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 3abt_1_A DATA FIRST_RESID 172 DATA SEQUENCE SGVEGAAFQS RLPHDRMTSQ EAACFPDIIS GPQQTQKVFL FIRNRTLQLW DATA SEQUENCE LDNPKIQLTF EATLQQLEAP YNSDTVLVHR VHSYLERHGL INFGIYKRIK DATA SEQUENCE PLPTKKTGKV IIIGSGVSGL AAARQLQSFG MDVTLLEARD RVGGRVATFR DATA SEQUENCE KGNYVADLGA MVVTGLGGNP MAVVSKQVNM ELAKIKQKCP LYEANGQAVP DATA SEQUENCE KEKDEMVEQE FNRLLEATSY LSHQLDFNVL NNKPVSLGQA LEVVIQLQEK DATA SEQUENCE HVKDEQIEHW KKIVKTQEEL KELLNKMVNL KEKIKELHQQ YKEXXXXXXX DATA SEQUENCE XDITAEFLVK SKHRDLTALC KEYDELAETQ GKLEEKLQEL EANPPSDVYL DATA SEQUENCE SSRDRQILDW HFANLEFANA TPLSTLSLKH WDQDDDFEFT GSHLTVRNGY DATA SEQUENCE SCVPVALAEG LDIKLNTAVR QVRYTASGCE VIAVNTRSTS QTFIYKCDAV DATA SEQUENCE LCTLPLGVLK QQPPAVQFVP PLPEWKTSAV QRMGFGNLNK VVLCFDRVFW DATA SEQUENCE DPSVNLFGHV GSTTASRGEL FLFWNLYKAP ILLALVAGEA AGIMENISDD DATA SEQUENCE VIVGRCLAIL KGIFGSSAVP QPKETVVSRW RADPWARGSY SYVAAGSSGN DATA SEQUENCE DYDLMAQPIT PXXXXXXXXX PIPRLFFAGE HTIRNYPATV HGALLSGLRE DATA SEQUENCE AGRIADQFLG 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 172 S HA 0.000 nan 4.470 nan 0.000 0.327 172 S C 0.000 174.574 174.600 -0.043 0.000 1.055 172 S CA 0.000 58.163 58.200 -0.061 0.000 1.107 172 S CB 0.000 63.129 63.200 -0.118 0.000 0.593 173 G N 2.229 111.024 108.800 -0.009 0.000 2.524 173 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.215 173 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.215 173 G C 1.455 176.347 174.900 -0.015 0.000 1.239 173 G CA 1.448 46.545 45.100 -0.005 0.000 0.798 173 G HN 1.372 nan 8.290 nan 0.000 0.557 174 V N -0.878 119.032 119.914 -0.007 0.000 2.913 174 V HA 0.048 4.168 4.120 -0.001 0.000 0.260 174 V C 2.169 178.253 176.094 -0.018 0.000 1.098 174 V CA 2.379 64.651 62.300 -0.048 0.000 1.121 174 V CB -0.323 31.440 31.823 -0.099 0.000 0.714 174 V HN 0.527 nan 8.190 nan 0.000 0.487 175 E N 1.330 121.512 120.200 -0.029 0.000 2.208 175 E HA -0.012 4.337 4.350 -0.001 0.000 0.193 175 E C 2.155 178.714 176.600 -0.069 0.000 0.988 175 E CA 1.036 57.362 56.400 -0.124 0.000 0.828 175 E CB -0.379 29.124 29.700 -0.328 0.000 0.763 175 E HN 0.668 nan 8.360 nan 0.000 0.478 176 G N 0.707 109.492 108.800 -0.025 0.000 2.394 176 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.215 176 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.215 176 G C 1.638 176.599 174.900 0.101 0.000 1.165 176 G CA 0.650 45.777 45.100 0.044 0.000 0.784 176 G HN 0.365 nan 8.290 nan 0.000 0.535 177 A N 1.401 124.248 122.820 0.046 0.000 1.908 177 A HA 0.181 4.500 4.320 -0.001 0.000 0.218 177 A C 2.823 180.445 177.584 0.064 0.000 1.181 177 A CA 2.420 54.482 52.037 0.041 0.000 0.627 177 A CB -0.891 18.110 19.000 0.001 0.000 0.818 177 A HN 0.802 nan 8.150 nan 0.000 0.445 178 A N -1.223 121.643 122.820 0.076 0.000 1.908 178 A HA -0.078 4.242 4.320 -0.001 0.000 0.218 178 A C 2.066 179.741 177.584 0.152 0.000 1.181 178 A CA 1.766 53.865 52.037 0.103 0.000 0.627 178 A CB -0.726 18.365 19.000 0.152 0.000 0.818 178 A HN 0.722 nan 8.150 nan 0.000 0.445 179 F N 0.537 120.510 119.950 0.038 0.000 2.084 179 F HA -0.157 4.370 4.527 -0.001 0.000 0.296 179 F C 2.313 178.143 175.800 0.050 0.000 1.111 179 F CA 2.196 60.228 58.000 0.053 0.000 1.224 179 F CB -0.566 38.449 39.000 0.024 0.000 0.991 179 F HN 0.304 nan 8.300 nan 0.000 0.471 180 Q N 0.339 120.120 119.800 -0.033 0.000 2.368 180 Q HA -0.115 4.225 4.340 -0.001 0.000 0.210 180 Q C 1.258 177.161 176.000 -0.161 0.000 0.982 180 Q CA 1.703 57.413 55.803 -0.155 0.000 0.884 180 Q CB -0.497 28.232 28.738 -0.015 0.000 0.933 180 Q HN 0.325 nan 8.270 nan 0.000 0.460 181 S N -0.049 115.601 115.700 -0.083 0.000 2.574 181 S HA 0.260 4.729 4.470 -0.001 0.000 0.242 181 S C -0.463 174.113 174.600 -0.040 0.000 0.982 181 S CA -0.191 57.980 58.200 -0.048 0.000 0.977 181 S CB 0.213 63.418 63.200 0.008 0.000 0.814 181 S HN 0.378 nan 8.310 nan 0.000 0.464 182 R N 0.672 121.124 120.500 -0.081 0.000 3.516 182 R HA -0.139 4.201 4.340 -0.001 0.000 0.271 182 R C -0.927 175.425 176.300 0.088 0.000 1.098 182 R CA 0.590 56.707 56.100 0.028 0.000 0.732 182 R CB -2.380 28.007 30.300 0.145 0.000 1.152 182 R HN 0.421 nan 8.270 nan 0.000 0.455 183 L N 0.194 121.467 121.223 0.083 0.000 2.388 183 L HA 0.618 4.958 4.340 -0.001 0.000 0.264 183 L C -2.091 174.878 176.870 0.164 0.000 0.998 183 L CA -2.347 52.559 54.840 0.111 0.000 0.817 183 L CB 2.492 44.596 42.059 0.075 0.000 1.338 183 L HN -0.172 nan 8.230 nan 0.000 0.414 184 P HA 0.104 nan 4.420 nan 0.000 0.286 184 P C 0.210 177.581 177.300 0.117 0.000 1.321 184 P CA -0.222 62.976 63.100 0.163 0.000 0.790 184 P CB 0.489 32.246 31.700 0.095 0.000 0.897 185 H N 3.702 122.816 119.070 0.073 0.000 2.460 185 H HA -0.165 4.390 4.556 -0.001 0.000 0.297 185 H C 0.059 175.412 175.328 0.042 0.000 1.103 185 H CA 1.883 57.958 56.048 0.044 0.000 1.292 185 H CB -0.869 28.924 29.762 0.050 0.000 1.376 185 H HN 0.330 nan 8.280 nan 0.000 0.531 186 D N -0.203 119.797 120.400 -0.667 0.000 2.491 186 D HA 0.153 4.793 4.640 -0.001 0.000 0.228 186 D C 0.326 176.527 176.300 -0.165 0.000 1.183 186 D CA -0.669 53.063 54.000 -0.447 0.000 0.827 186 D CB 0.104 40.565 40.800 -0.566 0.000 0.989 186 D HN 0.637 nan 8.370 nan 0.000 0.494 187 R N -1.471 118.980 120.500 -0.081 0.000 2.833 187 R HA 0.273 4.613 4.340 -0.001 0.000 0.259 187 R C -1.347 174.969 176.300 0.026 0.000 1.047 187 R CA -0.887 55.204 56.100 -0.015 0.000 0.916 187 R CB 0.299 30.588 30.300 -0.019 0.000 1.259 187 R HN -0.049 nan 8.270 nan 0.000 0.482 188 M N 2.303 121.932 119.600 0.049 0.000 2.240 188 M HA 0.212 4.691 4.480 -0.001 0.000 0.333 188 M C 0.676 176.999 176.300 0.038 0.000 1.110 188 M CA -0.011 55.329 55.300 0.066 0.000 1.173 188 M CB 1.238 33.856 32.600 0.029 0.000 1.458 188 M HN 0.836 nan 8.290 nan 0.000 0.458 189 T N -1.788 112.793 114.554 0.045 0.000 2.847 189 T HA 0.223 4.573 4.350 -0.001 0.000 0.279 189 T C 1.230 175.950 174.700 0.034 0.000 0.984 189 T CA -0.373 61.755 62.100 0.046 0.000 0.988 189 T CB 0.998 69.904 68.868 0.064 0.000 1.040 189 T HN 0.782 nan 8.240 nan 0.000 0.528 190 S N -0.281 115.439 115.700 0.035 0.000 2.400 190 S HA -0.257 4.213 4.470 -0.001 0.000 0.232 190 S C 2.001 176.623 174.600 0.036 0.000 1.025 190 S CA 1.339 59.555 58.200 0.027 0.000 0.993 190 S CB -0.810 62.404 63.200 0.024 0.000 0.808 190 S HN 0.827 nan 8.310 nan 0.000 0.478 191 Q N 1.144 120.975 119.800 0.051 0.000 2.020 191 Q HA -0.107 4.233 4.340 -0.001 0.000 0.198 191 Q C 2.143 178.218 176.000 0.125 0.000 0.974 191 Q CA 1.408 57.259 55.803 0.079 0.000 0.829 191 Q CB -0.226 28.549 28.738 0.063 0.000 0.894 191 Q HN 0.742 nan 8.270 nan 0.000 0.433 192 E N 0.118 120.369 120.200 0.084 0.000 2.160 192 E HA -0.211 4.139 4.350 -0.001 0.000 0.195 192 E C 1.765 178.343 176.600 -0.036 0.000 0.991 192 E CA 0.916 57.282 56.400 -0.057 0.000 0.810 192 E CB -0.108 29.525 29.700 -0.112 0.000 0.742 192 E HN 0.463 nan 8.360 nan 0.000 0.466 193 A N 1.115 123.927 122.820 -0.014 0.000 2.014 193 A HA 0.086 4.405 4.320 -0.001 0.000 0.218 193 A C 2.295 179.895 177.584 0.027 0.000 1.163 193 A CA 1.169 53.192 52.037 -0.023 0.000 0.652 193 A CB -0.206 18.782 19.000 -0.020 0.000 0.808 193 A HN 0.270 nan 8.150 nan 0.000 0.449 194 A N -1.247 121.610 122.820 0.061 0.000 1.970 194 A HA -0.058 4.262 4.320 -0.001 0.000 0.216 194 A C 2.089 179.720 177.584 0.079 0.000 1.170 194 A CA 1.515 53.588 52.037 0.061 0.000 0.645 194 A CB -0.879 18.159 19.000 0.064 0.000 0.816 194 A HN 0.568 nan 8.150 nan 0.000 0.447 195 C N -2.112 117.290 119.300 0.170 0.000 2.533 195 C HA 0.259 4.719 4.460 -0.001 0.000 0.272 195 C C 0.445 175.364 174.990 -0.118 0.000 1.371 195 C CA -0.089 59.007 59.018 0.130 0.000 1.758 195 C CB -1.251 26.734 27.740 0.409 0.000 1.972 195 C HN 0.494 nan 8.230 nan 0.000 0.522 196 F N 0.573 120.431 119.950 -0.153 0.000 2.627 196 F HA 0.323 4.849 4.527 -0.001 0.000 0.329 196 F C -1.756 173.924 175.800 -0.200 0.000 1.378 196 F CA -2.453 55.407 58.000 -0.234 0.000 1.134 196 F CB -0.322 38.369 39.000 -0.514 0.000 1.229 196 F HN 0.003 nan 8.300 nan 0.000 0.537 197 P HA -0.198 nan 4.420 nan 0.000 0.215 197 P C 1.571 178.854 177.300 -0.028 0.000 1.153 197 P CA 1.751 64.836 63.100 -0.024 0.000 0.853 197 P CB 0.167 31.850 31.700 -0.029 0.000 0.788 198 D N -0.420 119.961 120.400 -0.032 0.000 2.158 198 D HA -0.183 4.456 4.640 -0.001 0.000 0.197 198 D C 1.690 177.980 176.300 -0.015 0.000 0.995 198 D CA 1.383 55.370 54.000 -0.021 0.000 0.846 198 D CB -0.808 39.979 40.800 -0.021 0.000 0.941 198 D HN 0.108 nan 8.370 nan 0.000 0.456 199 I N 0.976 121.530 120.570 -0.027 0.000 2.206 199 I HA -0.140 4.030 4.170 -0.001 0.000 0.239 199 I C 2.761 178.835 176.117 -0.072 0.000 1.078 199 I CA 0.241 61.503 61.300 -0.062 0.000 1.367 199 I CB -1.063 36.814 38.000 -0.205 0.000 1.078 199 I HN 0.054 nan 8.210 nan 0.000 0.413 200 I N 1.605 122.118 120.570 -0.096 0.000 2.151 200 I HA -0.230 3.940 4.170 -0.001 0.000 0.243 200 I C 1.544 177.641 176.117 -0.034 0.000 1.080 200 I CA 1.750 63.009 61.300 -0.068 0.000 1.339 200 I CB -0.383 37.578 38.000 -0.065 0.000 1.039 200 I HN 0.284 nan 8.210 nan 0.000 0.409 201 S N 0.817 116.501 115.700 -0.027 0.000 3.548 201 S HA 0.608 5.077 4.470 -0.001 0.000 0.195 201 S C 0.138 174.732 174.600 -0.011 0.000 1.432 201 S CA -0.063 58.127 58.200 -0.016 0.000 1.087 201 S CB -0.270 62.921 63.200 -0.015 0.000 1.337 201 S HN 0.609 nan 8.310 nan 0.000 0.505 202 G N 1.135 109.930 108.800 -0.007 0.000 2.634 202 G HA2 0.592 4.552 3.960 -0.001 0.000 0.309 202 G HA3 0.592 4.552 3.960 -0.001 0.000 0.309 202 G C -3.400 171.504 174.900 0.007 0.000 1.299 202 G CA -1.262 43.839 45.100 0.001 0.000 0.798 202 G HN 0.236 nan 8.290 nan 0.000 0.490 203 P HA 0.073 nan 4.420 nan 0.000 0.260 203 P C 0.820 178.135 177.300 0.025 0.000 1.172 203 P CA 0.264 63.375 63.100 0.019 0.000 0.760 203 P CB 0.786 32.501 31.700 0.024 0.000 0.773 204 Q N 3.114 122.928 119.800 0.023 0.000 2.170 204 Q HA -0.294 4.045 4.340 -0.001 0.000 0.203 204 Q C 1.726 177.752 176.000 0.044 0.000 0.976 204 Q CA 1.149 56.969 55.803 0.028 0.000 0.858 204 Q CB -0.456 28.294 28.738 0.021 0.000 0.907 204 Q HN 0.257 nan 8.270 nan 0.000 0.433 205 Q N 1.072 120.896 119.800 0.041 0.000 2.181 205 Q HA -0.131 4.208 4.340 -0.001 0.000 0.205 205 Q C 1.655 177.702 176.000 0.077 0.000 0.980 205 Q CA 2.503 58.336 55.803 0.051 0.000 0.862 205 Q CB -0.553 28.207 28.738 0.036 0.000 0.905 205 Q HN 0.541 nan 8.270 nan 0.000 0.429 206 T N 0.334 114.934 114.554 0.076 0.000 2.770 206 T HA -0.131 4.218 4.350 -0.001 0.000 0.263 206 T C 1.609 176.392 174.700 0.140 0.000 1.039 206 T CA 1.424 63.587 62.100 0.105 0.000 1.142 206 T CB -0.188 68.727 68.868 0.079 0.000 0.868 206 T HN 0.439 nan 8.240 nan 0.000 0.435 207 Q N 0.668 120.529 119.800 0.102 0.000 2.181 207 Q HA -0.147 4.192 4.340 -0.001 0.000 0.205 207 Q C 2.301 178.403 176.000 0.171 0.000 0.980 207 Q CA 1.274 57.150 55.803 0.123 0.000 0.862 207 Q CB -0.203 28.570 28.738 0.058 0.000 0.905 207 Q HN 0.239 nan 8.270 nan 0.000 0.429 208 K N 0.558 121.036 120.400 0.131 0.000 2.097 208 K HA -0.119 4.201 4.320 -0.001 0.000 0.206 208 K C 1.730 178.439 176.600 0.182 0.000 1.049 208 K CA 1.041 57.405 56.287 0.127 0.000 0.933 208 K CB -0.107 32.450 32.500 0.096 0.000 0.717 208 K HN 0.051 nan 8.250 nan 0.000 0.442 209 V N 0.573 120.622 119.914 0.225 0.000 2.323 209 V HA -0.140 3.980 4.120 -0.001 0.000 0.244 209 V C 2.000 178.255 176.094 0.267 0.000 1.041 209 V CA 1.659 64.146 62.300 0.312 0.000 1.025 209 V CB -0.752 31.266 31.823 0.325 0.000 0.656 209 V HN 0.286 nan 8.190 nan 0.000 0.451 210 F N 1.122 121.125 119.950 0.088 0.000 2.043 210 F HA -0.267 4.259 4.527 -0.001 0.000 0.297 210 F C 2.091 177.865 175.800 -0.044 0.000 1.118 210 F CA 1.881 59.878 58.000 -0.006 0.000 1.202 210 F CB -0.592 38.354 39.000 -0.090 0.000 0.965 210 F HN 0.019 nan 8.300 nan 0.000 0.482 211 L N -0.975 120.187 121.223 -0.103 0.000 1.978 211 L HA -0.280 4.060 4.340 -0.001 0.000 0.218 211 L C 2.504 179.259 176.870 -0.192 0.000 1.075 211 L CA 1.994 56.709 54.840 -0.208 0.000 0.767 211 L CB -1.254 40.806 42.059 0.001 0.000 0.890 211 L HN 0.260 nan 8.230 nan 0.000 0.434 212 F N 0.944 120.783 119.950 -0.185 0.000 2.043 212 F HA -0.303 4.223 4.527 -0.001 0.000 0.297 212 F C 2.405 178.024 175.800 -0.302 0.000 1.118 212 F CA 1.759 59.614 58.000 -0.241 0.000 1.202 212 F CB -0.362 38.431 39.000 -0.346 0.000 0.965 212 F HN -0.092 nan 8.300 nan 0.000 0.482 213 I N 0.051 120.436 120.570 -0.309 0.000 2.194 213 I HA -0.346 3.824 4.170 -0.001 0.000 0.246 213 I C 2.760 178.656 176.117 -0.368 0.000 1.093 213 I CA 1.633 62.740 61.300 -0.322 0.000 1.355 213 I CB -0.648 37.300 38.000 -0.086 0.000 1.046 213 I HN 0.188 nan 8.210 nan 0.000 0.413 214 R N 1.506 121.725 120.500 -0.468 0.000 2.073 214 R HA -0.171 4.169 4.340 -0.001 0.000 0.234 214 R C 1.875 177.992 176.300 -0.307 0.000 1.134 214 R CA 1.859 57.691 56.100 -0.447 0.000 0.952 214 R CB -0.469 29.410 30.300 -0.701 0.000 0.850 214 R HN 0.409 nan 8.270 nan 0.000 0.433 215 N N 0.768 119.279 118.700 -0.316 0.000 2.244 215 N HA -0.168 4.572 4.740 -0.001 0.000 0.183 215 N C 1.873 177.207 175.510 -0.295 0.000 1.016 215 N CA 0.943 53.854 53.050 -0.232 0.000 0.866 215 N CB -0.333 38.053 38.487 -0.169 0.000 0.980 215 N HN 0.149 nan 8.380 nan 0.000 0.430 216 R N 0.935 121.137 120.500 -0.498 0.000 2.090 216 R HA 0.088 4.428 4.340 -0.001 0.000 0.228 216 R C 1.954 178.115 176.300 -0.231 0.000 1.110 216 R CA 1.345 57.154 56.100 -0.485 0.000 0.973 216 R CB -0.860 28.952 30.300 -0.814 0.000 0.869 216 R HN 0.076 nan 8.270 nan 0.000 0.440 217 T N 1.342 115.787 114.554 -0.182 0.000 2.674 217 T HA -0.092 4.257 4.350 -0.001 0.000 0.265 217 T C 1.750 176.451 174.700 0.002 0.000 1.039 217 T CA 1.631 63.697 62.100 -0.055 0.000 1.150 217 T CB -0.254 68.587 68.868 -0.046 0.000 0.864 217 T HN 0.129 nan 8.240 nan 0.000 0.427 218 L N 0.886 122.098 121.223 -0.019 0.000 2.012 218 L HA -0.215 4.125 4.340 -0.001 0.000 0.210 218 L C 2.947 179.870 176.870 0.089 0.000 1.073 218 L CA 1.659 56.544 54.840 0.075 0.000 0.748 218 L CB -0.744 41.334 42.059 0.033 0.000 0.891 218 L HN 0.347 nan 8.230 nan 0.000 0.431 219 Q N 0.538 120.335 119.800 -0.005 0.000 2.062 219 Q HA -0.259 4.081 4.340 -0.001 0.000 0.209 219 Q C 2.389 178.383 176.000 -0.010 0.000 0.996 219 Q CA 2.001 57.790 55.803 -0.024 0.000 0.859 219 Q CB -0.193 28.502 28.738 -0.073 0.000 0.920 219 Q HN 0.501 nan 8.270 nan 0.000 0.415 220 L N -0.208 121.018 121.223 0.006 0.000 2.012 220 L HA -0.235 4.104 4.340 -0.001 0.000 0.210 220 L C 2.495 179.395 176.870 0.050 0.000 1.073 220 L CA 1.678 56.532 54.840 0.024 0.000 0.748 220 L CB -0.937 41.151 42.059 0.048 0.000 0.891 220 L HN 0.602 nan 8.230 nan 0.000 0.431 221 W N 1.171 122.433 121.300 -0.063 0.000 2.358 221 W HA -0.180 4.480 4.660 -0.000 0.000 0.303 221 W C 2.006 178.475 176.519 -0.084 0.000 1.208 221 W CA 1.235 58.531 57.345 -0.081 0.000 1.274 221 W CB -0.116 29.295 29.460 -0.081 0.000 1.138 221 W HN 0.124 nan 8.180 nan 0.000 0.515 222 L N 0.587 121.650 121.223 -0.266 0.000 2.156 222 L HA -0.144 4.196 4.340 -0.001 0.000 0.208 222 L C 1.815 178.503 176.870 -0.304 0.000 1.095 222 L CA 1.148 55.771 54.840 -0.361 0.000 0.770 222 L CB -0.928 41.069 42.059 -0.103 0.000 0.914 222 L HN -0.208 nan 8.230 nan 0.000 0.439 223 D N 0.349 120.631 120.400 -0.196 0.000 2.378 223 D HA -0.064 4.576 4.640 -0.001 0.000 0.227 223 D C 0.454 176.642 176.300 -0.186 0.000 1.012 223 D CA 0.692 54.600 54.000 -0.152 0.000 0.905 223 D CB 0.026 40.772 40.800 -0.089 0.000 0.895 223 D HN 0.209 nan 8.370 nan 0.000 0.532 224 N N -0.069 118.454 118.700 -0.295 0.000 3.211 224 N HA -0.001 4.739 4.740 -0.001 0.000 0.183 224 N C -2.586 172.610 175.510 -0.524 0.000 1.447 224 N CA -0.569 52.302 53.050 -0.298 0.000 0.840 224 N CB 1.045 39.433 38.487 -0.165 0.000 1.611 224 N HN -0.146 nan 8.380 nan 0.000 0.610 225 P HA 0.035 nan 4.420 nan 0.000 0.245 225 P C 0.927 177.849 177.300 -0.630 0.000 1.212 225 P CA 0.213 62.551 63.100 -1.271 0.000 0.774 225 P CB 0.581 31.597 31.700 -1.140 0.000 0.999 226 K N -0.026 120.179 120.400 -0.324 0.000 2.103 226 K HA 0.072 4.392 4.320 -0.001 0.000 0.204 226 K C 1.313 177.933 176.600 0.032 0.000 1.052 226 K CA 0.404 56.624 56.287 -0.111 0.000 0.945 226 K CB -0.100 32.345 32.500 -0.091 0.000 0.722 226 K HN 0.320 nan 8.250 nan 0.000 0.443 227 I N 0.864 121.447 120.570 0.021 0.000 2.648 227 I HA 0.078 4.247 4.170 -0.001 0.000 0.304 227 I C -0.228 176.039 176.117 0.251 0.000 1.009 227 I CA -0.837 60.553 61.300 0.151 0.000 1.114 227 I CB 1.873 39.924 38.000 0.084 0.000 1.293 227 I HN 0.035 nan 8.210 nan 0.000 0.449 228 Q N 5.316 125.344 119.800 0.380 0.000 2.311 228 Q HA 0.108 4.447 4.340 -0.001 0.000 0.272 228 Q C -1.267 174.869 176.000 0.227 0.000 1.012 228 Q CA -0.354 55.640 55.803 0.318 0.000 0.891 228 Q CB 1.036 30.036 28.738 0.437 0.000 1.201 228 Q HN 0.581 nan 8.270 nan 0.000 0.391 229 L N 5.767 127.118 121.223 0.213 0.000 2.288 229 L HA 0.265 4.604 4.340 -0.001 0.000 0.283 229 L C -0.323 176.736 176.870 0.314 0.000 1.072 229 L CA 0.049 55.031 54.840 0.237 0.000 0.862 229 L CB 0.589 42.812 42.059 0.273 0.000 1.245 229 L HN 0.761 nan 8.230 nan 0.000 0.432 230 T N 0.470 115.171 114.554 0.246 0.000 2.788 230 T HA 0.099 4.449 4.350 -0.001 0.000 0.287 230 T C 1.075 175.804 174.700 0.049 0.000 1.007 230 T CA -0.199 62.023 62.100 0.204 0.000 1.005 230 T CB 0.421 69.354 68.868 0.109 0.000 1.012 230 T HN 0.410 nan 8.240 nan 0.000 0.530 231 F N 1.941 121.592 119.950 -0.497 0.000 2.069 231 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 231 F C 2.397 178.069 175.800 -0.213 0.000 1.113 231 F CA 1.939 59.508 58.000 -0.718 0.000 1.214 231 F CB -0.805 37.868 39.000 -0.545 0.000 0.978 231 F HN 0.877 nan 8.300 nan 0.000 0.474 232 E N 0.176 120.116 120.200 -0.433 0.000 2.274 232 E HA -0.047 4.302 4.350 -0.001 0.000 0.194 232 E C 2.067 178.538 176.600 -0.215 0.000 0.996 232 E CA 0.862 56.992 56.400 -0.451 0.000 0.840 232 E CB -0.600 28.950 29.700 -0.250 0.000 0.772 232 E HN 0.394 nan 8.360 nan 0.000 0.491 233 A N 1.298 124.060 122.820 -0.097 0.000 1.968 233 A HA -0.075 4.245 4.320 -0.001 0.000 0.217 233 A C 2.282 179.868 177.584 0.004 0.000 1.169 233 A CA 1.626 53.654 52.037 -0.014 0.000 0.638 233 A CB -0.607 18.423 19.000 0.051 0.000 0.812 233 A HN 0.284 nan 8.150 nan 0.000 0.446 234 T N -0.174 114.390 114.554 0.017 0.000 2.894 234 T HA -0.037 4.313 4.350 -0.001 0.000 0.258 234 T C 1.748 176.454 174.700 0.010 0.000 1.043 234 T CA 1.200 63.343 62.100 0.072 0.000 1.141 234 T CB -0.285 68.717 68.868 0.224 0.000 0.873 234 T HN 0.265 nan 8.240 nan 0.000 0.449 235 L N 1.380 122.539 121.223 -0.106 0.000 2.265 235 L HA 0.007 4.347 4.340 -0.001 0.000 0.215 235 L C 1.899 178.733 176.870 -0.060 0.000 1.117 235 L CA 1.671 56.440 54.840 -0.119 0.000 0.782 235 L CB -0.587 41.248 42.059 -0.374 0.000 0.914 235 L HN 0.244 nan 8.230 nan 0.000 0.441 236 Q N -1.596 118.167 119.800 -0.061 0.000 2.319 236 Q HA 0.047 4.387 4.340 -0.001 0.000 0.202 236 Q C 1.260 177.265 176.000 0.009 0.000 0.896 236 Q CA 0.169 55.957 55.803 -0.025 0.000 0.942 236 Q CB 0.359 29.075 28.738 -0.037 0.000 1.083 236 Q HN 0.635 nan 8.270 nan 0.000 0.510 237 Q N -0.367 119.446 119.800 0.022 0.000 2.246 237 Q HA 0.228 4.568 4.340 -0.001 0.000 0.222 237 Q C -0.010 176.028 176.000 0.062 0.000 0.851 237 Q CA -0.095 55.730 55.803 0.037 0.000 0.945 237 Q CB 1.037 29.793 28.738 0.030 0.000 1.122 237 Q HN 0.252 nan 8.270 nan 0.000 0.508 238 L N 2.180 123.453 121.223 0.084 0.000 2.439 238 L HA 0.190 4.530 4.340 -0.001 0.000 0.261 238 L C 0.587 177.571 176.870 0.190 0.000 1.153 238 L CA -0.505 54.425 54.840 0.150 0.000 0.808 238 L CB 0.540 42.707 42.059 0.180 0.000 1.126 238 L HN 0.127 nan 8.230 nan 0.000 0.460 239 E N 1.346 121.723 120.200 0.296 0.000 2.243 239 E HA 0.546 4.896 4.350 -0.001 0.000 0.260 239 E C -0.748 175.999 176.600 0.245 0.000 0.985 239 E CA -1.027 55.519 56.400 0.243 0.000 0.858 239 E CB 1.255 31.093 29.700 0.229 0.000 1.210 239 E HN 0.512 nan 8.360 nan 0.000 0.411 240 A N 1.726 124.604 122.820 0.096 0.000 2.498 240 A HA 0.276 4.596 4.320 -0.001 0.000 0.239 240 A C -1.474 175.987 177.584 -0.205 0.000 1.068 240 A CA -0.740 51.286 52.037 -0.020 0.000 0.766 240 A CB -0.292 18.692 19.000 -0.027 0.000 1.003 240 A HN 0.618 nan 8.150 nan 0.000 0.497 241 P HA 0.074 nan 4.420 nan 0.000 0.268 241 P C 0.236 177.442 177.300 -0.156 0.000 1.329 241 P CA 0.310 63.267 63.100 -0.238 0.000 0.899 241 P CB 0.050 31.609 31.700 -0.235 0.000 1.378 242 Y N 2.913 123.264 120.300 0.085 0.000 2.114 242 Y HA -0.250 4.300 4.550 -0.001 0.000 0.282 242 Y C 2.311 178.285 175.900 0.123 0.000 1.165 242 Y CA 2.135 60.315 58.100 0.133 0.000 1.148 242 Y CB -2.175 36.416 38.460 0.218 0.000 0.972 242 Y HN 0.194 nan 8.280 nan 0.000 0.504 243 N N -0.717 118.137 118.700 0.256 0.000 2.513 243 N HA -0.150 4.590 4.740 -0.001 0.000 0.187 243 N C 1.442 177.021 175.510 0.115 0.000 1.056 243 N CA 0.989 54.137 53.050 0.163 0.000 0.907 243 N CB -0.321 38.237 38.487 0.119 0.000 0.954 243 N HN 0.187 nan 8.380 nan 0.000 0.445 244 S N 0.513 116.274 115.700 0.101 0.000 2.388 244 S HA -0.096 4.373 4.470 -0.001 0.000 0.223 244 S C 0.701 175.361 174.600 0.101 0.000 1.034 244 S CA 0.361 58.606 58.200 0.075 0.000 0.963 244 S CB -0.117 63.107 63.200 0.040 0.000 0.827 244 S HN 0.322 nan 8.310 nan 0.000 0.481 245 D N 2.249 122.728 120.400 0.131 0.000 2.600 245 D HA 0.138 4.778 4.640 -0.001 0.000 0.226 245 D C 0.727 177.147 176.300 0.201 0.000 1.119 245 D CA 0.132 54.224 54.000 0.154 0.000 1.051 245 D CB 0.146 41.049 40.800 0.173 0.000 1.106 245 D HN 0.139 nan 8.370 nan 0.000 0.491 246 T N 0.829 115.498 114.554 0.192 0.000 2.607 246 T HA -0.167 4.182 4.350 -0.001 0.000 0.267 246 T C 2.187 177.089 174.700 0.337 0.000 1.049 246 T CA 1.215 63.481 62.100 0.277 0.000 1.162 246 T CB -0.106 68.904 68.868 0.236 0.000 0.863 246 T HN 0.247 nan 8.240 nan 0.000 0.424 247 V N 2.169 122.213 119.914 0.215 0.000 2.278 247 V HA -0.185 3.934 4.120 -0.001 0.000 0.251 247 V C 2.499 178.717 176.094 0.207 0.000 1.062 247 V CA 1.587 63.978 62.300 0.151 0.000 1.038 247 V CB -0.856 31.018 31.823 0.084 0.000 0.646 247 V HN 0.395 nan 8.190 nan 0.000 0.447 248 L N 0.081 121.445 121.223 0.234 0.000 2.017 248 L HA -0.127 4.213 4.340 -0.001 0.000 0.208 248 L C 2.513 179.587 176.870 0.340 0.000 1.073 248 L CA 2.110 57.124 54.840 0.290 0.000 0.745 248 L CB -0.768 41.458 42.059 0.278 0.000 0.894 248 L HN 0.251 nan 8.230 nan 0.000 0.432 249 V N 0.103 120.225 119.914 0.347 0.000 2.282 249 V HA -0.353 3.766 4.120 -0.001 0.000 0.249 249 V C 2.690 179.030 176.094 0.410 0.000 1.057 249 V CA 2.083 64.616 62.300 0.388 0.000 1.032 249 V CB -1.102 30.988 31.823 0.444 0.000 0.645 249 V HN 0.601 nan 8.190 nan 0.000 0.447 250 H N 1.018 120.207 119.070 0.198 0.000 2.290 250 H HA -0.152 4.404 4.556 -0.001 0.000 0.298 250 H C 2.595 177.889 175.328 -0.057 0.000 1.087 250 H CA 2.309 58.123 56.048 -0.390 0.000 1.291 250 H CB -0.056 29.231 29.762 -0.792 0.000 1.369 250 H HN 0.347 nan 8.280 nan 0.000 0.492 251 R N -0.153 120.528 120.500 0.303 0.000 2.103 251 R HA -0.118 4.222 4.340 -0.001 0.000 0.242 251 R C 2.643 179.247 176.300 0.507 0.000 1.142 251 R CA 1.559 57.863 56.100 0.341 0.000 0.960 251 R CB -0.213 30.273 30.300 0.310 0.000 0.858 251 R HN 0.174 nan 8.270 nan 0.000 0.439 252 V N 0.303 120.505 119.914 0.480 0.000 2.244 252 V HA -0.269 3.851 4.120 -0.001 0.000 0.244 252 V C 2.432 178.694 176.094 0.281 0.000 1.042 252 V CA 1.959 64.481 62.300 0.370 0.000 1.006 252 V CB -0.879 31.029 31.823 0.142 0.000 0.641 252 V HN 0.438 nan 8.190 nan 0.000 0.446 253 H N 0.902 120.038 119.070 0.109 0.000 2.289 253 H HA -0.188 4.368 4.556 -0.001 0.000 0.294 253 H C 2.427 177.748 175.328 -0.012 0.000 1.095 253 H CA 2.439 58.514 56.048 0.045 0.000 1.256 253 H CB -0.271 29.539 29.762 0.079 0.000 1.359 253 H HN 0.419 nan 8.280 nan 0.000 0.487 254 S N 0.129 115.902 115.700 0.122 0.000 2.359 254 S HA -0.223 4.247 4.470 -0.001 0.000 0.223 254 S C 2.000 176.630 174.600 0.050 0.000 1.039 254 S CA 1.491 59.702 58.200 0.017 0.000 1.042 254 S CB -0.925 62.205 63.200 -0.117 0.000 0.915 254 S HN 0.601 nan 8.310 nan 0.000 0.439 255 Y N 2.522 122.871 120.300 0.082 0.000 2.053 255 Y HA -0.218 4.332 4.550 -0.001 0.000 0.277 255 Y C 1.974 177.928 175.900 0.090 0.000 1.159 255 Y CA 1.596 59.795 58.100 0.165 0.000 1.125 255 Y CB -0.636 38.085 38.460 0.435 0.000 0.969 255 Y HN 0.143 nan 8.280 nan 0.000 0.492 256 L N 0.083 121.447 121.223 0.235 0.000 2.127 256 L HA -0.242 4.097 4.340 -0.001 0.000 0.211 256 L C 2.566 179.334 176.870 -0.170 0.000 1.089 256 L CA 1.959 56.817 54.840 0.029 0.000 0.757 256 L CB -0.630 41.402 42.059 -0.045 0.000 0.899 256 L HN 0.387 nan 8.230 nan 0.000 0.434 257 E N 0.267 120.345 120.200 -0.203 0.000 2.076 257 E HA -0.226 4.123 4.350 -0.001 0.000 0.190 257 E C 2.243 178.818 176.600 -0.042 0.000 0.979 257 E CA 0.500 56.801 56.400 -0.164 0.000 0.807 257 E CB 0.167 29.801 29.700 -0.109 0.000 0.761 257 E HN 0.139 nan 8.360 nan 0.000 0.454 258 R N 0.166 120.532 120.500 -0.225 0.000 2.189 258 R HA -0.095 4.245 4.340 -0.001 0.000 0.223 258 R C 0.890 176.870 176.300 -0.533 0.000 1.092 258 R CA 1.385 57.200 56.100 -0.474 0.000 0.989 258 R CB -0.184 29.694 30.300 -0.705 0.000 0.876 258 R HN 0.259 nan 8.270 nan 0.000 0.457 259 H N -1.486 117.439 119.070 -0.241 0.000 2.486 259 H HA 0.308 4.864 4.556 -0.001 0.000 0.284 259 H C 0.719 175.922 175.328 -0.208 0.000 1.103 259 H CA 0.305 56.206 56.048 -0.245 0.000 1.089 259 H CB 0.581 30.098 29.762 -0.407 0.000 1.603 259 H HN 0.388 nan 8.280 nan 0.000 0.557 260 G N 1.410 110.147 108.800 -0.105 0.000 2.166 260 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.260 260 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.260 260 G C 1.212 175.816 174.900 -0.493 0.000 0.986 260 G CA 0.590 45.536 45.100 -0.257 0.000 0.683 260 G HN 0.457 nan 8.290 nan 0.000 0.527 261 L N -0.199 120.836 121.223 -0.314 0.000 2.395 261 L HA 0.319 4.659 4.340 -0.001 0.000 0.218 261 L C 1.576 178.266 176.870 -0.301 0.000 1.130 261 L CA 1.202 55.876 54.840 -0.276 0.000 0.826 261 L CB -0.231 41.762 42.059 -0.110 0.000 0.941 261 L HN 0.648 nan 8.230 nan 0.000 0.451 262 I N -5.834 114.444 120.570 -0.488 0.000 2.913 262 I HA 0.397 4.567 4.170 -0.001 0.000 0.302 262 I C -0.876 174.529 176.117 -1.186 0.000 1.246 262 I CA -0.997 59.612 61.300 -1.153 0.000 1.010 262 I CB 1.948 39.446 38.000 -0.836 0.000 1.259 262 I HN -0.122 nan 8.210 nan 0.000 0.434 263 N N 2.684 119.948 118.700 -2.393 0.000 2.727 263 N HA -0.200 4.539 4.740 -0.001 0.000 0.251 263 N C -1.152 173.911 175.510 -0.745 0.000 1.040 263 N CA 1.453 53.472 53.050 -1.718 0.000 0.712 263 N CB -1.203 36.793 38.487 -0.819 0.000 0.912 263 N HN 0.722 nan 8.380 nan 0.000 0.545 264 F N -2.756 116.851 119.950 -0.571 0.000 2.611 264 F HA 0.872 5.399 4.527 -0.001 0.000 0.324 264 F C 1.066 177.057 175.800 0.319 0.000 1.061 264 F CA 0.012 58.015 58.000 0.006 0.000 0.954 264 F CB 1.029 39.991 39.000 -0.063 0.000 1.301 264 F HN 0.224 nan 8.300 nan 0.000 0.482 265 G N 1.377 110.344 108.800 0.279 0.000 2.520 265 G HA2 -0.112 3.847 3.960 -0.001 0.000 0.248 265 G HA3 -0.112 3.847 3.960 -0.001 0.000 0.248 265 G C -1.417 173.587 174.900 0.173 0.000 1.161 265 G CA -0.098 45.093 45.100 0.153 0.000 0.946 265 G HN 0.911 nan 8.290 nan 0.000 0.565 266 I N 1.742 122.395 120.570 0.138 0.000 2.410 266 I HA 0.737 4.907 4.170 -0.001 0.000 0.286 266 I C -0.235 175.966 176.117 0.140 0.000 1.009 266 I CA -0.711 60.615 61.300 0.044 0.000 1.111 266 I CB 1.402 39.398 38.000 -0.008 0.000 1.262 266 I HN 0.840 nan 8.210 nan 0.000 0.443 267 Y N 3.100 123.402 120.300 0.004 0.000 2.609 267 Y HA 0.616 5.166 4.550 -0.001 0.000 0.336 267 Y C -0.779 175.133 175.900 0.021 0.000 1.129 267 Y CA -1.586 56.526 58.100 0.020 0.000 1.040 267 Y CB 0.944 39.472 38.460 0.114 0.000 1.310 267 Y HN 0.195 nan 8.280 nan 0.000 0.460 268 K N 2.058 122.527 120.400 0.116 0.000 2.382 268 K HA 0.218 4.537 4.320 -0.001 0.000 0.275 268 K C -0.589 176.071 176.600 0.099 0.000 1.009 268 K CA -0.218 56.096 56.287 0.045 0.000 0.970 268 K CB 0.526 33.065 32.500 0.066 0.000 0.934 268 K HN 0.795 nan 8.250 nan 0.000 0.479 269 R N 3.852 124.356 120.500 0.007 0.000 2.471 269 R HA 0.152 4.491 4.340 -0.001 0.000 0.292 269 R C 1.472 177.812 176.300 0.066 0.000 1.192 269 R CA -0.155 55.975 56.100 0.049 0.000 1.257 269 R CB -0.101 30.175 30.300 -0.041 0.000 1.130 269 R HN 0.663 nan 8.270 nan 0.000 0.558 270 I N -1.802 118.831 120.570 0.104 0.000 2.657 270 I HA -0.129 4.041 4.170 -0.001 0.000 0.261 270 I C -0.033 176.124 176.117 0.066 0.000 1.212 270 I CA 1.197 62.544 61.300 0.077 0.000 1.453 270 I CB -0.095 37.957 38.000 0.086 0.000 1.092 270 I HN 0.084 nan 8.210 nan 0.000 0.452 271 K N 2.459 122.905 120.400 0.076 0.000 2.507 271 K HA 0.478 4.798 4.320 -0.001 0.000 0.253 271 K C -2.388 174.242 176.600 0.050 0.000 0.969 271 K CA -1.840 54.486 56.287 0.065 0.000 0.908 271 K CB 1.487 34.037 32.500 0.083 0.000 1.127 271 K HN -0.069 nan 8.250 nan 0.000 0.437 272 P HA -0.086 nan 4.420 nan 0.000 0.266 272 P C -0.428 176.884 177.300 0.020 0.000 1.186 272 P CA 0.171 63.282 63.100 0.018 0.000 0.767 272 P CB 0.506 32.215 31.700 0.015 0.000 0.820 273 L N 4.507 125.733 121.223 0.005 0.000 2.397 273 L HA 0.261 4.601 4.340 -0.001 0.000 0.271 273 L C -1.405 175.472 176.870 0.012 0.000 1.148 273 L CA -1.831 53.013 54.840 0.007 0.000 0.825 273 L CB -0.234 41.816 42.059 -0.015 0.000 1.117 273 L HN 0.349 nan 8.230 nan 0.000 0.456 274 P HA -0.042 nan 4.420 nan 0.000 0.267 274 P C 0.443 177.750 177.300 0.012 0.000 1.205 274 P CA -0.076 63.037 63.100 0.021 0.000 0.765 274 P CB 1.082 32.800 31.700 0.030 0.000 0.828 275 T N 1.370 115.930 114.554 0.010 0.000 2.881 275 T HA -0.099 4.250 4.350 -0.001 0.000 0.270 275 T C 0.932 175.635 174.700 0.005 0.000 1.068 275 T CA 0.893 62.996 62.100 0.005 0.000 1.131 275 T CB -0.332 68.539 68.868 0.005 0.000 0.871 275 T HN 0.440 nan 8.240 nan 0.000 0.479 276 K N 2.459 122.865 120.400 0.010 0.000 2.266 276 K HA 0.287 4.606 4.320 -0.001 0.000 0.274 276 K C -1.014 175.593 176.600 0.012 0.000 1.090 276 K CA -0.416 55.877 56.287 0.010 0.000 0.925 276 K CB 0.669 33.177 32.500 0.014 0.000 1.225 276 K HN 0.222 nan 8.250 nan 0.000 0.458 277 K N 2.240 122.643 120.400 0.006 0.000 2.349 277 K HA 0.126 4.445 4.320 -0.001 0.000 0.289 277 K C -0.509 176.095 176.600 0.006 0.000 1.064 277 K CA -0.055 56.234 56.287 0.004 0.000 0.947 277 K CB 0.612 33.107 32.500 -0.008 0.000 1.007 277 K HN 0.452 nan 8.250 nan 0.000 0.478 278 T N 2.248 116.810 114.554 0.014 0.000 2.733 278 T HA 0.453 4.802 4.350 -0.001 0.000 0.294 278 T C 0.157 174.862 174.700 0.009 0.000 0.956 278 T CA -0.446 61.666 62.100 0.020 0.000 0.987 278 T CB 1.154 70.042 68.868 0.033 0.000 0.920 278 T HN 0.846 nan 8.240 nan 0.000 0.470 279 G N 2.306 111.106 108.800 0.000 0.000 3.039 279 G HA2 0.003 3.962 3.960 -0.001 0.000 0.686 279 G HA3 0.003 3.962 3.960 -0.001 0.000 0.686 279 G C -0.917 173.926 174.900 -0.095 0.000 1.066 279 G CA -1.060 44.011 45.100 -0.049 0.000 0.774 279 G HN 0.726 nan 8.290 nan 0.000 0.591 280 K N 0.783 121.113 120.400 -0.116 0.000 2.339 280 K HA 0.739 5.058 4.320 -0.001 0.000 0.264 280 K C -0.638 175.863 176.600 -0.165 0.000 0.986 280 K CA -0.700 55.524 56.287 -0.106 0.000 0.866 280 K CB 1.830 34.301 32.500 -0.047 0.000 1.103 280 K HN 1.381 nan 8.250 nan 0.000 0.441 281 V N 6.276 126.086 119.914 -0.173 0.000 2.588 281 V HA 0.569 4.689 4.120 -0.001 0.000 0.304 281 V C -1.257 174.750 176.094 -0.145 0.000 1.042 281 V CA -0.909 61.275 62.300 -0.194 0.000 0.877 281 V CB 1.437 33.097 31.823 -0.272 0.000 0.996 281 V HN 0.684 nan 8.190 nan 0.000 0.425 282 I N 7.437 127.936 120.570 -0.118 0.000 2.331 282 I HA 0.447 4.617 4.170 -0.001 0.000 0.292 282 I C 0.030 176.075 176.117 -0.120 0.000 0.998 282 I CA -0.274 60.951 61.300 -0.126 0.000 1.267 282 I CB 1.467 39.410 38.000 -0.095 0.000 1.386 282 I HN 0.497 nan 8.210 nan 0.000 0.476 283 I N 6.975 127.464 120.570 -0.135 0.000 2.330 283 I HA 0.350 4.520 4.170 -0.001 0.000 0.289 283 I C 0.152 176.203 176.117 -0.110 0.000 1.001 283 I CA -0.511 60.722 61.300 -0.112 0.000 1.193 283 I CB 1.306 39.244 38.000 -0.104 0.000 1.345 283 I HN 0.311 nan 8.210 nan 0.000 0.461 284 I N 6.311 126.831 120.570 -0.083 0.000 2.322 284 I HA 0.439 4.609 4.170 -0.001 0.000 0.292 284 I C 0.737 176.824 176.117 -0.051 0.000 1.060 284 I CA 0.065 61.322 61.300 -0.072 0.000 1.309 284 I CB 0.467 38.442 38.000 -0.042 0.000 1.415 284 I HN 0.850 nan 8.210 nan 0.000 0.492 285 G N 3.719 112.474 108.800 -0.075 0.000 3.225 285 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.686 285 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.686 285 G C -0.094 174.775 174.900 -0.051 0.000 1.105 285 G CA -0.361 44.707 45.100 -0.053 0.000 0.831 285 G HN 0.591 nan 8.290 nan 0.000 0.578 286 S N 1.439 117.106 115.700 -0.055 0.000 2.552 286 S HA 0.525 4.994 4.470 -0.001 0.000 0.246 286 S C 1.487 176.076 174.600 -0.018 0.000 1.019 286 S CA 0.918 59.090 58.200 -0.047 0.000 1.045 286 S CB -0.749 62.414 63.200 -0.062 0.000 0.784 286 S HN 1.754 nan 8.310 nan 0.000 0.453 287 G N 0.392 109.193 108.800 0.002 0.000 2.653 287 G HA2 0.298 4.257 3.960 -0.001 0.000 0.265 287 G HA3 0.298 4.257 3.960 -0.001 0.000 0.265 287 G C 1.103 176.005 174.900 0.003 0.000 1.237 287 G CA -0.303 44.807 45.100 0.017 0.000 0.946 287 G HN 0.254 nan 8.290 nan 0.000 0.522 288 V N 0.774 120.684 119.914 -0.007 0.000 2.392 288 V HA -0.233 3.886 4.120 -0.001 0.000 0.249 288 V C 3.237 179.336 176.094 0.008 0.000 1.059 288 V CA 2.684 64.978 62.300 -0.010 0.000 1.051 288 V CB -0.757 31.041 31.823 -0.041 0.000 0.658 288 V HN 0.869 nan 8.190 nan 0.000 0.455 289 S N 0.910 116.620 115.700 0.016 0.000 2.368 289 S HA -0.090 4.380 4.470 -0.001 0.000 0.224 289 S C 2.116 176.725 174.600 0.015 0.000 1.029 289 S CA 1.382 59.597 58.200 0.024 0.000 0.988 289 S CB -0.950 62.276 63.200 0.045 0.000 0.838 289 S HN 0.529 nan 8.310 nan 0.000 0.462 290 G N 1.972 110.778 108.800 0.009 0.000 2.404 290 G HA2 -0.004 3.956 3.960 -0.001 0.000 0.215 290 G HA3 -0.004 3.956 3.960 -0.001 0.000 0.215 290 G C 1.493 176.378 174.900 -0.025 0.000 1.174 290 G CA 0.856 45.949 45.100 -0.012 0.000 0.780 290 G HN 0.497 nan 8.290 nan 0.000 0.537 291 L N 0.679 121.891 121.223 -0.018 0.000 2.083 291 L HA -0.033 4.306 4.340 -0.001 0.000 0.209 291 L C 3.399 180.262 176.870 -0.012 0.000 1.083 291 L CA 0.874 55.701 54.840 -0.022 0.000 0.752 291 L CB -0.432 41.618 42.059 -0.014 0.000 0.899 291 L HN 0.309 nan 8.230 nan 0.000 0.433 292 A N 0.361 123.186 122.820 0.008 0.000 1.845 292 A HA -0.209 4.111 4.320 -0.001 0.000 0.215 292 A C 2.558 180.142 177.584 0.000 0.000 1.195 292 A CA 1.931 53.985 52.037 0.028 0.000 0.616 292 A CB -0.936 18.091 19.000 0.045 0.000 0.832 292 A HN 0.376 nan 8.150 nan 0.000 0.443 293 A N -0.319 122.495 122.820 -0.010 0.000 1.940 293 A HA 0.114 4.434 4.320 -0.001 0.000 0.219 293 A C 2.502 180.055 177.584 -0.052 0.000 1.176 293 A CA 2.319 54.342 52.037 -0.024 0.000 0.631 293 A CB -1.070 17.915 19.000 -0.025 0.000 0.814 293 A HN 1.143 nan 8.150 nan 0.000 0.446 294 A N -0.019 122.765 122.820 -0.059 0.000 1.883 294 A HA -0.205 4.114 4.320 -0.001 0.000 0.217 294 A C 2.230 179.755 177.584 -0.097 0.000 1.186 294 A CA 1.636 53.626 52.037 -0.078 0.000 0.624 294 A CB -0.513 18.442 19.000 -0.075 0.000 0.822 294 A HN 0.563 nan 8.150 nan 0.000 0.444 295 R N -0.914 119.532 120.500 -0.090 0.000 2.152 295 R HA -0.100 4.239 4.340 -0.001 0.000 0.232 295 R C 2.345 178.524 176.300 -0.201 0.000 1.117 295 R CA 1.183 57.212 56.100 -0.117 0.000 0.981 295 R CB -0.189 30.069 30.300 -0.071 0.000 0.870 295 R HN 0.568 nan 8.270 nan 0.000 0.451 296 Q N 0.486 120.147 119.800 -0.231 0.000 1.969 296 Q HA -0.076 4.264 4.340 -0.001 0.000 0.198 296 Q C 2.227 177.832 176.000 -0.659 0.000 0.978 296 Q CA 1.101 56.586 55.803 -0.531 0.000 0.830 296 Q CB -0.408 28.164 28.738 -0.276 0.000 0.896 296 Q HN 0.172 nan 8.270 nan 0.000 0.431 297 L N 1.552 122.683 121.223 -0.154 0.000 2.089 297 L HA -0.240 4.100 4.340 -0.001 0.000 0.213 297 L C 2.510 179.367 176.870 -0.021 0.000 1.079 297 L CA 1.796 56.677 54.840 0.069 0.000 0.758 297 L CB -0.959 41.101 42.059 0.003 0.000 0.891 297 L HN 0.368 nan 8.230 nan 0.000 0.433 298 Q N -0.740 118.990 119.800 -0.116 0.000 2.046 298 Q HA -0.186 4.154 4.340 -0.001 0.000 0.200 298 Q C 2.291 178.225 176.000 -0.110 0.000 0.975 298 Q CA 1.905 57.649 55.803 -0.097 0.000 0.836 298 Q CB -0.011 28.661 28.738 -0.110 0.000 0.896 298 Q HN 0.638 nan 8.270 nan 0.000 0.428 299 S N -0.524 115.042 115.700 -0.223 0.000 2.474 299 S HA -0.080 4.390 4.470 -0.001 0.000 0.235 299 S C 1.095 175.631 174.600 -0.105 0.000 0.997 299 S CA 0.481 58.558 58.200 -0.205 0.000 0.949 299 S CB -0.287 62.745 63.200 -0.279 0.000 0.766 299 S HN 0.348 nan 8.310 nan 0.000 0.517 300 F N 2.560 122.500 119.950 -0.018 0.000 2.731 300 F HA 0.431 4.957 4.527 -0.001 0.000 0.304 300 F C 1.722 177.509 175.800 -0.021 0.000 1.133 300 F CA -1.136 56.850 58.000 -0.024 0.000 1.380 300 F CB -0.845 38.127 39.000 -0.045 0.000 1.079 300 F HN 0.345 nan 8.300 nan 0.000 0.550 301 G N 1.819 110.691 108.800 0.121 0.000 2.370 301 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.295 301 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.295 301 G C -0.234 174.699 174.900 0.055 0.000 1.045 301 G CA 0.343 45.484 45.100 0.067 0.000 1.199 301 G HN 0.391 nan 8.290 nan 0.000 0.513 302 M N 0.764 120.383 119.600 0.033 0.000 2.277 302 M HA 0.362 4.842 4.480 -0.001 0.000 0.282 302 M C -1.019 175.263 176.300 -0.030 0.000 1.074 302 M CA -0.914 54.389 55.300 0.005 0.000 0.954 302 M CB 1.522 34.130 32.600 0.015 0.000 1.672 302 M HN 0.149 nan 8.290 nan 0.000 0.471 303 D N 4.587 124.963 120.400 -0.040 0.000 2.363 303 D HA 0.288 4.928 4.640 -0.001 0.000 0.263 303 D C -0.950 175.304 176.300 -0.076 0.000 1.258 303 D CA 0.331 54.300 54.000 -0.051 0.000 0.907 303 D CB 0.609 41.384 40.800 -0.040 0.000 1.107 303 D HN 0.474 nan 8.370 nan 0.000 0.495 304 V N 1.480 121.344 119.914 -0.083 0.000 2.680 304 V HA 0.767 4.886 4.120 -0.001 0.000 0.309 304 V C -0.211 175.813 176.094 -0.117 0.000 1.052 304 V CA -0.623 61.614 62.300 -0.105 0.000 0.908 304 V CB 2.058 33.819 31.823 -0.103 0.000 1.001 304 V HN 0.434 nan 8.190 nan 0.000 0.431 305 T N 5.335 119.802 114.554 -0.146 0.000 2.921 305 T HA 0.743 5.093 4.350 -0.001 0.000 0.297 305 T C -0.960 173.612 174.700 -0.214 0.000 1.013 305 T CA -0.309 61.677 62.100 -0.191 0.000 0.990 305 T CB 1.411 70.131 68.868 -0.248 0.000 1.023 305 T HN 0.634 nan 8.240 nan 0.000 0.447 306 L N 3.176 124.275 121.223 -0.207 0.000 2.313 306 L HA 0.583 4.922 4.340 -0.001 0.000 0.283 306 L C -0.525 176.205 176.870 -0.233 0.000 1.013 306 L CA -0.452 54.274 54.840 -0.190 0.000 0.816 306 L CB 1.137 43.114 42.059 -0.138 0.000 1.236 306 L HN 0.478 nan 8.230 nan 0.000 0.419 307 L N 2.884 123.968 121.223 -0.231 0.000 2.276 307 L HA 0.541 4.881 4.340 -0.001 0.000 0.286 307 L C -0.243 176.514 176.870 -0.188 0.000 1.024 307 L CA -0.503 54.195 54.840 -0.237 0.000 0.826 307 L CB 1.532 43.445 42.059 -0.244 0.000 1.211 307 L HN 0.542 nan 8.230 nan 0.000 0.422 308 E N 2.035 122.121 120.200 -0.189 0.000 2.179 308 E HA 0.525 4.874 4.350 -0.001 0.000 0.275 308 E C 0.254 176.679 176.600 -0.293 0.000 0.945 308 E CA -0.236 56.038 56.400 -0.210 0.000 0.792 308 E CB 2.112 31.715 29.700 -0.161 0.000 1.125 308 E HN 0.552 nan 8.360 nan 0.000 0.397 309 A N 5.082 127.606 122.820 -0.492 0.000 1.975 309 A HA 0.099 4.418 4.320 -0.001 0.000 0.215 309 A C 0.876 178.041 177.584 -0.697 0.000 1.170 309 A CA 0.592 52.128 52.037 -0.835 0.000 0.656 309 A CB -0.114 17.795 19.000 -1.819 0.000 0.821 309 A HN 0.588 nan 8.150 nan 0.000 0.449 310 R N 0.600 120.780 120.500 -0.532 0.000 2.649 310 R HA 0.234 4.573 4.340 -0.001 0.000 0.270 310 R C -0.235 176.008 176.300 -0.096 0.000 1.105 310 R CA 0.232 56.210 56.100 -0.203 0.000 1.193 310 R CB 0.194 30.455 30.300 -0.065 0.000 1.120 310 R HN 0.422 nan 8.270 nan 0.000 0.561 311 D N 0.574 120.967 120.400 -0.011 0.000 2.434 311 D HA 0.022 4.661 4.640 -0.001 0.000 0.232 311 D C 0.014 176.311 176.300 -0.004 0.000 1.166 311 D CA -0.189 53.808 54.000 -0.005 0.000 0.830 311 D CB -0.036 40.778 40.800 0.023 0.000 0.960 311 D HN 0.504 nan 8.370 nan 0.000 0.497 312 R N -1.753 118.741 120.500 -0.010 0.000 2.829 312 R HA 0.640 4.979 4.340 -0.001 0.000 0.267 312 R C -1.061 175.234 176.300 -0.008 0.000 1.051 312 R CA -1.055 55.045 56.100 -0.000 0.000 0.927 312 R CB 0.849 31.165 30.300 0.026 0.000 1.292 312 R HN -0.090 nan 8.270 nan 0.000 0.445 313 V N -3.140 116.776 119.914 0.002 0.000 3.166 313 V HA 0.883 5.002 4.120 -0.001 0.000 0.317 313 V C 0.814 176.923 176.094 0.024 0.000 1.136 313 V CA 0.165 62.465 62.300 -0.001 0.000 1.035 313 V CB 0.847 32.663 31.823 -0.012 0.000 1.110 313 V HN 1.251 nan 8.190 nan 0.000 0.450 314 G N -0.886 107.925 108.800 0.019 0.000 2.308 314 G HA2 0.073 4.032 3.960 -0.001 0.000 0.221 314 G HA3 0.073 4.032 3.960 -0.001 0.000 0.221 314 G C 1.775 176.703 174.900 0.048 0.000 1.032 314 G CA 0.905 46.018 45.100 0.022 0.000 0.623 314 G HN 2.753 nan 8.290 nan 0.000 0.506 315 G N 0.536 109.391 108.800 0.091 0.000 2.634 315 G HA2 -0.413 3.547 3.960 -0.001 0.000 0.318 315 G HA3 -0.413 3.547 3.960 -0.001 0.000 0.318 315 G C 0.825 175.868 174.900 0.239 0.000 1.207 315 G CA 1.371 46.564 45.100 0.156 0.000 0.987 315 G HN 1.250 nan 8.290 nan 0.000 0.547 316 R N -0.012 120.577 120.500 0.149 0.000 2.362 316 R HA 0.287 4.626 4.340 -0.001 0.000 0.204 316 R C -0.087 176.161 176.300 -0.087 0.000 1.088 316 R CA 0.379 56.466 56.100 -0.021 0.000 1.121 316 R CB -0.182 30.028 30.300 -0.150 0.000 0.954 316 R HN 0.206 nan 8.270 nan 0.000 0.478 317 V N 0.988 120.922 119.914 0.034 0.000 2.327 317 V HA 0.443 4.563 4.120 -0.001 0.000 0.272 317 V C -0.362 175.801 176.094 0.115 0.000 1.019 317 V CA -0.712 61.575 62.300 -0.021 0.000 0.814 317 V CB 1.230 32.953 31.823 -0.166 0.000 1.040 317 V HN 0.150 nan 8.190 nan 0.000 0.440 318 A N 3.213 126.166 122.820 0.221 0.000 2.355 318 A HA 0.961 5.281 4.320 -0.001 0.000 0.324 318 A C -0.160 177.541 177.584 0.196 0.000 1.117 318 A CA -0.564 51.611 52.037 0.228 0.000 0.785 318 A CB 1.778 20.963 19.000 0.307 0.000 1.254 318 A HN 0.555 nan 8.150 nan 0.000 0.453 319 T N 1.631 116.276 114.554 0.153 0.000 2.937 319 T HA 0.400 4.749 4.350 -0.001 0.000 0.297 319 T C -1.029 173.745 174.700 0.122 0.000 0.991 319 T CA -0.156 62.022 62.100 0.130 0.000 0.990 319 T CB 0.602 69.529 68.868 0.097 0.000 0.991 319 T HN 0.531 nan 8.240 nan 0.000 0.440 320 F N 4.410 124.347 119.950 -0.021 0.000 2.472 320 F HA 0.520 5.046 4.527 -0.001 0.000 0.364 320 F C 0.349 176.130 175.800 -0.032 0.000 1.090 320 F CA -0.523 57.459 58.000 -0.030 0.000 1.188 320 F CB 0.273 39.242 39.000 -0.053 0.000 1.105 320 F HN 0.389 nan 8.300 nan 0.000 0.536 321 R N 5.874 125.976 120.500 -0.665 0.000 2.483 321 R HA 0.398 4.738 4.340 -0.001 0.000 0.303 321 R C -1.323 174.600 176.300 -0.629 0.000 0.987 321 R CA -0.988 54.797 56.100 -0.525 0.000 0.881 321 R CB 1.877 32.040 30.300 -0.228 0.000 1.177 321 R HN 0.606 nan 8.270 nan 0.000 0.451 322 K N 2.117 122.197 120.400 -0.533 0.000 2.656 322 K HA 0.348 4.668 4.320 -0.001 0.000 0.253 322 K C 0.060 176.626 176.600 -0.057 0.000 1.002 322 K CA 0.176 56.293 56.287 -0.283 0.000 0.880 322 K CB 1.456 33.773 32.500 -0.303 0.000 1.232 322 K HN 0.705 nan 8.250 nan 0.000 0.456 323 G N 3.470 112.232 108.800 -0.063 0.000 2.561 323 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.289 323 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.289 323 G C 0.202 175.027 174.900 -0.125 0.000 1.169 323 G CA 0.264 45.320 45.100 -0.073 0.000 0.980 323 G HN 0.665 nan 8.290 nan 0.000 0.550 324 N N 0.525 119.081 118.700 -0.239 0.000 2.270 324 N HA 0.171 4.911 4.740 -0.001 0.000 0.198 324 N C -0.258 175.126 175.510 -0.211 0.000 1.117 324 N CA 0.312 53.228 53.050 -0.225 0.000 0.845 324 N CB 0.211 38.547 38.487 -0.250 0.000 0.980 324 N HN 0.394 nan 8.380 nan 0.000 0.486 325 Y N 0.493 120.785 120.300 -0.014 0.000 2.316 325 Y HA 0.327 4.877 4.550 -0.001 0.000 0.331 325 Y C 0.509 176.354 175.900 -0.092 0.000 1.083 325 Y CA -0.545 57.561 58.100 0.010 0.000 1.206 325 Y CB 1.063 39.582 38.460 0.098 0.000 1.195 325 Y HN -0.321 nan 8.280 nan 0.000 0.497 326 V N 2.318 122.273 119.914 0.069 0.000 2.808 326 V HA 0.913 5.033 4.120 -0.001 0.000 0.308 326 V C -0.756 174.971 176.094 -0.610 0.000 1.099 326 V CA -1.016 61.183 62.300 -0.167 0.000 0.920 326 V CB 1.740 33.488 31.823 -0.125 0.000 1.014 326 V HN 0.846 nan 8.190 nan 0.000 0.425 327 A N 2.683 125.208 122.820 -0.491 0.000 2.555 327 A HA 0.689 5.008 4.320 -0.001 0.000 0.297 327 A C -1.653 175.859 177.584 -0.121 0.000 1.060 327 A CA -0.654 50.986 52.037 -0.663 0.000 0.710 327 A CB 1.510 20.394 19.000 -0.193 0.000 1.282 327 A HN 0.693 nan 8.150 nan 0.000 0.399 328 D N 2.557 122.999 120.400 0.070 0.000 2.274 328 D HA 0.324 4.964 4.640 -0.001 0.000 0.239 328 D C 0.570 176.980 176.300 0.183 0.000 1.104 328 D CA -0.329 53.781 54.000 0.184 0.000 0.840 328 D CB 1.654 42.610 40.800 0.261 0.000 1.100 328 D HN 0.331 nan 8.370 nan 0.000 0.477 329 L N 1.685 123.046 121.223 0.231 0.000 2.477 329 L HA 0.168 4.507 4.340 -0.001 0.000 0.220 329 L C 1.535 178.710 176.870 0.507 0.000 1.106 329 L CA 0.706 55.734 54.840 0.314 0.000 0.851 329 L CB -0.512 41.710 42.059 0.272 0.000 0.994 329 L HN 0.371 nan 8.230 nan 0.000 0.462 330 G N -0.771 108.245 108.800 0.360 0.000 3.410 330 G HA2 0.502 4.461 3.960 -0.001 0.000 0.189 330 G HA3 0.502 4.461 3.960 -0.001 0.000 0.189 330 G C -0.084 174.810 174.900 -0.011 0.000 1.404 330 G CA 0.320 45.469 45.100 0.081 0.000 0.898 330 G HN 0.229 nan 8.290 nan 0.000 0.650 331 A N -0.201 122.576 122.820 -0.073 0.000 2.492 331 A HA 0.492 4.811 4.320 -0.001 0.000 0.236 331 A C 0.782 178.506 177.584 0.234 0.000 1.078 331 A CA 1.299 53.331 52.037 -0.007 0.000 0.773 331 A CB -0.053 18.830 19.000 -0.196 0.000 1.023 331 A HN 1.267 nan 8.150 nan 0.000 0.504 332 M N -0.530 119.233 119.600 0.272 0.000 2.096 332 M HA 0.306 4.785 4.480 -0.001 0.000 0.422 332 M C -1.241 175.108 176.300 0.081 0.000 0.886 332 M CA 0.079 55.502 55.300 0.206 0.000 1.103 332 M CB 0.024 32.638 32.600 0.024 0.000 2.239 332 M HN 0.237 nan 8.290 nan 0.000 0.758 333 V N 1.919 121.903 119.914 0.117 0.000 2.769 333 V HA 0.620 4.739 4.120 -0.001 0.000 0.312 333 V C -0.441 175.692 176.094 0.066 0.000 1.061 333 V CA -0.735 61.605 62.300 0.066 0.000 0.931 333 V CB 2.242 34.126 31.823 0.102 0.000 1.010 333 V HN 0.119 nan 8.190 nan 0.000 0.433 334 V N 2.384 122.299 119.914 0.002 0.000 2.304 334 V HA 0.241 4.361 4.120 -0.001 0.000 0.278 334 V C 0.593 176.671 176.094 -0.027 0.000 1.018 334 V CA -0.502 61.801 62.300 0.004 0.000 0.814 334 V CB 1.440 33.228 31.823 -0.058 0.000 1.021 334 V HN 1.048 nan 8.190 nan 0.000 0.440 335 T N 1.482 115.989 114.554 -0.079 0.000 3.416 335 T HA 0.414 4.764 4.350 -0.001 0.000 0.247 335 T C 0.811 175.575 174.700 0.107 0.000 0.973 335 T CA 0.434 62.389 62.100 -0.241 0.000 1.166 335 T CB -0.550 68.204 68.868 -0.190 0.000 1.040 335 T HN 1.750 nan 8.240 nan 0.000 0.746 336 G N 2.881 111.805 108.800 0.208 0.000 3.295 336 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.627 336 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.627 336 G C 0.414 175.362 174.900 0.079 0.000 0.847 336 G CA -0.274 44.965 45.100 0.230 0.000 0.907 336 G HN 0.726 nan 8.290 nan 0.000 0.502 337 L N 2.108 123.342 121.223 0.018 0.000 2.275 337 L HA 0.076 4.415 4.340 -0.001 0.000 0.215 337 L C 2.418 179.206 176.870 -0.137 0.000 1.119 337 L CA 0.887 55.673 54.840 -0.089 0.000 0.790 337 L CB -0.322 41.710 42.059 -0.045 0.000 0.919 337 L HN 0.790 nan 8.230 nan 0.000 0.443 338 G N -0.216 108.581 108.800 -0.004 0.000 2.363 338 G HA2 0.315 4.275 3.960 -0.001 0.000 0.285 338 G HA3 0.315 4.275 3.960 -0.001 0.000 0.285 338 G C 1.108 175.906 174.900 -0.170 0.000 1.084 338 G CA 0.393 45.527 45.100 0.056 0.000 1.216 338 G HN 0.457 nan 8.290 nan 0.000 0.429 339 G N 2.218 110.785 108.800 -0.389 0.000 2.199 339 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.254 339 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.254 339 G C 0.646 174.896 174.900 -1.083 0.000 0.982 339 G CA 0.188 44.924 45.100 -0.606 0.000 0.632 339 G HN 0.914 nan 8.290 nan 0.000 0.529 340 N N 1.630 119.513 118.700 -1.361 0.000 2.470 340 N HA 0.259 4.999 4.740 -0.001 0.000 0.268 340 N C -0.313 174.809 175.510 -0.646 0.000 1.136 340 N CA -1.173 50.935 53.050 -1.570 0.000 0.961 340 N CB 1.685 39.561 38.487 -1.019 0.000 1.067 340 N HN 0.167 nan 8.380 nan 0.000 0.468 341 P HA -0.122 nan 4.420 nan 0.000 0.220 341 P C 1.335 178.658 177.300 0.039 0.000 1.148 341 P CA 0.930 63.983 63.100 -0.079 0.000 0.803 341 P CB 0.263 31.937 31.700 -0.044 0.000 0.782 342 M N -0.255 119.331 119.600 -0.023 0.000 2.358 342 M HA -0.044 4.435 4.480 -0.001 0.000 0.264 342 M C 2.220 178.509 176.300 -0.018 0.000 1.064 342 M CA 1.025 56.349 55.300 0.041 0.000 1.093 342 M CB -1.926 30.719 32.600 0.076 0.000 1.401 342 M HN -0.059 nan 8.290 nan 0.000 0.440 343 A N 0.025 122.792 122.820 -0.088 0.000 1.908 343 A HA -0.089 4.230 4.320 -0.001 0.000 0.218 343 A C 2.472 180.008 177.584 -0.079 0.000 1.181 343 A CA 1.820 53.800 52.037 -0.094 0.000 0.627 343 A CB -0.841 18.081 19.000 -0.130 0.000 0.818 343 A HN 0.304 nan 8.150 nan 0.000 0.445 344 V N -0.495 119.385 119.914 -0.057 0.000 2.270 344 V HA -0.205 3.914 4.120 -0.001 0.000 0.245 344 V C 2.570 178.586 176.094 -0.131 0.000 1.043 344 V CA 1.882 64.109 62.300 -0.121 0.000 1.014 344 V CB -0.859 30.912 31.823 -0.086 0.000 0.645 344 V HN 0.363 nan 8.190 nan 0.000 0.447 345 V N -0.130 119.757 119.914 -0.046 0.000 2.332 345 V HA -0.288 3.832 4.120 -0.001 0.000 0.248 345 V C 2.696 178.779 176.094 -0.019 0.000 1.055 345 V CA 2.392 64.683 62.300 -0.015 0.000 1.038 345 V CB -0.867 31.003 31.823 0.078 0.000 0.651 345 V HN 0.615 nan 8.190 nan 0.000 0.450 346 S N -0.441 115.247 115.700 -0.020 0.000 2.359 346 S HA -0.316 4.153 4.470 -0.001 0.000 0.224 346 S C 2.162 176.733 174.600 -0.050 0.000 1.035 346 S CA 2.250 60.432 58.200 -0.031 0.000 1.018 346 S CB -0.353 62.819 63.200 -0.046 0.000 0.876 346 S HN 0.617 nan 8.310 nan 0.000 0.448 347 K N 0.087 120.440 120.400 -0.078 0.000 2.209 347 K HA -0.105 4.215 4.320 -0.001 0.000 0.204 347 K C 2.275 178.818 176.600 -0.095 0.000 1.048 347 K CA 1.327 57.556 56.287 -0.096 0.000 0.940 347 K CB -0.100 32.317 32.500 -0.137 0.000 0.729 347 K HN 0.553 nan 8.250 nan 0.000 0.451 348 Q N -0.116 119.628 119.800 -0.093 0.000 2.033 348 Q HA -0.073 4.266 4.340 -0.001 0.000 0.196 348 Q C 1.902 177.879 176.000 -0.038 0.000 0.970 348 Q CA 1.475 57.234 55.803 -0.074 0.000 0.828 348 Q CB 0.118 28.814 28.738 -0.068 0.000 0.895 348 Q HN 0.298 nan 8.270 nan 0.000 0.440 349 V N -1.446 118.456 119.914 -0.020 0.000 3.630 349 V HA 0.102 4.222 4.120 -0.001 0.000 0.273 349 V C -0.160 175.931 176.094 -0.006 0.000 1.248 349 V CA 0.428 62.726 62.300 -0.004 0.000 1.170 349 V CB -1.264 30.572 31.823 0.021 0.000 0.899 349 V HN 0.466 nan 8.190 nan 0.000 0.457 350 N N 0.291 118.979 118.700 -0.019 0.000 2.735 350 N HA -0.241 4.499 4.740 -0.001 0.000 0.248 350 N C 0.178 175.682 175.510 -0.009 0.000 1.083 350 N CA 0.754 53.793 53.050 -0.018 0.000 0.703 350 N CB -0.947 37.531 38.487 -0.014 0.000 1.005 350 N HN 0.776 nan 8.380 nan 0.000 0.550 351 M N 1.479 121.073 119.600 -0.011 0.000 2.307 351 M HA 0.038 4.518 4.480 -0.001 0.000 0.346 351 M C 0.455 176.742 176.300 -0.020 0.000 1.552 351 M CA 0.343 55.636 55.300 -0.011 0.000 1.116 351 M CB 0.390 32.977 32.600 -0.022 0.000 1.889 351 M HN 0.081 nan 8.290 nan 0.000 0.460 352 E N 6.332 126.528 120.200 -0.006 0.000 2.104 352 E HA 0.256 4.606 4.350 -0.001 0.000 0.278 352 E C -1.453 175.142 176.600 -0.009 0.000 1.127 352 E CA -0.206 56.194 56.400 -0.000 0.000 0.897 352 E CB 0.489 30.201 29.700 0.020 0.000 1.043 352 E HN 0.763 nan 8.360 nan 0.000 0.410 353 L N 2.860 124.073 121.223 -0.018 0.000 2.332 353 L HA 0.833 5.172 4.340 -0.001 0.000 0.269 353 L C -0.304 176.568 176.870 0.003 0.000 1.016 353 L CA -0.995 53.832 54.840 -0.023 0.000 0.809 353 L CB 1.821 43.857 42.059 -0.039 0.000 1.280 353 L HN 0.595 nan 8.230 nan 0.000 0.447 354 A N 0.948 123.777 122.820 0.014 0.000 2.513 354 A HA 0.477 4.797 4.320 -0.001 0.000 0.296 354 A C -1.121 176.496 177.584 0.055 0.000 1.052 354 A CA -0.798 51.259 52.037 0.033 0.000 0.714 354 A CB 1.254 20.275 19.000 0.035 0.000 1.279 354 A HN 0.638 nan 8.150 nan 0.000 0.397 355 K N 0.513 120.950 120.400 0.061 0.000 2.276 355 K HA 0.336 4.655 4.320 -0.001 0.000 0.259 355 K C -0.817 175.839 176.600 0.093 0.000 1.001 355 K CA 0.053 56.389 56.287 0.083 0.000 0.927 355 K CB 0.401 32.942 32.500 0.069 0.000 0.969 355 K HN 0.465 nan 8.250 nan 0.000 0.490 356 I N 2.598 123.237 120.570 0.115 0.000 2.307 356 I HA 0.081 4.251 4.170 -0.001 0.000 0.289 356 I C -0.155 176.006 176.117 0.073 0.000 1.021 356 I CA -0.190 61.178 61.300 0.112 0.000 1.224 356 I CB 1.021 39.119 38.000 0.164 0.000 1.376 356 I HN 0.273 nan 8.210 nan 0.000 0.470 357 K N 6.402 126.837 120.400 0.059 0.000 2.382 357 K HA 0.041 4.361 4.320 -0.001 0.000 0.286 357 K C 0.866 177.488 176.600 0.036 0.000 1.062 357 K CA 0.009 56.325 56.287 0.048 0.000 1.000 357 K CB 0.293 32.823 32.500 0.051 0.000 0.954 357 K HN 0.543 nan 8.250 nan 0.000 0.470 358 Q N 1.856 121.678 119.800 0.036 0.000 2.376 358 Q HA -0.193 4.147 4.340 -0.001 0.000 0.211 358 Q C 0.373 176.393 176.000 0.033 0.000 0.986 358 Q CA 1.050 56.874 55.803 0.035 0.000 0.886 358 Q CB -0.111 28.649 28.738 0.037 0.000 0.927 358 Q HN 0.400 nan 8.270 nan 0.000 0.457 359 K N 1.323 121.743 120.400 0.033 0.000 2.361 359 K HA 0.003 4.322 4.320 -0.001 0.000 0.283 359 K C -1.367 175.255 176.600 0.036 0.000 1.078 359 K CA 0.024 56.330 56.287 0.033 0.000 1.041 359 K CB 0.143 32.667 32.500 0.041 0.000 0.932 359 K HN 0.114 nan 8.250 nan 0.000 0.462 360 C N 8.795 128.109 119.300 0.023 0.000 2.534 360 C HA 0.470 4.929 4.460 -0.001 0.000 0.309 360 C C -2.552 172.422 174.990 -0.027 0.000 1.072 360 C CA -2.079 56.953 59.018 0.022 0.000 1.441 360 C CB 0.439 28.191 27.740 0.021 0.000 1.906 360 C HN 0.715 nan 8.230 nan 0.000 0.429 361 P HA 0.356 nan 4.420 nan 0.000 0.281 361 P C -1.082 176.138 177.300 -0.134 0.000 1.252 361 P CA -0.120 62.927 63.100 -0.090 0.000 0.778 361 P CB 1.185 32.875 31.700 -0.018 0.000 0.895 362 L N 4.698 125.677 121.223 -0.406 0.000 2.309 362 L HA 0.394 4.734 4.340 -0.001 0.000 0.282 362 L C -0.153 176.428 176.870 -0.481 0.000 1.036 362 L CA -0.444 54.134 54.840 -0.437 0.000 0.806 362 L CB 0.492 42.139 42.059 -0.687 0.000 1.220 362 L HN 0.299 nan 8.230 nan 0.000 0.429 363 Y N 0.949 121.159 120.300 -0.151 0.000 2.376 363 Y HA 0.441 4.990 4.550 -0.001 0.000 0.340 363 Y C 0.602 176.480 175.900 -0.036 0.000 0.965 363 Y CA -0.959 57.089 58.100 -0.086 0.000 1.078 363 Y CB 1.196 39.614 38.460 -0.070 0.000 1.193 363 Y HN 0.598 nan 8.280 nan 0.000 0.452 364 E N 1.122 121.356 120.200 0.055 0.000 2.766 364 E HA 0.183 4.533 4.350 -0.001 0.000 0.261 364 E C 0.946 177.623 176.600 0.128 0.000 1.427 364 E CA 0.314 56.735 56.400 0.034 0.000 1.085 364 E CB 0.483 30.182 29.700 -0.002 0.000 1.074 364 E HN 0.806 nan 8.360 nan 0.000 0.651 365 A N 1.295 124.172 122.820 0.095 0.000 1.865 365 A HA -0.280 4.040 4.320 -0.001 0.000 0.217 365 A C 1.825 179.502 177.584 0.155 0.000 1.191 365 A CA 2.459 54.596 52.037 0.167 0.000 0.623 365 A CB -1.206 17.855 19.000 0.103 0.000 0.826 365 A HN 0.723 nan 8.150 nan 0.000 0.444 366 N N -1.231 117.522 118.700 0.089 0.000 2.166 366 N HA 0.193 4.932 4.740 -0.001 0.000 0.186 366 N C 1.168 176.711 175.510 0.054 0.000 1.019 366 N CA 2.253 55.339 53.050 0.060 0.000 0.856 366 N CB -0.472 38.037 38.487 0.035 0.000 0.993 366 N HN 0.942 nan 8.380 nan 0.000 0.426 367 G N -1.591 107.255 108.800 0.076 0.000 2.370 367 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.174 367 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.174 367 G C -0.644 174.320 174.900 0.107 0.000 1.002 367 G CA -0.022 45.117 45.100 0.065 0.000 0.730 367 G HN 0.676 nan 8.290 nan 0.000 0.497 368 Q N 0.865 120.706 119.800 0.069 0.000 2.256 368 Q HA 0.792 5.132 4.340 -0.001 0.000 0.254 368 Q C 0.520 176.486 176.000 -0.056 0.000 0.916 368 Q CA -0.134 55.685 55.803 0.028 0.000 0.932 368 Q CB 1.879 30.610 28.738 -0.011 0.000 1.207 368 Q HN 0.870 nan 8.270 nan 0.000 0.426 369 A N 2.849 125.551 122.820 -0.196 0.000 2.504 369 A HA 0.246 4.566 4.320 -0.001 0.000 0.242 369 A C -0.087 177.300 177.584 -0.328 0.000 1.100 369 A CA -0.353 51.363 52.037 -0.536 0.000 0.786 369 A CB 0.332 18.978 19.000 -0.589 0.000 1.050 369 A HN 0.631 nan 8.150 nan 0.000 0.512 370 V N 2.671 122.364 119.914 -0.369 0.000 2.370 370 V HA 0.303 4.423 4.120 -0.001 0.000 0.283 370 V C -2.124 173.849 176.094 -0.202 0.000 1.023 370 V CA -1.259 60.895 62.300 -0.242 0.000 0.857 370 V CB 0.991 32.665 31.823 -0.249 0.000 0.985 370 V HN 0.802 nan 8.190 nan 0.000 0.443 371 P HA 0.004 nan 4.420 nan 0.000 0.264 371 P C 0.946 178.185 177.300 -0.101 0.000 1.183 371 P CA 0.075 63.109 63.100 -0.110 0.000 0.763 371 P CB 0.547 32.198 31.700 -0.082 0.000 0.807 372 K N 3.278 123.625 120.400 -0.089 0.000 2.144 372 K HA -0.281 4.039 4.320 -0.001 0.000 0.209 372 K C 1.261 177.827 176.600 -0.056 0.000 1.047 372 K CA 1.821 58.066 56.287 -0.071 0.000 0.927 372 K CB 0.008 32.475 32.500 -0.054 0.000 0.716 372 K HN 0.464 nan 8.250 nan 0.000 0.454 373 E N 0.428 120.597 120.200 -0.052 0.000 2.013 373 E HA -0.219 4.130 4.350 -0.001 0.000 0.202 373 E C 2.163 178.736 176.600 -0.045 0.000 1.018 373 E CA 1.682 58.056 56.400 -0.043 0.000 0.834 373 E CB -0.063 29.613 29.700 -0.041 0.000 0.770 373 E HN 0.293 nan 8.360 nan 0.000 0.459 374 K N 0.620 120.987 120.400 -0.054 0.000 2.057 374 K HA -0.182 4.138 4.320 -0.001 0.000 0.207 374 K C 2.056 178.628 176.600 -0.046 0.000 1.049 374 K CA 1.204 57.459 56.287 -0.053 0.000 0.931 374 K CB -0.205 32.257 32.500 -0.063 0.000 0.714 374 K HN 0.150 nan 8.250 nan 0.000 0.440 375 D N 1.202 121.564 120.400 -0.063 0.000 2.172 375 D HA -0.212 4.428 4.640 -0.001 0.000 0.196 375 D C 1.301 177.599 176.300 -0.003 0.000 0.999 375 D CA 1.493 55.461 54.000 -0.055 0.000 0.856 375 D CB 0.254 40.995 40.800 -0.098 0.000 0.934 375 D HN 0.362 nan 8.370 nan 0.000 0.453 376 E N -0.827 119.363 120.200 -0.017 0.000 2.251 376 E HA -0.029 4.321 4.350 -0.001 0.000 0.194 376 E C 2.082 178.672 176.600 -0.017 0.000 0.964 376 E CA -0.221 56.174 56.400 -0.009 0.000 0.868 376 E CB 0.002 29.695 29.700 -0.011 0.000 0.828 376 E HN 0.202 nan 8.360 nan 0.000 0.481 377 M N 1.478 121.063 119.600 -0.025 0.000 2.080 377 M HA -0.143 4.336 4.480 -0.001 0.000 0.260 377 M C 2.146 178.424 176.300 -0.037 0.000 1.068 377 M CA 1.540 56.821 55.300 -0.032 0.000 1.109 377 M CB -0.218 32.357 32.600 -0.042 0.000 1.342 377 M HN 0.004 nan 8.290 nan 0.000 0.405 378 V N 0.384 120.279 119.914 -0.031 0.000 2.307 378 V HA -0.245 3.875 4.120 -0.001 0.000 0.245 378 V C 2.330 178.384 176.094 -0.068 0.000 1.045 378 V CA 2.156 64.439 62.300 -0.027 0.000 1.024 378 V CB -0.978 30.861 31.823 0.026 0.000 0.651 378 V HN 0.546 nan 8.190 nan 0.000 0.449 379 E N -0.125 120.002 120.200 -0.122 0.000 2.160 379 E HA -0.323 4.027 4.350 -0.001 0.000 0.195 379 E C 2.264 178.813 176.600 -0.085 0.000 0.991 379 E CA 1.644 57.851 56.400 -0.323 0.000 0.810 379 E CB -0.067 29.520 29.700 -0.188 0.000 0.742 379 E HN 0.698 nan 8.360 nan 0.000 0.466 380 Q N 0.000 119.779 119.800 -0.035 0.000 2.046 380 Q HA -0.198 4.142 4.340 -0.001 0.000 0.200 380 Q C 1.942 177.947 176.000 0.008 0.000 0.975 380 Q CA 1.321 57.121 55.803 -0.006 0.000 0.836 380 Q CB 0.115 28.849 28.738 -0.006 0.000 0.896 380 Q HN 0.207 nan 8.270 nan 0.000 0.428 381 E N 0.226 120.435 120.200 0.015 0.000 2.077 381 E HA -0.183 4.167 4.350 -0.001 0.000 0.193 381 E C 1.699 178.345 176.600 0.075 0.000 0.989 381 E CA 0.788 57.222 56.400 0.057 0.000 0.800 381 E CB -0.486 29.245 29.700 0.052 0.000 0.746 381 E HN 0.378 nan 8.360 nan 0.000 0.452 382 F N 3.093 122.966 119.950 -0.129 0.000 2.087 382 F HA -0.260 4.266 4.527 -0.001 0.000 0.299 382 F C 1.744 177.512 175.800 -0.053 0.000 1.100 382 F CA 1.631 59.524 58.000 -0.178 0.000 1.226 382 F CB -0.383 38.375 39.000 -0.404 0.000 0.983 382 F HN -0.005 nan 8.300 nan 0.000 0.479 383 N N 0.546 119.137 118.700 -0.182 0.000 2.188 383 N HA -0.137 4.602 4.740 -0.001 0.000 0.184 383 N C 1.977 177.411 175.510 -0.127 0.000 1.018 383 N CA 1.364 54.288 53.050 -0.209 0.000 0.858 383 N CB -0.440 38.013 38.487 -0.055 0.000 0.989 383 N HN 0.427 nan 8.380 nan 0.000 0.426 384 R N 0.395 120.864 120.500 -0.053 0.000 2.073 384 R HA -0.021 4.318 4.340 -0.001 0.000 0.234 384 R C 2.060 178.357 176.300 -0.004 0.000 1.134 384 R CA 0.841 56.932 56.100 -0.014 0.000 0.952 384 R CB -0.404 29.909 30.300 0.023 0.000 0.850 384 R HN 0.078 nan 8.270 nan 0.000 0.433 385 L N 0.786 122.020 121.223 0.018 0.000 2.046 385 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 385 L C 2.307 179.190 176.870 0.022 0.000 1.077 385 L CA 1.583 56.459 54.840 0.059 0.000 0.747 385 L CB -0.645 41.517 42.059 0.172 0.000 0.896 385 L HN 0.166 nan 8.230 nan 0.000 0.432 386 L N -1.057 120.121 121.223 -0.074 0.000 2.017 386 L HA -0.199 4.141 4.340 -0.001 0.000 0.208 386 L C 2.706 179.606 176.870 0.050 0.000 1.073 386 L CA 1.207 56.022 54.840 -0.042 0.000 0.745 386 L CB -0.536 41.415 42.059 -0.180 0.000 0.894 386 L HN 0.357 nan 8.230 nan 0.000 0.432 387 E N 0.524 120.736 120.200 0.020 0.000 2.070 387 E HA -0.276 4.074 4.350 -0.001 0.000 0.197 387 E C 2.108 178.764 176.600 0.093 0.000 1.004 387 E CA 1.622 58.057 56.400 0.057 0.000 0.805 387 E CB 0.019 29.728 29.700 0.015 0.000 0.744 387 E HN 0.448 nan 8.360 nan 0.000 0.451 388 A N 0.643 123.500 122.820 0.063 0.000 1.859 388 A HA -0.252 4.067 4.320 -0.001 0.000 0.217 388 A C 2.504 180.173 177.584 0.141 0.000 1.198 388 A CA 3.453 55.542 52.037 0.088 0.000 0.629 388 A CB -1.504 17.521 19.000 0.042 0.000 0.830 388 A HN 0.537 nan 8.150 nan 0.000 0.446 389 T N -2.761 111.859 114.554 0.109 0.000 2.759 389 T HA -0.192 4.157 4.350 -0.001 0.000 0.269 389 T C 2.041 176.800 174.700 0.098 0.000 1.042 389 T CA 2.137 64.303 62.100 0.110 0.000 1.140 389 T CB -0.774 68.150 68.868 0.094 0.000 0.864 389 T HN 0.419 nan 8.240 nan 0.000 0.455 390 S N -0.066 115.720 115.700 0.143 0.000 2.382 390 S HA -0.115 4.355 4.470 -0.001 0.000 0.228 390 S C 1.773 176.448 174.600 0.124 0.000 1.027 390 S CA 0.932 59.223 58.200 0.151 0.000 0.991 390 S CB -0.730 62.623 63.200 0.255 0.000 0.823 390 S HN 0.653 nan 8.310 nan 0.000 0.469 391 Y N 1.815 122.137 120.300 0.036 0.000 2.089 391 Y HA -0.067 4.483 4.550 -0.001 0.000 0.282 391 Y C 1.840 177.742 175.900 0.005 0.000 1.139 391 Y CA 1.670 59.786 58.100 0.026 0.000 1.123 391 Y CB -0.830 37.637 38.460 0.011 0.000 0.980 391 Y HN 0.227 nan 8.280 nan 0.000 0.493 392 L N -0.270 120.948 121.223 -0.008 0.000 2.043 392 L HA -0.248 4.091 4.340 -0.001 0.000 0.212 392 L C 2.888 179.720 176.870 -0.063 0.000 1.075 392 L CA 2.224 57.024 54.840 -0.066 0.000 0.752 392 L CB -1.586 40.527 42.059 0.090 0.000 0.891 392 L HN 0.337 nan 8.230 nan 0.000 0.432 393 S N -1.374 114.248 115.700 -0.129 0.000 2.335 393 S HA -0.133 4.336 4.470 -0.001 0.000 0.217 393 S C 1.783 176.184 174.600 -0.333 0.000 1.032 393 S CA 0.796 58.819 58.200 -0.295 0.000 0.985 393 S CB -0.247 62.625 63.200 -0.547 0.000 0.896 393 S HN 0.557 nan 8.310 nan 0.000 0.445 394 H N -0.270 118.780 119.070 -0.033 0.000 2.526 394 H HA 0.344 4.899 4.556 -0.001 0.000 0.274 394 H C 1.472 176.750 175.328 -0.083 0.000 0.999 394 H CA 0.420 56.439 56.048 -0.048 0.000 1.157 394 H CB 0.428 30.175 29.762 -0.025 0.000 1.407 394 H HN 0.436 nan 8.280 nan 0.000 0.568 395 Q N 0.207 119.935 119.800 -0.121 0.000 2.577 395 Q HA 0.210 4.549 4.340 -0.001 0.000 0.242 395 Q C 1.264 177.107 176.000 -0.262 0.000 0.818 395 Q CA 0.244 55.909 55.803 -0.230 0.000 0.962 395 Q CB 0.490 28.924 28.738 -0.507 0.000 1.272 395 Q HN 0.267 nan 8.270 nan 0.000 0.593 396 L N 0.818 121.850 121.223 -0.319 0.000 2.640 396 L HA 0.309 4.649 4.340 -0.001 0.000 0.230 396 L C -0.288 176.540 176.870 -0.069 0.000 1.123 396 L CA 0.288 55.008 54.840 -0.200 0.000 0.900 396 L CB 0.130 42.045 42.059 -0.240 0.000 1.146 396 L HN 0.299 nan 8.230 nan 0.000 0.484 397 D N 0.921 121.287 120.400 -0.057 0.000 2.735 397 D HA -0.306 4.334 4.640 -0.001 0.000 0.235 397 D C -0.143 176.195 176.300 0.063 0.000 1.175 397 D CA 0.323 54.317 54.000 -0.010 0.000 0.683 397 D CB -1.002 39.795 40.800 -0.005 0.000 1.008 397 D HN 0.233 nan 8.370 nan 0.000 0.416 398 F N 1.653 121.537 119.950 -0.110 0.000 2.753 398 F HA 0.427 4.954 4.527 -0.000 0.000 0.314 398 F C 0.610 176.363 175.800 -0.078 0.000 1.215 398 F CA -0.774 57.176 58.000 -0.083 0.000 1.243 398 F CB -0.200 38.750 39.000 -0.083 0.000 1.400 398 F HN 0.087 nan 8.300 nan 0.000 0.548 399 N N 0.767 119.332 118.700 -0.226 0.000 2.254 399 N HA 0.123 4.863 4.740 -0.001 0.000 0.190 399 N C -0.527 174.824 175.510 -0.265 0.000 1.107 399 N CA 0.387 53.280 53.050 -0.262 0.000 0.869 399 N CB 1.450 39.847 38.487 -0.150 0.000 0.983 399 N HN 0.145 nan 8.380 nan 0.000 0.487 400 V N 1.822 121.584 119.914 -0.255 0.000 2.638 400 V HA 0.486 4.606 4.120 -0.001 0.000 0.306 400 V C -1.046 174.938 176.094 -0.183 0.000 1.052 400 V CA -0.877 61.316 62.300 -0.178 0.000 0.885 400 V CB 2.589 34.365 31.823 -0.078 0.000 0.999 400 V HN -0.069 nan 8.190 nan 0.000 0.424 401 L N 4.569 125.699 121.223 -0.156 0.000 2.505 401 L HA 0.641 4.980 4.340 -0.001 0.000 0.266 401 L C -0.068 176.779 176.870 -0.040 0.000 0.954 401 L CA 0.110 54.901 54.840 -0.080 0.000 0.852 401 L CB 1.693 43.685 42.059 -0.112 0.000 1.282 401 L HN 0.675 nan 8.230 nan 0.000 0.403 402 N N 3.854 122.550 118.700 -0.007 0.000 2.725 402 N HA -0.234 4.506 4.740 -0.001 0.000 0.249 402 N C 0.263 175.766 175.510 -0.011 0.000 1.103 402 N CA 1.077 54.125 53.050 -0.003 0.000 0.707 402 N CB -1.182 37.304 38.487 -0.002 0.000 1.043 402 N HN 0.782 nan 8.380 nan 0.000 0.553 403 N N -2.948 115.743 118.700 -0.015 0.000 2.929 403 N HA -0.218 4.521 4.740 -0.001 0.000 0.234 403 N C -0.630 174.867 175.510 -0.021 0.000 0.908 403 N CA 1.687 54.728 53.050 -0.015 0.000 0.993 403 N CB -0.630 37.853 38.487 -0.007 0.000 1.075 403 N HN 0.603 nan 8.380 nan 0.000 0.603 404 K N 1.013 121.394 120.400 -0.031 0.000 2.138 404 K HA 0.469 4.788 4.320 -0.001 0.000 0.263 404 K C -2.511 174.055 176.600 -0.057 0.000 0.965 404 K CA -1.622 54.645 56.287 -0.033 0.000 0.868 404 K CB 1.255 33.738 32.500 -0.029 0.000 1.083 404 K HN -0.157 nan 8.250 nan 0.000 0.443 405 P HA -0.019 nan 4.420 nan 0.000 0.269 405 P C -0.761 176.481 177.300 -0.097 0.000 1.209 405 P CA -0.275 62.790 63.100 -0.059 0.000 0.776 405 P CB 0.522 32.216 31.700 -0.009 0.000 0.876 406 V N 2.699 122.515 119.914 -0.162 0.000 2.509 406 V HA 0.266 4.385 4.120 -0.001 0.000 0.284 406 V C 0.616 176.637 176.094 -0.122 0.000 1.047 406 V CA -0.144 62.030 62.300 -0.209 0.000 0.952 406 V CB 1.067 32.632 31.823 -0.430 0.000 0.988 406 V HN 0.662 nan 8.190 nan 0.000 0.469 407 S N 4.283 119.925 115.700 -0.096 0.000 2.617 407 S HA 0.442 4.912 4.470 -0.001 0.000 0.283 407 S C 0.702 175.240 174.600 -0.103 0.000 1.189 407 S CA -0.656 57.501 58.200 -0.071 0.000 1.036 407 S CB 1.643 64.803 63.200 -0.065 0.000 1.014 407 S HN 0.552 nan 8.310 nan 0.000 0.522 408 L N 2.831 123.967 121.223 -0.145 0.000 2.013 408 L HA 0.074 4.414 4.340 -0.001 0.000 0.212 408 L C 2.332 179.077 176.870 -0.210 0.000 1.073 408 L CA 2.636 57.337 54.840 -0.232 0.000 0.753 408 L CB -1.515 40.219 42.059 -0.541 0.000 0.890 408 L HN 0.984 nan 8.230 nan 0.000 0.432 409 G N -1.560 107.105 108.800 -0.226 0.000 2.440 409 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.218 409 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.218 409 G C 1.494 176.295 174.900 -0.165 0.000 1.154 409 G CA 0.805 45.764 45.100 -0.235 0.000 0.767 409 G HN 0.574 nan 8.290 nan 0.000 0.552 410 Q N 0.162 119.894 119.800 -0.114 0.000 2.077 410 Q HA -0.120 4.219 4.340 -0.001 0.000 0.206 410 Q C 2.836 178.824 176.000 -0.019 0.000 0.989 410 Q CA 1.855 57.619 55.803 -0.065 0.000 0.853 410 Q CB -0.351 28.349 28.738 -0.063 0.000 0.907 410 Q HN 0.416 nan 8.270 nan 0.000 0.418 411 A N 0.703 123.518 122.820 -0.008 0.000 1.877 411 A HA -0.178 4.142 4.320 -0.001 0.000 0.216 411 A C 2.091 179.694 177.584 0.032 0.000 1.186 411 A CA 1.391 53.475 52.037 0.080 0.000 0.620 411 A CB -0.840 18.208 19.000 0.080 0.000 0.822 411 A HN 0.464 nan 8.150 nan 0.000 0.443 412 L N -0.380 120.820 121.223 -0.038 0.000 2.013 412 L HA -0.231 4.109 4.340 -0.001 0.000 0.212 412 L C 2.657 179.501 176.870 -0.044 0.000 1.073 412 L CA 1.534 56.345 54.840 -0.049 0.000 0.753 412 L CB -0.682 41.270 42.059 -0.178 0.000 0.890 412 L HN 0.364 nan 8.230 nan 0.000 0.432 413 E N -0.185 119.969 120.200 -0.076 0.000 2.160 413 E HA -0.169 4.181 4.350 -0.001 0.000 0.195 413 E C 2.323 178.913 176.600 -0.016 0.000 0.991 413 E CA 1.153 57.523 56.400 -0.050 0.000 0.810 413 E CB -0.465 29.201 29.700 -0.057 0.000 0.742 413 E HN 0.367 nan 8.360 nan 0.000 0.466 414 V N 0.892 120.807 119.914 0.002 0.000 2.323 414 V HA -0.177 3.942 4.120 -0.001 0.000 0.244 414 V C 2.578 178.655 176.094 -0.027 0.000 1.041 414 V CA 1.175 63.477 62.300 0.003 0.000 1.025 414 V CB -0.542 31.310 31.823 0.049 0.000 0.656 414 V HN 0.052 nan 8.190 nan 0.000 0.451 415 V N 0.193 120.097 119.914 -0.016 0.000 2.332 415 V HA -0.265 3.854 4.120 -0.001 0.000 0.248 415 V C 2.188 178.231 176.094 -0.085 0.000 1.055 415 V CA 2.187 64.464 62.300 -0.038 0.000 1.038 415 V CB -0.571 31.253 31.823 0.003 0.000 0.651 415 V HN 0.458 nan 8.190 nan 0.000 0.450 416 I N -0.366 120.172 120.570 -0.052 0.000 2.439 416 I HA -0.252 3.917 4.170 -0.001 0.000 0.251 416 I C 2.565 178.598 176.117 -0.141 0.000 1.139 416 I CA 1.456 62.696 61.300 -0.099 0.000 1.438 416 I CB -0.351 37.689 38.000 0.067 0.000 1.085 416 I HN 0.356 nan 8.210 nan 0.000 0.427 417 Q N 1.047 120.803 119.800 -0.073 0.000 2.364 417 Q HA -0.126 4.213 4.340 -0.001 0.000 0.207 417 Q C 2.142 178.094 176.000 -0.079 0.000 0.970 417 Q CA 1.023 56.792 55.803 -0.056 0.000 0.888 417 Q CB 0.201 28.921 28.738 -0.029 0.000 0.951 417 Q HN 0.561 nan 8.270 nan 0.000 0.469 418 L N -0.494 120.663 121.223 -0.111 0.000 2.168 418 L HA -0.063 4.277 4.340 -0.001 0.000 0.203 418 L C 2.445 179.235 176.870 -0.134 0.000 1.078 418 L CA 0.309 55.087 54.840 -0.104 0.000 0.780 418 L CB -0.335 41.661 42.059 -0.104 0.000 0.939 418 L HN 0.173 nan 8.230 nan 0.000 0.451 419 Q N 0.595 120.230 119.800 -0.275 0.000 2.124 419 Q HA -0.212 4.128 4.340 -0.001 0.000 0.202 419 Q C 1.972 177.813 176.000 -0.266 0.000 0.977 419 Q CA 1.482 57.040 55.803 -0.408 0.000 0.850 419 Q CB -0.094 27.963 28.738 -1.135 0.000 0.901 419 Q HN 0.576 nan 8.270 nan 0.000 0.429 420 E N 0.390 120.451 120.200 -0.231 0.000 2.110 420 E HA -0.202 4.148 4.350 -0.001 0.000 0.193 420 E C 1.946 178.531 176.600 -0.025 0.000 0.988 420 E CA 1.077 57.445 56.400 -0.053 0.000 0.804 420 E CB 0.017 29.709 29.700 -0.013 0.000 0.745 420 E HN 0.043 nan 8.360 nan 0.000 0.458 421 K N 0.837 121.218 120.400 -0.032 0.000 1.985 421 K HA -0.231 4.088 4.320 -0.001 0.000 0.210 421 K C 2.068 178.667 176.600 -0.001 0.000 1.047 421 K CA 1.969 58.248 56.287 -0.013 0.000 0.932 421 K CB -0.636 31.857 32.500 -0.011 0.000 0.716 421 K HN 0.111 nan 8.250 nan 0.000 0.439 422 H N -0.120 118.905 119.070 -0.075 0.000 2.321 422 H HA -0.112 4.443 4.556 -0.001 0.000 0.295 422 H C 1.718 177.012 175.328 -0.057 0.000 1.102 422 H CA 2.379 58.389 56.048 -0.064 0.000 1.266 422 H CB -0.394 29.326 29.762 -0.069 0.000 1.363 422 H HN 0.057 nan 8.280 nan 0.000 0.492 423 V N 0.792 120.644 119.914 -0.103 0.000 2.287 423 V HA -0.282 3.838 4.120 -0.001 0.000 0.248 423 V C 2.575 178.548 176.094 -0.201 0.000 1.053 423 V CA 2.350 64.563 62.300 -0.145 0.000 1.027 423 V CB -0.617 31.209 31.823 0.004 0.000 0.646 423 V HN 0.474 nan 8.190 nan 0.000 0.447 424 K N -0.364 119.952 120.400 -0.141 0.000 2.148 424 K HA -0.207 4.112 4.320 -0.001 0.000 0.204 424 K C 1.826 178.312 176.600 -0.191 0.000 1.050 424 K CA 1.593 57.785 56.287 -0.158 0.000 0.942 424 K CB -0.210 32.248 32.500 -0.070 0.000 0.724 424 K HN 0.491 nan 8.250 nan 0.000 0.446 425 D N 1.029 121.324 120.400 -0.176 0.000 2.117 425 D HA -0.155 4.484 4.640 -0.001 0.000 0.197 425 D C 1.615 177.792 176.300 -0.204 0.000 0.987 425 D CA 1.282 55.188 54.000 -0.156 0.000 0.829 425 D CB 0.067 40.795 40.800 -0.120 0.000 0.961 425 D HN 0.418 nan 8.370 nan 0.000 0.460 426 E N 0.473 120.491 120.200 -0.303 0.000 2.152 426 E HA -0.143 4.206 4.350 -0.001 0.000 0.192 426 E C 2.078 178.517 176.600 -0.268 0.000 0.983 426 E CA 0.263 56.507 56.400 -0.260 0.000 0.818 426 E CB -0.030 29.487 29.700 -0.306 0.000 0.758 426 E HN 0.292 nan 8.360 nan 0.000 0.467 427 Q N 0.563 120.127 119.800 -0.393 0.000 2.170 427 Q HA -0.172 4.167 4.340 -0.001 0.000 0.203 427 Q C 2.012 177.539 176.000 -0.787 0.000 0.976 427 Q CA 0.925 56.313 55.803 -0.691 0.000 0.858 427 Q CB 0.216 28.478 28.738 -0.794 0.000 0.907 427 Q HN 0.198 nan 8.270 nan 0.000 0.433 428 I N 1.058 121.397 120.570 -0.385 0.000 2.162 428 I HA -0.206 3.963 4.170 -0.001 0.000 0.238 428 I C 2.054 178.170 176.117 -0.003 0.000 1.076 428 I CA 1.431 62.671 61.300 -0.099 0.000 1.353 428 I CB -1.337 36.656 38.000 -0.012 0.000 1.063 428 I HN 0.304 nan 8.210 nan 0.000 0.408 429 E N -0.254 119.923 120.200 -0.039 0.000 2.147 429 E HA -0.294 4.055 4.350 -0.001 0.000 0.199 429 E C 2.194 178.803 176.600 0.016 0.000 1.005 429 E CA 1.298 57.694 56.400 -0.006 0.000 0.810 429 E CB -0.336 29.348 29.700 -0.027 0.000 0.736 429 E HN 0.521 nan 8.360 nan 0.000 0.460 430 H N -0.397 118.612 119.070 -0.103 0.000 2.363 430 H HA -0.117 4.439 4.556 -0.001 0.000 0.301 430 H C 1.638 177.012 175.328 0.078 0.000 1.074 430 H CA 1.211 57.219 56.048 -0.067 0.000 1.354 430 H CB -0.006 29.653 29.762 -0.171 0.000 1.397 430 H HN 0.286 nan 8.280 nan 0.000 0.516 431 W N 1.715 123.102 121.300 0.145 0.000 2.425 431 W HA -0.036 4.624 4.660 -0.001 0.000 0.277 431 W C 2.366 178.895 176.519 0.016 0.000 1.231 431 W CA 0.364 57.760 57.345 0.085 0.000 1.248 431 W CB -0.270 29.228 29.460 0.063 0.000 1.117 431 W HN 0.254 nan 8.180 nan 0.000 0.568 432 K N 0.349 120.877 120.400 0.213 0.000 2.062 432 K HA -0.111 4.209 4.320 -0.001 0.000 0.205 432 K C 1.973 178.599 176.600 0.044 0.000 1.051 432 K CA 1.112 57.463 56.287 0.106 0.000 0.941 432 K CB -0.199 32.343 32.500 0.071 0.000 0.719 432 K HN 0.024 nan 8.250 nan 0.000 0.440 433 K N 0.695 121.092 120.400 -0.005 0.000 2.032 433 K HA -0.124 4.196 4.320 -0.001 0.000 0.209 433 K C 2.098 178.669 176.600 -0.048 0.000 1.048 433 K CA 1.128 57.377 56.287 -0.062 0.000 0.927 433 K CB -0.138 32.265 32.500 -0.162 0.000 0.712 433 K HN 0.044 nan 8.250 nan 0.000 0.441 434 I N 1.056 121.610 120.570 -0.028 0.000 2.058 434 I HA -0.259 3.911 4.170 -0.001 0.000 0.235 434 I C 2.420 178.549 176.117 0.019 0.000 1.053 434 I CA 1.364 62.672 61.300 0.014 0.000 1.313 434 I CB -1.263 36.801 38.000 0.107 0.000 1.039 434 I HN -0.067 nan 8.210 nan 0.000 0.396 435 V N 1.182 121.119 119.914 0.038 0.000 2.370 435 V HA -0.319 3.801 4.120 -0.001 0.000 0.252 435 V C 2.596 178.694 176.094 0.006 0.000 1.068 435 V CA 2.154 64.464 62.300 0.017 0.000 1.061 435 V CB -0.914 30.923 31.823 0.024 0.000 0.656 435 V HN 0.367 nan 8.190 nan 0.000 0.455 436 K N 0.455 120.858 120.400 0.005 0.000 2.001 436 K HA -0.138 4.182 4.320 -0.001 0.000 0.208 436 K C 2.190 178.784 176.600 -0.010 0.000 1.048 436 K CA 2.232 58.517 56.287 -0.004 0.000 0.932 436 K CB -1.014 31.482 32.500 -0.007 0.000 0.715 436 K HN 0.454 nan 8.250 nan 0.000 0.437 437 T N 1.330 115.875 114.554 -0.015 0.000 2.759 437 T HA -0.163 4.187 4.350 -0.001 0.000 0.269 437 T C 1.738 176.430 174.700 -0.013 0.000 1.042 437 T CA 1.691 63.781 62.100 -0.017 0.000 1.140 437 T CB -0.205 68.650 68.868 -0.021 0.000 0.864 437 T HN 0.387 nan 8.240 nan 0.000 0.455 438 Q N 0.542 120.337 119.800 -0.009 0.000 2.124 438 Q HA -0.112 4.228 4.340 -0.001 0.000 0.202 438 Q C 2.379 178.372 176.000 -0.012 0.000 0.977 438 Q CA 1.208 57.006 55.803 -0.010 0.000 0.850 438 Q CB -0.147 28.587 28.738 -0.008 0.000 0.901 438 Q HN 0.637 nan 8.270 nan 0.000 0.429 439 E N 1.076 121.270 120.200 -0.011 0.000 2.047 439 E HA -0.181 4.169 4.350 -0.001 0.000 0.191 439 E C 1.872 178.463 176.600 -0.015 0.000 0.987 439 E CA 0.959 57.352 56.400 -0.012 0.000 0.799 439 E CB 0.015 29.709 29.700 -0.010 0.000 0.752 439 E HN 0.396 nan 8.360 nan 0.000 0.449 440 E N 0.686 120.877 120.200 -0.016 0.000 2.153 440 E HA -0.172 4.178 4.350 -0.001 0.000 0.194 440 E C 2.163 178.749 176.600 -0.024 0.000 0.988 440 E CA 0.621 57.009 56.400 -0.020 0.000 0.811 440 E CB -0.025 29.663 29.700 -0.020 0.000 0.746 440 E HN 0.261 nan 8.360 nan 0.000 0.466 441 L N 0.969 122.179 121.223 -0.023 0.000 1.993 441 L HA -0.144 4.196 4.340 -0.001 0.000 0.206 441 L C 2.685 179.538 176.870 -0.027 0.000 1.074 441 L CA 1.069 55.893 54.840 -0.026 0.000 0.746 441 L CB -0.445 41.602 42.059 -0.021 0.000 0.896 441 L HN 0.016 nan 8.230 nan 0.000 0.435 442 K N 0.444 120.831 120.400 -0.022 0.000 2.127 442 K HA -0.261 4.059 4.320 -0.001 0.000 0.208 442 K C 1.829 178.415 176.600 -0.023 0.000 1.047 442 K CA 1.917 58.191 56.287 -0.020 0.000 0.927 442 K CB 0.002 32.492 32.500 -0.016 0.000 0.716 442 K HN 0.422 nan 8.250 nan 0.000 0.450 443 E N 0.471 120.657 120.200 -0.024 0.000 2.046 443 E HA -0.154 4.196 4.350 -0.001 0.000 0.190 443 E C 2.028 178.607 176.600 -0.034 0.000 0.982 443 E CA 0.554 56.939 56.400 -0.025 0.000 0.800 443 E CB -0.094 29.593 29.700 -0.022 0.000 0.756 443 E HN 0.201 nan 8.360 nan 0.000 0.449 444 L N 1.037 122.236 121.223 -0.041 0.000 2.017 444 L HA -0.176 4.164 4.340 -0.001 0.000 0.208 444 L C 2.159 178.985 176.870 -0.074 0.000 1.073 444 L CA 1.516 56.322 54.840 -0.058 0.000 0.745 444 L CB -0.536 41.487 42.059 -0.060 0.000 0.894 444 L HN 0.180 nan 8.230 nan 0.000 0.432 445 L N 0.493 121.679 121.223 -0.062 0.000 2.127 445 L HA -0.227 4.113 4.340 -0.001 0.000 0.211 445 L C 2.490 179.330 176.870 -0.050 0.000 1.089 445 L CA 1.532 56.334 54.840 -0.063 0.000 0.757 445 L CB -1.340 40.696 42.059 -0.039 0.000 0.899 445 L HN 0.448 nan 8.230 nan 0.000 0.434 446 N N 1.301 119.979 118.700 -0.037 0.000 2.013 446 N HA -0.271 4.469 4.740 -0.001 0.000 0.195 446 N C 1.880 177.375 175.510 -0.026 0.000 1.051 446 N CA 2.172 55.208 53.050 -0.024 0.000 0.851 446 N CB -0.028 38.447 38.487 -0.020 0.000 1.044 446 N HN 0.549 nan 8.380 nan 0.000 0.422 447 K N 0.236 120.614 120.400 -0.036 0.000 2.147 447 K HA -0.085 4.235 4.320 -0.001 0.000 0.205 447 K C 2.312 178.884 176.600 -0.047 0.000 1.049 447 K CA 1.333 57.600 56.287 -0.034 0.000 0.936 447 K CB -0.289 32.188 32.500 -0.039 0.000 0.722 447 K HN 0.231 nan 8.250 nan 0.000 0.446 448 M N 1.154 120.694 119.600 -0.099 0.000 2.159 448 M HA -0.122 4.357 4.480 -0.001 0.000 0.263 448 M C 2.002 178.295 176.300 -0.012 0.000 1.063 448 M CA 1.306 56.494 55.300 -0.188 0.000 1.110 448 M CB -0.198 32.205 32.600 -0.328 0.000 1.374 448 M HN 0.014 nan 8.290 nan 0.000 0.411 449 V N 0.419 120.340 119.914 0.013 0.000 2.970 449 V HA -0.183 3.936 4.120 -0.001 0.000 0.260 449 V C 1.475 177.604 176.094 0.059 0.000 1.100 449 V CA 1.444 63.782 62.300 0.062 0.000 1.122 449 V CB -1.011 30.832 31.823 0.033 0.000 0.721 449 V HN 0.537 nan 8.190 nan 0.000 0.483 450 N N -0.220 118.502 118.700 0.037 0.000 2.368 450 N HA -0.022 4.717 4.740 -0.001 0.000 0.176 450 N C 1.617 177.156 175.510 0.049 0.000 1.021 450 N CA 0.437 53.507 53.050 0.032 0.000 0.888 450 N CB 0.106 38.601 38.487 0.014 0.000 0.995 450 N HN 0.309 nan 8.380 nan 0.000 0.437 451 L N 1.427 122.694 121.223 0.073 0.000 2.307 451 L HA 0.093 4.433 4.340 -0.001 0.000 0.211 451 L C 1.981 178.950 176.870 0.165 0.000 1.099 451 L CA 1.396 56.301 54.840 0.108 0.000 0.816 451 L CB -0.150 41.981 42.059 0.121 0.000 0.952 451 L HN -0.154 nan 8.230 nan 0.000 0.455 452 K N -0.138 120.398 120.400 0.227 0.000 2.148 452 K HA -0.204 4.116 4.320 -0.001 0.000 0.204 452 K C 2.027 178.661 176.600 0.057 0.000 1.050 452 K CA 1.530 57.925 56.287 0.179 0.000 0.942 452 K CB 0.015 32.665 32.500 0.249 0.000 0.724 452 K HN 0.311 nan 8.250 nan 0.000 0.446 453 E N 0.295 120.530 120.200 0.058 0.000 2.190 453 E HA -0.023 4.327 4.350 -0.001 0.000 0.191 453 E C 1.511 178.124 176.600 0.021 0.000 0.978 453 E CA 0.979 57.397 56.400 0.030 0.000 0.839 453 E CB 0.025 29.742 29.700 0.029 0.000 0.787 453 E HN 0.261 nan 8.360 nan 0.000 0.473 454 K N 0.017 120.434 120.400 0.027 0.000 2.362 454 K HA -0.033 4.287 4.320 -0.001 0.000 0.200 454 K C 1.312 177.911 176.600 -0.002 0.000 1.046 454 K CA 0.698 56.995 56.287 0.017 0.000 0.952 454 K CB 0.084 32.598 32.500 0.023 0.000 0.753 454 K HN 0.158 nan 8.250 nan 0.000 0.466 455 I N 1.187 121.746 120.570 -0.018 0.000 2.480 455 I HA -0.148 4.021 4.170 -0.001 0.000 0.251 455 I C 1.591 177.684 176.117 -0.039 0.000 1.124 455 I CA 1.174 62.432 61.300 -0.069 0.000 1.444 455 I CB -0.623 37.298 38.000 -0.131 0.000 1.098 455 I HN 0.113 nan 8.210 nan 0.000 0.428 456 K N 0.952 121.346 120.400 -0.010 0.000 2.280 456 K HA -0.162 4.158 4.320 -0.001 0.000 0.202 456 K C 1.682 178.286 176.600 0.007 0.000 1.047 456 K CA 1.008 57.299 56.287 0.006 0.000 0.942 456 K CB -0.060 32.443 32.500 0.004 0.000 0.739 456 K HN 0.443 nan 8.250 nan 0.000 0.457 457 E N 0.266 120.470 120.200 0.008 0.000 2.285 457 E HA -0.045 4.304 4.350 -0.001 0.000 0.194 457 E C 1.605 178.227 176.600 0.038 0.000 0.997 457 E CA 0.615 57.029 56.400 0.023 0.000 0.845 457 E CB 0.221 29.936 29.700 0.025 0.000 0.782 457 E HN 0.269 nan 8.360 nan 0.000 0.491 458 L N -1.328 119.896 121.223 0.003 0.000 2.624 458 L HA 0.109 4.448 4.340 -0.001 0.000 0.222 458 L C 2.001 178.696 176.870 -0.292 0.000 1.046 458 L CA 0.125 54.955 54.840 -0.016 0.000 0.872 458 L CB -0.015 42.050 42.059 0.010 0.000 1.190 458 L HN 0.147 nan 8.230 nan 0.000 0.487 459 H N -0.182 118.692 119.070 -0.327 0.000 2.568 459 H HA 0.019 4.575 4.556 -0.001 0.000 0.281 459 H C 0.423 175.563 175.328 -0.313 0.000 1.028 459 H CA 0.199 56.011 56.048 -0.395 0.000 1.199 459 H CB 0.550 30.172 29.762 -0.234 0.000 1.352 459 H HN 0.202 nan 8.280 nan 0.000 0.605 460 Q N -0.684 119.056 119.800 -0.099 0.000 2.552 460 Q HA 0.078 4.418 4.340 -0.001 0.000 0.289 460 Q C 0.127 176.177 176.000 0.084 0.000 1.097 460 Q CA -0.538 55.249 55.803 -0.026 0.000 0.812 460 Q CB 2.036 30.770 28.738 -0.006 0.000 1.460 460 Q HN 0.400 nan 8.270 nan 0.000 0.452 461 Q N -0.725 119.148 119.800 0.122 0.000 2.311 461 Q HA -0.209 4.131 4.340 -0.001 0.000 0.178 461 Q C -0.977 175.191 176.000 0.279 0.000 0.596 461 Q CA 0.648 56.555 55.803 0.173 0.000 1.377 461 Q CB -0.773 28.066 28.738 0.169 0.000 1.372 461 Q HN 0.508 nan 8.270 nan 0.000 0.896 462 Y N 0.680 120.995 120.300 0.025 0.000 2.299 462 Y HA 0.268 4.818 4.550 -0.001 0.000 0.335 462 Y C 1.264 177.174 175.900 0.017 0.000 1.287 462 Y CA 0.717 58.834 58.100 0.027 0.000 1.424 462 Y CB 0.510 38.998 38.460 0.046 0.000 1.326 462 Y HN 0.111 nan 8.280 nan 0.000 0.567 463 K N -0.839 119.628 120.400 0.113 0.000 3.088 463 K HA -0.245 4.074 4.320 -0.001 0.000 0.273 463 K C -0.478 176.144 176.600 0.037 0.000 1.111 463 K CA 1.077 57.398 56.287 0.058 0.000 0.803 463 K CB -1.052 31.494 32.500 0.077 0.000 1.226 463 K HN 0.704 nan 8.250 nan 0.000 0.485 474 I N -1.698 118.878 120.570 0.010 0.000 2.850 474 I HA 0.100 4.270 4.170 -0.001 0.000 0.266 474 I C 1.717 177.844 176.117 0.016 0.000 1.257 474 I CA 1.484 62.790 61.300 0.010 0.000 1.465 474 I CB -0.667 37.337 38.000 0.007 0.000 1.091 474 I HN 0.335 nan 8.210 nan 0.000 0.467 475 T N 1.078 115.647 114.554 0.025 0.000 3.278 475 T HA 0.441 4.790 4.350 -0.001 0.000 0.251 475 T C 1.817 176.555 174.700 0.064 0.000 1.039 475 T CA 0.522 62.650 62.100 0.047 0.000 0.935 475 T CB -0.148 68.757 68.868 0.062 0.000 1.034 475 T HN 0.522 nan 8.240 nan 0.000 0.575 476 A N 1.671 124.509 122.820 0.029 0.000 2.084 476 A HA -0.192 4.128 4.320 -0.001 0.000 0.221 476 A C 2.158 179.752 177.584 0.016 0.000 1.161 476 A CA 1.547 53.588 52.037 0.006 0.000 0.653 476 A CB -0.455 18.541 19.000 -0.007 0.000 0.802 476 A HN 0.615 nan 8.150 nan 0.000 0.457 477 E N -2.240 117.990 120.200 0.050 0.000 2.333 477 E HA -0.161 4.189 4.350 -0.001 0.000 0.198 477 E C 1.137 177.820 176.600 0.138 0.000 1.007 477 E CA 0.997 57.437 56.400 0.066 0.000 0.845 477 E CB -0.107 29.632 29.700 0.064 0.000 0.766 477 E HN 0.656 nan 8.360 nan 0.000 0.507 478 F N -0.509 119.418 119.950 -0.038 0.000 2.746 478 F HA 0.146 4.673 4.527 -0.001 0.000 0.313 478 F C 1.208 176.978 175.800 -0.050 0.000 1.095 478 F CA -0.332 57.647 58.000 -0.035 0.000 1.224 478 F CB 0.258 39.243 39.000 -0.026 0.000 1.060 478 F HN 0.023 nan 8.300 nan 0.000 0.584 479 L N 0.109 121.311 121.223 -0.035 0.000 1.971 479 L HA -0.020 4.319 4.340 -0.001 0.000 0.208 479 L C 1.964 178.682 176.870 -0.254 0.000 1.083 479 L CA 2.035 56.793 54.840 -0.136 0.000 0.753 479 L CB -1.139 40.868 42.059 -0.087 0.000 0.893 479 L HN -0.080 nan 8.230 nan 0.000 0.436 480 V N 0.733 120.507 119.914 -0.233 0.000 2.867 480 V HA -0.185 3.935 4.120 -0.001 0.000 0.260 480 V C 2.654 178.637 176.094 -0.184 0.000 1.099 480 V CA 1.381 63.506 62.300 -0.291 0.000 1.122 480 V CB -1.090 30.632 31.823 -0.168 0.000 0.708 480 V HN 0.461 nan 8.190 nan 0.000 0.490 481 K N 0.713 121.002 120.400 -0.187 0.000 2.007 481 K HA -0.087 4.232 4.320 -0.001 0.000 0.206 481 K C 2.338 178.812 176.600 -0.210 0.000 1.047 481 K CA 1.899 58.083 56.287 -0.172 0.000 0.937 481 K CB -0.348 32.050 32.500 -0.170 0.000 0.718 481 K HN 0.482 nan 8.250 nan 0.000 0.438 482 S N 1.388 116.847 115.700 -0.402 0.000 2.345 482 S HA -0.043 4.427 4.470 -0.001 0.000 0.220 482 S C 1.772 176.266 174.600 -0.176 0.000 1.031 482 S CA 0.872 58.851 58.200 -0.369 0.000 0.996 482 S CB -0.092 62.791 63.200 -0.529 0.000 0.882 482 S HN 0.240 nan 8.310 nan 0.000 0.445 483 K N 0.853 121.132 120.400 -0.202 0.000 2.113 483 K HA -0.182 4.138 4.320 -0.001 0.000 0.208 483 K C 1.909 178.563 176.600 0.091 0.000 1.047 483 K CA 1.507 57.714 56.287 -0.133 0.000 0.928 483 K CB -0.724 31.442 32.500 -0.555 0.000 0.716 483 K HN 0.462 nan 8.250 nan 0.000 0.446 484 H N 1.625 120.684 119.070 -0.019 0.000 2.265 484 H HA -0.111 4.444 4.556 -0.001 0.000 0.295 484 H C 1.893 177.245 175.328 0.039 0.000 1.084 484 H CA 2.501 58.598 56.048 0.082 0.000 1.261 484 H CB -0.014 29.765 29.762 0.028 0.000 1.360 484 H HN 0.254 nan 8.280 nan 0.000 0.487 485 R N -0.033 120.485 120.500 0.031 0.000 2.357 485 R HA -0.037 4.302 4.340 -0.001 0.000 0.202 485 R C 0.520 176.794 176.300 -0.043 0.000 1.047 485 R CA 1.399 57.478 56.100 -0.034 0.000 1.034 485 R CB 0.144 30.439 30.300 -0.009 0.000 0.875 485 R HN 0.338 nan 8.270 nan 0.000 0.473 486 D N 0.914 121.302 120.400 -0.019 0.000 2.338 486 D HA -0.023 4.617 4.640 -0.001 0.000 0.224 486 D C 1.797 178.088 176.300 -0.014 0.000 0.967 486 D CA 0.439 54.437 54.000 -0.004 0.000 0.896 486 D CB -0.004 40.810 40.800 0.023 0.000 1.028 486 D HN 0.177 nan 8.370 nan 0.000 0.493 487 L N 1.031 122.250 121.223 -0.007 0.000 2.179 487 L HA -0.088 4.252 4.340 -0.001 0.000 0.208 487 L C 2.205 178.973 176.870 -0.170 0.000 1.096 487 L CA 1.457 56.242 54.840 -0.090 0.000 0.779 487 L CB -0.337 41.654 42.059 -0.114 0.000 0.922 487 L HN 0.099 nan 8.230 nan 0.000 0.443 488 T N -3.004 111.431 114.554 -0.199 0.000 2.857 488 T HA -0.024 4.326 4.350 -0.001 0.000 0.266 488 T C 1.895 176.528 174.700 -0.111 0.000 1.048 488 T CA 0.735 62.716 62.100 -0.197 0.000 1.139 488 T CB -0.517 68.204 68.868 -0.245 0.000 0.874 488 T HN 0.339 nan 8.240 nan 0.000 0.455 489 A N 1.602 124.373 122.820 -0.081 0.000 1.972 489 A HA 0.203 4.522 4.320 -0.001 0.000 0.219 489 A C 2.353 179.917 177.584 -0.034 0.000 1.169 489 A CA 1.122 53.132 52.037 -0.045 0.000 0.635 489 A CB -0.845 18.136 19.000 -0.031 0.000 0.810 489 A HN 0.577 nan 8.150 nan 0.000 0.446 490 L N -1.384 119.813 121.223 -0.043 0.000 2.492 490 L HA -0.078 4.262 4.340 -0.001 0.000 0.223 490 L C 1.821 178.683 176.870 -0.013 0.000 1.132 490 L CA 0.235 55.061 54.840 -0.023 0.000 0.850 490 L CB -0.258 41.781 42.059 -0.033 0.000 0.966 490 L HN 0.455 nan 8.230 nan 0.000 0.454 491 C N -0.849 118.421 119.300 -0.050 0.000 2.735 491 C HA -0.012 4.448 4.460 -0.001 0.000 0.271 491 C C 2.397 177.388 174.990 0.001 0.000 1.281 491 C CA -0.183 58.810 59.018 -0.041 0.000 1.719 491 C CB -0.280 27.389 27.740 -0.118 0.000 2.024 491 C HN 0.382 nan 8.230 nan 0.000 0.566 492 K N 1.074 121.466 120.400 -0.013 0.000 2.487 492 K HA 0.006 4.325 4.320 -0.001 0.000 0.192 492 K C 1.223 177.829 176.600 0.010 0.000 1.027 492 K CA 0.860 57.144 56.287 -0.005 0.000 1.054 492 K CB 0.113 32.603 32.500 -0.016 0.000 0.824 492 K HN 0.592 nan 8.250 nan 0.000 0.510 493 E N -1.341 118.876 120.200 0.028 0.000 2.378 493 E HA -0.052 4.298 4.350 -0.001 0.000 0.200 493 E C 1.113 177.741 176.600 0.047 0.000 0.882 493 E CA -0.080 56.335 56.400 0.026 0.000 1.061 493 E CB -0.263 29.448 29.700 0.020 0.000 1.049 493 E HN 0.130 nan 8.360 nan 0.000 0.494 494 Y N 3.466 123.743 120.300 -0.038 0.000 2.006 494 Y HA -0.283 4.267 4.550 -0.001 0.000 0.266 494 Y C 1.765 177.647 175.900 -0.029 0.000 1.133 494 Y CA 2.622 60.701 58.100 -0.035 0.000 1.098 494 Y CB -0.409 38.025 38.460 -0.043 0.000 0.969 494 Y HN 0.080 nan 8.280 nan 0.000 0.482 495 D N -0.744 119.866 120.400 0.350 0.000 2.384 495 D HA -0.163 4.476 4.640 -0.001 0.000 0.222 495 D C 1.618 177.957 176.300 0.065 0.000 0.976 495 D CA 1.190 55.312 54.000 0.203 0.000 0.915 495 D CB -0.429 40.454 40.800 0.139 0.000 0.896 495 D HN 0.507 nan 8.370 nan 0.000 0.523 496 E N 0.143 120.365 120.200 0.038 0.000 2.086 496 E HA -0.032 4.318 4.350 -0.001 0.000 0.190 496 E C 1.627 178.210 176.600 -0.028 0.000 0.975 496 E CA 0.476 56.878 56.400 0.003 0.000 0.813 496 E CB -0.319 29.382 29.700 0.002 0.000 0.768 496 E HN 0.218 nan 8.360 nan 0.000 0.457 497 L N 0.692 121.876 121.223 -0.065 0.000 2.191 497 L HA 0.034 4.374 4.340 -0.001 0.000 0.212 497 L C 2.240 179.051 176.870 -0.099 0.000 1.103 497 L CA 1.583 56.364 54.840 -0.099 0.000 0.769 497 L CB -0.995 40.966 42.059 -0.163 0.000 0.908 497 L HN 0.253 nan 8.230 nan 0.000 0.438 498 A N -0.995 121.770 122.820 -0.093 0.000 2.019 498 A HA -0.236 4.084 4.320 -0.001 0.000 0.219 498 A C 2.339 179.904 177.584 -0.033 0.000 1.164 498 A CA 1.683 53.684 52.037 -0.061 0.000 0.644 498 A CB -0.417 18.575 19.000 -0.013 0.000 0.805 498 A HN 0.534 nan 8.150 nan 0.000 0.449 499 E N -0.058 120.126 120.200 -0.026 0.000 2.008 499 E HA -0.161 4.189 4.350 -0.001 0.000 0.191 499 E C 1.998 178.585 176.600 -0.022 0.000 0.986 499 E CA 1.769 58.159 56.400 -0.017 0.000 0.807 499 E CB -0.248 29.445 29.700 -0.011 0.000 0.766 499 E HN 0.635 nan 8.360 nan 0.000 0.450 500 T N -1.095 113.442 114.554 -0.029 0.000 3.098 500 T HA -0.112 4.238 4.350 -0.001 0.000 0.266 500 T C 1.699 176.379 174.700 -0.034 0.000 1.145 500 T CA 0.984 63.066 62.100 -0.029 0.000 1.092 500 T CB 0.208 69.057 68.868 -0.031 0.000 0.908 500 T HN 0.163 nan 8.240 nan 0.000 0.526 501 Q N 0.555 120.330 119.800 -0.041 0.000 2.339 501 Q HA 0.147 4.487 4.340 -0.001 0.000 0.205 501 Q C 2.411 178.393 176.000 -0.030 0.000 0.925 501 Q CA 0.884 56.661 55.803 -0.044 0.000 0.898 501 Q CB -0.405 28.295 28.738 -0.064 0.000 1.013 501 Q HN 0.634 nan 8.270 nan 0.000 0.504 502 G N 1.223 110.009 108.800 -0.024 0.000 2.408 502 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.217 502 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.217 502 G C 1.401 176.294 174.900 -0.012 0.000 1.150 502 G CA 0.191 45.283 45.100 -0.014 0.000 0.776 502 G HN 0.113 nan 8.290 nan 0.000 0.542 503 K N -0.121 120.271 120.400 -0.014 0.000 2.574 503 K HA 0.115 4.434 4.320 -0.001 0.000 0.193 503 K C 1.630 178.222 176.600 -0.013 0.000 1.035 503 K CA 0.301 56.581 56.287 -0.012 0.000 0.982 503 K CB 0.117 32.609 32.500 -0.013 0.000 0.795 503 K HN 0.277 nan 8.250 nan 0.000 0.491 504 L N -0.338 120.876 121.223 -0.015 0.000 2.433 504 L HA 0.050 4.390 4.340 -0.001 0.000 0.200 504 L C 1.676 178.539 176.870 -0.011 0.000 1.059 504 L CA 1.020 55.851 54.840 -0.016 0.000 0.835 504 L CB -0.245 41.802 42.059 -0.020 0.000 1.076 504 L HN -0.021 nan 8.230 nan 0.000 0.481 505 E N -0.062 120.132 120.200 -0.009 0.000 2.160 505 E HA -0.249 4.101 4.350 -0.001 0.000 0.195 505 E C 1.887 178.487 176.600 0.000 0.000 0.991 505 E CA 1.276 57.674 56.400 -0.004 0.000 0.810 505 E CB -0.100 29.598 29.700 -0.003 0.000 0.742 505 E HN 0.497 nan 8.360 nan 0.000 0.466 506 E N 1.466 121.665 120.200 -0.001 0.000 2.017 506 E HA -0.264 4.086 4.350 -0.001 0.000 0.193 506 E C 2.077 178.679 176.600 0.002 0.000 0.997 506 E CA 1.256 57.657 56.400 0.002 0.000 0.804 506 E CB -0.005 29.694 29.700 -0.000 0.000 0.757 506 E HN 0.098 nan 8.360 nan 0.000 0.448 507 K N 0.184 120.582 120.400 -0.004 0.000 2.103 507 K HA -0.196 4.124 4.320 -0.001 0.000 0.207 507 K C 2.346 178.942 176.600 -0.007 0.000 1.048 507 K CA 1.208 57.490 56.287 -0.008 0.000 0.930 507 K CB -0.194 32.296 32.500 -0.017 0.000 0.716 507 K HN 0.150 nan 8.250 nan 0.000 0.444 508 L N 1.675 122.896 121.223 -0.003 0.000 1.976 508 L HA -0.223 4.117 4.340 -0.001 0.000 0.209 508 L C 2.491 179.374 176.870 0.022 0.000 1.071 508 L CA 1.944 56.787 54.840 0.004 0.000 0.746 508 L CB -0.780 41.281 42.059 0.003 0.000 0.890 508 L HN 0.316 nan 8.230 nan 0.000 0.432 509 Q N -1.063 118.749 119.800 0.021 0.000 2.167 509 Q HA -0.237 4.103 4.340 -0.001 0.000 0.202 509 Q C 2.169 178.192 176.000 0.039 0.000 0.970 509 Q CA 1.518 57.339 55.803 0.030 0.000 0.855 509 Q CB -0.250 28.501 28.738 0.021 0.000 0.911 509 Q HN 0.610 nan 8.270 nan 0.000 0.438 510 E N 0.251 120.469 120.200 0.031 0.000 2.077 510 E HA -0.186 4.163 4.350 -0.001 0.000 0.193 510 E C 1.859 178.497 176.600 0.064 0.000 0.989 510 E CA 0.910 57.332 56.400 0.036 0.000 0.800 510 E CB 0.050 29.763 29.700 0.021 0.000 0.746 510 E HN 0.332 nan 8.360 nan 0.000 0.452 511 L N 1.498 122.759 121.223 0.063 0.000 2.023 511 L HA -0.137 4.203 4.340 -0.001 0.000 0.205 511 L C 2.311 179.342 176.870 0.268 0.000 1.073 511 L CA 1.969 56.879 54.840 0.118 0.000 0.745 511 L CB -0.855 41.160 42.059 -0.074 0.000 0.900 511 L HN 0.247 nan 8.230 nan 0.000 0.435 512 E N -0.520 119.792 120.200 0.186 0.000 2.533 512 E HA -0.060 4.290 4.350 -0.001 0.000 0.201 512 E C 1.269 177.938 176.600 0.116 0.000 1.097 512 E CA 0.799 57.308 56.400 0.183 0.000 0.887 512 E CB -0.101 29.672 29.700 0.121 0.000 0.855 512 E HN 0.407 nan 8.360 nan 0.000 0.540 513 A N 0.973 123.854 122.820 0.101 0.000 2.419 513 A HA 0.201 4.521 4.320 -0.001 0.000 0.233 513 A C 0.414 178.026 177.584 0.047 0.000 1.217 513 A CA -0.404 51.669 52.037 0.059 0.000 0.944 513 A CB 0.307 19.335 19.000 0.046 0.000 1.025 513 A HN 0.111 nan 8.150 nan 0.000 0.524 514 N N 0.686 119.430 118.700 0.073 0.000 2.610 514 N HA 0.295 5.035 4.740 -0.001 0.000 0.307 514 N C -3.172 172.315 175.510 -0.038 0.000 1.813 514 N CA -0.830 52.245 53.050 0.042 0.000 0.901 514 N CB 0.582 39.114 38.487 0.075 0.000 1.354 514 N HN 0.144 nan 8.380 nan 0.000 0.491 515 P HA 0.185 nan 4.420 nan 0.000 0.268 515 P C -2.189 174.919 177.300 -0.320 0.000 1.204 515 P CA -0.612 62.209 63.100 -0.464 0.000 0.768 515 P CB 0.292 31.833 31.700 -0.264 0.000 0.842 516 P HA 0.069 nan 4.420 nan 0.000 0.271 516 P C -0.376 176.817 177.300 -0.177 0.000 1.244 516 P CA -0.140 62.830 63.100 -0.218 0.000 0.793 516 P CB 0.280 31.843 31.700 -0.227 0.000 0.984 517 S N 0.973 116.608 115.700 -0.109 0.000 2.737 517 S HA -0.104 4.366 4.470 -0.001 0.000 0.315 517 S C 1.186 175.733 174.600 -0.088 0.000 1.236 517 S CA 0.325 58.481 58.200 -0.073 0.000 1.093 517 S CB -0.363 62.821 63.200 -0.027 0.000 0.832 517 S HN 0.568 nan 8.310 nan 0.000 0.507 518 D N 2.845 123.204 120.400 -0.069 0.000 2.158 518 D HA -0.130 4.510 4.640 -0.001 0.000 0.197 518 D C 0.636 176.920 176.300 -0.027 0.000 0.995 518 D CA 1.526 55.495 54.000 -0.052 0.000 0.846 518 D CB 0.172 40.970 40.800 -0.004 0.000 0.941 518 D HN 0.456 nan 8.370 nan 0.000 0.456 519 V N -3.963 115.951 119.914 0.000 0.000 3.188 519 V HA 0.308 4.428 4.120 -0.001 0.000 0.305 519 V C 0.488 176.633 176.094 0.086 0.000 1.232 519 V CA -1.006 61.321 62.300 0.045 0.000 1.043 519 V CB 0.994 32.848 31.823 0.051 0.000 1.068 519 V HN -0.001 nan 8.190 nan 0.000 0.439 520 Y N 2.496 122.798 120.300 0.005 0.000 2.089 520 Y HA 0.310 4.859 4.550 -0.001 0.000 0.282 520 Y C 0.546 176.463 175.900 0.027 0.000 1.139 520 Y CA 1.584 59.697 58.100 0.021 0.000 1.123 520 Y CB 0.156 38.638 38.460 0.037 0.000 0.980 520 Y HN 0.539 nan 8.280 nan 0.000 0.493 521 L N 0.702 121.883 121.223 -0.069 0.000 2.438 521 L HA 0.302 4.641 4.340 -0.001 0.000 0.270 521 L C 0.043 176.902 176.870 -0.019 0.000 0.972 521 L CA -0.887 53.864 54.840 -0.148 0.000 0.831 521 L CB 1.919 43.876 42.059 -0.170 0.000 1.273 521 L HN 0.088 nan 8.230 nan 0.000 0.405 522 S N 0.570 116.252 115.700 -0.030 0.000 2.587 522 S HA 0.014 4.483 4.470 -0.001 0.000 0.260 522 S C 1.304 175.912 174.600 0.014 0.000 1.353 522 S CA 0.211 58.410 58.200 -0.002 0.000 0.995 522 S CB 1.340 64.533 63.200 -0.012 0.000 0.912 522 S HN 0.661 nan 8.310 nan 0.000 0.568 523 S N 0.335 116.048 115.700 0.021 0.000 2.400 523 S HA -0.131 4.339 4.470 -0.001 0.000 0.232 523 S C 2.021 176.635 174.600 0.023 0.000 1.025 523 S CA 1.322 59.539 58.200 0.029 0.000 0.993 523 S CB -0.485 62.731 63.200 0.027 0.000 0.808 523 S HN 0.726 nan 8.310 nan 0.000 0.478 524 R N 0.260 120.766 120.500 0.009 0.000 2.100 524 R HA 0.039 4.378 4.340 -0.001 0.000 0.220 524 R C 1.882 178.180 176.300 -0.004 0.000 1.091 524 R CA 1.269 57.370 56.100 0.001 0.000 0.986 524 R CB -0.212 30.081 30.300 -0.011 0.000 0.888 524 R HN 0.425 nan 8.270 nan 0.000 0.444 525 D N 0.405 120.798 120.400 -0.012 0.000 2.123 525 D HA -0.184 4.455 4.640 -0.001 0.000 0.196 525 D C 1.867 178.173 176.300 0.010 0.000 0.992 525 D CA 1.131 55.116 54.000 -0.025 0.000 0.833 525 D CB -0.071 40.690 40.800 -0.065 0.000 0.954 525 D HN 0.010 nan 8.370 nan 0.000 0.455 526 R N 1.329 121.851 120.500 0.037 0.000 2.081 526 R HA -0.114 4.225 4.340 -0.001 0.000 0.235 526 R C 2.119 178.476 176.300 0.096 0.000 1.131 526 R CA 1.428 57.582 56.100 0.090 0.000 0.960 526 R CB -0.478 29.881 30.300 0.099 0.000 0.856 526 R HN 0.220 nan 8.270 nan 0.000 0.436 527 Q N -0.267 119.570 119.800 0.061 0.000 2.096 527 Q HA -0.133 4.206 4.340 -0.001 0.000 0.204 527 Q C 2.173 178.207 176.000 0.057 0.000 0.982 527 Q CA 1.916 57.752 55.803 0.055 0.000 0.850 527 Q CB -0.183 28.571 28.738 0.026 0.000 0.901 527 Q HN 0.415 nan 8.270 nan 0.000 0.422 528 I N 0.218 120.806 120.570 0.030 0.000 2.315 528 I HA -0.240 3.929 4.170 -0.001 0.000 0.248 528 I C 2.218 178.383 176.117 0.079 0.000 1.117 528 I CA 0.524 61.832 61.300 0.013 0.000 1.404 528 I CB -0.169 37.817 38.000 -0.024 0.000 1.071 528 I HN 0.217 nan 8.210 nan 0.000 0.419 529 L N 0.806 122.081 121.223 0.087 0.000 2.083 529 L HA -0.211 4.129 4.340 -0.001 0.000 0.209 529 L C 1.932 178.779 176.870 -0.039 0.000 1.083 529 L CA 1.929 56.791 54.840 0.038 0.000 0.752 529 L CB -0.777 41.323 42.059 0.068 0.000 0.899 529 L HN 0.189 nan 8.230 nan 0.000 0.433 530 D N -1.529 118.962 120.400 0.152 0.000 2.263 530 D HA -0.252 4.388 4.640 -0.001 0.000 0.208 530 D C 1.745 178.091 176.300 0.078 0.000 0.971 530 D CA 1.136 55.276 54.000 0.234 0.000 0.867 530 D CB -0.192 40.712 40.800 0.173 0.000 0.929 530 D HN 0.585 nan 8.370 nan 0.000 0.492 531 W N 1.244 122.443 121.300 -0.168 0.000 2.388 531 W HA -0.140 4.520 4.660 -0.000 0.000 0.294 531 W C 2.288 178.582 176.519 -0.375 0.000 1.212 531 W CA 1.152 58.350 57.345 -0.245 0.000 1.271 531 W CB -0.170 29.113 29.460 -0.296 0.000 1.126 531 W HN 0.070 nan 8.180 nan 0.000 0.535 532 H N -1.217 117.700 119.070 -0.256 0.000 2.428 532 H HA -0.079 4.476 4.556 -0.001 0.000 0.296 532 H C 1.938 176.774 175.328 -0.820 0.000 1.062 532 H CA 1.685 57.243 56.048 -0.818 0.000 1.350 532 H CB -0.723 28.159 29.762 -1.467 0.000 1.403 532 H HN 0.165 nan 8.280 nan 0.000 0.533 533 F N 0.892 120.702 119.950 -0.233 0.000 2.163 533 F HA 0.012 4.538 4.527 -0.001 0.000 0.297 533 F C 2.767 178.427 175.800 -0.233 0.000 1.094 533 F CA 0.760 58.712 58.000 -0.081 0.000 1.290 533 F CB -0.835 38.161 39.000 -0.006 0.000 1.017 533 F HN 0.084 nan 8.300 nan 0.000 0.483 534 A N -0.192 122.504 122.820 -0.207 0.000 1.972 534 A HA -0.251 4.069 4.320 -0.001 0.000 0.219 534 A C 2.060 179.182 177.584 -0.770 0.000 1.169 534 A CA 1.956 53.665 52.037 -0.547 0.000 0.635 534 A CB -1.249 17.300 19.000 -0.751 0.000 0.810 534 A HN 0.515 nan 8.150 nan 0.000 0.446 535 N N -0.849 117.457 118.700 -0.657 0.000 2.309 535 N HA -0.027 4.713 4.740 -0.001 0.000 0.182 535 N C 1.686 177.233 175.510 0.061 0.000 1.018 535 N CA 0.621 53.498 53.050 -0.288 0.000 0.876 535 N CB -0.115 38.086 38.487 -0.475 0.000 0.972 535 N HN 0.518 nan 8.380 nan 0.000 0.434 536 L N 0.793 122.021 121.223 0.007 0.000 2.102 536 L HA -0.027 4.312 4.340 -0.001 0.000 0.202 536 L C 1.777 178.659 176.870 0.020 0.000 1.076 536 L CA 0.960 55.869 54.840 0.115 0.000 0.761 536 L CB -0.162 42.017 42.059 0.200 0.000 0.921 536 L HN 0.226 nan 8.230 nan 0.000 0.444 537 E N -0.476 119.685 120.200 -0.066 0.000 2.331 537 E HA -0.274 4.076 4.350 -0.001 0.000 0.199 537 E C 1.764 178.327 176.600 -0.062 0.000 1.008 537 E CA 1.228 57.553 56.400 -0.124 0.000 0.843 537 E CB -0.087 29.504 29.700 -0.181 0.000 0.761 537 E HN 0.463 nan 8.360 nan 0.000 0.507 538 F N 1.371 121.245 119.950 -0.126 0.000 2.179 538 F HA 0.091 4.617 4.527 -0.001 0.000 0.292 538 F C 2.221 178.107 175.800 0.143 0.000 1.089 538 F CA 1.114 59.133 58.000 0.031 0.000 1.295 538 F CB -0.603 38.527 39.000 0.218 0.000 1.041 538 F HN -0.087 nan 8.300 nan 0.000 0.487 539 A N 0.975 123.596 122.820 -0.332 0.000 1.883 539 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 539 A C 1.953 179.520 177.584 -0.028 0.000 1.186 539 A CA 1.976 53.823 52.037 -0.317 0.000 0.624 539 A CB -0.989 18.011 19.000 -0.000 0.000 0.822 539 A HN 0.589 nan 8.150 nan 0.000 0.444 540 N N -0.801 117.908 118.700 0.015 0.000 2.422 540 N HA 0.188 4.928 4.740 -0.001 0.000 0.181 540 N C 0.787 176.206 175.510 -0.151 0.000 1.080 540 N CA 0.924 54.006 53.050 0.054 0.000 0.893 540 N CB 0.042 38.541 38.487 0.020 0.000 0.973 540 N HN 0.661 nan 8.380 nan 0.000 0.456 541 A N 0.482 123.163 122.820 -0.232 0.000 2.822 541 A HA -0.169 4.150 4.320 -0.001 0.000 0.287 541 A C 0.397 177.731 177.584 -0.417 0.000 1.479 541 A CA 1.535 53.328 52.037 -0.407 0.000 0.779 541 A CB -2.089 16.279 19.000 -1.052 0.000 1.022 541 A HN 0.385 nan 8.150 nan 0.000 0.532 542 T N -2.207 112.110 114.554 -0.395 0.000 2.893 542 T HA 0.553 4.903 4.350 -0.001 0.000 0.337 542 T C -3.393 171.093 174.700 -0.356 0.000 1.587 542 T CA -0.552 61.263 62.100 -0.475 0.000 1.066 542 T CB 1.420 69.642 68.868 -1.076 0.000 1.414 542 T HN 0.024 nan 8.240 nan 0.000 0.488 543 P HA 0.180 nan 4.420 nan 0.000 0.268 543 P C 0.767 177.931 177.300 -0.228 0.000 1.204 543 P CA -0.361 62.615 63.100 -0.206 0.000 0.768 543 P CB 0.388 32.000 31.700 -0.146 0.000 0.842 544 L N 2.983 124.074 121.223 -0.219 0.000 2.129 544 L HA -0.217 4.123 4.340 -0.001 0.000 0.212 544 L C 2.142 178.889 176.870 -0.205 0.000 1.087 544 L CA 2.194 56.886 54.840 -0.247 0.000 0.757 544 L CB -1.842 40.053 42.059 -0.273 0.000 0.896 544 L HN 0.403 nan 8.230 nan 0.000 0.434 545 S N -2.392 113.210 115.700 -0.164 0.000 2.537 545 S HA -0.111 4.359 4.470 -0.001 0.000 0.240 545 S C 1.607 176.164 174.600 -0.073 0.000 0.981 545 S CA 1.076 59.207 58.200 -0.116 0.000 0.948 545 S CB -0.824 62.318 63.200 -0.096 0.000 0.759 545 S HN 0.623 nan 8.310 nan 0.000 0.531 546 T N -1.407 113.102 114.554 -0.075 0.000 3.010 546 T HA 0.426 4.776 4.350 -0.001 0.000 0.257 546 T C 0.383 175.137 174.700 0.090 0.000 1.020 546 T CA -0.530 61.579 62.100 0.015 0.000 0.938 546 T CB -0.332 68.555 68.868 0.030 0.000 1.049 546 T HN 0.291 nan 8.240 nan 0.000 0.522 547 L N 2.338 123.559 121.223 -0.003 0.000 2.417 547 L HA 0.415 4.755 4.340 -0.001 0.000 0.268 547 L C 0.715 177.666 176.870 0.135 0.000 1.158 547 L CA -0.724 54.172 54.840 0.092 0.000 0.819 547 L CB 1.095 43.116 42.059 -0.064 0.000 1.112 547 L HN 0.149 nan 8.230 nan 0.000 0.458 548 S N 2.232 118.098 115.700 0.276 0.000 2.414 548 S HA 0.048 4.518 4.470 -0.001 0.000 0.290 548 S C 0.985 175.766 174.600 0.301 0.000 1.160 548 S CA -0.743 57.605 58.200 0.247 0.000 1.069 548 S CB 0.189 63.576 63.200 0.312 0.000 1.012 548 S HN 0.538 nan 8.310 nan 0.000 0.510 549 L N 5.944 127.256 121.223 0.147 0.000 2.103 549 L HA -0.141 4.199 4.340 -0.001 0.000 0.215 549 L C 2.149 179.155 176.870 0.226 0.000 1.080 549 L CA 2.147 57.084 54.840 0.162 0.000 0.764 549 L CB -0.447 41.598 42.059 -0.023 0.000 0.890 549 L HN 0.753 nan 8.230 nan 0.000 0.435 550 K N -2.528 117.883 120.400 0.018 0.000 2.166 550 K HA -0.057 4.263 4.320 -0.001 0.000 0.201 550 K C 1.391 177.896 176.600 -0.158 0.000 1.052 550 K CA 0.877 57.075 56.287 -0.148 0.000 0.969 550 K CB 0.004 32.236 32.500 -0.446 0.000 0.761 550 K HN 0.530 nan 8.250 nan 0.000 0.459 551 H N -0.839 118.354 119.070 0.205 0.000 2.755 551 H HA -0.001 4.554 4.556 -0.001 0.000 0.273 551 H C 1.427 176.818 175.328 0.106 0.000 1.055 551 H CA 0.110 56.229 56.048 0.118 0.000 1.191 551 H CB -0.034 29.805 29.762 0.128 0.000 1.536 551 H HN 0.428 nan 8.280 nan 0.000 0.529 552 W N 2.982 124.400 121.300 0.196 0.000 2.331 552 W HA -0.140 4.520 4.660 -0.001 0.000 0.291 552 W C -0.024 176.581 176.519 0.143 0.000 1.214 552 W CA 1.302 58.752 57.345 0.175 0.000 1.228 552 W CB -0.473 29.064 29.460 0.129 0.000 1.135 552 W HN 0.131 nan 8.180 nan 0.000 0.537 553 D N 0.770 120.601 120.400 -0.947 0.000 2.643 553 D HA -0.070 4.569 4.640 -0.001 0.000 0.244 553 D C 1.845 177.884 176.300 -0.436 0.000 1.257 553 D CA -0.149 53.285 54.000 -0.943 0.000 0.831 553 D CB -0.205 39.603 40.800 -1.654 0.000 1.043 553 D HN 0.172 nan 8.370 nan 0.000 0.488 554 Q N 2.108 121.783 119.800 -0.209 0.000 2.135 554 Q HA -0.198 4.141 4.340 -0.001 0.000 0.204 554 Q C 0.817 176.768 176.000 -0.082 0.000 0.981 554 Q CA 1.767 57.516 55.803 -0.090 0.000 0.856 554 Q CB -0.144 28.605 28.738 0.019 0.000 0.902 554 Q HN 0.498 nan 8.270 nan 0.000 0.425 555 D N -0.674 119.666 120.400 -0.100 0.000 2.349 555 D HA -0.113 4.527 4.640 -0.001 0.000 0.224 555 D C 1.147 177.436 176.300 -0.018 0.000 1.029 555 D CA 0.415 54.399 54.000 -0.026 0.000 0.879 555 D CB -0.297 40.411 40.800 -0.153 0.000 0.906 555 D HN 0.169 nan 8.370 nan 0.000 0.528 556 D N 1.873 122.200 120.400 -0.122 0.000 2.158 556 D HA -0.250 4.390 4.640 -0.001 0.000 0.197 556 D C 0.989 177.193 176.300 -0.159 0.000 0.995 556 D CA 1.024 54.940 54.000 -0.141 0.000 0.846 556 D CB -0.408 40.271 40.800 -0.201 0.000 0.941 556 D HN 0.147 nan 8.370 nan 0.000 0.456 557 D N -2.050 118.194 120.400 -0.260 0.000 2.355 557 D HA -0.058 4.582 4.640 -0.001 0.000 0.253 557 D C 0.135 175.980 176.300 -0.758 0.000 1.187 557 D CA 0.256 53.978 54.000 -0.464 0.000 0.900 557 D CB -0.462 40.000 40.800 -0.564 0.000 0.915 557 D HN 0.181 nan 8.370 nan 0.000 0.516 558 F N -0.253 119.585 119.950 -0.187 0.000 2.880 558 F HA 0.270 4.796 4.527 -0.001 0.000 0.328 558 F C 0.690 176.332 175.800 -0.264 0.000 1.146 558 F CA -0.640 57.220 58.000 -0.234 0.000 1.135 558 F CB 0.133 38.837 39.000 -0.493 0.000 1.151 558 F HN -0.193 nan 8.300 nan 0.000 0.523 559 E N 0.667 120.812 120.200 -0.092 0.000 2.422 559 E HA 0.140 4.490 4.350 -0.001 0.000 0.260 559 E C -0.820 175.706 176.600 -0.123 0.000 1.108 559 E CA 0.132 56.437 56.400 -0.158 0.000 0.943 559 E CB 0.634 30.331 29.700 -0.005 0.000 0.961 559 E HN -0.060 nan 8.360 nan 0.000 0.443 560 F N 0.311 120.342 119.950 0.136 0.000 2.399 560 F HA 0.189 4.716 4.527 -0.001 0.000 0.328 560 F C 1.048 176.931 175.800 0.138 0.000 1.084 560 F CA -1.039 57.014 58.000 0.090 0.000 1.053 560 F CB 1.066 40.059 39.000 -0.012 0.000 1.209 560 F HN 0.268 nan 8.300 nan 0.000 0.502 561 T N -0.638 114.144 114.554 0.381 0.000 2.882 561 T HA 0.715 5.065 4.350 -0.001 0.000 0.287 561 T C 0.169 175.010 174.700 0.236 0.000 1.014 561 T CA 0.015 62.286 62.100 0.285 0.000 1.049 561 T CB 1.204 70.253 68.868 0.303 0.000 1.001 561 T HN 1.425 nan 8.240 nan 0.000 0.525 562 G N 0.902 109.809 108.800 0.179 0.000 2.497 562 G HA2 0.165 4.125 3.960 -0.001 0.000 0.686 562 G HA3 0.165 4.125 3.960 -0.001 0.000 0.686 562 G C -0.507 174.489 174.900 0.161 0.000 1.288 562 G CA -0.599 44.590 45.100 0.148 0.000 0.899 562 G HN 0.984 nan 8.290 nan 0.000 0.608 563 S N 0.356 116.134 115.700 0.129 0.000 2.565 563 S HA 0.449 4.918 4.470 -0.001 0.000 0.276 563 S C 0.500 175.241 174.600 0.235 0.000 1.326 563 S CA -0.367 57.909 58.200 0.127 0.000 1.045 563 S CB 0.459 63.712 63.200 0.088 0.000 0.918 563 S HN 0.577 nan 8.310 nan 0.000 0.505 564 H N 1.067 120.203 119.070 0.110 0.000 2.771 564 H HA 0.323 4.879 4.556 -0.001 0.000 0.364 564 H C -0.191 175.198 175.328 0.102 0.000 1.133 564 H CA -0.308 55.813 56.048 0.121 0.000 1.423 564 H CB 0.428 30.285 29.762 0.158 0.000 1.425 564 H HN 0.311 nan 8.280 nan 0.000 0.606 565 L N 0.927 122.263 121.223 0.188 0.000 2.283 565 L HA 0.447 4.787 4.340 -0.001 0.000 0.259 565 L C -0.074 176.840 176.870 0.073 0.000 1.027 565 L CA -0.745 54.158 54.840 0.105 0.000 0.828 565 L CB 2.362 44.445 42.059 0.040 0.000 1.380 565 L HN 0.545 nan 8.230 nan 0.000 0.425 566 T N 0.098 114.676 114.554 0.039 0.000 2.876 566 T HA 0.349 4.699 4.350 -0.001 0.000 0.289 566 T C -0.504 174.168 174.700 -0.047 0.000 1.014 566 T CA -0.394 61.708 62.100 0.004 0.000 0.986 566 T CB 2.112 70.998 68.868 0.031 0.000 1.021 566 T HN 0.206 nan 8.240 nan 0.000 0.458 567 V N 4.511 124.377 119.914 -0.081 0.000 2.287 567 V HA 0.127 4.247 4.120 -0.001 0.000 0.246 567 V C 1.799 177.949 176.094 0.092 0.000 1.165 567 V CA -0.178 62.083 62.300 -0.065 0.000 1.088 567 V CB -0.232 31.496 31.823 -0.157 0.000 1.242 567 V HN 0.696 nan 8.190 nan 0.000 0.497 568 R N 4.582 125.123 120.500 0.068 0.000 2.185 568 R HA -0.173 4.166 4.340 -0.001 0.000 0.247 568 R C 1.437 177.874 176.300 0.229 0.000 1.159 568 R CA 2.192 58.369 56.100 0.130 0.000 0.988 568 R CB -0.077 30.270 30.300 0.078 0.000 0.871 568 R HN 0.848 nan 8.270 nan 0.000 0.458 569 N N -0.772 118.022 118.700 0.158 0.000 2.389 569 N HA 0.158 4.898 4.740 -0.001 0.000 0.260 569 N C -0.582 175.001 175.510 0.123 0.000 1.191 569 N CA 0.451 53.581 53.050 0.133 0.000 0.885 569 N CB 0.504 39.036 38.487 0.075 0.000 1.162 569 N HN 0.271 nan 8.380 nan 0.000 0.512 570 G N 0.810 109.720 108.800 0.183 0.000 3.295 570 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.686 570 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.686 570 G C -0.217 174.804 174.900 0.202 0.000 0.958 570 G CA -0.440 44.758 45.100 0.163 0.000 0.787 570 G HN 0.450 nan 8.290 nan 0.000 0.523 571 Y N 1.555 121.917 120.300 0.104 0.000 2.639 571 Y HA -0.092 4.458 4.550 -0.000 0.000 0.297 571 Y C 2.773 178.711 175.900 0.063 0.000 1.151 571 Y CA 1.313 59.461 58.100 0.080 0.000 1.335 571 Y CB 0.251 38.758 38.460 0.078 0.000 0.994 571 Y HN 0.892 nan 8.280 nan 0.000 0.548 572 S N -1.081 114.760 115.700 0.235 0.000 2.481 572 S HA -0.200 4.270 4.470 -0.001 0.000 0.231 572 S C 1.898 176.566 174.600 0.113 0.000 0.996 572 S CA 0.694 58.974 58.200 0.133 0.000 0.942 572 S CB -1.469 61.788 63.200 0.095 0.000 0.768 572 S HN 0.650 nan 8.310 nan 0.000 0.520 573 C N 0.177 119.554 119.300 0.128 0.000 2.422 573 C HA 0.161 4.620 4.460 -0.001 0.000 0.286 573 C C 2.149 177.194 174.990 0.092 0.000 1.412 573 C CA -0.001 59.070 59.018 0.088 0.000 1.786 573 C CB -1.809 25.976 27.740 0.075 0.000 1.835 573 C HN 0.408 nan 8.230 nan 0.000 0.533 574 V N 2.727 122.727 119.914 0.142 0.000 2.283 574 V HA 0.004 4.124 4.120 -0.001 0.000 0.239 574 V C 0.536 176.674 176.094 0.073 0.000 1.035 574 V CA 2.077 64.455 62.300 0.129 0.000 1.018 574 V CB -1.501 30.458 31.823 0.227 0.000 0.658 574 V HN 0.269 nan 8.190 nan 0.000 0.459 575 P HA -0.121 nan 4.420 nan 0.000 0.219 575 P C 1.795 179.104 177.300 0.016 0.000 1.146 575 P CA 1.437 64.550 63.100 0.020 0.000 0.808 575 P CB -0.037 31.664 31.700 0.002 0.000 0.779 576 V N 1.241 121.169 119.914 0.024 0.000 2.270 576 V HA -0.210 3.910 4.120 -0.001 0.000 0.245 576 V C 2.926 179.021 176.094 0.003 0.000 1.043 576 V CA 2.337 64.644 62.300 0.012 0.000 1.014 576 V CB -1.760 30.073 31.823 0.017 0.000 0.645 576 V HN 0.111 nan 8.190 nan 0.000 0.447 577 A N -0.451 122.376 122.820 0.011 0.000 1.972 577 A HA -0.141 4.178 4.320 -0.001 0.000 0.219 577 A C 2.197 179.776 177.584 -0.009 0.000 1.169 577 A CA 1.673 53.710 52.037 0.001 0.000 0.635 577 A CB -0.530 18.476 19.000 0.010 0.000 0.810 577 A HN 0.529 nan 8.150 nan 0.000 0.446 578 L N -1.191 120.033 121.223 0.001 0.000 2.156 578 L HA -0.081 4.259 4.340 -0.001 0.000 0.208 578 L C 2.748 179.603 176.870 -0.026 0.000 1.095 578 L CA 0.837 55.674 54.840 -0.005 0.000 0.770 578 L CB -0.320 41.746 42.059 0.012 0.000 0.914 578 L HN 0.402 nan 8.230 nan 0.000 0.439 579 A N -0.636 122.169 122.820 -0.025 0.000 2.235 579 A HA -0.081 4.239 4.320 -0.001 0.000 0.208 579 A C 1.004 178.561 177.584 -0.045 0.000 1.172 579 A CA -0.052 51.962 52.037 -0.038 0.000 0.786 579 A CB -0.491 18.489 19.000 -0.033 0.000 0.804 579 A HN 0.370 nan 8.150 nan 0.000 0.479 580 E N -0.043 120.130 120.200 -0.045 0.000 2.265 580 E HA 0.345 4.694 4.350 -0.001 0.000 0.272 580 E C 1.100 177.662 176.600 -0.064 0.000 1.067 580 E CA 0.527 56.897 56.400 -0.050 0.000 0.900 580 E CB -0.142 29.529 29.700 -0.048 0.000 1.017 580 E HN 0.601 nan 8.360 nan 0.000 0.431 581 G N 3.946 112.709 108.800 -0.061 0.000 2.176 581 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.253 581 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.253 581 G C 0.109 174.967 174.900 -0.071 0.000 0.979 581 G CA 0.177 45.237 45.100 -0.067 0.000 0.641 581 G HN 0.484 nan 8.290 nan 0.000 0.530 582 L N 0.291 121.472 121.223 -0.071 0.000 2.399 582 L HA 0.567 4.906 4.340 -0.001 0.000 0.265 582 L C 0.224 177.047 176.870 -0.078 0.000 1.089 582 L CA -0.707 54.087 54.840 -0.077 0.000 0.802 582 L CB 1.186 43.198 42.059 -0.077 0.000 1.180 582 L HN 0.138 nan 8.230 nan 0.000 0.454 583 D N 2.032 122.379 120.400 -0.089 0.000 2.500 583 D HA 0.352 4.992 4.640 -0.001 0.000 0.219 583 D C -0.656 175.570 176.300 -0.122 0.000 1.137 583 D CA -0.136 53.806 54.000 -0.098 0.000 0.946 583 D CB 0.057 40.798 40.800 -0.098 0.000 1.022 583 D HN 0.201 nan 8.370 nan 0.000 0.518 584 I N 2.902 123.405 120.570 -0.112 0.000 2.354 584 I HA 0.276 4.446 4.170 -0.001 0.000 0.292 584 I C 0.359 176.396 176.117 -0.134 0.000 0.989 584 I CA -0.854 60.370 61.300 -0.126 0.000 1.188 584 I CB 1.633 39.574 38.000 -0.099 0.000 1.342 584 I HN 0.029 nan 8.210 nan 0.000 0.457 585 K N 7.511 127.807 120.400 -0.173 0.000 2.423 585 K HA 0.464 4.784 4.320 -0.001 0.000 0.234 585 K C -0.514 175.995 176.600 -0.152 0.000 1.051 585 K CA -0.458 55.724 56.287 -0.175 0.000 1.021 585 K CB 0.775 33.126 32.500 -0.249 0.000 1.474 585 K HN 0.499 nan 8.250 nan 0.000 0.474 586 L N 1.400 122.556 121.223 -0.112 0.000 2.473 586 L HA -0.011 4.329 4.340 -0.001 0.000 0.265 586 L C 0.619 177.441 176.870 -0.079 0.000 1.243 586 L CA 0.251 55.031 54.840 -0.099 0.000 0.822 586 L CB -0.088 41.930 42.059 -0.068 0.000 1.101 586 L HN 0.765 nan 8.230 nan 0.000 0.507 587 N N -1.136 117.515 118.700 -0.081 0.000 2.754 587 N HA -0.157 4.583 4.740 -0.001 0.000 0.248 587 N C -0.931 174.580 175.510 0.001 0.000 1.093 587 N CA 0.450 53.481 53.050 -0.032 0.000 0.699 587 N CB -1.028 37.472 38.487 0.021 0.000 1.016 587 N HN 0.634 nan 8.380 nan 0.000 0.552 588 T N 0.247 114.760 114.554 -0.069 0.000 2.963 588 T HA 0.547 4.896 4.350 -0.001 0.000 0.328 588 T C -0.135 174.510 174.700 -0.092 0.000 1.048 588 T CA -0.420 61.682 62.100 0.003 0.000 1.033 588 T CB 1.415 70.265 68.868 -0.030 0.000 1.010 588 T HN 0.326 nan 8.240 nan 0.000 0.469 589 A N 3.450 126.233 122.820 -0.062 0.000 2.269 589 A HA 0.643 4.962 4.320 -0.001 0.000 0.302 589 A C 0.382 177.965 177.584 -0.001 0.000 1.266 589 A CA -0.522 51.437 52.037 -0.129 0.000 0.894 589 A CB 0.175 19.142 19.000 -0.054 0.000 1.147 589 A HN 0.683 nan 8.150 nan 0.000 0.537 590 V N 3.694 123.591 119.914 -0.028 0.000 2.572 590 V HA 0.124 4.243 4.120 -0.001 0.000 0.291 590 V C 1.188 177.282 176.094 -0.000 0.000 1.039 590 V CA 0.455 62.755 62.300 0.001 0.000 1.055 590 V CB 0.761 32.564 31.823 -0.034 0.000 0.969 590 V HN 0.985 nan 8.190 nan 0.000 0.482 591 R N 1.788 122.287 120.500 -0.001 0.000 2.446 591 R HA 0.287 4.626 4.340 -0.001 0.000 0.254 591 R C 0.247 176.503 176.300 -0.074 0.000 0.918 591 R CA 0.141 56.231 56.100 -0.017 0.000 1.069 591 R CB 0.453 30.760 30.300 0.011 0.000 1.194 591 R HN 0.828 nan 8.270 nan 0.000 0.534 592 Q N -0.175 119.570 119.800 -0.092 0.000 2.378 592 Q HA 0.327 4.666 4.340 -0.001 0.000 0.262 592 Q C -1.820 174.116 176.000 -0.107 0.000 0.978 592 Q CA -0.506 55.221 55.803 -0.127 0.000 0.918 592 Q CB 1.980 30.684 28.738 -0.056 0.000 1.415 592 Q HN -0.061 nan 8.270 nan 0.000 0.409 593 V N 4.085 123.900 119.914 -0.165 0.000 2.409 593 V HA 0.571 4.691 4.120 -0.001 0.000 0.291 593 V C -0.584 175.616 176.094 0.177 0.000 1.020 593 V CA -0.585 61.712 62.300 -0.004 0.000 0.848 593 V CB 1.562 33.374 31.823 -0.017 0.000 0.990 593 V HN 0.678 nan 8.190 nan 0.000 0.430 594 R N 4.565 125.172 120.500 0.177 0.000 2.295 594 R HA 0.605 4.945 4.340 -0.001 0.000 0.324 594 R C -1.431 175.022 176.300 0.255 0.000 0.968 594 R CA -0.600 55.603 56.100 0.173 0.000 0.837 594 R CB 1.527 31.871 30.300 0.072 0.000 1.133 594 R HN 0.796 nan 8.270 nan 0.000 0.450 595 Y N -0.559 119.800 120.300 0.099 0.000 2.329 595 Y HA 0.514 5.065 4.550 0.001 0.000 0.328 595 Y C -0.352 175.596 175.900 0.081 0.000 0.992 595 Y CA -1.273 56.885 58.100 0.097 0.000 1.151 595 Y CB 1.025 39.553 38.460 0.113 0.000 1.150 595 Y HN 0.545 nan 8.280 nan 0.000 0.450 596 T N -0.886 113.702 114.554 0.057 0.000 2.922 596 T HA 0.672 5.021 4.350 -0.001 0.000 0.281 596 T C 1.273 176.014 174.700 0.069 0.000 1.005 596 T CA -0.458 61.640 62.100 -0.004 0.000 0.982 596 T CB 1.472 70.343 68.868 0.004 0.000 1.158 596 T HN 0.911 nan 8.240 nan 0.000 0.566 597 A N 0.729 123.574 122.820 0.042 0.000 2.084 597 A HA 0.165 4.485 4.320 -0.001 0.000 0.221 597 A C 1.281 178.911 177.584 0.077 0.000 1.161 597 A CA 1.207 53.280 52.037 0.060 0.000 0.653 597 A CB -1.017 18.003 19.000 0.035 0.000 0.802 597 A HN 1.519 nan 8.150 nan 0.000 0.457 598 S N -2.244 113.504 115.700 0.079 0.000 2.511 598 S HA 0.574 5.044 4.470 -0.001 0.000 0.233 598 S C -0.228 174.432 174.600 0.100 0.000 1.104 598 S CA 0.129 58.384 58.200 0.092 0.000 1.129 598 S CB 0.364 63.603 63.200 0.066 0.000 1.159 598 S HN 2.097 nan 8.310 nan 0.000 0.451 599 G N 0.671 109.553 108.800 0.137 0.000 2.539 599 G HA2 0.221 4.181 3.960 -0.001 0.000 0.686 599 G HA3 0.221 4.181 3.960 -0.001 0.000 0.686 599 G C -0.681 174.303 174.900 0.139 0.000 1.258 599 G CA -0.483 44.693 45.100 0.126 0.000 0.846 599 G HN 1.270 nan 8.290 nan 0.000 0.647 600 C N 0.264 119.641 119.300 0.127 0.000 2.898 600 C HA 0.859 5.318 4.460 -0.001 0.000 0.304 600 C C -0.188 174.868 174.990 0.110 0.000 1.237 600 C CA -0.735 58.368 59.018 0.142 0.000 1.529 600 C CB 1.976 29.808 27.740 0.154 0.000 2.021 600 C HN 0.811 nan 8.230 nan 0.000 0.474 601 E N 0.924 121.192 120.200 0.113 0.000 2.241 601 E HA 0.481 4.830 4.350 -0.001 0.000 0.263 601 E C -1.542 175.117 176.600 0.100 0.000 0.882 601 E CA -0.362 56.094 56.400 0.094 0.000 0.769 601 E CB 2.127 31.867 29.700 0.066 0.000 1.185 601 E HN 0.386 nan 8.360 nan 0.000 0.415 602 V N 5.119 125.103 119.914 0.117 0.000 2.284 602 V HA 0.311 4.431 4.120 -0.001 0.000 0.274 602 V C -0.055 176.127 176.094 0.146 0.000 1.023 602 V CA -0.516 61.852 62.300 0.113 0.000 0.808 602 V CB 0.409 32.296 31.823 0.106 0.000 1.035 602 V HN 0.636 nan 8.190 nan 0.000 0.445 603 I N 4.445 125.066 120.570 0.085 0.000 2.396 603 I HA 0.629 4.798 4.170 -0.001 0.000 0.289 603 I C 0.627 176.802 176.117 0.097 0.000 1.056 603 I CA 0.317 61.665 61.300 0.079 0.000 1.365 603 I CB 1.099 39.115 38.000 0.027 0.000 1.407 603 I HN 0.661 nan 8.210 nan 0.000 0.509 604 A N 6.359 129.282 122.820 0.171 0.000 2.485 604 A HA 0.916 5.236 4.320 -0.001 0.000 0.292 604 A C -0.746 176.948 177.584 0.183 0.000 1.147 604 A CA -0.568 51.581 52.037 0.188 0.000 0.750 604 A CB 2.047 21.205 19.000 0.264 0.000 1.331 604 A HN 0.554 nan 8.150 nan 0.000 0.419 605 V N -0.665 119.337 119.914 0.148 0.000 2.962 605 V HA 0.607 4.727 4.120 -0.001 0.000 0.313 605 V C -0.348 175.835 176.094 0.147 0.000 1.099 605 V CA -1.108 61.221 62.300 0.048 0.000 0.971 605 V CB 1.911 33.734 31.823 0.000 0.000 1.028 605 V HN 0.884 nan 8.190 nan 0.000 0.430 606 N N 2.255 121.014 118.700 0.099 0.000 2.470 606 N HA 0.100 4.840 4.740 -0.001 0.000 0.268 606 N C 1.333 176.912 175.510 0.115 0.000 1.136 606 N CA 0.721 53.896 53.050 0.208 0.000 0.961 606 N CB 2.019 40.633 38.487 0.213 0.000 1.067 606 N HN 1.087 nan 8.380 nan 0.000 0.468 607 T N 2.401 117.028 114.554 0.121 0.000 2.708 607 T HA -0.077 4.273 4.350 -0.001 0.000 0.266 607 T C 1.616 176.380 174.700 0.107 0.000 1.037 607 T CA 0.701 62.883 62.100 0.136 0.000 1.146 607 T CB -0.008 68.958 68.868 0.164 0.000 0.865 607 T HN 0.417 nan 8.240 nan 0.000 0.435 608 R N 1.577 122.132 120.500 0.092 0.000 2.241 608 R HA 0.154 4.494 4.340 -0.001 0.000 0.224 608 R C 1.047 177.379 176.300 0.054 0.000 1.101 608 R CA 0.683 56.825 56.100 0.071 0.000 0.995 608 R CB -0.748 29.591 30.300 0.065 0.000 0.870 608 R HN 0.520 nan 8.270 nan 0.000 0.463 609 S N -0.185 115.545 115.700 0.050 0.000 2.479 609 S HA 0.057 4.526 4.470 -0.001 0.000 0.169 609 S C 0.556 175.153 174.600 -0.004 0.000 1.181 609 S CA -0.306 57.906 58.200 0.020 0.000 1.169 609 S CB 0.378 63.586 63.200 0.014 0.000 1.384 609 S HN 0.315 nan 8.310 nan 0.000 0.412 610 T N 0.425 114.983 114.554 0.007 0.000 3.118 610 T HA -0.116 4.234 4.350 -0.001 0.000 0.269 610 T C 1.909 176.581 174.700 -0.046 0.000 1.166 610 T CA 1.405 63.500 62.100 -0.008 0.000 1.073 610 T CB -0.548 68.329 68.868 0.015 0.000 0.884 610 T HN 0.646 nan 8.240 nan 0.000 0.550 611 S N 1.804 117.471 115.700 -0.055 0.000 2.345 611 S HA -0.098 4.371 4.470 -0.001 0.000 0.219 611 S C 1.172 175.697 174.600 -0.125 0.000 1.031 611 S CA -0.143 58.015 58.200 -0.070 0.000 0.984 611 S CB -0.720 62.448 63.200 -0.052 0.000 0.874 611 S HN 0.862 nan 8.310 nan 0.000 0.451 612 Q N 2.485 122.183 119.800 -0.169 0.000 2.296 612 Q HA 0.462 4.802 4.340 -0.001 0.000 0.262 612 Q C -0.010 175.673 176.000 -0.529 0.000 0.981 612 Q CA -0.262 55.359 55.803 -0.302 0.000 0.905 612 Q CB 0.477 29.046 28.738 -0.282 0.000 1.186 612 Q HN 0.474 nan 8.270 nan 0.000 0.399 613 T N -0.242 113.984 114.554 -0.547 0.000 2.922 613 T HA 0.759 5.109 4.350 -0.001 0.000 0.281 613 T C -0.621 173.562 174.700 -0.861 0.000 1.005 613 T CA -0.643 61.109 62.100 -0.580 0.000 0.982 613 T CB 0.791 69.511 68.868 -0.247 0.000 1.158 613 T HN 0.474 nan 8.240 nan 0.000 0.566 614 F N -0.945 118.964 119.950 -0.070 0.000 2.613 614 F HA 0.692 5.218 4.527 -0.001 0.000 0.310 614 F C -0.548 175.121 175.800 -0.218 0.000 1.085 614 F CA -1.524 56.362 58.000 -0.190 0.000 0.945 614 F CB 2.034 40.934 39.000 -0.168 0.000 1.298 614 F HN 0.499 nan 8.300 nan 0.000 0.455 615 I N 2.769 123.234 120.570 -0.176 0.000 2.517 615 I HA 0.255 4.425 4.170 -0.001 0.000 0.280 615 I C -1.608 174.358 176.117 -0.251 0.000 1.061 615 I CA -0.563 60.658 61.300 -0.132 0.000 1.091 615 I CB 1.231 39.189 38.000 -0.070 0.000 1.205 615 I HN 0.453 nan 8.210 nan 0.000 0.459 616 Y N 5.216 125.544 120.300 0.047 0.000 2.335 616 Y HA 0.425 4.974 4.550 -0.001 0.000 0.339 616 Y C 0.343 176.251 175.900 0.013 0.000 0.987 616 Y CA -0.553 57.556 58.100 0.016 0.000 1.140 616 Y CB 1.215 39.669 38.460 -0.010 0.000 1.173 616 Y HN 0.332 nan 8.280 nan 0.000 0.486 617 K N 3.545 124.026 120.400 0.135 0.000 2.110 617 K HA 0.772 5.092 4.320 -0.001 0.000 0.263 617 K C -0.708 175.939 176.600 0.079 0.000 0.975 617 K CA -0.553 55.788 56.287 0.090 0.000 0.895 617 K CB 1.131 33.664 32.500 0.056 0.000 1.060 617 K HN 0.873 nan 8.250 nan 0.000 0.448 618 C N -1.211 118.126 119.300 0.061 0.000 3.249 618 C HA 0.338 4.797 4.460 -0.001 0.000 0.350 618 C C 0.193 175.203 174.990 0.033 0.000 1.431 618 C CA -0.767 58.266 59.018 0.025 0.000 1.209 618 C CB 0.495 28.232 27.740 -0.005 0.000 1.546 618 C HN 0.863 nan 8.230 nan 0.000 0.450 619 D N 1.033 121.420 120.400 -0.022 0.000 2.259 619 D HA 0.458 5.098 4.640 -0.001 0.000 0.216 619 D C 0.755 177.085 176.300 0.050 0.000 0.961 619 D CA 1.566 55.585 54.000 0.031 0.000 0.878 619 D CB 0.178 40.956 40.800 -0.037 0.000 1.009 619 D HN 1.043 nan 8.370 nan 0.000 0.490 620 A N 0.029 122.768 122.820 -0.134 0.000 2.498 620 A HA 0.678 4.998 4.320 -0.001 0.000 0.298 620 A C -1.324 176.258 177.584 -0.003 0.000 1.075 620 A CA -0.611 51.429 52.037 0.005 0.000 0.714 620 A CB 1.719 20.587 19.000 -0.219 0.000 1.299 620 A HN -0.064 nan 8.150 nan 0.000 0.407 621 V N 1.521 121.500 119.914 0.107 0.000 2.531 621 V HA 0.496 4.616 4.120 -0.001 0.000 0.301 621 V C -1.077 175.028 176.094 0.018 0.000 1.034 621 V CA -0.451 61.864 62.300 0.026 0.000 0.865 621 V CB 1.460 33.301 31.823 0.031 0.000 0.995 621 V HN 0.802 nan 8.190 nan 0.000 0.424 622 L N 5.595 126.782 121.223 -0.059 0.000 2.276 622 L HA 0.576 4.916 4.340 -0.001 0.000 0.286 622 L C -0.277 176.519 176.870 -0.122 0.000 1.024 622 L CA -0.010 54.782 54.840 -0.079 0.000 0.826 622 L CB 0.899 42.906 42.059 -0.086 0.000 1.211 622 L HN 0.850 nan 8.230 nan 0.000 0.422 623 C N 4.365 123.515 119.300 -0.250 0.000 2.200 623 C HA 0.463 4.923 4.460 -0.001 0.000 0.328 623 C C 1.473 176.464 174.990 0.002 0.000 1.148 623 C CA 0.073 58.984 59.018 -0.178 0.000 1.624 623 C CB -0.921 26.600 27.740 -0.365 0.000 2.167 623 C HN 0.942 nan 8.230 nan 0.000 0.484 624 T N 3.668 118.256 114.554 0.056 0.000 3.273 624 T HA 0.262 4.612 4.350 -0.001 0.000 0.254 624 T C 0.298 175.105 174.700 0.179 0.000 1.002 624 T CA -0.281 61.899 62.100 0.133 0.000 0.913 624 T CB -0.485 68.429 68.868 0.076 0.000 1.056 624 T HN 0.651 nan 8.240 nan 0.000 0.576 625 L N 1.917 123.250 121.223 0.183 0.000 2.453 625 L HA 0.303 4.643 4.340 -0.001 0.000 0.272 625 L C -2.091 174.820 176.870 0.068 0.000 1.182 625 L CA -2.110 52.813 54.840 0.138 0.000 0.858 625 L CB 0.162 42.313 42.059 0.152 0.000 1.120 625 L HN 0.050 nan 8.230 nan 0.000 0.474 626 P HA -0.070 nan 4.420 nan 0.000 0.266 626 P C 0.473 177.377 177.300 -0.660 0.000 1.195 626 P CA -0.314 62.636 63.100 -0.251 0.000 0.768 626 P CB 0.623 32.303 31.700 -0.034 0.000 0.838 627 L N 3.967 124.486 121.223 -1.173 0.000 2.129 627 L HA -0.120 4.220 4.340 -0.001 0.000 0.212 627 L C 2.089 178.357 176.870 -1.003 0.000 1.087 627 L CA 2.509 56.703 54.840 -1.077 0.000 0.757 627 L CB -1.476 40.065 42.059 -0.864 0.000 0.896 627 L HN 0.517 nan 8.230 nan 0.000 0.434 628 G N -1.366 106.460 108.800 -1.623 0.000 2.432 628 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.219 628 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.219 628 G C 1.426 176.151 174.900 -0.292 0.000 1.135 628 G CA 1.011 45.629 45.100 -0.804 0.000 0.767 628 G HN 0.371 nan 8.290 nan 0.000 0.550 629 V N 0.770 120.540 119.914 -0.240 0.000 2.407 629 V HA 0.004 4.124 4.120 -0.001 0.000 0.245 629 V C 2.791 178.858 176.094 -0.044 0.000 1.041 629 V CA 0.942 63.207 62.300 -0.058 0.000 1.040 629 V CB -0.367 31.476 31.823 0.033 0.000 0.671 629 V HN 0.317 nan 8.190 nan 0.000 0.455 630 L N -0.299 120.869 121.223 -0.093 0.000 2.191 630 L HA -0.148 4.192 4.340 -0.001 0.000 0.212 630 L C 2.406 179.242 176.870 -0.057 0.000 1.103 630 L CA 1.506 56.333 54.840 -0.023 0.000 0.769 630 L CB -0.505 41.519 42.059 -0.059 0.000 0.908 630 L HN 0.329 nan 8.230 nan 0.000 0.438 631 K N -0.506 119.824 120.400 -0.118 0.000 2.262 631 K HA -0.028 4.291 4.320 -0.001 0.000 0.200 631 K C 0.847 177.421 176.600 -0.044 0.000 1.049 631 K CA -0.133 56.100 56.287 -0.089 0.000 0.979 631 K CB 0.090 32.522 32.500 -0.114 0.000 0.773 631 K HN 0.199 nan 8.250 nan 0.000 0.474 632 Q N 1.738 121.517 119.800 -0.035 0.000 2.348 632 Q HA -0.149 4.190 4.340 -0.001 0.000 0.331 632 Q C -0.780 175.219 176.000 -0.002 0.000 1.099 632 Q CA 0.862 56.659 55.803 -0.011 0.000 1.021 632 Q CB 0.434 29.171 28.738 -0.002 0.000 1.166 632 Q HN 0.018 nan 8.270 nan 0.000 0.393 633 Q N 4.315 124.114 119.800 -0.002 0.000 2.275 633 Q HA 0.388 4.727 4.340 -0.001 0.000 0.266 633 Q C -2.257 173.742 176.000 -0.002 0.000 1.002 633 Q CA -1.667 54.136 55.803 -0.001 0.000 0.761 633 Q CB 1.615 30.351 28.738 -0.003 0.000 1.255 633 Q HN 0.650 nan 8.270 nan 0.000 0.446 634 P HA 0.163 nan 4.420 nan 0.000 0.270 634 P C -2.449 174.856 177.300 0.009 0.000 1.223 634 P CA -0.813 62.289 63.100 0.004 0.000 0.785 634 P CB -0.064 31.637 31.700 0.002 0.000 0.923 635 P HA -0.023 nan 4.420 nan 0.000 0.265 635 P C -0.077 177.237 177.300 0.023 0.000 1.193 635 P CA 0.121 63.239 63.100 0.030 0.000 0.765 635 P CB 0.933 32.661 31.700 0.047 0.000 0.823 636 A N 4.279 127.119 122.820 0.034 0.000 1.929 636 A HA 0.056 4.375 4.320 -0.001 0.000 0.216 636 A C 1.143 178.743 177.584 0.026 0.000 1.176 636 A CA 1.611 53.678 52.037 0.048 0.000 0.628 636 A CB -0.634 18.419 19.000 0.088 0.000 0.816 636 A HN 0.564 nan 8.150 nan 0.000 0.444 637 V N -2.642 117.258 119.914 -0.023 0.000 2.823 637 V HA 0.622 4.742 4.120 -0.001 0.000 0.312 637 V C -0.792 175.164 176.094 -0.230 0.000 1.072 637 V CA -0.978 61.233 62.300 -0.150 0.000 0.937 637 V CB 1.552 33.219 31.823 -0.259 0.000 1.013 637 V HN 0.389 nan 8.190 nan 0.000 0.430 638 Q N 2.298 121.946 119.800 -0.254 0.000 2.271 638 Q HA 0.588 4.928 4.340 -0.001 0.000 0.258 638 Q C -1.930 173.901 176.000 -0.282 0.000 0.936 638 Q CA -0.616 55.086 55.803 -0.168 0.000 0.909 638 Q CB 1.584 30.287 28.738 -0.059 0.000 1.253 638 Q HN 0.776 nan 8.270 nan 0.000 0.440 639 F N 2.931 122.938 119.950 0.096 0.000 2.411 639 F HA 0.427 4.953 4.527 -0.002 0.000 0.352 639 F C -0.516 175.382 175.800 0.163 0.000 1.123 639 F CA -0.639 57.462 58.000 0.170 0.000 1.044 639 F CB 1.686 40.795 39.000 0.182 0.000 1.135 639 F HN 0.211 nan 8.300 nan 0.000 0.461 640 V N 5.368 125.469 119.914 0.313 0.000 2.443 640 V HA 0.379 4.499 4.120 -0.001 0.000 0.293 640 V C -2.334 173.620 176.094 -0.234 0.000 1.021 640 V CA -2.170 60.176 62.300 0.076 0.000 0.848 640 V CB 1.700 33.535 31.823 0.021 0.000 0.998 640 V HN 0.484 nan 8.190 nan 0.000 0.424 641 P HA 0.231 nan 4.420 nan 0.000 0.271 641 P C -2.651 174.730 177.300 0.134 0.000 1.233 641 P CA -1.176 61.840 63.100 -0.140 0.000 0.789 641 P CB -0.074 31.512 31.700 -0.189 0.000 0.951 642 P HA 0.040 nan 4.420 nan 0.000 0.267 642 P C -0.237 177.139 177.300 0.126 0.000 1.200 642 P CA 0.284 63.475 63.100 0.151 0.000 0.772 642 P CB 0.233 31.975 31.700 0.071 0.000 0.855 643 L N 4.802 126.053 121.223 0.046 0.000 2.514 643 L HA 0.051 4.390 4.340 -0.001 0.000 0.280 643 L C -1.646 175.081 176.870 -0.238 0.000 1.223 643 L CA -1.342 53.394 54.840 -0.175 0.000 0.864 643 L CB -0.562 41.270 42.059 -0.378 0.000 1.118 643 L HN 0.302 nan 8.230 nan 0.000 0.494 644 P HA -0.108 nan 4.420 nan 0.000 0.269 644 P C 0.491 177.491 177.300 -0.499 0.000 1.205 644 P CA -0.051 62.782 63.100 -0.445 0.000 0.780 644 P CB 0.490 31.700 31.700 -0.817 0.000 0.858 645 E N 2.081 122.127 120.200 -0.255 0.000 2.072 645 E HA -0.144 4.206 4.350 -0.001 0.000 0.191 645 E C 1.548 178.051 176.600 -0.162 0.000 0.985 645 E CA 1.435 57.745 56.400 -0.149 0.000 0.801 645 E CB -0.330 29.363 29.700 -0.012 0.000 0.750 645 E HN 0.632 nan 8.360 nan 0.000 0.452 646 W N 1.288 122.544 121.300 -0.073 0.000 2.468 646 W HA -0.064 4.595 4.660 -0.002 0.000 0.262 646 W C 1.550 177.994 176.519 -0.124 0.000 1.241 646 W CA 0.836 58.128 57.345 -0.088 0.000 1.232 646 W CB -0.524 28.887 29.460 -0.082 0.000 1.124 646 W HN -0.005 nan 8.180 nan 0.000 0.597 647 K N 2.054 121.942 120.400 -0.852 0.000 2.108 647 K HA -0.089 4.231 4.320 -0.001 0.000 0.204 647 K C 2.492 178.816 176.600 -0.460 0.000 1.036 647 K CA 3.035 58.823 56.287 -0.831 0.000 0.965 647 K CB -1.004 30.758 32.500 -1.229 0.000 0.804 647 K HN 0.015 nan 8.250 nan 0.000 0.454 648 T N -0.878 113.438 114.554 -0.396 0.000 2.699 648 T HA -0.223 4.127 4.350 -0.001 0.000 0.268 648 T C 2.058 176.654 174.700 -0.174 0.000 1.036 648 T CA 2.169 64.122 62.100 -0.246 0.000 1.147 648 T CB -1.021 67.739 68.868 -0.180 0.000 0.862 648 T HN 0.319 nan 8.240 nan 0.000 0.446 649 S N 2.824 118.437 115.700 -0.145 0.000 2.359 649 S HA 0.015 4.485 4.470 -0.001 0.000 0.224 649 S C 2.528 177.071 174.600 -0.096 0.000 1.035 649 S CA 1.113 59.259 58.200 -0.089 0.000 1.018 649 S CB -1.203 61.970 63.200 -0.045 0.000 0.876 649 S HN 0.846 nan 8.310 nan 0.000 0.448 650 A N 1.652 124.406 122.820 -0.111 0.000 1.908 650 A HA 0.029 4.348 4.320 -0.001 0.000 0.218 650 A C 2.462 179.950 177.584 -0.160 0.000 1.181 650 A CA 1.767 53.733 52.037 -0.119 0.000 0.627 650 A CB -1.256 17.679 19.000 -0.108 0.000 0.818 650 A HN 0.469 nan 8.150 nan 0.000 0.445 651 V N 0.077 119.881 119.914 -0.184 0.000 2.332 651 V HA -0.338 3.782 4.120 -0.001 0.000 0.248 651 V C 2.633 178.639 176.094 -0.148 0.000 1.055 651 V CA 2.328 64.520 62.300 -0.181 0.000 1.038 651 V CB -0.946 30.763 31.823 -0.191 0.000 0.651 651 V HN 0.658 nan 8.190 nan 0.000 0.450 652 Q N -0.605 119.123 119.800 -0.121 0.000 2.172 652 Q HA -0.127 4.213 4.340 -0.001 0.000 0.200 652 Q C 2.490 178.440 176.000 -0.083 0.000 0.964 652 Q CA 1.128 56.877 55.803 -0.089 0.000 0.855 652 Q CB -0.167 28.529 28.738 -0.069 0.000 0.918 652 Q HN 0.596 nan 8.270 nan 0.000 0.444 653 R N 0.007 120.453 120.500 -0.090 0.000 2.090 653 R HA 0.044 4.383 4.340 -0.001 0.000 0.228 653 R C 0.998 177.233 176.300 -0.109 0.000 1.110 653 R CA 0.427 56.481 56.100 -0.077 0.000 0.973 653 R CB -0.126 30.135 30.300 -0.065 0.000 0.869 653 R HN 0.249 nan 8.270 nan 0.000 0.440 654 M N 0.243 119.745 119.600 -0.163 0.000 2.240 654 M HA 0.069 4.549 4.480 -0.001 0.000 0.317 654 M C 0.700 176.840 176.300 -0.266 0.000 1.087 654 M CA 0.347 55.506 55.300 -0.235 0.000 1.176 654 M CB 0.533 32.955 32.600 -0.297 0.000 1.439 654 M HN 0.085 nan 8.290 nan 0.000 0.452 655 G N 1.033 109.544 108.800 -0.482 0.000 2.452 655 G HA2 0.646 4.605 3.960 -0.001 0.000 0.324 655 G HA3 0.646 4.605 3.960 -0.001 0.000 0.324 655 G C -1.991 172.484 174.900 -0.708 0.000 1.214 655 G CA -0.338 44.253 45.100 -0.847 0.000 0.947 655 G HN 0.534 nan 8.290 nan 0.000 0.478 656 F N 2.658 122.377 119.950 -0.384 0.000 2.430 656 F HA 0.598 5.125 4.527 -0.000 0.000 0.362 656 F C 0.753 176.657 175.800 0.173 0.000 1.103 656 F CA -0.953 56.998 58.000 -0.081 0.000 1.045 656 F CB 1.140 40.103 39.000 -0.062 0.000 1.276 656 F HN 0.658 nan 8.300 nan 0.000 0.444 657 G N 3.767 112.598 108.800 0.053 0.000 2.570 657 G HA2 0.150 4.110 3.960 -0.001 0.000 0.276 657 G HA3 0.150 4.110 3.960 -0.001 0.000 0.276 657 G C -1.095 173.577 174.900 -0.380 0.000 1.346 657 G CA -0.600 44.432 45.100 -0.114 0.000 1.034 657 G HN 0.710 nan 8.290 nan 0.000 0.512 658 N N -2.101 116.415 118.700 -0.306 0.000 2.329 658 N HA 0.547 5.286 4.740 -0.001 0.000 0.282 658 N C -2.184 173.233 175.510 -0.154 0.000 1.198 658 N CA -0.720 52.213 53.050 -0.195 0.000 0.790 658 N CB 2.184 40.642 38.487 -0.049 0.000 1.579 658 N HN 0.432 nan 8.380 nan 0.000 0.475 659 L N 2.319 123.524 121.223 -0.029 0.000 2.847 659 L HA 0.475 4.815 4.340 -0.001 0.000 0.261 659 L C -2.084 174.918 176.870 0.219 0.000 0.926 659 L CA -0.516 54.372 54.840 0.081 0.000 1.010 659 L CB 1.503 43.611 42.059 0.082 0.000 1.538 659 L HN 0.612 nan 8.230 nan 0.000 0.465 660 N N 3.526 122.360 118.700 0.224 0.000 2.402 660 N HA 0.674 5.414 4.740 -0.001 0.000 0.294 660 N C -1.255 174.358 175.510 0.172 0.000 1.203 660 N CA -0.737 52.473 53.050 0.266 0.000 0.838 660 N CB 2.444 41.037 38.487 0.176 0.000 1.306 660 N HN 0.552 nan 8.380 nan 0.000 0.510 661 K N -0.052 120.437 120.400 0.149 0.000 2.444 661 K HA 0.665 4.984 4.320 -0.001 0.000 0.252 661 K C -1.218 175.392 176.600 0.018 0.000 0.993 661 K CA -0.863 55.459 56.287 0.059 0.000 0.847 661 K CB 2.355 34.889 32.500 0.056 0.000 1.340 661 K HN 0.107 nan 8.250 nan 0.000 0.446 662 V N 1.979 121.885 119.914 -0.014 0.000 2.380 662 V HA 0.180 4.300 4.120 -0.001 0.000 0.286 662 V C -0.706 175.365 176.094 -0.039 0.000 1.015 662 V CA -0.952 61.330 62.300 -0.029 0.000 0.834 662 V CB 1.549 33.368 31.823 -0.006 0.000 1.009 662 V HN 0.473 nan 8.190 nan 0.000 0.428 663 V N 6.834 126.691 119.914 -0.095 0.000 2.389 663 V HA 0.317 4.437 4.120 -0.001 0.000 0.264 663 V C 0.092 176.069 176.094 -0.195 0.000 1.049 663 V CA -0.121 62.105 62.300 -0.123 0.000 0.932 663 V CB 0.943 32.645 31.823 -0.202 0.000 1.011 663 V HN 0.619 nan 8.190 nan 0.000 0.475 664 L N 5.329 126.452 121.223 -0.166 0.000 2.264 664 L HA 0.415 4.754 4.340 -0.001 0.000 0.287 664 L C -0.346 176.221 176.870 -0.505 0.000 1.039 664 L CA -0.196 54.433 54.840 -0.352 0.000 0.829 664 L CB 1.064 42.971 42.059 -0.254 0.000 1.211 664 L HN 0.593 nan 8.230 nan 0.000 0.427 665 C N 3.688 122.651 119.300 -0.561 0.000 2.285 665 C HA 0.580 5.040 4.460 -0.001 0.000 0.335 665 C C 0.233 174.919 174.990 -0.505 0.000 1.267 665 C CA -0.625 58.091 59.018 -0.503 0.000 1.762 665 C CB -0.631 26.715 27.740 -0.656 0.000 2.365 665 C HN 0.466 nan 8.230 nan 0.000 0.527 666 F N 1.769 121.793 119.950 0.122 0.000 2.585 666 F HA 0.453 4.980 4.527 -0.001 0.000 0.350 666 F C 0.983 176.930 175.800 0.246 0.000 1.074 666 F CA -0.813 57.314 58.000 0.211 0.000 1.032 666 F CB 0.911 40.118 39.000 0.345 0.000 1.330 666 F HN 0.531 nan 8.300 nan 0.000 0.495 667 D N -0.345 120.320 120.400 0.442 0.000 2.623 667 D HA 0.206 4.845 4.640 -0.001 0.000 0.252 667 D C -0.219 176.193 176.300 0.186 0.000 1.294 667 D CA -0.193 53.989 54.000 0.303 0.000 0.824 667 D CB 0.396 41.338 40.800 0.236 0.000 1.070 667 D HN 0.470 nan 8.370 nan 0.000 0.487 668 R N -0.055 120.544 120.500 0.164 0.000 2.633 668 R HA 0.317 4.656 4.340 -0.001 0.000 0.256 668 R C -2.059 174.056 176.300 -0.309 0.000 1.131 668 R CA -0.579 55.504 56.100 -0.029 0.000 0.994 668 R CB 1.741 32.051 30.300 0.016 0.000 1.261 668 R HN -0.107 nan 8.270 nan 0.000 0.446 669 V N 6.714 126.281 119.914 -0.579 0.000 2.284 669 V HA 0.189 4.309 4.120 -0.001 0.000 0.260 669 V C 0.485 175.899 176.094 -1.133 0.000 1.084 669 V CA -0.236 61.242 62.300 -1.369 0.000 0.894 669 V CB 0.102 31.242 31.823 -1.137 0.000 1.119 669 V HN 0.657 nan 8.190 nan 0.000 0.484 670 F N 2.039 121.416 119.950 -0.955 0.000 2.732 670 F HA 0.422 4.948 4.527 -0.001 0.000 0.303 670 F C 0.364 175.687 175.800 -0.795 0.000 1.110 670 F CA -1.566 56.036 58.000 -0.663 0.000 1.355 670 F CB -0.569 38.118 39.000 -0.520 0.000 1.081 670 F HN 0.454 nan 8.300 nan 0.000 0.565 671 W N -0.371 120.392 121.300 -0.895 0.000 2.762 671 W HA 0.501 5.161 4.660 -0.001 0.000 0.355 671 W C -0.458 175.872 176.519 -0.315 0.000 1.124 671 W CA -1.732 55.104 57.345 -0.849 0.000 1.141 671 W CB 0.058 29.065 29.460 -0.754 0.000 1.432 671 W HN -0.223 nan 8.180 nan 0.000 0.586 672 D N 3.200 123.697 120.400 0.161 0.000 2.363 672 D HA 0.010 4.649 4.640 -0.001 0.000 0.263 672 D C -0.889 175.541 176.300 0.218 0.000 1.258 672 D CA -1.271 52.814 54.000 0.143 0.000 0.907 672 D CB 1.313 42.225 40.800 0.187 0.000 1.107 672 D HN 0.203 nan 8.370 nan 0.000 0.495 673 P HA -0.132 nan 4.420 nan 0.000 0.223 673 P C 1.166 178.545 177.300 0.132 0.000 1.151 673 P CA 0.645 63.800 63.100 0.092 0.000 0.787 673 P CB 0.254 31.936 31.700 -0.030 0.000 0.788 674 S N -0.843 114.924 115.700 0.111 0.000 2.425 674 S HA 0.011 4.481 4.470 -0.001 0.000 0.225 674 S C 1.059 175.732 174.600 0.122 0.000 1.024 674 S CA 0.094 58.353 58.200 0.098 0.000 0.951 674 S CB -1.241 62.002 63.200 0.071 0.000 0.796 674 S HN -0.081 nan 8.310 nan 0.000 0.498 675 V N 3.731 123.743 119.914 0.163 0.000 2.439 675 V HA 0.162 4.282 4.120 -0.001 0.000 0.271 675 V C 1.000 177.200 176.094 0.177 0.000 1.040 675 V CA -0.079 62.326 62.300 0.174 0.000 1.002 675 V CB 0.191 32.154 31.823 0.234 0.000 1.000 675 V HN 0.488 nan 8.190 nan 0.000 0.477 676 N N 3.440 122.202 118.700 0.104 0.000 2.331 676 N HA 0.051 4.791 4.740 -0.001 0.000 0.180 676 N C -0.295 175.198 175.510 -0.028 0.000 1.019 676 N CA 0.636 53.724 53.050 0.065 0.000 0.881 676 N CB 0.175 38.691 38.487 0.048 0.000 0.972 676 N HN 0.608 nan 8.380 nan 0.000 0.435 677 L N -2.278 118.899 121.223 -0.078 0.000 2.591 677 L HA 0.534 4.874 4.340 -0.001 0.000 0.257 677 L C -1.409 175.415 176.870 -0.075 0.000 0.935 677 L CA -1.464 53.198 54.840 -0.296 0.000 0.873 677 L CB 0.530 42.119 42.059 -0.783 0.000 1.397 677 L HN -0.113 nan 8.230 nan 0.000 0.414 678 F N -0.922 118.991 119.950 -0.062 0.000 2.588 678 F HA 1.032 5.559 4.527 -0.001 0.000 0.310 678 F C 0.217 176.091 175.800 0.122 0.000 1.082 678 F CA -0.856 57.178 58.000 0.056 0.000 0.929 678 F CB 1.700 40.788 39.000 0.148 0.000 1.254 678 F HN 0.799 nan 8.300 nan 0.000 0.455 679 G N 0.051 109.032 108.800 0.301 0.000 2.471 679 G HA2 0.503 4.463 3.960 -0.001 0.000 0.332 679 G HA3 0.503 4.463 3.960 -0.001 0.000 0.332 679 G C -2.286 172.867 174.900 0.422 0.000 1.176 679 G CA -0.805 44.483 45.100 0.313 0.000 0.949 679 G HN 1.084 nan 8.290 nan 0.000 0.488 680 H N -0.188 119.132 119.070 0.417 0.000 2.589 680 H HA 0.551 5.106 4.556 -0.001 0.000 0.335 680 H C -0.746 174.803 175.328 0.368 0.000 1.019 680 H CA -0.619 55.647 56.048 0.364 0.000 1.213 680 H CB 1.497 31.530 29.762 0.451 0.000 1.472 680 H HN 0.294 nan 8.280 nan 0.000 0.508 681 V N 5.077 124.828 119.914 -0.273 0.000 2.546 681 V HA 0.438 4.558 4.120 -0.001 0.000 0.284 681 V C 1.356 177.200 176.094 -0.417 0.000 1.050 681 V CA 0.117 62.303 62.300 -0.190 0.000 0.981 681 V CB 1.294 33.039 31.823 -0.130 0.000 0.990 681 V HN 0.999 nan 8.190 nan 0.000 0.474 682 G N 2.679 111.386 108.800 -0.154 0.000 2.588 682 G HA2 0.369 4.329 3.960 -0.001 0.000 0.281 682 G HA3 0.369 4.329 3.960 -0.001 0.000 0.281 682 G C 0.787 175.682 174.900 -0.007 0.000 1.236 682 G CA -0.032 45.023 45.100 -0.076 0.000 0.969 682 G HN 0.675 nan 8.290 nan 0.000 0.504 683 S N -1.304 114.419 115.700 0.039 0.000 2.456 683 S HA 0.127 4.596 4.470 -0.001 0.000 0.224 683 S C 1.139 175.764 174.600 0.042 0.000 1.035 683 S CA 0.948 59.175 58.200 0.045 0.000 0.940 683 S CB 0.146 63.383 63.200 0.061 0.000 0.799 683 S HN 0.990 nan 8.310 nan 0.000 0.508 684 T N -1.106 113.474 114.554 0.043 0.000 2.907 684 T HA 0.405 4.755 4.350 -0.001 0.000 0.292 684 T C 0.804 175.525 174.700 0.036 0.000 1.043 684 T CA -0.577 61.546 62.100 0.039 0.000 1.003 684 T CB 1.494 70.383 68.868 0.034 0.000 1.084 684 T HN -0.131 nan 8.240 nan 0.000 0.483 685 T N 1.562 116.138 114.554 0.036 0.000 2.759 685 T HA -0.107 4.243 4.350 -0.001 0.000 0.269 685 T C 2.388 177.093 174.700 0.007 0.000 1.042 685 T CA 1.701 63.821 62.100 0.032 0.000 1.140 685 T CB -0.764 68.121 68.868 0.028 0.000 0.864 685 T HN 0.850 nan 8.240 nan 0.000 0.455 686 A N 1.422 124.245 122.820 0.005 0.000 1.892 686 A HA -0.097 4.222 4.320 -0.001 0.000 0.218 686 A C 2.223 179.804 177.584 -0.005 0.000 1.188 686 A CA 1.804 53.838 52.037 -0.004 0.000 0.631 686 A CB -0.531 18.471 19.000 0.004 0.000 0.822 686 A HN 0.455 nan 8.150 nan 0.000 0.447 687 S N -0.480 115.227 115.700 0.012 0.000 2.573 687 S HA 0.128 4.598 4.470 -0.001 0.000 0.244 687 S C 1.275 175.886 174.600 0.019 0.000 0.984 687 S CA 0.052 58.265 58.200 0.021 0.000 1.001 687 S CB -0.065 63.163 63.200 0.047 0.000 0.788 687 S HN 0.732 nan 8.310 nan 0.000 0.456 688 R N 0.934 121.428 120.500 -0.010 0.000 2.285 688 R HA 0.034 4.374 4.340 -0.001 0.000 0.213 688 R C 1.301 177.535 176.300 -0.111 0.000 1.068 688 R CA 1.151 57.235 56.100 -0.027 0.000 1.004 688 R CB -0.432 29.855 30.300 -0.022 0.000 0.873 688 R HN 0.287 nan 8.270 nan 0.000 0.467 689 G N 0.975 109.698 108.800 -0.129 0.000 3.502 689 G HA2 -0.050 3.909 3.960 -0.001 0.000 0.267 689 G HA3 -0.050 3.909 3.960 -0.001 0.000 0.267 689 G C -0.485 174.439 174.900 0.040 0.000 1.090 689 G CA -0.497 44.462 45.100 -0.235 0.000 0.795 689 G HN 0.396 nan 8.290 nan 0.000 0.535 690 E N 1.411 121.679 120.200 0.113 0.000 2.052 690 E HA 0.332 4.682 4.350 -0.001 0.000 0.283 690 E C 0.542 177.287 176.600 0.242 0.000 1.071 690 E CA -0.600 55.897 56.400 0.160 0.000 0.851 690 E CB -0.055 29.728 29.700 0.139 0.000 1.066 690 E HN 0.196 nan 8.360 nan 0.000 0.396 691 L N 5.282 126.601 121.223 0.160 0.000 3.739 691 L HA -0.289 4.051 4.340 -0.001 0.000 0.442 691 L C 0.576 177.473 176.870 0.046 0.000 1.241 691 L CA 0.007 54.827 54.840 -0.034 0.000 0.819 691 L CB -1.932 40.127 42.059 -0.001 0.000 1.679 691 L HN 0.658 nan 8.230 nan 0.000 0.889 692 F N -0.818 119.102 119.950 -0.051 0.000 2.456 692 F HA 0.395 4.922 4.527 -0.001 0.000 0.298 692 F C 0.549 176.424 175.800 0.125 0.000 1.104 692 F CA 0.132 58.182 58.000 0.084 0.000 1.435 692 F CB 0.088 39.019 39.000 -0.116 0.000 1.078 692 F HN 0.112 nan 8.300 nan 0.000 0.546 693 L N 0.397 120.931 121.223 -1.148 0.000 2.438 693 L HA 0.570 4.910 4.340 -0.001 0.000 0.270 693 L C -1.757 174.588 176.870 -0.874 0.000 0.972 693 L CA -1.154 53.112 54.840 -0.958 0.000 0.831 693 L CB 1.523 42.772 42.059 -1.349 0.000 1.273 693 L HN -0.030 nan 8.230 nan 0.000 0.405 694 F N 3.095 122.647 119.950 -0.663 0.000 2.450 694 F HA 0.626 5.152 4.527 -0.001 0.000 0.332 694 F C -0.885 174.499 175.800 -0.693 0.000 1.093 694 F CA 0.048 57.646 58.000 -0.671 0.000 1.003 694 F CB 1.590 39.868 39.000 -1.203 0.000 1.151 694 F HN 0.376 nan 8.300 nan 0.000 0.474 695 W N 1.746 122.864 121.300 -0.304 0.000 2.656 695 W HA 0.379 5.038 4.660 -0.001 0.000 0.327 695 W C -0.438 175.952 176.519 -0.214 0.000 1.041 695 W CA -0.891 56.313 57.345 -0.235 0.000 1.229 695 W CB 1.331 30.686 29.460 -0.176 0.000 1.397 695 W HN 0.366 nan 8.180 nan 0.000 0.479 696 N N 3.383 122.106 118.700 0.038 0.000 2.800 696 N HA 0.302 5.041 4.740 -0.001 0.000 0.240 696 N C -0.502 175.052 175.510 0.073 0.000 1.096 696 N CA -0.200 52.870 53.050 0.033 0.000 0.877 696 N CB 0.570 39.111 38.487 0.091 0.000 1.138 696 N HN 0.334 nan 8.380 nan 0.000 0.509 697 L N 2.509 123.700 121.223 -0.053 0.000 2.586 697 L HA 0.333 4.673 4.340 -0.001 0.000 0.204 697 L C -0.201 176.518 176.870 -0.252 0.000 1.053 697 L CA 0.481 55.179 54.840 -0.237 0.000 0.856 697 L CB -0.735 40.994 42.059 -0.550 0.000 1.192 697 L HN 0.397 nan 8.230 nan 0.000 0.484 698 Y N 0.492 120.902 120.300 0.183 0.000 2.314 698 Y HA 0.133 4.683 4.550 -0.001 0.000 0.334 698 Y C 1.784 177.797 175.900 0.188 0.000 1.266 698 Y CA -0.279 57.926 58.100 0.175 0.000 1.391 698 Y CB 0.352 38.925 38.460 0.189 0.000 1.306 698 Y HN -0.044 nan 8.280 nan 0.000 0.558 699 K N 1.544 122.130 120.400 0.309 0.000 1.985 699 K HA -0.052 4.268 4.320 -0.001 0.000 0.210 699 K C 0.697 177.429 176.600 0.220 0.000 1.047 699 K CA 1.048 57.459 56.287 0.205 0.000 0.932 699 K CB -0.348 32.233 32.500 0.136 0.000 0.716 699 K HN 0.816 nan 8.250 nan 0.000 0.439 700 A N 1.655 124.621 122.820 0.244 0.000 2.466 700 A HA 0.176 4.496 4.320 -0.001 0.000 0.238 700 A C -2.259 175.586 177.584 0.434 0.000 1.074 700 A CA -1.017 51.178 52.037 0.263 0.000 0.774 700 A CB -0.232 18.900 19.000 0.221 0.000 1.015 700 A HN 0.222 nan 8.150 nan 0.000 0.498 701 P HA 0.188 nan 4.420 nan 0.000 0.257 701 P C -1.030 176.719 177.300 0.747 0.000 1.359 701 P CA 1.009 64.456 63.100 0.578 0.000 1.239 701 P CB -0.400 31.530 31.700 0.384 0.000 1.549 702 I N 2.873 123.848 120.570 0.675 0.000 2.619 702 I HA 0.399 4.569 4.170 -0.001 0.000 0.292 702 I C -0.270 175.949 176.117 0.169 0.000 1.100 702 I CA -0.888 60.648 61.300 0.393 0.000 1.043 702 I CB 2.346 40.576 38.000 0.384 0.000 1.239 702 I HN -0.060 nan 8.210 nan 0.000 0.420 703 L N 5.896 127.126 121.223 0.011 0.000 2.370 703 L HA 0.637 4.977 4.340 -0.001 0.000 0.266 703 L C -1.052 175.867 176.870 0.082 0.000 1.002 703 L CA -0.822 53.965 54.840 -0.089 0.000 0.818 703 L CB 2.522 44.436 42.059 -0.241 0.000 1.325 703 L HN 0.372 nan 8.230 nan 0.000 0.418 704 L N 1.960 123.262 121.223 0.131 0.000 2.341 704 L HA 0.743 5.083 4.340 -0.001 0.000 0.278 704 L C -0.290 176.614 176.870 0.057 0.000 1.005 704 L CA -0.605 54.292 54.840 0.095 0.000 0.818 704 L CB 2.001 44.075 42.059 0.026 0.000 1.259 704 L HN 0.657 nan 8.230 nan 0.000 0.418 705 A N 3.836 126.619 122.820 -0.062 0.000 2.303 705 A HA 0.777 5.096 4.320 -0.001 0.000 0.320 705 A C -0.979 176.459 177.584 -0.243 0.000 1.192 705 A CA -0.459 51.369 52.037 -0.348 0.000 0.821 705 A CB 1.028 19.874 19.000 -0.258 0.000 1.188 705 A HN 0.479 nan 8.150 nan 0.000 0.492 706 L N 2.251 123.272 121.223 -0.338 0.000 2.309 706 L HA 0.546 4.885 4.340 -0.001 0.000 0.282 706 L C -0.254 176.644 176.870 0.047 0.000 1.036 706 L CA -0.181 54.565 54.840 -0.157 0.000 0.806 706 L CB 1.891 43.765 42.059 -0.308 0.000 1.220 706 L HN 0.401 nan 8.230 nan 0.000 0.429 707 V N 3.212 123.211 119.914 0.141 0.000 2.305 707 V HA 0.788 4.907 4.120 -0.001 0.000 0.275 707 V C 0.185 176.374 176.094 0.159 0.000 1.020 707 V CA -0.521 61.873 62.300 0.157 0.000 0.811 707 V CB 0.882 32.760 31.823 0.090 0.000 1.031 707 V HN 0.887 nan 8.190 nan 0.000 0.439 708 A N 3.390 126.285 122.820 0.125 0.000 2.312 708 A HA 1.023 5.343 4.320 -0.001 0.000 0.310 708 A C 0.869 178.398 177.584 -0.093 0.000 1.139 708 A CA 0.120 52.167 52.037 0.016 0.000 0.886 708 A CB 0.899 19.884 19.000 -0.026 0.000 1.350 708 A HN 1.880 nan 8.150 nan 0.000 0.479 709 G N -0.302 108.428 108.800 -0.116 0.000 2.574 709 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.282 709 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.282 709 G C 0.713 175.563 174.900 -0.084 0.000 1.257 709 G CA 0.577 45.600 45.100 -0.129 0.000 0.956 709 G HN 0.805 nan 8.290 nan 0.000 0.560 710 E N -0.091 120.063 120.200 -0.076 0.000 2.108 710 E HA -0.283 4.067 4.350 -0.001 0.000 0.203 710 E C 3.039 179.625 176.600 -0.024 0.000 1.022 710 E CA 2.350 58.722 56.400 -0.046 0.000 0.823 710 E CB -0.862 28.814 29.700 -0.039 0.000 0.744 710 E HN 1.018 nan 8.360 nan 0.000 0.456 711 A N 1.653 124.462 122.820 -0.019 0.000 1.908 711 A HA -0.172 4.148 4.320 -0.001 0.000 0.218 711 A C 2.496 180.091 177.584 0.017 0.000 1.181 711 A CA 2.472 54.513 52.037 0.007 0.000 0.627 711 A CB -0.752 18.262 19.000 0.022 0.000 0.818 711 A HN 0.308 nan 8.150 nan 0.000 0.445 712 A N -0.587 122.241 122.820 0.013 0.000 1.881 712 A HA -0.086 4.234 4.320 -0.001 0.000 0.219 712 A C 2.469 180.072 177.584 0.032 0.000 1.215 712 A CA 2.593 54.649 52.037 0.032 0.000 0.648 712 A CB -1.561 17.448 19.000 0.016 0.000 0.832 712 A HN 0.855 nan 8.150 nan 0.000 0.455 713 G N -0.668 108.142 108.800 0.017 0.000 2.404 713 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.214 713 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.214 713 G C 1.563 176.474 174.900 0.017 0.000 1.189 713 G CA 0.926 46.038 45.100 0.020 0.000 0.789 713 G HN 0.476 nan 8.290 nan 0.000 0.533 714 I N 0.891 121.468 120.570 0.013 0.000 2.091 714 I HA -0.236 3.933 4.170 -0.001 0.000 0.239 714 I C 2.782 178.908 176.117 0.015 0.000 1.061 714 I CA 1.145 62.452 61.300 0.012 0.000 1.317 714 I CB -0.260 37.747 38.000 0.012 0.000 1.031 714 I HN 0.104 nan 8.210 nan 0.000 0.401 715 M N 0.095 119.708 119.600 0.021 0.000 2.419 715 M HA -0.226 4.254 4.480 -0.001 0.000 0.260 715 M C 1.868 178.177 176.300 0.015 0.000 1.073 715 M CA 1.519 56.833 55.300 0.023 0.000 1.056 715 M CB -1.284 31.336 32.600 0.034 0.000 1.394 715 M HN 0.338 nan 8.290 nan 0.000 0.444 716 E N -0.202 120.005 120.200 0.012 0.000 2.418 716 E HA -0.090 4.260 4.350 -0.001 0.000 0.197 716 E C 1.015 177.610 176.600 -0.008 0.000 1.026 716 E CA 0.415 56.815 56.400 0.000 0.000 0.862 716 E CB -0.176 29.526 29.700 0.003 0.000 0.799 716 E HN 0.685 nan 8.360 nan 0.000 0.518 717 N N 0.219 118.917 118.700 -0.002 0.000 2.336 717 N HA 0.066 4.806 4.740 -0.001 0.000 0.189 717 N C -0.572 174.936 175.510 -0.003 0.000 1.113 717 N CA -0.173 52.874 53.050 -0.005 0.000 0.858 717 N CB 0.498 38.985 38.487 -0.001 0.000 0.970 717 N HN -0.023 nan 8.380 nan 0.000 0.471 718 I N 0.736 121.306 120.570 -0.001 0.000 2.377 718 I HA 0.084 4.254 4.170 -0.001 0.000 0.293 718 I C 0.557 176.671 176.117 -0.006 0.000 0.987 718 I CA -0.916 60.385 61.300 0.001 0.000 1.185 718 I CB 1.515 39.521 38.000 0.010 0.000 1.341 718 I HN -0.039 nan 8.210 nan 0.000 0.455 719 S N 2.573 118.269 115.700 -0.007 0.000 2.566 719 S HA 0.037 4.506 4.470 -0.001 0.000 0.280 719 S C 0.621 175.212 174.600 -0.014 0.000 1.343 719 S CA -0.390 57.802 58.200 -0.013 0.000 1.036 719 S CB 0.462 63.656 63.200 -0.011 0.000 0.866 719 S HN 0.617 nan 8.310 nan 0.000 0.526 720 D N 1.355 121.740 120.400 -0.025 0.000 2.133 720 D HA -0.132 4.507 4.640 -0.001 0.000 0.195 720 D C 1.456 177.744 176.300 -0.020 0.000 0.997 720 D CA 1.838 55.819 54.000 -0.032 0.000 0.840 720 D CB -0.242 40.527 40.800 -0.051 0.000 0.947 720 D HN 0.652 nan 8.370 nan 0.000 0.452 721 D N 0.128 120.519 120.400 -0.015 0.000 2.103 721 D HA -0.139 4.500 4.640 -0.001 0.000 0.190 721 D C 2.300 178.604 176.300 0.006 0.000 0.997 721 D CA 1.075 55.072 54.000 -0.005 0.000 0.833 721 D CB -0.392 40.406 40.800 -0.004 0.000 0.961 721 D HN 0.127 nan 8.370 nan 0.000 0.447 722 V N 2.041 121.960 119.914 0.008 0.000 2.343 722 V HA -0.220 3.900 4.120 -0.001 0.000 0.247 722 V C 2.585 178.695 176.094 0.025 0.000 1.051 722 V CA 0.996 63.306 62.300 0.017 0.000 1.036 722 V CB -0.344 31.488 31.823 0.016 0.000 0.654 722 V HN 0.162 nan 8.190 nan 0.000 0.451 723 I N 0.264 120.846 120.570 0.020 0.000 2.099 723 I HA -0.206 3.964 4.170 -0.001 0.000 0.239 723 I C 2.504 178.646 176.117 0.042 0.000 1.066 723 I CA 1.679 62.996 61.300 0.029 0.000 1.324 723 I CB -1.272 36.736 38.000 0.013 0.000 1.037 723 I HN 0.182 nan 8.210 nan 0.000 0.401 724 V N 1.355 121.285 119.914 0.027 0.000 2.469 724 V HA -0.198 3.922 4.120 -0.001 0.000 0.251 724 V C 2.662 178.794 176.094 0.063 0.000 1.064 724 V CA 1.860 64.183 62.300 0.039 0.000 1.066 724 V CB -1.506 30.320 31.823 0.004 0.000 0.667 724 V HN 0.548 nan 8.190 nan 0.000 0.461 725 G N 0.204 109.033 108.800 0.048 0.000 2.433 725 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.216 725 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.216 725 G C 1.706 176.642 174.900 0.061 0.000 1.186 725 G CA 0.710 45.840 45.100 0.050 0.000 0.779 725 G HN 0.445 nan 8.290 nan 0.000 0.543 726 R N -0.608 119.930 120.500 0.063 0.000 2.127 726 R HA -0.076 4.263 4.340 -0.001 0.000 0.238 726 R C 2.645 179.002 176.300 0.096 0.000 1.134 726 R CA 1.141 57.284 56.100 0.071 0.000 0.975 726 R CB -0.752 29.592 30.300 0.073 0.000 0.865 726 R HN 0.385 nan 8.270 nan 0.000 0.447 727 C N 0.776 120.156 119.300 0.133 0.000 2.442 727 C HA -0.069 4.390 4.460 -0.001 0.000 0.279 727 C C 2.625 177.716 174.990 0.168 0.000 1.237 727 C CA 0.616 59.767 59.018 0.222 0.000 1.722 727 C CB -0.922 26.977 27.740 0.265 0.000 2.056 727 C HN 0.448 nan 8.230 nan 0.000 0.469 728 L N 1.205 122.516 121.223 0.146 0.000 2.051 728 L HA -0.258 4.082 4.340 -0.001 0.000 0.214 728 L C 2.876 179.770 176.870 0.039 0.000 1.076 728 L CA 1.876 56.784 54.840 0.112 0.000 0.758 728 L CB -1.040 41.080 42.059 0.102 0.000 0.890 728 L HN 0.408 nan 8.230 nan 0.000 0.433 729 A N 0.572 123.413 122.820 0.035 0.000 1.873 729 A HA -0.228 4.092 4.320 -0.001 0.000 0.218 729 A C 2.184 179.752 177.584 -0.026 0.000 1.193 729 A CA 1.888 53.929 52.037 0.006 0.000 0.629 729 A CB -0.636 18.376 19.000 0.020 0.000 0.826 729 A HN 0.297 nan 8.150 nan 0.000 0.447 730 I N -0.001 120.549 120.570 -0.034 0.000 2.151 730 I HA -0.230 3.939 4.170 -0.001 0.000 0.243 730 I C 2.475 178.503 176.117 -0.148 0.000 1.080 730 I CA 1.263 62.484 61.300 -0.131 0.000 1.339 730 I CB -1.389 36.537 38.000 -0.123 0.000 1.039 730 I HN 0.216 nan 8.210 nan 0.000 0.409 731 L N 0.756 121.915 121.223 -0.105 0.000 2.017 731 L HA -0.189 4.151 4.340 -0.001 0.000 0.208 731 L C 2.406 179.237 176.870 -0.064 0.000 1.073 731 L CA 1.766 56.567 54.840 -0.065 0.000 0.745 731 L CB -1.305 40.813 42.059 0.098 0.000 0.894 731 L HN 0.323 nan 8.230 nan 0.000 0.432 732 K N -0.604 119.748 120.400 -0.079 0.000 2.360 732 K HA -0.085 4.235 4.320 -0.001 0.000 0.201 732 K C 1.932 178.477 176.600 -0.091 0.000 1.046 732 K CA 0.920 57.151 56.287 -0.093 0.000 0.945 732 K CB -0.227 32.226 32.500 -0.079 0.000 0.750 732 K HN 0.410 nan 8.250 nan 0.000 0.464 733 G N 0.648 109.384 108.800 -0.107 0.000 2.603 733 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.214 733 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.214 733 G C 1.340 176.140 174.900 -0.167 0.000 1.140 733 G CA 0.019 45.061 45.100 -0.096 0.000 0.800 733 G HN 0.026 nan 8.290 nan 0.000 0.533 734 I N -0.105 120.263 120.570 -0.336 0.000 2.429 734 I HA 0.221 4.391 4.170 -0.001 0.000 0.247 734 I C 1.640 177.329 176.117 -0.714 0.000 1.099 734 I CA 0.642 61.528 61.300 -0.689 0.000 1.422 734 I CB -1.062 36.161 38.000 -1.295 0.000 1.112 734 I HN 0.063 nan 8.210 nan 0.000 0.430 735 F N 1.288 121.102 119.950 -0.228 0.000 2.695 735 F HA 0.519 5.046 4.527 -0.001 0.000 0.303 735 F C 1.276 176.987 175.800 -0.150 0.000 1.091 735 F CA -0.092 57.809 58.000 -0.165 0.000 1.300 735 F CB -0.466 38.465 39.000 -0.114 0.000 1.071 735 F HN 0.169 nan 8.300 nan 0.000 0.578 736 G N 1.111 109.894 108.800 -0.028 0.000 2.850 736 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.686 736 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.686 736 G C 0.232 175.088 174.900 -0.072 0.000 1.164 736 G CA -0.455 44.619 45.100 -0.043 0.000 0.826 736 G HN 0.529 nan 8.290 nan 0.000 0.586 737 S N 0.956 116.612 115.700 -0.074 0.000 2.658 737 S HA 0.531 5.001 4.470 -0.001 0.000 0.249 737 S C 1.916 176.457 174.600 -0.098 0.000 1.363 737 S CA 1.274 59.419 58.200 -0.091 0.000 0.964 737 S CB 0.847 64.011 63.200 -0.060 0.000 0.973 737 S HN 2.904 nan 8.310 nan 0.000 0.588 738 S N -2.074 113.567 115.700 -0.099 0.000 2.868 738 S HA -0.309 4.161 4.470 -0.001 0.000 0.270 738 S C 0.983 175.510 174.600 -0.122 0.000 1.300 738 S CA 1.483 59.630 58.200 -0.089 0.000 1.362 738 S CB -2.244 60.921 63.200 -0.059 0.000 1.685 738 S HN 2.042 nan 8.310 nan 0.000 0.682 739 A N -0.088 122.624 122.820 -0.180 0.000 2.259 739 A HA 0.687 5.007 4.320 -0.001 0.000 0.213 739 A C 0.610 177.889 177.584 -0.509 0.000 1.209 739 A CA 0.729 52.626 52.037 -0.234 0.000 0.910 739 A CB 0.759 19.663 19.000 -0.159 0.000 0.946 739 A HN 1.067 nan 8.150 nan 0.000 0.497 740 V N 3.940 123.503 119.914 -0.585 0.000 2.294 740 V HA 0.279 4.399 4.120 -0.001 0.000 0.272 740 V C -2.138 173.699 176.094 -0.427 0.000 1.027 740 V CA -1.576 60.155 62.300 -0.948 0.000 0.823 740 V CB 0.900 32.269 31.823 -0.757 0.000 1.030 740 V HN 0.363 nan 8.190 nan 0.000 0.457 741 P HA 0.228 nan 4.420 nan 0.000 0.277 741 P C -0.763 176.656 177.300 0.198 0.000 1.271 741 P CA -0.598 62.498 63.100 -0.007 0.000 0.795 741 P CB 0.893 32.632 31.700 0.065 0.000 1.101 742 Q N 0.359 120.279 119.800 0.201 0.000 2.286 742 Q HA 0.300 4.640 4.340 -0.001 0.000 0.257 742 Q C -2.017 174.149 176.000 0.276 0.000 0.941 742 Q CA -1.551 54.384 55.803 0.220 0.000 0.912 742 Q CB -0.290 28.516 28.738 0.114 0.000 1.192 742 Q HN 0.302 nan 8.270 nan 0.000 0.410 743 P HA 0.062 nan 4.420 nan 0.000 0.271 743 P C 0.088 177.355 177.300 -0.056 0.000 1.220 743 P CA 0.100 63.132 63.100 -0.114 0.000 0.768 743 P CB 0.597 32.102 31.700 -0.326 0.000 0.848 744 K N 1.447 121.813 120.400 -0.056 0.000 2.400 744 K HA 0.105 4.424 4.320 -0.001 0.000 0.194 744 K C 0.243 176.798 176.600 -0.075 0.000 1.033 744 K CA 0.616 56.892 56.287 -0.019 0.000 1.021 744 K CB 0.444 32.973 32.500 0.048 0.000 0.808 744 K HN 0.488 nan 8.250 nan 0.000 0.505 745 E N 1.028 121.119 120.200 -0.182 0.000 2.321 745 E HA 0.137 4.487 4.350 -0.001 0.000 0.281 745 E C -1.193 175.217 176.600 -0.317 0.000 0.910 745 E CA -0.303 55.969 56.400 -0.213 0.000 0.770 745 E CB 2.319 31.894 29.700 -0.209 0.000 1.225 745 E HN 0.119 nan 8.360 nan 0.000 0.417 746 T N -1.478 112.898 114.554 -0.297 0.000 2.921 746 T HA 0.669 5.019 4.350 -0.001 0.000 0.297 746 T C -0.520 173.977 174.700 -0.338 0.000 1.013 746 T CA -0.684 61.233 62.100 -0.307 0.000 0.990 746 T CB 1.312 70.061 68.868 -0.199 0.000 1.023 746 T HN 0.070 nan 8.240 nan 0.000 0.447 747 V N 2.782 122.471 119.914 -0.376 0.000 2.604 747 V HA 0.771 4.891 4.120 -0.001 0.000 0.305 747 V C -0.543 175.430 176.094 -0.201 0.000 1.043 747 V CA -0.799 61.294 62.300 -0.346 0.000 0.888 747 V CB 1.882 33.396 31.823 -0.514 0.000 0.995 747 V HN 0.934 nan 8.190 nan 0.000 0.429 748 V N 3.190 123.011 119.914 -0.154 0.000 2.638 748 V HA 0.601 4.721 4.120 -0.001 0.000 0.306 748 V C 0.084 176.106 176.094 -0.121 0.000 1.052 748 V CA -0.468 61.769 62.300 -0.104 0.000 0.885 748 V CB 2.329 34.105 31.823 -0.080 0.000 0.999 748 V HN 1.021 nan 8.190 nan 0.000 0.424 749 S N 4.522 120.163 115.700 -0.099 0.000 2.654 749 S HA 0.761 5.230 4.470 -0.001 0.000 0.283 749 S C -0.189 174.308 174.600 -0.172 0.000 1.180 749 S CA -0.858 57.214 58.200 -0.212 0.000 1.021 749 S CB 1.623 64.731 63.200 -0.153 0.000 1.018 749 S HN 0.707 nan 8.310 nan 0.000 0.532 750 R N 0.395 120.712 120.500 -0.305 0.000 2.570 750 R HA 0.152 4.492 4.340 -0.001 0.000 0.246 750 R C -0.536 175.684 176.300 -0.133 0.000 1.417 750 R CA -0.242 55.776 56.100 -0.138 0.000 1.525 750 R CB -0.189 30.043 30.300 -0.113 0.000 1.403 750 R HN 0.830 nan 8.270 nan 0.000 0.754 751 W N 0.528 121.842 121.300 0.024 0.000 2.341 751 W HA -0.208 4.451 4.660 -0.001 0.000 0.283 751 W C 2.287 178.835 176.519 0.049 0.000 1.215 751 W CA 0.963 58.336 57.345 0.045 0.000 1.211 751 W CB -0.098 29.390 29.460 0.048 0.000 1.131 751 W HN 0.264 nan 8.180 nan 0.000 0.552 752 R N 0.991 121.618 120.500 0.212 0.000 2.073 752 R HA -0.046 4.294 4.340 -0.001 0.000 0.229 752 R C 2.128 178.474 176.300 0.077 0.000 1.120 752 R CA 1.981 58.168 56.100 0.145 0.000 0.967 752 R CB -1.091 29.267 30.300 0.096 0.000 0.862 752 R HN 0.039 nan 8.270 nan 0.000 0.436 753 A N 0.430 123.262 122.820 0.019 0.000 1.968 753 A HA -0.057 4.263 4.320 -0.001 0.000 0.217 753 A C 0.622 178.157 177.584 -0.081 0.000 1.169 753 A CA 0.775 52.789 52.037 -0.038 0.000 0.638 753 A CB -0.648 18.316 19.000 -0.060 0.000 0.812 753 A HN 0.429 nan 8.150 nan 0.000 0.446 754 D N 0.754 121.111 120.400 -0.072 0.000 2.479 754 D HA -0.005 4.634 4.640 -0.001 0.000 0.257 754 D C -1.277 174.944 176.300 -0.132 0.000 1.230 754 D CA -1.089 52.843 54.000 -0.114 0.000 0.912 754 D CB 0.958 41.734 40.800 -0.039 0.000 1.130 754 D HN 0.203 nan 8.370 nan 0.000 0.515 755 P HA -0.124 nan 4.420 nan 0.000 0.222 755 P C 0.834 177.929 177.300 -0.343 0.000 1.147 755 P CA 1.010 63.801 63.100 -0.515 0.000 0.790 755 P CB -0.105 31.028 31.700 -0.944 0.000 0.780 756 W N -0.923 120.420 121.300 0.073 0.000 3.290 756 W HA 0.455 5.115 4.660 -0.001 0.000 0.287 756 W C 1.828 178.435 176.519 0.148 0.000 1.288 756 W CA -0.067 57.333 57.345 0.090 0.000 1.725 756 W CB 0.186 29.696 29.460 0.083 0.000 1.103 756 W HN 0.001 nan 8.180 nan 0.000 0.670 757 A N -0.249 122.780 122.820 0.349 0.000 1.852 757 A HA 0.235 4.555 4.320 -0.001 0.000 0.205 757 A C 1.401 179.219 177.584 0.390 0.000 1.757 757 A CA -0.109 52.176 52.037 0.415 0.000 1.088 757 A CB 0.186 19.546 19.000 0.600 0.000 1.079 757 A HN -0.021 nan 8.150 nan 0.000 0.524 758 R N -0.491 120.190 120.500 0.301 0.000 3.770 758 R HA -0.143 4.197 4.340 -0.001 0.000 0.305 758 R C 0.445 177.014 176.300 0.447 0.000 1.184 758 R CA 1.256 57.515 56.100 0.265 0.000 0.823 758 R CB -2.585 27.807 30.300 0.152 0.000 1.285 758 R HN 2.014 nan 8.270 nan 0.000 0.499 759 G N -2.741 106.335 108.800 0.459 0.000 2.368 759 G HA2 0.142 4.101 3.960 -0.001 0.000 0.302 759 G HA3 0.142 4.101 3.960 -0.001 0.000 0.302 759 G C 0.402 175.269 174.900 -0.056 0.000 1.329 759 G CA 0.269 45.474 45.100 0.175 0.000 0.935 759 G HN 0.252 nan 8.290 nan 0.000 0.590 760 S N -1.067 114.353 115.700 -0.467 0.000 2.370 760 S HA 0.563 5.033 4.470 -0.001 0.000 0.214 760 S C 0.626 174.978 174.600 -0.414 0.000 1.033 760 S CA 1.779 59.709 58.200 -0.451 0.000 0.941 760 S CB -0.180 62.733 63.200 -0.477 0.000 0.886 760 S HN 2.047 nan 8.310 nan 0.000 0.521 761 Y N 0.460 120.301 120.300 -0.766 0.000 2.662 761 Y HA 0.682 5.231 4.550 -0.001 0.000 0.334 761 Y C -0.225 175.489 175.900 -0.310 0.000 1.185 761 Y CA -1.453 56.360 58.100 -0.478 0.000 1.074 761 Y CB 0.242 38.607 38.460 -0.157 0.000 1.330 761 Y HN 0.268 nan 8.280 nan 0.000 0.458 762 S N 1.034 116.931 115.700 0.329 0.000 2.592 762 S HA 0.501 4.970 4.470 -0.001 0.000 0.256 762 S C -0.848 173.999 174.600 0.411 0.000 1.369 762 S CA 0.640 59.078 58.200 0.396 0.000 0.984 762 S CB 0.292 63.788 63.200 0.495 0.000 0.919 762 S HN 1.575 nan 8.310 nan 0.000 0.576 763 Y N -3.634 116.852 120.300 0.310 0.000 2.583 763 Y HA 0.496 5.046 4.550 -0.000 0.000 0.330 763 Y C -1.468 174.618 175.900 0.310 0.000 1.185 763 Y CA -1.624 56.648 58.100 0.287 0.000 1.107 763 Y CB 0.206 38.755 38.460 0.149 0.000 1.344 763 Y HN 0.449 nan 8.280 nan 0.000 0.463 764 V N 3.554 123.776 119.914 0.513 0.000 2.390 764 V HA 0.533 4.653 4.120 -0.001 0.000 0.260 764 V C 0.826 177.173 176.094 0.421 0.000 1.043 764 V CA 0.437 62.982 62.300 0.408 0.000 1.047 764 V CB -0.474 31.603 31.823 0.423 0.000 1.066 764 V HN 0.962 nan 8.190 nan 0.000 0.481 765 A N 4.858 127.812 122.820 0.223 0.000 2.302 765 A HA 0.762 5.081 4.320 -0.001 0.000 0.285 765 A C 0.814 178.519 177.584 0.200 0.000 1.105 765 A CA -0.093 52.113 52.037 0.282 0.000 0.816 765 A CB 0.555 19.630 19.000 0.125 0.000 1.067 765 A HN 1.308 nan 8.150 nan 0.000 0.489 766 A N 0.705 123.632 122.820 0.178 0.000 2.553 766 A HA 0.455 4.774 4.320 -0.001 0.000 0.258 766 A C 1.420 179.056 177.584 0.086 0.000 1.069 766 A CA 0.928 53.034 52.037 0.116 0.000 0.767 766 A CB -1.107 17.930 19.000 0.062 0.000 0.997 766 A HN 2.702 nan 8.150 nan 0.000 0.512 767 G N 0.797 109.654 108.800 0.095 0.000 2.175 767 G HA2 0.020 3.980 3.960 -0.001 0.000 0.182 767 G HA3 0.020 3.980 3.960 -0.001 0.000 0.182 767 G C 0.234 175.172 174.900 0.064 0.000 1.003 767 G CA 0.498 45.637 45.100 0.065 0.000 0.666 767 G HN 1.730 nan 8.290 nan 0.000 0.506 768 S N -1.072 114.688 115.700 0.100 0.000 2.806 768 S HA 0.956 5.426 4.470 -0.001 0.000 0.306 768 S C -0.065 174.582 174.600 0.080 0.000 1.167 768 S CA 1.117 59.351 58.200 0.057 0.000 0.847 768 S CB 1.901 65.110 63.200 0.016 0.000 1.216 768 S HN 1.960 nan 8.310 nan 0.000 0.532 769 S N -0.836 114.853 115.700 -0.017 0.000 2.655 769 S HA 0.505 4.975 4.470 -0.001 0.000 0.266 769 S C 0.866 175.476 174.600 0.015 0.000 1.149 769 S CA -0.180 57.911 58.200 -0.182 0.000 0.818 769 S CB 0.435 63.277 63.200 -0.597 0.000 1.130 769 S HN 1.249 nan 8.310 nan 0.000 0.476 770 G N 0.487 109.282 108.800 -0.009 0.000 2.498 770 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.219 770 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.219 770 G C 0.955 175.925 174.900 0.117 0.000 1.119 770 G CA 0.867 46.062 45.100 0.160 0.000 0.766 770 G HN 0.836 nan 8.290 nan 0.000 0.552 771 N N 0.194 118.889 118.700 -0.009 0.000 2.223 771 N HA -0.123 4.616 4.740 -0.001 0.000 0.185 771 N C 1.313 176.818 175.510 -0.008 0.000 1.016 771 N CA 1.059 54.096 53.050 -0.022 0.000 0.863 771 N CB 0.004 38.456 38.487 -0.059 0.000 0.983 771 N HN 0.170 nan 8.380 nan 0.000 0.429 772 D N -0.689 119.693 120.400 -0.030 0.000 2.269 772 D HA -0.093 4.547 4.640 -0.001 0.000 0.208 772 D C 0.763 176.973 176.300 -0.149 0.000 0.963 772 D CA 0.778 54.714 54.000 -0.107 0.000 0.864 772 D CB -0.118 40.568 40.800 -0.191 0.000 0.936 772 D HN 0.399 nan 8.370 nan 0.000 0.505 773 Y N 0.680 120.952 120.300 -0.047 0.000 2.632 773 Y HA -0.016 4.534 4.550 -0.000 0.000 0.301 773 Y C 1.465 177.329 175.900 -0.060 0.000 1.172 773 Y CA 0.558 58.628 58.100 -0.050 0.000 1.328 773 Y CB 0.288 38.716 38.460 -0.053 0.000 1.016 773 Y HN -0.036 nan 8.280 nan 0.000 0.529 774 D N -1.141 119.294 120.400 0.059 0.000 2.463 774 D HA 0.037 4.677 4.640 -0.001 0.000 0.237 774 D C 2.072 178.380 176.300 0.013 0.000 1.013 774 D CA 0.384 54.398 54.000 0.023 0.000 0.910 774 D CB -0.100 40.702 40.800 0.003 0.000 1.080 774 D HN 0.291 nan 8.370 nan 0.000 0.498 775 L N 0.693 121.927 121.223 0.018 0.000 2.131 775 L HA -0.124 4.216 4.340 -0.001 0.000 0.210 775 L C 2.472 179.384 176.870 0.070 0.000 1.092 775 L CA 0.709 55.614 54.840 0.109 0.000 0.759 775 L CB -0.242 41.896 42.059 0.133 0.000 0.903 775 L HN 0.020 nan 8.230 nan 0.000 0.435 776 M N -0.610 118.946 119.600 -0.073 0.000 2.099 776 M HA -0.131 4.349 4.480 -0.001 0.000 0.262 776 M C 2.594 178.796 176.300 -0.163 0.000 1.067 776 M CA 1.904 57.080 55.300 -0.207 0.000 1.124 776 M CB -1.156 31.329 32.600 -0.193 0.000 1.353 776 M HN 0.278 nan 8.290 nan 0.000 0.410 777 A N -0.541 122.257 122.820 -0.037 0.000 1.969 777 A HA -0.096 4.223 4.320 -0.001 0.000 0.218 777 A C 1.289 178.934 177.584 0.101 0.000 1.169 777 A CA 0.643 52.709 52.037 0.048 0.000 0.635 777 A CB -0.523 18.503 19.000 0.044 0.000 0.810 777 A HN 0.441 nan 8.150 nan 0.000 0.445 778 Q N 0.529 120.379 119.800 0.083 0.000 2.264 778 Q HA 0.074 4.413 4.340 -0.001 0.000 0.296 778 Q C -2.390 173.720 176.000 0.183 0.000 1.103 778 Q CA -0.877 55.000 55.803 0.124 0.000 0.967 778 Q CB 0.073 28.904 28.738 0.154 0.000 1.090 778 Q HN 0.294 nan 8.270 nan 0.000 0.379 779 P HA 0.145 nan 4.420 nan 0.000 0.274 779 P C -0.487 176.828 177.300 0.024 0.000 1.231 779 P CA -0.397 62.680 63.100 -0.038 0.000 0.790 779 P CB 0.585 32.030 31.700 -0.425 0.000 0.951 780 I N 1.193 121.743 120.570 -0.034 0.000 2.353 780 I HA 0.383 4.552 4.170 -0.001 0.000 0.293 780 I C 0.627 176.719 176.117 -0.042 0.000 0.992 780 I CA 0.381 61.682 61.300 0.002 0.000 1.268 780 I CB 1.117 39.024 38.000 -0.155 0.000 1.387 780 I HN 0.171 nan 8.210 nan 0.000 0.478 781 T N 6.505 121.104 114.554 0.074 0.000 2.879 781 T HA 0.671 5.021 4.350 -0.001 0.000 0.290 781 T C -2.442 172.348 174.700 0.151 0.000 0.993 781 T CA -1.418 60.731 62.100 0.082 0.000 0.975 781 T CB 1.010 69.890 68.868 0.019 0.000 0.981 781 T HN 0.279 nan 8.240 nan 0.000 0.439 793 I N 1.405 121.984 120.570 0.015 0.000 2.710 793 I HA 0.417 4.586 4.170 -0.001 0.000 0.290 793 I C -3.030 173.096 176.117 0.015 0.000 1.318 793 I CA -2.170 59.125 61.300 -0.009 0.000 1.045 793 I CB 3.128 41.103 38.000 -0.043 0.000 1.307 793 I HN -0.327 nan 8.210 nan 0.000 0.424 794 P HA 0.119 nan 4.420 nan 0.000 0.260 794 P C -0.616 176.690 177.300 0.011 0.000 1.185 794 P CA 0.301 63.333 63.100 -0.113 0.000 0.763 794 P CB 0.636 32.214 31.700 -0.204 0.000 0.776 795 R N 3.230 123.721 120.500 -0.015 0.000 2.167 795 R HA 0.287 4.626 4.340 -0.001 0.000 0.195 795 R C 0.054 176.431 176.300 0.128 0.000 1.027 795 R CA 0.284 56.512 56.100 0.214 0.000 1.114 795 R CB -0.419 30.033 30.300 0.254 0.000 1.075 795 R HN 0.293 nan 8.270 nan 0.000 0.538 796 L N 1.657 122.768 121.223 -0.187 0.000 2.264 796 L HA 0.493 4.833 4.340 -0.001 0.000 0.289 796 L C -1.362 175.297 176.870 -0.351 0.000 1.044 796 L CA -0.190 54.512 54.840 -0.231 0.000 0.807 796 L CB 0.661 42.452 42.059 -0.447 0.000 1.192 796 L HN -0.073 nan 8.230 nan 0.000 0.425 797 F N 4.544 124.374 119.950 -0.200 0.000 2.538 797 F HA 0.646 5.173 4.527 -0.000 0.000 0.325 797 F C -0.483 175.126 175.800 -0.318 0.000 1.066 797 F CA -0.546 57.406 58.000 -0.080 0.000 0.946 797 F CB 1.489 40.483 39.000 -0.010 0.000 1.199 797 F HN 0.189 nan 8.300 nan 0.000 0.473 798 F N 0.867 120.903 119.950 0.143 0.000 2.563 798 F HA 0.819 5.345 4.527 -0.001 0.000 0.316 798 F C -0.067 175.749 175.800 0.026 0.000 1.076 798 F CA -0.939 57.093 58.000 0.053 0.000 0.921 798 F CB 1.959 40.943 39.000 -0.026 0.000 1.209 798 F HN 0.595 nan 8.300 nan 0.000 0.462 799 A N 1.129 124.045 122.820 0.159 0.000 2.587 799 A HA 0.968 5.287 4.320 -0.001 0.000 0.293 799 A C -0.517 177.090 177.584 0.038 0.000 1.087 799 A CA -0.245 51.832 52.037 0.066 0.000 0.692 799 A CB 1.785 20.821 19.000 0.059 0.000 1.291 799 A HN 1.653 nan 8.150 nan 0.000 0.407 800 G N 0.099 108.903 108.800 0.007 0.000 2.333 800 G HA2 0.480 4.440 3.960 -0.001 0.000 0.330 800 G HA3 0.480 4.440 3.960 -0.001 0.000 0.330 800 G C -0.092 174.864 174.900 0.095 0.000 1.465 800 G CA 0.434 45.596 45.100 0.103 0.000 0.996 800 G HN 1.719 nan 8.290 nan 0.000 0.655 801 E N -0.221 120.111 120.200 0.220 0.000 2.455 801 E HA -0.178 4.171 4.350 -0.001 0.000 0.202 801 E C 1.387 178.173 176.600 0.310 0.000 1.045 801 E CA 2.236 58.752 56.400 0.194 0.000 0.872 801 E CB -0.346 29.456 29.700 0.170 0.000 0.792 801 E HN 0.844 nan 8.360 nan 0.000 0.542 802 H N -0.954 118.246 119.070 0.215 0.000 2.542 802 H HA 0.307 4.862 4.556 -0.001 0.000 0.283 802 H C 0.580 176.029 175.328 0.202 0.000 1.059 802 H CA 0.790 56.987 56.048 0.249 0.000 1.162 802 H CB -0.085 29.748 29.762 0.118 0.000 1.539 802 H HN 0.286 nan 8.280 nan 0.000 0.543 803 T N -2.359 112.119 114.554 -0.125 0.000 2.975 803 T HA 0.211 4.560 4.350 -0.001 0.000 0.261 803 T C 0.595 175.318 174.700 0.039 0.000 0.984 803 T CA -0.278 61.761 62.100 -0.103 0.000 0.911 803 T CB 0.267 69.013 68.868 -0.203 0.000 1.127 803 T HN 0.103 nan 8.240 nan 0.000 0.514 804 I N 3.507 124.112 120.570 0.059 0.000 2.287 804 I HA 0.452 4.621 4.170 -0.001 0.000 0.290 804 I C 1.321 177.398 176.117 -0.065 0.000 1.069 804 I CA -0.867 60.443 61.300 0.017 0.000 1.237 804 I CB 1.008 39.031 38.000 0.038 0.000 1.418 804 I HN 0.212 nan 8.210 nan 0.000 0.481 805 R N 5.848 126.286 120.500 -0.103 0.000 2.080 805 R HA -0.147 4.192 4.340 -0.001 0.000 0.236 805 R C 1.063 177.076 176.300 -0.478 0.000 1.137 805 R CA 1.840 57.786 56.100 -0.257 0.000 0.943 805 R CB 0.169 30.389 30.300 -0.132 0.000 0.846 805 R HN 0.653 nan 8.270 nan 0.000 0.431 806 N N -0.614 117.705 118.700 -0.635 0.000 2.457 806 N HA -0.114 4.626 4.740 -0.001 0.000 0.180 806 N C -0.257 174.552 175.510 -1.169 0.000 1.050 806 N CA 0.920 53.255 53.050 -1.193 0.000 0.906 806 N CB 0.309 37.532 38.487 -2.107 0.000 0.968 806 N HN 0.327 nan 8.380 nan 0.000 0.445 807 Y N 0.155 120.268 120.300 -0.311 0.000 2.555 807 Y HA 0.336 4.885 4.550 -0.001 0.000 0.317 807 Y C -2.325 173.435 175.900 -0.233 0.000 0.928 807 Y CA -2.261 55.712 58.100 -0.211 0.000 1.116 807 Y CB 0.764 39.164 38.460 -0.101 0.000 1.169 807 Y HN -0.059 nan 8.280 nan 0.000 0.627 808 P HA 0.157 nan 4.420 nan 0.000 0.274 808 P C 0.394 177.657 177.300 -0.061 0.000 1.237 808 P CA 0.453 63.470 63.100 -0.138 0.000 0.793 808 P CB 1.554 33.008 31.700 -0.410 0.000 0.977 809 A N 0.372 123.218 122.820 0.044 0.000 2.560 809 A HA -0.105 4.215 4.320 -0.001 0.000 0.299 809 A C 0.460 177.890 177.584 -0.256 0.000 1.484 809 A CA 1.407 53.436 52.037 -0.013 0.000 0.749 809 A CB -2.760 16.325 19.000 0.143 0.000 1.072 809 A HN 0.882 nan 8.150 nan 0.000 0.426 810 T N -4.773 109.637 114.554 -0.240 0.000 2.868 810 T HA 0.591 4.940 4.350 -0.001 0.000 0.306 810 T C 0.767 175.302 174.700 -0.275 0.000 1.224 810 T CA -0.214 61.686 62.100 -0.334 0.000 1.012 810 T CB 1.479 69.989 68.868 -0.597 0.000 1.221 810 T HN 0.820 nan 8.240 nan 0.000 0.499 811 V N 1.741 121.555 119.914 -0.165 0.000 2.343 811 V HA -0.200 3.920 4.120 -0.001 0.000 0.247 811 V C 2.744 178.825 176.094 -0.022 0.000 1.051 811 V CA 2.206 64.450 62.300 -0.092 0.000 1.036 811 V CB -1.246 30.538 31.823 -0.066 0.000 0.654 811 V HN 1.054 nan 8.190 nan 0.000 0.451 812 H N 0.075 119.180 119.070 0.058 0.000 2.428 812 H HA 0.024 4.579 4.556 -0.001 0.000 0.296 812 H C 2.372 177.708 175.328 0.013 0.000 1.062 812 H CA 1.544 57.620 56.048 0.046 0.000 1.350 812 H CB -0.799 29.011 29.762 0.079 0.000 1.403 812 H HN 0.365 nan 8.280 nan 0.000 0.533 813 G N 1.160 109.666 108.800 -0.491 0.000 2.446 813 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.217 813 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.217 813 G C 2.027 176.889 174.900 -0.065 0.000 1.168 813 G CA 1.647 46.628 45.100 -0.199 0.000 0.771 813 G HN 0.635 nan 8.290 nan 0.000 0.551 814 A N 0.251 123.030 122.820 -0.069 0.000 1.933 814 A HA 0.093 4.413 4.320 -0.001 0.000 0.218 814 A C 2.348 179.935 177.584 0.004 0.000 1.175 814 A CA 1.655 53.687 52.037 -0.007 0.000 0.628 814 A CB -0.418 18.581 19.000 -0.003 0.000 0.814 814 A HN 0.424 nan 8.150 nan 0.000 0.444 815 L N 0.011 121.238 121.223 0.006 0.000 1.989 815 L HA -0.143 4.196 4.340 -0.001 0.000 0.211 815 L C 2.338 179.211 176.870 0.004 0.000 1.071 815 L CA 1.863 56.721 54.840 0.030 0.000 0.749 815 L CB -0.572 41.532 42.059 0.075 0.000 0.890 815 L HN 0.418 nan 8.230 nan 0.000 0.431 816 L N -0.597 120.615 121.223 -0.019 0.000 2.042 816 L HA -0.215 4.125 4.340 -0.001 0.000 0.210 816 L C 2.671 179.532 176.870 -0.015 0.000 1.076 816 L CA 1.523 56.333 54.840 -0.050 0.000 0.749 816 L CB -1.017 41.000 42.059 -0.070 0.000 0.893 816 L HN 0.537 nan 8.230 nan 0.000 0.432 817 S N -0.150 115.555 115.700 0.008 0.000 2.419 817 S HA -0.116 4.354 4.470 -0.001 0.000 0.233 817 S C 2.018 176.631 174.600 0.022 0.000 1.016 817 S CA 0.952 59.164 58.200 0.020 0.000 0.974 817 S CB -0.897 62.315 63.200 0.020 0.000 0.786 817 S HN 0.452 nan 8.310 nan 0.000 0.492 818 G N 2.193 111.002 108.800 0.014 0.000 2.404 818 G HA2 0.022 3.981 3.960 -0.001 0.000 0.214 818 G HA3 0.022 3.981 3.960 -0.001 0.000 0.214 818 G C 1.444 176.350 174.900 0.010 0.000 1.189 818 G CA 0.774 45.883 45.100 0.014 0.000 0.789 818 G HN 0.507 nan 8.290 nan 0.000 0.533 819 L N 0.129 121.348 121.223 -0.006 0.000 2.131 819 L HA -0.052 4.288 4.340 -0.001 0.000 0.210 819 L C 2.880 179.757 176.870 0.012 0.000 1.092 819 L CA 1.109 55.939 54.840 -0.016 0.000 0.759 819 L CB -0.431 41.566 42.059 -0.102 0.000 0.903 819 L HN 0.214 nan 8.230 nan 0.000 0.435 820 R N 0.529 121.037 120.500 0.014 0.000 2.075 820 R HA -0.176 4.164 4.340 -0.001 0.000 0.230 820 R C 2.218 178.556 176.300 0.063 0.000 1.140 820 R CA 1.658 57.783 56.100 0.041 0.000 0.928 820 R CB -0.099 30.223 30.300 0.037 0.000 0.834 820 R HN 0.241 nan 8.270 nan 0.000 0.429 821 E N 0.500 120.735 120.200 0.059 0.000 2.160 821 E HA -0.181 4.169 4.350 -0.001 0.000 0.195 821 E C 1.875 178.467 176.600 -0.014 0.000 0.991 821 E CA 1.174 57.608 56.400 0.058 0.000 0.810 821 E CB -0.341 29.398 29.700 0.065 0.000 0.742 821 E HN 0.501 nan 8.360 nan 0.000 0.466 822 A N 1.250 124.078 122.820 0.013 0.000 1.873 822 A HA -0.158 4.162 4.320 -0.001 0.000 0.218 822 A C 2.538 180.150 177.584 0.048 0.000 1.193 822 A CA 2.308 54.379 52.037 0.056 0.000 0.629 822 A CB -1.247 17.833 19.000 0.133 0.000 0.826 822 A HN 0.362 nan 8.150 nan 0.000 0.447 823 G N -0.956 107.859 108.800 0.026 0.000 2.402 823 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.216 823 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.216 823 G C 1.706 176.557 174.900 -0.082 0.000 1.162 823 G CA 1.073 46.102 45.100 -0.119 0.000 0.777 823 G HN 0.606 nan 8.290 nan 0.000 0.539 824 R N 0.181 120.695 120.500 0.023 0.000 2.096 824 R HA -0.077 4.263 4.340 -0.001 0.000 0.240 824 R C 2.496 178.828 176.300 0.054 0.000 1.139 824 R CA 1.675 57.828 56.100 0.088 0.000 0.952 824 R CB -0.376 30.034 30.300 0.183 0.000 0.854 824 R HN 0.435 nan 8.270 nan 0.000 0.436 825 I N 0.559 121.056 120.570 -0.122 0.000 2.252 825 I HA -0.185 3.984 4.170 -0.001 0.000 0.245 825 I C 2.626 178.752 176.117 0.014 0.000 1.102 825 I CA 1.058 62.222 61.300 -0.226 0.000 1.385 825 I CB -0.466 37.192 38.000 -0.570 0.000 1.064 825 I HN 0.321 nan 8.210 nan 0.000 0.414 826 A N 0.775 123.537 122.820 -0.096 0.000 1.948 826 A HA -0.260 4.060 4.320 -0.001 0.000 0.220 826 A C 1.951 179.469 177.584 -0.110 0.000 1.177 826 A CA 2.178 54.118 52.037 -0.161 0.000 0.636 826 A CB -0.598 18.112 19.000 -0.484 0.000 0.815 826 A HN 0.392 nan 8.150 nan 0.000 0.449 827 D N -0.649 119.693 120.400 -0.097 0.000 2.117 827 D HA -0.115 4.525 4.640 -0.001 0.000 0.198 827 D C 2.010 178.290 176.300 -0.033 0.000 0.982 827 D CA 1.061 55.020 54.000 -0.069 0.000 0.828 827 D CB -0.336 40.441 40.800 -0.038 0.000 0.967 827 D HN 0.395 nan 8.370 nan 0.000 0.464 828 Q N -0.683 119.124 119.800 0.011 0.000 2.291 828 Q HA -0.059 4.281 4.340 -0.001 0.000 0.205 828 Q C 1.533 177.308 176.000 -0.375 0.000 0.970 828 Q CA 0.845 56.578 55.803 -0.116 0.000 0.876 828 Q CB -0.004 28.741 28.738 0.012 0.000 0.935 828 Q HN 0.407 nan 8.270 nan 0.000 0.455 829 F N -2.254 117.683 119.950 -0.023 0.000 2.740 829 F HA 0.075 4.601 4.527 -0.001 0.000 0.304 829 F C 1.412 177.189 175.800 -0.038 0.000 1.098 829 F CA -0.017 57.970 58.000 -0.021 0.000 1.258 829 F CB 0.508 39.491 39.000 -0.028 0.000 1.061 829 F HN -0.065 nan 8.300 nan 0.000 0.598 830 L N -0.750 120.524 121.223 0.084 0.000 2.609 830 L HA 0.480 4.820 4.340 -0.001 0.000 0.230 830 L C 1.301 178.150 176.870 -0.034 0.000 1.064 830 L CA 0.586 55.433 54.840 0.012 0.000 0.873 830 L CB -0.673 41.365 42.059 -0.035 0.000 1.139 830 L HN 0.109 nan 8.230 nan 0.000 0.490 831 G N 0.000 108.766 108.800 -0.057 0.000 5.446 831 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 831 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 831 G CA 0.000 45.061 45.100 -0.065 0.000 0.502 831 G HN 0.000 nan 8.290 nan 0.000 0.925