 124.800 121.223 0.019 0.000 2.282 375 L HA 0.454 4.794 4.340 -0.000 0.000 0.288 375 L C -0.907 175.975 176.870 0.020 0.000 1.033 375 L CA 0.319 55.172 54.840 0.021 0.000 0.807 375 L CB 1.740 43.817 42.059 0.031 0.000 1.209 375 L HN 0.658 nan 8.230 nan 0.000 0.423 376 T N 5.675 120.238 114.554 0.016 0.000 2.930 376 T HA 0.587 4.937 4.350 -0.000 0.000 0.313 376 T C -1.227 173.485 174.700 0.020 0.000 1.019 376 T CA -0.415 61.694 62.100 0.016 0.000 1.004 376 T CB 0.257 69.129 68.868 0.007 0.000 0.987 376 T HN 0.600 nan 8.240 nan 0.000 0.456 377 V N 3.344 123.276 119.914 0.029 0.000 2.378 377 V HA 0.860 4.979 4.120 -0.000 0.000 0.288 377 V C -0.019 176.096 176.094 0.036 0.000 1.016 377 V CA -0.844 61.479 62.300 0.038 0.000 0.840 377 V CB 1.269 33.125 31.823 0.054 0.000 0.994 377 V HN 0.877 nan 8.190 nan 0.000 0.431 378 S N 3.902 119.617 115.700 0.025 0.000 2.516 378 S HA 0.592 5.062 4.470 -0.000 0.000 0.268 378 S C -0.520 174.085 174.600 0.009 0.000 1.251 378 S CA -0.704 57.507 58.200 0.018 0.000 1.153 378 S CB 0.111 63.315 63.200 0.006 0.000 1.009 378 S HN 0.788 nan 8.310 nan 0.000 0.479 379 N N 1.447 120.164 118.700 0.028 0.000 2.362 379 N HA 0.705 5.445 4.740 -0.000 0.000 0.299 379 N C -0.731 174.796 175.510 0.029 0.000 1.170 379 N CA -0.556 52.507 53.050 0.020 0.000 0.825 379 N CB 2.193 40.731 38.487 0.085 0.000 1.299 379 N HN 0.633 nan 8.380 nan 0.000 0.502 380 V N -1.455 118.468 119.914 0.015 0.000 2.962 380 V HA 0.596 4.716 4.120 -0.000 0.000 0.313 380 V C -0.106 176.009 176.094 0.036 0.000 1.099 380 V CA -1.039 61.275 62.300 0.025 0.000 0.971 380 V CB 1.569 33.396 31.823 0.006 0.000 1.028 380 V HN 0.421 nan 8.190 nan 0.000 0.430 381 L N 2.484 123.736 121.223 0.050 0.000 2.417 381 L HA 0.562 4.902 4.340 -0.000 0.000 0.268 381 L C 0.246 177.145 176.870 0.050 0.000 1.158 381 L CA -0.139 54.738 54.840 0.061 0.000 0.819 381 L CB 0.983 43.091 42.059 0.082 0.000 1.112 381 L HN 0.862 nan 8.230 nan 0.000 0.458 382 K N 3.043 123.472 120.400 0.047 0.000 2.716 382 K HA 0.154 4.474 4.320 -0.000 0.000 0.249 382 K C -0.805 175.832 176.600 0.061 0.000 1.004 382 K CA -0.542 55.770 56.287 0.041 0.000 0.968 382 K CB 1.301 33.811 32.500 0.016 0.000 1.214 382 K HN 0.601 nan 8.250 nan 0.000 0.476 383 E N 6.108 126.375 120.200 0.113 0.000 2.415 383 E HA 0.041 4.391 4.350 -0.000 0.000 0.260 383 E C -0.138 176.551 176.600 0.148 0.000 1.016 383 E CA -0.070 56.433 56.400 0.172 0.000 0.924 383 E CB 0.349 30.196 29.700 0.246 0.000 0.961 383 E HN 0.545 nan 8.360 nan 0.000 0.459 384 I N 0.766 121.399 120.570 0.106 0.000 3.067 384 I HA 0.517 4.687 4.170 -0.000 0.000 0.312 384 I C -0.631 175.451 176.117 -0.059 0.000 1.073 384 I CA -1.264 60.056 61.300 0.033 0.000 1.016 384 I CB 1.835 39.815 38.000 -0.034 0.000 1.227 384 I HN 0.255 nan 8.210 nan 0.000 0.456 385 K N 3.438 123.729 120.400 -0.183 0.000 2.404 385 K HA 0.542 4.862 4.320 -0.000 0.000 0.257 385 K C -0.880 175.581 176.600 -0.232 0.000 1.026 385 K CA -0.569 55.433 56.287 -0.475 0.000 0.951 385 K CB 0.793 32.941 32.500 -0.587 0.000 1.203 385 K HN 0.570 nan 8.250 nan 0.000 0.446 386 I N 3.653 124.141 120.570 -0.137 0.000 2.696 386 I HA 0.070 4.239 4.170 -0.000 0.000 0.284 386 I C -0.143 175.989 176.117 0.025 0.000 1.129 386 I CA -0.479 60.822 61.300 0.002 0.000 1.410 386 I CB 0.537 38.598 38.000 0.101 0.000 1.399 386 I HN 0.386 nan 8.210 nan 0.000 0.579 387 L N 6.582 127.834 121.223 0.048 0.000 2.442 387 L HA 0.403 4.743 4.340 -0.000 0.000 0.261 387 L C -0.721 176.173 176.870 0.040 0.000 1.000 387 L CA -0.221 54.644 54.840 0.042 0.000 0.882 387 L CB 0.484 42.541 42.059 -0.002 0.000 1.207 387 L HN 0.460 nan 8.230 nan 0.000 0.443 388 N N 5.479 124.241 118.700 0.103 0.000 2.488 388 N HA 0.394 5.134 4.740 -0.000 0.000 0.274 388 N C -0.718 174.681 175.510 -0.185 0.000 1.111 388 N CA -0.240 52.783 53.050 -0.045 0.000 0.974 388 N CB 1.868 40.431 38.487 0.127 0.000 1.089 388 N HN 0.351 nan 8.380 nan 0.000 0.465 389 I N 3.244 123.553 120.570 -0.435 0.000 2.362 389 I HA 0.357 4.527 4.170 -0.000 0.000 0.289 389 I C 0.162 175.901 176.117 -0.629 0.000 0.994 389 I CA -0.437 60.639 61.300 -0.373 0.000 1.158 389 I CB 0.200 38.037 38.000 -0.272 0.000 1.315 389 I HN 0.286 nan 8.210 nan 0.000 0.451 390 F N 2.792 122.338 119.950 -0.673 0.000 2.476 390 F HA 0.846 5.373 4.527 -0.000 0.000 0.358 390 F C 0.903 176.315 175.800 -0.647 0.000 1.091 390 F CA -0.547 56.899 58.000 -0.924 0.000 1.131 390 F CB 1.194 39.031 39.000 -1.938 0.000 1.653 390 F HN 0.479 nan 8.300 nan 0.000 0.518 391 G N 0.286 108.802 108.800 -0.473 0.000 2.026 391 G HA2 0.458 4.418 3.960 -0.000 0.000 0.208 391 G HA3 0.458 4.418 3.960 -0.000 0.000 0.208 391 G C -1.826 173.087 174.900 0.022 0.000 1.640 391 G CA -0.414 44.559 45.100 -0.212 0.000 0.946 391 G HN 0.856 nan 8.290 nan 0.000 0.709 392 V N 0.346 120.423 119.914 0.272 0.000 3.177 392 V HA 0.913 5.033 4.120 -0.000 0.000 0.319 392 V C 0.166 176.416 176.094 0.260 0.000 1.125 392 V CA -1.467 61.027 62.300 0.323 0.000 1.029 392 V CB 2.098 34.216 31.823 0.491 0.000 1.119 392 V HN 0.758 nan 8.190 nan 0.000 0.452 393 I N 1.153 121.857 120.570 0.224 0.000 2.623 393 I HA 0.361 4.531 4.170 -0.000 0.000 0.275 393 I C -0.248 175.927 176.117 0.098 0.000 1.108 393 I CA -0.769 60.634 61.300 0.171 0.000 1.120 393 I CB 1.199 39.323 38.000 0.206 0.000 1.249 393 I HN 0.664 nan 8.210 nan 0.000 0.500 394 K N 3.114 123.557 120.400 0.071 0.000 2.578 394 K HA 0.032 4.352 4.320 -0.000 0.000 0.279 394 K C 0.657 177.232 176.600 -0.042 0.000 0.983 394 K CA 0.558 56.834 56.287 -0.019 0.000 1.078 394 K CB 0.373 32.839 32.500 -0.057 0.000 0.852 394 K HN 0.647 nan 8.250 nan 0.000 0.490 395 G N 1.603 110.368 108.800 -0.059 0.000 2.563 395 G HA2 0.291 4.251 3.960 -0.000 0.000 0.283 395 G HA3 0.291 4.251 3.960 -0.000 0.000 0.283 395 G C -0.104 174.856 174.900 0.100 0.000 1.309 395 G CA -0.494 44.657 45.100 0.084 0.000 1.022 395 G HN 0.545 nan 8.290 nan 0.000 0.501 396 F N -1.755 118.152 119.950 -0.071 0.000 2.727 396 F HA 0.246 4.773 4.527 -0.000 0.000 0.302 396 F C 1.887 177.664 175.800 -0.038 0.000 1.107 396 F CA -0.009 57.962 58.000 -0.048 0.000 1.277 396 F CB 0.691 39.667 39.000 -0.040 0.000 1.079 396 F HN 0.168 nan 8.300 nan 0.000 0.594 397 V N -1.700 118.294 119.914 0.133 0.000 3.251 397 V HA 0.136 4.256 4.120 -0.000 0.000 0.239 397 V C 0.448 176.536 176.094 -0.009 0.000 1.332 397 V CA 0.246 62.580 62.300 0.057 0.000 1.224 397 V CB 0.553 32.411 31.823 0.058 0.000 1.004 397 V HN 0.006 nan 8.190 nan 0.000 0.464 398 E N 0.382 120.567 120.200 -0.024 0.000 3.582 398 E HA 0.209 4.559 4.350 -0.000 0.000 0.217 398 E C -2.071 174.452 176.600 -0.128 0.000 1.092 398 E CA -1.428 54.905 56.400 -0.112 0.000 1.365 398 E CB 1.078 30.730 29.700 -0.080 0.000 1.278 398 E HN 0.397 nan 8.360 nan 0.000 0.439 399 P HA -0.203 nan 4.420 nan 0.000 0.219 399 P C 0.340 177.474 177.300 -0.277 0.000 1.145 399 P CA 1.265 64.265 63.100 -0.167 0.000 0.813 399 P CB 0.181 31.812 31.700 -0.116 0.000 0.771 400 D N -2.768 117.517 120.400 -0.192 0.000 2.388 400 D HA 0.052 4.692 4.640 -0.000 0.000 0.221 400 D C 0.040 176.418 176.300 0.130 0.000 1.133 400 D CA 0.213 54.191 54.000 -0.036 0.000 0.831 400 D CB -0.255 40.565 40.800 0.033 0.000 0.962 400 D HN 0.377 nan 8.370 nan 0.000 0.502 401 H N -0.021 118.995 119.070 -0.090 0.000 2.638 401 H HA 0.220 4.775 4.556 -0.000 0.000 0.317 401 H C -0.573 174.802 175.328 0.078 0.000 1.006 401 H CA -0.628 55.530 56.048 0.183 0.000 1.222 401 H CB 0.818 30.723 29.762 0.239 0.000 1.419 401 H HN -0.109 nan 8.280 nan 0.000 0.489 402 Y N 1.385 121.826 120.300 0.235 0.000 2.519 402 Y HA 0.366 4.916 4.550 -0.000 0.000 0.324 402 Y C 0.193 175.819 175.900 -0.457 0.000 1.214 402 Y CA -1.049 57.050 58.100 -0.002 0.000 1.260 402 Y CB 1.190 39.686 38.460 0.060 0.000 1.311 402 Y HN 0.244 nan 8.280 nan 0.000 0.505 403 V N 2.097 121.857 119.914 -0.256 0.000 2.320 403 V HA 0.202 4.322 4.120 -0.000 0.000 0.268 403 V C -0.726 175.247 176.094 -0.202 0.000 1.021 403 V CA -0.946 61.078 62.300 -0.460 0.000 0.813 403 V CB 0.575 32.153 31.823 -0.409 0.000 1.054 403 V HN 0.528 nan 8.190 nan 0.000 0.444 404 V N 4.764 124.669 119.914 -0.014 0.000 2.458 404 V HA 0.090 4.210 4.120 -0.000 0.000 0.287 404 V C 0.349 176.396 176.094 -0.078 0.000 1.009 404 V CA 0.207 62.582 62.300 0.125 0.000 1.091 404 V CB 1.151 33.283 31.823 0.516 0.000 0.960 404 V HN 0.568 nan 8.190 nan 0.000 0.476 405 V N 5.741 125.529 119.914 -0.210 0.000 2.293 405 V HA 0.644 4.764 4.120 -0.000 0.000 0.275 405 V C 0.761 176.759 176.094 -0.161 0.000 1.021 405 V CA -0.108 62.012 62.300 -0.300 0.000 0.815 405 V CB 1.054 32.662 31.823 -0.359 0.000 1.025 405 V HN 0.940 nan 8.190 nan 0.000 0.448 406 G N 3.078 111.808 108.800 -0.117 0.000 2.521 406 G HA2 0.849 4.808 3.960 -0.000 0.000 0.323 406 G HA3 0.849 4.808 3.960 -0.000 0.000 0.323 406 G C -0.658 174.279 174.900 0.063 0.000 1.211 406 G CA -0.369 44.825 45.100 0.155 0.000 0.979 406 G HN 1.242 nan 8.290 nan 0.000 0.490 407 A N -0.094 122.773 122.820 0.077 0.000 2.508 407 A HA 0.511 4.831 4.320 -0.000 0.000 0.297 407 A C -0.414 177.234 177.584 0.106 0.000 1.036 407 A CA -0.521 51.555 52.037 0.065 0.000 0.957 407 A CB 0.731 19.711 19.000 -0.033 0.000 1.428 407 A HN 0.898 nan 8.150 nan 0.000 0.393 408 Q N 1.997 121.921 119.800 0.205 0.000 2.304 408 Q HA 0.160 4.500 4.340 -0.000 0.000 0.301 408 Q C 0.733 176.788 176.000 0.091 0.000 1.063 408 Q CA 0.750 56.673 55.803 0.200 0.000 0.947 408 Q CB 0.487 29.333 28.738 0.181 0.000 1.201 408 Q HN 0.760 nan 8.270 nan 0.000 0.389 409 R N 2.854 123.400 120.500 0.077 0.000 2.344 409 R HA 0.053 4.392 4.340 -0.000 0.000 0.209 409 R C -0.241 176.088 176.300 0.048 0.000 0.886 409 R CA 0.445 56.556 56.100 0.018 0.000 1.040 409 R CB 0.466 30.737 30.300 -0.048 0.000 1.114 409 R HN 0.884 nan 8.270 nan 0.000 0.547 410 D N 0.044 120.504 120.400 0.101 0.000 2.432 410 D HA 0.499 5.139 4.640 -0.000 0.000 0.258 410 D C -0.791 175.591 176.300 0.137 0.000 1.146 410 D CA -0.456 53.615 54.000 0.119 0.000 1.015 410 D CB 1.878 42.777 40.800 0.165 0.000 1.107 410 D HN 0.127 nan 8.370 nan 0.000 0.529 411 A N -0.898 122.006 122.820 0.140 0.000 2.590 411 A HA 0.274 4.594 4.320 -0.000 0.000 0.294 411 A C -0.745 176.929 177.584 0.150 0.000 1.046 411 A CA -0.817 51.315 52.037 0.158 0.000 0.684 411 A CB 0.231 19.315 19.000 0.139 0.000 1.279 411 A HN 0.702 nan 8.150 nan 0.000 0.415 412 W N 2.021 123.277 121.300 -0.073 0.000 2.418 412 W HA 0.310 4.970 4.660 -0.000 0.000 0.319 412 W C 1.470 177.956 176.519 -0.054 0.000 1.183 412 W CA 2.814 60.036 57.345 -0.206 0.000 1.327 412 W CB -0.504 28.729 29.460 -0.379 0.000 1.163 412 W HN 0.989 nan 8.180 nan 0.000 0.479 413 G N 0.004 108.902 108.800 0.165 0.000 2.624 413 G HA2 0.081 4.041 3.960 -0.000 0.000 0.217 413 G HA3 0.081 4.041 3.960 -0.000 0.000 0.217 413 G C -1.778 173.135 174.900 0.021 0.000 1.506 413 G CA 0.269 45.357 45.100 -0.019 0.000 1.072 413 G HN 0.092 nan 8.290 nan 0.000 0.568 414 P HA 0.055 nan 4.420 nan 0.000 0.236 414 P C 1.141 178.505 177.300 0.107 0.000 1.177 414 P CA 1.040 64.182 63.100 0.070 0.000 0.773 414 P CB 0.041 31.788 31.700 0.078 0.000 0.878 415 G N 1.283 110.168 108.800 0.142 0.000 2.385 415 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.284 415 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.284 415 G C 1.140 176.108 174.900 0.114 0.000 0.899 415 G CA 0.379 45.567 45.100 0.146 0.000 1.204 415 G HN 0.493 nan 8.290 nan 0.000 0.486 416 A N -0.203 122.695 122.820 0.131 0.000 1.972 416 A HA 0.280 4.600 4.320 -0.000 0.000 0.219 416 A C 2.678 180.300 177.584 0.064 0.000 1.169 416 A CA 2.209 54.323 52.037 0.128 0.000 0.635 416 A CB -0.373 18.743 19.000 0.194 0.000 0.810 416 A HN 1.719 nan 8.150 nan 0.000 0.446 417 A N -0.136 122.684 122.820 -0.000 0.000 1.862 417 A HA 0.080 4.400 4.320 -0.000 0.000 0.211 417 A C 2.012 179.562 177.584 -0.058 0.000 1.220 417 A CA 1.644 53.604 52.037 -0.129 0.000 0.616 417 A CB -0.486 18.237 19.000 -0.462 0.000 0.878 417 A HN 0.433 nan 8.150 nan 0.000 0.453 418 K N -0.343 120.055 120.400 -0.004 0.000 2.127 418 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 418 K C 1.806 178.439 176.600 0.055 0.000 1.047 418 K CA 2.239 58.555 56.287 0.048 0.000 0.927 418 K CB -0.159 32.410 32.500 0.116 0.000 0.716 418 K HN 0.410 nan 8.250 nan 0.000 0.450 419 S N -2.482 113.251 115.700 0.056 0.000 2.691 419 S HA 0.236 4.706 4.470 -0.000 0.000 0.258 419 S C 1.498 176.115 174.600 0.028 0.000 1.078 419 S CA 0.132 58.362 58.200 0.050 0.000 1.000 419 S CB -0.010 63.231 63.200 0.068 0.000 0.942 419 S HN 0.478 nan 8.310 nan 0.000 0.521 420 G N 2.188 111.011 108.800 0.039 0.000 2.575 420 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.215 420 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.215 420 G C 1.397 176.310 174.900 0.022 0.000 1.262 420 G CA 1.440 46.564 45.100 0.039 0.000 0.807 420 G HN 0.402 nan 8.290 nan 0.000 0.567 421 V N 2.007 121.938 119.914 0.029 0.000 2.277 421 V HA -0.223 3.897 4.120 -0.000 0.000 0.253 421 V C 3.089 179.166 176.094 -0.028 0.000 1.067 421 V CA 2.315 64.621 62.300 0.010 0.000 1.047 421 V CB -1.471 30.360 31.823 0.014 0.000 0.649 421 V HN 0.511 nan 8.190 nan 0.000 0.447 422 G N -0.393 108.393 108.800 -0.023 0.000 2.604 422 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.216 422 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.216 422 G C 1.637 176.507 174.900 -0.051 0.000 1.265 422 G CA 1.589 46.667 45.100 -0.037 0.000 0.804 422 G HN 0.446 nan 8.290 nan 0.000 0.579 423 T N 1.748 116.274 114.554 -0.046 0.000 2.778 423 T HA -0.074 4.276 4.350 -0.000 0.000 0.269 423 T C 2.697 177.352 174.700 -0.074 0.000 1.050 423 T CA 1.659 63.716 62.100 -0.071 0.000 1.137 423 T CB -0.397 68.420 68.868 -0.084 0.000 0.860 423 T HN 0.433 nan 8.240 nan 0.000 0.468 424 A N 1.158 123.940 122.820 -0.062 0.000 1.877 424 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 424 A C 2.295 179.785 177.584 -0.156 0.000 1.186 424 A CA 1.272 53.269 52.037 -0.067 0.000 0.620 424 A CB -0.779 18.199 19.000 -0.036 0.000 0.822 424 A HN 0.487 nan 8.150 nan 0.000 0.443 425 L N -0.860 120.239 121.223 -0.207 0.000 2.027 425 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 425 L C 2.607 179.396 176.870 -0.135 0.000 1.074 425 L CA 1.078 55.743 54.840 -0.291 0.000 0.745 425 L CB -0.566 41.372 42.059 -0.202 0.000 0.898 425 L HN 0.447 nan 8.230 nan 0.000 0.433 426 L N -0.115 121.073 121.223 -0.059 0.000 1.997 426 L HA -0.312 4.027 4.340 -0.000 0.000 0.216 426 L C 2.582 179.457 176.870 0.009 0.000 1.074 426 L CA 1.741 56.596 54.840 0.025 0.000 0.763 426 L CB -0.169 41.902 42.059 0.020 0.000 0.890 426 L HN 0.243 nan 8.230 nan 0.000 0.434 427 L N -0.584 120.632 121.223 -0.012 0.000 1.961 427 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 427 L C 2.742 179.530 176.870 -0.136 0.000 1.072 427 L CA 1.271 56.129 54.840 0.030 0.000 0.749 427 L CB -0.685 41.393 42.059 0.031 0.000 0.889 427 L HN 0.153 nan 8.230 nan 0.000 0.432 428 K N -0.142 120.206 120.400 -0.086 0.000 2.160 428 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 428 K C 2.006 178.547 176.600 -0.097 0.000 1.047 428 K CA 1.258 57.511 56.287 -0.058 0.000 0.930 428 K CB -0.637 31.904 32.500 0.069 0.000 0.720 428 K HN 0.123 nan 8.250 nan 0.000 0.450 429 L N 0.564 121.741 121.223 -0.076 0.000 2.156 429 L HA 0.021 4.361 4.340 -0.000 0.000 0.208 429 L C 2.063 178.977 176.870 0.073 0.000 1.095 429 L CA 1.495 56.397 54.840 0.102 0.000 0.770 429 L CB -0.754 41.428 42.059 0.204 0.000 0.914 429 L HN 0.108 nan 8.230 nan 0.000 0.439 430 A N -1.354 121.195 122.820 -0.452 0.000 1.930 430 A HA -0.215 4.105 4.320 -0.000 0.000 0.215 430 A C 2.251 179.377 177.584 -0.764 0.000 1.176 430 A CA 1.310 52.632 52.037 -1.190 0.000 0.632 430 A CB -0.526 17.502 19.000 -1.621 0.000 0.819 430 A HN 0.564 nan 8.150 nan 0.000 0.445 431 Q N -0.671 118.546 119.800 -0.970 0.000 2.096 431 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 431 Q C 2.037 177.810 176.000 -0.378 0.000 0.982 431 Q CA 1.949 57.117 55.803 -1.058 0.000 0.850 431 Q CB -0.213 27.948 28.738 -0.961 0.000 0.901 431 Q HN 0.709 nan 8.270 nan 0.000 0.422 432 M N -0.699 118.764 119.600 -0.228 0.000 2.064 432 M HA -0.116 4.364 4.480 -0.000 0.000 0.260 432 M C 1.931 178.155 176.300 -0.128 0.000 1.073 432 M CA 1.462 56.658 55.300 -0.174 0.000 1.124 432 M CB -0.418 32.038 32.600 -0.241 0.000 1.326 432 M HN 0.195 nan 8.290 nan 0.000 0.410 433 F N 1.141 121.138 119.950 0.079 0.000 2.120 433 F HA -0.266 4.261 4.527 -0.000 0.000 0.300 433 F C 3.013 178.925 175.800 0.187 0.000 1.095 433 F CA 1.903 60.045 58.000 0.236 0.000 1.249 433 F CB -1.076 38.151 39.000 0.378 0.000 0.995 433 F HN 0.271 nan 8.300 nan 0.000 0.480 434 S N -0.425 115.418 115.700 0.239 0.000 2.359 434 S HA -0.289 4.181 4.470 -0.000 0.000 0.224 434 S C 1.766 176.448 174.600 0.136 0.000 1.035 434 S CA 1.610 59.908 58.200 0.164 0.000 1.018 434 S CB -0.974 62.276 63.200 0.083 0.000 0.876 434 S HN 0.412 nan 8.310 nan 0.000 0.448 435 D N 1.292 121.737 120.400 0.076 0.000 2.092 435 D HA -0.088 4.552 4.640 -0.000 0.000 0.193 435 D C 2.096 178.445 176.300 0.081 0.000 0.994 435 D CA 1.655 55.691 54.000 0.060 0.000 0.828 435 D CB -0.287 40.519 40.800 0.009 0.000 0.963 435 D HN 0.376 nan 8.370 nan 0.000 0.450 436 M N -0.410 119.243 119.600 0.087 0.000 2.144 436 M HA -0.174 4.306 4.480 -0.000 0.000 0.260 436 M C 2.156 178.596 176.300 0.232 0.000 1.067 436 M CA 0.882 56.262 55.300 0.134 0.000 1.095 436 M CB -0.170 32.517 32.600 0.145 0.000 1.365 436 M HN 0.050 nan 8.290 nan 0.000 0.406 437 V N 0.192 120.257 119.914 0.252 0.000 2.358 437 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 437 V C 2.332 178.525 176.094 0.165 0.000 1.047 437 V CA 1.212 63.629 62.300 0.194 0.000 1.035 437 V CB -0.527 31.405 31.823 0.181 0.000 0.658 437 V HN 0.370 nan 8.190 nan 0.000 0.452 438 L N -0.280 121.027 121.223 0.141 0.000 2.034 438 L HA -0.018 4.322 4.340 -0.000 0.000 0.203 438 L C 2.347 179.272 176.870 0.091 0.000 1.074 438 L CA 1.919 56.828 54.840 0.115 0.000 0.748 438 L CB -1.253 40.866 42.059 0.100 0.000 0.905 438 L HN 0.328 nan 8.230 nan 0.000 0.439 439 K N -0.374 120.073 120.400 0.078 0.000 2.067 439 K HA -0.045 4.275 4.320 -0.000 0.000 0.203 439 K C 1.420 178.049 176.600 0.048 0.000 1.048 439 K CA 0.907 57.227 56.287 0.055 0.000 0.954 439 K CB 0.047 32.571 32.500 0.040 0.000 0.737 439 K HN 0.243 nan 8.250 nan 0.000 0.444 440 D N -0.303 120.129 120.400 0.053 0.000 2.355 440 D HA 0.013 4.652 4.640 -0.000 0.000 0.218 440 D C 0.967 177.300 176.300 0.056 0.000 1.004 440 D CA 0.876 54.898 54.000 0.038 0.000 0.880 440 D CB 0.678 41.483 40.800 0.010 0.000 0.911 440 D HN 0.460 nan 8.370 nan 0.000 0.528 441 G N 1.484 110.334 108.800 0.083 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 0.120 175.075 174.900 0.091 0.000 0.981 441 G CA -0.225 44.916 45.100 0.068 0.000 0.665 441 G HN 0.318 nan 8.290 nan 0.000 0.528 442 F N 2.155 122.074 119.950 -0.051 0.000 2.541 442 F HA 0.500 5.027 4.527 -0.000 0.000 0.378 442 F C 0.720 176.417 175.800 -0.171 0.000 1.068 442 F CA -0.587 57.373 58.000 -0.066 0.000 1.199 442 F CB 0.484 39.490 39.000 0.010 0.000 1.091 442 F HN 0.249 nan 8.300 nan 0.000 0.555 443 Q N 7.799 127.414 119.800 -0.310 0.000 2.842 443 Q HA 0.271 4.611 4.340 -0.000 0.000 0.323 443 Q C -2.345 173.189 176.000 -0.776 0.000 1.111 443 Q CA -1.995 53.194 55.803 -1.022 0.000 1.047 443 Q CB 0.458 28.561 28.738 -1.058 0.000 1.280 443 Q HN 0.460 nan 8.270 nan 0.000 0.475 444 P HA -0.086 nan 4.420 nan 0.000 0.255 444 P C 0.247 177.512 177.300 -0.057 0.000 1.161 444 P CA 0.701 63.574 63.100 -0.378 0.000 0.768 444 P CB 0.831 32.273 31.700 -0.429 0.000 0.746 445 S N 2.740 118.458 115.700 0.030 0.000 2.447 445 S HA -0.059 4.411 4.470 -0.000 0.000 0.233 445 S C 0.759 175.413 174.600 0.089 0.000 1.006 445 S CA 1.053 59.296 58.200 0.072 0.000 0.957 445 S CB -0.136 63.095 63.200 0.052 0.000 0.773 445 S HN 0.430 nan 8.310 nan 0.000 0.507 446 R N 1.152 121.713 120.500 0.100 0.000 2.686 446 R HA 0.358 4.698 4.340 -0.000 0.000 0.283 446 R C -0.481 175.837 176.300 0.030 0.000 0.978 446 R CA -0.382 55.781 56.100 0.105 0.000 0.897 446 R CB 1.808 32.281 30.300 0.288 0.000 1.192 446 R HN 0.210 nan 8.270 nan 0.000 0.457 447 S N 2.447 118.067 115.700 -0.133 0.000 2.573 447 S HA 0.290 4.760 4.470 -0.000 0.000 0.277 447 S C 0.459 174.987 174.600 -0.120 0.000 1.346 447 S CA -0.353 57.732 58.200 -0.191 0.000 1.034 447 S CB 0.496 63.424 63.200 -0.454 0.000 0.879 447 S HN 0.411 nan 8.310 nan 0.000 0.528 448 I N 1.754 122.286 120.570 -0.064 0.000 2.493 448 I HA 0.519 4.689 4.170 -0.000 0.000 0.298 448 I C -0.329 175.722 176.117 -0.110 0.000 0.998 448 I CA -0.742 60.442 61.300 -0.193 0.000 1.137 448 I CB 1.678 39.452 38.000 -0.375 0.000 1.310 448 I HN 0.670 nan 8.210 nan 0.000 0.445 449 I N 5.901 126.354 120.570 -0.195 0.000 2.517 449 I HA 0.391 4.561 4.170 -0.000 0.000 0.280 449 I C -1.259 174.703 176.117 -0.259 0.000 1.061 449 I CA -0.367 60.914 61.300 -0.032 0.000 1.091 449 I CB 0.607 38.767 38.000 0.266 0.000 1.205 449 I HN 0.313 nan 8.210 nan 0.000 0.459 450 F N 6.356 126.180 119.950 -0.210 0.000 2.389 450 F HA 0.686 5.213 4.527 -0.000 0.000 0.337 450 F C 0.752 176.274 175.800 -0.463 0.000 1.112 450 F CA -0.372 57.439 58.000 -0.315 0.000 1.192 450 F CB 1.254 40.009 39.000 -0.410 0.000 1.185 450 F HN 0.484 nan 8.300 nan 0.000 0.552 451 A N 1.399 123.957 122.820 -0.437 0.000 2.437 451 A HA 0.545 4.865 4.320 -0.000 0.000 0.293 451 A C -0.885 175.997 177.584 -1.170 0.000 1.038 451 A CA -0.615 50.729 52.037 -1.156 0.000 0.708 451 A CB 1.380 19.216 19.000 -1.941 0.000 1.251 451 A HN 0.569 nan 8.150 nan 0.000 0.409 452 S N 2.724 117.838 115.700 -0.976 0.000 2.488 452 S HA 0.506 4.976 4.470 -0.000 0.000 0.310 452 S C -0.337 173.871 174.600 -0.653 0.000 1.093 452 S CA -0.460 57.345 58.200 -0.659 0.000 1.129 452 S CB -0.377 62.599 63.200 -0.374 0.000 0.989 452 S HN 0.506 nan 8.310 nan 0.000 0.479 453 W N 2.701 123.909 121.300 -0.154 0.000 1.992 453 W HA 0.538 5.198 4.660 -0.000 0.000 0.360 453 W C 1.090 177.595 176.519 -0.024 0.000 1.369 453 W CA -0.412 56.880 57.345 -0.088 0.000 1.403 453 W CB 0.191 29.645 29.460 -0.009 0.000 1.215 453 W HN 0.502 nan 8.180 nan 0.000 0.643 454 S N -0.749 115.122 115.700 0.285 0.000 2.685 454 S HA 0.524 4.993 4.470 -0.000 0.000 0.282 454 S C -0.007 174.726 174.600 0.223 0.000 1.159 454 S CA -0.118 58.197 58.200 0.192 0.000 0.833 454 S CB 1.013 64.284 63.200 0.119 0.000 1.151 454 S HN 1.568 nan 8.310 nan 0.000 0.485 455 A N -0.088 122.861 122.820 0.215 0.000 2.798 455 A HA -0.162 4.158 4.320 -0.000 0.000 0.282 455 A C 1.405 179.213 177.584 0.374 0.000 1.464 455 A CA 1.833 54.032 52.037 0.269 0.000 0.844 455 A CB -2.292 16.786 19.000 0.130 0.000 1.006 455 A HN 1.622 nan 8.150 nan 0.000 0.577 456 G N -1.036 107.959 108.800 0.324 0.000 2.448 456 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.218 456 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.218 456 G C 0.958 176.031 174.900 0.287 0.000 1.135 456 G CA 1.104 46.374 45.100 0.285 0.000 0.784 456 G HN 0.611 nan 8.290 nan 0.000 0.543 457 D N -0.036 120.545 120.400 0.301 0.000 2.378 457 D HA -0.016 4.624 4.640 -0.000 0.000 0.222 457 D C 0.631 176.826 176.300 -0.174 0.000 0.980 457 D CA 0.476 54.548 54.000 0.120 0.000 0.907 457 D CB -0.013 40.867 40.800 0.135 0.000 0.899 457 D HN 0.379 nan 8.370 nan 0.000 0.527 458 F N -0.661 119.339 119.950 0.083 0.000 2.708 458 F HA 0.342 4.869 4.527 -0.000 0.000 0.300 458 F C 1.429 177.321 175.800 0.154 0.000 1.118 458 F CA -0.276 57.658 58.000 -0.111 0.000 1.307 458 F CB 0.835 39.934 39.000 0.165 0.000 0.986 458 F HN -0.126 nan 8.300 nan 0.000 0.522 459 G N -0.473 108.655 108.800 0.547 0.000 2.237 459 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.153 459 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.153 459 G C 0.638 175.697 174.900 0.265 0.000 1.039 459 G CA -0.223 45.198 45.100 0.534 0.000 0.719 459 G HN 0.179 nan 8.290 nan 0.000 0.491 460 S N -2.603 113.232 115.700 0.225 0.000 3.476 460 S HA -0.336 4.134 4.470 -0.000 0.000 0.309 460 S C 2.139 176.792 174.600 0.088 0.000 1.222 460 S CA 1.348 59.622 58.200 0.124 0.000 0.922 460 S CB -1.759 61.474 63.200 0.055 0.000 1.023 460 S HN 1.547 nan 8.310 nan 0.000 0.591 461 V N 0.567 120.575 119.914 0.157 0.000 2.418 461 V HA -0.346 3.774 4.120 -0.000 0.000 0.258 461 V C 2.640 178.759 176.094 0.041 0.000 1.088 461 V CA 2.603 64.962 62.300 0.097 0.000 1.091 461 V CB -1.517 30.394 31.823 0.147 0.000 0.669 461 V HN 0.768 nan 8.190 nan 0.000 0.461 462 G N -0.735 108.133 108.800 0.113 0.000 2.424 462 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.214 462 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.214 462 G C 1.759 176.750 174.900 0.152 0.000 1.202 462 G CA 0.940 46.146 45.100 0.178 0.000 0.793 462 G HN 0.638 nan 8.290 nan 0.000 0.534 463 A N 0.275 123.047 122.820 -0.080 0.000 1.902 463 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 463 A C 2.536 179.914 177.584 -0.342 0.000 1.181 463 A CA 2.516 54.100 52.037 -0.756 0.000 0.623 463 A CB -1.000 17.034 19.000 -1.612 0.000 0.818 463 A HN 0.324 nan 8.150 nan 0.000 0.443 464 T N 0.367 114.792 114.554 -0.215 0.000 2.622 464 T HA -0.137 4.212 4.350 -0.000 0.000 0.266 464 T C 1.657 176.257 174.700 -0.166 0.000 1.047 464 T CA 1.450 63.432 62.100 -0.196 0.000 1.159 464 T CB -0.335 68.437 68.868 -0.160 0.000 0.863 464 T HN 0.495 nan 8.240 nan 0.000 0.422 465 E N -0.077 120.027 120.200 -0.160 0.000 2.333 465 E HA -0.118 4.232 4.350 -0.000 0.000 0.198 465 E C 1.683 178.254 176.600 -0.048 0.000 1.007 465 E CA 0.531 56.803 56.400 -0.213 0.000 0.845 465 E CB -0.207 29.245 29.700 -0.414 0.000 0.766 465 E HN 0.683 nan 8.360 nan 0.000 0.507 466 W N 1.448 122.705 121.300 -0.072 0.000 2.408 466 W HA -0.083 4.577 4.660 -0.000 0.000 0.311 466 W C 1.922 178.530 176.519 0.148 0.000 1.190 466 W CA 1.014 58.488 57.345 0.216 0.000 1.321 466 W CB -0.553 29.154 29.460 0.413 0.000 1.143 466 W HN -0.065 nan 8.180 nan 0.000 0.501 467 L N 0.634 121.887 121.223 0.051 0.000 2.013 467 L HA -0.269 4.071 4.340 -0.000 0.000 0.212 467 L C 2.398 179.287 176.870 0.032 0.000 1.073 467 L CA 2.055 56.801 54.840 -0.156 0.000 0.753 467 L CB -1.297 40.652 42.059 -0.184 0.000 0.890 467 L HN 0.041 nan 8.230 nan 0.000 0.432 468 E N 0.117 120.344 120.200 0.046 0.000 2.253 468 E HA -0.249 4.101 4.350 -0.000 0.000 0.202 468 E C 2.137 178.749 176.600 0.021 0.000 1.014 468 E CA 1.039 57.478 56.400 0.065 0.000 0.823 468 E CB -0.290 29.343 29.700 -0.112 0.000 0.736 468 E HN 0.632 nan 8.360 nan 0.000 0.478 469 G N -0.404 108.373 108.800 -0.039 0.000 2.422 469 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 469 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 469 G C 0.444 175.131 174.900 -0.356 0.000 1.140 469 G CA 0.393 45.391 45.100 -0.169 0.000 0.775 469 G HN 0.207 nan 8.290 nan 0.000 0.545 470 Y N -0.005 120.113 120.300 -0.303 0.000 2.631 470 Y HA 0.378 4.928 4.550 -0.000 0.000 0.361 470 Y C 1.330 177.076 175.900 -0.257 0.000 0.941 470 Y CA -1.220 56.694 58.100 -0.310 0.000 1.327 470 Y CB 0.598 38.795 38.460 -0.437 0.000 1.299 470 Y HN 0.020 nan 8.280 nan 0.000 0.578 471 L N 0.918 122.092 121.223 -0.081 0.000 2.270 471 L HA -0.231 4.109 4.340 -0.000 0.000 0.217 471 L C 1.429 178.225 176.870 -0.124 0.000 1.107 471 L CA 2.311 57.087 54.840 -0.107 0.000 0.772 471 L CB -0.187 41.848 42.059 -0.040 0.000 0.902 471 L HN 0.392 nan 8.230 nan 0.000 0.439 472 S N -4.088 111.539 115.700 -0.122 0.000 3.073 472 S HA 0.277 4.747 4.470 -0.000 0.000 0.252 472 S C 0.688 175.125 174.600 -0.271 0.000 0.953 472 S CA 0.034 58.154 58.200 -0.132 0.000 1.105 472 S CB -0.236 62.926 63.200 -0.064 0.000 1.070 472 S HN 0.417 nan 8.310 nan 0.000 0.574 473 S N -0.055 115.448 115.700 -0.329 0.000 2.617 473 S HA 0.190 4.660 4.470 -0.000 0.000 0.278 473 S C 1.138 175.452 174.600 -0.476 0.000 1.082 473 S CA 0.208 58.144 58.200 -0.440 0.000 1.228 473 S CB -0.485 62.603 63.200 -0.186 0.000 1.130 473 S HN 0.264 nan 8.310 nan 0.000 0.621 474 L N 4.604 125.623 121.223 -0.340 0.000 2.043 474 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 474 L C 2.605 179.319 176.870 -0.261 0.000 1.075 474 L CA 2.667 57.300 54.840 -0.345 0.000 0.752 474 L CB -1.113 40.741 42.059 -0.342 0.000 0.891 474 L HN 0.696 nan 8.230 nan 0.000 0.432 475 H N -1.495 117.452 119.070 -0.206 0.000 2.489 475 H HA -0.126 4.430 4.556 -0.000 0.000 0.293 475 H C 1.971 177.240 175.328 -0.099 0.000 1.066 475 H CA 1.416 57.383 56.048 -0.135 0.000 1.305 475 H CB -0.554 29.062 29.762 -0.242 0.000 1.386 475 H HN 0.457 nan 8.280 nan 0.000 0.551 476 L N 0.139 121.037 121.223 -0.541 0.000 2.478 476 L HA -0.016 4.323 4.340 -0.000 0.000 0.223 476 L C 2.019 178.886 176.870 -0.004 0.000 1.140 476 L CA 0.774 55.472 54.840 -0.236 0.000 0.842 476 L CB 0.125 41.992 42.059 -0.319 0.000 0.953 476 L HN 0.202 nan 8.230 nan 0.000 0.452 477 K N -0.561 119.832 120.400 -0.012 0.000 2.309 477 K HA 0.303 4.623 4.320 -0.000 0.000 0.210 477 K C 0.634 177.388 176.600 0.257 0.000 1.114 477 K CA 0.297 56.678 56.287 0.157 0.000 0.912 477 K CB 0.249 32.740 32.500 -0.015 0.000 1.198 477 K HN 0.042 nan 8.250 nan 0.000 0.471 478 A N 1.693 124.603 122.820 0.150 0.000 2.276 478 A HA 0.353 4.673 4.320 -0.000 0.000 0.300 478 A C 0.191 177.886 177.584 0.186 0.000 1.235 478 A CA -0.398 51.749 52.037 0.184 0.000 0.867 478 A CB -0.283 18.872 19.000 0.259 0.000 1.137 478 A HN 0.440 nan 8.150 nan 0.000 0.527 479 F N 0.579 120.615 119.950 0.143 0.000 2.695 479 F HA 0.464 4.991 4.527 -0.000 0.000 0.303 479 F C 0.127 176.007 175.800 0.133 0.000 1.091 479 F CA -0.254 57.801 58.000 0.092 0.000 1.300 479 F CB -0.030 38.967 39.000 -0.004 0.000 1.071 479 F HN 0.288 nan 8.300 nan 0.000 0.578 480 T N -0.008 114.522 114.554 -0.040 0.000 3.225 480 T HA 0.210 4.560 4.350 -0.000 0.000 0.356 480 T C -2.483 172.229 174.700 0.020 0.000 1.460 480 T CA -0.491 61.637 62.100 0.046 0.000 1.126 480 T CB 1.396 70.295 68.868 0.051 0.000 1.321 480 T HN 0.135 nan 8.240 nan 0.000 0.478 481 Y N 4.117 124.370 120.300 -0.079 0.000 2.326 481 Y HA 0.728 5.278 4.550 -0.000 0.000 0.331 481 Y C -0.852 174.933 175.900 -0.192 0.000 0.962 481 Y CA -1.163 56.793 58.100 -0.240 0.000 1.167 481 Y CB 0.438 38.558 38.460 -0.567 0.000 1.148 481 Y HN 0.616 nan 8.280 nan 0.000 0.463 482 I N 5.420 125.560 120.570 -0.716 0.000 2.797 482 I HA 0.323 4.493 4.170 -0.000 0.000 0.310 482 I C -0.352 175.184 176.117 -0.970 0.000 0.990 482 I CA -0.913 60.063 61.300 -0.541 0.000 1.228 482 I CB 1.454 39.333 38.000 -0.202 0.000 1.406 482 I HN 0.630 nan 8.210 nan 0.000 0.534 483 N N 3.756 122.083 118.700 -0.622 0.000 2.478 483 N HA 0.291 5.031 4.740 -0.000 0.000 0.291 483 N C -0.500 174.748 175.510 -0.436 0.000 1.090 483 N CA -0.399 52.346 53.050 -0.509 0.000 0.911 483 N CB 1.926 40.209 38.487 -0.339 0.000 1.546 483 N HN 0.536 nan 8.380 nan 0.000 0.500 484 L N 0.801 121.851 121.223 -0.289 0.000 2.607 484 L HA 0.234 4.574 4.340 -0.000 0.000 0.228 484 L C 0.144 176.910 176.870 -0.174 0.000 1.123 484 L CA -0.173 54.506 54.840 -0.267 0.000 0.890 484 L CB -0.150 41.829 42.059 -0.134 0.000 1.103 484 L HN 0.369 nan 8.230 nan 0.000 0.468 485 D N 2.151 122.480 120.400 -0.118 0.000 2.506 485 D HA -0.054 4.586 4.640 -0.000 0.000 0.234 485 D C 0.558 176.813 176.300 -0.076 0.000 1.143 485 D CA 0.428 54.396 54.000 -0.052 0.000 0.871 485 D CB 0.471 41.270 40.800 -0.001 0.000 1.190 485 D HN 0.039 nan 8.370 nan 0.000 0.459 486 K N 0.525 120.901 120.400 -0.040 0.000 3.213 486 K HA -0.277 4.043 4.320 -0.000 0.000 0.266 486 K C 0.864 177.451 176.600 -0.022 0.000 0.911 486 K CA 0.347 56.610 56.287 -0.040 0.000 0.684 486 K CB -1.032 31.445 32.500 -0.037 0.000 1.402 486 K HN 0.510 nan 8.250 nan 0.000 0.465 487 A N 0.051 122.871 122.820 0.001 0.000 1.930 487 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 487 A C 0.911 178.646 177.584 0.251 0.000 1.175 487 A CA 1.093 53.199 52.037 0.115 0.000 0.627 487 A CB 0.517 19.617 19.000 0.167 0.000 0.815 487 A HN 0.138 nan 8.150 nan 0.000 0.443 488 V N 0.289 120.296 119.914 0.155 0.000 2.378 488 V HA 0.436 4.556 4.120 -0.000 0.000 0.288 488 V C -0.112 176.020 176.094 0.063 0.000 1.016 488 V CA -0.196 62.200 62.300 0.159 0.000 0.840 488 V CB 1.339 33.222 31.823 0.100 0.000 0.994 488 V HN 0.306 nan 8.190 nan 0.000 0.431 489 L N 3.987 125.274 121.223 0.107 0.000 3.327 489 L HA 0.697 5.037 4.340 -0.000 0.000 0.299 489 L C 0.870 177.842 176.870 0.170 0.000 1.201 489 L CA 0.926 55.812 54.840 0.076 0.000 1.059 489 L CB 0.723 42.819 42.059 0.061 0.000 1.488 489 L HN 0.805 nan 8.230 nan 0.000 0.609 490 G N -1.230 107.669 108.800 0.166 0.000 2.500 490 G HA2 0.455 4.415 3.960 -0.000 0.000 0.299 490 G HA3 0.455 4.415 3.960 -0.000 0.000 0.299 490 G C -0.389 174.601 174.900 0.151 0.000 1.242 490 G CA 0.448 45.639 45.100 0.153 0.000 0.859 490 G HN -0.176 nan 8.290 nan 0.000 0.481 491 T N -2.974 111.684 114.554 0.174 0.000 3.502 491 T HA 0.380 4.730 4.350 -0.000 0.000 0.310 491 T C 1.052 175.966 174.700 0.357 0.000 0.902 491 T CA 0.958 63.199 62.100 0.236 0.000 0.964 491 T CB 0.414 69.386 68.868 0.173 0.000 1.200 491 T HN 0.374 nan 8.240 nan 0.000 0.599 492 S N 1.911 117.775 115.700 0.275 0.000 2.431 492 S HA 0.268 4.738 4.470 -0.000 0.000 0.210 492 S C 0.919 175.695 174.600 0.292 0.000 1.013 492 S CA 0.049 58.399 58.200 0.250 0.000 0.920 492 S CB -0.064 63.220 63.200 0.140 0.000 0.882 492 S HN 0.537 nan 8.310 nan 0.000 0.567 493 N N 0.378 119.212 118.700 0.223 0.000 2.476 493 N HA 0.379 5.119 4.740 -0.000 0.000 0.287 493 N C -1.236 174.420 175.510 0.243 0.000 1.262 493 N CA -0.239 52.928 53.050 0.196 0.000 0.980 493 N CB 0.503 39.054 38.487 0.108 0.000 1.163 493 N HN 0.249 nan 8.380 nan 0.000 0.592 494 F N 0.659 120.584 119.950 -0.041 0.000 2.824 494 F HA 0.244 4.771 4.527 -0.000 0.000 0.368 494 F C 0.042 175.769 175.800 -0.121 0.000 1.398 494 F CA -0.729 57.153 58.000 -0.196 0.000 1.142 494 F CB 0.221 39.032 39.000 -0.315 0.000 1.997 494 F HN 0.268 nan 8.300 nan 0.000 0.598 495 K N 2.250 122.463 120.400 -0.313 0.000 2.440 495 K HA 0.507 4.826 4.320 -0.000 0.000 0.270 495 K C -1.279 175.022 176.600 -0.498 0.000 0.980 495 K CA 0.138 56.249 56.287 -0.293 0.000 0.953 495 K CB 0.789 33.181 32.500 -0.181 0.000 0.925 495 K HN 0.308 nan 8.250 nan 0.000 0.497 496 V N 2.413 122.137 119.914 -0.316 0.000 2.752 496 V HA 0.206 4.326 4.120 -0.000 0.000 0.302 496 V C -1.316 174.690 176.094 -0.147 0.000 1.133 496 V CA -0.837 61.308 62.300 -0.259 0.000 0.919 496 V CB 2.208 33.910 31.823 -0.201 0.000 1.026 496 V HN 0.849 nan 8.190 nan 0.000 0.429 497 S N 2.942 118.563 115.700 -0.132 0.000 2.502 497 S HA 0.983 5.453 4.470 -0.000 0.000 0.304 497 S C -0.169 174.358 174.600 -0.122 0.000 1.097 497 S CA -0.101 58.017 58.200 -0.137 0.000 1.045 497 S CB 1.971 65.083 63.200 -0.147 0.000 1.019 497 S HN 1.362 nan 8.310 nan 0.000 0.481 498 A N 1.508 124.232 122.820 -0.161 0.000 2.511 498 A HA 0.802 5.122 4.320 -0.000 0.000 0.293 498 A C -0.661 176.773 177.584 -0.250 0.000 1.098 498 A CA -0.714 51.231 52.037 -0.153 0.000 0.643 498 A CB 0.665 19.614 19.000 -0.086 0.000 1.302 498 A HN 0.711 nan 8.150 nan 0.000 0.446 499 S N 0.897 116.488 115.700 -0.182 0.000 2.545 499 S HA 0.476 4.946 4.470 -0.000 0.000 0.275 499 S C -1.081 173.465 174.600 -0.090 0.000 1.299 499 S CA -0.920 57.176 58.200 -0.174 0.000 1.048 499 S CB 0.726 63.942 63.200 0.027 0.000 0.938 499 S HN 0.464 nan 8.310 nan 0.000 0.496 500 P HA -0.170 nan 4.420 nan 0.000 0.219 500 P C 1.354 178.644 177.300 -0.016 0.000 1.145 500 P CA 1.167 64.192 63.100 -0.125 0.000 0.813 500 P CB -0.048 31.458 31.700 -0.323 0.000 0.771 501 L N -1.633 119.626 121.223 0.061 0.000 2.362 501 L HA -0.061 4.279 4.340 -0.000 0.000 0.219 501 L C 2.171 179.070 176.870 0.050 0.000 1.134 501 L CA 0.967 55.880 54.840 0.122 0.000 0.807 501 L CB -0.487 41.712 42.059 0.235 0.000 0.927 501 L HN -0.004 nan 8.230 nan 0.000 0.447 502 L N -2.420 118.806 121.223 0.004 0.000 2.857 502 L HA 0.014 4.354 4.340 -0.000 0.000 0.249 502 L C 1.802 178.602 176.870 -0.117 0.000 1.172 502 L CA -0.305 54.478 54.840 -0.094 0.000 0.980 502 L CB -0.141 41.825 42.059 -0.154 0.000 1.299 502 L HN 0.070 nan 8.230 nan 0.000 0.535 503 Y N 1.391 121.609 120.300 -0.137 0.000 2.097 503 Y HA -0.310 4.240 4.550 -0.000 0.000 0.282 503 Y C 2.446 178.269 175.900 -0.128 0.000 1.152 503 Y CA 2.319 60.343 58.100 -0.127 0.000 1.136 503 Y CB -0.287 38.106 38.460 -0.112 0.000 0.975 503 Y HN 0.080 nan 8.280 nan 0.000 0.498 504 T N 1.021 115.441 114.554 -0.224 0.000 2.962 504 T HA -0.138 4.212 4.350 -0.000 0.000 0.270 504 T C 1.748 176.262 174.700 -0.310 0.000 1.088 504 T CA 1.219 63.144 62.100 -0.292 0.000 1.127 504 T CB -0.455 68.334 68.868 -0.131 0.000 0.883 504 T HN 0.287 nan 8.240 nan 0.000 0.493 505 L N 1.014 122.061 121.223 -0.293 0.000 2.044 505 L HA 0.181 4.521 4.340 -0.000 0.000 0.205 505 L C 2.063 178.763 176.870 -0.284 0.000 1.075 505 L CA 1.396 56.051 54.840 -0.308 0.000 0.747 505 L CB -0.565 41.251 42.059 -0.405 0.000 0.903 505 L HN 0.220 nan 8.230 nan 0.000 0.435 506 I N -0.348 120.025 120.570 -0.329 0.000 2.163 506 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 506 I C 2.496 178.532 176.117 -0.134 0.000 1.085 506 I CA 1.723 62.959 61.300 -0.108 0.000 1.347 506 I CB -0.473 37.461 38.000 -0.109 0.000 1.044 506 I HN 0.454 nan 8.210 nan 0.000 0.408 507 E N 1.503 121.470 120.200 -0.389 0.000 1.997 507 E HA -0.296 4.053 4.350 -0.000 0.000 0.201 507 E C 2.095 178.449 176.600 -0.410 0.000 1.011 507 E CA 1.666 57.766 56.400 -0.500 0.000 0.847 507 E CB 0.036 29.333 29.700 -0.673 0.000 0.787 507 E HN 0.114 nan 8.360 nan 0.000 0.472 508 K N -0.078 120.120 120.400 -0.336 0.000 2.228 508 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 508 K C 1.987 178.521 176.600 -0.110 0.000 1.045 508 K CA 1.708 57.854 56.287 -0.236 0.000 0.931 508 K CB -0.552 31.821 32.500 -0.212 0.000 0.727 508 K HN 0.186 nan 8.250 nan 0.000 0.458 509 T N 0.238 114.771 114.554 -0.035 0.000 2.851 509 T HA 0.034 4.384 4.350 -0.000 0.000 0.262 509 T C 1.497 176.244 174.700 0.078 0.000 1.043 509 T CA 0.925 63.091 62.100 0.109 0.000 1.140 509 T CB -0.054 69.007 68.868 0.321 0.000 0.872 509 T HN 0.162 nan 8.240 nan 0.000 0.446 510 M N 1.129 120.749 119.600 0.034 0.000 2.629 510 M HA -0.015 4.465 4.480 -0.000 0.000 0.257 510 M C 1.777 178.148 176.300 0.119 0.000 1.071 510 M CA 1.163 56.486 55.300 0.039 0.000 1.077 510 M CB -0.301 32.361 32.600 0.105 0.000 1.423 510 M HN 0.273 nan 8.290 nan 0.000 0.508 511 Q N -0.614 119.217 119.800 0.050 0.000 2.319 511 Q HA 0.094 4.434 4.340 -0.000 0.000 0.202 511 Q C 1.114 177.239 176.000 0.208 0.000 0.896 511 Q CA 0.196 56.039 55.803 0.067 0.000 0.942 511 Q CB 0.508 29.177 28.738 -0.115 0.000 1.083 511 Q HN 0.526 nan 8.270 nan 0.000 0.510 512 N N -0.688 118.175 118.700 0.271 0.000 2.332 512 N HA 0.076 4.816 4.740 -0.000 0.000 0.190 512 N C -0.326 175.342 175.510 0.263 0.000 1.117 512 N CA 0.300 53.556 53.050 0.343 0.000 0.883 512 N CB 1.491 40.170 38.487 0.320 0.000 1.089 512 N HN -0.085 nan 8.380 nan 0.000 0.480 513 V N 2.665 122.669 119.914 0.151 0.000 2.407 513 V HA 0.244 4.364 4.120 -0.000 0.000 0.278 513 V C 0.164 176.203 176.094 -0.091 0.000 1.037 513 V CA -0.586 61.703 62.300 -0.019 0.000 0.900 513 V CB 1.623 33.382 31.823 -0.106 0.000 0.983 513 V HN -0.054 nan 8.190 nan 0.000 0.459 514 K N 2.952 123.217 120.400 -0.224 0.000 2.183 514 K HA 0.375 4.695 4.320 -0.000 0.000 0.274 514 K C -0.012 176.534 176.600 -0.090 0.000 1.009 514 K CA -0.695 55.421 56.287 -0.284 0.000 0.888 514 K CB 1.133 33.346 32.500 -0.478 0.000 1.078 514 K HN 0.806 nan 8.250 nan 0.000 0.459 515 H N 4.171 123.174 119.070 -0.111 0.000 3.092 515 H HA -0.070 4.486 4.556 -0.000 0.000 0.332 515 H C -1.316 173.950 175.328 -0.104 0.000 1.029 515 H CA -0.752 55.276 56.048 -0.033 0.000 1.376 515 H CB 0.951 30.718 29.762 0.009 0.000 1.329 515 H HN 0.433 nan 8.280 nan 0.000 0.598 516 P HA -0.163 nan 4.420 nan 0.000 0.217 516 P C 1.165 178.500 177.300 0.058 0.000 1.151 516 P CA 1.021 64.125 63.100 0.007 0.000 0.828 516 P CB 0.340 31.923 31.700 -0.195 0.000 0.788 517 V N -0.026 119.993 119.914 0.175 0.000 2.283 517 V HA -0.032 4.087 4.120 -0.000 0.000 0.239 517 V C 1.249 177.231 176.094 -0.187 0.000 1.035 517 V CA 1.628 63.883 62.300 -0.075 0.000 1.018 517 V CB -1.677 30.068 31.823 -0.131 0.000 0.658 517 V HN 0.091 nan 8.190 nan 0.000 0.459 518 T N 1.061 115.366 114.554 -0.415 0.000 2.901 518 T HA 0.300 4.650 4.350 -0.000 0.000 0.301 518 T C 1.189 175.812 174.700 -0.129 0.000 1.012 518 T CA 0.475 62.410 62.100 -0.275 0.000 1.135 518 T CB 1.299 69.963 68.868 -0.342 0.000 0.936 518 T HN 0.499 nan 8.240 nan 0.000 0.539 519 G N 2.315 111.057 108.800 -0.097 0.000 2.679 519 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.212 519 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.212 519 G C 0.531 175.365 174.900 -0.109 0.000 1.137 519 G CA 0.216 45.259 45.100 -0.094 0.000 0.787 519 G HN 0.642 nan 8.290 nan 0.000 0.534 520 Q N -0.667 119.103 119.800 -0.050 0.000 2.317 520 Q HA 0.408 4.748 4.340 -0.000 0.000 0.229 520 Q C -0.621 175.391 176.000 0.021 0.000 0.984 520 Q CA -0.761 55.061 55.803 0.032 0.000 0.911 520 Q CB 0.941 29.735 28.738 0.093 0.000 1.217 520 Q HN 0.234 nan 8.270 nan 0.000 0.501 521 F N 0.478 120.454 119.950 0.043 0.000 2.444 521 F HA -0.007 4.520 4.527 -0.000 0.000 0.331 521 F C 1.438 177.269 175.800 0.052 0.000 1.167 521 F CA -0.041 57.987 58.000 0.047 0.000 1.262 521 F CB 0.220 39.258 39.000 0.064 0.000 1.196 521 F HN 0.461 nan 8.300 nan 0.000 0.583 522 L N 0.712 122.044 121.223 0.181 0.000 2.083 522 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 522 L C 0.538 177.506 176.870 0.164 0.000 1.083 522 L CA 0.845 55.708 54.840 0.039 0.000 0.752 522 L CB -0.429 41.455 42.059 -0.292 0.000 0.899 522 L HN 0.471 nan 8.230 nan 0.000 0.433 523 Y N 2.190 122.536 120.300 0.078 0.000 2.496 523 Y HA 0.022 4.572 4.550 -0.000 0.000 0.334 523 Y C 0.488 176.424 175.900 0.061 0.000 1.080 523 Y CA -0.752 57.384 58.100 0.059 0.000 1.355 523 Y CB -0.011 38.466 38.460 0.029 0.000 1.193 523 Y HN 0.097 nan 8.280 nan 0.000 0.523 524 Q N 5.921 125.475 119.800 -0.410 0.000 2.381 524 Q HA -0.063 4.277 4.340 -0.000 0.000 0.243 524 Q C 0.772 176.391 176.000 -0.634 0.000 1.154 524 Q CA -0.053 55.523 55.803 -0.378 0.000 0.899 524 Q CB 0.347 28.949 28.738 -0.227 0.000 1.396 524 Q HN 0.789 nan 8.270 nan 0.000 0.485 525 D N 0.949 121.120 120.400 -0.382 0.000 2.357 525 D HA -0.124 4.516 4.640 -0.000 0.000 0.216 525 D C 1.257 177.462 176.300 -0.158 0.000 0.973 525 D CA 1.088 54.936 54.000 -0.254 0.000 0.912 525 D CB 0.384 41.132 40.800 -0.087 0.000 0.900 525 D HN 0.494 nan 8.370 nan 0.000 0.501 526 S N -0.474 115.136 115.700 -0.150 0.000 2.603 526 S HA 0.023 4.493 4.470 -0.000 0.000 0.220 526 S C 0.700 175.277 174.600 -0.038 0.000 0.967 526 S CA -0.304 57.857 58.200 -0.064 0.000 0.920 526 S CB 0.271 63.443 63.200 -0.047 0.000 0.773 526 S HN 0.067 nan 8.310 nan 0.000 0.529 527 N N 0.708 119.348 118.700 -0.100 0.000 2.545 527 N HA 0.393 5.133 4.740 -0.000 0.000 0.289 527 N C 0.091 175.664 175.510 0.105 0.000 1.279 527 N CA -0.575 52.450 53.050 -0.041 0.000 0.824 527 N CB 0.807 39.205 38.487 -0.149 0.000 1.395 527 N HN 0.558 nan 8.380 nan 0.000 0.526 528 W N -1.622 119.732 121.300 0.090 0.000 2.592 528 W HA 0.552 5.212 4.660 -0.000 0.000 0.306 528 W C -0.946 175.688 176.519 0.191 0.000 0.991 528 W CA -0.339 57.094 57.345 0.148 0.000 1.430 528 W CB 0.323 29.838 29.460 0.093 0.000 1.017 528 W HN 0.399 nan 8.180 nan 0.000 0.557 529 A N 2.549 124.900 122.820 -0.781 0.000 2.409 529 A HA 0.603 4.922 4.320 -0.000 0.000 0.300 529 A C -0.188 177.238 177.584 -0.263 0.000 1.273 529 A CA -0.296 51.289 52.037 -0.753 0.000 0.774 529 A CB 0.609 18.730 19.000 -1.464 0.000 1.144 529 A HN 0.039 nan 8.150 nan 0.000 0.472 530 S N 1.201 116.950 115.700 0.080 0.000 2.624 530 S HA 0.346 4.816 4.470 -0.000 0.000 0.263 530 S C 0.269 174.929 174.600 0.100 0.000 1.287 530 S CA -0.534 57.757 58.200 0.152 0.000 0.990 530 S CB 0.881 64.257 63.200 0.294 0.000 0.950 530 S HN 0.714 nan 8.310 nan 0.000 0.561 531 K N 1.218 121.660 120.400 0.069 0.000 2.211 531 K HA 0.505 4.824 4.320 -0.000 0.000 0.275 531 K C -1.636 174.988 176.600 0.039 0.000 1.024 531 K CA -0.413 55.888 56.287 0.023 0.000 0.887 531 K CB 0.528 33.023 32.500 -0.009 0.000 1.084 531 K HN 0.370 nan 8.250 nan 0.000 0.463 532 V N 3.750 123.674 119.914 0.016 0.000 2.540 532 V HA 0.270 4.390 4.120 -0.000 0.000 0.302 532 V C -0.420 175.623 176.094 -0.085 0.000 1.035 532 V CA -0.895 61.398 62.300 -0.011 0.000 0.873 532 V CB 1.621 33.474 31.823 0.049 0.000 0.992 532 V HN 0.868 nan 8.190 nan 0.000 0.428 533 E N 2.680 122.812 120.200 -0.112 0.000 2.283 533 E HA 0.460 4.810 4.350 -0.000 0.000 0.271 533 E C -0.532 175.951 176.600 -0.196 0.000 1.031 533 E CA -0.754 55.564 56.400 -0.137 0.000 0.868 533 E CB 1.235 30.859 29.700 -0.127 0.000 1.094 533 E HN 0.546 nan 8.360 nan 0.000 0.401 534 K N 1.999 122.279 120.400 -0.200 0.000 2.237 534 K HA 0.201 4.521 4.320 -0.000 0.000 0.270 534 K C -0.539 175.940 176.600 -0.202 0.000 1.015 534 K CA -0.651 55.480 56.287 -0.260 0.000 0.949 534 K CB 0.552 32.951 32.500 -0.169 0.000 0.976 534 K HN 0.303 nan 8.250 nan 0.000 0.472 535 L N 2.805 123.917 121.223 -0.186 0.000 2.380 535 L HA 0.142 4.482 4.340 -0.000 0.000 0.273 535 L C 0.669 177.440 176.870 -0.164 0.000 1.138 535 L CA 0.242 55.030 54.840 -0.086 0.000 0.832 535 L CB 0.327 42.425 42.059 0.065 0.000 1.124 535 L HN 0.809 nan 8.230 nan 0.000 0.454 536 T N -0.121 114.274 114.554 -0.265 0.000 2.928 536 T HA 0.263 4.613 4.350 -0.000 0.000 0.284 536 T C 1.337 175.587 174.700 -0.749 0.000 1.008 536 T CA -0.897 60.918 62.100 -0.476 0.000 1.057 536 T CB 1.751 70.433 68.868 -0.311 0.000 1.018 536 T HN 0.341 nan 8.240 nan 0.000 0.493 537 L N 1.440 122.062 121.223 -1.001 0.000 2.270 537 L HA -0.110 4.230 4.340 -0.000 0.000 0.217 537 L C 1.349 177.960 176.870 -0.432 0.000 1.107 537 L CA 2.032 56.296 54.840 -0.960 0.000 0.772 537 L CB -1.045 40.631 42.059 -0.640 0.000 0.902 537 L HN 0.926 nan 8.230 nan 0.000 0.439 538 D N -1.895 118.318 120.400 -0.312 0.000 2.722 538 D HA -0.012 4.627 4.640 -0.000 0.000 0.239 538 D C 0.106 176.366 176.300 -0.066 0.000 1.249 538 D CA -0.199 53.709 54.000 -0.154 0.000 0.830 538 D CB -0.387 40.333 40.800 -0.132 0.000 1.025 538 D HN 0.377 nan 8.370 nan 0.000 0.486 539 N N -0.125 118.557 118.700 -0.030 0.000 2.480 539 N HA 0.352 5.092 4.740 -0.000 0.000 0.289 539 N C 0.929 176.518 175.510 0.132 0.000 1.073 539 N CA -0.453 52.621 53.050 0.040 0.000 0.885 539 N CB 1.596 40.087 38.487 0.007 0.000 1.421 539 N HN -0.029 nan 8.380 nan 0.000 0.503 540 A N 3.040 125.936 122.820 0.128 0.000 2.023 540 A HA -0.263 4.057 4.320 -0.000 0.000 0.223 540 A C 2.056 179.777 177.584 0.228 0.000 1.180 540 A CA 2.389 54.507 52.037 0.135 0.000 0.659 540 A CB -0.710 18.361 19.000 0.120 0.000 0.817 540 A HN 0.766 nan 8.150 nan 0.000 0.466 541 A N -1.560 121.430 122.820 0.284 0.000 1.968 541 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 541 A C 1.931 179.680 177.584 0.274 0.000 1.169 541 A CA 1.380 53.622 52.037 0.342 0.000 0.638 541 A CB -0.631 18.499 19.000 0.216 0.000 0.812 541 A HN 0.715 nan 8.150 nan 0.000 0.446 542 F N 1.608 121.595 119.950 0.062 0.000 2.065 542 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 542 F C -0.701 175.152 175.800 0.088 0.000 1.112 542 F CA 2.178 60.177 58.000 -0.003 0.000 1.212 542 F CB -1.313 37.608 39.000 -0.131 0.000 0.975 542 F HN 0.157 nan 8.300 nan 0.000 0.476 543 P HA -0.196 nan 4.420 nan 0.000 0.215 543 P C 1.790 179.140 177.300 0.085 0.000 1.157 543 P CA 1.827 64.972 63.100 0.075 0.000 0.868 543 P CB -0.310 31.453 31.700 0.105 0.000 0.788 544 F N -1.158 118.750 119.950 -0.070 0.000 2.154 544 F HA -0.179 4.348 4.527 -0.000 0.000 0.301 544 F C 2.128 177.943 175.800 0.026 0.000 1.087 544 F CA 1.355 59.323 58.000 -0.053 0.000 1.274 544 F CB -0.942 37.948 39.000 -0.182 0.000 1.009 544 F HN -0.112 nan 8.300 nan 0.000 0.485 545 L N -0.621 120.703 121.223 0.168 0.000 2.221 545 L HA 0.280 4.620 4.340 -0.000 0.000 0.202 545 L C 2.118 178.976 176.870 -0.020 0.000 1.074 545 L CA 1.691 56.575 54.840 0.074 0.000 0.795 545 L CB -1.008 41.066 42.059 0.025 0.000 0.960 545 L HN -0.065 nan 8.230 nan 0.000 0.458 546 A N -2.039 120.665 122.820 -0.193 0.000 2.123 546 A HA -0.067 4.253 4.320 -0.000 0.000 0.214 546 A C 1.919 179.634 177.584 0.217 0.000 1.152 546 A CA 1.265 53.222 52.037 -0.133 0.000 0.728 546 A CB -0.567 17.893 19.000 -0.901 0.000 0.814 546 A HN 0.650 nan 8.150 nan 0.000 0.464 547 Y N -1.122 119.213 120.300 0.058 0.000 2.664 547 Y HA 0.204 4.754 4.550 -0.000 0.000 0.278 547 Y C 2.044 177.969 175.900 0.042 0.000 1.130 547 Y CA 1.124 59.257 58.100 0.055 0.000 1.260 547 Y CB 0.312 38.766 38.460 -0.011 0.000 1.369 547 Y HN 0.150 nan 8.280 nan 0.000 0.499 548 S N -0.182 115.501 115.700 -0.028 0.000 2.535 548 S HA 0.229 4.699 4.470 -0.000 0.000 0.214 548 S C 1.242 175.924 174.600 0.137 0.000 0.980 548 S CA 0.580 58.725 58.200 -0.092 0.000 0.907 548 S CB -0.015 63.111 63.200 -0.125 0.000 0.790 548 S HN 0.799 nan 8.310 nan 0.000 0.510 549 G N 2.167 111.080 108.800 0.189 0.000 2.221 549 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.265 549 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.265 549 G C -0.168 174.904 174.900 0.287 0.000 1.041 549 G CA -0.172 45.099 45.100 0.285 0.000 0.807 549 G HN 0.415 nan 8.290 nan 0.000 0.502 550 I N 1.365 122.095 120.570 0.267 0.000 2.354 550 I HA 0.340 4.510 4.170 -0.000 0.000 0.292 550 I C -1.805 174.481 176.117 0.282 0.000 0.989 550 I CA -3.134 58.350 61.300 0.305 0.000 1.188 550 I CB 1.297 39.542 38.000 0.408 0.000 1.342 550 I HN -0.066 nan 8.210 nan 0.000 0.457 551 P HA 0.246 nan 4.420 nan 0.000 0.271 551 P C -0.912 176.493 177.300 0.175 0.000 1.216 551 P CA -0.161 63.063 63.100 0.208 0.000 0.771 551 P CB 1.318 33.149 31.700 0.218 0.000 0.864 552 A N 3.384 126.274 122.820 0.116 0.000 2.455 552 A HA 0.555 4.875 4.320 -0.000 0.000 0.300 552 A C -0.939 176.647 177.584 0.004 0.000 1.040 552 A CA -0.760 51.333 52.037 0.093 0.000 0.697 552 A CB 1.811 20.941 19.000 0.216 0.000 1.265 552 A HN 0.417 nan 8.150 nan 0.000 0.407 553 V N 1.334 121.231 119.914 -0.028 0.000 2.966 553 V HA 0.907 5.027 4.120 -0.000 0.000 0.317 553 V C 0.081 176.140 176.094 -0.059 0.000 1.070 553 V CA 0.270 62.564 62.300 -0.010 0.000 1.008 553 V CB 2.147 34.025 31.823 0.091 0.000 1.070 553 V HN 1.481 nan 8.190 nan 0.000 0.457 554 S N 3.758 119.417 115.700 -0.067 0.000 2.441 554 S HA 0.373 4.843 4.470 -0.000 0.000 0.187 554 S C -0.910 173.546 174.600 -0.241 0.000 0.917 554 S CA -0.706 57.359 58.200 -0.224 0.000 1.078 554 S CB -0.108 62.992 63.200 -0.166 0.000 1.379 554 S HN 0.870 nan 8.310 nan 0.000 0.399 555 F N 1.563 121.423 119.950 -0.150 0.000 2.368 555 F HA 0.903 5.430 4.527 -0.000 0.000 0.315 555 F C 0.259 175.870 175.800 -0.315 0.000 1.145 555 F CA -1.371 56.422 58.000 -0.346 0.000 1.095 555 F CB 0.315 39.085 39.000 -0.385 0.000 1.286 555 F HN 0.455 nan 8.300 nan 0.000 0.530 556 C N 2.525 121.722 119.300 -0.172 0.000 2.871 556 C HA 0.439 4.899 4.460 -0.000 0.000 0.378 556 C C -0.712 174.237 174.990 -0.069 0.000 1.052 556 C CA -1.104 57.880 59.018 -0.057 0.000 1.250 556 C CB -0.450 27.229 27.740 -0.101 0.000 1.689 556 C HN 0.830 nan 8.230 nan 0.000 0.506 557 F N 4.660 124.714 119.950 0.173 0.000 2.783 557 F HA 0.236 4.763 4.527 -0.000 0.000 0.338 557 F C 1.665 177.526 175.800 0.101 0.000 1.178 557 F CA -0.054 58.062 58.000 0.194 0.000 1.343 557 F CB -0.286 38.801 39.000 0.145 0.000 1.496 557 F HN 0.675 nan 8.300 nan 0.000 0.583 558 C N 0.741 120.136 119.300 0.157 0.000 2.883 558 C HA 0.023 4.483 4.460 -0.000 0.000 0.347 558 C C 0.738 175.798 174.990 0.117 0.000 1.361 558 C CA -0.067 59.010 59.018 0.099 0.000 2.102 558 C CB 0.097 27.846 27.740 0.014 0.000 2.496 558 C HN 0.439 nan 8.230 nan 0.000 0.758 559 E N -0.188 120.057 120.200 0.075 0.000 2.393 559 E HA 0.204 4.554 4.350 -0.000 0.000 0.273 559 E C 0.052 176.664 176.600 0.020 0.000 0.918 559 E CA -0.433 56.004 56.400 0.062 0.000 0.773 559 E CB 1.177 30.912 29.700 0.057 0.000 1.275 559 E HN 0.512 nan 8.360 nan 0.000 0.451 560 D N -0.008 120.400 120.400 0.013 0.000 2.190 560 D HA -0.083 4.556 4.640 -0.000 0.000 0.200 560 D C -0.022 176.255 176.300 -0.038 0.000 0.992 560 D CA 1.482 55.477 54.000 -0.008 0.000 0.854 560 D CB 0.208 41.006 40.800 -0.003 0.000 0.936 560 D HN 0.128 nan 8.370 nan 0.000 0.462 561 T N 0.916 115.439 114.554 -0.051 0.000 2.797 561 T HA 0.314 4.664 4.350 -0.000 0.000 0.279 561 T C -0.855 173.787 174.700 -0.097 0.000 0.991 561 T CA -1.041 60.995 62.100 -0.107 0.000 0.979 561 T CB 1.521 70.307 68.868 -0.136 0.000 0.943 561 T HN 0.009 nan 8.240 nan 0.000 0.444 562 D N 1.076 121.397 120.400 -0.132 0.000 2.414 562 D HA 0.053 4.693 4.640 -0.000 0.000 0.242 562 D C -0.166 176.128 176.300 -0.010 0.000 1.129 562 D CA -0.490 53.481 54.000 -0.049 0.000 0.885 562 D CB 0.204 40.978 40.800 -0.044 0.000 1.198 562 D HN 0.461 nan 8.370 nan 0.000 0.437 563 Y N 2.641 122.908 120.300 -0.054 0.000 2.895 563 Y HA -0.034 4.516 4.550 -0.000 0.000 0.334 563 Y C -1.086 174.822 175.900 0.013 0.000 1.261 563 Y CA -0.804 57.259 58.100 -0.061 0.000 1.560 563 Y CB 0.654 39.105 38.460 -0.015 0.000 1.253 563 Y HN 0.400 nan 8.280 nan 0.000 0.582 564 P HA -0.171 nan 4.420 nan 0.000 0.215 564 P C 0.946 178.423 177.300 0.296 0.000 1.160 564 P CA 1.677 64.876 63.100 0.164 0.000 0.869 564 P CB -0.074 31.619 31.700 -0.011 0.000 0.782 565 Y N -0.709 119.653 120.300 0.103 0.000 2.651 565 Y HA -0.124 4.426 4.550 -0.000 0.000 0.296 565 Y C 2.500 178.626 175.900 0.376 0.000 1.150 565 Y CA -0.925 57.313 58.100 0.230 0.000 1.348 565 Y CB -0.820 37.775 38.460 0.226 0.000 0.983 565 Y HN -0.141 nan 8.280 nan 0.000 0.555 566 L N 0.748 122.332 121.223 0.602 0.000 2.012 566 L HA -0.263 4.077 4.340 -0.000 0.000 0.236 566 L C 2.334 179.411 176.870 0.345 0.000 1.099 566 L CA 2.400 57.495 54.840 0.425 0.000 0.821 566 L CB -1.169 41.094 42.059 0.339 0.000 0.918 566 L HN 0.232 nan 8.230 nan 0.000 0.445 567 G N -2.378 106.608 108.800 0.310 0.000 3.279 567 G HA2 0.177 4.137 3.960 -0.000 0.000 0.230 567 G HA3 0.177 4.137 3.960 -0.000 0.000 0.230 567 G C 0.353 175.517 174.900 0.440 0.000 1.230 567 G CA 0.690 45.986 45.100 0.327 0.000 0.891 567 G HN 0.413 nan 8.290 nan 0.000 0.518 568 T N -1.748 113.087 114.554 0.468 0.000 2.907 568 T HA 0.381 4.731 4.350 -0.000 0.000 0.290 568 T C 1.803 176.777 174.700 0.457 0.000 1.066 568 T CA 0.390 62.818 62.100 0.548 0.000 1.012 568 T CB 1.345 70.469 68.868 0.426 0.000 1.184 568 T HN 0.081 nan 8.240 nan 0.000 0.522 569 T N 0.758 115.546 114.554 0.391 0.000 3.118 569 T HA -0.039 4.311 4.350 -0.000 0.000 0.269 569 T C 1.525 176.290 174.700 0.108 0.000 1.166 569 T CA 1.025 63.217 62.100 0.153 0.000 1.073 569 T CB -0.462 68.433 68.868 0.043 0.000 0.884 569 T HN 0.539 nan 8.240 nan 0.000 0.550 570 M N 0.884 120.563 119.600 0.131 0.000 2.428 570 M HA 0.174 4.654 4.480 -0.000 0.000 0.239 570 M C 0.818 177.203 176.300 0.141 0.000 1.121 570 M CA 0.110 55.402 55.300 -0.013 0.000 1.019 570 M CB 0.235 32.655 32.600 -0.300 0.000 1.485 570 M HN -0.043 nan 8.290 nan 0.000 0.484 571 D N 2.134 122.707 120.400 0.288 0.000 2.924 571 D HA -0.022 4.618 4.640 -0.000 0.000 0.239 571 D C -0.125 176.332 176.300 0.260 0.000 1.198 571 D CA 0.215 54.435 54.000 0.367 0.000 0.958 571 D CB -0.195 40.791 40.800 0.310 0.000 1.169 571 D HN 0.308 nan 8.370 nan 0.000 0.438 572 T N -2.614 112.076 114.554 0.225 0.000 2.904 572 T HA 0.037 4.387 4.350 -0.000 0.000 0.290 572 T C 1.251 176.083 174.700 0.221 0.000 1.018 572 T CA -0.768 61.446 62.100 0.190 0.000 1.075 572 T CB 0.985 69.930 68.868 0.129 0.000 0.986 572 T HN 0.197 nan 8.240 nan 0.000 0.523 573 Y N 1.662 122.030 120.300 0.115 0.000 2.403 573 Y HA -0.002 4.548 4.550 -0.000 0.000 0.291 573 Y C 2.133 178.102 175.900 0.115 0.000 1.143 573 Y CA 1.304 59.469 58.100 0.109 0.000 1.257 573 Y CB -0.217 38.292 38.460 0.082 0.000 0.984 573 Y HN 0.662 nan 8.280 nan 0.000 0.550 574 K N -0.033 120.412 120.400 0.075 0.000 1.974 574 K HA -0.121 4.199 4.320 -0.000 0.000 0.211 574 K C 1.884 178.483 176.600 -0.001 0.000 1.039 574 K CA 1.203 57.489 56.287 -0.000 0.000 0.947 574 K CB -0.242 32.311 32.500 0.088 0.000 0.735 574 K HN 0.137 nan 8.250 nan 0.000 0.441 575 E N 1.299 121.554 120.200 0.091 0.000 2.339 575 E HA -0.211 4.139 4.350 -0.000 0.000 0.201 575 E C 1.870 178.620 176.600 0.250 0.000 1.015 575 E CA 0.762 57.273 56.400 0.186 0.000 0.841 575 E CB -0.190 29.627 29.700 0.196 0.000 0.754 575 E HN 0.161 nan 8.360 nan 0.000 0.508 576 L N 0.457 121.794 121.223 0.191 0.000 1.982 576 L HA -0.000 4.339 4.340 -0.000 0.000 0.206 576 L C 2.300 179.190 176.870 0.032 0.000 1.078 576 L CA 1.301 56.263 54.840 0.203 0.000 0.749 576 L CB -0.598 41.533 42.059 0.120 0.000 0.894 576 L HN 0.062 nan 8.230 nan 0.000 0.436 577 I N -0.528 119.939 120.570 -0.171 0.000 2.657 577 I HA -0.280 3.889 4.170 -0.000 0.000 0.261 577 I C 2.241 178.314 176.117 -0.074 0.000 1.212 577 I CA 1.334 62.522 61.300 -0.187 0.000 1.453 577 I CB -0.098 37.648 38.000 -0.423 0.000 1.092 577 I HN 0.576 nan 8.210 nan 0.000 0.452 578 E N 0.624 120.805 120.200 -0.031 0.000 2.285 578 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 578 E C 1.706 178.320 176.600 0.024 0.000 0.997 578 E CA 0.400 56.806 56.400 0.009 0.000 0.845 578 E CB 0.218 29.941 29.700 0.039 0.000 0.782 578 E HN 0.475 nan 8.360 nan 0.000 0.491 579 R N -0.213 120.308 120.500 0.035 0.000 2.432 579 R HA 0.314 4.653 4.340 -0.000 0.000 0.260 579 R C 0.538 176.859 176.300 0.035 0.000 0.935 579 R CA 0.048 56.162 56.100 0.024 0.000 1.080 579 R CB 0.834 31.127 30.300 -0.012 0.000 1.155 579 R HN 0.082 nan 8.270 nan 0.000 0.531 580 I N 0.031 120.618 120.570 0.028 0.000 2.719 580 I HA 0.156 4.326 4.170 -0.000 0.000 0.319 580 I C -2.312 173.807 176.117 0.003 0.000 1.522 580 I CA -1.696 59.620 61.300 0.027 0.000 0.785 580 I CB 1.202 39.235 38.000 0.054 0.000 2.022 580 I HN -0.140 nan 8.210 nan 0.000 0.579 581 P HA -0.281 nan 4.420 nan 0.000 0.232 581 P C 0.661 177.957 177.300 -0.006 0.000 1.135 581 P CA 1.885 64.981 63.100 -0.007 0.000 0.969 581 P CB -0.012 31.686 31.700 -0.003 0.000 0.777 582 E N -0.431 119.764 120.200 -0.008 0.000 2.349 582 E HA 0.034 4.384 4.350 -0.000 0.000 0.201 582 E C 1.426 178.019 176.600 -0.012 0.000 1.087 582 E CA -0.297 56.095 56.400 -0.013 0.000 1.128 582 E CB -0.873 28.811 29.700 -0.026 0.000 1.188 582 E HN 0.174 nan 8.360 nan 0.000 0.445 583 L N 1.435 122.660 121.223 0.003 0.000 2.151 583 L HA -0.315 4.025 4.340 -0.000 0.000 0.215 583 L C 1.774 178.677 176.870 0.055 0.000 1.084 583 L CA 2.255 57.108 54.840 0.023 0.000 0.764 583 L CB -0.874 41.206 42.059 0.035 0.000 0.891 583 L HN 0.217 nan 8.230 nan 0.000 0.435 584 N N -0.813 117.920 118.700 0.055 0.000 2.039 584 N HA -0.198 4.542 4.740 -0.000 0.000 0.193 584 N C 1.829 177.348 175.510 0.014 0.000 1.044 584 N CA 1.444 54.531 53.050 0.061 0.000 0.847 584 N CB -0.080 38.411 38.487 0.008 0.000 1.030 584 N HN 0.165 nan 8.380 nan 0.000 0.422 585 K N 0.285 120.660 120.400 -0.042 0.000 2.063 585 K HA -0.085 4.235 4.320 -0.000 0.000 0.208 585 K C 2.015 178.549 176.600 -0.110 0.000 1.048 585 K CA 0.854 57.094 56.287 -0.079 0.000 0.928 585 K CB -0.782 31.668 32.500 -0.083 0.000 0.713 585 K HN 0.137 nan 8.250 nan 0.000 0.442 586 V N 1.458 121.281 119.914 -0.151 0.000 2.233 586 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 586 V C 2.522 178.493 176.094 -0.204 0.000 1.050 586 V CA 2.142 64.232 62.300 -0.351 0.000 1.010 586 V CB -1.040 30.601 31.823 -0.304 0.000 0.637 586 V HN 0.312 nan 8.190 nan 0.000 0.444 587 A N 0.378 123.215 122.820 0.028 0.000 1.948 587 A HA -0.307 4.013 4.320 -0.000 0.000 0.220 587 A C 2.415 180.206 177.584 0.344 0.000 1.177 587 A CA 2.277 54.425 52.037 0.185 0.000 0.636 587 A CB -0.682 18.488 19.000 0.283 0.000 0.815 587 A HN 0.451 nan 8.150 nan 0.000 0.449 588 R N 0.165 120.911 120.500 0.410 0.000 2.080 588 R HA -0.154 4.186 4.340 -0.000 0.000 0.236 588 R C 2.264 178.690 176.300 0.210 0.000 1.137 588 R CA 2.019 58.367 56.100 0.414 0.000 0.943 588 R CB -0.985 29.314 30.300 -0.001 0.000 0.846 588 R HN 0.424 nan 8.270 nan 0.000 0.431 589 A N 1.079 123.925 122.820 0.044 0.000 1.859 589 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 589 A C 2.525 180.180 177.584 0.118 0.000 1.198 589 A CA 2.497 54.552 52.037 0.030 0.000 0.629 589 A CB -1.116 17.844 19.000 -0.067 0.000 0.830 589 A HN 0.571 nan 8.150 nan 0.000 0.446 590 A N -0.289 122.700 122.820 0.282 0.000 1.917 590 A HA 0.044 4.363 4.320 -0.000 0.000 0.219 590 A C 2.460 180.104 177.584 0.100 0.000 1.182 590 A CA 2.514 54.699 52.037 0.247 0.000 0.633 590 A CB -1.075 18.232 19.000 0.512 0.000 0.819 590 A HN 1.279 nan 8.150 nan 0.000 0.448 591 A N -0.938 121.964 122.820 0.138 0.000 2.121 591 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 591 A C 1.909 179.556 177.584 0.104 0.000 1.154 591 A CA 1.654 53.758 52.037 0.110 0.000 0.679 591 A CB -0.364 18.684 19.000 0.080 0.000 0.795 591 A HN 0.737 nan 8.150 nan 0.000 0.458 592 E N 0.050 120.275 120.200 0.042 0.000 2.075 592 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 592 E C 1.976 178.520 176.600 -0.094 0.000 0.969 592 E CA 1.264 57.661 56.400 -0.004 0.000 0.815 592 E CB -0.144 29.542 29.700 -0.023 0.000 0.776 592 E HN 0.439 nan 8.360 nan 0.000 0.457 593 V N -0.339 119.398 119.914 -0.294 0.000 2.407 593 V HA -0.144 3.976 4.120 -0.000 0.000 0.248 593 V C 2.333 177.985 176.094 -0.736 0.000 1.055 593 V CA 1.772 63.734 62.300 -0.563 0.000 1.049 593 V CB -1.099 30.183 31.823 -0.901 0.000 0.662 593 V HN 0.327 nan 8.190 nan 0.000 0.455 594 A N 1.317 123.890 122.820 -0.411 0.000 1.902 594 A HA 0.060 4.380 4.320 -0.000 0.000 0.217 594 A C 2.406 180.043 177.584 0.088 0.000 1.181 594 A CA 2.048 54.058 52.037 -0.045 0.000 0.623 594 A CB -1.528 17.636 19.000 0.273 0.000 0.818 594 A HN 0.726 nan 8.150 nan 0.000 0.443 595 G N -1.010 107.897 108.800 0.178 0.000 2.433 595 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 595 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 595 G C 1.617 176.787 174.900 0.451 0.000 1.186 595 G CA 0.959 46.325 45.100 0.443 0.000 0.779 595 G HN 0.602 nan 8.290 nan 0.000 0.543 596 Q N -0.724 119.266 119.800 0.317 0.000 2.096 596 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 596 Q C 2.419 178.724 176.000 0.508 0.000 0.982 596 Q CA 1.055 57.141 55.803 0.472 0.000 0.850 596 Q CB -0.274 28.756 28.738 0.486 0.000 0.901 596 Q HN 0.429 nan 8.270 nan 0.000 0.422 597 F N 0.173 120.238 119.950 0.192 0.000 2.063 597 F HA -0.259 4.268 4.527 -0.000 0.000 0.298 597 F C 2.376 178.254 175.800 0.130 0.000 1.109 597 F CA 0.906 58.982 58.000 0.127 0.000 1.212 597 F CB -1.209 37.859 39.000 0.114 0.000 0.973 597 F HN -0.097 nan 8.300 nan 0.000 0.480 598 V N 0.484 120.595 119.914 0.329 0.000 2.261 598 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 598 V C 2.473 178.740 176.094 0.288 0.000 1.047 598 V CA 1.852 64.232 62.300 0.133 0.000 1.015 598 V CB -0.718 30.950 31.823 -0.257 0.000 0.642 598 V HN 0.254 nan 8.190 nan 0.000 0.446 599 I N -0.544 120.304 120.570 0.462 0.000 2.163 599 I HA -0.239 3.931 4.170 -0.000 0.000 0.243 599 I C 2.699 179.102 176.117 0.477 0.000 1.085 599 I CA 1.470 63.093 61.300 0.539 0.000 1.347 599 I CB -0.555 37.739 38.000 0.490 0.000 1.044 599 I HN 0.233 nan 8.210 nan 0.000 0.408 600 K N 1.002 121.622 120.400 0.368 0.000 2.032 600 K HA -0.099 4.220 4.320 -0.000 0.000 0.209 600 K C 1.990 178.687 176.600 0.161 0.000 1.048 600 K CA 1.446 57.837 56.287 0.174 0.000 0.927 600 K CB -0.666 31.835 32.500 0.002 0.000 0.712 600 K HN 0.359 nan 8.250 nan 0.000 0.441 601 L N 1.107 122.452 121.223 0.203 0.000 2.633 601 L HA -0.090 4.250 4.340 -0.000 0.000 0.235 601 L C 1.361 178.410 176.870 0.298 0.000 1.163 601 L CA 0.725 55.715 54.840 0.249 0.000 0.859 601 L CB -0.295 41.984 42.059 0.367 0.000 0.973 601 L HN 0.211 nan 8.230 nan 0.000 0.451 602 T N -4.284 110.441 114.554 0.285 0.000 3.177 602 T HA -0.052 4.298 4.350 -0.000 0.000 0.262 602 T C 1.595 176.458 174.700 0.272 0.000 0.959 602 T CA 0.059 62.325 62.100 0.277 0.000 0.996 602 T CB -0.163 68.888 68.868 0.305 0.000 1.185 602 T HN 0.353 nan 8.240 nan 0.000 0.486 603 H N 2.311 121.558 119.070 0.296 0.000 2.278 603 H HA -0.158 4.398 4.556 -0.000 0.000 0.287 603 H C -0.387 175.029 175.328 0.145 0.000 1.107 603 H CA 1.988 58.204 56.048 0.280 0.000 1.192 603 H CB -0.286 29.649 29.762 0.288 0.000 1.346 603 H HN 0.353 nan 8.280 nan 0.000 0.478 604 D N -0.375 119.795 120.400 -0.385 0.000 2.340 604 D HA 0.129 4.769 4.640 -0.000 0.000 0.251 604 D C 1.088 177.295 176.300 -0.156 0.000 1.080 604 D CA 0.190 53.936 54.000 -0.423 0.000 0.971 604 D CB 2.292 42.782 40.800 -0.517 0.000 1.137 604 D HN 0.119 nan 8.370 nan 0.000 0.475 605 V N 0.023 119.869 119.914 -0.113 0.000 2.871 605 V HA -0.065 4.055 4.120 -0.000 0.000 0.256 605 V C -0.167 175.900 176.094 -0.045 0.000 1.082 605 V CA 1.249 63.522 62.300 -0.046 0.000 1.105 605 V CB -0.403 31.414 31.823 -0.010 0.000 0.713 605 V HN 0.456 nan 8.190 nan 0.000 0.473 606 E N 1.769 121.910 120.200 -0.098 0.000 2.229 606 E HA 0.305 4.655 4.350 -0.000 0.000 0.283 606 E C -0.273 176.220 176.600 -0.179 0.000 1.030 606 E CA -0.354 55.966 56.400 -0.134 0.000 0.836 606 E CB 0.894 30.427 29.700 -0.278 0.000 1.068 606 E HN 0.146 nan 8.360 nan 0.000 0.401 607 L N 4.025 125.163 121.223 -0.141 0.000 2.485 607 L HA 0.100 4.440 4.340 -0.000 0.000 0.279 607 L C -0.669 176.092 176.870 -0.181 0.000 1.124 607 L CA 0.165 54.878 54.840 -0.213 0.000 0.888 607 L CB -0.311 41.616 42.059 -0.220 0.000 1.217 607 L HN 0.506 nan 8.230 nan 0.000 0.464 608 N N 7.250 125.846 118.700 -0.175 0.000 2.807 608 N HA 0.249 4.989 4.740 -0.000 0.000 0.259 608 N C -0.617 174.845 175.510 -0.080 0.000 1.149 608 N CA 0.066 53.027 53.050 -0.149 0.000 1.042 608 N CB 0.502 38.893 38.487 -0.160 0.000 1.367 608 N HN 0.560 nan 8.380 nan 0.000 0.516 609 L N 0.721 121.934 121.223 -0.017 0.000 2.365 609 L HA 0.327 4.667 4.340 -0.000 0.000 0.273 609 L C -0.151 176.729 176.870 0.017 0.000 1.000 609 L CA -0.917 53.953 54.840 0.050 0.000 0.819 609 L CB 2.022 44.172 42.059 0.151 0.000 1.284 609 L HN 0.085 nan 8.230 nan 0.000 0.418 610 D N 1.746 122.135 120.400 -0.017 0.000 2.671 610 D HA 0.018 4.658 4.640 -0.000 0.000 0.228 610 D C 0.856 177.140 176.300 -0.028 0.000 1.102 610 D CA 0.112 54.048 54.000 -0.107 0.000 1.044 610 D CB -0.049 40.728 40.800 -0.039 0.000 1.113 610 D HN 0.373 nan 8.370 nan 0.000 0.480 611 Y N -0.596 119.794 120.300 0.151 0.000 2.639 611 Y HA -0.012 4.538 4.550 -0.000 0.000 0.297 611 Y C 1.349 177.389 175.900 0.234 0.000 1.151 611 Y CA 0.317 58.563 58.100 0.244 0.000 1.335 611 Y CB -0.580 37.998 38.460 0.196 0.000 0.994 611 Y HN 0.152 nan 8.280 nan 0.000 0.548 612 E N 0.977 121.086 120.200 -0.152 0.000 2.028 612 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 612 E C 1.812 178.426 176.600 0.023 0.000 0.984 612 E CA 0.929 57.285 56.400 -0.073 0.000 0.800 612 E CB -0.198 29.384 29.700 -0.196 0.000 0.758 612 E HN 0.485 nan 8.360 nan 0.000 0.448 613 E N 0.409 120.592 120.200 -0.028 0.000 2.352 613 E HA -0.230 4.120 4.350 -0.000 0.000 0.203 613 E C 1.547 178.061 176.600 -0.142 0.000 1.024 613 E CA 1.128 57.475 56.400 -0.089 0.000 0.842 613 E CB -0.252 29.364 29.700 -0.140 0.000 0.753 613 E HN 0.481 nan 8.360 nan 0.000 0.508 614 Y N 0.709 121.018 120.300 0.014 0.000 2.457 614 Y HA -0.029 4.521 4.550 -0.000 0.000 0.292 614 Y C 2.196 178.100 175.900 0.008 0.000 1.125 614 Y CA 0.418 58.464 58.100 -0.090 0.000 1.254 614 Y CB 0.150 38.558 38.460 -0.087 0.000 1.012 614 Y HN 0.029 nan 8.280 nan 0.000 0.555 615 N N -0.487 118.358 118.700 0.241 0.000 2.084 615 N HA -0.159 4.581 4.740 -0.000 0.000 0.190 615 N C 1.921 177.553 175.510 0.204 0.000 1.030 615 N CA 1.669 54.861 53.050 0.237 0.000 0.849 615 N CB -0.359 38.134 38.487 0.009 0.000 1.012 615 N HN 0.206 nan 8.380 nan 0.000 0.423 616 S N 1.388 117.161 115.700 0.123 0.000 2.351 616 S HA -0.120 4.350 4.470 -0.000 0.000 0.220 616 S C 1.841 176.501 174.600 0.100 0.000 1.035 616 S CA 0.944 59.207 58.200 0.104 0.000 1.031 616 S CB -0.346 62.878 63.200 0.040 0.000 0.928 616 S HN 0.316 nan 8.310 nan 0.000 0.433 617 Q N 0.318 120.138 119.800 0.032 0.000 2.217 617 Q HA -0.089 4.251 4.340 -0.000 0.000 0.209 617 Q C 2.140 178.311 176.000 0.284 0.000 0.988 617 Q CA 1.024 56.881 55.803 0.091 0.000 0.878 617 Q CB -0.581 28.043 28.738 -0.190 0.000 0.909 617 Q HN 0.361 nan 8.270 nan 0.000 0.424 618 L N 0.036 121.412 121.223 0.256 0.000 2.131 618 L HA -0.029 4.311 4.340 -0.000 0.000 0.206 618 L C 2.183 179.197 176.870 0.240 0.000 1.087 618 L CA 1.047 56.057 54.840 0.284 0.000 0.767 618 L CB -0.791 41.403 42.059 0.224 0.000 0.917 618 L HN 0.236 nan 8.230 nan 0.000 0.441 619 L N -1.778 119.566 121.223 0.201 0.000 2.056 619 L HA -0.173 4.166 4.340 -0.000 0.000 0.207 619 L C 2.574 179.510 176.870 0.110 0.000 1.078 619 L CA 1.777 56.706 54.840 0.148 0.000 0.749 619 L CB -0.479 41.679 42.059 0.165 0.000 0.901 619 L HN 0.293 nan 8.230 nan 0.000 0.433 620 S N -0.558 115.221 115.700 0.131 0.000 2.374 620 S HA -0.289 4.181 4.470 -0.000 0.000 0.227 620 S C 1.901 176.568 174.600 0.112 0.000 1.037 620 S CA 1.817 60.083 58.200 0.110 0.000 1.024 620 S CB -0.704 62.568 63.200 0.119 0.000 0.861 620 S HN 0.623 nan 8.310 nan 0.000 0.456 621 F N 2.565 122.501 119.950 -0.023 0.000 2.046 621 F HA -0.115 4.412 4.527 -0.000 0.000 0.297 621 F C 2.139 177.896 175.800 -0.072 0.000 1.123 621 F CA 1.897 59.847 58.000 -0.084 0.000 1.199 621 F CB -1.124 37.770 39.000 -0.177 0.000 0.972 621 F HN 0.077 nan 8.300 nan 0.000 0.474 622 V N 1.657 121.398 119.914 -0.288 0.000 2.278 622 V HA -0.376 3.744 4.120 -0.000 0.000 0.251 622 V C 2.717 178.625 176.094 -0.310 0.000 1.062 622 V CA 2.231 64.256 62.300 -0.458 0.000 1.038 622 V CB -0.933 30.705 31.823 -0.308 0.000 0.646 622 V HN 0.298 nan 8.190 nan 0.000 0.447 623 R N 0.142 120.560 120.500 -0.137 0.000 2.096 623 R HA -0.188 4.152 4.340 -0.000 0.000 0.229 623 R C 2.181 178.447 176.300 -0.057 0.000 1.134 623 R CA 1.969 58.033 56.100 -0.059 0.000 0.917 623 R CB -1.454 28.845 30.300 -0.001 0.000 0.832 623 R HN 0.561 nan 8.270 nan 0.000 0.430 624 D N 0.847 121.228 120.400 -0.032 0.000 2.203 624 D HA -0.179 4.461 4.640 -0.000 0.000 0.199 624 D C 1.812 178.162 176.300 0.083 0.000 0.997 624 D CA 0.844 54.867 54.000 0.039 0.000 0.863 624 D CB -0.056 40.787 40.800 0.070 0.000 0.928 624 D HN 0.065 nan 8.370 nan 0.000 0.458 625 L N 0.700 121.840 121.223 -0.138 0.000 2.156 625 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 625 L C 1.550 178.460 176.870 0.066 0.000 1.095 625 L CA 1.334 56.098 54.840 -0.127 0.000 0.770 625 L CB -0.680 41.045 42.059 -0.556 0.000 0.914 625 L HN -0.062 nan 8.230 nan 0.000 0.439 626 N N -0.184 118.511 118.700 -0.008 0.000 2.520 626 N HA -0.127 4.613 4.740 -0.000 0.000 0.185 626 N C 1.396 176.910 175.510 0.007 0.000 1.068 626 N CA 0.595 53.665 53.050 0.033 0.000 0.911 626 N CB -0.088 38.417 38.487 0.030 0.000 0.961 626 N HN 0.609 nan 8.380 nan 0.000 0.446 627 Q N -0.718 119.061 119.800 -0.034 0.000 2.515 627 Q HA -0.041 4.299 4.340 -0.000 0.000 0.212 627 Q C 0.148 175.825 176.000 -0.538 0.000 0.970 627 Q CA 0.693 56.324 55.803 -0.288 0.000 0.941 627 Q CB 0.103 28.599 28.738 -0.404 0.000 0.998 627 Q HN 0.530 nan 8.270 nan 0.000 0.518 628 Y N -1.550 118.714 120.300 -0.060 0.000 2.682 628 Y HA 0.263 4.813 4.550 -0.000 0.000 0.251 628 Y C 1.553 177.420 175.900 -0.055 0.000 1.172 628 Y CA -0.624 57.429 58.100 -0.078 0.000 1.186 628 Y CB 0.232 38.626 38.460 -0.110 0.000 1.216 628 Y HN -0.069 nan 8.280 nan 0.000 0.540 629 R N 0.892 121.435 120.500 0.070 0.000 2.170 629 R HA -0.229 4.111 4.340 -0.000 0.000 0.242 629 R C 2.118 178.440 176.300 0.038 0.000 1.145 629 R CA 1.307 57.446 56.100 0.066 0.000 0.984 629 R CB -0.042 30.287 30.300 0.047 0.000 0.869 629 R HN 0.449 nan 8.270 nan 0.000 0.455 630 A N 0.909 123.731 122.820 0.003 0.000 1.855 630 A HA -0.176 4.144 4.320 -0.000 0.000 0.215 630 A C 1.705 179.282 177.584 -0.011 0.000 1.191 630 A CA 1.702 53.730 52.037 -0.014 0.000 0.613 630 A CB -0.474 18.501 19.000 -0.043 0.000 0.829 630 A HN 0.308 nan 8.150 nan 0.000 0.442 631 D N 0.115 120.502 120.400 -0.022 0.000 2.117 631 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 631 D C 1.917 178.197 176.300 -0.034 0.000 0.987 631 D CA 1.186 55.142 54.000 -0.072 0.000 0.829 631 D CB -0.275 40.434 40.800 -0.152 0.000 0.961 631 D HN 0.299 nan 8.370 nan 0.000 0.460 632 I N 1.184 121.770 120.570 0.027 0.000 2.423 632 I HA -0.212 3.958 4.170 -0.000 0.000 0.254 632 I C 2.286 178.461 176.117 0.097 0.000 1.151 632 I CA 1.040 62.403 61.300 0.104 0.000 1.421 632 I CB -0.700 37.392 38.000 0.154 0.000 1.079 632 I HN -0.047 nan 8.210 nan 0.000 0.431 633 K N 1.073 121.509 120.400 0.059 0.000 2.098 633 K HA -0.076 4.244 4.320 -0.000 0.000 0.203 633 K C 1.889 178.515 176.600 0.043 0.000 1.051 633 K CA 0.850 57.168 56.287 0.052 0.000 0.957 633 K CB -0.010 32.509 32.500 0.032 0.000 0.738 633 K HN 0.348 nan 8.250 nan 0.000 0.447 634 E N 0.124 120.339 120.200 0.024 0.000 2.130 634 E HA -0.138 4.212 4.350 -0.000 0.000 0.196 634 E C 0.460 177.088 176.600 0.045 0.000 0.998 634 E CA 0.874 57.287 56.400 0.021 0.000 0.806 634 E CB -0.015 29.682 29.700 -0.004 0.000 0.738 634 E HN 0.262 nan 8.360 nan 0.000 0.459 635 M N -0.378 119.261 119.600 0.065 0.000 2.274 635 M HA 0.142 4.622 4.480 -0.000 0.000 0.344 635 M C 1.355 177.721 176.300 0.111 0.000 1.161 635 M CA -0.142 55.222 55.300 0.106 0.000 1.126 635 M CB 1.250 33.946 32.600 0.159 0.000 1.522 635 M HN 0.000 nan 8.290 nan 0.000 0.461 636 G N 2.837 111.702 108.800 0.109 0.000 2.564 636 G HA2 -0.025 3.934 3.960 -0.000 0.000 0.216 636 G HA3 -0.025 3.934 3.960 -0.000 0.000 0.216 636 G C 0.621 175.602 174.900 0.136 0.000 1.124 636 G CA 0.013 45.176 45.100 0.106 0.000 0.764 636 G HN 0.590 nan 8.290 nan 0.000 0.550 637 L N 1.084 122.406 121.223 0.165 0.000 2.615 637 L HA -0.029 4.311 4.340 -0.000 0.000 0.284 637 L C 1.836 178.827 176.870 0.201 0.000 1.237 637 L CA 0.044 55.005 54.840 0.202 0.000 0.905 637 L CB 0.734 42.942 42.059 0.248 0.000 1.149 637 L HN 0.178 nan 8.230 nan 0.000 0.499 638 S N 3.300 119.155 115.700 0.258 0.000 2.470 638 S HA -0.003 4.467 4.470 -0.000 0.000 0.222 638 S C 1.376 176.113 174.600 0.229 0.000 1.024 638 S CA 0.244 58.577 58.200 0.222 0.000 0.931 638 S CB -0.140 63.206 63.200 0.244 0.000 0.791 638 S HN 0.634 nan 8.310 nan 0.000 0.513 639 L N 0.975 122.381 121.223 0.305 0.000 4.312 639 L HA -0.299 4.041 4.340 -0.000 0.000 0.427 639 L C 1.161 178.266 176.870 0.393 0.000 1.149 639 L CA 1.562 56.590 54.840 0.313 0.000 0.978 639 L CB -1.072 41.160 42.059 0.288 0.000 1.963 639 L HN 0.504 nan 8.230 nan 0.000 0.970 640 Q N -0.854 119.112 119.800 0.276 0.000 2.163 640 Q HA -0.101 4.239 4.340 -0.000 0.000 0.198 640 Q C 1.714 177.804 176.000 0.149 0.000 0.954 640 Q CA 1.984 57.858 55.803 0.119 0.000 0.851 640 Q CB -0.234 28.440 28.738 -0.106 0.000 0.928 640 Q HN 0.689 nan 8.270 nan 0.000 0.459 641 W N 0.157 121.556 121.300 0.165 0.000 2.392 641 W HA -0.141 4.519 4.660 -0.000 0.000 0.279 641 W C 1.736 178.178 176.519 -0.128 0.000 1.225 641 W CA 0.801 58.136 57.345 -0.016 0.000 1.233 641 W CB -0.359 29.045 29.460 -0.095 0.000 1.122 641 W HN 0.338 nan 8.180 nan 0.000 0.561 642 L N -0.185 121.148 121.223 0.185 0.000 2.027 642 L HA -0.196 4.144 4.340 -0.000 0.000 0.206 642 L C 2.173 179.062 176.870 0.031 0.000 1.074 642 L CA 1.940 56.808 54.840 0.047 0.000 0.745 642 L CB -1.457 40.603 42.059 0.002 0.000 0.898 642 L HN -0.135 nan 8.230 nan 0.000 0.433 643 Y N -0.183 120.104 120.300 -0.022 0.000 2.165 643 Y HA -0.219 4.331 4.550 -0.000 0.000 0.286 643 Y C 2.784 178.638 175.900 -0.077 0.000 1.155 643 Y CA 1.634 59.714 58.100 -0.035 0.000 1.164 643 Y CB -1.135 37.293 38.460 -0.054 0.000 0.978 643 Y HN 0.206 nan 8.280 nan 0.000 0.513 644 S N 0.002 115.694 115.700 -0.014 0.000 2.359 644 S HA -0.288 4.182 4.470 -0.000 0.000 0.224 644 S C 2.380 176.944 174.600 -0.061 0.000 1.035 644 S CA 1.182 59.263 58.200 -0.197 0.000 1.018 644 S CB -0.872 61.966 63.200 -0.603 0.000 0.876 644 S HN 0.538 nan 8.310 nan 0.000 0.448 645 A N 2.363 125.164 122.820 -0.032 0.000 1.851 645 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 645 A C 2.049 179.718 177.584 0.142 0.000 1.195 645 A CA 2.215 54.275 52.037 0.039 0.000 0.622 645 A CB -0.819 18.175 19.000 -0.010 0.000 0.831 645 A HN 0.462 nan 8.150 nan 0.000 0.444 646 R N 0.010 120.588 120.500 0.130 0.000 2.133 646 R HA -0.125 4.215 4.340 -0.000 0.000 0.247 646 R C 1.923 178.409 176.300 0.310 0.000 1.151 646 R CA 2.474 58.700 56.100 0.209 0.000 0.971 646 R CB -1.138 29.242 30.300 0.134 0.000 0.866 646 R HN 0.401 nan 8.270 nan 0.000 0.447 647 G N -0.614 108.311 108.800 0.209 0.000 2.408 647 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.213 647 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.213 647 G C 0.941 175.971 174.900 0.218 0.000 1.177 647 G CA 0.541 45.760 45.100 0.198 0.000 0.802 647 G HN 0.367 nan 8.290 nan 0.000 0.533 648 D N -0.507 119.983 120.400 0.151 0.000 2.271 648 D HA -0.108 4.532 4.640 -0.000 0.000 0.207 648 D C 1.744 178.153 176.300 0.181 0.000 0.983 648 D CA 0.572 54.650 54.000 0.129 0.000 0.878 648 D CB -0.124 40.733 40.800 0.095 0.000 0.920 648 D HN 0.307 nan 8.370 nan 0.000 0.479 649 F N -0.964 119.061 119.950 0.126 0.000 2.317 649 F HA 0.049 4.576 4.527 -0.000 0.000 0.293 649 F C 1.825 177.731 175.800 0.178 0.000 1.085 649 F CA 0.424 58.499 58.000 0.126 0.000 1.390 649 F CB -0.242 38.849 39.000 0.153 0.000 1.077 649 F HN -0.100 nan 8.300 nan 0.000 0.517 650 F N 1.357 121.455 119.950 0.246 0.000 2.069 650 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 650 F C 2.595 178.410 175.800 0.025 0.000 1.113 650 F CA 1.886 59.987 58.000 0.167 0.000 1.214 650 F CB -0.346 38.761 39.000 0.178 0.000 0.978 650 F HN -0.212 nan 8.300 nan 0.000 0.474 651 R N 0.145 120.834 120.500 0.315 0.000 2.094 651 R HA -0.239 4.101 4.340 -0.000 0.000 0.239 651 R C 2.440 178.748 176.300 0.013 0.000 1.137 651 R CA 1.373 57.575 56.100 0.169 0.000 0.943 651 R CB -1.136 29.228 30.300 0.106 0.000 0.850 651 R HN 0.421 nan 8.270 nan 0.000 0.433 652 A N 0.915 123.677 122.820 -0.096 0.000 1.896 652 A HA -0.293 4.027 4.320 -0.000 0.000 0.220 652 A C 2.343 179.763 177.584 -0.273 0.000 1.206 652 A CA 2.732 54.630 52.037 -0.232 0.000 0.647 652 A CB -1.347 17.418 19.000 -0.391 0.000 0.828 652 A HN 0.623 nan 8.150 nan 0.000 0.455 653 T N -3.413 110.941 114.554 -0.334 0.000 2.867 653 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 653 T C 2.009 176.711 174.700 0.003 0.000 1.057 653 T CA 1.913 63.906 62.100 -0.178 0.000 1.136 653 T CB -0.579 68.219 68.868 -0.117 0.000 0.874 653 T HN 0.464 nan 8.240 nan 0.000 0.466 654 S N 0.794 116.494 115.700 -0.000 0.000 2.402 654 S HA -0.048 4.422 4.470 -0.000 0.000 0.229 654 S C 2.303 176.939 174.600 0.060 0.000 1.021 654 S CA 0.554 58.802 58.200 0.079 0.000 0.974 654 S CB -0.360 62.938 63.200 0.162 0.000 0.800 654 S HN 0.575 nan 8.310 nan 0.000 0.484 655 R N 0.046 120.547 120.500 0.003 0.000 2.055 655 R HA 0.033 4.373 4.340 -0.000 0.000 0.228 655 R C 2.377 178.649 176.300 -0.047 0.000 1.143 655 R CA 1.383 57.469 56.100 -0.023 0.000 0.945 655 R CB -0.892 29.372 30.300 -0.059 0.000 0.841 655 R HN 0.412 nan 8.270 nan 0.000 0.429 656 L N 1.008 122.161 121.223 -0.116 0.000 1.997 656 L HA -0.227 4.113 4.340 -0.000 0.000 0.216 656 L C 2.265 179.173 176.870 0.064 0.000 1.074 656 L CA 2.217 56.944 54.840 -0.188 0.000 0.763 656 L CB -1.119 40.699 42.059 -0.402 0.000 0.890 656 L HN 0.128 nan 8.230 nan 0.000 0.434 657 T N -2.072 112.621 114.554 0.232 0.000 2.946 657 T HA -0.147 4.203 4.350 -0.000 0.000 0.271 657 T C 1.560 176.403 174.700 0.238 0.000 1.104 657 T CA 1.824 64.146 62.100 0.371 0.000 1.114 657 T CB -0.256 68.784 68.868 0.287 0.000 0.867 657 T HN 0.623 nan 8.240 nan 0.000 0.513 658 T N 0.753 115.390 114.554 0.137 0.000 2.904 658 T HA -0.001 4.349 4.350 -0.000 0.000 0.243 658 T C 1.619 176.367 174.700 0.080 0.000 1.024 658 T CA 0.698 62.856 62.100 0.097 0.000 1.158 658 T CB -0.401 68.501 68.868 0.058 0.000 0.867 658 T HN 0.292 nan 8.240 nan 0.000 0.429 659 D N 0.910 121.314 120.400 0.006 0.000 2.170 659 D HA -0.128 4.512 4.640 -0.000 0.000 0.193 659 D C 1.752 178.042 176.300 -0.018 0.000 1.004 659 D CA 1.226 55.193 54.000 -0.056 0.000 0.860 659 D CB -0.426 40.270 40.800 -0.174 0.000 0.931 659 D HN 0.352 nan 8.370 nan 0.000 0.448 660 F N 1.046 121.002 119.950 0.010 0.000 2.046 660 F HA -0.173 4.354 4.527 -0.000 0.000 0.297 660 F C 2.730 178.542 175.800 0.021 0.000 1.123 660 F CA 1.378 59.389 58.000 0.017 0.000 1.199 660 F CB -0.554 38.471 39.000 0.042 0.000 0.972 660 F HN 0.032 nan 8.300 nan 0.000 0.474 661 G N -0.149 108.801 108.800 0.250 0.000 2.469 661 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.219 661 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.219 661 G C 1.356 176.317 174.900 0.102 0.000 1.150 661 G CA 1.279 46.463 45.100 0.140 0.000 0.763 661 G HN 0.293 nan 8.290 nan 0.000 0.561 662 N N 1.103 119.855 118.700 0.087 0.000 2.494 662 N HA 0.124 4.864 4.740 -0.000 0.000 0.182 662 N C 1.012 176.556 175.510 0.057 0.000 1.076 662 N CA 0.672 53.757 53.050 0.059 0.000 0.908 662 N CB 0.071 38.582 38.487 0.040 0.000 0.967 662 N HN 0.381 nan 8.380 nan 0.000 0.449 663 A N 1.149 124.015 122.820 0.075 0.000 2.302 663 A HA 0.410 4.729 4.320 -0.000 0.000 0.285 663 A C -0.287 177.350 177.584 0.087 0.000 1.105 663 A CA -0.493 51.587 52.037 0.073 0.000 0.816 663 A CB 0.492 19.532 19.000 0.066 0.000 1.067 663 A HN 0.072 nan 8.150 nan 0.000 0.489 664 E N 0.925 121.170 120.200 0.074 0.000 2.216 664 E HA 0.367 4.717 4.350 -0.000 0.000 0.279 664 E C -0.513 176.131 176.600 0.073 0.000 0.997 664 E CA -0.564 55.877 56.400 0.068 0.000 0.817 664 E CB 0.902 30.634 29.700 0.055 0.000 1.096 664 E HN 0.514 nan 8.360 nan 0.000 0.393 665 K N 1.185 121.625 120.400 0.067 0.000 2.699 665 K HA -0.010 4.310 4.320 -0.000 0.000 0.205 665 K C 0.212 176.843 176.600 0.053 0.000 1.008 665 K CA 0.596 56.919 56.287 0.059 0.000 1.100 665 K CB -0.186 32.340 32.500 0.042 0.000 0.878 665 K HN 0.444 nan 8.250 nan 0.000 0.496 666 T N -0.548 114.040 114.554 0.056 0.000 2.955 666 T HA -0.041 4.309 4.350 -0.000 0.000 0.251 666 T C 0.261 174.997 174.700 0.059 0.000 1.002 666 T CA -0.126 62.005 62.100 0.051 0.000 0.970 666 T CB 0.292 69.187 68.868 0.045 0.000 1.091 666 T HN 0.141 nan 8.240 nan 0.000 0.495 667 D N 2.365 122.808 120.400 0.071 0.000 2.517 667 D HA 0.122 4.761 4.640 -0.000 0.000 0.220 667 D C 1.354 177.724 176.300 0.116 0.000 1.158 667 D CA -0.166 53.890 54.000 0.094 0.000 0.992 667 D CB 0.134 40.996 40.800 0.104 0.000 1.058 667 D HN 0.097 nan 8.370 nan 0.000 0.516 668 R N 2.021 122.581 120.500 0.099 0.000 2.174 668 R HA -0.248 4.092 4.340 -0.000 0.000 0.253 668 R C 1.578 177.938 176.300 0.100 0.000 1.165 668 R CA 1.319 57.468 56.100 0.083 0.000 0.984 668 R CB -0.198 30.144 30.300 0.071 0.000 0.873 668 R HN 0.442 nan 8.270 nan 0.000 0.456 669 F N 0.504 120.450 119.950 -0.006 0.000 2.074 669 F HA -0.186 4.341 4.527 -0.000 0.000 0.293 669 F C 2.190 177.977 175.800 -0.023 0.000 1.116 669 F CA 1.696 59.686 58.000 -0.015 0.000 1.212 669 F CB -0.611 38.379 39.000 -0.017 0.000 0.998 669 F HN -0.116 nan 8.300 nan 0.000 0.471 670 V N -1.140 118.959 119.914 0.308 0.000 2.594 670 V HA -0.245 3.875 4.120 -0.000 0.000 0.253 670 V C 2.150 178.218 176.094 -0.044 0.000 1.069 670 V CA 1.654 64.029 62.300 0.126 0.000 1.082 670 V CB -0.838 31.078 31.823 0.155 0.000 0.680 670 V HN 0.409 nan 8.190 nan 0.000 0.469 671 M N 0.092 119.694 119.600 0.002 0.000 2.156 671 M HA -0.000 4.479 4.480 -0.000 0.000 0.264 671 M C 2.289 178.568 176.300 -0.036 0.000 1.067 671 M CA 1.749 57.061 55.300 0.020 0.000 1.131 671 M CB -1.138 31.509 32.600 0.077 0.000 1.368 671 M HN 0.410 nan 8.290 nan 0.000 0.416 672 K N 0.993 121.341 120.400 -0.086 0.000 2.063 672 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 672 K C 1.942 178.439 176.600 -0.171 0.000 1.048 672 K CA 1.422 57.642 56.287 -0.112 0.000 0.928 672 K CB -0.259 32.142 32.500 -0.165 0.000 0.713 672 K HN 0.274 nan 8.250 nan 0.000 0.442 673 K N 0.603 120.821 120.400 -0.305 0.000 2.209 673 K HA -0.094 4.226 4.320 -0.000 0.000 0.204 673 K C 2.173 178.624 176.600 -0.249 0.000 1.048 673 K CA 0.836 56.936 56.287 -0.312 0.000 0.940 673 K CB 0.063 32.325 32.500 -0.396 0.000 0.729 673 K HN 0.121 nan 8.250 nan 0.000 0.451 674 L N 0.372 121.433 121.223 -0.271 0.000 2.071 674 L HA -0.099 4.241 4.340 -0.000 0.000 0.201 674 L C 2.077 178.815 176.870 -0.220 0.000 1.076 674 L CA 0.631 55.214 54.840 -0.427 0.000 0.755 674 L CB -0.714 40.827 42.059 -0.864 0.000 0.915 674 L HN 0.154 nan 8.230 nan 0.000 0.445 675 N N 0.456 119.153 118.700 -0.005 0.000 2.184 675 N HA -0.224 4.516 4.740 -0.000 0.000 0.190 675 N C 1.369 176.890 175.510 0.018 0.000 1.011 675 N CA 1.548 54.662 53.050 0.107 0.000 0.867 675 N CB -0.362 38.184 38.487 0.098 0.000 0.993 675 N HN 0.364 nan 8.380 nan 0.000 0.433 676 D N 0.672 121.069 120.400 -0.004 0.000 2.144 676 D HA -0.083 4.557 4.640 -0.000 0.000 0.199 676 D C 1.998 178.281 176.300 -0.027 0.000 0.984 676 D CA 0.659 54.661 54.000 0.004 0.000 0.834 676 D CB 0.024 40.823 40.800 -0.002 0.000 0.955 676 D HN 0.324 nan 8.370 nan 0.000 0.465 677 R N 0.590 121.035 120.500 -0.092 0.000 2.081 677 R HA -0.070 4.270 4.340 -0.000 0.000 0.235 677 R C 2.480 178.724 176.300 -0.093 0.000 1.131 677 R CA 0.619 56.644 56.100 -0.125 0.000 0.960 677 R CB -0.732 29.429 30.300 -0.230 0.000 0.856 677 R HN 0.125 nan 8.270 nan 0.000 0.436 678 V N 1.619 121.491 119.914 -0.071 0.000 2.332 678 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 678 V C 2.406 178.548 176.094 0.080 0.000 1.055 678 V CA 1.745 64.052 62.300 0.012 0.000 1.038 678 V CB -0.443 31.470 31.823 0.151 0.000 0.651 678 V HN 0.303 nan 8.190 nan 0.000 0.450 679 M N -0.863 118.766 119.600 0.048 0.000 2.539 679 M HA -0.120 4.359 4.480 -0.000 0.000 0.261 679 M C 2.199 178.575 176.300 0.127 0.000 1.069 679 M CA 1.449 56.792 55.300 0.072 0.000 1.081 679 M CB -0.110 32.472 32.600 -0.030 0.000 1.412 679 M HN 0.259 nan 8.290 nan 0.000 0.482 680 R N -1.504 119.068 120.500 0.121 0.000 2.140 680 R HA 0.024 4.364 4.340 -0.000 0.000 0.213 680 R C 1.955 178.383 176.300 0.213 0.000 1.059 680 R CA 0.713 56.927 56.100 0.189 0.000 1.000 680 R CB -0.349 30.104 30.300 0.255 0.000 0.910 680 R HN 0.208 nan 8.270 nan 0.000 0.455 681 V N 1.952 121.962 119.914 0.159 0.000 2.226 681 V HA -0.364 3.756 4.120 -0.000 0.000 0.254 681 V C 2.307 178.502 176.094 0.167 0.000 1.065 681 V CA 2.467 64.869 62.300 0.169 0.000 1.039 681 V CB -0.565 31.408 31.823 0.249 0.000 0.653 681 V HN 0.323 nan 8.190 nan 0.000 0.450 682 E N -0.749 119.585 120.200 0.223 0.000 2.031 682 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 682 E C 2.084 178.824 176.600 0.234 0.000 0.994 682 E CA 1.870 58.437 56.400 0.277 0.000 0.800 682 E CB -0.575 29.317 29.700 0.320 0.000 0.752 682 E HN 0.673 nan 8.360 nan 0.000 0.447 683 Y N 0.654 120.945 120.300 -0.015 0.000 2.165 683 Y HA -0.255 4.295 4.550 -0.000 0.000 0.286 683 Y C 2.028 177.754 175.900 -0.289 0.000 1.155 683 Y CA 2.286 60.253 58.100 -0.221 0.000 1.164 683 Y CB -0.403 37.654 38.460 -0.670 0.000 0.978 683 Y HN 0.268 nan 8.280 nan 0.000 0.513 684 H N -1.055 117.814 119.070 -0.334 0.000 2.568 684 H HA -0.081 4.475 4.556 -0.000 0.000 0.281 684 H C 0.677 175.651 175.328 -0.590 0.000 1.028 684 H CA 1.011 56.770 56.048 -0.482 0.000 1.199 684 H CB -0.604 28.948 29.762 -0.351 0.000 1.352 684 H HN 0.423 nan 8.280 nan 0.000 0.605 685 F N 0.274 120.028 119.950 -0.327 0.000 2.639 685 F HA 0.182 4.709 4.527 -0.000 0.000 0.300 685 F C 0.483 175.974 175.800 -0.516 0.000 1.109 685 F CA -0.128 57.607 58.000 -0.442 0.000 1.335 685 F CB 0.489 39.085 39.000 -0.673 0.000 1.014 685 F HN -0.090 nan 8.300 nan 0.000 0.537 686 L N 0.358 121.394 121.223 -0.311 0.000 2.257 686 L HA 0.226 4.566 4.340 -0.000 0.000 0.290 686 L C 0.802 177.560 176.870 -0.187 0.000 1.044 686 L CA -0.692 54.006 54.840 -0.238 0.000 0.810 686 L CB 1.234 43.073 42.059 -0.367 0.000 1.193 686 L HN -0.093 nan 8.230 nan 0.000 0.425 687 S N 5.962 121.643 115.700 -0.031 0.000 2.887 687 S HA 0.038 4.508 4.470 -0.000 0.000 0.337 687 S C -1.319 173.243 174.600 -0.063 0.000 1.209 687 S CA -0.868 57.356 58.200 0.039 0.000 1.186 687 S CB 0.246 63.536 63.200 0.150 0.000 0.925 687 S HN 0.451 nan 8.310 nan 0.000 0.522 688 P HA 0.112 nan 4.420 nan 0.000 0.253 688 P C -0.531 176.448 177.300 -0.536 0.000 1.508 688 P CA 0.206 63.094 63.100 -0.353 0.000 0.883 688 P CB -0.363 31.087 31.700 -0.417 0.000 1.519 689 Y N -0.520 119.742 120.300 -0.062 0.000 2.588 689 Y HA 0.168 4.718 4.550 -0.000 0.000 0.247 689 Y C 1.041 176.899 175.900 -0.071 0.000 1.157 689 Y CA -0.516 57.553 58.100 -0.051 0.000 1.215 689 Y CB 0.862 39.306 38.460 -0.026 0.000 1.245 689 Y HN -0.185 nan 8.280 nan 0.000 0.534 690 V N -2.403 117.498 119.914 -0.021 0.000 2.656 690 V HA 0.602 4.722 4.120 -0.000 0.000 0.307 690 V C -0.030 176.002 176.094 -0.103 0.000 1.051 690 V CA -1.199 61.044 62.300 -0.094 0.000 0.893 690 V CB 1.766 33.426 31.823 -0.272 0.000 0.999 690 V HN -0.003 nan 8.190 nan 0.000 0.426 691 S N 4.278 119.939 115.700 -0.065 0.000 2.528 691 S HA 0.432 4.902 4.470 -0.000 0.000 0.277 691 S C -1.319 173.266 174.600 -0.025 0.000 1.297 691 S CA -0.892 57.285 58.200 -0.038 0.000 1.052 691 S CB 1.241 64.436 63.200 -0.009 0.000 0.917 691 S HN 0.764 nan 8.310 nan 0.000 0.492 692 P HA -0.126 nan 4.420 nan 0.000 0.217 692 P C 1.322 178.668 177.300 0.077 0.000 1.148 692 P CA 0.946 64.086 63.100 0.067 0.000 0.828 692 P CB 0.141 31.918 31.700 0.127 0.000 0.783 693 K N -0.306 120.156 120.400 0.103 0.000 2.147 693 K HA -0.171 4.149 4.320 -0.000 0.000 0.205 693 K C 1.520 178.175 176.600 0.091 0.000 1.049 693 K CA 1.290 57.671 56.287 0.157 0.000 0.936 693 K CB 0.035 32.648 32.500 0.188 0.000 0.722 693 K HN 0.079 nan 8.250 nan 0.000 0.446 694 E N -0.146 120.080 120.200 0.043 0.000 2.079 694 E HA 0.046 4.396 4.350 -0.000 0.000 0.191 694 E C 0.222 176.820 176.600 -0.004 0.000 0.961 694 E CA 0.527 56.942 56.400 0.025 0.000 0.823 694 E CB 0.379 30.089 29.700 0.016 0.000 0.789 694 E HN -0.050 nan 8.360 nan 0.000 0.459 695 S N 2.784 118.460 115.700 -0.041 0.000 2.399 695 S HA 0.195 4.665 4.470 -0.000 0.000 0.215 695 S C -1.955 172.589 174.600 -0.095 0.000 1.456 695 S CA -1.036 57.133 58.200 -0.053 0.000 1.199 695 S CB 1.827 64.979 63.200 -0.081 0.000 1.063 695 S HN 0.013 nan 8.310 nan 0.000 0.476 696 P HA -0.119 nan 4.420 nan 0.000 0.217 696 P C 0.075 177.307 177.300 -0.113 0.000 1.148 696 P CA 1.049 64.024 63.100 -0.209 0.000 0.828 696 P CB -0.105 31.225 31.700 -0.616 0.000 0.783 697 F N 0.418 120.493 119.950 0.208 0.000 2.541 697 F HA 0.325 4.852 4.527 -0.000 0.000 0.351 697 F C 1.847 177.865 175.800 0.363 0.000 1.209 697 F CA -0.757 57.377 58.000 0.223 0.000 1.277 697 F CB 0.082 39.219 39.000 0.229 0.000 1.632 697 F HN -0.288 nan 8.300 nan 0.000 0.619 698 R N -0.834 119.872 120.500 0.344 0.000 2.235 698 R HA -0.097 4.243 4.340 -0.000 0.000 0.213 698 R C 0.351 176.861 176.300 0.350 0.000 1.059 698 R CA 0.185 56.441 56.100 0.259 0.000 0.997 698 R CB -0.334 29.958 30.300 -0.013 0.000 0.884 698 R HN 0.432 nan 8.270 nan 0.000 0.462 699 H N 1.264 120.462 119.070 0.213 0.000 3.217 699 H HA -0.052 4.504 4.556 -0.000 0.000 0.272 699 H C 1.569 176.939 175.328 0.070 0.000 0.929 699 H CA -0.100 56.029 56.048 0.134 0.000 1.425 699 H CB 0.698 30.554 29.762 0.156 0.000 1.505 699 H HN -0.037 nan 8.280 nan 0.000 0.542 700 V N 2.754 122.575 119.914 -0.155 0.000 2.453 700 V HA -0.293 3.827 4.120 -0.000 0.000 0.252 700 V C 1.641 177.500 176.094 -0.391 0.000 1.068 700 V CA 1.713 63.869 62.300 -0.240 0.000 1.070 700 V CB -0.925 30.738 31.823 -0.266 0.000 0.664 700 V HN 0.537 nan 8.190 nan 0.000 0.461 701 F N -0.384 119.244 119.950 -0.536 0.000 2.220 701 F HA 0.242 4.769 4.527 -0.000 0.000 0.290 701 F C 1.929 177.358 175.800 -0.618 0.000 1.080 701 F CA 1.175 58.662 58.000 -0.855 0.000 1.318 701 F CB -0.348 37.696 39.000 -1.593 0.000 1.063 701 F HN 0.201 nan 8.300 nan 0.000 0.498 702 W N -0.483 121.132 121.300 0.526 0.000 3.008 702 W HA 0.419 5.079 4.660 -0.000 0.000 0.355 702 W C 1.577 178.242 176.519 0.244 0.000 1.095 702 W CA -0.076 57.421 57.345 0.254 0.000 1.738 702 W CB -0.718 28.803 29.460 0.102 0.000 1.091 702 W HN -0.095 nan 8.180 nan 0.000 0.574 703 G N 1.165 110.193 108.800 0.381 0.000 2.441 703 G HA2 0.342 4.302 3.960 -0.000 0.000 0.258 703 G HA3 0.342 4.302 3.960 -0.000 0.000 0.258 703 G C -0.308 174.766 174.900 0.291 0.000 1.487 703 G CA 0.061 45.381 45.100 0.366 0.000 1.058 703 G HN -0.027 nan 8.290 nan 0.000 0.552 704 S N -1.497 114.389 115.700 0.310 0.000 2.626 704 S HA 0.693 5.163 4.470 -0.000 0.000 0.275 704 S C -0.064 174.680 174.600 0.240 0.000 1.175 704 S CA 0.106 58.439 58.200 0.222 0.000 0.982 704 S CB 1.516 64.905 63.200 0.315 0.000 1.093 704 S HN 1.911 nan 8.310 nan 0.000 0.472 705 G N 1.259 110.092 108.800 0.054 0.000 2.368 705 G HA2 0.251 4.211 3.960 -0.000 0.000 0.302 705 G HA3 0.251 4.211 3.960 -0.000 0.000 0.302 705 G C 0.406 175.311 174.900 0.008 0.000 1.329 705 G CA -0.007 45.188 45.100 0.160 0.000 0.935 705 G HN 1.020 nan 8.290 nan 0.000 0.590 706 S N -0.498 115.288 115.700 0.142 0.000 2.481 706 S HA -0.084 4.386 4.470 -0.000 0.000 0.231 706 S C 1.796 176.413 174.600 0.029 0.000 0.996 706 S CA 1.803 60.040 58.200 0.061 0.000 0.942 706 S CB -0.532 62.712 63.200 0.074 0.000 0.768 706 S HN 1.150 nan 8.310 nan 0.000 0.520 707 H N 0.520 119.588 119.070 -0.003 0.000 2.529 707 H HA 0.140 4.696 4.556 -0.000 0.000 0.277 707 H C 0.238 175.523 175.328 -0.070 0.000 0.999 707 H CA 0.759 56.790 56.048 -0.027 0.000 1.256 707 H CB -1.563 28.202 29.762 0.005 0.000 1.402 707 H HN 0.194 nan 8.280 nan 0.000 0.566 708 T N 2.543 116.733 114.554 -0.607 0.000 2.933 708 T HA -0.025 4.325 4.350 -0.000 0.000 0.306 708 T C 1.494 175.991 174.700 -0.339 0.000 1.045 708 T CA -0.173 61.655 62.100 -0.453 0.000 1.143 708 T CB 0.693 69.364 68.868 -0.329 0.000 1.003 708 T HN 0.084 nan 8.240 nan 0.000 0.540 709 L N 6.407 127.354 121.223 -0.461 0.000 2.005 709 L HA 0.077 4.417 4.340 -0.000 0.000 0.207 709 L C -0.646 176.023 176.870 -0.335 0.000 1.072 709 L CA 1.721 56.197 54.840 -0.605 0.000 0.744 709 L CB -1.410 39.970 42.059 -1.131 0.000 0.895 709 L HN 0.513 nan 8.230 nan 0.000 0.433 710 P HA -0.176 nan 4.420 nan 0.000 0.216 710 P C 1.506 178.776 177.300 -0.051 0.000 1.150 710 P CA 1.889 64.930 63.100 -0.097 0.000 0.843 710 P CB -0.113 31.546 31.700 -0.068 0.000 0.787 711 A N -0.739 122.032 122.820 -0.082 0.000 1.978 711 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 711 A C 2.169 179.757 177.584 0.006 0.000 1.170 711 A CA 1.339 53.351 52.037 -0.041 0.000 0.636 711 A CB -1.650 17.308 19.000 -0.071 0.000 0.810 711 A HN 0.201 nan 8.150 nan 0.000 0.448 712 L N -0.458 120.770 121.223 0.008 0.000 1.976 712 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 712 L C 2.457 179.415 176.870 0.148 0.000 1.071 712 L CA 1.715 56.620 54.840 0.109 0.000 0.746 712 L CB -0.329 41.794 42.059 0.106 0.000 0.890 712 L HN 0.429 nan 8.230 nan 0.000 0.432 713 L N -0.189 121.083 121.223 0.081 0.000 2.012 713 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 713 L C 2.595 179.409 176.870 -0.094 0.000 1.073 713 L CA 1.489 56.282 54.840 -0.079 0.000 0.748 713 L CB -0.770 41.261 42.059 -0.047 0.000 0.891 713 L HN 0.328 nan 8.230 nan 0.000 0.431 714 E N 0.481 120.674 120.200 -0.013 0.000 2.233 714 E HA -0.261 4.089 4.350 -0.000 0.000 0.199 714 E C 1.760 178.377 176.600 0.030 0.000 1.004 714 E CA 1.449 57.852 56.400 0.005 0.000 0.819 714 E CB -0.147 29.561 29.700 0.014 0.000 0.738 714 E HN 0.401 nan 8.360 nan 0.000 0.478 715 N N -1.076 117.666 118.700 0.070 0.000 2.305 715 N HA -0.051 4.689 4.740 -0.000 0.000 0.179 715 N C 1.495 177.122 175.510 0.195 0.000 1.019 715 N CA 0.551 53.693 53.050 0.154 0.000 0.869 715 N CB -0.247 38.358 38.487 0.196 0.000 1.000 715 N HN 0.185 nan 8.380 nan 0.000 0.431 716 L N 1.462 122.698 121.223 0.022 0.000 2.083 716 L HA -0.020 4.320 4.340 -0.000 0.000 0.209 716 L C 1.836 178.490 176.870 -0.361 0.000 1.083 716 L CA 1.612 56.252 54.840 -0.334 0.000 0.752 716 L CB -0.458 41.257 42.059 -0.572 0.000 0.899 716 L HN 0.108 nan 8.230 nan 0.000 0.433 717 K N -0.654 119.606 120.400 -0.233 0.000 2.113 717 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 717 K C 1.924 178.508 176.600 -0.025 0.000 1.047 717 K CA 1.683 57.952 56.287 -0.031 0.000 0.928 717 K CB -0.439 32.082 32.500 0.035 0.000 0.716 717 K HN 0.383 nan 8.250 nan 0.000 0.446 718 L N 0.560 121.772 121.223 -0.019 0.000 2.353 718 L HA -0.121 4.219 4.340 -0.000 0.000 0.220 718 L C 2.419 179.246 176.870 -0.072 0.000 1.133 718 L CA 0.420 55.271 54.840 0.018 0.000 0.798 718 L CB -0.443 41.690 42.059 0.124 0.000 0.922 718 L HN 0.100 nan 8.230 nan 0.000 0.445 719 R N 1.509 121.802 120.500 -0.345 0.000 2.096 719 R HA -0.182 4.158 4.340 -0.000 0.000 0.240 719 R C 2.113 178.258 176.300 -0.258 0.000 1.139 719 R CA 1.726 57.460 56.100 -0.610 0.000 0.952 719 R CB -0.297 29.411 30.300 -0.987 0.000 0.854 719 R HN 0.252 nan 8.270 nan 0.000 0.436 720 K N 0.080 120.384 120.400 -0.160 0.000 2.152 720 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 720 K C 2.021 178.593 176.600 -0.047 0.000 1.048 720 K CA 1.614 57.852 56.287 -0.083 0.000 0.933 720 K CB -0.130 32.344 32.500 -0.044 0.000 0.721 720 K HN 0.378 nan 8.250 nan 0.000 0.447 721 Q N 0.939 120.721 119.800 -0.029 0.000 2.576 721 Q HA -0.164 4.176 4.340 -0.000 0.000 0.218 721 Q C 0.227 176.229 176.000 0.003 0.000 0.983 721 Q CA 0.893 56.695 55.803 -0.002 0.000 0.920 721 Q CB -0.550 28.198 28.738 0.017 0.000 0.973 721 Q HN 0.490 nan 8.270 nan 0.000 0.528 722 N N -0.534 118.160 118.700 -0.010 0.000 2.707 722 N HA -0.356 4.384 4.740 -0.000 0.000 0.245 722 N C -0.347 175.178 175.510 0.026 0.000 1.103 722 N CA 1.898 54.949 53.050 0.002 0.000 0.882 722 N CB -2.056 36.431 38.487 -0.000 0.000 1.160 722 N HN 0.666 nan 8.380 nan 0.000 0.587 723 N N -2.153 116.569 118.700 0.037 0.000 2.431 723 N HA 0.419 5.158 4.740 -0.000 0.000 0.289 723 N C 1.370 176.923 175.510 0.073 0.000 1.277 723 N CA -0.545 52.533 53.050 0.047 0.000 0.972 723 N CB 0.299 38.811 38.487 0.042 0.000 1.143 723 N HN 0.130 nan 8.380 nan 0.000 0.578 724 G N -1.721 107.118 108.800 0.065 0.000 2.880 724 G HA2 0.055 4.015 3.960 -0.000 0.000 0.209 724 G HA3 0.055 4.015 3.960 -0.000 0.000 0.209 724 G C 1.378 176.327 174.900 0.081 0.000 1.157 724 G CA 0.328 45.471 45.100 0.071 0.000 0.779 724 G HN 0.711 nan 8.290 nan 0.000 0.539 725 A N 0.529 123.401 122.820 0.086 0.000 2.042 725 A HA -0.051 4.269 4.320 -0.000 0.000 0.222 725 A C 0.999 178.660 177.584 0.129 0.000 1.167 725 A CA 0.477 52.566 52.037 0.087 0.000 0.649 725 A CB -0.462 18.587 19.000 0.081 0.000 0.809 725 A HN 0.434 nan 8.150 nan 0.000 0.457 726 F N 1.242 121.188 119.950 -0.006 0.000 2.421 726 F HA 0.424 4.951 4.527 -0.000 0.000 0.358 726 F C 0.039 175.841 175.800 0.002 0.000 1.115 726 F CA -1.753 56.237 58.000 -0.016 0.000 1.160 726 F CB 0.338 39.310 39.000 -0.046 0.000 1.123 726 F HN 0.109 nan 8.300 nan 0.000 0.508 727 N N 5.654 124.027 118.700 -0.546 0.000 2.437 727 N HA 0.026 4.766 4.740 -0.000 0.000 0.243 727 N C 0.826 175.805 175.510 -0.884 0.000 1.041 727 N CA 0.148 52.906 53.050 -0.487 0.000 0.940 727 N CB 0.712 39.059 38.487 -0.234 0.000 1.133 727 N HN 0.956 nan 8.380 nan 0.000 0.506 728 E N 2.178 121.919 120.200 -0.766 0.000 2.047 728 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 728 E C 0.708 177.211 176.600 -0.161 0.000 0.987 728 E CA 1.397 57.480 56.400 -0.529 0.000 0.799 728 E CB 0.249 29.905 29.700 -0.074 0.000 0.752 728 E HN 0.617 nan 8.360 nan 0.000 0.449 729 T N 1.851 116.334 114.554 -0.118 0.000 2.759 729 T HA -0.191 4.159 4.350 -0.000 0.000 0.269 729 T C 1.758 176.424 174.700 -0.056 0.000 1.042 729 T CA 1.209 63.278 62.100 -0.053 0.000 1.140 729 T CB -0.302 68.538 68.868 -0.046 0.000 0.864 729 T HN 0.139 nan 8.240 nan 0.000 0.455 730 L N 0.801 121.968 121.223 -0.092 0.000 1.994 730 L HA 0.029 4.369 4.340 -0.000 0.000 0.208 730 L C 2.012 178.870 176.870 -0.020 0.000 1.071 730 L CA 1.649 56.452 54.840 -0.062 0.000 0.745 730 L CB -1.145 40.869 42.059 -0.076 0.000 0.892 730 L HN 0.224 nan 8.230 nan 0.000 0.431 731 F N 0.622 120.473 119.950 -0.165 0.000 2.025 731 F HA -0.258 4.269 4.527 -0.000 0.000 0.297 731 F C 2.656 178.450 175.800 -0.009 0.000 1.132 731 F CA 1.946 59.919 58.000 -0.045 0.000 1.191 731 F CB -0.555 38.484 39.000 0.064 0.000 0.963 731 F HN 0.057 nan 8.300 nan 0.000 0.481 732 R N 0.583 121.095 120.500 0.020 0.000 2.189 732 R HA -0.282 4.058 4.340 -0.000 0.000 0.252 732 R C 1.930 178.115 176.300 -0.191 0.000 1.134 732 R CA 2.091 58.143 56.100 -0.081 0.000 0.954 732 R CB -1.435 28.878 30.300 0.021 0.000 0.890 732 R HN 0.453 nan 8.270 nan 0.000 0.443 733 N N 0.742 119.357 118.700 -0.140 0.000 2.062 733 N HA -0.133 4.607 4.740 -0.000 0.000 0.191 733 N C 1.919 177.316 175.510 -0.190 0.000 1.042 733 N CA 1.090 54.056 53.050 -0.141 0.000 0.845 733 N CB -0.459 37.972 38.487 -0.094 0.000 1.024 733 N HN 0.354 nan 8.380 nan 0.000 0.424 734 Q N 0.974 120.661 119.800 -0.188 0.000 2.065 734 Q HA -0.218 4.122 4.340 -0.000 0.000 0.213 734 Q C 2.236 178.077 176.000 -0.265 0.000 1.012 734 Q CA 1.640 57.329 55.803 -0.190 0.000 0.876 734 Q CB -0.444 28.204 28.738 -0.150 0.000 0.954 734 Q HN 0.365 nan 8.270 nan 0.000 0.413 735 L N -0.025 120.925 121.223 -0.455 0.000 1.976 735 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 735 L C 2.364 179.078 176.870 -0.260 0.000 1.071 735 L CA 1.566 56.165 54.840 -0.401 0.000 0.746 735 L CB -0.584 41.094 42.059 -0.635 0.000 0.890 735 L HN 0.291 nan 8.230 nan 0.000 0.432 736 A N 0.213 122.884 122.820 -0.248 0.000 1.881 736 A HA -0.295 4.025 4.320 -0.000 0.000 0.219 736 A C 2.162 179.657 177.584 -0.149 0.000 1.215 736 A CA 2.540 54.467 52.037 -0.184 0.000 0.648 736 A CB -1.200 17.723 19.000 -0.128 0.000 0.832 736 A HN 0.555 nan 8.150 nan 0.000 0.455 737 L N -1.246 119.872 121.223 -0.176 0.000 2.005 737 L HA -0.138 4.201 4.340 -0.000 0.000 0.207 737 L C 3.094 179.872 176.870 -0.153 0.000 1.072 737 L CA 1.037 55.727 54.840 -0.250 0.000 0.744 737 L CB -0.722 41.120 42.059 -0.362 0.000 0.895 737 L HN 0.445 nan 8.230 nan 0.000 0.433 738 A N -0.412 122.319 122.820 -0.148 0.000 2.093 738 A HA -0.242 4.078 4.320 -0.000 0.000 0.222 738 A C 2.289 179.796 177.584 -0.129 0.000 1.162 738 A CA 2.444 54.395 52.037 -0.144 0.000 0.655 738 A CB -0.903 17.980 19.000 -0.195 0.000 0.805 738 A HN 0.475 nan 8.150 nan 0.000 0.461 739 T N -1.766 112.686 114.554 -0.170 0.000 2.735 739 T HA -0.144 4.206 4.350 -0.000 0.000 0.256 739 T C 1.467 176.032 174.700 -0.225 0.000 1.042 739 T CA 1.276 63.233 62.100 -0.239 0.000 1.147 739 T CB -0.393 68.222 68.868 -0.422 0.000 0.865 739 T HN 0.748 nan 8.240 nan 0.000 0.421 740 W N 1.737 123.011 121.300 -0.042 0.000 2.387 740 W HA -0.117 4.543 4.660 -0.000 0.000 0.272 740 W C 2.600 179.170 176.519 0.084 0.000 1.224 740 W CA 0.669 58.023 57.345 0.014 0.000 1.210 740 W CB -0.858 28.580 29.460 -0.037 0.000 1.125 740 W HN 0.245 nan 8.180 nan 0.000 0.572 741 T N 0.844 115.536 114.554 0.231 0.000 2.701 741 T HA -0.196 4.154 4.350 -0.000 0.000 0.263 741 T C 1.697 176.426 174.700 0.048 0.000 1.040 741 T CA 1.547 63.754 62.100 0.178 0.000 1.147 741 T CB -0.469 68.458 68.868 0.099 0.000 0.865 741 T HN 0.067 nan 8.240 nan 0.000 0.426 742 I N 0.896 121.479 120.570 0.021 0.000 2.179 742 I HA -0.198 3.972 4.170 -0.000 0.000 0.242 742 I C 2.997 179.131 176.117 0.028 0.000 1.088 742 I CA 1.103 62.404 61.300 0.001 0.000 1.357 742 I CB -0.445 37.571 38.000 0.027 0.000 1.051 742 I HN 0.158 nan 8.210 nan 0.000 0.409 743 Q N 1.168 121.010 119.800 0.071 0.000 2.014 743 Q HA -0.207 4.133 4.340 -0.000 0.000 0.207 743 Q C 2.273 178.367 176.000 0.157 0.000 0.993 743 Q CA 2.379 58.265 55.803 0.138 0.000 0.850 743 Q CB -1.041 27.821 28.738 0.206 0.000 0.916 743 Q HN 0.569 nan 8.270 nan 0.000 0.417 744 G N 0.313 109.216 108.800 0.171 0.000 2.476 744 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 744 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 744 G C 1.548 176.408 174.900 -0.067 0.000 1.164 744 G CA 1.862 47.010 45.100 0.080 0.000 0.768 744 G HN 0.545 nan 8.290 nan 0.000 0.560 745 A N 0.979 123.718 122.820 -0.135 0.000 1.986 745 A HA 0.132 4.452 4.320 -0.000 0.000 0.220 745 A C 2.772 180.337 177.584 -0.030 0.000 1.171 745 A CA 2.521 54.390 52.037 -0.280 0.000 0.640 745 A CB -0.688 17.873 19.000 -0.731 0.000 0.811 745 A HN 0.850 nan 8.150 nan 0.000 0.451 746 A N 0.318 123.225 122.820 0.144 0.000 1.840 746 A HA -0.142 4.178 4.320 -0.000 0.000 0.214 746 A C 1.818 179.380 177.584 -0.037 0.000 1.198 746 A CA 1.475 53.596 52.037 0.141 0.000 0.608 746 A CB -0.651 18.478 19.000 0.214 0.000 0.839 746 A HN 0.524 nan 8.150 nan 0.000 0.443 747 N N 0.699 119.396 118.700 -0.005 0.000 2.334 747 N HA -0.124 4.616 4.740 -0.000 0.000 0.187 747 N C 1.558 176.988 175.510 -0.134 0.000 1.016 747 N CA 1.436 54.470 53.050 -0.027 0.000 0.879 747 N CB -0.436 38.079 38.487 0.047 0.000 0.965 747 N HN 0.531 nan 8.380 nan 0.000 0.438 748 A N 0.115 122.788 122.820 -0.244 0.000 1.984 748 A HA 0.086 4.406 4.320 -0.000 0.000 0.214 748 A C 1.775 179.160 177.584 -0.332 0.000 1.173 748 A CA 0.183 51.980 52.037 -0.400 0.000 0.673 748 A CB -0.185 18.253 19.000 -0.936 0.000 0.830 748 A HN 0.184 nan 8.150 nan 0.000 0.453 749 L N -0.667 120.383 121.223 -0.288 0.000 2.645 749 L HA 0.259 4.598 4.340 -0.000 0.000 0.235 749 L C 0.685 177.396 176.870 -0.266 0.000 1.150 749 L CA 0.968 55.645 54.840 -0.271 0.000 0.911 749 L CB -0.896 40.973 42.059 -0.317 0.000 1.077 749 L HN 0.547 nan 8.230 nan 0.000 0.438 750 S N -1.575 113.992 115.700 -0.223 0.000 4.146 750 S HA 0.024 4.494 4.470 -0.000 0.000 0.628 750 S C 0.816 175.330 174.600 -0.143 0.000 1.860 750 S CA 0.322 58.406 58.200 -0.194 0.000 4.099 750 S CB -1.711 61.365 63.200 -0.206 0.000 0.215 750 S HN 1.644 nan 8.310 nan 0.000 0.512 751 G N 1.610 110.339 108.800 -0.118 0.000 2.132 751 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.234 751 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.234 751 G C 0.153 175.025 174.900 -0.047 0.000 0.989 751 G CA 1.036 46.100 45.100 -0.059 0.000 0.676 751 G HN 1.668 nan 8.290 nan 0.000 0.522 752 D N -1.991 118.357 120.400 -0.088 0.000 3.041 752 D HA -0.181 4.459 4.640 -0.000 0.000 0.220 752 D C 0.918 177.145 176.300 -0.123 0.000 1.157 752 D CA 1.464 55.411 54.000 -0.089 0.000 0.876 752 D CB -1.699 39.078 40.800 -0.038 0.000 1.107 752 D HN 1.714 nan 8.370 nan 0.000 0.422 753 V N -2.127 117.686 119.914 -0.168 0.000 3.570 753 V HA -0.312 3.808 4.120 -0.000 0.000 0.510 753 V C 0.901 176.955 176.094 -0.068 0.000 0.682 753 V CA 0.778 62.894 62.300 -0.307 0.000 2.063 753 V CB -0.617 30.844 31.823 -0.603 0.000 2.487 753 V HN 0.590 nan 8.190 nan 0.000 0.510 754 W N 0.082 121.377 121.300 -0.009 0.000 5.770 754 W HA -0.185 4.475 4.660 -0.000 0.000 0.389 754 W C 0.516 177.043 176.519 0.014 0.000 1.469 754 W CA 0.272 57.620 57.345 0.005 0.000 0.975 754 W CB -1.124 28.340 29.460 0.006 0.000 2.622 754 W HN 0.917 nan 8.180 nan 0.000 1.500 755 D N 1.027 121.567 120.400 0.234 0.000 2.982 755 D HA 0.004 4.644 4.640 -0.000 0.000 0.222 755 D C 0.581 176.971 176.300 0.150 0.000 1.124 755 D CA 0.890 54.979 54.000 0.148 0.000 0.810 755 D CB 0.341 41.211 40.800 0.116 0.000 1.152 755 D HN 0.037 nan 8.370 nan 0.000 0.538 756 I N 2.223 122.865 120.570 0.121 0.000 3.585 756 I HA 0.087 4.257 4.170 -0.000 0.000 0.325 756 I C 0.129 176.298 176.117 0.087 0.000 1.370 756 I CA -0.222 61.138 61.300 0.101 0.000 1.298 756 I CB -0.528 37.524 38.000 0.087 0.000 1.387 756 I HN 0.196 nan 8.210 nan 0.000 0.466 757 D N -0.814 119.644 120.400 0.097 0.000 3.110 757 D HA 0.023 4.663 4.640 -0.000 0.000 0.254 757 D C 1.051 177.429 176.300 0.129 0.000 1.283 757 D CA -0.396 53.661 54.000 0.095 0.000 0.944 757 D CB -0.666 40.177 40.800 0.072 0.000 1.066 757 D HN 0.499 nan 8.370 nan 0.000 0.496 758 N N -0.159 118.607 118.700 0.111 0.000 2.364 758 N HA -0.266 4.474 4.740 -0.000 0.000 0.183 758 N C 1.352 176.934 175.510 0.121 0.000 1.022 758 N CA 0.340 53.456 53.050 0.110 0.000 0.883 758 N CB 0.137 38.666 38.487 0.071 0.000 0.965 758 N HN 0.183 nan 8.380 nan 0.000 0.438 759 E N 1.177 121.449 120.200 0.121 0.000 1.989 759 E HA -0.092 4.258 4.350 -0.000 0.000 0.214 759 E C 0.309 177.010 176.600 0.168 0.000 0.915 759 E CA 0.074 56.541 56.400 0.112 0.000 1.012 759 E CB -0.683 29.075 29.700 0.097 0.000 0.865 759 E HN 0.209 nan 8.360 nan 0.000 0.577 760 F N 0.000 119.952 119.950 0.003 0.000 2.286 760 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 760 F CA 0.000 57.986 58.000 -0.023 0.000 1.383 760 F CB 0.000 38.987 39.000 -0.021 0.000 1.145 760 F HN 0.000 nan 8.300 nan 0.000 0.574