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 3e1s_1_A DATA FIRST_RESID 193 DATA SEQUENCE FTLTEVEGIG FLTADKLWXX XXXXXDDPRR LTAAAVYALQ LAGTQAGHSF DATA SEQUENCE LPRSRAEKGV VHYTRVTPGQ ARLAVETAVE LGRLSEDDSP LFAAXXXATG DATA SEQUENCE EGRIYLPHVL RAEKKLASLI RTLLATPPAD XAGNDDWAVP KKARKGLSEE DATA SEQUENCE QASVLDQLAG HRLVVLTGGP GTGKSTTTKA VADLAESLGL EVGLCAPTGK DATA SEQUENCE AARRLGEVTG RTASTVHRLL GYGPQGFRHN HLEPAPYDLL IVDEVSMMGD DATA SEQUENCE ALMLSLLAAV PPGARVLLVG DTDQLPPVDA GLPLLALAQA APTIKLTQVY DATA SEQUENCE RQAAKNPIIQ AAHGLLHGEA PAWGDKRLNL TEIEPDGGAR RVALMVRELG DATA SEQUENCE GPGAVQVLTP MRKGPLGMDH LNYHLQALFN PGEGGVRIAE GEARPGDTVV DATA SEQUENCE QTKNDYNNEI FNGTLGMVLK AEGARLTVDF DGNVVELTGA ELFNLQLGYA DATA SEQUENCE LTVHRAQGSE WGTVLGVLHE AHMPMLSRNL VYTALTRARD RFFSAGSASA DATA SEQUENCE WQIAAARQRE ARNTALLERI RAHLEHHH 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 193 F HA 0.000 nan 4.527 nan 0.000 0.279 193 F C 0.000 175.808 175.800 0.013 0.000 0.967 193 F CA 0.000 57.961 58.000 -0.065 0.000 1.383 193 F CB 0.000 38.889 39.000 -0.185 0.000 1.145 194 T N 1.056 115.716 114.554 0.177 0.000 2.977 194 T HA -0.104 4.166 4.350 -0.133 0.000 0.271 194 T C 2.125 176.885 174.700 0.100 0.000 1.105 194 T CA 1.543 63.717 62.100 0.124 0.000 1.116 194 T CB -0.348 68.576 68.868 0.093 0.000 0.878 194 T HN 0.226 nan 8.240 nan 0.000 0.509 195 L N 0.294 121.567 121.223 0.082 0.000 2.456 195 L HA 0.091 4.351 4.340 -0.133 0.000 0.224 195 L C 2.735 179.661 176.870 0.093 0.000 1.148 195 L CA 2.315 57.191 54.840 0.060 0.000 0.825 195 L CB -2.118 39.951 42.059 0.016 0.000 0.937 195 L HN 0.487 nan 8.230 nan 0.000 0.450 196 T N -0.412 114.234 114.554 0.153 0.000 2.778 196 T HA -0.205 4.065 4.350 -0.133 0.000 0.269 196 T C 1.659 176.449 174.700 0.149 0.000 1.050 196 T CA 1.861 64.080 62.100 0.198 0.000 1.137 196 T CB -0.200 68.824 68.868 0.259 0.000 0.860 196 T HN 0.880 nan 8.240 nan 0.000 0.468 197 E N 0.205 120.473 120.200 0.114 0.000 2.290 197 E HA 0.175 4.445 4.350 -0.133 0.000 0.197 197 E C 0.918 177.555 176.600 0.062 0.000 0.948 197 E CA -0.062 56.393 56.400 0.092 0.000 0.895 197 E CB 0.004 29.755 29.700 0.084 0.000 0.865 197 E HN 0.255 nan 8.360 nan 0.000 0.486 198 V N 3.258 123.204 119.914 0.053 0.000 2.540 198 V HA -0.055 3.985 4.120 -0.133 0.000 0.297 198 V C 0.086 176.199 176.094 0.032 0.000 1.024 198 V CA 0.133 62.452 62.300 0.032 0.000 1.105 198 V CB 0.301 32.139 31.823 0.027 0.000 0.938 198 V HN 0.098 nan 8.190 nan 0.000 0.482 199 E N 5.632 125.843 120.200 0.019 0.000 2.493 199 E HA 0.359 4.629 4.350 -0.133 0.000 0.255 199 E C 0.921 177.538 176.600 0.028 0.000 0.999 199 E CA 0.881 57.296 56.400 0.025 0.000 0.934 199 E CB 0.637 30.344 29.700 0.012 0.000 0.940 199 E HN 1.079 nan 8.360 nan 0.000 0.473 200 G N 3.328 112.154 108.800 0.043 0.000 2.475 200 G HA2 -0.232 3.648 3.960 -0.133 0.000 0.198 200 G HA3 -0.232 3.648 3.960 -0.133 0.000 0.198 200 G C -0.017 174.911 174.900 0.047 0.000 2.226 200 G CA -0.355 44.770 45.100 0.042 0.000 1.626 200 G HN 0.432 nan 8.290 nan 0.000 0.534 201 I N 2.640 123.233 120.570 0.038 0.000 2.945 201 I HA 0.637 4.727 4.170 -0.133 0.000 0.292 201 I C 1.225 177.375 176.117 0.056 0.000 1.093 201 I CA 0.753 62.074 61.300 0.035 0.000 1.336 201 I CB 1.131 39.141 38.000 0.018 0.000 1.435 201 I HN 0.878 nan 8.210 nan 0.000 0.593 202 G N 1.276 110.108 108.800 0.055 0.000 2.815 202 G HA2 0.315 4.195 3.960 -0.133 0.000 0.305 202 G HA3 0.315 4.195 3.960 -0.133 0.000 0.305 202 G C -0.262 174.693 174.900 0.091 0.000 1.277 202 G CA -0.457 44.705 45.100 0.104 0.000 0.795 202 G HN 0.451 nan 8.290 nan 0.000 0.528 203 F N 0.321 120.240 119.950 -0.051 0.000 2.128 203 F HA 0.087 4.534 4.527 -0.134 0.000 0.295 203 F C 2.586 178.244 175.800 -0.237 0.000 1.100 203 F CA 1.356 59.262 58.000 -0.157 0.000 1.260 203 F CB -0.366 38.393 39.000 -0.402 0.000 1.009 203 F HN 0.192 nan 8.300 nan 0.000 0.476 204 L N 0.402 121.494 121.223 -0.218 0.000 2.017 204 L HA -0.396 3.864 4.340 -0.133 0.000 0.234 204 L C 2.756 179.507 176.870 -0.199 0.000 1.097 204 L CA 3.202 57.934 54.840 -0.181 0.000 0.816 204 L CB -2.018 40.036 42.059 -0.009 0.000 0.914 204 L HN 0.409 nan 8.230 nan 0.000 0.444 205 T N -3.555 110.917 114.554 -0.136 0.000 2.896 205 T HA 0.020 4.290 4.350 -0.133 0.000 0.263 205 T C 1.852 176.438 174.700 -0.191 0.000 1.050 205 T CA 0.734 62.762 62.100 -0.120 0.000 1.140 205 T CB -0.656 68.174 68.868 -0.063 0.000 0.877 205 T HN 0.306 nan 8.240 nan 0.000 0.457 206 A N 1.585 124.245 122.820 -0.266 0.000 2.070 206 A HA -0.051 4.189 4.320 -0.133 0.000 0.220 206 A C 2.089 179.306 177.584 -0.613 0.000 1.159 206 A CA 1.749 53.539 52.037 -0.412 0.000 0.656 206 A CB -0.861 17.881 19.000 -0.429 0.000 0.800 206 A HN 0.570 nan 8.150 nan 0.000 0.453 207 D N -0.207 119.852 120.400 -0.569 0.000 2.106 207 D HA -0.056 4.504 4.640 -0.133 0.000 0.203 207 D C 1.592 177.814 176.300 -0.131 0.000 0.977 207 D CA 1.206 54.958 54.000 -0.412 0.000 0.844 207 D CB -0.154 40.263 40.800 -0.638 0.000 1.002 207 D HN 0.363 nan 8.370 nan 0.000 0.461 208 K N 0.153 120.476 120.400 -0.129 0.000 2.551 208 K HA 0.069 4.309 4.320 -0.133 0.000 0.192 208 K C 1.295 177.871 176.600 -0.039 0.000 1.027 208 K CA -0.105 56.155 56.287 -0.045 0.000 1.059 208 K CB 0.431 32.909 32.500 -0.037 0.000 0.831 208 K HN 0.215 nan 8.250 nan 0.000 0.508 209 L N -0.138 121.046 121.223 -0.063 0.000 2.515 209 L HA 0.129 4.389 4.340 -0.133 0.000 0.223 209 L C 0.571 177.431 176.870 -0.016 0.000 1.079 209 L CA 0.320 55.128 54.840 -0.053 0.000 0.857 209 L CB -0.158 41.852 42.059 -0.082 0.000 1.050 209 L HN 0.296 nan 8.230 nan 0.000 0.476 219 D N -0.141 120.335 120.400 0.128 0.000 2.163 219 D HA 0.376 4.936 4.640 -0.133 0.000 0.248 219 D C -1.261 175.026 176.300 -0.022 0.000 1.035 219 D CA -1.704 52.366 54.000 0.117 0.000 0.872 219 D CB 2.150 43.140 40.800 0.316 0.000 1.183 219 D HN -0.231 nan 8.370 nan 0.000 0.445 220 P HA -0.269 nan 4.420 nan 0.000 0.218 220 P C 1.217 178.449 177.300 -0.113 0.000 1.152 220 P CA 1.242 64.315 63.100 -0.045 0.000 0.857 220 P CB 0.142 31.840 31.700 -0.004 0.000 0.787 221 R N 0.648 121.077 120.500 -0.119 0.000 2.096 221 R HA -0.114 4.147 4.340 -0.133 0.000 0.235 221 R C 2.504 178.486 176.300 -0.530 0.000 1.127 221 R CA 1.684 57.671 56.100 -0.190 0.000 0.968 221 R CB -1.104 29.155 30.300 -0.068 0.000 0.861 221 R HN 0.026 nan 8.270 nan 0.000 0.440 222 R N -0.201 119.801 120.500 -0.831 0.000 2.075 222 R HA -0.052 4.208 4.340 -0.133 0.000 0.232 222 R C 2.091 177.986 176.300 -0.676 0.000 1.126 222 R CA 1.690 56.910 56.100 -1.467 0.000 0.963 222 R CB -0.296 29.380 30.300 -1.039 0.000 0.858 222 R HN 0.298 nan 8.270 nan 0.000 0.435 223 L N 0.126 121.132 121.223 -0.361 0.000 2.005 223 L HA -0.147 4.113 4.340 -0.133 0.000 0.207 223 L C 2.846 179.601 176.870 -0.192 0.000 1.072 223 L CA 1.964 56.683 54.840 -0.201 0.000 0.744 223 L CB -0.824 41.168 42.059 -0.113 0.000 0.895 223 L HN 0.405 nan 8.230 nan 0.000 0.433 224 T N -1.757 112.693 114.554 -0.172 0.000 2.833 224 T HA -0.173 4.097 4.350 -0.133 0.000 0.269 224 T C 1.839 176.454 174.700 -0.141 0.000 1.054 224 T CA 1.196 63.224 62.100 -0.120 0.000 1.135 224 T CB -0.277 68.546 68.868 -0.075 0.000 0.869 224 T HN 0.309 nan 8.240 nan 0.000 0.466 225 A N 1.122 123.821 122.820 -0.202 0.000 1.968 225 A HA 0.547 4.787 4.320 -0.133 0.000 0.217 225 A C 2.750 180.070 177.584 -0.441 0.000 1.169 225 A CA 1.367 53.299 52.037 -0.174 0.000 0.638 225 A CB -1.138 17.849 19.000 -0.021 0.000 0.812 225 A HN 0.786 nan 8.150 nan 0.000 0.446 226 A N -0.159 122.299 122.820 -0.603 0.000 2.014 226 A HA 0.277 4.517 4.320 -0.133 0.000 0.218 226 A C 2.372 179.771 177.584 -0.308 0.000 1.163 226 A CA 1.609 53.172 52.037 -0.790 0.000 0.652 226 A CB -0.705 18.045 19.000 -0.416 0.000 0.808 226 A HN 0.858 nan 8.150 nan 0.000 0.449 227 A N -0.312 122.392 122.820 -0.192 0.000 1.855 227 A HA -0.011 4.229 4.320 -0.133 0.000 0.215 227 A C 2.180 179.714 177.584 -0.084 0.000 1.191 227 A CA 1.728 53.707 52.037 -0.097 0.000 0.613 227 A CB -1.042 17.917 19.000 -0.067 0.000 0.829 227 A HN 0.380 nan 8.150 nan 0.000 0.442 228 V N -1.164 118.702 119.914 -0.081 0.000 2.324 228 V HA -0.311 3.729 4.120 -0.133 0.000 0.250 228 V C 2.412 178.488 176.094 -0.030 0.000 1.060 228 V CA 2.333 64.615 62.300 -0.028 0.000 1.042 228 V CB -1.044 30.784 31.823 0.008 0.000 0.650 228 V HN 0.720 nan 8.190 nan 0.000 0.450 229 Y N 1.321 121.460 120.300 -0.268 0.000 2.242 229 Y HA -0.133 4.338 4.550 -0.133 0.000 0.291 229 Y C 2.347 178.101 175.900 -0.243 0.000 1.137 229 Y CA 1.118 59.040 58.100 -0.296 0.000 1.181 229 Y CB -0.623 37.454 38.460 -0.637 0.000 0.989 229 Y HN 0.147 nan 8.280 nan 0.000 0.527 230 A N 0.254 122.911 122.820 -0.270 0.000 1.933 230 A HA -0.146 4.094 4.320 -0.133 0.000 0.218 230 A C 2.199 179.664 177.584 -0.199 0.000 1.175 230 A CA 1.706 53.606 52.037 -0.228 0.000 0.628 230 A CB -0.910 18.083 19.000 -0.012 0.000 0.814 230 A HN 0.468 nan 8.150 nan 0.000 0.444 231 L N -0.494 120.649 121.223 -0.133 0.000 2.072 231 L HA -0.161 4.099 4.340 -0.133 0.000 0.205 231 L C 2.690 179.500 176.870 -0.100 0.000 1.079 231 L CA 1.815 56.604 54.840 -0.086 0.000 0.752 231 L CB -1.615 40.423 42.059 -0.035 0.000 0.906 231 L HN 0.547 nan 8.230 nan 0.000 0.436 232 Q N -0.732 118.999 119.800 -0.115 0.000 2.077 232 Q HA -0.263 3.997 4.340 -0.133 0.000 0.206 232 Q C 2.152 178.045 176.000 -0.178 0.000 0.989 232 Q CA 1.321 57.068 55.803 -0.094 0.000 0.853 232 Q CB -0.179 28.536 28.738 -0.038 0.000 0.907 232 Q HN 0.255 nan 8.270 nan 0.000 0.418 233 L N 0.265 121.263 121.223 -0.374 0.000 2.141 233 L HA -0.127 4.133 4.340 -0.133 0.000 0.209 233 L C 2.225 178.984 176.870 -0.185 0.000 1.094 233 L CA 1.738 56.346 54.840 -0.387 0.000 0.763 233 L CB -1.194 40.409 42.059 -0.760 0.000 0.908 233 L HN 0.165 nan 8.230 nan 0.000 0.437 234 A N -0.575 122.171 122.820 -0.123 0.000 1.873 234 A HA -0.178 4.062 4.320 -0.133 0.000 0.218 234 A C 2.419 179.977 177.584 -0.043 0.000 1.193 234 A CA 1.928 53.962 52.037 -0.005 0.000 0.629 234 A CB -1.417 17.592 19.000 0.015 0.000 0.826 234 A HN 0.440 nan 8.150 nan 0.000 0.447 235 G N -1.625 107.144 108.800 -0.051 0.000 2.418 235 G HA2 -0.141 3.739 3.960 -0.133 0.000 0.217 235 G HA3 -0.141 3.739 3.960 -0.133 0.000 0.217 235 G C 1.589 176.448 174.900 -0.067 0.000 1.158 235 G CA 1.677 46.748 45.100 -0.049 0.000 0.771 235 G HN 0.444 nan 8.290 nan 0.000 0.545 236 T N 0.270 114.783 114.554 -0.069 0.000 2.777 236 T HA -0.056 4.214 4.350 -0.133 0.000 0.266 236 T C 2.481 177.134 174.700 -0.079 0.000 1.040 236 T CA 1.522 63.586 62.100 -0.061 0.000 1.141 236 T CB -0.086 68.746 68.868 -0.060 0.000 0.868 236 T HN 0.329 nan 8.240 nan 0.000 0.444 237 Q N -0.176 119.567 119.800 -0.096 0.000 2.107 237 Q HA 0.270 4.530 4.340 -0.133 0.000 0.195 237 Q C 2.253 178.173 176.000 -0.133 0.000 0.964 237 Q CA 0.964 56.713 55.803 -0.089 0.000 0.833 237 Q CB 0.059 28.762 28.738 -0.057 0.000 0.910 237 Q HN 0.455 nan 8.270 nan 0.000 0.465 238 A N -0.739 121.949 122.820 -0.219 0.000 2.343 238 A HA 0.395 4.635 4.320 -0.133 0.000 0.223 238 A C 1.270 178.536 177.584 -0.530 0.000 1.214 238 A CA 0.656 52.446 52.037 -0.412 0.000 0.900 238 A CB 0.321 18.959 19.000 -0.604 0.000 0.942 238 A HN 0.426 nan 8.150 nan 0.000 0.507 239 G N -0.053 108.542 108.800 -0.341 0.000 2.147 239 G HA2 -0.237 3.643 3.960 -0.133 0.000 0.244 239 G HA3 -0.237 3.643 3.960 -0.133 0.000 0.244 239 G C -0.045 174.724 174.900 -0.218 0.000 1.005 239 G CA 0.262 45.230 45.100 -0.219 0.000 0.713 239 G HN 0.661 nan 8.290 nan 0.000 0.515 240 H N 0.410 119.401 119.070 -0.132 0.000 2.764 240 H HA 0.366 4.842 4.556 -0.133 0.000 0.341 240 H C 1.515 176.733 175.328 -0.183 0.000 1.072 240 H CA 0.561 56.477 56.048 -0.221 0.000 1.444 240 H CB 1.372 30.958 29.762 -0.292 0.000 1.458 240 H HN 0.157 nan 8.280 nan 0.000 0.572 241 S N 2.993 118.660 115.700 -0.056 0.000 2.470 241 S HA 0.056 4.446 4.470 -0.133 0.000 0.225 241 S C 0.301 174.824 174.600 -0.129 0.000 1.006 241 S CA 0.411 58.621 58.200 0.016 0.000 0.934 241 S CB 0.035 63.345 63.200 0.184 0.000 0.778 241 S HN 0.590 nan 8.310 nan 0.000 0.517 242 F N -1.135 118.583 119.950 -0.387 0.000 2.745 242 F HA 0.749 5.197 4.527 -0.133 0.000 0.316 242 F C -1.850 173.721 175.800 -0.382 0.000 1.155 242 F CA -1.615 56.006 58.000 -0.632 0.000 0.937 242 F CB 0.944 39.159 39.000 -1.310 0.000 1.361 242 F HN -0.266 nan 8.300 nan 0.000 0.472 243 L N 1.884 123.050 121.223 -0.095 0.000 2.408 243 L HA 0.585 4.845 4.340 -0.133 0.000 0.268 243 L C -2.631 174.288 176.870 0.081 0.000 0.986 243 L CA -2.221 52.540 54.840 -0.132 0.000 0.820 243 L CB 2.793 44.770 42.059 -0.137 0.000 1.303 243 L HN 0.387 nan 8.230 nan 0.000 0.411 244 P HA 0.046 nan 4.420 nan 0.000 0.268 244 P C 0.249 177.557 177.300 0.014 0.000 1.208 244 P CA -0.156 62.982 63.100 0.063 0.000 0.777 244 P CB 0.640 32.360 31.700 0.033 0.000 0.875 245 R N 1.968 122.475 120.500 0.012 0.000 2.103 245 R HA -0.198 4.062 4.340 -0.133 0.000 0.242 245 R C 2.043 178.341 176.300 -0.004 0.000 1.142 245 R CA 2.617 58.719 56.100 0.004 0.000 0.960 245 R CB -0.717 29.584 30.300 0.003 0.000 0.858 245 R HN 0.640 nan 8.270 nan 0.000 0.439 246 S N 0.184 115.880 115.700 -0.007 0.000 2.368 246 S HA -0.101 4.289 4.470 -0.133 0.000 0.225 246 S C 1.901 176.491 174.600 -0.018 0.000 1.030 246 S CA 0.697 58.891 58.200 -0.010 0.000 0.999 246 S CB -0.257 62.936 63.200 -0.011 0.000 0.844 246 S HN 0.314 nan 8.310 nan 0.000 0.459 247 R N 1.911 122.391 120.500 -0.032 0.000 2.115 247 R HA 0.281 4.541 4.340 -0.133 0.000 0.226 247 R C 2.681 178.958 176.300 -0.038 0.000 1.100 247 R CA 1.178 57.248 56.100 -0.051 0.000 0.980 247 R CB -1.641 28.603 30.300 -0.094 0.000 0.875 247 R HN 0.588 nan 8.270 nan 0.000 0.445 248 A N 1.650 124.453 122.820 -0.029 0.000 1.877 248 A HA -0.189 4.051 4.320 -0.133 0.000 0.216 248 A C 2.059 179.644 177.584 0.001 0.000 1.186 248 A CA 1.509 53.537 52.037 -0.015 0.000 0.620 248 A CB -0.390 18.603 19.000 -0.011 0.000 0.822 248 A HN 0.355 nan 8.150 nan 0.000 0.443 249 E N -0.568 119.632 120.200 0.000 0.000 2.077 249 E HA -0.200 4.070 4.350 -0.133 0.000 0.193 249 E C 2.116 178.727 176.600 0.018 0.000 0.989 249 E CA 1.293 57.698 56.400 0.007 0.000 0.800 249 E CB -0.139 29.563 29.700 0.003 0.000 0.746 249 E HN 0.595 nan 8.360 nan 0.000 0.452 250 K N 0.326 120.733 120.400 0.013 0.000 2.097 250 K HA -0.134 4.106 4.320 -0.133 0.000 0.206 250 K C 2.195 178.819 176.600 0.039 0.000 1.049 250 K CA 1.233 57.536 56.287 0.027 0.000 0.933 250 K CB -0.231 32.273 32.500 0.006 0.000 0.717 250 K HN 0.171 nan 8.250 nan 0.000 0.442 251 G N 0.479 109.295 108.800 0.027 0.000 2.440 251 G HA2 -0.220 3.660 3.960 -0.133 0.000 0.218 251 G HA3 -0.220 3.660 3.960 -0.133 0.000 0.218 251 G C 1.466 176.475 174.900 0.181 0.000 1.154 251 G CA 0.915 46.067 45.100 0.087 0.000 0.767 251 G HN 0.184 nan 8.290 nan 0.000 0.552 252 V N 0.510 120.498 119.914 0.124 0.000 2.407 252 V HA -0.173 3.867 4.120 -0.133 0.000 0.248 252 V C 3.020 179.177 176.094 0.105 0.000 1.055 252 V CA 1.468 63.836 62.300 0.113 0.000 1.049 252 V CB -0.392 31.454 31.823 0.038 0.000 0.662 252 V HN 0.253 nan 8.190 nan 0.000 0.455 253 V N -0.749 119.206 119.914 0.068 0.000 2.295 253 V HA -0.276 3.764 4.120 -0.133 0.000 0.246 253 V C 2.393 178.493 176.094 0.009 0.000 1.049 253 V CA 2.127 64.448 62.300 0.036 0.000 1.024 253 V CB -0.853 30.981 31.823 0.019 0.000 0.648 253 V HN 0.606 nan 8.190 nan 0.000 0.447 254 H N -1.118 117.884 119.070 -0.113 0.000 2.290 254 H HA -0.170 4.306 4.556 -0.133 0.000 0.298 254 H C 2.181 177.407 175.328 -0.169 0.000 1.087 254 H CA 2.541 58.441 56.048 -0.247 0.000 1.291 254 H CB -0.059 29.374 29.762 -0.547 0.000 1.369 254 H HN 0.481 nan 8.280 nan 0.000 0.492 255 Y N -0.303 120.137 120.300 0.234 0.000 2.511 255 Y HA -0.033 4.436 4.550 -0.134 0.000 0.279 255 Y C 2.206 178.262 175.900 0.260 0.000 1.157 255 Y CA 1.138 59.402 58.100 0.273 0.000 1.300 255 Y CB 0.382 39.054 38.460 0.354 0.000 1.052 255 Y HN 0.276 nan 8.280 nan 0.000 0.529 256 T N -4.452 110.275 114.554 0.288 0.000 3.046 256 T HA 0.191 4.461 4.350 -0.133 0.000 0.270 256 T C 0.592 175.367 174.700 0.125 0.000 0.920 256 T CA -0.234 62.000 62.100 0.224 0.000 0.874 256 T CB 0.290 69.285 68.868 0.213 0.000 1.214 256 T HN 0.000 nan 8.240 nan 0.000 0.536 257 R N 0.830 121.377 120.500 0.077 0.000 3.651 257 R HA -0.105 4.155 4.340 -0.133 0.000 0.292 257 R C 0.529 176.847 176.300 0.030 0.000 1.161 257 R CA 0.833 56.950 56.100 0.027 0.000 0.787 257 R CB -3.201 27.112 30.300 0.022 0.000 1.249 257 R HN 0.798 nan 8.270 nan 0.000 0.476 258 V N -2.203 117.733 119.914 0.036 0.000 3.441 258 V HA 0.607 4.647 4.120 -0.133 0.000 0.300 258 V C 1.529 177.632 176.094 0.015 0.000 1.062 258 V CA -0.009 62.307 62.300 0.028 0.000 1.064 258 V CB 1.289 33.129 31.823 0.027 0.000 1.197 258 V HN 0.379 nan 8.190 nan 0.000 0.451 259 T N -1.239 113.323 114.554 0.013 0.000 2.828 259 T HA 0.375 4.646 4.350 -0.133 0.000 0.290 259 T C -1.190 173.514 174.700 0.007 0.000 1.019 259 T CA -0.850 61.254 62.100 0.007 0.000 1.031 259 T CB 0.981 69.854 68.868 0.008 0.000 1.001 259 T HN 0.737 nan 8.240 nan 0.000 0.531 260 P HA 0.070 nan 4.420 nan 0.000 0.221 260 P C 1.627 178.929 177.300 0.004 0.000 1.150 260 P CA 1.064 64.167 63.100 0.005 0.000 0.800 260 P CB -0.470 31.232 31.700 0.003 0.000 0.787 261 G N 0.246 109.048 108.800 0.004 0.000 2.403 261 G HA2 -0.201 3.679 3.960 -0.133 0.000 0.216 261 G HA3 -0.201 3.679 3.960 -0.133 0.000 0.216 261 G C 1.648 176.550 174.900 0.002 0.000 1.154 261 G CA 0.300 45.402 45.100 0.003 0.000 0.784 261 G HN 0.276 nan 8.290 nan 0.000 0.538 262 Q N 0.178 119.981 119.800 0.004 0.000 2.119 262 Q HA 0.011 4.271 4.340 -0.133 0.000 0.201 262 Q C 2.988 178.986 176.000 -0.003 0.000 0.972 262 Q CA 1.184 56.988 55.803 0.002 0.000 0.847 262 Q CB -0.219 28.523 28.738 0.006 0.000 0.903 262 Q HN 0.473 nan 8.270 nan 0.000 0.433 263 A N 1.349 124.170 122.820 0.001 0.000 1.930 263 A HA -0.215 4.025 4.320 -0.133 0.000 0.217 263 A C 2.027 179.609 177.584 -0.004 0.000 1.175 263 A CA 1.526 53.563 52.037 0.000 0.000 0.627 263 A CB -0.471 18.535 19.000 0.009 0.000 0.815 263 A HN 0.266 nan 8.150 nan 0.000 0.443 264 R N -0.760 119.739 120.500 -0.002 0.000 2.073 264 R HA -0.106 4.154 4.340 -0.133 0.000 0.234 264 R C 1.967 178.264 176.300 -0.005 0.000 1.134 264 R CA 1.752 57.851 56.100 -0.002 0.000 0.952 264 R CB -0.539 29.761 30.300 -0.001 0.000 0.850 264 R HN 0.358 nan 8.270 nan 0.000 0.433 265 L N 0.777 121.996 121.223 -0.005 0.000 2.042 265 L HA -0.068 4.192 4.340 -0.133 0.000 0.210 265 L C 2.368 179.229 176.870 -0.014 0.000 1.076 265 L CA 2.116 56.952 54.840 -0.007 0.000 0.749 265 L CB -0.689 41.367 42.059 -0.005 0.000 0.893 265 L HN 0.377 nan 8.230 nan 0.000 0.432 266 A N -1.291 121.516 122.820 -0.022 0.000 1.865 266 A HA -0.193 4.048 4.320 -0.133 0.000 0.217 266 A C 2.282 179.847 177.584 -0.032 0.000 1.191 266 A CA 2.233 54.248 52.037 -0.037 0.000 0.623 266 A CB -1.164 17.807 19.000 -0.048 0.000 0.826 266 A HN 0.273 nan 8.150 nan 0.000 0.444 267 V N 0.002 119.903 119.914 -0.021 0.000 2.295 267 V HA -0.268 3.772 4.120 -0.133 0.000 0.246 267 V C 2.445 178.535 176.094 -0.006 0.000 1.049 267 V CA 2.331 64.623 62.300 -0.013 0.000 1.024 267 V CB -0.858 30.961 31.823 -0.006 0.000 0.648 267 V HN 0.642 nan 8.190 nan 0.000 0.447 268 E N -0.176 120.021 120.200 -0.005 0.000 2.077 268 E HA -0.194 4.076 4.350 -0.133 0.000 0.193 268 E C 2.283 178.881 176.600 -0.002 0.000 0.989 268 E CA 1.855 58.254 56.400 -0.002 0.000 0.800 268 E CB -0.270 29.428 29.700 -0.002 0.000 0.746 268 E HN 0.600 nan 8.360 nan 0.000 0.452 269 T N 0.854 115.403 114.554 -0.008 0.000 2.746 269 T HA -0.138 4.132 4.350 -0.133 0.000 0.267 269 T C 2.004 176.701 174.700 -0.006 0.000 1.039 269 T CA 1.134 63.229 62.100 -0.008 0.000 1.142 269 T CB -0.216 68.642 68.868 -0.015 0.000 0.866 269 T HN 0.239 nan 8.240 nan 0.000 0.444 270 A N 1.059 123.872 122.820 -0.011 0.000 1.902 270 A HA -0.055 4.185 4.320 -0.133 0.000 0.217 270 A C 2.583 180.173 177.584 0.009 0.000 1.181 270 A CA 1.388 53.422 52.037 -0.004 0.000 0.623 270 A CB -1.031 17.962 19.000 -0.012 0.000 0.818 270 A HN 0.352 nan 8.150 nan 0.000 0.443 271 V N 1.294 121.214 119.914 0.010 0.000 2.237 271 V HA -0.293 3.747 4.120 -0.133 0.000 0.245 271 V C 2.539 178.641 176.094 0.013 0.000 1.046 271 V CA 2.270 64.579 62.300 0.016 0.000 1.007 271 V CB -1.076 30.756 31.823 0.014 0.000 0.638 271 V HN 0.904 nan 8.190 nan 0.000 0.445 272 E N 0.314 120.520 120.200 0.009 0.000 2.333 272 E HA -0.191 4.079 4.350 -0.133 0.000 0.198 272 E C 1.909 178.516 176.600 0.012 0.000 1.007 272 E CA 1.308 57.713 56.400 0.009 0.000 0.845 272 E CB -0.311 29.393 29.700 0.007 0.000 0.766 272 E HN 0.569 nan 8.360 nan 0.000 0.507 273 L N -0.165 121.066 121.223 0.013 0.000 2.529 273 L HA 0.240 4.500 4.340 -0.133 0.000 0.223 273 L C 1.458 178.342 176.870 0.023 0.000 1.113 273 L CA 0.420 55.271 54.840 0.017 0.000 0.861 273 L CB 0.260 42.328 42.059 0.016 0.000 1.012 273 L HN 0.458 nan 8.230 nan 0.000 0.461 274 G N 0.160 108.974 108.800 0.024 0.000 2.157 274 G HA2 -0.262 3.618 3.960 -0.133 0.000 0.248 274 G HA3 -0.262 3.618 3.960 -0.133 0.000 0.248 274 G C 1.051 175.975 174.900 0.041 0.000 0.979 274 G CA 0.056 45.174 45.100 0.030 0.000 0.650 274 G HN 0.265 nan 8.290 nan 0.000 0.529 275 R N -0.772 119.752 120.500 0.039 0.000 2.240 275 R HA 0.361 4.621 4.340 -0.133 0.000 0.203 275 R C 0.944 177.276 176.300 0.054 0.000 1.011 275 R CA 0.638 56.767 56.100 0.049 0.000 1.007 275 R CB 0.206 30.528 30.300 0.036 0.000 0.911 275 R HN 0.476 nan 8.270 nan 0.000 0.468 276 L N -0.451 120.799 121.223 0.045 0.000 2.415 276 L HA 0.332 4.592 4.340 -0.133 0.000 0.256 276 L C -0.656 176.247 176.870 0.055 0.000 1.010 276 L CA -0.702 54.171 54.840 0.055 0.000 0.826 276 L CB 2.592 44.677 42.059 0.043 0.000 1.405 276 L HN -0.212 nan 8.230 nan 0.000 0.410 277 S N 0.275 116.022 115.700 0.078 0.000 2.454 277 S HA 0.458 4.848 4.470 -0.133 0.000 0.306 277 S C -0.969 173.687 174.600 0.093 0.000 1.100 277 S CA -0.763 57.474 58.200 0.061 0.000 1.087 277 S CB 1.518 64.732 63.200 0.023 0.000 1.019 277 S HN 0.473 nan 8.310 nan 0.000 0.480 278 E N 1.408 121.638 120.200 0.051 0.000 2.242 278 E HA 0.565 4.836 4.350 -0.133 0.000 0.275 278 E C -1.090 175.525 176.600 0.026 0.000 1.002 278 E CA -0.840 55.591 56.400 0.052 0.000 0.841 278 E CB 0.951 30.665 29.700 0.023 0.000 1.109 278 E HN 0.428 nan 8.360 nan 0.000 0.394 279 D N 1.319 121.737 120.400 0.030 0.000 2.763 279 D HA 0.125 4.685 4.640 -0.133 0.000 0.235 279 D C -1.251 175.026 176.300 -0.038 0.000 1.334 279 D CA -0.676 53.312 54.000 -0.021 0.000 0.950 279 D CB 0.982 41.752 40.800 -0.050 0.000 1.433 279 D HN 0.455 nan 8.370 nan 0.000 0.580 280 D N 1.823 122.197 120.400 -0.043 0.000 2.571 280 D HA 0.135 4.695 4.640 -0.133 0.000 0.239 280 D C 0.005 176.275 176.300 -0.051 0.000 1.267 280 D CA -0.374 53.597 54.000 -0.048 0.000 0.823 280 D CB 0.051 40.830 40.800 -0.035 0.000 1.056 280 D HN 0.137 nan 8.370 nan 0.000 0.494 281 S N 1.897 117.563 115.700 -0.056 0.000 2.558 281 S HA 0.221 4.611 4.470 -0.133 0.000 0.288 281 S C -2.215 172.352 174.600 -0.054 0.000 1.318 281 S CA -0.771 57.396 58.200 -0.055 0.000 1.056 281 S CB 0.322 63.486 63.200 -0.060 0.000 0.853 281 S HN 0.133 nan 8.310 nan 0.000 0.505 282 P HA 0.223 nan 4.420 nan 0.000 0.287 282 P C 0.117 177.392 177.300 -0.042 0.000 1.307 282 P CA -0.293 62.775 63.100 -0.054 0.000 0.777 282 P CB 0.720 32.380 31.700 -0.068 0.000 0.883 283 L N 2.841 124.053 121.223 -0.019 0.000 2.040 283 L HA 0.127 4.387 4.340 -0.133 0.000 0.208 283 L C 1.904 178.830 176.870 0.093 0.000 1.186 283 L CA 0.630 55.481 54.840 0.020 0.000 1.017 283 L CB -0.615 41.461 42.059 0.028 0.000 1.011 283 L HN 0.203 nan 8.230 nan 0.000 0.561 284 F N -0.733 119.192 119.950 -0.041 0.000 2.500 284 F HA 0.275 4.722 4.527 -0.133 0.000 0.285 284 F C 1.945 177.729 175.800 -0.027 0.000 1.088 284 F CA 0.682 58.666 58.000 -0.028 0.000 1.432 284 F CB 0.157 39.151 39.000 -0.009 0.000 1.131 284 F HN 0.049 nan 8.300 nan 0.000 0.582 285 A N 0.132 122.971 122.820 0.032 0.000 2.252 285 A HA 0.654 4.894 4.320 -0.133 0.000 0.213 285 A C 1.096 178.645 177.584 -0.058 0.000 1.188 285 A CA 0.564 52.576 52.037 -0.041 0.000 0.863 285 A CB -0.956 18.072 19.000 0.046 0.000 0.893 285 A HN 0.837 nan 8.150 nan 0.000 0.495 291 T N -1.199 113.347 114.554 -0.013 0.000 3.044 291 T HA 0.385 4.655 4.350 -0.133 0.000 0.250 291 T C 1.486 176.180 174.700 -0.009 0.000 1.081 291 T CA 1.801 63.897 62.100 -0.007 0.000 1.040 291 T CB -0.313 68.555 68.868 0.001 0.000 0.962 291 T HN 2.094 nan 8.240 nan 0.000 0.506 292 G N 1.260 110.052 108.800 -0.013 0.000 2.147 292 G HA2 -0.216 3.664 3.960 -0.133 0.000 0.244 292 G HA3 -0.216 3.664 3.960 -0.133 0.000 0.244 292 G C -0.131 174.763 174.900 -0.011 0.000 1.005 292 G CA 0.534 45.627 45.100 -0.012 0.000 0.713 292 G HN 0.758 nan 8.290 nan 0.000 0.515 293 E N -0.810 119.383 120.200 -0.011 0.000 2.321 293 E HA 0.575 4.845 4.350 -0.133 0.000 0.281 293 E C 0.559 177.150 176.600 -0.014 0.000 0.910 293 E CA -0.179 56.216 56.400 -0.008 0.000 0.770 293 E CB 0.876 30.576 29.700 -0.001 0.000 1.225 293 E HN 0.654 nan 8.360 nan 0.000 0.417 294 G N 2.596 111.388 108.800 -0.014 0.000 2.528 294 G HA2 0.449 4.329 3.960 -0.133 0.000 0.289 294 G HA3 0.449 4.329 3.960 -0.133 0.000 0.289 294 G C -0.625 174.260 174.900 -0.024 0.000 1.192 294 G CA -0.609 44.477 45.100 -0.023 0.000 0.921 294 G HN 0.460 nan 8.290 nan 0.000 0.512 295 R N -0.422 120.043 120.500 -0.058 0.000 2.407 295 R HA 0.493 4.753 4.340 -0.133 0.000 0.303 295 R C -0.183 176.136 176.300 0.032 0.000 0.981 295 R CA -0.551 55.488 56.100 -0.103 0.000 0.905 295 R CB 1.966 31.973 30.300 -0.488 0.000 1.099 295 R HN 0.601 nan 8.270 nan 0.000 0.459 296 I N -0.000 120.597 120.570 0.045 0.000 2.569 296 I HA 0.534 4.624 4.170 -0.133 0.000 0.296 296 I C -1.543 174.622 176.117 0.080 0.000 1.028 296 I CA -0.862 60.503 61.300 0.109 0.000 1.082 296 I CB 1.555 39.592 38.000 0.062 0.000 1.264 296 I HN 0.494 nan 8.210 nan 0.000 0.429 297 Y N 4.735 125.058 120.300 0.038 0.000 2.576 297 Y HA 0.522 4.992 4.550 -0.133 0.000 0.346 297 Y C -0.347 175.546 175.900 -0.011 0.000 1.018 297 Y CA -0.842 57.278 58.100 0.033 0.000 1.050 297 Y CB 2.049 40.517 38.460 0.013 0.000 1.280 297 Y HN 0.463 nan 8.280 nan 0.000 0.474 298 L N 4.447 125.740 121.223 0.116 0.000 2.462 298 L HA 0.094 4.354 4.340 -0.133 0.000 0.272 298 L C -1.573 175.297 176.870 0.000 0.000 1.166 298 L CA -1.309 53.547 54.840 0.026 0.000 0.880 298 L CB 0.427 42.438 42.059 -0.081 0.000 1.142 298 L HN 0.478 nan 8.230 nan 0.000 0.473 299 P HA -0.246 nan 4.420 nan 0.000 0.218 299 P C 1.349 178.670 177.300 0.035 0.000 1.154 299 P CA 1.609 64.740 63.100 0.052 0.000 0.872 299 P CB -0.146 31.608 31.700 0.090 0.000 0.790 300 H N -1.819 117.290 119.070 0.065 0.000 2.524 300 H HA 0.062 4.538 4.556 -0.134 0.000 0.282 300 H C 1.409 176.784 175.328 0.078 0.000 1.016 300 H CA 0.810 56.896 56.048 0.063 0.000 1.270 300 H CB -0.913 28.891 29.762 0.070 0.000 1.394 300 H HN 0.002 nan 8.280 nan 0.000 0.568 301 V N 1.432 121.112 119.914 -0.390 0.000 2.649 301 V HA -0.126 3.914 4.120 -0.133 0.000 0.248 301 V C 2.887 178.995 176.094 0.023 0.000 1.054 301 V CA 0.752 62.965 62.300 -0.144 0.000 1.073 301 V CB -0.404 31.358 31.823 -0.101 0.000 0.699 301 V HN 0.301 nan 8.190 nan 0.000 0.463 302 L N -0.196 120.969 121.223 -0.097 0.000 2.056 302 L HA -0.132 4.128 4.340 -0.133 0.000 0.207 302 L C 2.871 179.608 176.870 -0.222 0.000 1.078 302 L CA 1.683 56.250 54.840 -0.455 0.000 0.749 302 L CB -0.266 41.427 42.059 -0.611 0.000 0.901 302 L HN 0.262 nan 8.230 nan 0.000 0.433 303 R N -0.448 119.993 120.500 -0.099 0.000 2.073 303 R HA -0.165 4.095 4.340 -0.133 0.000 0.234 303 R C 2.294 178.595 176.300 0.001 0.000 1.134 303 R CA 1.447 57.527 56.100 -0.032 0.000 0.952 303 R CB -0.463 29.851 30.300 0.022 0.000 0.850 303 R HN 0.443 nan 8.270 nan 0.000 0.433 304 A N 1.055 123.897 122.820 0.036 0.000 1.883 304 A HA -0.245 3.995 4.320 -0.133 0.000 0.217 304 A C 2.035 179.644 177.584 0.042 0.000 1.186 304 A CA 1.640 53.712 52.037 0.059 0.000 0.624 304 A CB -0.523 18.538 19.000 0.100 0.000 0.822 304 A HN 0.420 nan 8.150 nan 0.000 0.444 305 E N -0.184 120.039 120.200 0.039 0.000 2.051 305 E HA -0.228 4.042 4.350 -0.133 0.000 0.192 305 E C 2.015 178.632 176.600 0.029 0.000 0.991 305 E CA 1.550 57.982 56.400 0.053 0.000 0.799 305 E CB -0.093 29.665 29.700 0.097 0.000 0.748 305 E HN 0.646 nan 8.360 nan 0.000 0.449 306 K N 0.357 120.753 120.400 -0.007 0.000 2.057 306 K HA -0.129 4.111 4.320 -0.133 0.000 0.207 306 K C 2.222 178.840 176.600 0.030 0.000 1.049 306 K CA 1.294 57.593 56.287 0.019 0.000 0.931 306 K CB -0.013 32.477 32.500 -0.017 0.000 0.714 306 K HN 0.008 nan 8.250 nan 0.000 0.440 307 K N 0.927 121.330 120.400 0.006 0.000 2.057 307 K HA -0.092 4.148 4.320 -0.133 0.000 0.207 307 K C 2.148 178.733 176.600 -0.025 0.000 1.049 307 K CA 0.904 57.183 56.287 -0.013 0.000 0.931 307 K CB -0.113 32.386 32.500 -0.001 0.000 0.714 307 K HN 0.133 nan 8.250 nan 0.000 0.440 308 L N 0.548 121.769 121.223 -0.003 0.000 2.027 308 L HA -0.167 4.093 4.340 -0.133 0.000 0.206 308 L C 2.414 179.271 176.870 -0.022 0.000 1.074 308 L CA 1.209 56.044 54.840 -0.009 0.000 0.745 308 L CB -0.405 41.662 42.059 0.013 0.000 0.898 308 L HN 0.184 nan 8.230 nan 0.000 0.433 309 A N -1.185 121.638 122.820 0.005 0.000 1.908 309 A HA -0.256 3.984 4.320 -0.133 0.000 0.218 309 A C 2.476 179.998 177.584 -0.103 0.000 1.181 309 A CA 2.081 54.132 52.037 0.023 0.000 0.627 309 A CB -0.801 18.279 19.000 0.132 0.000 0.818 309 A HN 0.496 nan 8.150 nan 0.000 0.445 310 S N -1.013 114.563 115.700 -0.207 0.000 2.368 310 S HA -0.084 4.306 4.470 -0.133 0.000 0.224 310 S C 1.916 176.352 174.600 -0.273 0.000 1.029 310 S CA 1.261 59.180 58.200 -0.469 0.000 0.988 310 S CB -0.337 62.679 63.200 -0.306 0.000 0.838 310 S HN 0.339 nan 8.310 nan 0.000 0.462 311 L N 1.646 122.778 121.223 -0.152 0.000 2.056 311 L HA 0.111 4.371 4.340 -0.133 0.000 0.207 311 L C 2.136 178.949 176.870 -0.095 0.000 1.078 311 L CA 1.543 56.320 54.840 -0.105 0.000 0.749 311 L CB -1.248 40.770 42.059 -0.067 0.000 0.901 311 L HN 0.415 nan 8.230 nan 0.000 0.433 312 I N -0.165 120.353 120.570 -0.088 0.000 2.226 312 I HA -0.338 3.752 4.170 -0.133 0.000 0.245 312 I C 2.615 178.686 176.117 -0.078 0.000 1.100 312 I CA 1.335 62.594 61.300 -0.069 0.000 1.374 312 I CB -0.220 37.750 38.000 -0.051 0.000 1.057 312 I HN 0.319 nan 8.210 nan 0.000 0.413 313 R N 1.074 121.505 120.500 -0.116 0.000 2.092 313 R HA -0.143 4.117 4.340 -0.133 0.000 0.231 313 R C 2.135 178.384 176.300 -0.086 0.000 1.119 313 R CA 2.035 58.071 56.100 -0.106 0.000 0.970 313 R CB -1.635 28.570 30.300 -0.160 0.000 0.864 313 R HN 0.401 nan 8.270 nan 0.000 0.440 314 T N -0.740 113.751 114.554 -0.105 0.000 2.812 314 T HA -0.008 4.262 4.350 -0.133 0.000 0.264 314 T C 1.980 176.649 174.700 -0.051 0.000 1.042 314 T CA 1.184 63.239 62.100 -0.074 0.000 1.140 314 T CB -0.371 68.449 68.868 -0.079 0.000 0.870 314 T HN 0.234 nan 8.240 nan 0.000 0.445 315 L N 0.246 121.437 121.223 -0.053 0.000 2.042 315 L HA 0.009 4.269 4.340 -0.133 0.000 0.210 315 L C 2.785 179.639 176.870 -0.027 0.000 1.076 315 L CA 1.359 56.174 54.840 -0.041 0.000 0.749 315 L CB -0.465 41.568 42.059 -0.043 0.000 0.893 315 L HN 0.303 nan 8.230 nan 0.000 0.432 316 L N -1.097 120.112 121.223 -0.024 0.000 2.179 316 L HA -0.066 4.194 4.340 -0.133 0.000 0.208 316 L C 2.407 179.286 176.870 0.015 0.000 1.096 316 L CA 0.794 55.635 54.840 0.001 0.000 0.779 316 L CB -0.458 41.595 42.059 -0.010 0.000 0.922 316 L HN 0.197 nan 8.230 nan 0.000 0.443 317 A N -0.723 122.096 122.820 -0.001 0.000 2.275 317 A HA 0.114 4.354 4.320 -0.133 0.000 0.212 317 A C 0.930 178.504 177.584 -0.017 0.000 1.201 317 A CA 0.452 52.492 52.037 0.006 0.000 0.843 317 A CB -0.371 18.638 19.000 0.016 0.000 0.873 317 A HN 0.366 nan 8.150 nan 0.000 0.492 318 T N -1.200 113.337 114.554 -0.027 0.000 2.856 318 T HA 0.654 4.924 4.350 -0.133 0.000 0.283 318 T C -3.157 171.509 174.700 -0.057 0.000 1.008 318 T CA -2.232 59.844 62.100 -0.040 0.000 0.997 318 T CB 2.282 71.127 68.868 -0.038 0.000 0.992 318 T HN 0.018 nan 8.240 nan 0.000 0.454 319 P HA 0.446 nan 4.420 nan 0.000 0.279 319 P C -2.790 174.460 177.300 -0.083 0.000 1.252 319 P CA -2.095 60.946 63.100 -0.098 0.000 0.811 319 P CB -0.221 31.421 31.700 -0.097 0.000 1.035 320 P HA 0.407 nan 4.420 nan 0.000 0.275 320 P C -0.858 176.413 177.300 -0.048 0.000 1.227 320 P CA 0.157 63.207 63.100 -0.084 0.000 0.781 320 P CB 0.512 32.132 31.700 -0.133 0.000 0.906 321 A N 1.589 124.394 122.820 -0.026 0.000 2.522 321 A HA 0.511 4.751 4.320 -0.133 0.000 0.291 321 A C -1.480 176.105 177.584 0.003 0.000 1.039 321 A CA -0.544 51.489 52.037 -0.005 0.000 0.643 321 A CB 0.447 19.441 19.000 -0.010 0.000 1.310 321 A HN 0.507 nan 8.150 nan 0.000 0.436 325 G N 1.801 110.599 108.800 -0.003 0.000 5.061 325 G HA2 0.344 4.224 3.960 -0.133 0.000 0.213 325 G HA3 0.344 4.224 3.960 -0.133 0.000 0.213 325 G C -0.507 174.392 174.900 -0.002 0.000 1.463 325 G CA 0.358 45.454 45.100 -0.007 0.000 0.617 325 G HN 0.852 nan 8.290 nan 0.000 0.289 326 N N -0.645 118.058 118.700 0.005 0.000 2.434 326 N HA 0.698 5.358 4.740 -0.133 0.000 0.266 326 N C 0.066 175.591 175.510 0.024 0.000 1.223 326 N CA 0.309 53.369 53.050 0.016 0.000 0.972 326 N CB 1.770 40.271 38.487 0.023 0.000 1.207 326 N HN 0.155 nan 8.380 nan 0.000 0.525 327 D N -0.735 119.689 120.400 0.039 0.000 3.300 327 D HA 0.149 4.710 4.640 -0.133 0.000 0.214 327 D C -0.294 176.068 176.300 0.104 0.000 1.227 327 D CA 0.411 54.451 54.000 0.067 0.000 1.341 327 D CB -0.922 39.913 40.800 0.059 0.000 0.921 327 D HN 0.648 nan 8.370 nan 0.000 0.175 328 D N -1.456 119.002 120.400 0.096 0.000 2.772 328 D HA -0.103 4.457 4.640 -0.133 0.000 0.233 328 D C -0.966 175.429 176.300 0.157 0.000 1.143 328 D CA 0.896 54.950 54.000 0.089 0.000 0.700 328 D CB -1.008 39.827 40.800 0.059 0.000 1.076 328 D HN 0.540 nan 8.370 nan 0.000 0.430 329 W N 0.917 122.216 121.300 -0.002 0.000 2.391 329 W HA 0.672 5.252 4.660 -0.134 0.000 0.312 329 W C -1.062 175.458 176.519 0.002 0.000 1.003 329 W CA -0.740 56.606 57.345 0.001 0.000 1.375 329 W CB 0.488 29.950 29.460 0.002 0.000 1.253 329 W HN 0.039 nan 8.180 nan 0.000 0.416 330 A N 4.194 126.947 122.820 -0.111 0.000 2.356 330 A HA 0.722 4.962 4.320 -0.133 0.000 0.323 330 A C -0.828 176.672 177.584 -0.140 0.000 1.119 330 A CA -0.636 51.373 52.037 -0.048 0.000 0.790 330 A CB 1.680 20.654 19.000 -0.043 0.000 1.273 330 A HN 0.707 nan 8.150 nan 0.000 0.452 331 V N 0.637 120.537 119.914 -0.024 0.000 2.220 331 V HA 0.466 4.506 4.120 -0.133 0.000 0.265 331 V C -2.307 173.775 176.094 -0.021 0.000 1.078 331 V CA -1.485 60.805 62.300 -0.017 0.000 0.872 331 V CB -0.204 31.662 31.823 0.072 0.000 1.121 331 V HN 0.738 nan 8.190 nan 0.000 0.460 332 P HA 0.229 nan 4.420 nan 0.000 0.272 332 P C 0.564 177.851 177.300 -0.022 0.000 1.230 332 P CA -0.399 62.680 63.100 -0.035 0.000 0.788 332 P CB 1.682 33.352 31.700 -0.051 0.000 0.949 333 K N 1.093 121.485 120.400 -0.014 0.000 2.283 333 K HA -0.140 4.100 4.320 -0.133 0.000 0.202 333 K C 1.871 178.463 176.600 -0.012 0.000 1.048 333 K CA 1.055 57.336 56.287 -0.009 0.000 0.948 333 K CB 0.003 32.499 32.500 -0.006 0.000 0.742 333 K HN 0.328 nan 8.250 nan 0.000 0.458 334 K N 0.085 120.474 120.400 -0.019 0.000 2.211 334 K HA -0.089 4.151 4.320 -0.133 0.000 0.203 334 K C 1.737 178.322 176.600 -0.025 0.000 1.050 334 K CA 1.065 57.339 56.287 -0.022 0.000 0.945 334 K CB -0.034 32.449 32.500 -0.027 0.000 0.732 334 K HN 0.186 nan 8.250 nan 0.000 0.451 335 A N 2.008 124.808 122.820 -0.033 0.000 2.014 335 A HA -0.119 4.121 4.320 -0.133 0.000 0.218 335 A C 1.551 179.128 177.584 -0.012 0.000 1.163 335 A CA 0.903 52.917 52.037 -0.038 0.000 0.652 335 A CB -0.293 18.668 19.000 -0.064 0.000 0.808 335 A HN 0.458 nan 8.150 nan 0.000 0.449 336 R N -0.226 120.272 120.500 -0.003 0.000 2.893 336 R HA 0.283 4.543 4.340 -0.133 0.000 0.317 336 R C -0.196 176.108 176.300 0.006 0.000 1.239 336 R CA -0.335 55.770 56.100 0.009 0.000 1.128 336 R CB -0.206 30.102 30.300 0.014 0.000 1.377 336 R HN 0.099 nan 8.270 nan 0.000 0.583 337 K N 1.256 121.657 120.400 0.002 0.000 2.310 337 K HA 0.129 4.369 4.320 -0.133 0.000 0.290 337 K C 0.180 176.784 176.600 0.007 0.000 1.077 337 K CA 0.610 56.898 56.287 0.001 0.000 0.922 337 K CB 0.708 33.206 32.500 -0.002 0.000 1.057 337 K HN 0.630 nan 8.250 nan 0.000 0.479 338 G N 3.439 112.240 108.800 0.003 0.000 2.246 338 G HA2 -0.228 3.652 3.960 -0.133 0.000 0.273 338 G HA3 -0.228 3.652 3.960 -0.133 0.000 0.273 338 G C -0.548 174.358 174.900 0.011 0.000 1.055 338 G CA -0.146 44.956 45.100 0.003 0.000 0.851 338 G HN 0.397 nan 8.290 nan 0.000 0.500 339 L N 0.554 121.783 121.223 0.010 0.000 2.322 339 L HA 0.820 5.080 4.340 -0.133 0.000 0.269 339 L C 1.046 177.917 176.870 0.001 0.000 1.012 339 L CA -0.434 54.417 54.840 0.019 0.000 0.815 339 L CB 1.747 43.824 42.059 0.029 0.000 1.295 339 L HN 0.487 nan 8.230 nan 0.000 0.438 340 S N -0.148 115.553 115.700 0.001 0.000 2.681 340 S HA 0.309 4.699 4.470 -0.133 0.000 0.270 340 S C 0.939 175.541 174.600 0.003 0.000 1.209 340 S CA -0.319 57.875 58.200 -0.011 0.000 0.988 340 S CB 0.851 64.039 63.200 -0.019 0.000 1.006 340 S HN 0.574 nan 8.310 nan 0.000 0.558 341 E N 0.652 120.851 120.200 -0.001 0.000 2.097 341 E HA -0.177 4.093 4.350 -0.133 0.000 0.196 341 E C 1.891 178.497 176.600 0.011 0.000 1.000 341 E CA 2.114 58.516 56.400 0.004 0.000 0.804 341 E CB -0.225 29.475 29.700 -0.000 0.000 0.740 341 E HN 0.797 nan 8.360 nan 0.000 0.454 342 E N -0.303 119.903 120.200 0.011 0.000 2.028 342 E HA -0.177 4.093 4.350 -0.133 0.000 0.190 342 E C 2.271 178.887 176.600 0.025 0.000 0.984 342 E CA 1.042 57.452 56.400 0.015 0.000 0.800 342 E CB -0.125 29.584 29.700 0.015 0.000 0.758 342 E HN 0.319 nan 8.360 nan 0.000 0.448 343 Q N 0.530 120.350 119.800 0.034 0.000 2.084 343 Q HA -0.145 4.116 4.340 -0.133 0.000 0.202 343 Q C 2.262 178.290 176.000 0.047 0.000 0.978 343 Q CA 1.355 57.186 55.803 0.046 0.000 0.844 343 Q CB -0.210 28.564 28.738 0.060 0.000 0.898 343 Q HN 0.232 nan 8.270 nan 0.000 0.426 344 A N 1.281 124.125 122.820 0.041 0.000 1.902 344 A HA -0.211 4.029 4.320 -0.133 0.000 0.217 344 A C 2.259 179.876 177.584 0.055 0.000 1.181 344 A CA 1.733 53.798 52.037 0.046 0.000 0.623 344 A CB -0.780 18.240 19.000 0.034 0.000 0.818 344 A HN 0.462 nan 8.150 nan 0.000 0.443 345 S N -0.164 115.560 115.700 0.041 0.000 2.440 345 S HA -0.116 4.274 4.470 -0.133 0.000 0.238 345 S C 1.647 176.273 174.600 0.043 0.000 1.010 345 S CA 1.399 59.622 58.200 0.039 0.000 0.972 345 S CB -0.857 62.355 63.200 0.020 0.000 0.774 345 S HN 0.280 nan 8.310 nan 0.000 0.501 346 V N 1.210 121.153 119.914 0.048 0.000 2.407 346 V HA -0.096 3.944 4.120 -0.133 0.000 0.248 346 V C 2.413 178.568 176.094 0.101 0.000 1.055 346 V CA 1.460 63.791 62.300 0.052 0.000 1.049 346 V CB -0.856 30.997 31.823 0.050 0.000 0.662 346 V HN 0.400 nan 8.190 nan 0.000 0.455 347 L N -0.144 121.166 121.223 0.145 0.000 2.156 347 L HA -0.091 4.169 4.340 -0.133 0.000 0.208 347 L C 2.135 179.175 176.870 0.283 0.000 1.095 347 L CA 1.709 56.706 54.840 0.261 0.000 0.770 347 L CB -0.857 41.324 42.059 0.203 0.000 0.914 347 L HN 0.314 nan 8.230 nan 0.000 0.439 348 D N -1.078 119.422 120.400 0.166 0.000 2.123 348 D HA -0.172 4.388 4.640 -0.133 0.000 0.200 348 D C 2.148 178.519 176.300 0.119 0.000 0.976 348 D CA 0.747 54.832 54.000 0.143 0.000 0.831 348 D CB 0.116 40.973 40.800 0.095 0.000 0.974 348 D HN 0.251 nan 8.370 nan 0.000 0.469 349 Q N 0.257 120.104 119.800 0.078 0.000 2.124 349 Q HA -0.084 4.176 4.340 -0.133 0.000 0.202 349 Q C 1.925 177.981 176.000 0.093 0.000 0.977 349 Q CA 0.567 56.401 55.803 0.052 0.000 0.850 349 Q CB -0.209 28.493 28.738 -0.060 0.000 0.901 349 Q HN 0.093 nan 8.270 nan 0.000 0.429 350 L N -0.136 121.069 121.223 -0.030 0.000 2.201 350 L HA 0.096 4.356 4.340 -0.133 0.000 0.212 350 L C 0.312 176.888 176.870 -0.491 0.000 1.105 350 L CA 1.015 55.685 54.840 -0.283 0.000 0.775 350 L CB -1.310 40.514 42.059 -0.391 0.000 0.913 350 L HN 0.130 nan 8.230 nan 0.000 0.440 351 A N -0.445 122.225 122.820 -0.249 0.000 2.473 351 A HA 0.452 4.692 4.320 -0.133 0.000 0.282 351 A C 1.374 178.864 177.584 -0.157 0.000 1.163 351 A CA 0.411 52.345 52.037 -0.171 0.000 0.827 351 A CB -1.119 17.957 19.000 0.126 0.000 1.098 351 A HN 0.715 nan 8.150 nan 0.000 0.515 352 G N 2.515 111.164 108.800 -0.252 0.000 2.198 352 G HA2 -0.195 3.685 3.960 -0.133 0.000 0.257 352 G HA3 -0.195 3.685 3.960 -0.133 0.000 0.257 352 G C -0.246 174.290 174.900 -0.607 0.000 1.042 352 G CA 0.749 45.651 45.100 -0.330 0.000 0.791 352 G HN 1.242 nan 8.290 nan 0.000 0.502 353 H N -2.152 116.812 119.070 -0.176 0.000 2.759 353 H HA 0.548 5.024 4.556 -0.133 0.000 0.354 353 H C 1.042 176.261 175.328 -0.182 0.000 1.074 353 H CA -0.958 55.003 56.048 -0.146 0.000 1.226 353 H CB 1.259 30.950 29.762 -0.118 0.000 1.648 353 H HN 0.060 nan 8.280 nan 0.000 0.529 354 R N 1.411 121.890 120.500 -0.035 0.000 2.127 354 R HA 0.164 4.424 4.340 -0.133 0.000 0.217 354 R C -0.092 176.171 176.300 -0.062 0.000 1.074 354 R CA 0.552 56.608 56.100 -0.074 0.000 0.991 354 R CB 0.562 30.827 30.300 -0.060 0.000 0.895 354 R HN 0.372 nan 8.270 nan 0.000 0.450 355 L N 1.688 122.890 121.223 -0.035 0.000 2.319 355 L HA 0.427 4.687 4.340 -0.133 0.000 0.281 355 L C -1.393 175.443 176.870 -0.056 0.000 1.005 355 L CA -0.665 54.148 54.840 -0.047 0.000 0.828 355 L CB 1.791 43.825 42.059 -0.042 0.000 1.227 355 L HN -0.180 nan 8.230 nan 0.000 0.415 356 V N 4.888 124.762 119.914 -0.067 0.000 2.789 356 V HA 0.533 4.573 4.120 -0.133 0.000 0.311 356 V C -0.444 175.614 176.094 -0.060 0.000 1.073 356 V CA -0.650 61.604 62.300 -0.077 0.000 0.921 356 V CB 2.501 34.275 31.823 -0.081 0.000 1.009 356 V HN 0.418 nan 8.190 nan 0.000 0.426 357 V N 4.732 124.610 119.914 -0.059 0.000 2.555 357 V HA 0.522 4.562 4.120 -0.133 0.000 0.302 357 V C -0.468 175.605 176.094 -0.034 0.000 1.038 357 V CA -0.630 61.644 62.300 -0.044 0.000 0.887 357 V CB 1.994 33.791 31.823 -0.044 0.000 0.991 357 V HN 0.678 nan 8.190 nan 0.000 0.434 358 L N 5.173 126.383 121.223 -0.022 0.000 2.316 358 L HA 0.666 4.926 4.340 -0.133 0.000 0.280 358 L C 0.056 176.922 176.870 -0.006 0.000 1.006 358 L CA -0.027 54.806 54.840 -0.011 0.000 0.836 358 L CB 1.781 43.839 42.059 -0.002 0.000 1.221 358 L HN 0.963 nan 8.230 nan 0.000 0.418 359 T N 0.722 115.274 114.554 -0.004 0.000 2.940 359 T HA 0.934 5.204 4.350 -0.133 0.000 0.288 359 T C -0.169 174.540 174.700 0.015 0.000 1.033 359 T CA -0.562 61.540 62.100 0.003 0.000 1.033 359 T CB 2.289 71.154 68.868 -0.006 0.000 1.079 359 T HN 0.846 nan 8.240 nan 0.000 0.496 360 G N -0.262 108.556 108.800 0.030 0.000 2.429 360 G HA2 0.541 4.421 3.960 -0.133 0.000 0.300 360 G HA3 0.541 4.421 3.960 -0.133 0.000 0.300 360 G C -0.209 174.742 174.900 0.084 0.000 1.598 360 G CA -0.319 44.810 45.100 0.049 0.000 0.863 360 G HN 0.977 nan 8.290 nan 0.000 0.614 361 G N 0.494 109.371 108.800 0.128 0.000 2.588 361 G HA2 0.610 4.490 3.960 -0.133 0.000 0.278 361 G HA3 0.610 4.490 3.960 -0.133 0.000 0.278 361 G C -0.409 174.581 174.900 0.149 0.000 1.307 361 G CA -0.372 44.858 45.100 0.217 0.000 1.016 361 G HN 0.479 nan 8.290 nan 0.000 0.503 362 P HA -0.070 nan 4.420 nan 0.000 0.218 362 P C 1.800 179.101 177.300 0.002 0.000 1.149 362 P CA 1.660 64.765 63.100 0.008 0.000 0.817 362 P CB -0.088 31.569 31.700 -0.073 0.000 0.785 363 G N -0.013 108.832 108.800 0.075 0.000 2.448 363 G HA2 -0.109 3.771 3.960 -0.133 0.000 0.218 363 G HA3 -0.109 3.771 3.960 -0.133 0.000 0.218 363 G C 0.880 175.848 174.900 0.114 0.000 1.135 363 G CA 0.946 46.097 45.100 0.086 0.000 0.784 363 G HN 0.435 nan 8.290 nan 0.000 0.543 364 T N -1.970 112.657 114.554 0.121 0.000 2.640 364 T HA 0.421 4.691 4.350 -0.133 0.000 0.316 364 T C 0.855 175.571 174.700 0.027 0.000 1.036 364 T CA 0.126 62.319 62.100 0.154 0.000 1.009 364 T CB 1.519 70.453 68.868 0.110 0.000 1.017 364 T HN 0.278 nan 8.240 nan 0.000 0.530 365 G N 0.087 108.972 108.800 0.141 0.000 4.662 365 G HA2 0.320 4.200 3.960 -0.133 0.000 0.328 365 G HA3 0.320 4.200 3.960 -0.133 0.000 0.328 365 G C 0.612 175.526 174.900 0.024 0.000 1.451 365 G CA -0.759 44.340 45.100 -0.002 0.000 1.154 365 G HN 0.729 nan 8.290 nan 0.000 0.547 366 K N 0.453 120.842 120.400 -0.018 0.000 2.103 366 K HA -0.103 4.137 4.320 -0.133 0.000 0.204 366 K C 2.804 179.394 176.600 -0.018 0.000 1.052 366 K CA 1.397 57.681 56.287 -0.005 0.000 0.945 366 K CB 0.122 32.616 32.500 -0.011 0.000 0.722 366 K HN 0.511 nan 8.250 nan 0.000 0.443 367 S N 0.599 116.270 115.700 -0.049 0.000 2.353 367 S HA -0.227 4.163 4.470 -0.133 0.000 0.222 367 S C 2.227 176.815 174.600 -0.021 0.000 1.035 367 S CA 2.092 60.264 58.200 -0.048 0.000 1.025 367 S CB -0.949 62.203 63.200 -0.081 0.000 0.902 367 S HN 0.299 nan 8.310 nan 0.000 0.440 368 T N 1.090 115.639 114.554 -0.008 0.000 2.821 368 T HA -0.066 4.204 4.350 -0.133 0.000 0.267 368 T C 1.812 176.536 174.700 0.041 0.000 1.046 368 T CA 1.973 64.091 62.100 0.031 0.000 1.139 368 T CB -1.072 67.850 68.868 0.090 0.000 0.871 368 T HN 0.604 nan 8.240 nan 0.000 0.454 369 T N 1.017 115.598 114.554 0.044 0.000 2.812 369 T HA -0.052 4.218 4.350 -0.133 0.000 0.264 369 T C 2.125 176.848 174.700 0.039 0.000 1.042 369 T CA 1.736 63.864 62.100 0.048 0.000 1.140 369 T CB -0.749 68.149 68.868 0.049 0.000 0.870 369 T HN 0.387 nan 8.240 nan 0.000 0.445 370 T N 1.603 116.171 114.554 0.024 0.000 2.788 370 T HA -0.059 4.212 4.350 -0.133 0.000 0.268 370 T C 1.967 176.679 174.700 0.019 0.000 1.044 370 T CA 1.008 63.119 62.100 0.018 0.000 1.139 370 T CB -0.112 68.755 68.868 -0.002 0.000 0.867 370 T HN 0.309 nan 8.240 nan 0.000 0.454 371 K N 0.691 121.099 120.400 0.013 0.000 2.097 371 K HA 0.033 4.273 4.320 -0.133 0.000 0.205 371 K C 2.525 179.133 176.600 0.015 0.000 1.050 371 K CA 1.046 57.339 56.287 0.009 0.000 0.938 371 K CB -0.235 32.268 32.500 0.004 0.000 0.718 371 K HN 0.287 nan 8.250 nan 0.000 0.442 372 A N 0.665 123.500 122.820 0.024 0.000 1.933 372 A HA -0.104 4.136 4.320 -0.133 0.000 0.218 372 A C 2.198 179.801 177.584 0.031 0.000 1.175 372 A CA 1.375 53.426 52.037 0.023 0.000 0.628 372 A CB -0.468 18.553 19.000 0.034 0.000 0.814 372 A HN 0.138 nan 8.150 nan 0.000 0.444 373 V N -0.238 119.715 119.914 0.065 0.000 2.270 373 V HA -0.217 3.823 4.120 -0.133 0.000 0.245 373 V C 3.058 179.207 176.094 0.092 0.000 1.043 373 V CA 1.954 64.328 62.300 0.124 0.000 1.014 373 V CB -1.268 30.642 31.823 0.145 0.000 0.645 373 V HN 0.592 nan 8.190 nan 0.000 0.447 374 A N -0.214 122.639 122.820 0.055 0.000 1.933 374 A HA -0.232 4.008 4.320 -0.133 0.000 0.218 374 A C 1.956 179.541 177.584 0.001 0.000 1.175 374 A CA 1.950 54.008 52.037 0.035 0.000 0.628 374 A CB -0.590 18.420 19.000 0.016 0.000 0.814 374 A HN 0.554 nan 8.150 nan 0.000 0.444 375 D N -0.156 120.235 120.400 -0.015 0.000 2.084 375 D HA -0.135 4.425 4.640 -0.133 0.000 0.194 375 D C 1.926 178.174 176.300 -0.087 0.000 0.990 375 D CA 1.011 54.988 54.000 -0.039 0.000 0.826 375 D CB -0.410 40.370 40.800 -0.032 0.000 0.971 375 D HN 0.308 nan 8.370 nan 0.000 0.453 376 L N 0.834 121.980 121.223 -0.127 0.000 2.093 376 L HA -0.064 4.196 4.340 -0.133 0.000 0.208 376 L C 2.003 178.633 176.870 -0.401 0.000 1.085 376 L CA 1.644 56.322 54.840 -0.269 0.000 0.755 376 L CB -0.861 41.007 42.059 -0.318 0.000 0.904 376 L HN -0.072 nan 8.230 nan 0.000 0.435 377 A N -0.329 122.309 122.820 -0.302 0.000 1.930 377 A HA -0.181 4.059 4.320 -0.133 0.000 0.217 377 A C 2.068 179.601 177.584 -0.085 0.000 1.175 377 A CA 1.347 53.258 52.037 -0.211 0.000 0.627 377 A CB -0.369 18.719 19.000 0.146 0.000 0.815 377 A HN 0.591 nan 8.150 nan 0.000 0.443 378 E N 0.143 120.310 120.200 -0.055 0.000 2.158 378 E HA -0.106 4.164 4.350 -0.133 0.000 0.191 378 E C 2.295 178.865 176.600 -0.050 0.000 0.982 378 E CA 1.030 57.415 56.400 -0.026 0.000 0.823 378 E CB -0.107 29.588 29.700 -0.008 0.000 0.766 378 E HN 0.781 nan 8.360 nan 0.000 0.468 379 S N 0.976 116.624 115.700 -0.087 0.000 2.402 379 S HA -0.094 4.296 4.470 -0.133 0.000 0.229 379 S C 1.939 176.480 174.600 -0.098 0.000 1.021 379 S CA 0.648 58.794 58.200 -0.089 0.000 0.974 379 S CB -0.343 62.791 63.200 -0.109 0.000 0.800 379 S HN 0.180 nan 8.310 nan 0.000 0.484 380 L N 1.066 122.206 121.223 -0.140 0.000 2.610 380 L HA 0.251 4.511 4.340 -0.133 0.000 0.232 380 L C 2.021 178.868 176.870 -0.040 0.000 1.149 380 L CA 0.510 55.281 54.840 -0.115 0.000 0.872 380 L CB -0.587 41.357 42.059 -0.192 0.000 0.992 380 L HN 0.669 nan 8.230 nan 0.000 0.447 381 G N -0.416 108.369 108.800 -0.026 0.000 2.194 381 G HA2 -0.239 3.641 3.960 -0.133 0.000 0.236 381 G HA3 -0.239 3.641 3.960 -0.133 0.000 0.236 381 G C 0.288 175.205 174.900 0.028 0.000 0.987 381 G CA -0.342 44.760 45.100 0.003 0.000 0.635 381 G HN 0.173 nan 8.290 nan 0.000 0.520 382 L N 0.729 121.979 121.223 0.045 0.000 2.452 382 L HA 0.499 4.759 4.340 -0.133 0.000 0.267 382 L C 0.832 177.755 176.870 0.088 0.000 1.188 382 L CA -0.366 54.527 54.840 0.088 0.000 0.821 382 L CB 0.819 42.972 42.059 0.157 0.000 1.102 382 L HN 0.317 nan 8.230 nan 0.000 0.470 383 E N 1.468 121.732 120.200 0.106 0.000 2.130 383 E HA 0.325 4.595 4.350 -0.133 0.000 0.284 383 E C -1.313 175.402 176.600 0.190 0.000 1.018 383 E CA -0.495 55.988 56.400 0.139 0.000 0.817 383 E CB 1.123 30.901 29.700 0.129 0.000 1.078 383 E HN 0.285 nan 8.360 nan 0.000 0.396 384 V N 4.152 124.154 119.914 0.148 0.000 2.427 384 V HA 0.614 4.654 4.120 -0.133 0.000 0.286 384 V C 0.579 176.651 176.094 -0.036 0.000 1.034 384 V CA -0.410 61.937 62.300 0.078 0.000 0.893 384 V CB 1.656 33.508 31.823 0.049 0.000 0.982 384 V HN 0.780 nan 8.190 nan 0.000 0.452 385 G N 4.444 113.072 108.800 -0.287 0.000 2.416 385 G HA2 0.698 4.578 3.960 -0.133 0.000 0.324 385 G HA3 0.698 4.578 3.960 -0.133 0.000 0.324 385 G C -1.365 173.289 174.900 -0.410 0.000 1.194 385 G CA -0.475 44.158 45.100 -0.779 0.000 0.922 385 G HN 0.477 nan 8.290 nan 0.000 0.467 386 L N 1.053 122.096 121.223 -0.300 0.000 2.346 386 L HA 0.729 4.989 4.340 -0.133 0.000 0.274 386 L C -0.221 176.562 176.870 -0.144 0.000 1.007 386 L CA -0.689 54.051 54.840 -0.167 0.000 0.818 386 L CB 2.229 44.227 42.059 -0.101 0.000 1.284 386 L HN 0.547 nan 8.230 nan 0.000 0.424 387 C N 2.360 121.596 119.300 -0.106 0.000 2.871 387 C HA 0.916 5.296 4.460 -0.133 0.000 0.378 387 C C -0.725 174.225 174.990 -0.067 0.000 1.052 387 C CA -0.352 58.613 59.018 -0.088 0.000 1.250 387 C CB 0.563 28.240 27.740 -0.105 0.000 1.689 387 C HN 1.001 nan 8.230 nan 0.000 0.506 388 A N 5.830 128.617 122.820 -0.056 0.000 2.566 388 A HA 0.883 5.123 4.320 -0.133 0.000 0.292 388 A C -2.585 174.967 177.584 -0.053 0.000 1.112 388 A CA -0.985 51.019 52.037 -0.055 0.000 0.707 388 A CB 1.352 20.317 19.000 -0.058 0.000 1.302 388 A HN 0.466 nan 8.150 nan 0.000 0.409 389 P HA -0.010 nan 4.420 nan 0.000 0.221 389 P C 0.725 177.961 177.300 -0.107 0.000 1.150 389 P CA 1.904 64.972 63.100 -0.054 0.000 0.800 389 P CB 0.057 31.735 31.700 -0.037 0.000 0.787 390 T N -5.740 108.750 114.554 -0.106 0.000 2.940 390 T HA 0.580 4.850 4.350 -0.133 0.000 0.288 390 T C 1.417 176.049 174.700 -0.112 0.000 1.045 390 T CA -0.336 61.684 62.100 -0.134 0.000 1.018 390 T CB 1.486 70.296 68.868 -0.096 0.000 1.151 390 T HN -0.057 nan 8.240 nan 0.000 0.529 391 G N 0.103 108.839 108.800 -0.106 0.000 2.421 391 G HA2 -0.036 3.844 3.960 -0.133 0.000 0.217 391 G HA3 -0.036 3.844 3.960 -0.133 0.000 0.217 391 G C 1.390 176.258 174.900 -0.054 0.000 1.143 391 G CA 0.100 45.163 45.100 -0.061 0.000 0.784 391 G HN 0.677 nan 8.290 nan 0.000 0.541 392 K N 0.587 120.945 120.400 -0.071 0.000 2.116 392 K HA 0.141 4.381 4.320 -0.133 0.000 0.203 392 K C 2.928 179.463 176.600 -0.109 0.000 1.052 392 K CA 0.828 57.056 56.287 -0.097 0.000 0.952 392 K CB -0.192 32.224 32.500 -0.138 0.000 0.729 392 K HN 0.236 nan 8.250 nan 0.000 0.446 393 A N 1.893 124.652 122.820 -0.103 0.000 1.883 393 A HA -0.155 4.085 4.320 -0.133 0.000 0.217 393 A C 2.426 179.965 177.584 -0.075 0.000 1.186 393 A CA 2.083 54.065 52.037 -0.092 0.000 0.624 393 A CB -0.660 18.291 19.000 -0.082 0.000 0.822 393 A HN 0.311 nan 8.150 nan 0.000 0.444 394 A N -0.117 122.664 122.820 -0.065 0.000 1.865 394 A HA -0.220 4.020 4.320 -0.133 0.000 0.217 394 A C 2.237 179.794 177.584 -0.046 0.000 1.191 394 A CA 2.159 54.166 52.037 -0.050 0.000 0.623 394 A CB -0.621 18.357 19.000 -0.036 0.000 0.826 394 A HN 0.591 nan 8.150 nan 0.000 0.444 395 R N -0.523 119.950 120.500 -0.045 0.000 2.096 395 R HA -0.206 4.054 4.340 -0.133 0.000 0.240 395 R C 2.436 178.705 176.300 -0.052 0.000 1.139 395 R CA 2.083 58.158 56.100 -0.042 0.000 0.952 395 R CB -0.350 29.924 30.300 -0.043 0.000 0.854 395 R HN 0.541 nan 8.270 nan 0.000 0.436 396 R N 0.304 120.763 120.500 -0.070 0.000 2.096 396 R HA -0.117 4.143 4.340 -0.133 0.000 0.235 396 R C 2.384 178.647 176.300 -0.061 0.000 1.127 396 R CA 1.573 57.628 56.100 -0.075 0.000 0.968 396 R CB -0.342 29.899 30.300 -0.097 0.000 0.861 396 R HN 0.391 nan 8.270 nan 0.000 0.440 397 L N -0.095 121.094 121.223 -0.058 0.000 2.083 397 L HA -0.095 4.165 4.340 -0.133 0.000 0.209 397 L C 2.192 179.037 176.870 -0.041 0.000 1.083 397 L CA 1.726 56.536 54.840 -0.050 0.000 0.752 397 L CB -0.642 41.386 42.059 -0.051 0.000 0.899 397 L HN 0.445 nan 8.230 nan 0.000 0.433 398 G N -0.783 107.994 108.800 -0.038 0.000 2.418 398 G HA2 -0.258 3.622 3.960 -0.133 0.000 0.217 398 G HA3 -0.258 3.622 3.960 -0.133 0.000 0.217 398 G C 1.312 176.196 174.900 -0.026 0.000 1.158 398 G CA 0.667 45.750 45.100 -0.029 0.000 0.771 398 G HN 0.443 nan 8.290 nan 0.000 0.545 399 E N -0.014 120.167 120.200 -0.031 0.000 2.051 399 E HA -0.125 4.145 4.350 -0.133 0.000 0.192 399 E C 2.838 179.420 176.600 -0.030 0.000 0.991 399 E CA 1.608 57.990 56.400 -0.030 0.000 0.799 399 E CB -0.206 29.471 29.700 -0.038 0.000 0.748 399 E HN 0.451 nan 8.360 nan 0.000 0.449 400 V N -0.416 119.476 119.914 -0.036 0.000 2.719 400 V HA -0.114 3.926 4.120 -0.133 0.000 0.252 400 V C 2.265 178.344 176.094 -0.025 0.000 1.065 400 V CA 1.822 64.101 62.300 -0.035 0.000 1.086 400 V CB -0.830 30.966 31.823 -0.045 0.000 0.700 400 V HN 0.316 nan 8.190 nan 0.000 0.467 401 T N -2.822 111.718 114.554 -0.024 0.000 3.067 401 T HA 0.328 4.598 4.350 -0.133 0.000 0.257 401 T C 1.719 176.412 174.700 -0.013 0.000 1.105 401 T CA 0.791 62.881 62.100 -0.017 0.000 1.104 401 T CB -0.078 68.779 68.868 -0.018 0.000 0.925 401 T HN 1.684 nan 8.240 nan 0.000 0.498 402 G N 1.753 110.544 108.800 -0.014 0.000 2.221 402 G HA2 -0.245 3.635 3.960 -0.133 0.000 0.265 402 G HA3 -0.245 3.635 3.960 -0.133 0.000 0.265 402 G C 0.059 174.955 174.900 -0.007 0.000 1.041 402 G CA 0.307 45.401 45.100 -0.010 0.000 0.807 402 G HN 0.744 nan 8.290 nan 0.000 0.502 403 R N -1.563 118.932 120.500 -0.010 0.000 3.121 403 R HA 0.734 4.994 4.340 -0.133 0.000 0.242 403 R C -0.619 175.677 176.300 -0.007 0.000 1.402 403 R CA -0.581 55.515 56.100 -0.006 0.000 1.042 403 R CB 0.635 30.930 30.300 -0.008 0.000 1.410 403 R HN 0.116 nan 8.270 nan 0.000 0.494 404 T N 0.733 115.285 114.554 -0.003 0.000 2.771 404 T HA 0.624 4.894 4.350 -0.133 0.000 0.281 404 T C -0.601 174.089 174.700 -0.016 0.000 0.982 404 T CA -0.647 61.452 62.100 -0.001 0.000 0.978 404 T CB 1.566 70.444 68.868 0.017 0.000 0.930 404 T HN 0.604 nan 8.240 nan 0.000 0.447 405 A N 2.675 125.483 122.820 -0.020 0.000 2.350 405 A HA 0.922 5.162 4.320 -0.133 0.000 0.318 405 A C -0.143 177.431 177.584 -0.016 0.000 1.132 405 A CA -0.714 51.301 52.037 -0.037 0.000 0.811 405 A CB 1.406 20.380 19.000 -0.044 0.000 1.313 405 A HN 0.704 nan 8.150 nan 0.000 0.454 406 S N -0.649 115.039 115.700 -0.020 0.000 2.632 406 S HA 0.686 5.076 4.470 -0.133 0.000 0.289 406 S C 0.008 174.615 174.600 0.012 0.000 1.115 406 S CA -0.125 58.087 58.200 0.019 0.000 0.889 406 S CB 1.646 64.878 63.200 0.053 0.000 1.116 406 S HN 1.167 nan 8.310 nan 0.000 0.486 407 T N -0.643 113.935 114.554 0.040 0.000 2.903 407 T HA 0.194 4.464 4.350 -0.133 0.000 0.314 407 T C 1.425 176.164 174.700 0.065 0.000 1.078 407 T CA -0.565 61.549 62.100 0.022 0.000 1.114 407 T CB 0.198 69.061 68.868 -0.009 0.000 0.987 407 T HN 0.245 nan 8.240 nan 0.000 0.548 408 V N 2.028 121.961 119.914 0.032 0.000 2.469 408 V HA -0.192 3.848 4.120 -0.133 0.000 0.251 408 V C 2.455 178.587 176.094 0.063 0.000 1.064 408 V CA 2.081 64.379 62.300 -0.004 0.000 1.066 408 V CB -1.211 30.562 31.823 -0.084 0.000 0.667 408 V HN 0.971 nan 8.190 nan 0.000 0.461 409 H N -0.560 118.605 119.070 0.158 0.000 2.395 409 H HA 0.011 4.487 4.556 -0.134 0.000 0.299 409 H C 2.507 178.102 175.328 0.445 0.000 1.070 409 H CA 1.359 57.643 56.048 0.393 0.000 1.356 409 H CB -0.053 29.985 29.762 0.461 0.000 1.401 409 H HN 0.297 nan 8.280 nan 0.000 0.524 410 R N 0.147 120.922 120.500 0.459 0.000 2.070 410 R HA -0.110 4.150 4.340 -0.133 0.000 0.232 410 R C 2.300 178.787 176.300 0.312 0.000 1.138 410 R CA 1.397 57.709 56.100 0.355 0.000 0.936 410 R CB -0.685 29.770 30.300 0.258 0.000 0.839 410 R HN 0.250 nan 8.270 nan 0.000 0.429 411 L N 1.219 122.584 121.223 0.236 0.000 2.089 411 L HA -0.203 4.057 4.340 -0.133 0.000 0.213 411 L C 1.829 178.896 176.870 0.327 0.000 1.079 411 L CA 1.492 56.467 54.840 0.226 0.000 0.758 411 L CB -0.089 42.017 42.059 0.078 0.000 0.891 411 L HN 0.225 nan 8.230 nan 0.000 0.433 412 L N -0.231 121.188 121.223 0.326 0.000 2.591 412 L HA 0.183 4.443 4.340 -0.133 0.000 0.228 412 L C 1.043 178.240 176.870 0.545 0.000 1.133 412 L CA 0.380 55.459 54.840 0.398 0.000 0.880 412 L CB -0.548 41.588 42.059 0.128 0.000 1.033 412 L HN 0.503 nan 8.230 nan 0.000 0.450 413 G N 0.195 109.278 108.800 0.472 0.000 2.473 413 G HA2 -0.333 3.547 3.960 -0.133 0.000 0.289 413 G HA3 -0.333 3.547 3.960 -0.133 0.000 0.289 413 G C -0.510 174.577 174.900 0.312 0.000 1.084 413 G CA -0.330 44.942 45.100 0.286 0.000 1.215 413 G HN 0.239 nan 8.290 nan 0.000 0.527 414 Y N 0.886 121.334 120.300 0.246 0.000 2.334 414 Y HA 0.679 5.149 4.550 -0.133 0.000 0.328 414 Y C 0.776 176.699 175.900 0.039 0.000 1.130 414 Y CA 0.468 58.654 58.100 0.144 0.000 1.163 414 Y CB 1.700 40.339 38.460 0.298 0.000 1.207 414 Y HN 0.776 nan 8.280 nan 0.000 0.471 415 G N 4.274 112.607 108.800 -0.777 0.000 2.561 415 G HA2 0.238 4.118 3.960 -0.133 0.000 0.310 415 G HA3 0.238 4.118 3.960 -0.133 0.000 0.310 415 G C -2.629 171.929 174.900 -0.570 0.000 1.292 415 G CA -0.942 43.847 45.100 -0.519 0.000 0.811 415 G HN 0.288 nan 8.290 nan 0.000 0.482 416 P HA -0.072 nan 4.420 nan 0.000 0.225 416 P C 1.333 178.413 177.300 -0.367 0.000 1.148 416 P CA 1.085 63.907 63.100 -0.464 0.000 0.779 416 P CB 0.241 31.732 31.700 -0.349 0.000 0.780 417 Q N 0.363 119.994 119.800 -0.282 0.000 2.451 417 Q HA 0.148 4.408 4.340 -0.133 0.000 0.206 417 Q C 0.957 176.846 176.000 -0.186 0.000 0.947 417 Q CA 1.224 56.908 55.803 -0.197 0.000 0.937 417 Q CB -0.802 27.853 28.738 -0.138 0.000 1.025 417 Q HN 0.207 nan 8.270 nan 0.000 0.511 418 G N 0.689 109.309 108.800 -0.299 0.000 2.512 418 G HA2 -0.200 3.681 3.960 -0.133 0.000 0.210 418 G HA3 -0.200 3.681 3.960 -0.133 0.000 0.210 418 G C -1.060 173.723 174.900 -0.196 0.000 1.295 418 G CA -0.447 44.505 45.100 -0.246 0.000 0.934 418 G HN 0.221 nan 8.290 nan 0.000 0.554 419 F N 1.858 121.930 119.950 0.203 0.000 2.424 419 F HA 0.514 4.961 4.527 -0.134 0.000 0.356 419 F C 1.898 177.730 175.800 0.053 0.000 1.110 419 F CA 0.029 58.145 58.000 0.192 0.000 1.161 419 F CB 1.512 40.628 39.000 0.194 0.000 1.115 419 F HN 0.607 nan 8.300 nan 0.000 0.507 420 R N 2.246 122.829 120.500 0.138 0.000 2.091 420 R HA -0.114 4.146 4.340 -0.133 0.000 0.238 420 R C -0.224 176.018 176.300 -0.098 0.000 1.136 420 R CA 1.211 57.265 56.100 -0.077 0.000 0.959 420 R CB -0.163 29.976 30.300 -0.268 0.000 0.856 420 R HN 0.655 nan 8.270 nan 0.000 0.437 421 H N 0.180 119.349 119.070 0.165 0.000 2.502 421 H HA 0.214 4.689 4.556 -0.133 0.000 0.327 421 H C -0.251 175.120 175.328 0.071 0.000 1.099 421 H CA -0.281 55.823 56.048 0.092 0.000 1.323 421 H CB 1.188 31.002 29.762 0.086 0.000 1.450 421 H HN 0.456 nan 8.280 nan 0.000 0.502 422 N N -0.797 117.998 118.700 0.159 0.000 3.496 422 N HA -0.085 4.575 4.740 -0.133 0.000 0.331 422 N C 0.718 176.266 175.510 0.065 0.000 1.532 422 N CA -0.725 52.382 53.050 0.094 0.000 0.863 422 N CB 0.205 38.741 38.487 0.081 0.000 1.927 422 N HN 0.614 nan 8.380 nan 0.000 0.529 423 H N -0.446 118.652 119.070 0.047 0.000 2.423 423 H HA 0.125 4.601 4.556 -0.133 0.000 0.297 423 H C 0.992 176.341 175.328 0.035 0.000 1.075 423 H CA 1.275 57.342 56.048 0.031 0.000 1.342 423 H CB -0.036 29.738 29.762 0.020 0.000 1.395 423 H HN 0.404 nan 8.280 nan 0.000 0.530 424 L N 0.180 121.073 121.223 -0.551 0.000 2.131 424 L HA 0.041 4.301 4.340 -0.133 0.000 0.206 424 L C 1.131 177.938 176.870 -0.104 0.000 1.087 424 L CA 1.042 55.684 54.840 -0.331 0.000 0.767 424 L CB 0.094 41.929 42.059 -0.374 0.000 0.917 424 L HN 0.258 nan 8.230 nan 0.000 0.441 425 E N 0.305 120.478 120.200 -0.044 0.000 2.873 425 E HA 0.252 4.522 4.350 -0.133 0.000 0.232 425 E C -2.434 174.253 176.600 0.144 0.000 1.123 425 E CA -2.222 54.208 56.400 0.050 0.000 0.809 425 E CB 1.279 31.013 29.700 0.057 0.000 1.366 425 E HN -0.066 nan 8.360 nan 0.000 0.400 426 P HA -0.050 nan 4.420 nan 0.000 0.267 426 P C -0.788 176.459 177.300 -0.089 0.000 1.201 426 P CA 0.064 63.184 63.100 0.032 0.000 0.775 426 P CB 0.645 32.344 31.700 -0.000 0.000 0.854 427 A N 4.696 127.382 122.820 -0.223 0.000 2.522 427 A HA 0.209 4.449 4.320 -0.133 0.000 0.256 427 A C -1.694 175.635 177.584 -0.424 0.000 1.086 427 A CA -0.886 50.826 52.037 -0.541 0.000 0.763 427 A CB -0.958 17.967 19.000 -0.125 0.000 1.024 427 A HN 0.404 nan 8.150 nan 0.000 0.502 428 P HA 0.171 nan 4.420 nan 0.000 0.231 428 P C -1.393 175.433 177.300 -0.789 0.000 1.756 428 P CA 0.587 63.324 63.100 -0.605 0.000 0.990 428 P CB -0.688 30.705 31.700 -0.512 0.000 1.973 429 Y N -0.417 119.845 120.300 -0.063 0.000 2.421 429 Y HA 0.227 4.698 4.550 -0.132 0.000 0.339 429 Y C 1.205 177.096 175.900 -0.014 0.000 0.996 429 Y CA -0.864 57.217 58.100 -0.032 0.000 1.046 429 Y CB 1.367 39.805 38.460 -0.037 0.000 1.226 429 Y HN -0.101 nan 8.280 nan 0.000 0.445 430 D N 1.566 122.058 120.400 0.153 0.000 2.224 430 D HA -0.021 4.539 4.640 -0.133 0.000 0.205 430 D C -0.137 176.227 176.300 0.107 0.000 0.965 430 D CA 1.259 55.323 54.000 0.107 0.000 0.852 430 D CB 0.641 41.508 40.800 0.111 0.000 0.947 430 D HN 0.297 nan 8.370 nan 0.000 0.494 431 L N 0.821 122.123 121.223 0.132 0.000 2.439 431 L HA 0.333 4.593 4.340 -0.133 0.000 0.270 431 L C -1.519 175.378 176.870 0.045 0.000 0.972 431 L CA -0.485 54.407 54.840 0.086 0.000 0.836 431 L CB 1.909 44.049 42.059 0.135 0.000 1.255 431 L HN -0.244 nan 8.230 nan 0.000 0.404 432 L N 5.860 127.084 121.223 0.001 0.000 2.275 432 L HA 0.505 4.765 4.340 -0.133 0.000 0.288 432 L C -0.646 176.187 176.870 -0.061 0.000 1.046 432 L CA -0.625 54.175 54.840 -0.068 0.000 0.805 432 L CB 1.519 43.544 42.059 -0.057 0.000 1.193 432 L HN 0.494 nan 8.230 nan 0.000 0.426 433 I N 4.739 125.259 120.570 -0.084 0.000 2.330 433 I HA 0.328 4.418 4.170 -0.133 0.000 0.289 433 I C -0.105 175.967 176.117 -0.074 0.000 1.001 433 I CA -0.480 60.785 61.300 -0.059 0.000 1.193 433 I CB 1.681 39.655 38.000 -0.043 0.000 1.345 433 I HN 0.163 nan 8.210 nan 0.000 0.461 434 V N 5.274 125.152 119.914 -0.060 0.000 2.448 434 V HA 0.424 4.464 4.120 -0.133 0.000 0.295 434 V C -0.269 175.797 176.094 -0.047 0.000 1.025 434 V CA -0.642 61.622 62.300 -0.060 0.000 0.859 434 V CB 2.291 34.077 31.823 -0.062 0.000 0.988 434 V HN 0.620 nan 8.190 nan 0.000 0.431 435 D N 2.442 122.813 120.400 -0.047 0.000 2.272 435 D HA 0.412 4.972 4.640 -0.133 0.000 0.247 435 D C 0.326 176.603 176.300 -0.038 0.000 0.990 435 D CA -0.118 53.858 54.000 -0.040 0.000 0.931 435 D CB 1.252 42.025 40.800 -0.044 0.000 1.195 435 D HN 0.619 nan 8.370 nan 0.000 0.477 436 E N 0.957 121.138 120.200 -0.031 0.000 2.513 436 E HA -0.126 4.144 4.350 -0.133 0.000 0.257 436 E C 1.058 177.646 176.600 -0.021 0.000 1.098 436 E CA 0.277 56.662 56.400 -0.026 0.000 0.752 436 E CB -1.824 27.854 29.700 -0.036 0.000 1.324 436 E HN 0.293 nan 8.360 nan 0.000 0.403 437 V N 0.230 120.132 119.914 -0.020 0.000 3.026 437 V HA -0.252 3.788 4.120 -0.133 0.000 0.265 437 V C 2.516 178.604 176.094 -0.009 0.000 1.121 437 V CA 1.941 64.230 62.300 -0.019 0.000 1.142 437 V CB -0.558 31.252 31.823 -0.023 0.000 0.730 437 V HN 0.560 nan 8.190 nan 0.000 0.503 438 S N 0.085 115.784 115.700 -0.002 0.000 2.419 438 S HA -0.227 4.163 4.470 -0.133 0.000 0.235 438 S C 1.759 176.364 174.600 0.008 0.000 1.019 438 S CA 1.648 59.852 58.200 0.007 0.000 0.982 438 S CB -0.510 62.701 63.200 0.018 0.000 0.789 438 S HN 0.604 nan 8.310 nan 0.000 0.490 439 M N 0.393 119.996 119.600 0.005 0.000 2.558 439 M HA 0.264 4.664 4.480 -0.133 0.000 0.255 439 M C 0.233 176.545 176.300 0.019 0.000 1.113 439 M CA 0.497 55.805 55.300 0.013 0.000 1.097 439 M CB -0.302 32.300 32.600 0.004 0.000 1.426 439 M HN 0.310 nan 8.290 nan 0.000 0.488 440 M N 0.520 120.126 119.600 0.009 0.000 2.108 440 M HA 0.328 4.728 4.480 -0.133 0.000 0.354 440 M C 0.611 176.922 176.300 0.019 0.000 1.229 440 M CA -0.472 54.834 55.300 0.010 0.000 1.081 440 M CB 1.014 33.607 32.600 -0.011 0.000 1.606 440 M HN 0.061 nan 8.290 nan 0.000 0.467 441 G N 1.278 110.098 108.800 0.033 0.000 2.557 441 G HA2 0.152 4.032 3.960 -0.133 0.000 0.292 441 G HA3 0.152 4.032 3.960 -0.133 0.000 0.292 441 G C 0.157 175.080 174.900 0.039 0.000 1.237 441 G CA -0.516 44.608 45.100 0.040 0.000 0.978 441 G HN 0.694 nan 8.290 nan 0.000 0.498 442 D N 0.020 120.450 120.400 0.049 0.000 2.116 442 D HA -0.172 4.388 4.640 -0.133 0.000 0.193 442 D C 2.716 179.048 176.300 0.054 0.000 0.998 442 D CA 1.852 55.883 54.000 0.051 0.000 0.836 442 D CB -0.443 40.400 40.800 0.072 0.000 0.951 442 D HN 0.382 nan 8.370 nan 0.000 0.449 443 A N 0.811 123.679 122.820 0.080 0.000 1.859 443 A HA -0.177 4.063 4.320 -0.133 0.000 0.217 443 A C 2.118 179.741 177.584 0.065 0.000 1.198 443 A CA 1.146 53.245 52.037 0.103 0.000 0.629 443 A CB -0.787 18.302 19.000 0.149 0.000 0.830 443 A HN 0.249 nan 8.150 nan 0.000 0.446 444 L N -1.417 119.831 121.223 0.042 0.000 2.156 444 L HA -0.052 4.208 4.340 -0.133 0.000 0.208 444 L C 2.438 179.249 176.870 -0.097 0.000 1.095 444 L CA 1.542 56.356 54.840 -0.042 0.000 0.770 444 L CB -0.870 41.168 42.059 -0.034 0.000 0.914 444 L HN 0.326 nan 8.230 nan 0.000 0.439 445 M N -0.663 118.909 119.600 -0.047 0.000 2.065 445 M HA -0.238 4.162 4.480 -0.133 0.000 0.259 445 M C 2.262 178.525 176.300 -0.061 0.000 1.069 445 M CA 1.617 56.886 55.300 -0.052 0.000 1.110 445 M CB -1.262 31.324 32.600 -0.023 0.000 1.328 445 M HN 0.236 nan 8.290 nan 0.000 0.405 446 L N 0.016 121.218 121.223 -0.035 0.000 2.012 446 L HA -0.177 4.083 4.340 -0.133 0.000 0.210 446 L C 2.310 179.141 176.870 -0.065 0.000 1.073 446 L CA 2.108 56.931 54.840 -0.027 0.000 0.748 446 L CB -1.108 40.959 42.059 0.015 0.000 0.891 446 L HN 0.303 nan 8.230 nan 0.000 0.431 447 S N -0.534 115.092 115.700 -0.123 0.000 2.383 447 S HA -0.198 4.192 4.470 -0.133 0.000 0.229 447 S C 1.825 176.236 174.600 -0.315 0.000 1.030 447 S CA 1.640 59.669 58.200 -0.285 0.000 1.002 447 S CB -0.603 62.209 63.200 -0.647 0.000 0.829 447 S HN 0.468 nan 8.310 nan 0.000 0.467 448 L N 1.514 122.583 121.223 -0.256 0.000 2.007 448 L HA 0.115 4.375 4.340 -0.133 0.000 0.205 448 L C 2.069 178.878 176.870 -0.103 0.000 1.073 448 L CA 1.451 56.179 54.840 -0.187 0.000 0.744 448 L CB -0.432 41.534 42.059 -0.154 0.000 0.898 448 L HN 0.238 nan 8.230 nan 0.000 0.435 449 L N -0.413 120.762 121.223 -0.080 0.000 2.131 449 L HA -0.177 4.083 4.340 -0.133 0.000 0.210 449 L C 2.584 179.435 176.870 -0.031 0.000 1.092 449 L CA 1.067 55.877 54.840 -0.050 0.000 0.759 449 L CB -0.899 41.132 42.059 -0.047 0.000 0.903 449 L HN 0.402 nan 8.230 nan 0.000 0.435 450 A N -0.160 122.644 122.820 -0.026 0.000 2.121 450 A HA -0.018 4.222 4.320 -0.133 0.000 0.218 450 A C 2.277 179.885 177.584 0.041 0.000 1.154 450 A CA 1.448 53.495 52.037 0.016 0.000 0.679 450 A CB -0.379 18.643 19.000 0.038 0.000 0.795 450 A HN 0.400 nan 8.150 nan 0.000 0.458 451 A N -0.754 122.070 122.820 0.007 0.000 2.275 451 A HA 0.442 4.682 4.320 -0.133 0.000 0.212 451 A C 0.669 178.263 177.584 0.016 0.000 1.201 451 A CA -0.001 52.052 52.037 0.026 0.000 0.843 451 A CB -0.179 18.830 19.000 0.016 0.000 0.873 451 A HN 0.199 nan 8.150 nan 0.000 0.492 452 V N 2.735 122.654 119.914 0.008 0.000 2.479 452 V HA 0.126 4.166 4.120 -0.133 0.000 0.281 452 V C -2.179 173.922 176.094 0.012 0.000 1.031 452 V CA -1.216 61.089 62.300 0.009 0.000 1.038 452 V CB 0.374 32.194 31.823 -0.005 0.000 0.981 452 V HN 0.266 nan 8.190 nan 0.000 0.478 453 P HA 0.110 nan 4.420 nan 0.000 0.266 453 P C -2.448 174.855 177.300 0.005 0.000 1.193 453 P CA -0.919 62.184 63.100 0.006 0.000 0.770 453 P CB -0.285 31.413 31.700 -0.004 0.000 0.836 454 P HA -0.020 nan 4.420 nan 0.000 0.266 454 P C 0.981 178.278 177.300 -0.005 0.000 1.195 454 P CA 0.949 64.050 63.100 0.001 0.000 0.768 454 P CB 0.169 31.872 31.700 0.005 0.000 0.838 455 G N 1.225 110.017 108.800 -0.014 0.000 2.212 455 G HA2 -0.223 3.657 3.960 -0.133 0.000 0.266 455 G HA3 -0.223 3.657 3.960 -0.133 0.000 0.266 455 G C 0.450 175.337 174.900 -0.022 0.000 0.978 455 G CA 0.310 45.398 45.100 -0.020 0.000 0.632 455 G HN 0.911 nan 8.290 nan 0.000 0.537 456 A N -0.415 122.396 122.820 -0.014 0.000 2.257 456 A HA 0.872 5.112 4.320 -0.133 0.000 0.289 456 A C 0.631 178.196 177.584 -0.032 0.000 1.095 456 A CA 0.029 52.061 52.037 -0.008 0.000 0.836 456 A CB 0.553 19.561 19.000 0.014 0.000 1.111 456 A HN 0.548 nan 8.150 nan 0.000 0.497 457 R N -1.186 119.290 120.500 -0.039 0.000 2.720 457 R HA 0.689 4.949 4.340 -0.133 0.000 0.272 457 R C -1.443 174.827 176.300 -0.050 0.000 0.991 457 R CA -0.573 55.479 56.100 -0.080 0.000 1.010 457 R CB 1.882 32.085 30.300 -0.163 0.000 1.141 457 R HN 0.396 nan 8.270 nan 0.000 0.494 458 V N 2.315 122.192 119.914 -0.062 0.000 2.668 458 V HA 0.313 4.353 4.120 -0.133 0.000 0.304 458 V C -1.055 175.007 176.094 -0.054 0.000 1.071 458 V CA -0.767 61.504 62.300 -0.049 0.000 0.894 458 V CB 2.052 33.848 31.823 -0.044 0.000 1.008 458 V HN 0.533 nan 8.190 nan 0.000 0.425 459 L N 6.020 127.217 121.223 -0.043 0.000 2.298 459 L HA 0.624 4.884 4.340 -0.133 0.000 0.284 459 L C -1.199 175.650 176.870 -0.034 0.000 1.013 459 L CA -0.475 54.343 54.840 -0.036 0.000 0.824 459 L CB 1.266 43.316 42.059 -0.015 0.000 1.221 459 L HN 0.586 nan 8.230 nan 0.000 0.418 460 L N 5.943 127.145 121.223 -0.036 0.000 2.295 460 L HA 0.550 4.810 4.340 -0.133 0.000 0.285 460 L C -0.274 176.580 176.870 -0.027 0.000 1.035 460 L CA -0.644 54.175 54.840 -0.035 0.000 0.806 460 L CB 1.871 43.908 42.059 -0.037 0.000 1.214 460 L HN 0.394 nan 8.230 nan 0.000 0.426 461 V N 2.129 122.028 119.914 -0.024 0.000 2.588 461 V HA 1.014 5.054 4.120 -0.133 0.000 0.304 461 V C -0.364 175.721 176.094 -0.014 0.000 1.042 461 V CA 0.106 62.396 62.300 -0.017 0.000 0.877 461 V CB 1.642 33.456 31.823 -0.014 0.000 0.996 461 V HN 0.814 nan 8.190 nan 0.000 0.425 462 G N 3.425 112.222 108.800 -0.005 0.000 2.698 462 G HA2 0.494 4.375 3.960 -0.133 0.000 0.293 462 G HA3 0.494 4.375 3.960 -0.133 0.000 0.293 462 G C -2.160 172.751 174.900 0.019 0.000 1.437 462 G CA -0.450 44.651 45.100 0.002 0.000 0.852 462 G HN 0.786 nan 8.290 nan 0.000 0.499 463 D N 0.556 120.979 120.400 0.037 0.000 2.441 463 D HA 0.355 4.915 4.640 -0.133 0.000 0.231 463 D C 1.636 177.971 176.300 0.059 0.000 1.073 463 D CA -0.089 53.955 54.000 0.073 0.000 0.850 463 D CB 1.490 42.369 40.800 0.132 0.000 1.062 463 D HN 0.357 nan 8.370 nan 0.000 0.524 464 T N 0.031 114.597 114.554 0.020 0.000 3.072 464 T HA -0.060 4.211 4.350 -0.133 0.000 0.266 464 T C 0.799 175.476 174.700 -0.040 0.000 1.127 464 T CA 0.564 62.658 62.100 -0.010 0.000 1.107 464 T CB 0.189 69.041 68.868 -0.027 0.000 0.910 464 T HN 0.219 nan 8.240 nan 0.000 0.513 465 D N 0.859 121.214 120.400 -0.074 0.000 2.339 465 D HA 0.085 4.646 4.640 -0.133 0.000 0.217 465 D C 0.844 177.109 176.300 -0.058 0.000 1.050 465 D CA 0.143 53.997 54.000 -0.244 0.000 0.856 465 D CB 0.168 40.550 40.800 -0.698 0.000 0.922 465 D HN 0.472 nan 8.370 nan 0.000 0.518 466 Q N 0.476 120.369 119.800 0.155 0.000 2.535 466 Q HA 0.159 4.419 4.340 -0.133 0.000 0.228 466 Q C 0.753 176.799 176.000 0.078 0.000 1.062 466 Q CA -0.264 55.662 55.803 0.205 0.000 0.967 466 Q CB 1.088 29.905 28.738 0.131 0.000 1.273 466 Q HN 0.182 nan 8.270 nan 0.000 0.554 467 L N 2.740 123.983 121.223 0.033 0.000 2.554 467 L HA -0.049 4.211 4.340 -0.133 0.000 0.293 467 L C -1.762 175.108 176.870 -0.001 0.000 1.252 467 L CA -0.821 54.003 54.840 -0.026 0.000 0.862 467 L CB -0.304 41.651 42.059 -0.175 0.000 1.113 467 L HN 0.416 nan 8.230 nan 0.000 0.510 468 P HA 0.266 nan 4.420 nan 0.000 0.276 468 P C -2.599 174.728 177.300 0.045 0.000 1.261 468 P CA -1.719 61.395 63.100 0.022 0.000 0.800 468 P CB -0.234 31.474 31.700 0.013 0.000 1.066 469 P HA -0.027 nan 4.420 nan 0.000 0.269 469 P C 1.104 178.446 177.300 0.070 0.000 1.211 469 P CA 0.089 63.220 63.100 0.052 0.000 0.781 469 P CB 0.221 31.944 31.700 0.038 0.000 0.877 470 V N 0.291 120.256 119.914 0.084 0.000 2.488 470 V HA -0.084 3.956 4.120 -0.133 0.000 0.246 470 V C 0.760 176.875 176.094 0.034 0.000 1.046 470 V CA 1.730 64.069 62.300 0.065 0.000 1.053 470 V CB -0.695 31.170 31.823 0.071 0.000 0.679 470 V HN 0.557 nan 8.190 nan 0.000 0.458 471 D N 0.175 120.603 120.400 0.048 0.000 2.354 471 D HA 0.434 4.994 4.640 -0.133 0.000 0.247 471 D C 0.290 176.611 176.300 0.035 0.000 1.138 471 D CA 0.289 54.319 54.000 0.050 0.000 0.958 471 D CB 1.108 41.954 40.800 0.077 0.000 1.144 471 D HN 0.280 nan 8.370 nan 0.000 0.458 472 A N 0.148 122.989 122.820 0.036 0.000 2.520 472 A HA 0.495 4.735 4.320 -0.133 0.000 0.235 472 A C 0.865 178.473 177.584 0.039 0.000 1.065 472 A CA 0.796 52.848 52.037 0.024 0.000 0.764 472 A CB -0.324 18.700 19.000 0.038 0.000 1.002 472 A HN 0.836 nan 8.150 nan 0.000 0.502 473 G N -0.781 108.037 108.800 0.030 0.000 2.570 473 G HA2 0.214 4.094 3.960 -0.133 0.000 0.686 473 G HA3 0.214 4.094 3.960 -0.133 0.000 0.686 473 G C -0.834 174.081 174.900 0.025 0.000 1.257 473 G CA -0.379 44.746 45.100 0.042 0.000 0.846 473 G HN 1.399 nan 8.290 nan 0.000 0.627 474 L N 1.522 122.761 121.223 0.028 0.000 2.574 474 L HA 0.272 4.532 4.340 -0.133 0.000 0.258 474 L C -1.607 175.272 176.870 0.015 0.000 1.520 474 L CA -1.474 53.375 54.840 0.016 0.000 0.775 474 L CB 1.939 44.005 42.059 0.012 0.000 1.028 474 L HN 0.398 nan 8.230 nan 0.000 0.516 475 P HA -0.186 nan 4.420 nan 0.000 0.215 475 P C 1.725 179.022 177.300 -0.004 0.000 1.157 475 P CA 0.885 63.989 63.100 0.007 0.000 0.868 475 P CB 0.487 32.190 31.700 0.004 0.000 0.788 476 L N -0.976 120.244 121.223 -0.006 0.000 2.012 476 L HA -0.160 4.100 4.340 -0.133 0.000 0.210 476 L C 2.113 178.975 176.870 -0.014 0.000 1.073 476 L CA 1.949 56.781 54.840 -0.012 0.000 0.748 476 L CB -1.554 40.499 42.059 -0.010 0.000 0.891 476 L HN -0.188 nan 8.230 nan 0.000 0.431 477 L N 0.033 121.250 121.223 -0.010 0.000 2.083 477 L HA -0.133 4.127 4.340 -0.133 0.000 0.209 477 L C 2.690 179.551 176.870 -0.014 0.000 1.083 477 L CA 1.986 56.818 54.840 -0.013 0.000 0.752 477 L CB -1.648 40.405 42.059 -0.009 0.000 0.899 477 L HN 0.398 nan 8.230 nan 0.000 0.433 478 A N -0.910 121.905 122.820 -0.009 0.000 1.873 478 A HA -0.124 4.116 4.320 -0.133 0.000 0.215 478 A C 2.321 179.889 177.584 -0.026 0.000 1.186 478 A CA 1.392 53.422 52.037 -0.012 0.000 0.616 478 A CB -0.740 18.260 19.000 0.000 0.000 0.823 478 A HN 0.349 nan 8.150 nan 0.000 0.442 479 L N -0.582 120.626 121.223 -0.026 0.000 2.046 479 L HA -0.198 4.062 4.340 -0.133 0.000 0.208 479 L C 2.998 179.843 176.870 -0.041 0.000 1.077 479 L CA 1.064 55.883 54.840 -0.035 0.000 0.747 479 L CB -0.447 41.592 42.059 -0.033 0.000 0.896 479 L HN 0.429 nan 8.230 nan 0.000 0.432 480 A N -0.987 121.812 122.820 -0.035 0.000 2.125 480 A HA -0.222 4.018 4.320 -0.133 0.000 0.219 480 A C 2.160 179.719 177.584 -0.042 0.000 1.156 480 A CA 1.483 53.498 52.037 -0.037 0.000 0.671 480 A CB -0.282 18.700 19.000 -0.031 0.000 0.794 480 A HN 0.525 nan 8.150 nan 0.000 0.459 481 Q N -1.991 117.783 119.800 -0.042 0.000 2.373 481 Q HA 0.291 4.551 4.340 -0.133 0.000 0.210 481 Q C 2.078 178.042 176.000 -0.060 0.000 0.913 481 Q CA 0.702 56.478 55.803 -0.046 0.000 0.911 481 Q CB 0.143 28.857 28.738 -0.040 0.000 1.040 481 Q HN 0.643 nan 8.270 nan 0.000 0.521 482 A N 0.573 123.355 122.820 -0.064 0.000 1.944 482 A HA 0.481 4.721 4.320 -0.133 0.000 0.207 482 A C 1.051 178.592 177.584 -0.071 0.000 1.265 482 A CA 0.413 52.404 52.037 -0.076 0.000 0.712 482 A CB -0.196 18.757 19.000 -0.079 0.000 0.915 482 A HN 0.279 nan 8.150 nan 0.000 0.470 483 A N 0.588 123.368 122.820 -0.067 0.000 2.346 483 A HA 0.542 4.782 4.320 -0.133 0.000 0.252 483 A C -2.539 174.986 177.584 -0.099 0.000 1.089 483 A CA -1.233 50.759 52.037 -0.075 0.000 0.797 483 A CB -0.654 18.306 19.000 -0.066 0.000 1.047 483 A HN 0.200 nan 8.150 nan 0.000 0.494 484 P HA 0.165 nan 4.420 nan 0.000 0.264 484 P C -0.395 176.824 177.300 -0.136 0.000 1.229 484 P CA 0.544 63.526 63.100 -0.197 0.000 0.780 484 P CB 0.175 31.643 31.700 -0.386 0.000 0.808 485 T N 1.320 115.814 114.554 -0.100 0.000 2.824 485 T HA 0.615 4.885 4.350 -0.133 0.000 0.282 485 T C -0.259 174.408 174.700 -0.055 0.000 0.993 485 T CA -0.850 61.208 62.100 -0.069 0.000 0.967 485 T CB 0.482 69.317 68.868 -0.055 0.000 0.960 485 T HN -0.068 nan 8.240 nan 0.000 0.441 486 I N 3.133 123.679 120.570 -0.041 0.000 2.297 486 I HA 0.367 4.457 4.170 -0.133 0.000 0.291 486 I C 0.422 176.531 176.117 -0.014 0.000 1.033 486 I CA -0.283 61.003 61.300 -0.024 0.000 1.253 486 I CB 1.222 39.215 38.000 -0.012 0.000 1.396 486 I HN 0.637 nan 8.210 nan 0.000 0.476 487 K N 7.429 127.820 120.400 -0.014 0.000 2.299 487 K HA 0.454 4.695 4.320 -0.133 0.000 0.268 487 K C -0.794 175.806 176.600 0.000 0.000 1.075 487 K CA -0.470 55.811 56.287 -0.010 0.000 0.936 487 K CB 0.424 32.912 32.500 -0.019 0.000 1.228 487 K HN 0.550 nan 8.250 nan 0.000 0.454 488 L N 3.386 124.618 121.223 0.014 0.000 2.455 488 L HA 0.063 4.323 4.340 -0.133 0.000 0.272 488 L C 1.191 178.074 176.870 0.023 0.000 1.174 488 L CA 0.049 54.906 54.840 0.029 0.000 0.869 488 L CB 1.052 43.142 42.059 0.052 0.000 1.130 488 L HN 0.742 nan 8.230 nan 0.000 0.474 489 T N 0.888 115.453 114.554 0.019 0.000 2.958 489 T HA 0.020 4.290 4.350 -0.133 0.000 0.256 489 T C 0.500 175.210 174.700 0.017 0.000 0.983 489 T CA -0.036 62.065 62.100 0.002 0.000 0.924 489 T CB 0.271 69.130 68.868 -0.013 0.000 1.136 489 T HN 0.569 nan 8.240 nan 0.000 0.506 490 Q N 2.050 121.873 119.800 0.038 0.000 2.294 490 Q HA 0.454 4.714 4.340 -0.133 0.000 0.257 490 Q C -1.037 175.028 176.000 0.109 0.000 0.955 490 Q CA -0.269 55.560 55.803 0.044 0.000 0.936 490 Q CB 1.098 29.845 28.738 0.015 0.000 1.188 490 Q HN 0.177 nan 8.270 nan 0.000 0.420 491 V N 4.851 124.835 119.914 0.117 0.000 2.607 491 V HA 0.133 4.173 4.120 -0.133 0.000 0.289 491 V C -0.299 175.914 176.094 0.199 0.000 1.053 491 V CA -0.502 61.914 62.300 0.194 0.000 0.996 491 V CB 0.545 32.482 31.823 0.189 0.000 0.995 491 V HN 0.682 nan 8.190 nan 0.000 0.476 492 Y N 2.829 123.145 120.300 0.026 0.000 2.426 492 Y HA 0.100 4.569 4.550 -0.135 0.000 0.344 492 Y C 1.569 177.474 175.900 0.009 0.000 1.256 492 Y CA 0.096 58.204 58.100 0.013 0.000 1.451 492 Y CB 0.172 38.636 38.460 0.007 0.000 1.342 492 Y HN 0.555 nan 8.280 nan 0.000 0.600 493 R N 0.740 121.294 120.500 0.089 0.000 2.073 493 R HA -0.233 4.027 4.340 -0.133 0.000 0.234 493 R C 1.985 178.326 176.300 0.067 0.000 1.134 493 R CA 2.086 58.215 56.100 0.050 0.000 0.952 493 R CB -0.184 30.124 30.300 0.013 0.000 0.850 493 R HN 0.874 nan 8.270 nan 0.000 0.433 494 Q N -0.662 119.195 119.800 0.095 0.000 2.291 494 Q HA -0.094 4.166 4.340 -0.133 0.000 0.205 494 Q C 1.695 177.724 176.000 0.049 0.000 0.970 494 Q CA 1.287 57.129 55.803 0.065 0.000 0.876 494 Q CB 0.056 28.835 28.738 0.068 0.000 0.935 494 Q HN 0.489 nan 8.270 nan 0.000 0.455 495 A N 0.284 123.152 122.820 0.080 0.000 1.930 495 A HA 0.023 4.263 4.320 -0.133 0.000 0.215 495 A C 2.225 179.822 177.584 0.021 0.000 1.176 495 A CA 1.142 53.202 52.037 0.038 0.000 0.632 495 A CB -0.703 18.335 19.000 0.064 0.000 0.819 495 A HN 0.484 nan 8.150 nan 0.000 0.445 496 A N 1.184 124.033 122.820 0.049 0.000 1.940 496 A HA -0.208 4.032 4.320 -0.133 0.000 0.219 496 A C 2.093 179.676 177.584 -0.001 0.000 1.176 496 A CA 1.985 54.042 52.037 0.033 0.000 0.631 496 A CB -0.514 18.511 19.000 0.041 0.000 0.814 496 A HN 0.706 nan 8.150 nan 0.000 0.446 497 K N -0.607 119.791 120.400 -0.003 0.000 2.366 497 K HA -0.063 4.177 4.320 -0.133 0.000 0.198 497 K C 0.462 177.039 176.600 -0.037 0.000 1.044 497 K CA 0.543 56.820 56.287 -0.017 0.000 0.973 497 K CB -0.319 32.177 32.500 -0.007 0.000 0.767 497 K HN 0.291 nan 8.250 nan 0.000 0.475 498 N N 2.516 121.188 118.700 -0.046 0.000 2.431 498 N HA 0.049 4.709 4.740 -0.133 0.000 0.265 498 N C -1.975 173.473 175.510 -0.104 0.000 1.184 498 N CA -1.844 51.165 53.050 -0.068 0.000 0.943 498 N CB 1.475 39.919 38.487 -0.072 0.000 1.080 498 N HN -0.073 nan 8.380 nan 0.000 0.477 499 P HA -0.084 nan 4.420 nan 0.000 0.215 499 P C 1.401 178.581 177.300 -0.200 0.000 1.153 499 P CA 1.151 64.164 63.100 -0.146 0.000 0.853 499 P CB 0.303 31.924 31.700 -0.132 0.000 0.788 500 I N -1.133 119.326 120.570 -0.185 0.000 2.179 500 I HA -0.230 3.860 4.170 -0.133 0.000 0.242 500 I C 2.392 178.350 176.117 -0.265 0.000 1.088 500 I CA 1.452 62.617 61.300 -0.224 0.000 1.357 500 I CB -0.672 37.238 38.000 -0.149 0.000 1.051 500 I HN -0.132 nan 8.210 nan 0.000 0.409 501 I N 0.361 120.783 120.570 -0.246 0.000 2.286 501 I HA -0.310 3.780 4.170 -0.133 0.000 0.248 501 I C 2.551 178.389 176.117 -0.465 0.000 1.115 501 I CA 1.612 62.702 61.300 -0.350 0.000 1.392 501 I CB -0.478 37.362 38.000 -0.266 0.000 1.065 501 I HN 0.410 nan 8.210 nan 0.000 0.418 502 Q N 0.444 120.070 119.800 -0.291 0.000 2.119 502 Q HA -0.128 4.132 4.340 -0.133 0.000 0.201 502 Q C 2.464 178.336 176.000 -0.214 0.000 0.972 502 Q CA 1.549 57.223 55.803 -0.215 0.000 0.847 502 Q CB -0.183 28.463 28.738 -0.153 0.000 0.903 502 Q HN 0.540 nan 8.270 nan 0.000 0.433 503 A N 1.288 123.946 122.820 -0.269 0.000 1.902 503 A HA -0.125 4.115 4.320 -0.133 0.000 0.217 503 A C 2.328 179.803 177.584 -0.181 0.000 1.181 503 A CA 1.567 53.423 52.037 -0.302 0.000 0.623 503 A CB -0.816 17.902 19.000 -0.468 0.000 0.818 503 A HN 0.389 nan 8.150 nan 0.000 0.443 504 A N -0.766 121.947 122.820 -0.179 0.000 1.940 504 A HA -0.218 4.022 4.320 -0.133 0.000 0.219 504 A C 1.933 179.666 177.584 0.249 0.000 1.176 504 A CA 1.791 53.829 52.037 0.002 0.000 0.631 504 A CB -0.982 17.905 19.000 -0.188 0.000 0.814 504 A HN 0.787 nan 8.150 nan 0.000 0.446 505 H N -1.506 117.602 119.070 0.062 0.000 2.436 505 H HA 0.008 4.492 4.556 -0.120 0.000 0.294 505 H C 2.434 177.710 175.328 -0.086 0.000 1.048 505 H CA 0.157 56.224 56.048 0.032 0.000 1.353 505 H CB -0.005 29.742 29.762 -0.024 0.000 1.414 505 H HN 0.548 nan 8.280 nan 0.000 0.536 506 G N 1.215 109.990 108.800 -0.042 0.000 2.440 506 G HA2 -0.243 3.638 3.960 -0.133 0.000 0.218 506 G HA3 -0.243 3.638 3.960 -0.133 0.000 0.218 506 G C 1.633 176.553 174.900 0.033 0.000 1.154 506 G CA 0.673 45.699 45.100 -0.122 0.000 0.767 506 G HN 0.223 nan 8.290 nan 0.000 0.552 507 L N 0.091 121.365 121.223 0.085 0.000 2.021 507 L HA -0.143 4.117 4.340 -0.133 0.000 0.215 507 L C 2.892 179.840 176.870 0.130 0.000 1.074 507 L CA 0.935 55.858 54.840 0.137 0.000 0.760 507 L CB -0.505 41.683 42.059 0.215 0.000 0.889 507 L HN 0.220 nan 8.230 nan 0.000 0.433 508 L N -1.171 120.143 121.223 0.151 0.000 2.265 508 L HA -0.206 4.054 4.340 -0.133 0.000 0.215 508 L C 1.672 178.645 176.870 0.171 0.000 1.117 508 L CA 0.816 55.723 54.840 0.111 0.000 0.782 508 L CB -0.801 41.312 42.059 0.089 0.000 0.914 508 L HN 0.369 nan 8.230 nan 0.000 0.441 509 H N 0.028 119.096 119.070 -0.003 0.000 2.538 509 H HA 0.243 4.723 4.556 -0.128 0.000 0.286 509 H C 1.446 176.776 175.328 0.003 0.000 1.035 509 H CA -0.182 55.863 56.048 -0.006 0.000 1.169 509 H CB -0.341 29.419 29.762 -0.003 0.000 1.417 509 H HN 0.283 nan 8.280 nan 0.000 0.567 510 G N 1.071 109.942 108.800 0.119 0.000 2.305 510 G HA2 -0.315 3.565 3.960 -0.133 0.000 0.287 510 G HA3 -0.315 3.565 3.960 -0.133 0.000 0.287 510 G C -0.194 174.757 174.900 0.085 0.000 1.036 510 G CA 0.170 45.320 45.100 0.083 0.000 0.887 510 G HN 0.517 nan 8.290 nan 0.000 0.505 511 E N -0.018 120.233 120.200 0.085 0.000 2.165 511 E HA 0.592 4.862 4.350 -0.133 0.000 0.266 511 E C 0.621 177.242 176.600 0.035 0.000 0.889 511 E CA -0.296 56.133 56.400 0.048 0.000 0.756 511 E CB 1.524 31.232 29.700 0.013 0.000 1.131 511 E HN 0.595 nan 8.360 nan 0.000 0.411 512 A N 4.634 127.490 122.820 0.061 0.000 2.507 512 A HA 0.235 4.475 4.320 -0.133 0.000 0.235 512 A C -2.091 175.395 177.584 -0.163 0.000 1.070 512 A CA -0.858 51.224 52.037 0.074 0.000 0.768 512 A CB -0.409 18.703 19.000 0.187 0.000 1.011 512 A HN 0.353 nan 8.150 nan 0.000 0.502 513 P HA 0.249 nan 4.420 nan 0.000 0.268 513 P C -0.531 176.213 177.300 -0.927 0.000 1.208 513 P CA 0.375 62.939 63.100 -0.893 0.000 0.777 513 P CB 0.488 31.157 31.700 -1.718 0.000 0.875 514 A N 2.797 125.202 122.820 -0.691 0.000 2.478 514 A HA 0.352 4.592 4.320 -0.133 0.000 0.327 514 A C -0.601 176.750 177.584 -0.389 0.000 1.431 514 A CA -0.629 51.156 52.037 -0.421 0.000 1.014 514 A CB -0.667 18.195 19.000 -0.231 0.000 1.143 514 A HN 0.479 nan 8.150 nan 0.000 0.532 515 W N 1.020 122.255 121.300 -0.109 0.000 2.089 515 W HA 0.488 5.041 4.660 -0.178 0.000 0.362 515 W C 1.293 177.779 176.519 -0.054 0.000 1.362 515 W CA 0.866 58.151 57.345 -0.100 0.000 1.460 515 W CB 0.654 30.055 29.460 -0.097 0.000 1.204 515 W HN 1.116 nan 8.180 nan 0.000 0.657 516 G N -0.463 108.493 108.800 0.260 0.000 2.211 516 G HA2 -0.239 3.641 3.960 -0.133 0.000 0.201 516 G HA3 -0.239 3.641 3.960 -0.133 0.000 0.201 516 G C -0.293 174.667 174.900 0.101 0.000 0.997 516 G CA -0.259 44.928 45.100 0.146 0.000 0.652 516 G HN 0.502 nan 8.290 nan 0.000 0.500 517 D N 0.445 120.897 120.400 0.085 0.000 2.283 517 D HA 0.338 4.898 4.640 -0.133 0.000 0.248 517 D C 1.413 177.756 176.300 0.071 0.000 1.072 517 D CA -0.351 53.676 54.000 0.046 0.000 0.929 517 D CB 0.784 41.581 40.800 -0.006 0.000 1.182 517 D HN 0.184 nan 8.370 nan 0.000 0.433 518 K N 1.359 121.800 120.400 0.069 0.000 2.360 518 K HA -0.103 4.137 4.320 -0.133 0.000 0.201 518 K C 1.483 178.111 176.600 0.047 0.000 1.046 518 K CA 0.932 57.288 56.287 0.115 0.000 0.945 518 K CB 0.312 32.871 32.500 0.099 0.000 0.750 518 K HN 0.249 nan 8.250 nan 0.000 0.464 519 R N -0.259 120.207 120.500 -0.057 0.000 2.334 519 R HA 0.246 4.506 4.340 -0.133 0.000 0.212 519 R C 0.141 176.290 176.300 -0.251 0.000 0.897 519 R CA 0.074 56.068 56.100 -0.177 0.000 1.056 519 R CB 0.762 31.007 30.300 -0.092 0.000 1.046 519 R HN -0.020 nan 8.270 nan 0.000 0.513 520 L N 2.252 123.394 121.223 -0.134 0.000 2.595 520 L HA 0.296 4.556 4.340 -0.133 0.000 0.259 520 L C -1.985 175.033 176.870 0.246 0.000 1.033 520 L CA -0.455 54.391 54.840 0.010 0.000 0.901 520 L CB 1.020 43.019 42.059 -0.101 0.000 1.151 520 L HN 0.228 nan 8.230 nan 0.000 0.453 521 N N 3.458 122.360 118.700 0.337 0.000 2.610 521 N HA 0.674 5.334 4.740 -0.133 0.000 0.264 521 N C -1.803 173.729 175.510 0.035 0.000 1.348 521 N CA -0.827 52.442 53.050 0.365 0.000 0.819 521 N CB 2.382 41.021 38.487 0.253 0.000 1.521 521 N HN 0.368 nan 8.380 nan 0.000 0.497 522 L N 0.307 121.359 121.223 -0.286 0.000 2.385 522 L HA 0.735 4.995 4.340 -0.133 0.000 0.273 522 L C -1.011 175.705 176.870 -0.257 0.000 0.990 522 L CA -0.405 54.076 54.840 -0.598 0.000 0.821 522 L CB 2.001 43.197 42.059 -1.438 0.000 1.279 522 L HN 0.952 nan 8.230 nan 0.000 0.412 523 T N 0.136 114.593 114.554 -0.162 0.000 2.770 523 T HA 0.448 4.718 4.350 -0.133 0.000 0.283 523 T C -0.345 174.315 174.700 -0.068 0.000 0.988 523 T CA -0.840 61.208 62.100 -0.086 0.000 0.957 523 T CB 1.324 70.158 68.868 -0.057 0.000 0.930 523 T HN 0.521 nan 8.240 nan 0.000 0.443 524 E N 3.206 123.379 120.200 -0.045 0.000 2.324 524 E HA 0.342 4.612 4.350 -0.133 0.000 0.271 524 E C 0.210 176.811 176.600 0.002 0.000 1.028 524 E CA -0.046 56.350 56.400 -0.006 0.000 0.890 524 E CB 0.886 30.590 29.700 0.007 0.000 1.004 524 E HN 0.828 nan 8.360 nan 0.000 0.431 525 I N -1.156 119.427 120.570 0.022 0.000 2.969 525 I HA 0.414 4.504 4.170 -0.133 0.000 0.307 525 I C -0.218 175.886 176.117 -0.021 0.000 1.149 525 I CA -1.113 60.182 61.300 -0.008 0.000 1.008 525 I CB 2.234 40.215 38.000 -0.032 0.000 1.232 525 I HN -0.024 nan 8.210 nan 0.000 0.435 526 E N 4.654 124.819 120.200 -0.058 0.000 2.289 526 E HA 0.251 4.521 4.350 -0.133 0.000 0.278 526 E C -1.896 174.594 176.600 -0.183 0.000 1.032 526 E CA -1.873 54.456 56.400 -0.118 0.000 0.854 526 E CB 1.509 31.168 29.700 -0.068 0.000 1.046 526 E HN 0.487 nan 8.360 nan 0.000 0.409 527 P HA -0.107 nan 4.420 nan 0.000 0.218 527 P C 0.519 177.768 177.300 -0.085 0.000 1.152 527 P CA 0.891 63.828 63.100 -0.273 0.000 0.826 527 P CB 0.504 31.895 31.700 -0.515 0.000 0.790 528 D N 0.340 120.678 120.400 -0.103 0.000 2.104 528 D HA -0.091 4.469 4.640 -0.133 0.000 0.194 528 D C 1.904 178.225 176.300 0.034 0.000 0.994 528 D CA 1.755 55.720 54.000 -0.058 0.000 0.830 528 D CB -0.656 40.104 40.800 -0.067 0.000 0.959 528 D HN 0.287 nan 8.370 nan 0.000 0.452 529 G N -0.502 108.311 108.800 0.021 0.000 3.690 529 G HA2 0.307 4.187 3.960 -0.133 0.000 0.283 529 G HA3 0.307 4.187 3.960 -0.133 0.000 0.283 529 G C 1.086 175.959 174.900 -0.045 0.000 1.057 529 G CA 0.192 45.311 45.100 0.031 0.000 0.821 529 G HN 0.277 nan 8.290 nan 0.000 0.526 530 G N 0.062 108.832 108.800 -0.049 0.000 3.042 530 G HA2 0.317 4.197 3.960 -0.133 0.000 0.212 530 G HA3 0.317 4.197 3.960 -0.133 0.000 0.212 530 G C 1.490 176.250 174.900 -0.233 0.000 1.166 530 G CA 1.007 46.033 45.100 -0.124 0.000 0.767 530 G HN 0.424 nan 8.290 nan 0.000 0.546 531 A N 0.829 123.379 122.820 -0.450 0.000 1.968 531 A HA 0.089 4.329 4.320 -0.133 0.000 0.217 531 A C 2.203 179.397 177.584 -0.651 0.000 1.169 531 A CA 1.368 53.017 52.037 -0.645 0.000 0.638 531 A CB -0.305 17.981 19.000 -1.190 0.000 0.812 531 A HN 0.325 nan 8.150 nan 0.000 0.446 532 R N -0.496 119.526 120.500 -0.798 0.000 2.081 532 R HA -0.183 4.077 4.340 -0.133 0.000 0.235 532 R C 2.360 178.522 176.300 -0.230 0.000 1.131 532 R CA 1.790 57.617 56.100 -0.455 0.000 0.960 532 R CB -0.217 29.919 30.300 -0.273 0.000 0.856 532 R HN 0.403 nan 8.270 nan 0.000 0.436 533 R N 0.260 120.639 120.500 -0.202 0.000 2.081 533 R HA -0.088 4.172 4.340 -0.133 0.000 0.235 533 R C 2.010 178.243 176.300 -0.112 0.000 1.131 533 R CA 1.781 57.802 56.100 -0.132 0.000 0.960 533 R CB -0.643 29.591 30.300 -0.110 0.000 0.856 533 R HN 0.136 nan 8.270 nan 0.000 0.436 534 V N 0.914 120.755 119.914 -0.122 0.000 2.295 534 V HA -0.228 3.812 4.120 -0.133 0.000 0.246 534 V C 2.413 178.485 176.094 -0.038 0.000 1.049 534 V CA 1.947 64.200 62.300 -0.078 0.000 1.024 534 V CB -1.120 30.660 31.823 -0.072 0.000 0.648 534 V HN 0.555 nan 8.190 nan 0.000 0.447 535 A N -0.067 122.725 122.820 -0.047 0.000 1.917 535 A HA -0.198 4.042 4.320 -0.133 0.000 0.219 535 A C 2.230 179.816 177.584 0.004 0.000 1.182 535 A CA 2.055 54.100 52.037 0.014 0.000 0.633 535 A CB -0.580 18.360 19.000 -0.099 0.000 0.819 535 A HN 0.526 nan 8.150 nan 0.000 0.448 536 L N -1.511 119.669 121.223 -0.071 0.000 2.093 536 L HA -0.168 4.092 4.340 -0.133 0.000 0.208 536 L C 2.841 179.694 176.870 -0.029 0.000 1.085 536 L CA 1.347 56.148 54.840 -0.065 0.000 0.755 536 L CB -0.498 41.508 42.059 -0.087 0.000 0.904 536 L HN 0.404 nan 8.230 nan 0.000 0.435 537 M N -0.824 118.747 119.600 -0.049 0.000 2.149 537 M HA -0.203 4.197 4.480 -0.133 0.000 0.261 537 M C 2.258 178.516 176.300 -0.071 0.000 1.064 537 M CA 1.429 56.677 55.300 -0.085 0.000 1.102 537 M CB -0.358 32.178 32.600 -0.107 0.000 1.369 537 M HN 0.080 nan 8.290 nan 0.000 0.408 538 V N -0.032 119.893 119.914 0.018 0.000 2.427 538 V HA -0.245 3.795 4.120 -0.133 0.000 0.248 538 V C 2.424 178.584 176.094 0.111 0.000 1.051 538 V CA 1.707 64.031 62.300 0.040 0.000 1.048 538 V CB -0.856 31.021 31.823 0.091 0.000 0.666 538 V HN 0.480 nan 8.190 nan 0.000 0.456 539 R N 0.358 121.050 120.500 0.321 0.000 2.073 539 R HA -0.229 4.031 4.340 -0.133 0.000 0.234 539 R C 2.314 178.665 176.300 0.086 0.000 1.134 539 R CA 2.150 58.433 56.100 0.305 0.000 0.952 539 R CB -0.355 30.059 30.300 0.190 0.000 0.850 539 R HN 0.620 nan 8.270 nan 0.000 0.433 540 E N 0.298 120.505 120.200 0.012 0.000 2.171 540 E HA -0.188 4.082 4.350 -0.133 0.000 0.197 540 E C 1.622 178.178 176.600 -0.073 0.000 0.997 540 E CA 1.232 57.604 56.400 -0.047 0.000 0.810 540 E CB -0.022 29.623 29.700 -0.092 0.000 0.738 540 E HN 0.404 nan 8.360 nan 0.000 0.467 541 L N -1.063 120.106 121.223 -0.091 0.000 2.592 541 L HA 0.208 4.468 4.340 -0.133 0.000 0.227 541 L C 1.181 178.016 176.870 -0.059 0.000 1.127 541 L CA 0.361 55.138 54.840 -0.104 0.000 0.884 541 L CB 0.542 42.510 42.059 -0.151 0.000 1.065 541 L HN 0.320 nan 8.230 nan 0.000 0.457 542 G N -0.488 108.289 108.800 -0.039 0.000 2.134 542 G HA2 -0.013 3.867 3.960 -0.133 0.000 0.209 542 G HA3 -0.013 3.867 3.960 -0.133 0.000 0.209 542 G C 0.586 175.437 174.900 -0.082 0.000 0.993 542 G CA -0.110 44.970 45.100 -0.034 0.000 0.669 542 G HN 0.786 nan 8.290 nan 0.000 0.519 543 G N -0.976 107.738 108.800 -0.143 0.000 2.725 543 G HA2 0.113 3.993 3.960 -0.133 0.000 0.220 543 G HA3 0.113 3.993 3.960 -0.133 0.000 0.220 543 G C -0.842 173.758 174.900 -0.500 0.000 1.357 543 G CA 0.243 45.069 45.100 -0.457 0.000 0.866 543 G HN 0.614 nan 8.290 nan 0.000 0.548 544 P HA -0.080 nan 4.420 nan 0.000 0.217 544 P C 2.025 179.199 177.300 -0.210 0.000 1.151 544 P CA 2.540 65.413 63.100 -0.379 0.000 0.849 544 P CB -0.268 31.272 31.700 -0.267 0.000 0.787 545 G N -0.491 108.210 108.800 -0.166 0.000 2.448 545 G HA2 -0.146 3.734 3.960 -0.133 0.000 0.219 545 G HA3 -0.146 3.734 3.960 -0.133 0.000 0.219 545 G C 1.370 176.236 174.900 -0.057 0.000 1.127 545 G CA 0.808 45.858 45.100 -0.084 0.000 0.766 545 G HN 0.390 nan 8.290 nan 0.000 0.552 546 A N -1.011 121.759 122.820 -0.082 0.000 2.390 546 A HA 0.631 4.871 4.320 -0.133 0.000 0.232 546 A C 0.134 177.695 177.584 -0.038 0.000 1.233 546 A CA 0.353 52.366 52.037 -0.040 0.000 0.907 546 A CB 0.552 19.529 19.000 -0.040 0.000 0.967 546 A HN 0.791 nan 8.150 nan 0.000 0.512 547 V N -0.186 119.670 119.914 -0.096 0.000 2.924 547 V HA 0.520 4.560 4.120 -0.133 0.000 0.300 547 V C -2.170 173.782 176.094 -0.238 0.000 1.227 547 V CA -0.573 61.655 62.300 -0.119 0.000 0.954 547 V CB 2.146 33.909 31.823 -0.100 0.000 1.055 547 V HN 0.346 nan 8.190 nan 0.000 0.429 548 Q N 4.285 123.859 119.800 -0.377 0.000 2.314 548 Q HA 0.649 4.910 4.340 -0.133 0.000 0.259 548 Q C -1.255 174.491 176.000 -0.424 0.000 0.951 548 Q CA -0.252 55.177 55.803 -0.623 0.000 0.909 548 Q CB 1.827 29.654 28.738 -1.519 0.000 1.236 548 Q HN 0.725 nan 8.270 nan 0.000 0.444 549 V N 6.116 125.855 119.914 -0.292 0.000 2.498 549 V HA 0.370 4.410 4.120 -0.133 0.000 0.279 549 V C -0.006 175.985 176.094 -0.173 0.000 1.048 549 V CA -0.346 61.846 62.300 -0.180 0.000 0.967 549 V CB 0.668 32.441 31.823 -0.083 0.000 0.988 549 V HN 0.742 nan 8.190 nan 0.000 0.473 550 L N 4.080 125.233 121.223 -0.116 0.000 2.354 550 L HA 0.788 5.048 4.340 -0.133 0.000 0.269 550 L C -0.151 176.712 176.870 -0.012 0.000 1.005 550 L CA -0.302 54.508 54.840 -0.049 0.000 0.819 550 L CB 2.374 44.438 42.059 0.008 0.000 1.311 550 L HN 0.684 nan 8.230 nan 0.000 0.423 551 T N 0.291 114.834 114.554 -0.019 0.000 2.900 551 T HA 0.457 4.727 4.350 -0.133 0.000 0.303 551 T C -2.397 172.234 174.700 -0.116 0.000 1.142 551 T CA -1.608 60.440 62.100 -0.087 0.000 1.007 551 T CB 2.201 71.028 68.868 -0.069 0.000 1.156 551 T HN 0.237 nan 8.240 nan 0.000 0.490 552 P HA 0.110 nan 4.420 nan 0.000 0.219 552 P C 0.362 177.617 177.300 -0.076 0.000 1.150 552 P CA 0.995 64.004 63.100 -0.152 0.000 0.814 552 P CB 0.041 31.601 31.700 -0.233 0.000 0.787 553 M N -4.718 114.808 119.600 -0.122 0.000 2.631 553 M HA 0.507 4.907 4.480 -0.133 0.000 0.288 553 M C 0.658 176.966 176.300 0.014 0.000 1.260 553 M CA -0.967 54.321 55.300 -0.019 0.000 0.842 553 M CB 2.695 35.311 32.600 0.027 0.000 1.743 553 M HN -0.466 nan 8.290 nan 0.000 0.461 554 R N 0.576 121.095 120.500 0.033 0.000 2.090 554 R HA 0.194 4.454 4.340 -0.133 0.000 0.219 554 R C 0.155 176.492 176.300 0.061 0.000 1.100 554 R CA 0.946 57.074 56.100 0.046 0.000 0.991 554 R CB 0.511 30.832 30.300 0.036 0.000 0.893 554 R HN 0.546 nan 8.270 nan 0.000 0.443 555 K N 0.154 120.587 120.400 0.055 0.000 2.139 555 K HA 0.432 4.672 4.320 -0.133 0.000 0.243 555 K C 0.078 176.717 176.600 0.064 0.000 0.983 555 K CA 0.252 56.568 56.287 0.048 0.000 0.890 555 K CB 1.374 33.892 32.500 0.030 0.000 1.090 555 K HN 0.361 nan 8.250 nan 0.000 0.445 556 G N 1.059 109.874 108.800 0.025 0.000 2.710 556 G HA2 -0.155 3.725 3.960 -0.133 0.000 0.668 556 G HA3 -0.155 3.725 3.960 -0.133 0.000 0.668 556 G C -2.874 172.018 174.900 -0.013 0.000 1.320 556 G CA -1.214 43.886 45.100 0.001 0.000 0.860 556 G HN 0.355 nan 8.290 nan 0.000 0.538 557 P HA 0.356 nan 4.420 nan 0.000 0.262 557 P C 1.144 178.558 177.300 0.190 0.000 1.182 557 P CA 0.481 63.555 63.100 -0.043 0.000 0.761 557 P CB 0.070 31.710 31.700 -0.101 0.000 0.795 558 L N -0.073 121.414 121.223 0.440 0.000 3.976 558 L HA -0.263 3.997 4.340 -0.133 0.000 0.418 558 L C 1.104 178.173 176.870 0.331 0.000 1.177 558 L CA 0.666 55.709 54.840 0.339 0.000 0.968 558 L CB -2.227 39.993 42.059 0.270 0.000 1.933 558 L HN 0.571 nan 8.230 nan 0.000 0.976 559 G N -0.805 108.168 108.800 0.289 0.000 2.563 559 G HA2 0.371 4.251 3.960 -0.133 0.000 0.283 559 G HA3 0.371 4.251 3.960 -0.133 0.000 0.283 559 G C 0.767 175.760 174.900 0.155 0.000 1.309 559 G CA 0.069 45.278 45.100 0.183 0.000 1.022 559 G HN 0.144 nan 8.290 nan 0.000 0.501 560 M N -0.661 119.001 119.600 0.104 0.000 2.132 560 M HA -0.086 4.314 4.480 -0.133 0.000 0.263 560 M C 1.805 178.184 176.300 0.131 0.000 1.065 560 M CA 1.804 57.163 55.300 0.099 0.000 1.122 560 M CB -0.241 32.404 32.600 0.075 0.000 1.365 560 M HN 0.499 nan 8.290 nan 0.000 0.411 561 D N -0.771 119.708 120.400 0.130 0.000 2.117 561 D HA -0.232 4.328 4.640 -0.133 0.000 0.197 561 D C 1.852 178.285 176.300 0.221 0.000 0.987 561 D CA 1.420 55.506 54.000 0.143 0.000 0.829 561 D CB -0.847 40.011 40.800 0.097 0.000 0.961 561 D HN 0.610 nan 8.370 nan 0.000 0.460 562 H N 0.402 119.539 119.070 0.110 0.000 2.319 562 H HA -0.068 4.408 4.556 -0.133 0.000 0.299 562 H C 2.330 177.805 175.328 0.245 0.000 1.092 562 H CA 0.864 57.005 56.048 0.156 0.000 1.302 562 H CB -0.009 29.819 29.762 0.110 0.000 1.373 562 H HN 0.058 nan 8.280 nan 0.000 0.497 563 L N 0.204 121.538 121.223 0.184 0.000 2.017 563 L HA -0.204 4.056 4.340 -0.133 0.000 0.208 563 L C 2.258 179.205 176.870 0.129 0.000 1.073 563 L CA 1.490 56.387 54.840 0.095 0.000 0.745 563 L CB -0.585 41.518 42.059 0.073 0.000 0.894 563 L HN 0.398 nan 8.230 nan 0.000 0.432 564 N N -0.926 117.864 118.700 0.149 0.000 2.094 564 N HA -0.294 4.366 4.740 -0.133 0.000 0.191 564 N C 1.866 177.410 175.510 0.057 0.000 1.023 564 N CA 1.505 54.638 53.050 0.137 0.000 0.857 564 N CB -0.270 38.323 38.487 0.177 0.000 1.013 564 N HN 0.280 nan 8.380 nan 0.000 0.426 565 Y N 1.221 121.519 120.300 -0.004 0.000 2.114 565 Y HA -0.293 4.177 4.550 -0.134 0.000 0.282 565 Y C 2.342 178.099 175.900 -0.238 0.000 1.165 565 Y CA 1.732 59.762 58.100 -0.117 0.000 1.148 565 Y CB -0.249 38.128 38.460 -0.139 0.000 0.972 565 Y HN 0.257 nan 8.280 nan 0.000 0.504 566 H N -1.140 117.868 119.070 -0.103 0.000 2.403 566 H HA -0.082 4.395 4.556 -0.133 0.000 0.298 566 H C 2.182 177.324 175.328 -0.310 0.000 1.059 566 H CA 1.263 57.176 56.048 -0.226 0.000 1.363 566 H CB 0.035 29.737 29.762 -0.100 0.000 1.410 566 H HN 0.313 nan 8.280 nan 0.000 0.528 567 L N 1.221 122.366 121.223 -0.130 0.000 2.017 567 L HA -0.191 4.069 4.340 -0.133 0.000 0.208 567 L C 2.646 179.187 176.870 -0.549 0.000 1.073 567 L CA 1.493 56.224 54.840 -0.183 0.000 0.745 567 L CB -1.289 40.700 42.059 -0.117 0.000 0.894 567 L HN 0.328 nan 8.230 nan 0.000 0.432 568 Q N -0.765 118.597 119.800 -0.730 0.000 2.084 568 Q HA -0.184 4.076 4.340 -0.133 0.000 0.202 568 Q C 2.185 177.918 176.000 -0.446 0.000 0.978 568 Q CA 1.809 57.204 55.803 -0.681 0.000 0.844 568 Q CB 0.049 28.576 28.738 -0.352 0.000 0.898 568 Q HN 0.459 nan 8.270 nan 0.000 0.426 569 A N 1.215 123.717 122.820 -0.531 0.000 1.908 569 A HA -0.187 4.053 4.320 -0.133 0.000 0.218 569 A C 2.003 179.357 177.584 -0.382 0.000 1.181 569 A CA 1.316 53.056 52.037 -0.495 0.000 0.627 569 A CB -0.710 17.870 19.000 -0.700 0.000 0.818 569 A HN 0.534 nan 8.150 nan 0.000 0.445 570 L N -2.394 118.550 121.223 -0.464 0.000 2.209 570 L HA 0.117 4.377 4.340 -0.133 0.000 0.207 570 L C 1.847 178.335 176.870 -0.637 0.000 1.094 570 L CA 1.546 56.023 54.840 -0.606 0.000 0.790 570 L CB -0.330 41.197 42.059 -0.887 0.000 0.932 570 L HN 0.493 nan 8.230 nan 0.000 0.447 571 F N -1.088 118.742 119.950 -0.200 0.000 2.602 571 F HA 0.143 4.590 4.527 -0.133 0.000 0.284 571 F C 1.431 177.190 175.800 -0.069 0.000 1.111 571 F CA 0.010 57.941 58.000 -0.114 0.000 1.405 571 F CB 0.424 39.370 39.000 -0.089 0.000 1.121 571 F HN 0.052 nan 8.300 nan 0.000 0.603 572 N N 1.289 120.010 118.700 0.036 0.000 2.813 572 N HA 0.211 4.871 4.740 -0.133 0.000 0.282 572 N C -2.870 172.613 175.510 -0.045 0.000 1.748 572 N CA -1.650 51.425 53.050 0.043 0.000 0.860 572 N CB 0.893 39.465 38.487 0.142 0.000 1.204 572 N HN -0.184 nan 8.380 nan 0.000 0.490 573 P HA 0.261 nan 4.420 nan 0.000 0.269 573 P C 0.278 177.542 177.300 -0.059 0.000 1.215 573 P CA 0.467 63.507 63.100 -0.100 0.000 0.780 573 P CB 1.159 32.800 31.700 -0.098 0.000 0.898 574 G N -0.293 108.473 108.800 -0.058 0.000 2.343 574 G HA2 0.323 4.203 3.960 -0.133 0.000 0.289 574 G HA3 0.323 4.203 3.960 -0.133 0.000 0.289 574 G C -2.029 172.855 174.900 -0.027 0.000 1.295 574 G CA -0.494 44.587 45.100 -0.032 0.000 0.869 574 G HN 0.578 nan 8.290 nan 0.000 0.522 575 E N -1.442 118.751 120.200 -0.011 0.000 2.446 575 E HA 0.525 4.795 4.350 -0.133 0.000 0.276 575 E C 0.419 177.023 176.600 0.006 0.000 0.969 575 E CA -0.309 56.090 56.400 -0.003 0.000 0.800 575 E CB 1.702 31.401 29.700 -0.002 0.000 1.341 575 E HN 2.256 nan 8.360 nan 0.000 0.460 576 G N 0.939 109.746 108.800 0.013 0.000 2.314 576 G HA2 -0.201 3.679 3.960 -0.133 0.000 0.292 576 G HA3 -0.201 3.679 3.960 -0.133 0.000 0.292 576 G C 0.210 175.122 174.900 0.021 0.000 1.059 576 G CA 0.389 45.499 45.100 0.017 0.000 0.982 576 G HN 0.615 nan 8.290 nan 0.000 0.505 577 G N -1.788 107.028 108.800 0.027 0.000 2.537 577 G HA2 0.653 4.533 3.960 -0.133 0.000 0.297 577 G HA3 0.653 4.533 3.960 -0.133 0.000 0.297 577 G C 0.106 175.031 174.900 0.042 0.000 1.310 577 G CA -0.236 44.883 45.100 0.033 0.000 1.027 577 G HN 0.874 nan 8.290 nan 0.000 0.505 578 V N 1.224 121.167 119.914 0.048 0.000 2.461 578 V HA 0.226 4.266 4.120 -0.133 0.000 0.275 578 V C 0.789 176.932 176.094 0.082 0.000 1.047 578 V CA -0.423 61.914 62.300 0.061 0.000 0.955 578 V CB 0.847 32.705 31.823 0.058 0.000 0.988 578 V HN 0.550 nan 8.190 nan 0.000 0.471 579 R N 5.172 125.731 120.500 0.098 0.000 2.537 579 R HA 0.404 4.664 4.340 -0.133 0.000 0.280 579 R C -0.018 176.388 176.300 0.177 0.000 1.058 579 R CA 0.112 56.285 56.100 0.121 0.000 1.057 579 R CB 0.537 30.915 30.300 0.130 0.000 0.973 579 R HN 0.797 nan 8.270 nan 0.000 0.438 580 I N -1.496 119.159 120.570 0.142 0.000 3.595 580 I HA 0.455 4.545 4.170 -0.133 0.000 0.289 580 I C 1.166 177.289 176.117 0.011 0.000 1.145 580 I CA -0.908 60.494 61.300 0.170 0.000 1.071 580 I CB 0.879 38.964 38.000 0.142 0.000 1.364 580 I HN 0.502 nan 8.210 nan 0.000 0.486 581 A N 0.308 123.115 122.820 -0.022 0.000 1.909 581 A HA -0.219 4.021 4.320 -0.133 0.000 0.221 581 A C 0.862 178.330 177.584 -0.194 0.000 1.223 581 A CA 2.351 54.274 52.037 -0.191 0.000 0.658 581 A CB -0.824 18.147 19.000 -0.049 0.000 0.831 581 A HN 0.819 nan 8.150 nan 0.000 0.462 582 E N -4.059 116.101 120.200 -0.066 0.000 2.331 582 E HA 0.497 4.767 4.350 -0.133 0.000 0.275 582 E C 0.116 176.730 176.600 0.023 0.000 0.895 582 E CA 0.456 56.836 56.400 -0.034 0.000 0.753 582 E CB 1.708 31.403 29.700 -0.007 0.000 1.216 582 E HN 1.188 nan 8.360 nan 0.000 0.434 583 G N 2.432 111.253 108.800 0.035 0.000 2.645 583 G HA2 -0.247 3.633 3.960 -0.133 0.000 0.246 583 G HA3 -0.247 3.633 3.960 -0.133 0.000 0.246 583 G C -0.615 174.326 174.900 0.068 0.000 1.322 583 G CA -0.072 45.070 45.100 0.071 0.000 0.898 583 G HN 0.537 nan 8.290 nan 0.000 0.573 584 E N -0.462 119.784 120.200 0.075 0.000 2.288 584 E HA 0.605 4.875 4.350 -0.133 0.000 0.268 584 E C 0.044 176.688 176.600 0.074 0.000 0.885 584 E CA -0.377 56.065 56.400 0.070 0.000 0.767 584 E CB 1.960 31.694 29.700 0.057 0.000 1.220 584 E HN 1.047 nan 8.360 nan 0.000 0.427 585 A N 3.156 126.019 122.820 0.071 0.000 2.304 585 A HA 0.634 4.874 4.320 -0.133 0.000 0.323 585 A C -0.452 177.162 177.584 0.050 0.000 1.195 585 A CA -0.475 51.602 52.037 0.066 0.000 0.826 585 A CB 0.652 19.688 19.000 0.061 0.000 1.184 585 A HN 0.561 nan 8.150 nan 0.000 0.496 586 R N 2.195 122.725 120.500 0.050 0.000 2.854 586 R HA 0.532 4.792 4.340 -0.133 0.000 0.271 586 R C -2.865 173.451 176.300 0.027 0.000 0.994 586 R CA -2.236 53.885 56.100 0.036 0.000 0.945 586 R CB 1.808 32.129 30.300 0.035 0.000 1.194 586 R HN 0.458 nan 8.270 nan 0.000 0.476 587 P HA -0.119 nan 4.420 nan 0.000 0.263 587 P C 0.572 177.881 177.300 0.015 0.000 1.175 587 P CA 1.197 64.299 63.100 0.004 0.000 0.761 587 P CB 0.450 32.152 31.700 0.003 0.000 0.794 588 G N 1.793 110.592 108.800 -0.000 0.000 2.217 588 G HA2 -0.180 3.700 3.960 -0.133 0.000 0.246 588 G HA3 -0.180 3.700 3.960 -0.133 0.000 0.246 588 G C -0.104 174.801 174.900 0.008 0.000 0.990 588 G CA -0.171 44.935 45.100 0.011 0.000 0.627 588 G HN 0.523 nan 8.290 nan 0.000 0.522 589 D N 1.588 121.991 120.400 0.004 0.000 2.302 589 D HA 0.531 5.091 4.640 -0.133 0.000 0.248 589 D C 0.796 176.973 176.300 -0.206 0.000 1.094 589 D CA 0.436 54.411 54.000 -0.041 0.000 0.897 589 D CB 1.120 41.964 40.800 0.073 0.000 1.200 589 D HN 0.138 nan 8.370 nan 0.000 0.429 590 T N 0.701 114.990 114.554 -0.442 0.000 2.904 590 T HA 0.462 4.732 4.350 -0.133 0.000 0.290 590 T C 0.156 174.735 174.700 -0.202 0.000 1.018 590 T CA -0.485 61.415 62.100 -0.333 0.000 1.075 590 T CB 1.205 69.827 68.868 -0.409 0.000 0.986 590 T HN 0.006 nan 8.240 nan 0.000 0.523 591 V N 1.920 121.761 119.914 -0.120 0.000 3.049 591 V HA 0.587 4.627 4.120 -0.133 0.000 0.309 591 V C -0.863 175.279 176.094 0.080 0.000 1.148 591 V CA -0.734 61.556 62.300 -0.017 0.000 0.990 591 V CB 2.587 34.394 31.823 -0.026 0.000 1.039 591 V HN 0.715 nan 8.190 nan 0.000 0.430 592 V N 2.590 122.585 119.914 0.136 0.000 2.588 592 V HA 0.479 4.519 4.120 -0.133 0.000 0.304 592 V C -0.483 175.729 176.094 0.195 0.000 1.042 592 V CA -0.787 61.619 62.300 0.177 0.000 0.877 592 V CB 1.799 33.694 31.823 0.120 0.000 0.996 592 V HN 0.914 nan 8.190 nan 0.000 0.425 593 Q N 2.187 122.104 119.800 0.195 0.000 2.288 593 Q HA 0.345 4.605 4.340 -0.133 0.000 0.258 593 Q C 0.881 176.922 176.000 0.069 0.000 0.957 593 Q CA 0.418 56.276 55.803 0.091 0.000 0.919 593 Q CB 1.532 30.222 28.738 -0.081 0.000 1.185 593 Q HN 0.966 nan 8.270 nan 0.000 0.408 594 T N 0.073 114.668 114.554 0.068 0.000 3.022 594 T HA 0.241 4.511 4.350 -0.133 0.000 0.250 594 T C -0.095 174.640 174.700 0.059 0.000 1.060 594 T CA 0.229 62.369 62.100 0.067 0.000 1.013 594 T CB 0.009 68.921 68.868 0.073 0.000 0.982 594 T HN 0.592 nan 8.240 nan 0.000 0.508 595 K N 0.250 120.677 120.400 0.045 0.000 2.536 595 K HA 0.551 4.791 4.320 -0.133 0.000 0.269 595 K C -1.642 174.944 176.600 -0.022 0.000 0.965 595 K CA -1.098 55.213 56.287 0.040 0.000 0.860 595 K CB 0.623 33.162 32.500 0.064 0.000 1.423 595 K HN -0.271 nan 8.250 nan 0.000 0.438 596 N N 1.707 120.362 118.700 -0.075 0.000 2.412 596 N HA -0.018 4.642 4.740 -0.133 0.000 0.258 596 N C -1.078 174.236 175.510 -0.326 0.000 1.236 596 N CA 0.193 53.043 53.050 -0.334 0.000 0.882 596 N CB 0.382 38.444 38.487 -0.709 0.000 1.066 596 N HN 0.626 nan 8.380 nan 0.000 0.465 597 D N 2.079 122.272 120.400 -0.345 0.000 2.428 597 D HA 0.088 4.648 4.640 -0.133 0.000 0.221 597 D C 0.237 176.358 176.300 -0.298 0.000 1.123 597 D CA -0.371 53.495 54.000 -0.223 0.000 0.869 597 D CB 0.151 40.843 40.800 -0.179 0.000 1.032 597 D HN 0.382 nan 8.370 nan 0.000 0.506 598 Y N 2.494 122.709 120.300 -0.143 0.000 2.439 598 Y HA -0.079 4.391 4.550 -0.133 0.000 0.292 598 Y C 1.827 177.647 175.900 -0.133 0.000 1.130 598 Y CA 0.805 58.805 58.100 -0.166 0.000 1.254 598 Y CB -0.058 38.303 38.460 -0.165 0.000 1.000 598 Y HN 0.430 nan 8.280 nan 0.000 0.554 599 N N -0.270 118.447 118.700 0.028 0.000 2.173 599 N HA -0.127 4.533 4.740 -0.133 0.000 0.184 599 N C 1.096 176.586 175.510 -0.033 0.000 1.025 599 N CA 1.187 54.235 53.050 -0.003 0.000 0.852 599 N CB -0.129 38.358 38.487 -0.000 0.000 0.998 599 N HN 0.186 nan 8.380 nan 0.000 0.427 600 N N 0.950 119.614 118.700 -0.059 0.000 2.336 600 N HA 0.012 4.672 4.740 -0.133 0.000 0.189 600 N C -0.699 174.751 175.510 -0.100 0.000 1.113 600 N CA 0.295 53.306 53.050 -0.064 0.000 0.858 600 N CB 0.248 38.699 38.487 -0.060 0.000 0.970 600 N HN 0.275 nan 8.380 nan 0.000 0.471 601 E N 0.431 120.544 120.200 -0.145 0.000 2.320 601 E HA -0.191 4.079 4.350 -0.133 0.000 0.234 601 E C -0.750 175.726 176.600 -0.208 0.000 1.183 601 E CA 0.346 56.635 56.400 -0.185 0.000 0.713 601 E CB -1.619 28.019 29.700 -0.103 0.000 1.226 601 E HN 0.450 nan 8.360 nan 0.000 0.382 602 I N 0.819 121.217 120.570 -0.287 0.000 2.339 602 I HA 0.327 4.417 4.170 -0.133 0.000 0.290 602 I C 0.486 176.428 176.117 -0.292 0.000 0.994 602 I CA -0.852 60.251 61.300 -0.329 0.000 1.191 602 I CB 0.501 38.163 38.000 -0.565 0.000 1.343 602 I HN -0.088 nan 8.210 nan 0.000 0.458 603 F N 4.887 124.694 119.950 -0.237 0.000 2.406 603 F HA 0.204 4.652 4.527 -0.132 0.000 0.327 603 F C 1.029 176.720 175.800 -0.183 0.000 1.153 603 F CA -0.335 57.540 58.000 -0.207 0.000 1.218 603 F CB 0.529 39.441 39.000 -0.148 0.000 1.215 603 F HN 0.446 nan 8.300 nan 0.000 0.570 604 N N 1.561 120.530 118.700 0.448 0.000 2.438 604 N HA 0.219 4.879 4.740 -0.133 0.000 0.267 604 N C 0.556 176.106 175.510 0.068 0.000 1.222 604 N CA 1.156 54.304 53.050 0.163 0.000 0.930 604 N CB 0.303 38.874 38.487 0.140 0.000 1.083 604 N HN 0.821 nan 8.380 nan 0.000 0.476 605 G N 1.841 110.677 108.800 0.058 0.000 2.134 605 G HA2 -0.223 3.657 3.960 -0.133 0.000 0.209 605 G HA3 -0.223 3.657 3.960 -0.133 0.000 0.209 605 G C -0.013 174.932 174.900 0.074 0.000 0.993 605 G CA 0.165 45.299 45.100 0.056 0.000 0.669 605 G HN 0.654 nan 8.290 nan 0.000 0.519 606 T N 1.481 116.084 114.554 0.082 0.000 2.870 606 T HA 0.515 4.785 4.350 -0.133 0.000 0.300 606 T C 0.824 175.690 174.700 0.277 0.000 0.989 606 T CA 0.002 62.184 62.100 0.137 0.000 1.139 606 T CB 1.629 70.530 68.868 0.054 0.000 0.920 606 T HN 0.308 nan 8.240 nan 0.000 0.537 607 L N 2.537 123.911 121.223 0.252 0.000 2.350 607 L HA 0.641 4.901 4.340 -0.133 0.000 0.275 607 L C 0.908 177.899 176.870 0.202 0.000 1.099 607 L CA -0.289 54.673 54.840 0.204 0.000 0.808 607 L CB 0.961 43.087 42.059 0.112 0.000 1.149 607 L HN 0.792 nan 8.230 nan 0.000 0.442 608 G N 3.095 111.862 108.800 -0.055 0.000 2.642 608 G HA2 0.598 4.478 3.960 -0.133 0.000 0.293 608 G HA3 0.598 4.478 3.960 -0.133 0.000 0.293 608 G C -1.434 173.244 174.900 -0.370 0.000 1.341 608 G CA -0.541 44.230 45.100 -0.548 0.000 0.916 608 G HN 0.293 nan 8.290 nan 0.000 0.474 609 M N 1.823 121.203 119.600 -0.366 0.000 2.125 609 M HA 0.349 4.749 4.480 -0.133 0.000 0.321 609 M C -0.412 175.757 176.300 -0.218 0.000 0.983 609 M CA -0.852 54.311 55.300 -0.228 0.000 0.934 609 M CB 1.250 33.760 32.600 -0.150 0.000 1.542 609 M HN 0.190 nan 8.290 nan 0.000 0.424 610 V N 6.230 126.046 119.914 -0.164 0.000 2.446 610 V HA 0.041 4.081 4.120 -0.133 0.000 0.276 610 V C 1.317 177.368 176.094 -0.072 0.000 1.030 610 V CA -0.139 62.094 62.300 -0.111 0.000 1.033 610 V CB 0.425 32.210 31.823 -0.063 0.000 0.993 610 V HN 0.718 nan 8.190 nan 0.000 0.477 611 L N 3.175 124.360 121.223 -0.063 0.000 2.253 611 L HA 0.332 4.592 4.340 -0.133 0.000 0.205 611 L C 0.761 177.619 176.870 -0.020 0.000 1.078 611 L CA 1.111 55.927 54.840 -0.039 0.000 0.805 611 L CB -0.484 41.553 42.059 -0.037 0.000 0.963 611 L HN 0.642 nan 8.230 nan 0.000 0.459 612 K N -0.681 119.709 120.400 -0.016 0.000 2.562 612 K HA 0.649 4.889 4.320 -0.133 0.000 0.267 612 K C -1.666 174.935 176.600 0.003 0.000 0.938 612 K CA -0.162 56.123 56.287 -0.004 0.000 0.840 612 K CB 2.096 34.596 32.500 -0.000 0.000 1.390 612 K HN -0.080 nan 8.250 nan 0.000 0.428 613 A N 2.752 125.578 122.820 0.009 0.000 2.363 613 A HA 0.588 4.828 4.320 -0.133 0.000 0.296 613 A C -1.337 176.257 177.584 0.017 0.000 1.237 613 A CA -0.424 51.624 52.037 0.017 0.000 0.773 613 A CB 0.593 19.608 19.000 0.024 0.000 1.153 613 A HN 0.651 nan 8.150 nan 0.000 0.473 614 E N 2.589 122.799 120.200 0.017 0.000 2.244 614 E HA 0.532 4.802 4.350 -0.133 0.000 0.260 614 E C 0.768 177.377 176.600 0.015 0.000 0.884 614 E CA 0.418 56.826 56.400 0.014 0.000 0.777 614 E CB 1.163 30.869 29.700 0.011 0.000 1.197 614 E HN 1.659 nan 8.360 nan 0.000 0.416 615 G N 3.432 112.242 108.800 0.015 0.000 2.531 615 G HA2 -0.328 3.552 3.960 -0.133 0.000 0.274 615 G HA3 -0.328 3.552 3.960 -0.133 0.000 0.274 615 G C 0.409 175.322 174.900 0.021 0.000 1.159 615 G CA 0.011 45.121 45.100 0.016 0.000 0.969 615 G HN 1.016 nan 8.290 nan 0.000 0.554 616 A N 0.252 123.083 122.820 0.019 0.000 2.842 616 A HA 0.685 4.925 4.320 -0.133 0.000 0.298 616 A C 0.736 178.333 177.584 0.022 0.000 1.293 616 A CA 1.057 53.108 52.037 0.024 0.000 0.959 616 A CB -0.122 18.887 19.000 0.016 0.000 1.119 616 A HN 0.809 nan 8.150 nan 0.000 0.564 617 R N -0.076 120.438 120.500 0.023 0.000 2.561 617 R HA 0.653 4.913 4.340 -0.133 0.000 0.297 617 R C -1.925 174.393 176.300 0.029 0.000 0.969 617 R CA -0.636 55.478 56.100 0.024 0.000 0.879 617 R CB 1.207 31.517 30.300 0.017 0.000 1.178 617 R HN 0.268 nan 8.270 nan 0.000 0.445 618 L N 3.582 124.827 121.223 0.037 0.000 2.305 618 L HA 0.448 4.709 4.340 -0.133 0.000 0.284 618 L C -0.644 176.246 176.870 0.034 0.000 1.013 618 L CA -0.072 54.791 54.840 0.037 0.000 0.819 618 L CB 1.988 44.080 42.059 0.055 0.000 1.227 618 L HN 0.775 nan 8.230 nan 0.000 0.417 619 T N 2.676 117.239 114.554 0.014 0.000 2.753 619 T HA 0.711 4.981 4.350 -0.133 0.000 0.297 619 T C -0.539 174.143 174.700 -0.031 0.000 0.981 619 T CA -0.596 61.509 62.100 0.007 0.000 0.956 619 T CB 0.690 69.560 68.868 0.003 0.000 0.936 619 T HN 0.274 nan 8.240 nan 0.000 0.463 620 V N 3.444 123.331 119.914 -0.045 0.000 2.540 620 V HA 0.441 4.481 4.120 -0.133 0.000 0.302 620 V C -0.362 175.600 176.094 -0.221 0.000 1.035 620 V CA -0.972 61.201 62.300 -0.211 0.000 0.873 620 V CB 1.822 33.403 31.823 -0.404 0.000 0.992 620 V HN 0.940 nan 8.190 nan 0.000 0.428 621 D N 3.776 124.022 120.400 -0.255 0.000 2.411 621 D HA 0.296 4.856 4.640 -0.133 0.000 0.225 621 D C -0.811 175.341 176.300 -0.247 0.000 1.156 621 D CA -0.272 53.637 54.000 -0.152 0.000 0.874 621 D CB 0.317 41.065 40.800 -0.087 0.000 1.034 621 D HN 0.294 nan 8.370 nan 0.000 0.502 622 F N 2.798 122.755 119.950 0.011 0.000 2.377 622 F HA 0.156 4.603 4.527 -0.134 0.000 0.360 622 F C 1.126 176.936 175.800 0.017 0.000 1.147 622 F CA -0.760 57.250 58.000 0.015 0.000 1.170 622 F CB 0.515 39.527 39.000 0.020 0.000 1.339 622 F HN 0.266 nan 8.300 nan 0.000 0.552 623 D N 2.636 123.118 120.400 0.138 0.000 2.708 623 D HA -0.207 4.353 4.640 -0.133 0.000 0.236 623 D C 1.145 177.496 176.300 0.084 0.000 1.146 623 D CA 1.531 55.591 54.000 0.100 0.000 0.662 623 D CB -0.929 39.943 40.800 0.119 0.000 1.059 623 D HN 0.960 nan 8.370 nan 0.000 0.428 624 G N 0.158 108.999 108.800 0.068 0.000 2.308 624 G HA2 -0.358 3.522 3.960 -0.133 0.000 0.221 624 G HA3 -0.358 3.522 3.960 -0.133 0.000 0.221 624 G C 0.350 175.292 174.900 0.069 0.000 1.032 624 G CA 0.168 45.301 45.100 0.055 0.000 0.623 624 G HN 0.691 nan 8.290 nan 0.000 0.506 625 N N 1.253 120.018 118.700 0.108 0.000 2.549 625 N HA 0.351 5.011 4.740 -0.133 0.000 0.267 625 N C 0.235 175.832 175.510 0.144 0.000 1.182 625 N CA -0.185 52.938 53.050 0.122 0.000 1.019 625 N CB 0.205 38.776 38.487 0.140 0.000 1.380 625 N HN 0.149 nan 8.380 nan 0.000 0.505 626 V N 3.623 123.589 119.914 0.085 0.000 2.470 626 V HA 0.127 4.167 4.120 -0.133 0.000 0.276 626 V C 0.251 176.396 176.094 0.085 0.000 1.040 626 V CA -0.091 62.249 62.300 0.067 0.000 1.008 626 V CB 0.983 32.825 31.823 0.031 0.000 0.990 626 V HN 0.297 nan 8.190 nan 0.000 0.477 627 V N 5.489 125.471 119.914 0.113 0.000 2.655 627 V HA 0.479 4.519 4.120 -0.133 0.000 0.301 627 V C -0.389 175.771 176.094 0.110 0.000 1.082 627 V CA -0.481 61.892 62.300 0.123 0.000 0.899 627 V CB 2.119 34.050 31.823 0.180 0.000 1.014 627 V HN 0.980 nan 8.190 nan 0.000 0.429 628 E N 6.110 126.353 120.200 0.071 0.000 2.259 628 E HA 0.542 4.812 4.350 -0.133 0.000 0.281 628 E C -1.175 175.461 176.600 0.061 0.000 1.027 628 E CA -0.479 55.955 56.400 0.057 0.000 0.838 628 E CB 1.460 31.181 29.700 0.035 0.000 1.066 628 E HN 0.417 nan 8.360 nan 0.000 0.401 629 L N 2.417 123.680 121.223 0.067 0.000 2.354 629 L HA 0.585 4.845 4.340 -0.133 0.000 0.269 629 L C 0.193 177.089 176.870 0.042 0.000 1.005 629 L CA -0.498 54.381 54.840 0.065 0.000 0.819 629 L CB 1.630 43.752 42.059 0.104 0.000 1.311 629 L HN 0.771 nan 8.230 nan 0.000 0.423 630 T N -2.150 112.417 114.554 0.022 0.000 2.739 630 T HA 0.749 5.019 4.350 -0.133 0.000 0.303 630 T C 0.220 174.896 174.700 -0.039 0.000 1.389 630 T CA -0.115 61.983 62.100 -0.002 0.000 1.001 630 T CB 1.312 70.176 68.868 -0.008 0.000 1.436 630 T HN 1.285 nan 8.240 nan 0.000 0.500 631 G N 1.144 109.896 108.800 -0.080 0.000 2.591 631 G HA2 -0.022 3.858 3.960 -0.133 0.000 0.298 631 G HA3 -0.022 3.858 3.960 -0.133 0.000 0.298 631 G C 1.295 176.041 174.900 -0.257 0.000 1.195 631 G CA 1.559 46.569 45.100 -0.150 0.000 0.989 631 G HN 1.932 nan 8.290 nan 0.000 0.551 632 A N 0.283 122.975 122.820 -0.214 0.000 1.930 632 A HA 0.110 4.350 4.320 -0.133 0.000 0.217 632 A C 2.151 179.679 177.584 -0.093 0.000 1.175 632 A CA 2.368 54.270 52.037 -0.225 0.000 0.627 632 A CB -0.539 18.394 19.000 -0.112 0.000 0.815 632 A HN 1.246 nan 8.150 nan 0.000 0.443 633 E N -0.344 119.835 120.200 -0.034 0.000 2.511 633 E HA -0.036 4.234 4.350 -0.133 0.000 0.196 633 E C 1.065 177.712 176.600 0.080 0.000 1.066 633 E CA 0.312 56.731 56.400 0.032 0.000 0.871 633 E CB -0.147 29.566 29.700 0.022 0.000 0.863 633 E HN 0.402 nan 8.360 nan 0.000 0.520 634 L N -0.148 121.121 121.223 0.075 0.000 2.307 634 L HA 0.074 4.334 4.340 -0.133 0.000 0.211 634 L C 1.459 178.550 176.870 0.368 0.000 1.099 634 L CA 0.822 55.767 54.840 0.174 0.000 0.816 634 L CB -0.286 41.852 42.059 0.131 0.000 0.952 634 L HN 0.119 nan 8.230 nan 0.000 0.455 635 F N -0.708 119.270 119.950 0.047 0.000 2.811 635 F HA 0.103 4.550 4.527 -0.133 0.000 0.301 635 F C 1.167 176.996 175.800 0.049 0.000 1.151 635 F CA 0.066 58.093 58.000 0.046 0.000 1.412 635 F CB -1.114 37.909 39.000 0.038 0.000 1.113 635 F HN 0.233 nan 8.300 nan 0.000 0.579 636 N N -0.234 118.601 118.700 0.226 0.000 2.328 636 N HA 0.150 4.810 4.740 -0.133 0.000 0.247 636 N C -0.721 174.867 175.510 0.130 0.000 1.165 636 N CA -0.007 53.129 53.050 0.143 0.000 0.873 636 N CB 0.699 39.248 38.487 0.104 0.000 1.125 636 N HN -0.106 nan 8.380 nan 0.000 0.513 637 L N 1.152 122.466 121.223 0.152 0.000 2.370 637 L HA 0.469 4.729 4.340 -0.133 0.000 0.266 637 L C -0.686 176.257 176.870 0.122 0.000 1.002 637 L CA -0.871 54.061 54.840 0.153 0.000 0.818 637 L CB 1.838 44.003 42.059 0.175 0.000 1.325 637 L HN 0.152 nan 8.230 nan 0.000 0.418 638 Q N 1.326 121.193 119.800 0.113 0.000 2.456 638 Q HA 0.652 4.912 4.340 -0.133 0.000 0.284 638 Q C -1.395 174.661 176.000 0.092 0.000 1.061 638 Q CA -1.110 54.749 55.803 0.093 0.000 0.799 638 Q CB 2.187 30.974 28.738 0.081 0.000 1.445 638 Q HN 0.244 nan 8.270 nan 0.000 0.411 639 L N 1.140 122.423 121.223 0.099 0.000 2.426 639 L HA 0.404 4.664 4.340 -0.133 0.000 0.271 639 L C 0.868 177.792 176.870 0.090 0.000 1.169 639 L CA 1.194 56.100 54.840 0.109 0.000 0.836 639 L CB 1.027 43.197 42.059 0.185 0.000 1.112 639 L HN 1.013 nan 8.230 nan 0.000 0.465 640 G N 1.677 110.480 108.800 0.004 0.000 3.863 640 G HA2 0.004 3.884 3.960 -0.133 0.000 0.290 640 G HA3 0.004 3.884 3.960 -0.133 0.000 0.290 640 G C 0.639 175.485 174.900 -0.089 0.000 1.018 640 G CA -0.019 45.064 45.100 -0.028 0.000 0.824 640 G HN 0.667 nan 8.290 nan 0.000 0.507 641 Y N 1.089 121.387 120.300 -0.004 0.000 2.224 641 Y HA 0.186 4.655 4.550 -0.136 0.000 0.289 641 Y C 1.870 177.736 175.900 -0.055 0.000 1.146 641 Y CA 1.160 59.241 58.100 -0.032 0.000 1.182 641 Y CB 0.224 38.688 38.460 0.007 0.000 0.983 641 Y HN 0.263 nan 8.280 nan 0.000 0.524 642 A N 0.289 123.188 122.820 0.131 0.000 2.330 642 A HA 0.632 4.872 4.320 -0.133 0.000 0.313 642 A C -1.009 176.593 177.584 0.030 0.000 1.124 642 A CA -0.571 51.496 52.037 0.049 0.000 0.774 642 A CB 0.619 19.663 19.000 0.074 0.000 1.198 642 A HN 0.181 nan 8.150 nan 0.000 0.465 643 L N 1.925 123.139 121.223 -0.016 0.000 2.334 643 L HA 0.559 4.819 4.340 -0.133 0.000 0.273 643 L C 1.052 177.940 176.870 0.030 0.000 1.013 643 L CA -0.733 54.118 54.840 0.018 0.000 0.816 643 L CB 2.327 44.396 42.059 0.018 0.000 1.278 643 L HN 0.926 nan 8.230 nan 0.000 0.431 644 T N -1.278 113.313 114.554 0.062 0.000 2.828 644 T HA 0.194 4.464 4.350 -0.133 0.000 0.290 644 T C 1.175 175.935 174.700 0.099 0.000 1.019 644 T CA -0.792 61.349 62.100 0.069 0.000 1.031 644 T CB 1.411 70.329 68.868 0.083 0.000 1.001 644 T HN 0.256 nan 8.240 nan 0.000 0.531 645 V N 1.302 121.274 119.914 0.096 0.000 2.427 645 V HA -0.150 3.890 4.120 -0.133 0.000 0.248 645 V C 2.711 178.852 176.094 0.078 0.000 1.051 645 V CA 1.681 64.034 62.300 0.088 0.000 1.048 645 V CB -1.170 30.683 31.823 0.049 0.000 0.666 645 V HN 0.916 nan 8.190 nan 0.000 0.456 646 H N -0.012 119.088 119.070 0.050 0.000 2.353 646 H HA -0.116 4.361 4.556 -0.132 0.000 0.300 646 H C 2.568 177.930 175.328 0.058 0.000 1.090 646 H CA 1.891 57.967 56.048 0.047 0.000 1.327 646 H CB 0.144 29.925 29.762 0.031 0.000 1.383 646 H HN 0.264 nan 8.280 nan 0.000 0.508 647 R N 0.340 120.953 120.500 0.187 0.000 2.235 647 R HA 0.023 4.283 4.340 -0.133 0.000 0.213 647 R C 2.141 178.533 176.300 0.153 0.000 1.059 647 R CA 0.722 56.906 56.100 0.141 0.000 0.997 647 R CB 0.161 30.534 30.300 0.122 0.000 0.884 647 R HN 0.198 nan 8.270 nan 0.000 0.462 648 A N -0.001 122.928 122.820 0.181 0.000 2.178 648 A HA 0.030 4.270 4.320 -0.133 0.000 0.211 648 A C 0.409 178.096 177.584 0.172 0.000 1.157 648 A CA -0.017 52.190 52.037 0.283 0.000 0.780 648 A CB 0.029 19.247 19.000 0.363 0.000 0.828 648 A HN 0.305 nan 8.150 nan 0.000 0.476 649 Q N -1.013 118.838 119.800 0.085 0.000 2.304 649 Q HA 0.298 4.558 4.340 -0.133 0.000 0.301 649 Q C 1.209 177.202 176.000 -0.011 0.000 1.063 649 Q CA 0.876 56.692 55.803 0.021 0.000 0.947 649 Q CB 0.126 28.862 28.738 -0.004 0.000 1.201 649 Q HN 0.793 nan 8.270 nan 0.000 0.389 650 G N 1.843 110.616 108.800 -0.044 0.000 2.179 650 G HA2 -0.272 3.608 3.960 -0.133 0.000 0.260 650 G HA3 -0.272 3.608 3.960 -0.133 0.000 0.260 650 G C 0.027 174.835 174.900 -0.153 0.000 0.977 650 G CA 0.209 45.260 45.100 -0.082 0.000 0.641 650 G HN 0.531 nan 8.290 nan 0.000 0.533 651 S N 0.172 115.746 115.700 -0.209 0.000 2.593 651 S HA 0.715 5.105 4.470 -0.133 0.000 0.297 651 S C -0.327 173.874 174.600 -0.664 0.000 1.112 651 S CA -0.644 57.253 58.200 -0.505 0.000 1.043 651 S CB 2.158 64.980 63.200 -0.630 0.000 1.054 651 S HN 0.436 nan 8.310 nan 0.000 0.516 652 E N 0.791 120.461 120.200 -0.884 0.000 2.314 652 E HA 0.399 4.669 4.350 -0.133 0.000 0.272 652 E C -1.385 174.794 176.600 -0.703 0.000 0.884 652 E CA -0.672 55.401 56.400 -0.545 0.000 0.753 652 E CB 1.792 31.331 29.700 -0.268 0.000 1.213 652 E HN 0.516 nan 8.360 nan 0.000 0.432 653 W N 0.122 121.426 121.300 0.008 0.000 3.029 653 W HA 0.322 4.895 4.660 -0.146 0.000 0.339 653 W C 0.915 177.441 176.519 0.012 0.000 1.198 653 W CA -0.876 56.474 57.345 0.008 0.000 1.148 653 W CB 1.477 30.945 29.460 0.013 0.000 1.451 653 W HN 0.818 nan 8.180 nan 0.000 0.564 654 G N 0.545 109.493 108.800 0.247 0.000 2.453 654 G HA2 -0.099 3.781 3.960 -0.133 0.000 0.215 654 G HA3 -0.099 3.781 3.960 -0.133 0.000 0.215 654 G C 0.497 175.488 174.900 0.152 0.000 1.201 654 G CA 1.722 46.910 45.100 0.147 0.000 0.784 654 G HN 0.337 nan 8.290 nan 0.000 0.545 655 T N -2.013 112.640 114.554 0.164 0.000 2.893 655 T HA 0.615 4.886 4.350 -0.133 0.000 0.291 655 T C -1.344 173.411 174.700 0.092 0.000 1.028 655 T CA -0.732 61.452 62.100 0.139 0.000 0.995 655 T CB 2.322 71.306 68.868 0.193 0.000 1.051 655 T HN 0.148 nan 8.240 nan 0.000 0.470 656 V N 3.982 123.913 119.914 0.030 0.000 2.789 656 V HA 0.646 4.686 4.120 -0.133 0.000 0.311 656 V C -1.082 174.839 176.094 -0.288 0.000 1.073 656 V CA -0.964 61.262 62.300 -0.122 0.000 0.921 656 V CB 1.841 33.661 31.823 -0.005 0.000 1.009 656 V HN 0.928 nan 8.190 nan 0.000 0.426 657 L N 4.346 125.410 121.223 -0.265 0.000 2.295 657 L HA 0.844 5.104 4.340 -0.133 0.000 0.281 657 L C 0.319 177.030 176.870 -0.265 0.000 1.018 657 L CA -0.065 54.627 54.840 -0.246 0.000 0.841 657 L CB 0.833 42.824 42.059 -0.114 0.000 1.218 657 L HN 0.709 nan 8.230 nan 0.000 0.424 658 G N 4.991 113.567 108.800 -0.373 0.000 2.347 658 G HA2 0.537 4.417 3.960 -0.133 0.000 0.314 658 G HA3 0.537 4.417 3.960 -0.133 0.000 0.314 658 G C -0.906 174.101 174.900 0.179 0.000 1.126 658 G CA -0.409 44.696 45.100 0.008 0.000 0.929 658 G HN 0.448 nan 8.290 nan 0.000 0.441 659 V N 3.094 123.087 119.914 0.132 0.000 2.546 659 V HA 0.558 4.598 4.120 -0.133 0.000 0.284 659 V C -0.048 176.175 176.094 0.215 0.000 1.050 659 V CA -0.459 61.945 62.300 0.174 0.000 0.981 659 V CB 1.236 33.146 31.823 0.145 0.000 0.990 659 V HN 0.594 nan 8.190 nan 0.000 0.474 660 L N 4.560 125.962 121.223 0.298 0.000 2.588 660 L HA 0.630 4.890 4.340 -0.133 0.000 0.263 660 L C -0.918 176.120 176.870 0.280 0.000 0.935 660 L CA 0.019 55.015 54.840 0.260 0.000 0.891 660 L CB 1.867 43.836 42.059 -0.150 0.000 1.318 660 L HN 0.844 nan 8.230 nan 0.000 0.409 661 H N 2.615 121.749 119.070 0.107 0.000 3.037 661 H HA 0.272 4.747 4.556 -0.135 0.000 0.336 661 H C -0.230 175.026 175.328 -0.120 0.000 1.323 661 H CA -0.442 55.568 56.048 -0.063 0.000 1.159 661 H CB 2.066 31.736 29.762 -0.154 0.000 1.882 661 H HN 0.708 nan 8.280 nan 0.000 0.535 662 E N 1.591 121.520 120.200 -0.452 0.000 2.301 662 E HA -0.161 4.109 4.350 -0.133 0.000 0.202 662 E C 1.685 178.289 176.600 0.007 0.000 1.017 662 E CA 1.160 57.452 56.400 -0.181 0.000 0.831 662 E CB -0.398 29.161 29.700 -0.234 0.000 0.742 662 E HN 0.522 nan 8.360 nan 0.000 0.491 663 A N 1.454 124.343 122.820 0.115 0.000 2.067 663 A HA -0.137 4.103 4.320 -0.133 0.000 0.219 663 A C 1.263 178.757 177.584 -0.150 0.000 1.158 663 A CA 0.870 52.857 52.037 -0.083 0.000 0.661 663 A CB -0.460 18.397 19.000 -0.238 0.000 0.801 663 A HN 0.208 nan 8.150 nan 0.000 0.452 664 H N -1.603 117.518 119.070 0.086 0.000 2.524 664 H HA 0.201 4.676 4.556 -0.135 0.000 0.299 664 H C 1.331 176.671 175.328 0.020 0.000 1.074 664 H CA 0.351 56.425 56.048 0.043 0.000 1.115 664 H CB -0.167 29.613 29.762 0.029 0.000 1.522 664 H HN 0.491 nan 8.280 nan 0.000 0.543 665 M N 2.611 122.260 119.600 0.082 0.000 2.113 665 M HA -0.132 4.268 4.480 -0.133 0.000 0.255 665 M C -0.843 175.485 176.300 0.047 0.000 1.073 665 M CA 1.999 57.326 55.300 0.046 0.000 1.091 665 M CB -0.906 31.709 32.600 0.025 0.000 1.309 665 M HN 0.091 nan 8.290 nan 0.000 0.407 666 P HA -0.138 nan 4.420 nan 0.000 0.220 666 P C 1.265 178.588 177.300 0.038 0.000 1.148 666 P CA 1.384 64.506 63.100 0.038 0.000 0.803 666 P CB -0.400 31.322 31.700 0.037 0.000 0.782 667 M N -1.312 118.320 119.600 0.054 0.000 2.495 667 M HA 0.124 4.524 4.480 -0.133 0.000 0.237 667 M C 0.822 177.139 176.300 0.028 0.000 1.131 667 M CA -0.023 55.306 55.300 0.048 0.000 1.032 667 M CB -0.585 32.046 32.600 0.052 0.000 1.513 667 M HN -0.066 nan 8.290 nan 0.000 0.488 668 L N 2.244 123.480 121.223 0.022 0.000 2.448 668 L HA 0.081 4.341 4.340 -0.133 0.000 0.278 668 L C 0.555 177.420 176.870 -0.007 0.000 1.201 668 L CA -0.273 54.559 54.840 -0.013 0.000 1.036 668 L CB -0.815 41.236 42.059 -0.013 0.000 1.325 668 L HN 0.200 nan 8.230 nan 0.000 0.441 669 S N 1.641 117.336 115.700 -0.009 0.000 2.599 669 S HA 0.431 4.821 4.470 -0.133 0.000 0.294 669 S C 0.714 175.321 174.600 0.010 0.000 1.094 669 S CA -0.986 57.218 58.200 0.006 0.000 0.931 669 S CB 2.480 65.689 63.200 0.016 0.000 1.093 669 S HN 0.563 nan 8.310 nan 0.000 0.488 670 R N 1.024 121.538 120.500 0.024 0.000 2.096 670 R HA -0.073 4.187 4.340 -0.133 0.000 0.235 670 R C 1.666 178.009 176.300 0.072 0.000 1.127 670 R CA 1.770 57.899 56.100 0.047 0.000 0.968 670 R CB -0.508 29.808 30.300 0.027 0.000 0.861 670 R HN 0.789 nan 8.270 nan 0.000 0.440 671 N N 0.668 119.395 118.700 0.046 0.000 2.142 671 N HA -0.173 4.487 4.740 -0.133 0.000 0.186 671 N C 1.796 177.360 175.510 0.090 0.000 1.023 671 N CA 0.827 53.920 53.050 0.071 0.000 0.852 671 N CB -0.107 38.396 38.487 0.026 0.000 0.998 671 N HN 0.206 nan 8.380 nan 0.000 0.424 672 L N 2.321 123.564 121.223 0.033 0.000 1.989 672 L HA -0.133 4.127 4.340 -0.133 0.000 0.211 672 L C 2.415 179.288 176.870 0.006 0.000 1.071 672 L CA 1.798 56.636 54.840 -0.004 0.000 0.749 672 L CB -0.901 41.154 42.059 -0.008 0.000 0.890 672 L HN 0.023 nan 8.230 nan 0.000 0.431 673 V N -2.919 116.994 119.914 -0.001 0.000 2.515 673 V HA -0.280 3.760 4.120 -0.133 0.000 0.250 673 V C 2.434 178.609 176.094 0.135 0.000 1.058 673 V CA 1.438 63.729 62.300 -0.015 0.000 1.064 673 V CB -1.640 30.108 31.823 -0.124 0.000 0.675 673 V HN 0.460 nan 8.190 nan 0.000 0.461 674 Y N 2.345 122.663 120.300 0.030 0.000 2.163 674 Y HA -0.151 4.323 4.550 -0.126 0.000 0.288 674 Y C 2.675 178.583 175.900 0.013 0.000 1.136 674 Y CA 2.395 60.510 58.100 0.025 0.000 1.147 674 Y CB -0.670 37.804 38.460 0.024 0.000 0.987 674 Y HN 0.237 nan 8.280 nan 0.000 0.509 675 T N 0.737 115.312 114.554 0.034 0.000 2.674 675 T HA -0.220 4.050 4.350 -0.133 0.000 0.265 675 T C 2.140 176.830 174.700 -0.017 0.000 1.039 675 T CA 1.643 63.718 62.100 -0.041 0.000 1.150 675 T CB -0.941 67.921 68.868 -0.010 0.000 0.864 675 T HN 0.492 nan 8.240 nan 0.000 0.427 676 A N 1.303 124.156 122.820 0.055 0.000 1.903 676 A HA -0.131 4.109 4.320 -0.133 0.000 0.219 676 A C 2.239 179.951 177.584 0.214 0.000 1.191 676 A CA 1.586 53.736 52.037 0.189 0.000 0.638 676 A CB -0.990 18.157 19.000 0.245 0.000 0.823 676 A HN 0.371 nan 8.150 nan 0.000 0.451 677 L N 0.244 121.439 121.223 -0.047 0.000 2.093 677 L HA -0.094 4.166 4.340 -0.133 0.000 0.208 677 L C 2.713 179.482 176.870 -0.169 0.000 1.085 677 L CA 2.553 57.194 54.840 -0.332 0.000 0.755 677 L CB -0.870 40.959 42.059 -0.383 0.000 0.904 677 L HN 0.638 nan 8.230 nan 0.000 0.435 678 T N -4.199 110.225 114.554 -0.216 0.000 3.148 678 T HA -0.020 4.250 4.350 -0.133 0.000 0.253 678 T C 1.700 176.372 174.700 -0.047 0.000 1.134 678 T CA -0.022 61.955 62.100 -0.206 0.000 1.051 678 T CB -0.264 68.375 68.868 -0.382 0.000 0.959 678 T HN 0.128 nan 8.240 nan 0.000 0.525 679 R N 1.533 122.085 120.500 0.087 0.000 2.276 679 R HA 0.393 4.653 4.340 -0.133 0.000 0.203 679 R C 0.944 177.409 176.300 0.275 0.000 1.017 679 R CA 0.293 56.525 56.100 0.220 0.000 1.010 679 R CB -0.706 29.846 30.300 0.420 0.000 0.900 679 R HN 0.565 nan 8.270 nan 0.000 0.469 680 A N 1.030 123.988 122.820 0.229 0.000 2.276 680 A HA 0.466 4.706 4.320 -0.133 0.000 0.316 680 A C 0.734 178.374 177.584 0.093 0.000 1.229 680 A CA -0.599 51.574 52.037 0.227 0.000 0.851 680 A CB 1.148 20.357 19.000 0.348 0.000 1.165 680 A HN 0.077 nan 8.150 nan 0.000 0.513 681 R N 0.887 121.434 120.500 0.078 0.000 2.087 681 R HA 0.033 4.293 4.340 -0.133 0.000 0.216 681 R C 0.211 176.518 176.300 0.013 0.000 1.114 681 R CA 1.151 57.263 56.100 0.020 0.000 1.002 681 R CB 0.189 30.497 30.300 0.012 0.000 0.903 681 R HN 0.752 nan 8.270 nan 0.000 0.445 682 D N -0.112 120.309 120.400 0.035 0.000 2.725 682 D HA 0.113 4.673 4.640 -0.133 0.000 0.269 682 D C 0.354 176.651 176.300 -0.006 0.000 1.018 682 D CA 0.680 54.691 54.000 0.018 0.000 0.956 682 D CB 0.617 41.440 40.800 0.038 0.000 1.141 682 D HN -0.006 nan 8.370 nan 0.000 0.478 683 R N -0.415 120.084 120.500 -0.003 0.000 2.651 683 R HA 0.493 4.753 4.340 -0.133 0.000 0.278 683 R C -1.570 174.663 176.300 -0.112 0.000 1.010 683 R CA -0.692 55.327 56.100 -0.136 0.000 0.896 683 R CB 2.296 32.473 30.300 -0.205 0.000 1.211 683 R HN -0.084 nan 8.270 nan 0.000 0.456 684 F N 2.919 122.640 119.950 -0.382 0.000 2.499 684 F HA 0.512 4.925 4.527 -0.189 0.000 0.333 684 F C -1.553 174.039 175.800 -0.347 0.000 1.138 684 F CA -0.912 56.963 58.000 -0.208 0.000 0.945 684 F CB 0.957 39.929 39.000 -0.046 0.000 1.181 684 F HN 0.379 nan 8.300 nan 0.000 0.435 685 F N 3.670 123.491 119.950 -0.215 0.000 2.458 685 F HA 0.516 5.078 4.527 0.058 0.000 0.336 685 F C 0.383 176.031 175.800 -0.255 0.000 1.114 685 F CA -0.765 57.166 58.000 -0.114 0.000 0.987 685 F CB 1.938 40.867 39.000 -0.118 0.000 1.130 685 F HN 0.354 nan 8.300 nan 0.000 0.458 686 S N 1.824 117.541 115.700 0.029 0.000 2.593 686 S HA 0.891 5.281 4.470 -0.133 0.000 0.297 686 S C -0.814 173.767 174.600 -0.031 0.000 1.112 686 S CA -0.491 57.728 58.200 0.033 0.000 1.043 686 S CB 1.208 64.413 63.200 0.008 0.000 1.054 686 S HN 0.779 nan 8.310 nan 0.000 0.516 687 A N 1.989 124.843 122.820 0.058 0.000 2.359 687 A HA 0.863 5.103 4.320 -0.133 0.000 0.303 687 A C 0.472 178.124 177.584 0.112 0.000 1.066 687 A CA 0.097 52.156 52.037 0.036 0.000 0.730 687 A CB 0.804 19.813 19.000 0.015 0.000 1.211 687 A HN 1.567 nan 8.150 nan 0.000 0.439 688 G N 0.704 109.565 108.800 0.102 0.000 2.152 688 G HA2 0.462 4.342 3.960 -0.133 0.000 0.058 688 G HA3 0.462 4.342 3.960 -0.133 0.000 0.058 688 G C -0.062 174.969 174.900 0.218 0.000 0.966 688 G CA 0.500 45.718 45.100 0.197 0.000 1.149 688 G HN 2.177 nan 8.290 nan 0.000 0.402 689 S N 0.074 115.907 115.700 0.221 0.000 2.526 689 S HA 0.766 5.156 4.470 -0.133 0.000 0.293 689 S C 1.113 175.827 174.600 0.189 0.000 1.092 689 S CA 0.646 58.921 58.200 0.125 0.000 0.980 689 S CB 1.904 65.084 63.200 -0.033 0.000 1.048 689 S HN 2.119 nan 8.310 nan 0.000 0.483 690 A N 2.607 125.510 122.820 0.137 0.000 1.933 690 A HA -0.043 4.197 4.320 -0.133 0.000 0.218 690 A C 2.298 180.081 177.584 0.332 0.000 1.175 690 A CA 2.058 54.239 52.037 0.239 0.000 0.628 690 A CB -1.409 17.690 19.000 0.165 0.000 0.814 690 A HN 1.482 nan 8.150 nan 0.000 0.444 691 S N -0.109 115.699 115.700 0.180 0.000 2.428 691 S HA 0.154 4.544 4.470 -0.133 0.000 0.230 691 S C 2.060 176.730 174.600 0.117 0.000 1.014 691 S CA 1.072 59.351 58.200 0.131 0.000 0.957 691 S CB -0.582 62.647 63.200 0.048 0.000 0.784 691 S HN 0.870 nan 8.310 nan 0.000 0.499 692 A N 1.186 124.054 122.820 0.080 0.000 1.917 692 A HA -0.075 4.165 4.320 -0.133 0.000 0.219 692 A C 1.861 179.472 177.584 0.046 0.000 1.182 692 A CA 1.512 53.554 52.037 0.009 0.000 0.633 692 A CB -1.396 17.575 19.000 -0.048 0.000 0.819 692 A HN 0.749 nan 8.150 nan 0.000 0.448 693 W N -0.025 121.364 121.300 0.147 0.000 2.363 693 W HA -0.131 4.468 4.660 -0.100 0.000 0.296 693 W C 2.686 179.282 176.519 0.129 0.000 1.212 693 W CA 1.503 58.962 57.345 0.189 0.000 1.260 693 W CB -0.381 29.281 29.460 0.337 0.000 1.131 693 W HN 0.450 nan 8.180 nan 0.000 0.530 694 Q N -0.097 119.901 119.800 0.330 0.000 2.124 694 Q HA -0.173 4.087 4.340 -0.133 0.000 0.202 694 Q C 2.058 178.133 176.000 0.125 0.000 0.977 694 Q CA 1.625 57.547 55.803 0.199 0.000 0.850 694 Q CB -0.543 28.290 28.738 0.159 0.000 0.901 694 Q HN 0.378 nan 8.270 nan 0.000 0.429 695 I N 0.573 121.199 120.570 0.093 0.000 2.394 695 I HA -0.239 3.851 4.170 -0.133 0.000 0.251 695 I C 2.363 178.504 176.117 0.039 0.000 1.136 695 I CA 0.804 62.133 61.300 0.048 0.000 1.425 695 I CB -0.320 37.691 38.000 0.019 0.000 1.079 695 I HN 0.155 nan 8.210 nan 0.000 0.425 696 A N 0.775 123.616 122.820 0.036 0.000 1.872 696 A HA -0.073 4.167 4.320 -0.133 0.000 0.214 696 A C 2.552 180.169 177.584 0.056 0.000 1.187 696 A CA 1.584 53.628 52.037 0.012 0.000 0.614 696 A CB -0.807 18.150 19.000 -0.072 0.000 0.826 696 A HN 0.387 nan 8.150 nan 0.000 0.442 697 A N -0.253 122.632 122.820 0.107 0.000 1.972 697 A HA 0.198 4.438 4.320 -0.133 0.000 0.219 697 A C 2.338 179.966 177.584 0.073 0.000 1.169 697 A CA 1.899 54.002 52.037 0.110 0.000 0.635 697 A CB -0.768 18.317 19.000 0.143 0.000 0.810 697 A HN 1.055 nan 8.150 nan 0.000 0.446 698 A N -1.448 121.410 122.820 0.063 0.000 2.167 698 A HA 0.119 4.359 4.320 -0.133 0.000 0.214 698 A C 1.504 179.106 177.584 0.030 0.000 1.151 698 A CA 0.268 52.332 52.037 0.044 0.000 0.735 698 A CB -0.112 18.914 19.000 0.043 0.000 0.802 698 A HN 0.340 nan 8.150 nan 0.000 0.467 699 R N 1.363 121.880 120.500 0.028 0.000 2.287 699 R HA 0.240 4.500 4.340 -0.133 0.000 0.316 699 R C -0.923 175.385 176.300 0.012 0.000 1.050 699 R CA -0.256 55.855 56.100 0.017 0.000 0.983 699 R CB 0.226 30.535 30.300 0.016 0.000 1.140 699 R HN 0.516 nan 8.270 nan 0.000 0.528 700 Q N 3.472 123.275 119.800 0.006 0.000 2.289 700 Q HA 0.003 4.263 4.340 -0.133 0.000 0.273 700 Q C 0.031 176.030 176.000 -0.002 0.000 1.029 700 Q CA -0.024 55.778 55.803 -0.003 0.000 0.896 700 Q CB 0.732 29.464 28.738 -0.010 0.000 1.182 700 Q HN 0.441 nan 8.270 nan 0.000 0.385 701 R N 1.586 122.084 120.500 -0.003 0.000 2.861 701 R HA 0.039 4.299 4.340 -0.133 0.000 0.268 701 R C -0.182 176.113 176.300 -0.008 0.000 1.027 701 R CA -0.026 56.072 56.100 -0.003 0.000 1.163 701 R CB 0.191 30.490 30.300 -0.000 0.000 1.060 701 R HN 0.334 nan 8.270 nan 0.000 0.483 702 E N 0.198 120.392 120.200 -0.011 0.000 2.404 702 E HA 0.206 4.476 4.350 -0.133 0.000 0.261 702 E C -0.228 176.369 176.600 -0.006 0.000 1.074 702 E CA 0.064 56.459 56.400 -0.007 0.000 0.917 702 E CB 0.525 30.219 29.700 -0.010 0.000 0.965 702 E HN 0.711 nan 8.360 nan 0.000 0.433 703 A N 3.833 126.661 122.820 0.013 0.000 2.396 703 A HA 0.176 4.416 4.320 -0.133 0.000 0.279 703 A C 0.321 177.938 177.584 0.056 0.000 1.165 703 A CA -0.256 51.791 52.037 0.017 0.000 0.824 703 A CB 0.006 19.012 19.000 0.010 0.000 1.100 703 A HN 0.396 nan 8.150 nan 0.000 0.516 704 R N 2.618 123.130 120.500 0.020 0.000 2.543 704 R HA 0.101 4.361 4.340 -0.133 0.000 0.277 704 R C -0.638 175.681 176.300 0.031 0.000 1.074 704 R CA -0.458 55.668 56.100 0.042 0.000 1.076 704 R CB 0.399 30.678 30.300 -0.035 0.000 0.993 704 R HN 0.675 nan 8.270 nan 0.000 0.459 705 N N 1.550 120.262 118.700 0.021 0.000 2.401 705 N HA 0.058 4.718 4.740 -0.133 0.000 0.255 705 N C -0.555 174.757 175.510 -0.330 0.000 1.110 705 N CA 0.381 53.116 53.050 -0.524 0.000 0.949 705 N CB 1.450 39.071 38.487 -1.443 0.000 1.110 705 N HN 0.472 nan 8.380 nan 0.000 0.490 706 T N -0.545 114.025 114.554 0.027 0.000 2.993 706 T HA 0.596 4.866 4.350 -0.133 0.000 0.312 706 T C -0.276 174.633 174.700 0.349 0.000 1.115 706 T CA -0.648 61.590 62.100 0.230 0.000 1.027 706 T CB 0.970 69.909 68.868 0.118 0.000 1.116 706 T HN 0.333 nan 8.240 nan 0.000 0.464 707 A N 4.097 127.143 122.820 0.377 0.000 2.430 707 A HA 0.366 4.606 4.320 -0.133 0.000 0.243 707 A C 1.667 179.336 177.584 0.141 0.000 1.254 707 A CA -0.112 52.064 52.037 0.232 0.000 0.914 707 A CB -0.353 18.743 19.000 0.160 0.000 0.998 707 A HN 0.757 nan 8.150 nan 0.000 0.515 708 L N -0.088 121.216 121.223 0.135 0.000 1.971 708 L HA -0.172 4.088 4.340 -0.133 0.000 0.215 708 L C 2.166 179.065 176.870 0.048 0.000 1.072 708 L CA 2.125 57.016 54.840 0.085 0.000 0.758 708 L CB -0.499 41.605 42.059 0.074 0.000 0.889 708 L HN 0.473 nan 8.230 nan 0.000 0.433 709 L N -0.880 120.365 121.223 0.037 0.000 2.013 709 L HA -0.308 3.952 4.340 -0.133 0.000 0.212 709 L C 2.542 179.397 176.870 -0.026 0.000 1.073 709 L CA 1.872 56.709 54.840 -0.005 0.000 0.753 709 L CB -0.311 41.747 42.059 -0.003 0.000 0.890 709 L HN 0.380 nan 8.230 nan 0.000 0.432 710 E N -0.214 120.000 120.200 0.024 0.000 2.085 710 E HA -0.219 4.051 4.350 -0.133 0.000 0.194 710 E C 2.203 178.814 176.600 0.018 0.000 0.994 710 E CA 1.298 57.725 56.400 0.045 0.000 0.801 710 E CB -0.139 29.616 29.700 0.092 0.000 0.743 710 E HN 0.386 nan 8.360 nan 0.000 0.453 711 R N 0.018 120.528 120.500 0.016 0.000 2.081 711 R HA -0.075 4.185 4.340 -0.133 0.000 0.235 711 R C 2.408 178.718 176.300 0.017 0.000 1.131 711 R CA 1.289 57.385 56.100 -0.006 0.000 0.960 711 R CB -0.448 29.875 30.300 0.038 0.000 0.856 711 R HN 0.217 nan 8.270 nan 0.000 0.436 712 I N 0.419 121.004 120.570 0.025 0.000 2.099 712 I HA -0.307 3.783 4.170 -0.133 0.000 0.239 712 I C 2.389 178.461 176.117 -0.076 0.000 1.066 712 I CA 1.506 62.814 61.300 0.013 0.000 1.324 712 I CB -0.278 37.701 38.000 -0.035 0.000 1.037 712 I HN 0.116 nan 8.210 nan 0.000 0.401 713 R N 0.567 120.935 120.500 -0.220 0.000 2.193 713 R HA -0.112 4.148 4.340 -0.133 0.000 0.229 713 R C 2.355 178.481 176.300 -0.291 0.000 1.110 713 R CA 1.159 56.962 56.100 -0.495 0.000 0.988 713 R CB -0.355 29.282 30.300 -1.104 0.000 0.871 713 R HN 0.416 nan 8.270 nan 0.000 0.458 714 A N 0.502 123.282 122.820 -0.067 0.000 1.873 714 A HA -0.165 4.075 4.320 -0.133 0.000 0.215 714 A C 1.694 179.233 177.584 -0.075 0.000 1.186 714 A CA 1.175 53.241 52.037 0.049 0.000 0.616 714 A CB -0.537 18.428 19.000 -0.058 0.000 0.823 714 A HN 0.271 nan 8.150 nan 0.000 0.442 715 H N -0.504 118.470 119.070 -0.158 0.000 2.421 715 H HA -0.086 4.390 4.556 -0.133 0.000 0.298 715 H C 1.764 176.834 175.328 -0.431 0.000 1.087 715 H CA 2.047 57.852 56.048 -0.406 0.000 1.330 715 H CB 0.123 29.727 29.762 -0.262 0.000 1.388 715 H HN 0.550 nan 8.280 nan 0.000 0.526 716 L N -1.204 119.987 121.223 -0.054 0.000 2.547 716 L HA 0.254 4.514 4.340 -0.133 0.000 0.218 716 L C 2.140 178.989 176.870 -0.034 0.000 1.048 716 L CA 0.602 55.444 54.840 0.002 0.000 0.859 716 L CB -0.740 41.329 42.059 0.016 0.000 1.128 716 L HN -0.135 nan 8.230 nan 0.000 0.483 717 E N 1.071 121.258 120.200 -0.023 0.000 2.006 717 E HA -0.188 4.082 4.350 -0.133 0.000 0.192 717 E C 0.591 177.192 176.600 0.001 0.000 0.993 717 E CA 1.503 57.906 56.400 0.004 0.000 0.808 717 E CB -0.318 29.440 29.700 0.095 0.000 0.764 717 E HN 0.645 nan 8.360 nan 0.000 0.449 718 H N 0.780 119.936 119.070 0.143 0.000 2.726 718 H HA 0.298 4.774 4.556 -0.133 0.000 0.244 718 H C -0.476 174.961 175.328 0.181 0.000 1.669 718 H CA -0.071 56.044 56.048 0.112 0.000 1.293 718 H CB -0.265 29.572 29.762 0.125 0.000 1.640 718 H HN 0.186 nan 8.280 nan 0.000 0.553 719 H N 0.418 119.430 119.070 -0.097 0.000 3.161 719 H HA 0.204 4.681 4.556 -0.133 0.000 0.285 719 H C -0.319 174.978 175.328 -0.051 0.000 1.588 719 H CA -0.898 55.148 56.048 -0.003 0.000 1.218 719 H CB 1.577 31.406 29.762 0.112 0.000 1.841 719 H HN 0.579 nan 8.280 nan 0.000 0.623 720 H N 0.000 119.102 119.070 0.054 0.000 2.539 720 H HA 0.000 4.476 4.556 -0.133 0.000 0.296 720 H CA 0.000 56.053 56.048 0.009 0.000 1.023 720 H CB 0.000 29.776 29.762 0.023 0.000 1.292 720 H HN 0.000 nan 8.280 nan 0.000 0.496