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 2h94_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 YKEASXXXXX DATA SEQUENCE XXXTAEFLVK 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 PGXXXXXXXX XIPRLFFAGE HTIRNYPATV HGALLSGLRE DATA SEQUENCE AGRIADQFLG AMYT 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 0.000 174.586 174.600 -0.023 0.000 1.055 172 S CA 0.000 58.187 58.200 -0.021 0.000 1.107 172 S CB 0.000 63.205 63.200 0.009 0.000 0.593 173 G N 0.497 109.292 108.800 -0.008 0.000 2.559 173 G HA2 0.267 4.227 3.960 -0.000 0.000 0.209 173 G HA3 0.267 4.227 3.960 -0.000 0.000 0.209 173 G C 1.255 176.142 174.900 -0.022 0.000 1.151 173 G CA 0.927 46.019 45.100 -0.014 0.000 0.824 173 G HN 0.664 nan 8.290 nan 0.000 0.543 174 V N 2.105 122.007 119.914 -0.020 0.000 2.427 174 V HA -0.134 3.986 4.120 -0.000 0.000 0.248 174 V C 2.628 178.699 176.094 -0.039 0.000 1.051 174 V CA 2.193 64.455 62.300 -0.062 0.000 1.048 174 V CB -0.378 31.399 31.823 -0.076 0.000 0.666 174 V HN 0.676 nan 8.190 nan 0.000 0.456 175 E N 0.359 120.556 120.200 -0.005 0.000 2.481 175 E HA 0.017 4.367 4.350 -0.000 0.000 0.195 175 E C 2.137 178.717 176.600 -0.034 0.000 1.047 175 E CA 0.861 57.255 56.400 -0.011 0.000 0.867 175 E CB -0.257 29.394 29.700 -0.081 0.000 0.858 175 E HN 0.546 nan 8.360 nan 0.000 0.513 176 G N 2.163 110.956 108.800 -0.013 0.000 2.404 176 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.214 176 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.214 176 G C 1.805 176.762 174.900 0.096 0.000 1.189 176 G CA 0.774 45.897 45.100 0.038 0.000 0.789 176 G HN 0.361 nan 8.290 nan 0.000 0.533 177 A N 1.377 124.219 122.820 0.036 0.000 1.917 177 A HA 0.084 4.404 4.320 -0.000 0.000 0.219 177 A C 2.808 180.421 177.584 0.048 0.000 1.182 177 A CA 2.577 54.630 52.037 0.027 0.000 0.633 177 A CB -0.891 18.101 19.000 -0.012 0.000 0.819 177 A HN 0.889 nan 8.150 nan 0.000 0.448 178 A N -1.217 121.640 122.820 0.062 0.000 1.908 178 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 178 A C 2.060 179.722 177.584 0.129 0.000 1.181 178 A CA 1.801 53.892 52.037 0.090 0.000 0.627 178 A CB -0.732 18.351 19.000 0.139 0.000 0.818 178 A HN 0.820 nan 8.150 nan 0.000 0.445 179 F N 0.466 120.424 119.950 0.014 0.000 2.186 179 F HA -0.116 4.411 4.527 -0.000 0.000 0.299 179 F C 2.156 177.968 175.800 0.021 0.000 1.090 179 F CA 2.053 60.066 58.000 0.022 0.000 1.307 179 F CB -0.319 38.675 39.000 -0.011 0.000 1.019 179 F HN 0.306 nan 8.300 nan 0.000 0.489 180 Q N 0.127 119.844 119.800 -0.138 0.000 2.488 180 Q HA -0.000 4.340 4.340 -0.000 0.000 0.211 180 Q C 1.231 177.126 176.000 -0.175 0.000 0.967 180 Q CA 1.272 56.930 55.803 -0.241 0.000 0.926 180 Q CB -0.406 28.289 28.738 -0.071 0.000 0.992 180 Q HN 0.307 nan 8.270 nan 0.000 0.506 181 S N -0.222 115.423 115.700 -0.092 0.000 2.568 181 S HA 0.269 4.739 4.470 -0.000 0.000 0.232 181 S C -0.411 174.168 174.600 -0.034 0.000 0.975 181 S CA -0.316 57.864 58.200 -0.034 0.000 0.949 181 S CB 0.195 63.410 63.200 0.024 0.000 0.829 181 S HN 0.435 nan 8.310 nan 0.000 0.479 182 R N 0.643 121.096 120.500 -0.078 0.000 3.422 182 R HA -0.154 4.186 4.340 -0.000 0.000 0.267 182 R C -1.190 175.168 176.300 0.097 0.000 1.074 182 R CA 0.485 56.598 56.100 0.022 0.000 0.718 182 R CB -2.116 28.249 30.300 0.108 0.000 1.157 182 R HN 0.351 nan 8.270 nan 0.000 0.440 183 L N -0.388 120.892 121.223 0.095 0.000 2.386 183 L HA 0.514 4.854 4.340 -0.000 0.000 0.271 183 L C -2.254 174.710 176.870 0.156 0.000 0.993 183 L CA -2.493 52.417 54.840 0.116 0.000 0.819 183 L CB 2.141 44.249 42.059 0.082 0.000 1.294 183 L HN -0.256 nan 8.230 nan 0.000 0.414 184 P HA -0.006 nan 4.420 nan 0.000 0.267 184 P C 0.178 177.573 177.300 0.159 0.000 1.209 184 P CA -0.030 63.170 63.100 0.167 0.000 0.763 184 P CB 0.337 32.101 31.700 0.106 0.000 0.816 185 H N 3.215 122.325 119.070 0.067 0.000 2.395 185 H HA -0.107 4.449 4.556 -0.000 0.000 0.299 185 H C 0.573 175.922 175.328 0.034 0.000 1.070 185 H CA 2.015 58.087 56.048 0.041 0.000 1.356 185 H CB -0.600 29.188 29.762 0.043 0.000 1.401 185 H HN 0.362 nan 8.280 nan 0.000 0.524 186 D N -0.379 119.611 120.400 -0.683 0.000 2.349 186 D HA 0.113 4.753 4.640 -0.000 0.000 0.214 186 D C 1.104 177.307 176.300 -0.161 0.000 1.063 186 D CA -0.302 53.428 54.000 -0.449 0.000 0.847 186 D CB 0.462 40.926 40.800 -0.560 0.000 0.933 186 D HN 0.139 nan 8.370 nan 0.000 0.513 187 R N -0.480 119.967 120.500 -0.089 0.000 2.893 187 R HA 0.649 4.989 4.340 -0.000 0.000 0.245 187 R C -0.807 175.510 176.300 0.027 0.000 1.192 187 R CA -0.929 55.163 56.100 -0.015 0.000 1.077 187 R CB 1.310 31.612 30.300 0.005 0.000 1.253 187 R HN 0.051 nan 8.270 nan 0.000 0.505 188 M N 0.887 120.508 119.600 0.034 0.000 2.253 188 M HA 0.245 4.725 4.480 -0.000 0.000 0.314 188 M C -0.525 175.793 176.300 0.030 0.000 1.019 188 M CA -0.542 54.785 55.300 0.044 0.000 0.932 188 M CB 2.332 34.935 32.600 0.005 0.000 1.606 188 M HN 0.622 nan 8.290 nan 0.000 0.430 189 T N 1.380 115.960 114.554 0.044 0.000 2.855 189 T HA -0.002 4.348 4.350 -0.000 0.000 0.322 189 T C 1.277 176.002 174.700 0.043 0.000 1.088 189 T CA 0.022 62.158 62.100 0.059 0.000 1.104 189 T CB 0.696 69.619 68.868 0.091 0.000 0.996 189 T HN 0.753 nan 8.240 nan 0.000 0.549 190 S N 1.222 116.957 115.700 0.059 0.000 2.368 190 S HA -0.156 4.314 4.470 -0.000 0.000 0.225 190 S C 2.163 176.802 174.600 0.064 0.000 1.030 190 S CA 1.111 59.342 58.200 0.053 0.000 0.999 190 S CB -0.224 63.012 63.200 0.060 0.000 0.844 190 S HN 0.618 nan 8.310 nan 0.000 0.459 191 Q N 0.833 120.692 119.800 0.099 0.000 1.993 191 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 191 Q C 2.258 178.320 176.000 0.104 0.000 0.984 191 Q CA 1.422 57.317 55.803 0.154 0.000 0.837 191 Q CB -0.263 28.617 28.738 0.236 0.000 0.902 191 Q HN 0.639 nan 8.270 nan 0.000 0.423 192 E N 0.442 120.646 120.200 0.006 0.000 2.130 192 E HA -0.229 4.120 4.350 -0.000 0.000 0.196 192 E C 1.919 178.405 176.600 -0.190 0.000 0.998 192 E CA 0.891 57.124 56.400 -0.278 0.000 0.806 192 E CB -0.196 29.344 29.700 -0.267 0.000 0.738 192 E HN 0.340 nan 8.360 nan 0.000 0.459 193 A N 1.917 124.684 122.820 -0.088 0.000 1.865 193 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 193 A C 2.479 180.063 177.584 0.000 0.000 1.191 193 A CA 2.042 54.041 52.037 -0.063 0.000 0.623 193 A CB -0.916 18.069 19.000 -0.025 0.000 0.826 193 A HN 0.313 nan 8.150 nan 0.000 0.444 194 A N -0.891 121.952 122.820 0.039 0.000 1.859 194 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 194 A C 2.315 179.952 177.584 0.087 0.000 1.198 194 A CA 1.915 53.992 52.037 0.067 0.000 0.629 194 A CB -1.505 17.551 19.000 0.093 0.000 0.830 194 A HN 0.677 nan 8.150 nan 0.000 0.446 195 C N -2.066 117.321 119.300 0.145 0.000 2.419 195 C HA -0.004 4.456 4.460 -0.000 0.000 0.283 195 C C 0.844 175.812 174.990 -0.036 0.000 1.373 195 C CA 0.310 59.405 59.018 0.129 0.000 1.781 195 C CB -1.594 26.305 27.740 0.264 0.000 1.886 195 C HN 0.480 nan 8.230 nan 0.000 0.520 196 F N 0.928 120.767 119.950 -0.185 0.000 2.739 196 F HA 0.268 4.795 4.527 -0.000 0.000 0.345 196 F C -1.885 173.816 175.800 -0.164 0.000 1.373 196 F CA -3.364 54.511 58.000 -0.209 0.000 1.160 196 F CB -0.585 38.155 39.000 -0.434 0.000 1.137 196 F HN 0.029 nan 8.300 nan 0.000 0.524 197 P HA -0.177 nan 4.420 nan 0.000 0.247 197 P C 0.628 177.923 177.300 -0.009 0.000 1.141 197 P CA 0.941 64.042 63.100 0.001 0.000 0.858 197 P CB 0.553 32.253 31.700 -0.001 0.000 0.804 198 D N 1.845 122.235 120.400 -0.016 0.000 3.033 198 D HA -0.230 4.410 4.640 -0.000 0.000 0.214 198 D C 1.166 177.456 176.300 -0.016 0.000 1.173 198 D CA 1.027 55.015 54.000 -0.020 0.000 0.930 198 D CB -0.415 40.377 40.800 -0.013 0.000 1.092 198 D HN 0.469 nan 8.370 nan 0.000 0.384 199 I N 0.016 120.580 120.570 -0.010 0.000 2.850 199 I HA -0.229 3.941 4.170 -0.000 0.000 0.266 199 I C 1.922 178.042 176.117 0.006 0.000 1.257 199 I CA 0.913 62.214 61.300 0.002 0.000 1.465 199 I CB -0.119 37.885 38.000 0.006 0.000 1.091 199 I HN 0.167 nan 8.210 nan 0.000 0.467 200 I N -4.853 115.699 120.570 -0.029 0.000 4.916 200 I HA 0.131 4.301 4.170 -0.000 0.000 0.335 200 I C 1.319 177.395 176.117 -0.069 0.000 1.274 200 I CA 0.228 61.491 61.300 -0.061 0.000 1.365 200 I CB -0.175 37.706 38.000 -0.198 0.000 1.395 200 I HN -0.249 nan 8.210 nan 0.000 0.485 201 S N 1.650 117.310 115.700 -0.067 0.000 2.743 201 S HA 0.501 4.970 4.470 -0.000 0.000 0.230 201 S C 1.349 175.935 174.600 -0.024 0.000 0.950 201 S CA 0.472 58.642 58.200 -0.050 0.000 0.976 201 S CB -0.302 62.868 63.200 -0.049 0.000 0.779 201 S HN 0.707 nan 8.310 nan 0.000 0.487 202 G N 2.638 111.429 108.800 -0.016 0.000 2.613 202 G HA2 0.242 4.202 3.960 -0.000 0.000 0.218 202 G HA3 0.242 4.202 3.960 -0.000 0.000 0.218 202 G C -1.787 173.113 174.900 0.001 0.000 1.508 202 G CA -0.186 44.910 45.100 -0.006 0.000 0.788 202 G HN 0.405 nan 8.290 nan 0.000 0.603 203 P HA 0.062 nan 4.420 nan 0.000 0.278 203 P C 0.188 177.497 177.300 0.015 0.000 1.270 203 P CA 0.190 63.298 63.100 0.013 0.000 0.800 203 P CB 0.613 32.326 31.700 0.021 0.000 1.142 204 Q N -0.090 119.721 119.800 0.018 0.000 2.141 204 Q HA -0.022 4.318 4.340 -0.000 0.000 0.194 204 Q C 1.248 177.266 176.000 0.030 0.000 0.975 204 Q CA 1.305 57.120 55.803 0.020 0.000 0.834 204 Q CB -0.778 27.969 28.738 0.016 0.000 0.916 204 Q HN 0.311 nan 8.270 nan 0.000 0.484 205 Q N 0.767 120.587 119.800 0.034 0.000 2.211 205 Q HA 0.230 4.570 4.340 -0.000 0.000 0.231 205 Q C 0.470 176.508 176.000 0.064 0.000 0.865 205 Q CA 0.319 56.149 55.803 0.046 0.000 0.997 205 Q CB 0.471 29.229 28.738 0.033 0.000 1.101 205 Q HN 0.450 nan 8.270 nan 0.000 0.468 206 T N -0.861 113.735 114.554 0.069 0.000 3.040 206 T HA -0.083 4.267 4.350 -0.000 0.000 0.252 206 T C 1.482 176.268 174.700 0.143 0.000 1.064 206 T CA 0.613 62.769 62.100 0.093 0.000 1.110 206 T CB 0.222 69.134 68.868 0.073 0.000 0.921 206 T HN 0.484 nan 8.240 nan 0.000 0.480 207 Q N 0.989 120.863 119.800 0.122 0.000 2.245 207 Q HA 0.103 4.443 4.340 -0.000 0.000 0.201 207 Q C 2.120 178.261 176.000 0.234 0.000 0.955 207 Q CA 0.616 56.522 55.803 0.173 0.000 0.870 207 Q CB -0.163 28.618 28.738 0.071 0.000 0.945 207 Q HN 0.120 nan 8.270 nan 0.000 0.461 208 K N 1.254 121.751 120.400 0.161 0.000 2.020 208 K HA -0.151 4.169 4.320 -0.000 0.000 0.212 208 K C 2.108 178.843 176.600 0.225 0.000 1.050 208 K CA 1.677 58.056 56.287 0.154 0.000 0.929 208 K CB -0.416 32.150 32.500 0.111 0.000 0.714 208 K HN 0.196 nan 8.250 nan 0.000 0.443 209 V N 1.488 121.555 119.914 0.254 0.000 2.287 209 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 209 V C 2.206 178.519 176.094 0.365 0.000 1.053 209 V CA 2.083 64.603 62.300 0.367 0.000 1.027 209 V CB -0.712 31.293 31.823 0.303 0.000 0.646 209 V HN 0.271 nan 8.190 nan 0.000 0.447 210 F N 0.718 120.765 119.950 0.162 0.000 2.008 210 F HA -0.272 4.255 4.527 -0.000 0.000 0.297 210 F C 2.187 178.007 175.800 0.032 0.000 1.156 210 F CA 2.042 60.089 58.000 0.079 0.000 1.191 210 F CB -0.784 38.210 39.000 -0.009 0.000 0.955 210 F HN 0.009 nan 8.300 nan 0.000 0.497 211 L N -0.760 120.347 121.223 -0.195 0.000 2.034 211 L HA -0.306 4.034 4.340 -0.000 0.000 0.217 211 L C 2.552 179.264 176.870 -0.265 0.000 1.077 211 L CA 2.047 56.698 54.840 -0.315 0.000 0.769 211 L CB -0.987 41.065 42.059 -0.011 0.000 0.890 211 L HN 0.383 nan 8.230 nan 0.000 0.435 212 F N 0.716 120.563 119.950 -0.171 0.000 2.095 212 F HA -0.272 4.254 4.527 -0.000 0.000 0.298 212 F C 2.327 177.953 175.800 -0.290 0.000 1.104 212 F CA 1.737 59.616 58.000 -0.201 0.000 1.232 212 F CB -0.247 38.633 39.000 -0.201 0.000 0.987 212 F HN -0.083 nan 8.300 nan 0.000 0.475 213 I N 0.094 120.494 120.570 -0.284 0.000 2.335 213 I HA -0.295 3.875 4.170 -0.000 0.000 0.251 213 I C 2.681 178.561 176.117 -0.395 0.000 1.129 213 I CA 1.387 62.512 61.300 -0.291 0.000 1.402 213 I CB -0.628 37.375 38.000 0.005 0.000 1.069 213 I HN 0.215 nan 8.210 nan 0.000 0.424 214 R N 1.501 121.689 120.500 -0.520 0.000 2.070 214 R HA -0.162 4.178 4.340 -0.000 0.000 0.227 214 R C 2.168 178.262 176.300 -0.343 0.000 1.147 214 R CA 1.922 57.745 56.100 -0.462 0.000 0.924 214 R CB -0.244 29.677 30.300 -0.630 0.000 0.827 214 R HN 0.331 nan 8.270 nan 0.000 0.431 215 N N 0.782 119.268 118.700 -0.356 0.000 2.137 215 N HA -0.241 4.499 4.740 -0.000 0.000 0.190 215 N C 1.852 177.160 175.510 -0.335 0.000 1.017 215 N CA 1.353 54.237 53.050 -0.276 0.000 0.859 215 N CB -0.502 37.844 38.487 -0.234 0.000 1.002 215 N HN 0.183 nan 8.380 nan 0.000 0.428 216 R N 1.034 121.187 120.500 -0.578 0.000 2.091 216 R HA -0.025 4.314 4.340 -0.000 0.000 0.238 216 R C 1.973 178.110 176.300 -0.272 0.000 1.136 216 R CA 1.800 57.567 56.100 -0.555 0.000 0.959 216 R CB -0.995 28.761 30.300 -0.908 0.000 0.856 216 R HN 0.213 nan 8.270 nan 0.000 0.437 217 T N 1.221 115.641 114.554 -0.223 0.000 2.732 217 T HA -0.070 4.280 4.350 -0.000 0.000 0.261 217 T C 1.542 176.214 174.700 -0.046 0.000 1.040 217 T CA 1.039 63.075 62.100 -0.107 0.000 1.145 217 T CB -0.334 68.468 68.868 -0.110 0.000 0.866 217 T HN 0.034 nan 8.240 nan 0.000 0.427 218 L N 1.463 122.648 121.223 -0.063 0.000 2.103 218 L HA -0.173 4.167 4.340 -0.000 0.000 0.215 218 L C 2.547 179.443 176.870 0.044 0.000 1.080 218 L CA 1.669 56.524 54.840 0.024 0.000 0.764 218 L CB -1.034 41.014 42.059 -0.019 0.000 0.890 218 L HN 0.358 nan 8.230 nan 0.000 0.435 219 Q N -1.104 118.672 119.800 -0.039 0.000 2.020 219 Q HA -0.157 4.183 4.340 -0.000 0.000 0.198 219 Q C 2.394 178.366 176.000 -0.045 0.000 0.974 219 Q CA 1.204 56.975 55.803 -0.052 0.000 0.829 219 Q CB -0.040 28.644 28.738 -0.089 0.000 0.894 219 Q HN 0.474 nan 8.270 nan 0.000 0.433 220 L N 0.204 121.408 121.223 -0.033 0.000 1.990 220 L HA -0.265 4.075 4.340 -0.000 0.000 0.213 220 L C 2.470 179.338 176.870 -0.003 0.000 1.072 220 L CA 1.850 56.679 54.840 -0.018 0.000 0.755 220 L CB -0.952 41.108 42.059 0.002 0.000 0.889 220 L HN 0.603 nan 8.230 nan 0.000 0.432 221 W N 1.155 122.382 121.300 -0.122 0.000 2.315 221 W HA -0.260 4.400 4.660 -0.000 0.000 0.323 221 W C 2.192 178.624 176.519 -0.145 0.000 1.233 221 W CA 1.545 58.800 57.345 -0.150 0.000 1.267 221 W CB -0.387 28.973 29.460 -0.166 0.000 1.160 221 W HN 0.104 nan 8.180 nan 0.000 0.474 222 L N 0.763 121.753 121.223 -0.388 0.000 2.127 222 L HA -0.232 4.108 4.340 -0.000 0.000 0.211 222 L C 2.010 178.648 176.870 -0.388 0.000 1.089 222 L CA 1.544 56.098 54.840 -0.477 0.000 0.757 222 L CB -0.960 41.000 42.059 -0.164 0.000 0.899 222 L HN -0.057 nan 8.230 nan 0.000 0.434 223 D N -0.118 120.124 120.400 -0.262 0.000 2.371 223 D HA -0.081 4.559 4.640 -0.000 0.000 0.221 223 D C 0.581 176.742 176.300 -0.232 0.000 0.986 223 D CA 0.753 54.634 54.000 -0.199 0.000 0.899 223 D CB -0.005 40.721 40.800 -0.123 0.000 0.902 223 D HN 0.409 nan 8.370 nan 0.000 0.530 224 N N -0.058 118.434 118.700 -0.348 0.000 3.111 224 N HA 0.023 4.762 4.740 -0.000 0.000 0.200 224 N C -2.618 172.556 175.510 -0.560 0.000 1.464 224 N CA -0.671 52.177 53.050 -0.338 0.000 0.758 224 N CB 1.281 39.653 38.487 -0.191 0.000 1.548 224 N HN -0.225 nan 8.380 nan 0.000 0.595 225 P HA 0.054 nan 4.420 nan 0.000 0.256 225 P C 0.034 177.009 177.300 -0.541 0.000 1.335 225 P CA 0.277 62.553 63.100 -1.374 0.000 0.808 225 P CB 0.059 30.922 31.700 -1.394 0.000 1.305 226 K N -0.394 119.845 120.400 -0.269 0.000 2.387 226 K HA 0.298 4.618 4.320 -0.000 0.000 0.198 226 K C 0.724 177.365 176.600 0.069 0.000 1.022 226 K CA 0.122 56.378 56.287 -0.051 0.000 1.128 226 K CB 0.653 33.112 32.500 -0.068 0.000 0.853 226 K HN 0.263 nan 8.250 nan 0.000 0.523 227 I N 0.653 121.264 120.570 0.069 0.000 2.802 227 I HA 0.048 4.218 4.170 -0.000 0.000 0.298 227 I C -0.712 175.508 176.117 0.171 0.000 1.176 227 I CA -0.992 60.395 61.300 0.146 0.000 1.025 227 I CB 2.827 40.866 38.000 0.065 0.000 1.243 227 I HN -0.031 nan 8.210 nan 0.000 0.424 228 Q N 5.249 125.161 119.800 0.187 0.000 2.286 228 Q HA 0.151 4.491 4.340 -0.000 0.000 0.265 228 Q C -1.072 174.967 176.000 0.066 0.000 1.080 228 Q CA -0.466 55.348 55.803 0.018 0.000 0.906 228 Q CB 0.831 29.677 28.738 0.181 0.000 1.227 228 Q HN 0.452 nan 8.270 nan 0.000 0.409 229 L N 5.623 126.884 121.223 0.063 0.000 2.363 229 L HA 0.243 4.583 4.340 -0.000 0.000 0.286 229 L C -0.608 176.391 176.870 0.215 0.000 1.106 229 L CA 0.583 55.502 54.840 0.131 0.000 0.859 229 L CB 0.522 42.680 42.059 0.165 0.000 1.223 229 L HN 0.632 nan 8.230 nan 0.000 0.446 230 T N 4.933 119.599 114.554 0.187 0.000 2.860 230 T HA 0.015 4.365 4.350 -0.000 0.000 0.299 230 T C 0.958 175.744 174.700 0.144 0.000 1.045 230 T CA 0.139 62.342 62.100 0.171 0.000 1.071 230 T CB 0.453 69.370 68.868 0.081 0.000 0.985 230 T HN 0.556 nan 8.240 nan 0.000 0.537 231 F N 1.532 121.270 119.950 -0.354 0.000 2.134 231 F HA -0.081 4.446 4.527 -0.000 0.000 0.299 231 F C 2.284 178.025 175.800 -0.097 0.000 1.097 231 F CA 1.804 59.487 58.000 -0.528 0.000 1.264 231 F CB -0.306 38.365 39.000 -0.547 0.000 1.001 231 F HN 0.805 nan 8.300 nan 0.000 0.479 232 E N 0.385 120.404 120.200 -0.302 0.000 2.051 232 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 232 E C 2.314 178.788 176.600 -0.210 0.000 0.991 232 E CA 1.250 57.446 56.400 -0.339 0.000 0.799 232 E CB -0.461 29.180 29.700 -0.098 0.000 0.748 232 E HN 0.449 nan 8.360 nan 0.000 0.449 233 A N 0.198 122.970 122.820 -0.079 0.000 1.908 233 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 233 A C 2.406 179.974 177.584 -0.028 0.000 1.181 233 A CA 2.124 54.146 52.037 -0.026 0.000 0.627 233 A CB -1.029 17.988 19.000 0.029 0.000 0.818 233 A HN 0.381 nan 8.150 nan 0.000 0.445 234 T N -0.172 114.377 114.554 -0.009 0.000 2.821 234 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 234 T C 1.801 176.474 174.700 -0.045 0.000 1.046 234 T CA 1.401 63.517 62.100 0.027 0.000 1.139 234 T CB -0.291 68.682 68.868 0.175 0.000 0.871 234 T HN 0.305 nan 8.240 nan 0.000 0.454 235 L N 1.862 122.966 121.223 -0.198 0.000 1.973 235 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 235 L C 2.032 178.847 176.870 -0.091 0.000 1.073 235 L CA 1.669 56.385 54.840 -0.208 0.000 0.746 235 L CB -0.783 40.992 42.059 -0.474 0.000 0.891 235 L HN 0.333 nan 8.230 nan 0.000 0.433 236 Q N -0.366 119.374 119.800 -0.101 0.000 2.336 236 Q HA -0.073 4.267 4.340 -0.000 0.000 0.231 236 Q C 0.655 176.647 176.000 -0.012 0.000 0.900 236 Q CA 0.442 56.219 55.803 -0.043 0.000 0.966 236 Q CB -0.268 28.444 28.738 -0.045 0.000 1.219 236 Q HN 0.663 nan 8.270 nan 0.000 0.412 237 Q N -0.072 119.730 119.800 0.003 0.000 1.930 237 Q HA 0.314 4.654 4.340 -0.000 0.000 0.190 237 Q C -0.691 175.337 176.000 0.047 0.000 0.766 237 Q CA -0.133 55.681 55.803 0.019 0.000 0.931 237 Q CB 0.829 29.572 28.738 0.009 0.000 1.227 237 Q HN 0.465 nan 8.270 nan 0.000 0.417 238 L N 1.201 122.468 121.223 0.072 0.000 2.416 238 L HA 0.358 4.697 4.340 -0.000 0.000 0.262 238 L C 0.105 177.080 176.870 0.175 0.000 1.093 238 L CA -0.589 54.336 54.840 0.141 0.000 0.801 238 L CB 0.948 43.118 42.059 0.185 0.000 1.191 238 L HN 0.032 nan 8.230 nan 0.000 0.459 239 E N 0.144 120.506 120.200 0.270 0.000 2.345 239 E HA 0.284 4.634 4.350 -0.000 0.000 0.259 239 E C 0.807 177.536 176.600 0.215 0.000 1.117 239 E CA 0.313 56.859 56.400 0.244 0.000 0.913 239 E CB 0.809 30.669 29.700 0.267 0.000 1.057 239 E HN 0.602 nan 8.360 nan 0.000 0.432 240 A N 2.474 125.354 122.820 0.101 0.000 1.886 240 A HA -0.292 4.028 4.320 -0.000 0.000 0.240 240 A C -0.724 176.840 177.584 -0.032 0.000 1.875 240 A CA 2.669 54.720 52.037 0.024 0.000 0.760 240 A CB -2.402 16.593 19.000 -0.008 0.000 0.849 240 A HN 0.644 nan 8.150 nan 0.000 0.505 241 P HA 0.001 nan 4.420 nan 0.000 0.196 241 P C 1.110 178.295 177.300 -0.191 0.000 1.105 241 P CA 1.069 63.975 63.100 -0.323 0.000 0.866 241 P CB -0.443 30.816 31.700 -0.735 0.000 0.706 242 Y N 1.070 121.392 120.300 0.037 0.000 2.212 242 Y HA -0.396 4.154 4.550 -0.000 0.000 0.188 242 Y C 2.061 178.026 175.900 0.108 0.000 1.270 242 Y CA 1.946 60.108 58.100 0.104 0.000 0.872 242 Y CB -2.450 36.118 38.460 0.180 0.000 0.674 242 Y HN 0.215 nan 8.280 nan 0.000 0.578 243 N N 1.113 119.973 118.700 0.266 0.000 2.635 243 N HA -0.113 4.627 4.740 -0.000 0.000 0.191 243 N C 1.300 176.876 175.510 0.110 0.000 1.155 243 N CA 1.196 54.343 53.050 0.162 0.000 0.927 243 N CB -0.523 38.033 38.487 0.115 0.000 0.976 243 N HN 0.657 nan 8.380 nan 0.000 0.448 244 S N -0.090 115.664 115.700 0.091 0.000 2.348 244 S HA -0.129 4.341 4.470 -0.000 0.000 0.219 244 S C 0.802 175.452 174.600 0.082 0.000 1.033 244 S CA 0.414 58.649 58.200 0.058 0.000 0.974 244 S CB -0.407 62.803 63.200 0.017 0.000 0.868 244 S HN 0.263 nan 8.310 nan 0.000 0.459 245 D N 1.798 122.260 120.400 0.103 0.000 2.435 245 D HA 0.147 4.787 4.640 -0.000 0.000 0.230 245 D C 0.792 177.199 176.300 0.179 0.000 1.215 245 D CA 0.154 54.230 54.000 0.128 0.000 0.947 245 D CB 0.850 41.731 40.800 0.135 0.000 1.048 245 D HN 0.299 nan 8.370 nan 0.000 0.512 246 T N 2.131 116.791 114.554 0.176 0.000 2.915 246 T HA -0.089 4.261 4.350 -0.000 0.000 0.269 246 T C 1.850 176.750 174.700 0.333 0.000 1.071 246 T CA 0.892 63.143 62.100 0.251 0.000 1.132 246 T CB 0.236 69.240 68.868 0.226 0.000 0.878 246 T HN 0.255 nan 8.240 nan 0.000 0.479 247 V N 1.367 121.420 119.914 0.231 0.000 2.323 247 V HA -0.032 4.088 4.120 -0.000 0.000 0.244 247 V C 2.460 178.702 176.094 0.246 0.000 1.041 247 V CA 1.540 63.959 62.300 0.197 0.000 1.025 247 V CB -0.577 31.322 31.823 0.127 0.000 0.656 247 V HN 0.448 nan 8.190 nan 0.000 0.451 248 L N -0.028 121.351 121.223 0.260 0.000 2.131 248 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 248 L C 2.303 179.393 176.870 0.367 0.000 1.092 248 L CA 1.700 56.727 54.840 0.312 0.000 0.759 248 L CB -0.482 41.766 42.059 0.316 0.000 0.903 248 L HN 0.111 nan 8.230 nan 0.000 0.435 249 V N -0.187 119.953 119.914 0.377 0.000 2.231 249 V HA -0.412 3.708 4.120 -0.000 0.000 0.248 249 V C 2.525 178.905 176.094 0.477 0.000 1.054 249 V CA 2.331 64.881 62.300 0.418 0.000 1.015 249 V CB -1.041 31.050 31.823 0.446 0.000 0.638 249 V HN 0.730 nan 8.190 nan 0.000 0.444 250 H N 0.199 119.496 119.070 0.378 0.000 2.319 250 H HA -0.196 4.360 4.556 -0.000 0.000 0.297 250 H C 2.509 177.846 175.328 0.016 0.000 1.097 250 H CA 2.301 58.282 56.048 -0.112 0.000 1.285 250 H CB -0.046 29.341 29.762 -0.625 0.000 1.368 250 H HN 0.290 nan 8.280 nan 0.000 0.495 251 R N -0.385 120.269 120.500 0.257 0.000 2.094 251 R HA -0.158 4.182 4.340 -0.000 0.000 0.239 251 R C 2.487 179.008 176.300 0.368 0.000 1.137 251 R CA 1.829 58.041 56.100 0.186 0.000 0.943 251 R CB -0.615 29.805 30.300 0.200 0.000 0.850 251 R HN 0.210 nan 8.270 nan 0.000 0.433 252 V N 0.545 120.759 119.914 0.499 0.000 2.255 252 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 252 V C 2.435 178.730 176.094 0.335 0.000 1.051 252 V CA 2.071 64.656 62.300 0.476 0.000 1.018 252 V CB -0.853 31.114 31.823 0.240 0.000 0.641 252 V HN 0.456 nan 8.190 nan 0.000 0.445 253 H N 0.636 119.789 119.070 0.137 0.000 2.265 253 H HA -0.183 4.373 4.556 -0.000 0.000 0.295 253 H C 2.531 177.842 175.328 -0.028 0.000 1.084 253 H CA 2.404 58.478 56.048 0.044 0.000 1.261 253 H CB -0.319 29.485 29.762 0.071 0.000 1.360 253 H HN 0.408 nan 8.280 nan 0.000 0.487 254 S N 0.031 115.801 115.700 0.117 0.000 2.365 254 S HA -0.214 4.256 4.470 -0.000 0.000 0.225 254 S C 1.985 176.628 174.600 0.073 0.000 1.039 254 S CA 1.471 59.674 58.200 0.006 0.000 1.033 254 S CB -0.755 62.345 63.200 -0.166 0.000 0.887 254 S HN 0.568 nan 8.310 nan 0.000 0.447 255 Y N 2.361 122.708 120.300 0.077 0.000 2.053 255 Y HA -0.211 4.339 4.550 -0.000 0.000 0.277 255 Y C 1.946 177.892 175.900 0.077 0.000 1.159 255 Y CA 1.521 59.702 58.100 0.135 0.000 1.125 255 Y CB -0.724 37.926 38.460 0.317 0.000 0.969 255 Y HN 0.148 nan 8.280 nan 0.000 0.492 256 L N 0.170 121.357 121.223 -0.060 0.000 1.970 256 L HA -0.273 4.066 4.340 -0.000 0.000 0.212 256 L C 2.611 179.360 176.870 -0.201 0.000 1.071 256 L CA 2.136 56.848 54.840 -0.214 0.000 0.751 256 L CB -0.869 41.098 42.059 -0.153 0.000 0.889 256 L HN 0.327 nan 8.230 nan 0.000 0.432 257 E N 0.299 120.393 120.200 -0.176 0.000 2.171 257 E HA -0.318 4.032 4.350 -0.000 0.000 0.197 257 E C 2.226 178.842 176.600 0.026 0.000 0.997 257 E CA 1.541 57.874 56.400 -0.112 0.000 0.810 257 E CB 0.063 29.746 29.700 -0.028 0.000 0.738 257 E HN 0.238 nan 8.360 nan 0.000 0.467 258 R N -0.297 120.188 120.500 -0.026 0.000 2.062 258 R HA -0.133 4.207 4.340 -0.000 0.000 0.231 258 R C 1.624 177.919 176.300 -0.009 0.000 1.136 258 R CA 1.987 58.039 56.100 -0.081 0.000 0.948 258 R CB -0.332 29.902 30.300 -0.109 0.000 0.845 258 R HN 0.263 nan 8.270 nan 0.000 0.430 259 H N -0.724 118.203 119.070 -0.238 0.000 2.553 259 H HA 0.279 4.835 4.556 -0.000 0.000 0.269 259 H C 0.723 175.946 175.328 -0.175 0.000 1.011 259 H CA 0.649 56.566 56.048 -0.219 0.000 1.150 259 H CB 0.159 29.697 29.762 -0.373 0.000 1.339 259 H HN 0.562 nan 8.280 nan 0.000 0.604 260 G N 0.704 109.485 108.800 -0.032 0.000 2.221 260 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.265 260 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.265 260 G C 0.843 175.628 174.900 -0.191 0.000 1.041 260 G CA 0.556 45.594 45.100 -0.103 0.000 0.807 260 G HN 0.488 nan 8.290 nan 0.000 0.502 261 L N -0.728 120.412 121.223 -0.139 0.000 2.477 261 L HA 0.394 4.734 4.340 -0.000 0.000 0.220 261 L C 1.625 178.438 176.870 -0.096 0.000 1.106 261 L CA 0.905 55.696 54.840 -0.082 0.000 0.851 261 L CB -0.129 41.877 42.059 -0.088 0.000 0.994 261 L HN 0.649 nan 8.230 nan 0.000 0.462 262 I N -4.187 116.119 120.570 -0.441 0.000 2.969 262 I HA 0.375 4.545 4.170 -0.000 0.000 0.307 262 I C -0.812 174.464 176.117 -1.402 0.000 1.149 262 I CA -0.767 59.703 61.300 -1.384 0.000 1.008 262 I CB 1.994 39.461 38.000 -0.888 0.000 1.232 262 I HN 0.029 nan 8.210 nan 0.000 0.435 263 N N 2.552 119.663 118.700 -2.649 0.000 2.696 263 N HA -0.220 4.520 4.740 -0.000 0.000 0.256 263 N C -1.227 173.928 175.510 -0.592 0.000 1.031 263 N CA 1.241 53.270 53.050 -1.700 0.000 0.730 263 N CB -1.168 36.790 38.487 -0.883 0.000 0.894 263 N HN 0.641 nan 8.380 nan 0.000 0.544 264 F N -2.160 117.578 119.950 -0.353 0.000 2.603 264 F HA 0.894 5.421 4.527 -0.000 0.000 0.317 264 F C 0.967 176.982 175.800 0.358 0.000 1.066 264 F CA 0.040 58.092 58.000 0.086 0.000 0.941 264 F CB 1.152 40.124 39.000 -0.047 0.000 1.291 264 F HN 0.168 nan 8.300 nan 0.000 0.472 265 G N 1.475 110.547 108.800 0.453 0.000 2.488 265 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.237 265 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.237 265 G C -1.496 173.478 174.900 0.124 0.000 1.209 265 G CA -0.308 44.959 45.100 0.279 0.000 0.929 265 G HN 1.424 nan 8.290 nan 0.000 0.578 266 I N 1.661 122.278 120.570 0.079 0.000 2.382 266 I HA 0.724 4.894 4.170 -0.000 0.000 0.286 266 I C -0.385 175.738 176.117 0.009 0.000 1.002 266 I CA -1.221 60.035 61.300 -0.074 0.000 1.135 266 I CB 0.669 38.636 38.000 -0.055 0.000 1.288 266 I HN 0.854 nan 8.210 nan 0.000 0.448 267 Y N 4.135 124.462 120.300 0.045 0.000 2.581 267 Y HA 0.478 5.028 4.550 -0.000 0.000 0.345 267 Y C -0.809 175.116 175.900 0.042 0.000 1.036 267 Y CA -1.642 56.490 58.100 0.053 0.000 1.042 267 Y CB 0.634 39.184 38.460 0.151 0.000 1.289 267 Y HN 0.431 nan 8.280 nan 0.000 0.471 268 K N 2.837 123.359 120.400 0.204 0.000 2.336 268 K HA 0.164 4.484 4.320 -0.000 0.000 0.290 268 K C -0.230 176.506 176.600 0.226 0.000 1.067 268 K CA -0.240 56.124 56.287 0.129 0.000 0.962 268 K CB 0.353 32.907 32.500 0.090 0.000 1.008 268 K HN 0.852 nan 8.250 nan 0.000 0.467 269 R N 5.010 125.601 120.500 0.153 0.000 2.401 269 R HA 0.164 4.504 4.340 -0.000 0.000 0.299 269 R C -0.396 175.989 176.300 0.142 0.000 1.064 269 R CA -0.087 56.132 56.100 0.198 0.000 1.000 269 R CB 0.396 30.745 30.300 0.081 0.000 0.973 269 R HN 0.595 nan 8.270 nan 0.000 0.438 270 I N 4.385 125.049 120.570 0.155 0.000 2.607 270 I HA 0.221 4.391 4.170 -0.000 0.000 0.305 270 I C -0.124 176.054 176.117 0.101 0.000 0.995 270 I CA -0.894 60.470 61.300 0.106 0.000 1.148 270 I CB 1.634 39.692 38.000 0.098 0.000 1.323 270 I HN 0.714 nan 8.210 nan 0.000 0.461 271 K N 2.220 122.666 120.400 0.077 0.000 6.228 271 K HA -0.122 4.198 4.320 -0.000 0.000 0.581 271 K C -2.547 174.097 176.600 0.073 0.000 1.437 271 K CA -0.375 55.956 56.287 0.073 0.000 1.549 271 K CB -1.362 31.186 32.500 0.081 0.000 1.807 271 K HN 0.335 nan 8.250 nan 0.000 0.358 272 P HA -0.001 nan 4.420 nan 0.000 0.268 272 P C 0.466 177.794 177.300 0.048 0.000 1.208 272 P CA -0.213 62.915 63.100 0.047 0.000 0.777 272 P CB 0.512 32.233 31.700 0.035 0.000 0.875 273 L N 3.754 125.001 121.223 0.041 0.000 2.499 273 L HA 0.106 4.446 4.340 -0.000 0.000 0.281 273 L C -1.411 175.481 176.870 0.037 0.000 1.234 273 L CA -1.379 53.485 54.840 0.041 0.000 0.839 273 L CB -0.628 41.446 42.059 0.025 0.000 1.104 273 L HN 0.323 nan 8.230 nan 0.000 0.500 274 P HA 0.078 nan 4.420 nan 0.000 0.275 274 P C 0.389 177.707 177.300 0.030 0.000 1.276 274 P CA -0.276 62.846 63.100 0.037 0.000 0.782 274 P CB 1.032 32.757 31.700 0.042 0.000 0.851 275 T N 1.438 116.007 114.554 0.025 0.000 2.778 275 T HA -0.185 4.165 4.350 -0.000 0.000 0.269 275 T C 1.005 175.719 174.700 0.022 0.000 1.050 275 T CA 1.493 63.605 62.100 0.021 0.000 1.137 275 T CB -0.228 68.651 68.868 0.019 0.000 0.860 275 T HN 0.266 nan 8.240 nan 0.000 0.468 276 K N 2.823 123.238 120.400 0.025 0.000 2.206 276 K HA 0.145 4.465 4.320 -0.000 0.000 0.268 276 K C -0.206 176.413 176.600 0.031 0.000 1.111 276 K CA -0.309 55.993 56.287 0.026 0.000 0.955 276 K CB 0.148 32.663 32.500 0.025 0.000 1.406 276 K HN -0.020 nan 8.250 nan 0.000 0.427 277 K N 1.915 122.334 120.400 0.032 0.000 2.180 277 K HA 0.231 4.550 4.320 -0.000 0.000 0.251 277 K C -0.282 176.344 176.600 0.044 0.000 1.014 277 K CA -0.235 56.074 56.287 0.037 0.000 0.913 277 K CB 0.736 33.255 32.500 0.031 0.000 1.008 277 K HN 0.448 nan 8.250 nan 0.000 0.490 278 T N 0.257 114.843 114.554 0.054 0.000 2.840 278 T HA 0.522 4.872 4.350 -0.000 0.000 0.287 278 T C -0.206 174.546 174.700 0.086 0.000 0.991 278 T CA -0.282 61.858 62.100 0.067 0.000 0.964 278 T CB 1.402 70.313 68.868 0.071 0.000 0.954 278 T HN 0.824 nan 8.240 nan 0.000 0.438 279 G N 2.424 111.285 108.800 0.103 0.000 2.757 279 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.686 279 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.686 279 G C -0.836 174.112 174.900 0.080 0.000 1.452 279 G CA -0.746 44.436 45.100 0.137 0.000 0.922 279 G HN 0.805 nan 8.290 nan 0.000 0.588 280 K N 0.176 120.626 120.400 0.084 0.000 2.323 280 K HA 0.726 5.046 4.320 -0.000 0.000 0.259 280 K C -0.458 176.145 176.600 0.005 0.000 0.947 280 K CA -0.718 55.596 56.287 0.045 0.000 0.819 280 K CB 1.906 34.447 32.500 0.068 0.000 1.109 280 K HN 0.832 nan 8.250 nan 0.000 0.429 281 V N 5.561 125.448 119.914 -0.045 0.000 2.540 281 V HA 0.498 4.618 4.120 -0.000 0.000 0.302 281 V C -0.581 175.468 176.094 -0.075 0.000 1.035 281 V CA -0.916 61.326 62.300 -0.096 0.000 0.873 281 V CB 1.651 33.371 31.823 -0.172 0.000 0.992 281 V HN 0.686 nan 8.190 nan 0.000 0.428 282 I N 5.606 126.135 120.570 -0.068 0.000 2.362 282 I HA 0.474 4.644 4.170 -0.000 0.000 0.289 282 I C -0.209 175.847 176.117 -0.102 0.000 0.994 282 I CA -0.329 60.917 61.300 -0.089 0.000 1.158 282 I CB 1.640 39.603 38.000 -0.062 0.000 1.315 282 I HN 0.468 nan 8.210 nan 0.000 0.451 283 I N 7.205 127.702 120.570 -0.122 0.000 2.339 283 I HA 0.353 4.523 4.170 -0.000 0.000 0.290 283 I C 0.157 176.210 176.117 -0.107 0.000 0.994 283 I CA -0.576 60.661 61.300 -0.105 0.000 1.191 283 I CB 1.475 39.411 38.000 -0.106 0.000 1.343 283 I HN 0.310 nan 8.210 nan 0.000 0.458 284 I N 6.484 127.009 120.570 -0.075 0.000 2.363 284 I HA 0.413 4.583 4.170 -0.000 0.000 0.292 284 I C 0.855 176.942 176.117 -0.050 0.000 1.075 284 I CA 0.109 61.368 61.300 -0.068 0.000 1.333 284 I CB 0.222 38.207 38.000 -0.025 0.000 1.415 284 I HN 0.834 nan 8.210 nan 0.000 0.502 285 G N 4.489 113.235 108.800 -0.089 0.000 2.721 285 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.686 285 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.686 285 G C -0.145 174.713 174.900 -0.070 0.000 1.236 285 G CA -0.255 44.798 45.100 -0.078 0.000 0.786 285 G HN 0.862 nan 8.290 nan 0.000 0.616 286 S N 1.243 116.901 115.700 -0.071 0.000 2.384 286 S HA 0.666 5.136 4.470 -0.000 0.000 0.227 286 S C 1.033 175.613 174.600 -0.034 0.000 1.257 286 S CA 0.648 58.813 58.200 -0.059 0.000 1.249 286 S CB 0.510 63.667 63.200 -0.073 0.000 1.018 286 S HN 2.030 nan 8.310 nan 0.000 0.478 287 G N 0.761 109.553 108.800 -0.014 0.000 2.535 287 G HA2 0.416 4.376 3.960 -0.000 0.000 0.282 287 G HA3 0.416 4.376 3.960 -0.000 0.000 0.282 287 G C 0.908 175.798 174.900 -0.017 0.000 1.350 287 G CA -0.395 44.704 45.100 -0.001 0.000 1.039 287 G HN 0.311 nan 8.290 nan 0.000 0.509 288 V N 0.696 120.594 119.914 -0.026 0.000 2.332 288 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 288 V C 3.298 179.375 176.094 -0.028 0.000 1.055 288 V CA 2.755 65.035 62.300 -0.033 0.000 1.038 288 V CB -0.589 31.202 31.823 -0.053 0.000 0.651 288 V HN 0.845 nan 8.190 nan 0.000 0.450 289 S N 0.507 116.192 115.700 -0.024 0.000 2.368 289 S HA -0.096 4.374 4.470 -0.000 0.000 0.224 289 S C 2.089 176.667 174.600 -0.038 0.000 1.029 289 S CA 1.383 59.565 58.200 -0.030 0.000 0.988 289 S CB -0.938 62.253 63.200 -0.015 0.000 0.838 289 S HN 0.533 nan 8.310 nan 0.000 0.462 290 G N 2.527 111.309 108.800 -0.030 0.000 2.511 290 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.216 290 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.216 290 G C 1.477 176.340 174.900 -0.061 0.000 1.218 290 G CA 1.083 46.156 45.100 -0.046 0.000 0.788 290 G HN 0.508 nan 8.290 nan 0.000 0.560 291 L N 1.038 122.230 121.223 -0.052 0.000 2.013 291 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 291 L C 3.447 180.281 176.870 -0.059 0.000 1.073 291 L CA 1.256 56.063 54.840 -0.054 0.000 0.753 291 L CB -0.701 41.336 42.059 -0.037 0.000 0.890 291 L HN 0.305 nan 8.230 nan 0.000 0.432 292 A N 0.288 123.080 122.820 -0.046 0.000 1.873 292 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 292 A C 2.566 180.094 177.584 -0.092 0.000 1.193 292 A CA 2.419 54.429 52.037 -0.045 0.000 0.629 292 A CB -0.989 17.986 19.000 -0.042 0.000 0.826 292 A HN 0.434 nan 8.150 nan 0.000 0.447 293 A N -0.385 122.371 122.820 -0.106 0.000 1.845 293 A HA 0.140 4.460 4.320 -0.000 0.000 0.215 293 A C 2.584 180.065 177.584 -0.173 0.000 1.195 293 A CA 2.656 54.607 52.037 -0.144 0.000 0.616 293 A CB -1.415 17.509 19.000 -0.126 0.000 0.832 293 A HN 1.348 nan 8.150 nan 0.000 0.443 294 A N 0.024 122.760 122.820 -0.139 0.000 1.873 294 A HA -0.334 3.986 4.320 -0.000 0.000 0.219 294 A C 2.214 179.698 177.584 -0.166 0.000 1.269 294 A CA 2.382 54.336 52.037 -0.138 0.000 0.671 294 A CB -0.873 18.062 19.000 -0.108 0.000 0.842 294 A HN 0.589 nan 8.150 nan 0.000 0.460 295 R N -1.285 119.123 120.500 -0.153 0.000 2.113 295 R HA -0.213 4.127 4.340 -0.000 0.000 0.244 295 R C 2.538 178.677 176.300 -0.268 0.000 1.142 295 R CA 1.707 57.704 56.100 -0.172 0.000 0.953 295 R CB -0.509 29.711 30.300 -0.134 0.000 0.860 295 R HN 0.645 nan 8.270 nan 0.000 0.438 296 Q N 0.788 120.375 119.800 -0.355 0.000 1.998 296 Q HA -0.189 4.151 4.340 -0.000 0.000 0.209 296 Q C 2.402 177.812 176.000 -0.983 0.000 1.002 296 Q CA 1.669 57.030 55.803 -0.737 0.000 0.858 296 Q CB -0.688 27.630 28.738 -0.700 0.000 0.932 296 Q HN 0.390 nan 8.270 nan 0.000 0.416 297 L N 0.677 121.552 121.223 -0.580 0.000 2.021 297 L HA -0.294 4.046 4.340 -0.000 0.000 0.215 297 L C 2.819 179.598 176.870 -0.151 0.000 1.074 297 L CA 1.845 56.523 54.840 -0.269 0.000 0.760 297 L CB -0.622 41.337 42.059 -0.167 0.000 0.889 297 L HN 0.386 nan 8.230 nan 0.000 0.433 298 Q N -0.366 119.334 119.800 -0.166 0.000 1.985 298 Q HA -0.289 4.051 4.340 -0.000 0.000 0.207 298 Q C 2.411 178.379 176.000 -0.053 0.000 0.996 298 Q CA 2.503 58.251 55.803 -0.091 0.000 0.851 298 Q CB -0.225 28.452 28.738 -0.101 0.000 0.921 298 Q HN 0.360 nan 8.270 nan 0.000 0.418 299 S N -0.476 115.161 115.700 -0.105 0.000 2.380 299 S HA -0.158 4.312 4.470 -0.000 0.000 0.229 299 S C 1.541 176.234 174.600 0.154 0.000 1.043 299 S CA 1.369 59.564 58.200 -0.008 0.000 1.038 299 S CB -0.546 62.632 63.200 -0.037 0.000 0.872 299 S HN 0.530 nan 8.310 nan 0.000 0.456 300 F N 0.984 120.929 119.950 -0.008 0.000 2.494 300 F HA 0.079 4.606 4.527 -0.000 0.000 0.298 300 F C 1.665 177.460 175.800 -0.008 0.000 1.106 300 F CA 0.051 58.041 58.000 -0.015 0.000 1.452 300 F CB -0.267 38.708 39.000 -0.043 0.000 1.085 300 F HN 0.480 nan 8.300 nan 0.000 0.569 301 G N 1.835 110.737 108.800 0.170 0.000 2.638 301 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.269 301 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.269 301 G C -0.617 174.331 174.900 0.081 0.000 1.141 301 G CA -0.347 44.812 45.100 0.099 0.000 1.081 301 G HN 0.233 nan 8.290 nan 0.000 0.527 302 M N -0.068 119.566 119.600 0.056 0.000 2.618 302 M HA 0.356 4.836 4.480 -0.000 0.000 0.281 302 M C -1.148 175.156 176.300 0.007 0.000 1.267 302 M CA -0.915 54.406 55.300 0.034 0.000 0.845 302 M CB 2.066 34.681 32.600 0.024 0.000 1.732 302 M HN 0.172 nan 8.290 nan 0.000 0.461 303 D N 2.729 123.133 120.400 0.007 0.000 2.339 303 D HA 0.399 5.039 4.640 -0.000 0.000 0.241 303 D C -1.261 175.025 176.300 -0.023 0.000 1.183 303 D CA 0.003 54.003 54.000 0.001 0.000 0.859 303 D CB 0.911 41.722 40.800 0.020 0.000 1.067 303 D HN 0.439 nan 8.370 nan 0.000 0.484 304 V N 1.509 121.400 119.914 -0.038 0.000 2.444 304 V HA 0.654 4.774 4.120 -0.000 0.000 0.294 304 V C -0.163 175.893 176.094 -0.063 0.000 1.022 304 V CA -0.583 61.679 62.300 -0.064 0.000 0.850 304 V CB 1.661 33.432 31.823 -0.086 0.000 0.992 304 V HN 0.359 nan 8.190 nan 0.000 0.426 305 T N 6.779 121.286 114.554 -0.078 0.000 2.841 305 T HA 0.648 4.998 4.350 -0.000 0.000 0.285 305 T C -0.430 174.180 174.700 -0.151 0.000 0.991 305 T CA -0.375 61.665 62.100 -0.100 0.000 0.966 305 T CB 1.333 70.148 68.868 -0.089 0.000 0.962 305 T HN 0.671 nan 8.240 nan 0.000 0.438 306 L N 3.740 124.876 121.223 -0.146 0.000 2.309 306 L HA 0.593 4.933 4.340 -0.000 0.000 0.282 306 L C -0.499 176.250 176.870 -0.203 0.000 1.036 306 L CA -0.975 53.770 54.840 -0.158 0.000 0.806 306 L CB 1.183 43.170 42.059 -0.120 0.000 1.220 306 L HN 0.421 nan 8.230 nan 0.000 0.429 307 L N 3.000 124.086 121.223 -0.228 0.000 2.337 307 L HA 0.363 4.703 4.340 -0.000 0.000 0.269 307 L C -0.362 176.375 176.870 -0.221 0.000 1.018 307 L CA -0.399 54.285 54.840 -0.260 0.000 0.876 307 L CB 1.368 43.231 42.059 -0.327 0.000 1.236 307 L HN 0.519 nan 8.230 nan 0.000 0.436 308 E N 2.456 122.528 120.200 -0.214 0.000 2.174 308 E HA 0.432 4.782 4.350 -0.000 0.000 0.282 308 E C 0.161 176.557 176.600 -0.339 0.000 0.992 308 E CA -0.329 55.925 56.400 -0.243 0.000 0.803 308 E CB 1.915 31.502 29.700 -0.188 0.000 1.090 308 E HN 0.525 nan 8.360 nan 0.000 0.396 309 A N 5.809 128.315 122.820 -0.524 0.000 2.579 309 A HA 0.175 4.495 4.320 -0.000 0.000 0.273 309 A C 0.902 177.892 177.584 -0.991 0.000 1.363 309 A CA -0.150 51.421 52.037 -0.777 0.000 0.953 309 A CB -0.345 17.971 19.000 -1.140 0.000 1.034 309 A HN 0.524 nan 8.150 nan 0.000 0.536 310 R N 0.878 121.026 120.500 -0.585 0.000 2.615 310 R HA 0.039 4.379 4.340 -0.000 0.000 0.448 310 R C -0.067 176.133 176.300 -0.166 0.000 1.009 310 R CA 0.785 56.624 56.100 -0.434 0.000 1.111 310 R CB -0.127 29.914 30.300 -0.432 0.000 1.461 310 R HN 0.610 nan 8.270 nan 0.000 0.587 311 D N 0.397 120.718 120.400 -0.131 0.000 3.068 311 D HA -0.301 4.339 4.640 -0.000 0.000 0.219 311 D C -0.572 175.701 176.300 -0.045 0.000 1.175 311 D CA 1.856 55.819 54.000 -0.062 0.000 0.942 311 D CB -0.756 40.032 40.800 -0.020 0.000 1.127 311 D HN 0.678 nan 8.370 nan 0.000 0.404 312 R N -1.814 118.651 120.500 -0.058 0.000 2.712 312 R HA 0.636 4.976 4.340 -0.000 0.000 0.272 312 R C -0.224 176.051 176.300 -0.041 0.000 1.032 312 R CA -0.627 55.454 56.100 -0.032 0.000 0.874 312 R CB 1.287 31.586 30.300 -0.002 0.000 1.256 312 R HN 0.043 nan 8.270 nan 0.000 0.468 313 V N -1.816 118.084 119.914 -0.024 0.000 3.302 313 V HA 0.880 5.000 4.120 -0.000 0.000 0.316 313 V C 1.037 177.132 176.094 0.002 0.000 1.111 313 V CA 0.179 62.465 62.300 -0.024 0.000 1.029 313 V CB 0.839 32.647 31.823 -0.026 0.000 1.170 313 V HN 1.258 nan 8.190 nan 0.000 0.452 314 G N -1.210 107.591 108.800 0.001 0.000 2.234 314 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.235 314 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.235 314 G C 1.567 176.489 174.900 0.036 0.000 0.997 314 G CA 0.806 45.912 45.100 0.011 0.000 0.623 314 G HN 2.524 nan 8.290 nan 0.000 0.514 315 G N 0.522 109.358 108.800 0.060 0.000 2.693 315 G HA2 -0.464 3.496 3.960 -0.000 0.000 0.354 315 G HA3 -0.464 3.496 3.960 -0.000 0.000 0.354 315 G C 1.039 176.067 174.900 0.213 0.000 1.207 315 G CA 1.671 46.846 45.100 0.126 0.000 0.958 315 G HN 1.154 nan 8.290 nan 0.000 0.560 316 R N -0.210 120.381 120.500 0.152 0.000 2.346 316 R HA 0.247 4.587 4.340 -0.000 0.000 0.199 316 R C 0.243 176.534 176.300 -0.014 0.000 1.015 316 R CA 0.254 56.386 56.100 0.053 0.000 1.058 316 R CB -0.056 30.177 30.300 -0.113 0.000 0.921 316 R HN 0.171 nan 8.270 nan 0.000 0.475 317 V N 1.475 121.400 119.914 0.018 0.000 2.220 317 V HA 0.350 4.470 4.120 -0.000 0.000 0.265 317 V C -0.348 175.801 176.094 0.093 0.000 1.078 317 V CA -0.562 61.709 62.300 -0.050 0.000 0.872 317 V CB 1.001 32.700 31.823 -0.207 0.000 1.121 317 V HN 0.110 nan 8.190 nan 0.000 0.460 318 A N 3.089 126.034 122.820 0.208 0.000 2.287 318 A HA 0.794 5.114 4.320 -0.000 0.000 0.317 318 A C 0.109 177.825 177.584 0.219 0.000 1.220 318 A CA -0.358 51.820 52.037 0.235 0.000 0.835 318 A CB 0.940 20.139 19.000 0.332 0.000 1.180 318 A HN 0.516 nan 8.150 nan 0.000 0.500 319 T N 2.578 117.236 114.554 0.174 0.000 2.779 319 T HA 0.427 4.777 4.350 -0.000 0.000 0.280 319 T C -0.635 174.167 174.700 0.170 0.000 0.987 319 T CA -0.090 62.112 62.100 0.170 0.000 0.966 319 T CB 0.463 69.411 68.868 0.132 0.000 0.933 319 T HN 0.479 nan 8.240 nan 0.000 0.442 320 F N 4.374 124.344 119.950 0.034 0.000 2.445 320 F HA 0.468 4.995 4.527 -0.000 0.000 0.359 320 F C 0.373 176.180 175.800 0.012 0.000 1.101 320 F CA -0.648 57.364 58.000 0.021 0.000 1.177 320 F CB 0.297 39.305 39.000 0.013 0.000 1.110 320 F HN 0.388 nan 8.300 nan 0.000 0.522 321 R N 5.982 126.161 120.500 -0.534 0.000 2.412 321 R HA 0.258 4.598 4.340 -0.000 0.000 0.304 321 R C -1.215 174.724 176.300 -0.602 0.000 1.066 321 R CA -0.795 55.032 56.100 -0.456 0.000 0.923 321 R CB 1.413 31.594 30.300 -0.199 0.000 1.156 321 R HN 0.579 nan 8.270 nan 0.000 0.513 322 K N 1.855 121.847 120.400 -0.679 0.000 2.559 322 K HA 0.370 4.690 4.320 -0.000 0.000 0.249 322 K C 0.594 177.052 176.600 -0.236 0.000 0.958 322 K CA 0.166 56.194 56.287 -0.433 0.000 0.901 322 K CB 1.232 33.468 32.500 -0.439 0.000 1.124 322 K HN 0.580 nan 8.250 nan 0.000 0.437 323 G N 4.107 112.789 108.800 -0.197 0.000 4.610 323 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.323 323 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.323 323 G C 0.669 175.459 174.900 -0.184 0.000 1.377 323 G CA 0.834 45.820 45.100 -0.190 0.000 1.023 323 G HN 0.634 nan 8.290 nan 0.000 0.755 324 N N -0.665 117.874 118.700 -0.268 0.000 2.143 324 N HA 0.308 5.048 4.740 -0.000 0.000 0.222 324 N C 0.028 175.515 175.510 -0.039 0.000 1.264 324 N CA -0.088 52.861 53.050 -0.169 0.000 0.897 324 N CB 0.488 38.855 38.487 -0.199 0.000 1.092 324 N HN 0.628 nan 8.380 nan 0.000 0.516 325 Y N -0.104 120.183 120.300 -0.022 0.000 2.335 325 Y HA 0.554 5.104 4.550 -0.000 0.000 0.323 325 Y C -0.062 175.781 175.900 -0.096 0.000 1.224 325 Y CA -1.064 57.032 58.100 -0.007 0.000 1.241 325 Y CB 1.404 39.921 38.460 0.095 0.000 1.235 325 Y HN -0.339 nan 8.280 nan 0.000 0.492 326 V N 0.892 120.816 119.914 0.017 0.000 2.808 326 V HA 0.585 4.705 4.120 -0.000 0.000 0.308 326 V C -0.093 175.790 176.094 -0.352 0.000 1.099 326 V CA -0.526 61.691 62.300 -0.139 0.000 0.920 326 V CB 1.287 33.011 31.823 -0.166 0.000 1.014 326 V HN 0.988 nan 8.190 nan 0.000 0.425 327 A N 1.516 124.267 122.820 -0.115 0.000 2.008 327 A HA 0.525 4.845 4.320 -0.000 0.000 0.201 327 A C 0.204 177.801 177.584 0.021 0.000 1.794 327 A CA 0.670 52.640 52.037 -0.113 0.000 0.952 327 A CB 0.180 19.271 19.000 0.151 0.000 1.147 327 A HN 0.855 nan 8.150 nan 0.000 0.589 328 D N -0.956 119.526 120.400 0.136 0.000 4.150 328 D HA -0.091 4.549 4.640 -0.000 0.000 0.231 328 D C 0.146 176.560 176.300 0.189 0.000 1.129 328 D CA 0.348 54.459 54.000 0.187 0.000 1.005 328 D CB -1.082 39.849 40.800 0.218 0.000 0.691 328 D HN 0.327 nan 8.370 nan 0.000 0.320 329 L N 0.612 121.980 121.223 0.241 0.000 2.477 329 L HA 0.209 4.549 4.340 -0.000 0.000 0.220 329 L C 2.076 179.206 176.870 0.433 0.000 1.106 329 L CA 0.910 55.941 54.840 0.318 0.000 0.851 329 L CB 0.111 42.358 42.059 0.314 0.000 0.994 329 L HN 0.346 nan 8.230 nan 0.000 0.462 330 G N -0.106 108.885 108.800 0.318 0.000 3.329 330 G HA2 0.501 4.461 3.960 -0.000 0.000 0.180 330 G HA3 0.501 4.461 3.960 -0.000 0.000 0.180 330 G C 0.042 174.946 174.900 0.006 0.000 1.640 330 G CA 0.202 45.350 45.100 0.079 0.000 1.018 330 G HN 0.190 nan 8.290 nan 0.000 0.581 331 A N -0.716 122.076 122.820 -0.048 0.000 2.507 331 A HA 0.475 4.795 4.320 -0.000 0.000 0.235 331 A C 0.792 178.514 177.584 0.230 0.000 1.070 331 A CA 1.122 53.166 52.037 0.012 0.000 0.768 331 A CB 0.490 19.376 19.000 -0.189 0.000 1.011 331 A HN 0.808 nan 8.150 nan 0.000 0.502 332 M N 1.453 121.199 119.600 0.244 0.000 1.905 332 M HA 0.200 4.680 4.480 -0.000 0.000 0.222 332 M C -0.854 175.500 176.300 0.090 0.000 1.280 332 M CA 0.443 55.847 55.300 0.173 0.000 0.985 332 M CB 0.533 33.114 32.600 -0.031 0.000 1.689 332 M HN 0.414 nan 8.290 nan 0.000 0.600 333 V N 2.274 122.244 119.914 0.092 0.000 2.617 333 V HA 0.398 4.518 4.120 -0.000 0.000 0.298 333 V C -0.229 175.915 176.094 0.084 0.000 1.048 333 V CA -0.740 61.601 62.300 0.068 0.000 0.964 333 V CB 1.570 33.458 31.823 0.108 0.000 1.004 333 V HN 0.099 nan 8.190 nan 0.000 0.466 334 V N 2.892 122.819 119.914 0.022 0.000 2.266 334 V HA 0.176 4.296 4.120 -0.000 0.000 0.271 334 V C 0.725 176.803 176.094 -0.026 0.000 1.032 334 V CA -0.412 61.900 62.300 0.020 0.000 0.806 334 V CB 0.990 32.791 31.823 -0.037 0.000 1.052 334 V HN 1.058 nan 8.190 nan 0.000 0.449 335 T N 1.209 115.672 114.554 -0.152 0.000 3.826 335 T HA 0.475 4.825 4.350 -0.000 0.000 0.239 335 T C 0.740 175.427 174.700 -0.021 0.000 1.007 335 T CA 0.569 62.365 62.100 -0.506 0.000 1.171 335 T CB -0.551 67.908 68.868 -0.681 0.000 1.153 335 T HN 1.653 nan 8.240 nan 0.000 0.854 336 G N 1.474 110.378 108.800 0.173 0.000 2.690 336 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.686 336 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.686 336 G C -0.126 174.827 174.900 0.088 0.000 1.277 336 G CA -0.495 44.753 45.100 0.247 0.000 0.799 336 G HN 0.645 nan 8.290 nan 0.000 0.613 337 L N 0.708 121.947 121.223 0.028 0.000 2.966 337 L HA 0.333 4.673 4.340 -0.000 0.000 0.262 337 L C 1.807 178.582 176.870 -0.158 0.000 1.165 337 L CA 0.421 55.199 54.840 -0.104 0.000 0.978 337 L CB 0.785 42.819 42.059 -0.041 0.000 1.337 337 L HN 0.855 nan 8.230 nan 0.000 0.563 338 G N 0.032 108.807 108.800 -0.041 0.000 2.605 338 G HA2 0.379 4.339 3.960 -0.000 0.000 0.301 338 G HA3 0.379 4.339 3.960 -0.000 0.000 0.301 338 G C 1.087 175.743 174.900 -0.406 0.000 0.881 338 G CA 0.577 45.685 45.100 0.012 0.000 1.553 338 G HN 0.373 nan 8.290 nan 0.000 0.483 339 G N 1.747 110.166 108.800 -0.634 0.000 2.137 339 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.237 339 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.237 339 G C 0.351 174.643 174.900 -1.013 0.000 1.002 339 G CA 0.065 44.718 45.100 -0.745 0.000 0.702 339 G HN 0.870 nan 8.290 nan 0.000 0.515 340 N N 0.734 118.755 118.700 -1.131 0.000 2.422 340 N HA 0.381 5.121 4.740 -0.000 0.000 0.266 340 N C -0.458 174.742 175.510 -0.517 0.000 1.007 340 N CA -1.859 50.384 53.050 -1.345 0.000 0.941 340 N CB 1.934 39.758 38.487 -1.106 0.000 1.115 340 N HN 0.084 nan 8.380 nan 0.000 0.492 341 P HA -0.119 nan 4.420 nan 0.000 0.222 341 P C 1.265 178.614 177.300 0.082 0.000 1.147 341 P CA 0.666 63.753 63.100 -0.022 0.000 0.790 341 P CB 0.368 32.008 31.700 -0.100 0.000 0.780 342 M N 0.164 119.761 119.600 -0.005 0.000 2.460 342 M HA 0.039 4.519 4.480 -0.000 0.000 0.263 342 M C 1.978 178.283 176.300 0.008 0.000 1.071 342 M CA 0.616 55.953 55.300 0.061 0.000 1.096 342 M CB -1.467 31.191 32.600 0.096 0.000 1.408 342 M HN -0.099 nan 8.290 nan 0.000 0.463 343 A N -1.492 121.289 122.820 -0.065 0.000 2.014 343 A HA -0.026 4.294 4.320 -0.000 0.000 0.218 343 A C 2.161 179.710 177.584 -0.059 0.000 1.163 343 A CA 1.409 53.401 52.037 -0.076 0.000 0.652 343 A CB -0.692 18.235 19.000 -0.122 0.000 0.808 343 A HN 0.294 nan 8.150 nan 0.000 0.449 344 V N -0.531 119.369 119.914 -0.023 0.000 2.273 344 V HA -0.182 3.938 4.120 -0.000 0.000 0.242 344 V C 2.566 178.624 176.094 -0.060 0.000 1.035 344 V CA 1.819 64.068 62.300 -0.085 0.000 1.013 344 V CB -0.824 30.956 31.823 -0.071 0.000 0.652 344 V HN 0.338 nan 8.190 nan 0.000 0.452 345 V N -0.195 119.751 119.914 0.054 0.000 2.278 345 V HA -0.327 3.793 4.120 -0.000 0.000 0.251 345 V C 2.681 178.795 176.094 0.034 0.000 1.062 345 V CA 2.530 64.876 62.300 0.075 0.000 1.038 345 V CB -0.982 30.934 31.823 0.155 0.000 0.646 345 V HN 0.589 nan 8.190 nan 0.000 0.447 346 S N 0.048 115.763 115.700 0.025 0.000 2.380 346 S HA -0.285 4.185 4.470 -0.000 0.000 0.229 346 S C 1.984 176.569 174.600 -0.025 0.000 1.043 346 S CA 2.293 60.492 58.200 -0.002 0.000 1.038 346 S CB -0.280 62.905 63.200 -0.024 0.000 0.872 346 S HN 0.849 nan 8.310 nan 0.000 0.456 347 K N -0.063 120.307 120.400 -0.051 0.000 2.361 347 K HA 0.101 4.421 4.320 -0.000 0.000 0.196 347 K C 1.942 178.501 176.600 -0.069 0.000 1.039 347 K CA 0.541 56.788 56.287 -0.067 0.000 1.001 347 K CB -0.230 32.213 32.500 -0.096 0.000 0.795 347 K HN 0.400 nan 8.250 nan 0.000 0.495 348 Q N 0.969 120.729 119.800 -0.066 0.000 2.123 348 Q HA -0.018 4.322 4.340 -0.000 0.000 0.199 348 Q C 1.822 177.811 176.000 -0.019 0.000 0.966 348 Q CA 1.149 56.922 55.803 -0.051 0.000 0.845 348 Q CB 0.182 28.903 28.738 -0.029 0.000 0.907 348 Q HN 0.119 nan 8.270 nan 0.000 0.439 349 V N 1.122 121.033 119.914 -0.006 0.000 3.608 349 V HA -0.043 4.077 4.120 -0.000 0.000 0.269 349 V C 0.008 176.103 176.094 0.001 0.000 1.245 349 V CA 0.181 62.486 62.300 0.007 0.000 1.138 349 V CB -0.418 31.423 31.823 0.030 0.000 0.841 349 V HN 0.458 nan 8.190 nan 0.000 0.451 350 N N 1.109 119.803 118.700 -0.011 0.000 2.708 350 N HA -0.193 4.547 4.740 -0.000 0.000 0.255 350 N C -0.289 175.219 175.510 -0.003 0.000 1.046 350 N CA 0.740 53.783 53.050 -0.012 0.000 0.715 350 N CB -0.625 37.856 38.487 -0.009 0.000 0.895 350 N HN 0.542 nan 8.380 nan 0.000 0.545 351 M N 0.837 120.433 119.600 -0.007 0.000 2.101 351 M HA 0.180 4.660 4.480 -0.000 0.000 0.340 351 M C 0.258 176.547 176.300 -0.018 0.000 1.057 351 M CA -0.488 54.808 55.300 -0.007 0.000 0.984 351 M CB 0.922 33.516 32.600 -0.010 0.000 1.560 351 M HN 0.128 nan 8.290 nan 0.000 0.435 352 E N 5.303 125.501 120.200 -0.004 0.000 2.351 352 E HA 0.222 4.572 4.350 -0.000 0.000 0.266 352 E C -1.617 174.976 176.600 -0.012 0.000 1.031 352 E CA -0.015 56.385 56.400 -0.001 0.000 0.911 352 E CB 0.634 30.346 29.700 0.020 0.000 0.986 352 E HN 0.744 nan 8.360 nan 0.000 0.446 353 L N 3.072 124.284 121.223 -0.018 0.000 2.322 353 L HA 0.789 5.129 4.340 -0.000 0.000 0.269 353 L C -0.401 176.470 176.870 0.002 0.000 1.012 353 L CA -0.931 53.894 54.840 -0.025 0.000 0.815 353 L CB 1.902 43.939 42.059 -0.036 0.000 1.295 353 L HN 0.634 nan 8.230 nan 0.000 0.438 354 A N 1.519 124.345 122.820 0.011 0.000 2.488 354 A HA 0.561 4.881 4.320 -0.000 0.000 0.298 354 A C -1.070 176.543 177.584 0.048 0.000 1.044 354 A CA -0.784 51.271 52.037 0.029 0.000 0.693 354 A CB 1.376 20.393 19.000 0.028 0.000 1.272 354 A HN 0.658 nan 8.150 nan 0.000 0.402 355 K N 0.829 121.262 120.400 0.056 0.000 2.276 355 K HA 0.390 4.710 4.320 -0.000 0.000 0.259 355 K C -0.739 175.914 176.600 0.089 0.000 1.001 355 K CA 0.293 56.625 56.287 0.075 0.000 0.927 355 K CB 0.635 33.173 32.500 0.063 0.000 0.969 355 K HN 0.573 nan 8.250 nan 0.000 0.490 356 I N 2.742 123.380 120.570 0.113 0.000 2.330 356 I HA 0.110 4.280 4.170 -0.000 0.000 0.289 356 I C -0.070 176.095 176.117 0.081 0.000 1.001 356 I CA -0.627 60.748 61.300 0.126 0.000 1.193 356 I CB 1.163 39.284 38.000 0.201 0.000 1.345 356 I HN 0.334 nan 8.210 nan 0.000 0.461 357 K N 6.600 127.037 120.400 0.061 0.000 2.419 357 K HA -0.039 4.281 4.320 -0.000 0.000 0.282 357 K C 1.291 177.902 176.600 0.017 0.000 1.056 357 K CA -0.217 56.092 56.287 0.037 0.000 1.035 357 K CB 0.641 33.163 32.500 0.036 0.000 0.921 357 K HN 0.535 nan 8.250 nan 0.000 0.472 358 Q N 2.477 122.286 119.800 0.015 0.000 2.124 358 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 358 Q C 0.304 176.295 176.000 -0.014 0.000 0.977 358 Q CA 1.319 57.124 55.803 0.003 0.000 0.850 358 Q CB -0.411 28.333 28.738 0.010 0.000 0.901 358 Q HN 0.276 nan 8.270 nan 0.000 0.429 359 K N 1.057 121.451 120.400 -0.010 0.000 2.504 359 K HA -0.009 4.311 4.320 -0.000 0.000 0.278 359 K C -1.360 175.220 176.600 -0.033 0.000 1.025 359 K CA 0.344 56.619 56.287 -0.019 0.000 1.093 359 K CB 0.051 32.548 32.500 -0.005 0.000 0.873 359 K HN 0.401 nan 8.250 nan 0.000 0.483 360 C N 8.489 127.754 119.300 -0.059 0.000 2.705 360 C HA 0.586 5.046 4.460 -0.000 0.000 0.369 360 C C -2.828 172.083 174.990 -0.132 0.000 1.069 360 C CA -1.356 57.614 59.018 -0.079 0.000 1.260 360 C CB 1.094 28.758 27.740 -0.126 0.000 1.764 360 C HN 0.879 nan 8.230 nan 0.000 0.469 361 P HA 0.505 nan 4.420 nan 0.000 0.293 361 P C -1.449 175.664 177.300 -0.311 0.000 1.291 361 P CA -0.419 62.541 63.100 -0.234 0.000 0.867 361 P CB 1.494 33.057 31.700 -0.228 0.000 1.074 362 L N 3.243 124.161 121.223 -0.508 0.000 2.296 362 L HA 0.391 4.731 4.340 -0.000 0.000 0.286 362 L C -0.429 176.126 176.870 -0.525 0.000 1.023 362 L CA -0.883 53.655 54.840 -0.504 0.000 0.812 362 L CB 0.643 42.328 42.059 -0.623 0.000 1.223 362 L HN 0.345 nan 8.230 nan 0.000 0.421 363 Y N 1.616 121.817 120.300 -0.166 0.000 2.331 363 Y HA 0.303 4.853 4.550 -0.000 0.000 0.338 363 Y C 0.657 176.523 175.900 -0.057 0.000 0.992 363 Y CA -0.748 57.286 58.100 -0.111 0.000 1.121 363 Y CB 1.033 39.430 38.460 -0.105 0.000 1.184 363 Y HN 0.553 nan 8.280 nan 0.000 0.469 364 E N 1.209 121.425 120.200 0.027 0.000 2.569 364 E HA 0.185 4.535 4.350 -0.000 0.000 0.258 364 E C 0.405 177.069 176.600 0.107 0.000 1.390 364 E CA 0.218 56.629 56.400 0.019 0.000 1.049 364 E CB 0.432 30.128 29.700 -0.008 0.000 1.009 364 E HN 0.802 nan 8.360 nan 0.000 0.580 365 A N 1.442 124.314 122.820 0.086 0.000 2.223 365 A HA -0.039 4.281 4.320 -0.000 0.000 0.222 365 A C 0.326 178.001 177.584 0.152 0.000 1.317 365 A CA 0.450 52.598 52.037 0.186 0.000 0.985 365 A CB -0.519 18.566 19.000 0.141 0.000 0.858 365 A HN 0.433 nan 8.150 nan 0.000 0.496 366 N N -2.008 116.761 118.700 0.115 0.000 2.075 366 N HA 0.148 4.888 4.740 -0.000 0.000 0.226 366 N C 1.103 176.647 175.510 0.055 0.000 1.343 366 N CA 0.868 53.961 53.050 0.071 0.000 0.881 366 N CB 1.176 39.689 38.487 0.043 0.000 1.100 366 N HN 0.579 nan 8.380 nan 0.000 0.495 367 G N 0.982 109.835 108.800 0.088 0.000 2.278 367 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.210 367 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.210 367 G C -0.077 174.908 174.900 0.141 0.000 1.000 367 G CA -0.465 44.685 45.100 0.082 0.000 0.635 367 G HN 0.134 nan 8.290 nan 0.000 0.495 368 Q N 0.778 120.607 119.800 0.047 0.000 2.339 368 Q HA 0.325 4.665 4.340 -0.000 0.000 0.308 368 Q C 1.481 177.408 176.000 -0.122 0.000 1.097 368 Q CA 0.750 56.538 55.803 -0.025 0.000 1.007 368 Q CB 0.779 29.496 28.738 -0.036 0.000 1.051 368 Q HN 0.877 nan 8.270 nan 0.000 0.381 369 A N 3.080 125.762 122.820 -0.230 0.000 2.264 369 A HA 0.082 4.402 4.320 -0.000 0.000 0.207 369 A C 0.420 177.745 177.584 -0.431 0.000 1.196 369 A CA -0.009 51.701 52.037 -0.546 0.000 0.778 369 A CB -0.041 18.679 19.000 -0.466 0.000 0.779 369 A HN 0.591 nan 8.150 nan 0.000 0.483 370 V N 0.061 119.816 119.914 -0.266 0.000 3.973 370 V HA -0.130 3.990 4.120 -0.000 0.000 0.478 370 V C -2.154 173.825 176.094 -0.192 0.000 0.682 370 V CA -0.049 62.124 62.300 -0.212 0.000 1.931 370 V CB -1.455 30.223 31.823 -0.242 0.000 2.329 370 V HN 0.668 nan 8.190 nan 0.000 0.500 371 P HA -0.017 nan 4.420 nan 0.000 0.258 371 P C 0.976 178.209 177.300 -0.111 0.000 1.172 371 P CA 0.323 63.354 63.100 -0.114 0.000 0.762 371 P CB 0.674 32.323 31.700 -0.086 0.000 0.764 372 K N 3.791 124.126 120.400 -0.109 0.000 2.184 372 K HA -0.268 4.052 4.320 -0.000 0.000 0.210 372 K C 1.427 177.981 176.600 -0.076 0.000 1.048 372 K CA 2.141 58.370 56.287 -0.095 0.000 0.931 372 K CB 0.008 32.461 32.500 -0.079 0.000 0.718 372 K HN 0.464 nan 8.250 nan 0.000 0.465 373 E N -0.044 120.115 120.200 -0.067 0.000 2.072 373 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 373 E C 2.106 178.671 176.600 -0.059 0.000 0.985 373 E CA 1.037 57.404 56.400 -0.056 0.000 0.801 373 E CB -0.001 29.669 29.700 -0.049 0.000 0.750 373 E HN 0.312 nan 8.360 nan 0.000 0.452 374 K N 1.068 121.427 120.400 -0.068 0.000 2.057 374 K HA -0.203 4.117 4.320 -0.000 0.000 0.206 374 K C 1.882 178.442 176.600 -0.067 0.000 1.050 374 K CA 1.693 57.939 56.287 -0.068 0.000 0.935 374 K CB -0.008 32.448 32.500 -0.074 0.000 0.715 374 K HN -0.051 nan 8.250 nan 0.000 0.439 375 D N 0.530 120.882 120.400 -0.081 0.000 2.182 375 D HA -0.166 4.474 4.640 -0.000 0.000 0.201 375 D C 1.432 177.709 176.300 -0.038 0.000 0.986 375 D CA 1.406 55.361 54.000 -0.074 0.000 0.847 375 D CB 0.203 40.929 40.800 -0.123 0.000 0.942 375 D HN 0.331 nan 8.370 nan 0.000 0.467 376 E N -0.712 119.461 120.200 -0.045 0.000 2.076 376 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 376 E C 2.022 178.601 176.600 -0.035 0.000 0.979 376 E CA 0.289 56.670 56.400 -0.031 0.000 0.807 376 E CB -0.158 29.523 29.700 -0.031 0.000 0.761 376 E HN 0.352 nan 8.360 nan 0.000 0.454 377 M N 1.241 120.815 119.600 -0.044 0.000 2.067 377 M HA -0.158 4.322 4.480 -0.000 0.000 0.260 377 M C 2.250 178.514 176.300 -0.060 0.000 1.069 377 M CA 1.480 56.750 55.300 -0.050 0.000 1.117 377 M CB -0.245 32.319 32.600 -0.060 0.000 1.334 377 M HN -0.002 nan 8.290 nan 0.000 0.407 378 V N 1.074 120.948 119.914 -0.066 0.000 2.233 378 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 378 V C 2.378 178.391 176.094 -0.134 0.000 1.050 378 V CA 2.519 64.772 62.300 -0.078 0.000 1.010 378 V CB -1.198 30.604 31.823 -0.036 0.000 0.637 378 V HN 0.614 nan 8.190 nan 0.000 0.444 379 E N -0.350 119.743 120.200 -0.179 0.000 2.130 379 E HA -0.288 4.062 4.350 -0.000 0.000 0.196 379 E C 2.268 178.809 176.600 -0.099 0.000 0.998 379 E CA 1.654 57.833 56.400 -0.369 0.000 0.806 379 E CB -0.131 29.491 29.700 -0.129 0.000 0.738 379 E HN 0.652 nan 8.360 nan 0.000 0.459 380 Q N -0.103 119.675 119.800 -0.036 0.000 2.079 380 Q HA -0.181 4.159 4.340 -0.000 0.000 0.200 380 Q C 2.029 178.040 176.000 0.018 0.000 0.974 380 Q CA 1.313 57.121 55.803 0.009 0.000 0.840 380 Q CB -0.072 28.665 28.738 -0.001 0.000 0.898 380 Q HN 0.203 nan 8.270 nan 0.000 0.430 381 E N 0.363 120.563 120.200 0.000 0.000 2.338 381 E HA -0.130 4.220 4.350 -0.000 0.000 0.197 381 E C 1.329 177.963 176.600 0.057 0.000 1.007 381 E CA 0.430 56.847 56.400 0.028 0.000 0.849 381 E CB -0.174 29.520 29.700 -0.011 0.000 0.774 381 E HN 0.291 nan 8.360 nan 0.000 0.506 382 F N 1.007 120.871 119.950 -0.143 0.000 2.074 382 F HA -0.089 4.438 4.527 -0.000 0.000 0.290 382 F C 1.702 177.492 175.800 -0.016 0.000 1.118 382 F CA 1.464 59.373 58.000 -0.151 0.000 1.199 382 F CB -0.501 38.269 39.000 -0.384 0.000 1.012 382 F HN -0.006 nan 8.300 nan 0.000 0.472 383 N N 0.876 119.568 118.700 -0.014 0.000 2.137 383 N HA -0.203 4.537 4.740 -0.000 0.000 0.190 383 N C 2.040 177.500 175.510 -0.083 0.000 1.017 383 N CA 1.295 54.300 53.050 -0.075 0.000 0.859 383 N CB -0.609 37.933 38.487 0.091 0.000 1.002 383 N HN 0.403 nan 8.380 nan 0.000 0.428 384 R N 0.802 121.284 120.500 -0.031 0.000 2.080 384 R HA -0.015 4.325 4.340 -0.000 0.000 0.236 384 R C 2.413 178.704 176.300 -0.015 0.000 1.137 384 R CA 0.940 57.037 56.100 -0.005 0.000 0.943 384 R CB -0.452 29.867 30.300 0.031 0.000 0.846 384 R HN 0.205 nan 8.270 nan 0.000 0.431 385 L N 0.414 121.626 121.223 -0.018 0.000 1.989 385 L HA -0.254 4.086 4.340 -0.000 0.000 0.211 385 L C 2.497 179.343 176.870 -0.040 0.000 1.071 385 L CA 0.907 55.749 54.840 0.004 0.000 0.749 385 L CB -0.516 41.585 42.059 0.070 0.000 0.890 385 L HN 0.236 nan 8.230 nan 0.000 0.431 386 L N 0.665 121.791 121.223 -0.162 0.000 2.043 386 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 386 L C 2.567 179.442 176.870 0.009 0.000 1.075 386 L CA 2.351 57.115 54.840 -0.126 0.000 0.752 386 L CB -0.782 41.087 42.059 -0.317 0.000 0.891 386 L HN 0.443 nan 8.230 nan 0.000 0.432 387 E N -0.637 119.565 120.200 0.003 0.000 2.150 387 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 387 E C 1.973 178.620 176.600 0.079 0.000 0.985 387 E CA 1.327 57.761 56.400 0.057 0.000 0.814 387 E CB -0.456 29.267 29.700 0.039 0.000 0.752 387 E HN 0.398 nan 8.360 nan 0.000 0.466 388 A N 0.412 123.260 122.820 0.047 0.000 1.877 388 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 388 A C 2.533 180.180 177.584 0.105 0.000 1.186 388 A CA 2.062 54.133 52.037 0.057 0.000 0.620 388 A CB -1.392 17.619 19.000 0.019 0.000 0.822 388 A HN 0.386 nan 8.150 nan 0.000 0.443 389 T N -0.544 114.054 114.554 0.074 0.000 2.624 389 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 389 T C 2.275 177.024 174.700 0.082 0.000 1.041 389 T CA 2.199 64.346 62.100 0.077 0.000 1.159 389 T CB -0.377 68.533 68.868 0.070 0.000 0.863 389 T HN 0.606 nan 8.240 nan 0.000 0.434 390 S N -0.693 115.075 115.700 0.113 0.000 2.400 390 S HA -0.165 4.305 4.470 -0.000 0.000 0.232 390 S C 1.814 176.455 174.600 0.067 0.000 1.025 390 S CA 1.516 59.775 58.200 0.099 0.000 0.993 390 S CB -0.524 62.793 63.200 0.195 0.000 0.808 390 S HN 0.659 nan 8.310 nan 0.000 0.478 391 Y N 1.688 121.993 120.300 0.009 0.000 2.153 391 Y HA 0.079 4.628 4.550 -0.000 0.000 0.289 391 Y C 1.995 177.884 175.900 -0.017 0.000 1.127 391 Y CA 1.601 59.707 58.100 0.010 0.000 1.131 391 Y CB -0.471 37.992 38.460 0.005 0.000 0.995 391 Y HN 0.214 nan 8.280 nan 0.000 0.505 392 L N -0.899 120.362 121.223 0.063 0.000 2.129 392 L HA -0.284 4.055 4.340 -0.000 0.000 0.212 392 L C 2.707 179.564 176.870 -0.020 0.000 1.087 392 L CA 1.733 56.569 54.840 -0.007 0.000 0.757 392 L CB -0.726 41.346 42.059 0.022 0.000 0.896 392 L HN 0.261 nan 8.230 nan 0.000 0.434 393 S N -1.237 114.387 115.700 -0.125 0.000 2.341 393 S HA -0.087 4.383 4.470 -0.000 0.000 0.216 393 S C 1.752 176.158 174.600 -0.324 0.000 1.034 393 S CA 0.489 58.521 58.200 -0.280 0.000 0.964 393 S CB -0.096 62.770 63.200 -0.557 0.000 0.882 393 S HN 0.464 nan 8.310 nan 0.000 0.469 394 H N 0.135 119.173 119.070 -0.053 0.000 2.526 394 H HA 0.383 4.939 4.556 -0.000 0.000 0.274 394 H C 1.217 176.457 175.328 -0.147 0.000 0.999 394 H CA 0.235 56.236 56.048 -0.077 0.000 1.157 394 H CB 0.341 30.076 29.762 -0.045 0.000 1.407 394 H HN 0.380 nan 8.280 nan 0.000 0.568 395 Q N -0.242 119.424 119.800 -0.224 0.000 2.215 395 Q HA 0.124 4.464 4.340 -0.000 0.000 0.257 395 Q C 0.692 176.486 176.000 -0.342 0.000 0.792 395 Q CA 0.176 55.750 55.803 -0.382 0.000 0.958 395 Q CB 1.034 29.226 28.738 -0.910 0.000 1.158 395 Q HN 0.250 nan 8.270 nan 0.000 0.490 396 L N 0.496 121.552 121.223 -0.279 0.000 2.966 396 L HA 0.191 4.531 4.340 -0.000 0.000 0.262 396 L C -0.160 176.700 176.870 -0.017 0.000 1.165 396 L CA 0.383 55.144 54.840 -0.133 0.000 0.978 396 L CB 0.568 42.553 42.059 -0.122 0.000 1.337 396 L HN 0.040 nan 8.230 nan 0.000 0.563 397 D N -0.371 120.016 120.400 -0.022 0.000 2.708 397 D HA -0.334 4.306 4.640 -0.000 0.000 0.236 397 D C 0.228 176.570 176.300 0.070 0.000 1.146 397 D CA 0.358 54.366 54.000 0.014 0.000 0.662 397 D CB -1.191 39.616 40.800 0.012 0.000 1.059 397 D HN 0.163 nan 8.370 nan 0.000 0.428 398 F N 0.778 120.677 119.950 -0.085 0.000 2.666 398 F HA 0.330 4.857 4.527 -0.000 0.000 0.362 398 F C 0.949 176.710 175.800 -0.065 0.000 1.190 398 F CA -0.163 57.798 58.000 -0.064 0.000 1.328 398 F CB -0.325 38.638 39.000 -0.061 0.000 1.682 398 F HN 0.054 nan 8.300 nan 0.000 0.623 399 N N 0.772 119.370 118.700 -0.170 0.000 2.294 399 N HA 0.100 4.840 4.740 -0.000 0.000 0.186 399 N C -0.624 174.756 175.510 -0.217 0.000 1.107 399 N CA 0.401 53.336 53.050 -0.192 0.000 0.884 399 N CB 1.327 39.755 38.487 -0.098 0.000 1.030 399 N HN 0.142 nan 8.380 nan 0.000 0.482 400 V N 2.078 121.858 119.914 -0.224 0.000 2.462 400 V HA 0.366 4.486 4.120 -0.000 0.000 0.288 400 V C -0.871 175.100 176.094 -0.205 0.000 1.020 400 V CA -0.796 61.399 62.300 -0.176 0.000 0.857 400 V CB 2.097 33.868 31.823 -0.088 0.000 1.013 400 V HN -0.051 nan 8.190 nan 0.000 0.431 401 L N 5.168 126.242 121.223 -0.247 0.000 2.294 401 L HA 0.680 5.020 4.340 -0.000 0.000 0.283 401 L C 0.301 177.109 176.870 -0.104 0.000 1.015 401 L CA 0.522 55.244 54.840 -0.196 0.000 0.831 401 L CB 0.818 42.703 42.059 -0.290 0.000 1.217 401 L HN 0.723 nan 8.230 nan 0.000 0.420 402 N N 3.872 122.536 118.700 -0.060 0.000 2.771 402 N HA -0.251 4.489 4.740 -0.000 0.000 0.249 402 N C 0.490 175.977 175.510 -0.039 0.000 1.069 402 N CA 0.966 53.993 53.050 -0.038 0.000 0.688 402 N CB -1.530 36.938 38.487 -0.032 0.000 0.928 402 N HN 0.904 nan 8.380 nan 0.000 0.551 403 N N -1.237 117.440 118.700 -0.039 0.000 2.650 403 N HA -0.260 4.480 4.740 -0.000 0.000 0.249 403 N C -0.682 174.806 175.510 -0.037 0.000 1.155 403 N CA 2.044 55.075 53.050 -0.032 0.000 0.747 403 N CB -0.210 38.264 38.487 -0.021 0.000 1.132 403 N HN 0.643 nan 8.380 nan 0.000 0.564 404 K N -0.401 119.966 120.400 -0.054 0.000 2.259 404 K HA 0.500 4.820 4.320 -0.000 0.000 0.249 404 K C -2.682 173.872 176.600 -0.078 0.000 0.942 404 K CA -2.174 54.080 56.287 -0.055 0.000 0.816 404 K CB 1.651 34.118 32.500 -0.055 0.000 1.155 404 K HN -0.114 nan 8.250 nan 0.000 0.428 405 P HA 0.071 nan 4.420 nan 0.000 0.280 405 P C -0.991 176.250 177.300 -0.098 0.000 1.244 405 P CA -0.475 62.587 63.100 -0.064 0.000 0.784 405 P CB 0.810 32.500 31.700 -0.016 0.000 0.913 406 V N 3.272 123.096 119.914 -0.150 0.000 2.555 406 V HA 0.215 4.335 4.120 -0.000 0.000 0.286 406 V C 0.844 176.882 176.094 -0.094 0.000 1.044 406 V CA 0.068 62.259 62.300 -0.182 0.000 1.026 406 V CB 0.689 32.318 31.823 -0.324 0.000 0.981 406 V HN 0.671 nan 8.190 nan 0.000 0.480 407 S N 4.530 120.181 115.700 -0.081 0.000 2.687 407 S HA 0.460 4.930 4.470 -0.000 0.000 0.283 407 S C 0.657 175.204 174.600 -0.088 0.000 1.170 407 S CA -0.659 57.501 58.200 -0.067 0.000 1.008 407 S CB 1.586 64.740 63.200 -0.077 0.000 1.026 407 S HN 0.510 nan 8.310 nan 0.000 0.541 408 L N 2.457 123.598 121.223 -0.138 0.000 2.017 408 L HA 0.151 4.491 4.340 -0.000 0.000 0.208 408 L C 2.391 179.137 176.870 -0.208 0.000 1.073 408 L CA 2.602 57.315 54.840 -0.210 0.000 0.745 408 L CB -1.543 40.218 42.059 -0.496 0.000 0.894 408 L HN 0.996 nan 8.230 nan 0.000 0.432 409 G N -1.504 107.152 108.800 -0.239 0.000 2.450 409 G HA2 -0.336 3.623 3.960 -0.000 0.000 0.220 409 G HA3 -0.336 3.623 3.960 -0.000 0.000 0.220 409 G C 1.495 176.294 174.900 -0.168 0.000 1.130 409 G CA 0.811 45.762 45.100 -0.249 0.000 0.760 409 G HN 0.573 nan 8.290 nan 0.000 0.557 410 Q N 0.112 119.845 119.800 -0.112 0.000 2.020 410 Q HA -0.013 4.327 4.340 -0.000 0.000 0.202 410 Q C 2.832 178.830 176.000 -0.003 0.000 0.982 410 Q CA 1.586 57.355 55.803 -0.057 0.000 0.838 410 Q CB -0.322 28.385 28.738 -0.052 0.000 0.899 410 Q HN 0.390 nan 8.270 nan 0.000 0.423 411 A N 0.750 123.585 122.820 0.024 0.000 1.902 411 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 411 A C 2.082 179.674 177.584 0.013 0.000 1.181 411 A CA 1.104 53.202 52.037 0.101 0.000 0.623 411 A CB -0.735 18.342 19.000 0.129 0.000 0.818 411 A HN 0.464 nan 8.150 nan 0.000 0.443 412 L N -0.492 120.697 121.223 -0.057 0.000 2.042 412 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 412 L C 2.460 179.296 176.870 -0.058 0.000 1.076 412 L CA 1.347 56.141 54.840 -0.077 0.000 0.749 412 L CB -0.437 41.496 42.059 -0.210 0.000 0.893 412 L HN 0.317 nan 8.230 nan 0.000 0.432 413 E N -0.511 119.643 120.200 -0.077 0.000 2.347 413 E HA -0.103 4.247 4.350 -0.000 0.000 0.196 413 E C 2.209 178.786 176.600 -0.037 0.000 1.008 413 E CA 0.680 57.047 56.400 -0.054 0.000 0.852 413 E CB -0.034 29.630 29.700 -0.061 0.000 0.783 413 E HN 0.333 nan 8.360 nan 0.000 0.505 414 V N 0.323 120.223 119.914 -0.023 0.000 2.273 414 V HA -0.180 3.940 4.120 -0.000 0.000 0.242 414 V C 2.497 178.539 176.094 -0.087 0.000 1.035 414 V CA 1.124 63.399 62.300 -0.041 0.000 1.013 414 V CB -0.612 31.199 31.823 -0.020 0.000 0.652 414 V HN 0.043 nan 8.190 nan 0.000 0.452 415 V N 0.227 120.098 119.914 -0.072 0.000 2.282 415 V HA -0.325 3.795 4.120 -0.000 0.000 0.249 415 V C 2.244 178.265 176.094 -0.122 0.000 1.057 415 V CA 2.404 64.656 62.300 -0.080 0.000 1.032 415 V CB -0.655 31.149 31.823 -0.031 0.000 0.645 415 V HN 0.423 nan 8.190 nan 0.000 0.447 416 I N -0.476 120.038 120.570 -0.093 0.000 2.127 416 I HA -0.362 3.808 4.170 -0.000 0.000 0.241 416 I C 2.729 178.696 176.117 -0.250 0.000 1.075 416 I CA 2.135 63.341 61.300 -0.157 0.000 1.334 416 I CB -0.435 37.566 38.000 0.001 0.000 1.040 416 I HN 0.372 nan 8.210 nan 0.000 0.405 417 Q N 0.568 120.276 119.800 -0.153 0.000 2.297 417 Q HA -0.200 4.140 4.340 -0.000 0.000 0.208 417 Q C 2.250 178.120 176.000 -0.216 0.000 0.981 417 Q CA 1.221 56.934 55.803 -0.151 0.000 0.876 417 Q CB 0.073 28.752 28.738 -0.098 0.000 0.921 417 Q HN 0.561 nan 8.270 nan 0.000 0.446 418 L N -0.556 120.516 121.223 -0.252 0.000 2.131 418 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 418 L C 2.285 178.832 176.870 -0.539 0.000 1.087 418 L CA 0.882 55.513 54.840 -0.349 0.000 0.767 418 L CB -0.150 41.752 42.059 -0.262 0.000 0.917 418 L HN 0.248 nan 8.230 nan 0.000 0.441 419 Q N -0.011 119.538 119.800 -0.418 0.000 2.230 419 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 419 Q C 1.929 177.701 176.000 -0.380 0.000 0.963 419 Q CA 1.063 56.654 55.803 -0.355 0.000 0.866 419 Q CB 0.213 28.549 28.738 -0.669 0.000 0.931 419 Q HN 0.395 nan 8.270 nan 0.000 0.452 420 E N -0.277 119.682 120.200 -0.403 0.000 2.204 420 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 420 E C 1.580 178.099 176.600 -0.136 0.000 0.989 420 E CA 0.817 57.104 56.400 -0.187 0.000 0.824 420 E CB 0.147 29.767 29.700 -0.132 0.000 0.756 420 E HN 0.044 nan 8.360 nan 0.000 0.477 421 K N 0.373 120.631 120.400 -0.237 0.000 1.991 421 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 421 K C 1.931 178.442 176.600 -0.149 0.000 1.045 421 K CA 1.423 57.579 56.287 -0.219 0.000 0.937 421 K CB -0.218 32.090 32.500 -0.320 0.000 0.720 421 K HN 0.126 nan 8.250 nan 0.000 0.438 422 H N 0.079 119.119 119.070 -0.050 0.000 2.357 422 H HA -0.134 4.422 4.556 -0.000 0.000 0.296 422 H C 2.170 177.499 175.328 0.002 0.000 1.108 422 H CA 1.785 57.819 56.048 -0.023 0.000 1.273 422 H CB -0.669 29.078 29.762 -0.026 0.000 1.367 422 H HN 0.044 nan 8.280 nan 0.000 0.498 423 V N 1.094 121.081 119.914 0.121 0.000 2.237 423 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 423 V C 2.550 178.680 176.094 0.060 0.000 1.046 423 V CA 2.140 64.499 62.300 0.098 0.000 1.007 423 V CB -0.418 31.475 31.823 0.116 0.000 0.638 423 V HN 0.245 nan 8.190 nan 0.000 0.445 424 K N 0.069 120.486 120.400 0.028 0.000 2.280 424 K HA -0.173 4.147 4.320 -0.000 0.000 0.202 424 K C 1.500 178.116 176.600 0.026 0.000 1.047 424 K CA 1.419 57.714 56.287 0.013 0.000 0.942 424 K CB -0.409 32.082 32.500 -0.015 0.000 0.739 424 K HN 0.507 nan 8.250 nan 0.000 0.457 425 D N 0.367 120.790 120.400 0.039 0.000 2.121 425 D HA -0.147 4.493 4.640 -0.000 0.000 0.209 425 D C 1.390 177.738 176.300 0.080 0.000 0.981 425 D CA 1.543 55.577 54.000 0.056 0.000 0.875 425 D CB -0.366 40.476 40.800 0.069 0.000 1.016 425 D HN 0.520 nan 8.370 nan 0.000 0.452 426 E N 0.719 120.971 120.200 0.087 0.000 2.501 426 E HA -0.230 4.120 4.350 -0.000 0.000 0.203 426 E C 1.700 178.362 176.600 0.103 0.000 1.072 426 E CA 0.781 57.234 56.400 0.088 0.000 0.885 426 E CB -0.147 29.593 29.700 0.068 0.000 0.813 426 E HN 0.313 nan 8.360 nan 0.000 0.556 427 Q N 0.386 120.243 119.800 0.096 0.000 2.269 427 Q HA 0.019 4.359 4.340 -0.000 0.000 0.201 427 Q C 1.951 178.060 176.000 0.181 0.000 0.946 427 Q CA 0.700 56.568 55.803 0.109 0.000 0.877 427 Q CB 0.192 28.969 28.738 0.065 0.000 0.963 427 Q HN 0.472 nan 8.270 nan 0.000 0.472 428 I N 0.282 120.947 120.570 0.158 0.000 2.852 428 I HA -0.102 4.068 4.170 -0.000 0.000 0.264 428 I C 1.473 177.743 176.117 0.254 0.000 1.179 428 I CA 0.514 61.941 61.300 0.212 0.000 1.480 428 I CB -0.025 38.050 38.000 0.126 0.000 1.111 428 I HN 0.191 nan 8.210 nan 0.000 0.441 429 E N 0.160 120.472 120.200 0.186 0.000 2.204 429 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 429 E C 1.758 178.458 176.600 0.166 0.000 0.990 429 E CA 1.148 57.638 56.400 0.149 0.000 0.821 429 E CB -0.125 29.645 29.700 0.116 0.000 0.750 429 E HN 0.524 nan 8.360 nan 0.000 0.477 430 H N -0.165 118.972 119.070 0.111 0.000 2.266 430 H HA -0.136 4.419 4.556 -0.000 0.000 0.309 430 H C 1.617 177.014 175.328 0.116 0.000 1.054 430 H CA 1.780 57.885 56.048 0.094 0.000 1.328 430 H CB -0.529 29.293 29.762 0.100 0.000 1.407 430 H HN 0.222 nan 8.280 nan 0.000 0.508 431 W N 1.981 123.347 121.300 0.110 0.000 2.279 431 W HA -0.316 4.344 4.660 -0.000 0.000 0.298 431 W C 2.187 178.692 176.519 -0.024 0.000 1.228 431 W CA 2.464 59.826 57.345 0.029 0.000 1.230 431 W CB -0.163 29.330 29.460 0.054 0.000 1.138 431 W HN 0.161 nan 8.180 nan 0.000 0.532 432 K N 0.806 121.256 120.400 0.083 0.000 1.965 432 K HA -0.234 4.086 4.320 -0.000 0.000 0.214 432 K C 2.227 178.663 176.600 -0.273 0.000 1.046 432 K CA 2.763 58.985 56.287 -0.108 0.000 0.944 432 K CB -0.708 31.841 32.500 0.081 0.000 0.726 432 K HN 0.292 nan 8.250 nan 0.000 0.441 433 K N 0.304 120.596 120.400 -0.179 0.000 2.360 433 K HA -0.099 4.221 4.320 -0.000 0.000 0.201 433 K C 1.976 178.418 176.600 -0.264 0.000 1.046 433 K CA 1.414 57.584 56.287 -0.194 0.000 0.945 433 K CB -0.246 32.174 32.500 -0.134 0.000 0.750 433 K HN 0.174 nan 8.250 nan 0.000 0.464 434 I N 1.251 121.607 120.570 -0.357 0.000 2.202 434 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 434 I C 2.213 178.122 176.117 -0.346 0.000 1.091 434 I CA 0.845 61.938 61.300 -0.345 0.000 1.368 434 I CB -0.061 37.725 38.000 -0.357 0.000 1.058 434 I HN -0.016 nan 8.210 nan 0.000 0.410 435 V N 0.649 120.259 119.914 -0.505 0.000 2.427 435 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 435 V C 2.193 178.108 176.094 -0.298 0.000 1.051 435 V CA 1.567 63.579 62.300 -0.480 0.000 1.048 435 V CB -0.502 30.846 31.823 -0.791 0.000 0.666 435 V HN 0.295 nan 8.190 nan 0.000 0.456 436 K N -0.310 119.934 120.400 -0.261 0.000 2.442 436 K HA -0.045 4.275 4.320 -0.000 0.000 0.198 436 K C 1.976 178.495 176.600 -0.135 0.000 1.042 436 K CA 1.017 57.203 56.287 -0.167 0.000 0.958 436 K CB -0.453 31.967 32.500 -0.133 0.000 0.766 436 K HN 0.428 nan 8.250 nan 0.000 0.474 437 T N 0.039 114.502 114.554 -0.152 0.000 3.004 437 T HA 0.001 4.351 4.350 -0.000 0.000 0.243 437 T C 1.449 176.082 174.700 -0.111 0.000 1.020 437 T CA 0.343 62.371 62.100 -0.119 0.000 1.145 437 T CB 0.094 68.889 68.868 -0.121 0.000 0.876 437 T HN 0.179 nan 8.240 nan 0.000 0.449 438 Q N 1.097 120.818 119.800 -0.132 0.000 2.152 438 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 438 Q C 2.058 178.004 176.000 -0.091 0.000 0.985 438 Q CA 1.459 57.197 55.803 -0.109 0.000 0.863 438 Q CB -0.172 28.489 28.738 -0.128 0.000 0.904 438 Q HN 0.609 nan 8.270 nan 0.000 0.422 439 E N 0.643 120.783 120.200 -0.101 0.000 2.152 439 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 439 E C 1.793 178.354 176.600 -0.066 0.000 0.983 439 E CA 0.636 56.989 56.400 -0.078 0.000 0.818 439 E CB 0.094 29.745 29.700 -0.082 0.000 0.758 439 E HN 0.416 nan 8.360 nan 0.000 0.467 440 E N 0.810 120.967 120.200 -0.071 0.000 2.072 440 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 440 E C 2.212 178.778 176.600 -0.058 0.000 0.985 440 E CA 0.636 56.999 56.400 -0.061 0.000 0.801 440 E CB 0.011 29.673 29.700 -0.064 0.000 0.750 440 E HN 0.234 nan 8.360 nan 0.000 0.452 441 L N 0.895 122.082 121.223 -0.060 0.000 2.046 441 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 441 L C 2.554 179.395 176.870 -0.048 0.000 1.077 441 L CA 1.053 55.860 54.840 -0.055 0.000 0.747 441 L CB -0.413 41.614 42.059 -0.053 0.000 0.896 441 L HN 0.036 nan 8.230 nan 0.000 0.432 442 K N 0.818 121.190 120.400 -0.046 0.000 2.147 442 K HA -0.219 4.101 4.320 -0.000 0.000 0.205 442 K C 1.937 178.517 176.600 -0.035 0.000 1.049 442 K CA 1.458 57.723 56.287 -0.037 0.000 0.936 442 K CB -0.099 32.380 32.500 -0.036 0.000 0.722 442 K HN 0.252 nan 8.250 nan 0.000 0.446 443 E N -0.461 119.715 120.200 -0.039 0.000 2.358 443 E HA -0.068 4.282 4.350 -0.000 0.000 0.195 443 E C 1.700 178.276 176.600 -0.039 0.000 1.010 443 E CA 0.410 56.788 56.400 -0.036 0.000 0.856 443 E CB 0.088 29.765 29.700 -0.037 0.000 0.795 443 E HN 0.420 nan 8.360 nan 0.000 0.504 444 L N -0.003 121.192 121.223 -0.047 0.000 2.357 444 L HA 0.091 4.431 4.340 -0.000 0.000 0.211 444 L C 1.989 178.824 176.870 -0.058 0.000 1.075 444 L CA 0.225 55.031 54.840 -0.058 0.000 0.830 444 L CB 0.087 42.105 42.059 -0.069 0.000 0.996 444 L HN 0.146 nan 8.230 nan 0.000 0.467 445 L N 0.264 121.459 121.223 -0.046 0.000 2.131 445 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 445 L C 2.164 179.022 176.870 -0.021 0.000 1.092 445 L CA 1.181 56.000 54.840 -0.035 0.000 0.759 445 L CB -0.592 41.452 42.059 -0.025 0.000 0.903 445 L HN 0.459 nan 8.230 nan 0.000 0.435 446 N N 0.017 118.704 118.700 -0.022 0.000 2.216 446 N HA -0.190 4.550 4.740 -0.000 0.000 0.183 446 N C 1.795 177.298 175.510 -0.011 0.000 1.017 446 N CA 0.939 53.982 53.050 -0.012 0.000 0.861 446 N CB 0.126 38.605 38.487 -0.014 0.000 0.986 446 N HN 0.303 nan 8.380 nan 0.000 0.428 447 K N 0.572 120.958 120.400 -0.024 0.000 2.148 447 K HA 0.009 4.329 4.320 -0.000 0.000 0.204 447 K C 2.048 178.635 176.600 -0.023 0.000 1.050 447 K CA 0.805 57.076 56.287 -0.027 0.000 0.942 447 K CB 0.141 32.615 32.500 -0.044 0.000 0.724 447 K HN 0.099 nan 8.250 nan 0.000 0.446 448 M N -0.343 119.235 119.600 -0.037 0.000 2.160 448 M HA -0.116 4.364 4.480 -0.000 0.000 0.264 448 M C 1.967 178.330 176.300 0.105 0.000 1.073 448 M CA 0.933 56.221 55.300 -0.020 0.000 1.142 448 M CB 0.204 32.738 32.600 -0.110 0.000 1.358 448 M HN -0.068 nan 8.290 nan 0.000 0.422 449 V N 0.849 120.799 119.914 0.060 0.000 2.594 449 V HA -0.247 3.873 4.120 -0.000 0.000 0.253 449 V C 1.997 178.120 176.094 0.047 0.000 1.069 449 V CA 1.446 63.781 62.300 0.059 0.000 1.082 449 V CB -0.887 30.953 31.823 0.028 0.000 0.680 449 V HN 0.514 nan 8.190 nan 0.000 0.469 450 N N -0.191 118.531 118.700 0.037 0.000 2.354 450 N HA -0.049 4.691 4.740 -0.000 0.000 0.179 450 N C 1.568 177.102 175.510 0.040 0.000 1.021 450 N CA 0.822 53.888 53.050 0.027 0.000 0.887 450 N CB 0.153 38.648 38.487 0.014 0.000 0.974 450 N HN 0.420 nan 8.380 nan 0.000 0.437 451 L N 1.313 122.581 121.223 0.074 0.000 2.446 451 L HA 0.113 4.453 4.340 -0.000 0.000 0.219 451 L C 1.603 178.534 176.870 0.101 0.000 1.116 451 L CA 1.137 56.039 54.840 0.102 0.000 0.844 451 L CB -0.047 42.109 42.059 0.163 0.000 0.970 451 L HN -0.118 nan 8.230 nan 0.000 0.457 452 K N -0.709 119.748 120.400 0.094 0.000 2.288 452 K HA -0.046 4.274 4.320 -0.000 0.000 0.201 452 K C 1.682 178.262 176.600 -0.033 0.000 1.048 452 K CA 0.763 57.048 56.287 -0.003 0.000 0.956 452 K CB 0.119 32.627 32.500 0.013 0.000 0.746 452 K HN 0.258 nan 8.250 nan 0.000 0.461 453 E N 1.184 121.382 120.200 -0.004 0.000 2.051 453 E HA -0.090 4.260 4.350 -0.000 0.000 0.189 453 E C 1.721 178.316 176.600 -0.008 0.000 0.979 453 E CA 1.072 57.466 56.400 -0.010 0.000 0.803 453 E CB 0.009 29.709 29.700 0.000 0.000 0.761 453 E HN 0.212 nan 8.360 nan 0.000 0.451 454 K N 0.936 121.336 120.400 0.001 0.000 2.103 454 K HA -0.094 4.226 4.320 -0.000 0.000 0.207 454 K C 2.172 178.766 176.600 -0.010 0.000 1.048 454 K CA 1.407 57.694 56.287 0.000 0.000 0.930 454 K CB -0.316 32.188 32.500 0.007 0.000 0.716 454 K HN 0.254 nan 8.250 nan 0.000 0.444 455 I N -2.468 118.086 120.570 -0.026 0.000 3.812 455 I HA 0.117 4.287 4.170 -0.000 0.000 0.320 455 I C 1.461 177.553 176.117 -0.042 0.000 1.276 455 I CA 0.413 61.685 61.300 -0.048 0.000 1.164 455 I CB 0.344 38.283 38.000 -0.102 0.000 1.009 455 I HN -0.163 nan 8.210 nan 0.000 0.431 456 K N 1.458 121.836 120.400 -0.036 0.000 2.367 456 K HA 0.091 4.411 4.320 -0.000 0.000 0.198 456 K C 1.903 178.523 176.600 0.032 0.000 1.132 456 K CA 0.810 57.068 56.287 -0.048 0.000 0.941 456 K CB 0.169 32.622 32.500 -0.077 0.000 1.052 456 K HN 0.330 nan 8.250 nan 0.000 0.507 457 E N 0.141 120.356 120.200 0.024 0.000 2.072 457 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 457 E C 1.734 178.368 176.600 0.056 0.000 0.985 457 E CA 1.128 57.550 56.400 0.037 0.000 0.801 457 E CB -0.126 29.586 29.700 0.020 0.000 0.750 457 E HN 0.142 nan 8.360 nan 0.000 0.452 458 L N 0.859 122.109 121.223 0.046 0.000 2.023 458 L HA -0.140 4.200 4.340 -0.000 0.000 0.205 458 L C 2.482 179.403 176.870 0.085 0.000 1.073 458 L CA 2.180 57.043 54.840 0.039 0.000 0.745 458 L CB -0.860 41.192 42.059 -0.013 0.000 0.900 458 L HN 0.407 nan 8.230 nan 0.000 0.435 459 H N -0.329 118.727 119.070 -0.023 0.000 2.431 459 H HA -0.272 4.284 4.556 -0.000 0.000 0.297 459 H C 1.972 177.358 175.328 0.097 0.000 1.115 459 H CA 2.421 58.476 56.048 0.011 0.000 1.277 459 H CB 0.119 29.865 29.762 -0.027 0.000 1.372 459 H HN 0.635 nan 8.280 nan 0.000 0.516 460 Q N 0.014 119.958 119.800 0.239 0.000 2.134 460 Q HA -0.058 4.282 4.340 -0.000 0.000 0.195 460 Q C 2.330 178.376 176.000 0.077 0.000 0.958 460 Q CA 0.525 56.422 55.803 0.158 0.000 0.840 460 Q CB 0.241 29.073 28.738 0.157 0.000 0.918 460 Q HN 0.575 nan 8.270 nan 0.000 0.467 461 Q N -0.702 119.147 119.800 0.083 0.000 2.439 461 Q HA -0.192 4.148 4.340 -0.000 0.000 0.211 461 Q C 1.315 177.366 176.000 0.086 0.000 0.978 461 Q CA 0.963 56.804 55.803 0.063 0.000 0.897 461 Q CB -0.026 28.745 28.738 0.056 0.000 0.956 461 Q HN 0.423 nan 8.270 nan 0.000 0.483 462 Y N 1.379 121.643 120.300 -0.060 0.000 2.177 462 Y HA -0.118 4.432 4.550 -0.000 0.000 0.291 462 Y C 2.275 178.120 175.900 -0.092 0.000 1.117 462 Y CA 1.409 59.461 58.100 -0.080 0.000 1.114 462 Y CB -0.017 38.377 38.460 -0.111 0.000 1.017 462 Y HN -0.169 nan 8.280 nan 0.000 0.505 463 K N 0.301 120.626 120.400 -0.125 0.000 2.026 463 K HA -0.194 4.125 4.320 -0.000 0.000 0.208 463 K C 1.780 178.295 176.600 -0.141 0.000 1.048 463 K CA 2.120 58.284 56.287 -0.205 0.000 0.929 463 K CB -0.174 32.237 32.500 -0.149 0.000 0.713 463 K HN 0.478 nan 8.250 nan 0.000 0.439 464 E N -0.764 119.393 120.200 -0.072 0.000 2.299 464 E HA -0.057 4.293 4.350 -0.000 0.000 0.193 464 E C 1.175 177.744 176.600 -0.051 0.000 0.998 464 E CA 0.650 57.021 56.400 -0.049 0.000 0.851 464 E CB 0.289 29.979 29.700 -0.016 0.000 0.795 464 E HN 0.356 nan 8.360 nan 0.000 0.492 465 A N 1.546 124.334 122.820 -0.054 0.000 2.430 465 A HA 0.129 4.449 4.320 -0.000 0.000 0.243 465 A C 1.098 178.633 177.584 -0.081 0.000 1.254 465 A CA -0.244 51.767 52.037 -0.045 0.000 0.914 465 A CB -0.022 18.971 19.000 -0.012 0.000 0.998 465 A HN 0.191 nan 8.150 nan 0.000 0.515 476 A N 1.453 124.272 122.820 -0.001 0.000 2.535 476 A HA 0.484 4.804 4.320 -0.000 0.000 0.273 476 A C 1.191 178.779 177.584 0.007 0.000 1.267 476 A CA 0.053 52.081 52.037 -0.015 0.000 0.940 476 A CB -0.043 18.938 19.000 -0.031 0.000 1.101 476 A HN 0.657 nan 8.150 nan 0.000 0.521 477 E N -0.822 119.401 120.200 0.038 0.000 3.069 477 E HA 0.074 4.424 4.350 -0.000 0.000 0.418 477 E C 1.054 177.729 176.600 0.125 0.000 0.402 477 E CA 0.010 56.457 56.400 0.079 0.000 2.494 477 E CB -0.414 29.345 29.700 0.098 0.000 2.058 477 E HN 0.228 nan 8.360 nan 0.000 0.487 478 F N 0.566 120.520 119.950 0.007 0.000 2.811 478 F HA 0.159 4.686 4.527 -0.000 0.000 0.301 478 F C 1.516 177.331 175.800 0.025 0.000 1.151 478 F CA -0.082 57.926 58.000 0.013 0.000 1.412 478 F CB 0.219 39.226 39.000 0.011 0.000 1.113 478 F HN 0.199 nan 8.300 nan 0.000 0.579 479 L N -0.674 120.525 121.223 -0.039 0.000 2.121 479 L HA 0.054 4.394 4.340 -0.000 0.000 0.200 479 L C 2.064 178.891 176.870 -0.072 0.000 1.077 479 L CA 1.513 56.299 54.840 -0.090 0.000 0.766 479 L CB -0.974 41.080 42.059 -0.008 0.000 0.931 479 L HN -0.082 nan 8.230 nan 0.000 0.452 480 V N -0.013 119.885 119.914 -0.026 0.000 2.594 480 V HA -0.218 3.902 4.120 -0.000 0.000 0.253 480 V C 2.558 178.685 176.094 0.055 0.000 1.069 480 V CA 1.603 63.912 62.300 0.015 0.000 1.082 480 V CB -0.665 31.124 31.823 -0.056 0.000 0.680 480 V HN 0.403 nan 8.190 nan 0.000 0.469 481 K N 0.857 121.233 120.400 -0.039 0.000 2.283 481 K HA -0.106 4.214 4.320 -0.000 0.000 0.202 481 K C 2.319 178.859 176.600 -0.100 0.000 1.048 481 K CA 1.448 57.696 56.287 -0.064 0.000 0.948 481 K CB -0.246 32.220 32.500 -0.057 0.000 0.742 481 K HN 0.635 nan 8.250 nan 0.000 0.458 482 S N -0.829 114.757 115.700 -0.190 0.000 2.460 482 S HA 0.061 4.531 4.470 -0.000 0.000 0.226 482 S C 1.625 176.193 174.600 -0.052 0.000 1.057 482 S CA -0.098 57.985 58.200 -0.196 0.000 0.948 482 S CB -0.113 62.851 63.200 -0.394 0.000 0.822 482 S HN 0.008 nan 8.310 nan 0.000 0.512 483 K N 1.404 121.816 120.400 0.021 0.000 2.228 483 K HA -0.173 4.147 4.320 -0.000 0.000 0.205 483 K C 2.039 178.561 176.600 -0.131 0.000 1.045 483 K CA 1.647 57.958 56.287 0.040 0.000 0.931 483 K CB -0.786 31.889 32.500 0.292 0.000 0.727 483 K HN 0.720 nan 8.250 nan 0.000 0.458 484 H N 0.633 119.623 119.070 -0.133 0.000 2.403 484 H HA 0.043 4.599 4.556 -0.000 0.000 0.298 484 H C 1.998 177.225 175.328 -0.168 0.000 1.059 484 H CA 1.034 56.922 56.048 -0.267 0.000 1.363 484 H CB 0.161 29.926 29.762 0.005 0.000 1.410 484 H HN 0.068 nan 8.280 nan 0.000 0.528 485 R N 0.382 120.954 120.500 0.120 0.000 2.120 485 R HA -0.110 4.230 4.340 -0.000 0.000 0.234 485 R C 1.365 177.621 176.300 -0.073 0.000 1.123 485 R CA 1.644 57.776 56.100 0.053 0.000 0.975 485 R CB 0.128 30.444 30.300 0.026 0.000 0.866 485 R HN 0.386 nan 8.270 nan 0.000 0.446 486 D N 0.636 120.974 120.400 -0.104 0.000 2.087 486 D HA -0.169 4.471 4.640 -0.000 0.000 0.201 486 D C 1.821 178.022 176.300 -0.166 0.000 0.980 486 D CA 0.733 54.666 54.000 -0.111 0.000 0.849 486 D CB -0.555 40.188 40.800 -0.095 0.000 1.001 486 D HN 0.099 nan 8.370 nan 0.000 0.452 487 L N 1.193 122.262 121.223 -0.256 0.000 2.283 487 L HA -0.209 4.131 4.340 -0.000 0.000 0.217 487 L C 2.061 178.763 176.870 -0.280 0.000 1.104 487 L CA 1.578 56.239 54.840 -0.299 0.000 0.772 487 L CB -0.727 41.036 42.059 -0.493 0.000 0.899 487 L HN -0.003 nan 8.230 nan 0.000 0.439 488 T N -0.681 113.681 114.554 -0.319 0.000 2.588 488 T HA -0.178 4.172 4.350 -0.000 0.000 0.261 488 T C 1.898 176.518 174.700 -0.132 0.000 1.069 488 T CA 1.610 63.556 62.100 -0.257 0.000 1.172 488 T CB -0.630 68.100 68.868 -0.230 0.000 0.863 488 T HN 0.551 nan 8.240 nan 0.000 0.408 489 A N 1.439 124.201 122.820 -0.097 0.000 1.909 489 A HA -0.175 4.145 4.320 -0.000 0.000 0.221 489 A C 2.357 179.919 177.584 -0.036 0.000 1.223 489 A CA 1.890 53.896 52.037 -0.052 0.000 0.658 489 A CB -1.214 17.761 19.000 -0.041 0.000 0.831 489 A HN 0.516 nan 8.150 nan 0.000 0.462 490 L N -1.236 119.959 121.223 -0.047 0.000 2.017 490 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 490 L C 2.800 179.680 176.870 0.016 0.000 1.073 490 L CA 1.612 56.443 54.840 -0.015 0.000 0.745 490 L CB -0.836 41.203 42.059 -0.033 0.000 0.894 490 L HN 0.539 nan 8.230 nan 0.000 0.432 491 C N -0.308 118.971 119.300 -0.035 0.000 2.435 491 C HA -0.133 4.327 4.460 -0.000 0.000 0.279 491 C C 2.879 177.896 174.990 0.045 0.000 1.321 491 C CA 0.563 59.570 59.018 -0.019 0.000 1.752 491 C CB -0.644 27.045 27.740 -0.085 0.000 1.959 491 C HN 0.414 nan 8.230 nan 0.000 0.500 492 K N 1.470 121.874 120.400 0.007 0.000 2.217 492 K HA -0.138 4.182 4.320 -0.000 0.000 0.202 492 K C 2.008 178.624 176.600 0.028 0.000 1.051 492 K CA 1.676 57.971 56.287 0.013 0.000 0.952 492 K CB -0.184 32.308 32.500 -0.014 0.000 0.736 492 K HN 0.758 nan 8.250 nan 0.000 0.453 493 E N -1.121 119.099 120.200 0.034 0.000 2.299 493 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 493 E C 1.544 178.157 176.600 0.022 0.000 0.998 493 E CA 0.334 56.745 56.400 0.017 0.000 0.851 493 E CB -0.457 29.249 29.700 0.010 0.000 0.795 493 E HN 0.320 nan 8.360 nan 0.000 0.492 494 Y N 1.242 121.521 120.300 -0.035 0.000 2.680 494 Y HA -0.071 4.479 4.550 -0.000 0.000 0.303 494 Y C 1.333 177.216 175.900 -0.029 0.000 1.166 494 Y CA 1.316 59.397 58.100 -0.033 0.000 1.344 494 Y CB 0.086 38.524 38.460 -0.037 0.000 1.002 494 Y HN 0.192 nan 8.280 nan 0.000 0.537 495 D N -0.390 120.035 120.400 0.042 0.000 2.202 495 D HA -0.113 4.527 4.640 -0.000 0.000 0.214 495 D C 1.809 178.073 176.300 -0.059 0.000 0.967 495 D CA 1.172 55.180 54.000 0.013 0.000 0.871 495 D CB 0.147 40.964 40.800 0.028 0.000 1.020 495 D HN 0.195 nan 8.370 nan 0.000 0.474 496 E N -0.248 119.915 120.200 -0.061 0.000 2.097 496 E HA -0.136 4.214 4.350 -0.000 0.000 0.196 496 E C 1.998 178.531 176.600 -0.112 0.000 1.000 496 E CA 0.623 56.981 56.400 -0.070 0.000 0.804 496 E CB -0.242 29.424 29.700 -0.056 0.000 0.740 496 E HN 0.238 nan 8.360 nan 0.000 0.454 497 L N 0.246 121.361 121.223 -0.181 0.000 1.961 497 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 497 L C 2.244 178.973 176.870 -0.235 0.000 1.072 497 L CA 2.169 56.865 54.840 -0.240 0.000 0.749 497 L CB -1.270 40.554 42.059 -0.391 0.000 0.889 497 L HN 0.137 nan 8.230 nan 0.000 0.432 498 A N -1.360 121.277 122.820 -0.303 0.000 2.076 498 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 498 A C 2.324 179.854 177.584 -0.090 0.000 1.160 498 A CA 1.845 53.775 52.037 -0.179 0.000 0.653 498 A CB -0.570 18.369 19.000 -0.101 0.000 0.801 498 A HN 0.557 nan 8.150 nan 0.000 0.455 499 E N -1.124 119.026 120.200 -0.084 0.000 2.086 499 E HA -0.083 4.267 4.350 -0.000 0.000 0.190 499 E C 1.855 178.422 176.600 -0.054 0.000 0.975 499 E CA 1.209 57.578 56.400 -0.052 0.000 0.813 499 E CB 0.052 29.728 29.700 -0.041 0.000 0.768 499 E HN 0.519 nan 8.360 nan 0.000 0.457 500 T N 1.005 115.517 114.554 -0.069 0.000 2.812 500 T HA -0.195 4.155 4.350 -0.000 0.000 0.264 500 T C 1.773 176.435 174.700 -0.062 0.000 1.042 500 T CA 1.299 63.362 62.100 -0.062 0.000 1.140 500 T CB -0.234 68.593 68.868 -0.068 0.000 0.870 500 T HN 0.256 nan 8.240 nan 0.000 0.445 501 Q N 0.720 120.474 119.800 -0.077 0.000 2.062 501 Q HA -0.190 4.150 4.340 -0.000 0.000 0.209 501 Q C 2.434 178.405 176.000 -0.049 0.000 0.996 501 Q CA 2.181 57.943 55.803 -0.068 0.000 0.859 501 Q CB -0.732 27.959 28.738 -0.079 0.000 0.920 501 Q HN 0.555 nan 8.270 nan 0.000 0.415 502 G N 1.030 109.805 108.800 -0.043 0.000 2.511 502 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.216 502 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.216 502 G C 1.331 176.213 174.900 -0.031 0.000 1.218 502 G CA 1.104 46.185 45.100 -0.031 0.000 0.788 502 G HN 0.449 nan 8.290 nan 0.000 0.560 503 K N -0.212 120.169 120.400 -0.032 0.000 2.049 503 K HA -0.175 4.145 4.320 -0.000 0.000 0.219 503 K C 2.595 179.175 176.600 -0.033 0.000 1.056 503 K CA 1.811 58.080 56.287 -0.030 0.000 0.946 503 K CB -0.393 32.088 32.500 -0.032 0.000 0.723 503 K HN 0.345 nan 8.250 nan 0.000 0.453 504 L N 0.265 121.463 121.223 -0.040 0.000 1.988 504 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 504 L C 2.619 179.464 176.870 -0.043 0.000 1.071 504 L CA 1.502 56.315 54.840 -0.045 0.000 0.744 504 L CB -0.564 41.464 42.059 -0.052 0.000 0.893 504 L HN 0.325 nan 8.230 nan 0.000 0.433 505 E N 0.600 120.775 120.200 -0.041 0.000 2.284 505 E HA -0.259 4.091 4.350 -0.000 0.000 0.200 505 E C 1.802 178.384 176.600 -0.030 0.000 1.008 505 E CA 1.568 57.947 56.400 -0.036 0.000 0.829 505 E CB 0.006 29.687 29.700 -0.032 0.000 0.744 505 E HN 0.483 nan 8.360 nan 0.000 0.491 506 E N -0.633 119.551 120.200 -0.027 0.000 2.276 506 E HA -0.031 4.319 4.350 -0.000 0.000 0.193 506 E C 1.769 178.356 176.600 -0.021 0.000 0.983 506 E CA 0.218 56.606 56.400 -0.021 0.000 0.861 506 E CB -0.055 29.635 29.700 -0.017 0.000 0.817 506 E HN 0.113 nan 8.360 nan 0.000 0.485 507 K N 1.566 121.949 120.400 -0.028 0.000 2.288 507 K HA -0.099 4.221 4.320 -0.000 0.000 0.201 507 K C 2.008 178.585 176.600 -0.037 0.000 1.048 507 K CA 0.312 56.582 56.287 -0.029 0.000 0.956 507 K CB 0.027 32.506 32.500 -0.035 0.000 0.746 507 K HN 0.093 nan 8.250 nan 0.000 0.461 508 L N 1.340 122.536 121.223 -0.044 0.000 2.549 508 L HA -0.098 4.242 4.340 -0.000 0.000 0.229 508 L C 1.952 178.801 176.870 -0.035 0.000 1.158 508 L CA 1.360 56.168 54.840 -0.054 0.000 0.842 508 L CB -0.107 41.920 42.059 -0.054 0.000 0.952 508 L HN 0.124 nan 8.230 nan 0.000 0.452 509 Q N -0.300 119.488 119.800 -0.020 0.000 2.396 509 Q HA -0.058 4.282 4.340 -0.000 0.000 0.220 509 Q C 1.916 177.922 176.000 0.010 0.000 0.900 509 Q CA 0.946 56.748 55.803 -0.003 0.000 0.925 509 Q CB 0.006 28.742 28.738 -0.003 0.000 1.065 509 Q HN 0.658 nan 8.270 nan 0.000 0.535 510 E N -0.595 119.608 120.200 0.005 0.000 2.515 510 E HA -0.083 4.267 4.350 -0.000 0.000 0.201 510 E C 0.907 177.537 176.600 0.050 0.000 1.071 510 E CA 0.335 56.747 56.400 0.021 0.000 0.880 510 E CB 0.198 29.904 29.700 0.011 0.000 0.828 510 E HN 0.367 nan 8.360 nan 0.000 0.540 511 L N -0.652 120.591 121.223 0.034 0.000 2.488 511 L HA 0.090 4.430 4.340 -0.000 0.000 0.186 511 L C 1.915 178.877 176.870 0.153 0.000 1.124 511 L CA 0.190 55.066 54.840 0.059 0.000 0.838 511 L CB -0.241 41.730 42.059 -0.146 0.000 1.107 511 L HN 0.004 nan 8.230 nan 0.000 0.494 512 E N 0.835 121.073 120.200 0.064 0.000 2.396 512 E HA -0.157 4.193 4.350 -0.000 0.000 0.200 512 E C 1.683 178.331 176.600 0.081 0.000 1.023 512 E CA 0.924 57.372 56.400 0.080 0.000 0.857 512 E CB 0.015 29.734 29.700 0.033 0.000 0.775 512 E HN 0.454 nan 8.360 nan 0.000 0.525 513 A N 0.791 123.654 122.820 0.072 0.000 2.169 513 A HA 0.074 4.394 4.320 -0.000 0.000 0.210 513 A C 0.666 178.280 177.584 0.049 0.000 1.168 513 A CA -0.045 52.022 52.037 0.050 0.000 0.813 513 A CB 0.472 19.491 19.000 0.033 0.000 0.861 513 A HN 0.042 nan 8.150 nan 0.000 0.481 514 N N 1.215 119.960 118.700 0.075 0.000 2.752 514 N HA 0.263 5.003 4.740 -0.000 0.000 0.260 514 N C -3.171 172.320 175.510 -0.032 0.000 1.562 514 N CA -0.736 52.334 53.050 0.033 0.000 0.788 514 N CB 1.145 39.655 38.487 0.038 0.000 1.192 514 N HN 0.125 nan 8.380 nan 0.000 0.503 515 P HA 0.220 nan 4.420 nan 0.000 0.272 515 P C -2.179 174.947 177.300 -0.289 0.000 1.240 515 P CA -0.590 62.361 63.100 -0.248 0.000 0.791 515 P CB 0.254 31.916 31.700 -0.062 0.000 0.978 516 P HA 0.133 nan 4.420 nan 0.000 0.281 516 P C -0.496 176.749 177.300 -0.092 0.000 1.281 516 P CA -0.465 62.517 63.100 -0.196 0.000 0.811 516 P CB 0.664 32.251 31.700 -0.187 0.000 1.154 517 S N 0.449 116.124 115.700 -0.042 0.000 2.563 517 S HA -0.039 4.431 4.470 -0.000 0.000 0.294 517 S C 1.227 175.830 174.600 0.004 0.000 1.279 517 S CA -0.076 58.116 58.200 -0.012 0.000 1.069 517 S CB -0.500 62.705 63.200 0.009 0.000 0.828 517 S HN 0.536 nan 8.310 nan 0.000 0.497 518 D N 3.545 123.948 120.400 0.006 0.000 2.348 518 D HA 0.043 4.683 4.640 -0.000 0.000 0.211 518 D C 0.178 176.497 176.300 0.032 0.000 0.998 518 D CA 0.242 54.252 54.000 0.017 0.000 0.873 518 D CB 0.132 40.940 40.800 0.012 0.000 0.925 518 D HN 0.280 nan 8.370 nan 0.000 0.524 519 V N 0.721 120.660 119.914 0.040 0.000 2.969 519 V HA 0.037 4.157 4.120 -0.000 0.000 0.304 519 V C -0.149 176.002 176.094 0.094 0.000 1.192 519 V CA -1.036 61.304 62.300 0.066 0.000 0.962 519 V CB 2.114 33.962 31.823 0.041 0.000 1.045 519 V HN -0.059 nan 8.190 nan 0.000 0.428 520 Y N 4.883 125.192 120.300 0.016 0.000 2.070 520 Y HA 0.111 4.661 4.550 -0.000 0.000 0.280 520 Y C 0.424 176.337 175.900 0.023 0.000 1.148 520 Y CA 1.835 59.949 58.100 0.023 0.000 1.125 520 Y CB 0.235 38.712 38.460 0.029 0.000 0.975 520 Y HN 0.440 nan 8.280 nan 0.000 0.492 521 L N 0.318 121.477 121.223 -0.107 0.000 2.422 521 L HA 0.321 4.661 4.340 -0.000 0.000 0.264 521 L C -0.087 176.759 176.870 -0.041 0.000 0.984 521 L CA -0.993 53.742 54.840 -0.175 0.000 0.819 521 L CB 2.009 43.969 42.059 -0.164 0.000 1.330 521 L HN 0.048 nan 8.230 nan 0.000 0.410 522 S N -0.204 115.466 115.700 -0.050 0.000 2.593 522 S HA 0.077 4.547 4.470 -0.000 0.000 0.269 522 S C 1.265 175.865 174.600 0.001 0.000 1.334 522 S CA -0.042 58.147 58.200 -0.018 0.000 1.015 522 S CB 1.488 64.672 63.200 -0.026 0.000 0.912 522 S HN 0.784 nan 8.310 nan 0.000 0.541 523 S N 1.803 117.510 115.700 0.013 0.000 2.387 523 S HA -0.254 4.216 4.470 -0.000 0.000 0.230 523 S C 1.839 176.452 174.600 0.020 0.000 1.035 523 S CA 1.220 59.435 58.200 0.024 0.000 1.014 523 S CB -0.615 62.599 63.200 0.024 0.000 0.836 523 S HN 0.811 nan 8.310 nan 0.000 0.466 524 R N 1.102 121.606 120.500 0.006 0.000 2.075 524 R HA -0.045 4.295 4.340 -0.000 0.000 0.232 524 R C 1.844 178.140 176.300 -0.005 0.000 1.126 524 R CA 1.688 57.788 56.100 -0.001 0.000 0.963 524 R CB -0.411 29.882 30.300 -0.012 0.000 0.858 524 R HN 0.434 nan 8.270 nan 0.000 0.435 525 D N -0.435 119.955 120.400 -0.017 0.000 2.087 525 D HA -0.194 4.446 4.640 -0.000 0.000 0.192 525 D C 1.843 178.142 176.300 -0.001 0.000 0.993 525 D CA 1.393 55.375 54.000 -0.030 0.000 0.828 525 D CB -0.106 40.651 40.800 -0.071 0.000 0.968 525 D HN 0.007 nan 8.370 nan 0.000 0.448 526 R N 0.900 121.413 120.500 0.022 0.000 2.113 526 R HA -0.210 4.130 4.340 -0.000 0.000 0.244 526 R C 2.078 178.427 176.300 0.082 0.000 1.142 526 R CA 1.774 57.917 56.100 0.071 0.000 0.953 526 R CB -0.590 29.770 30.300 0.100 0.000 0.860 526 R HN 0.244 nan 8.270 nan 0.000 0.438 527 Q N -0.469 119.371 119.800 0.067 0.000 2.096 527 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 527 Q C 2.136 178.189 176.000 0.088 0.000 0.982 527 Q CA 2.158 58.005 55.803 0.073 0.000 0.850 527 Q CB -0.147 28.619 28.738 0.046 0.000 0.901 527 Q HN 0.464 nan 8.270 nan 0.000 0.422 528 I N 0.008 120.615 120.570 0.062 0.000 2.353 528 I HA -0.246 3.923 4.170 -0.000 0.000 0.248 528 I C 2.200 178.414 176.117 0.162 0.000 1.119 528 I CA 0.639 61.986 61.300 0.077 0.000 1.417 528 I CB -0.190 37.819 38.000 0.015 0.000 1.078 528 I HN 0.303 nan 8.210 nan 0.000 0.421 529 L N 0.585 121.857 121.223 0.081 0.000 2.056 529 L HA -0.234 4.106 4.340 -0.000 0.000 0.207 529 L C 2.115 178.882 176.870 -0.170 0.000 1.078 529 L CA 1.839 56.662 54.840 -0.029 0.000 0.749 529 L CB -0.548 41.459 42.059 -0.087 0.000 0.901 529 L HN 0.281 nan 8.230 nan 0.000 0.433 530 D N -0.660 119.752 120.400 0.020 0.000 2.158 530 D HA -0.279 4.361 4.640 -0.000 0.000 0.197 530 D C 1.698 178.047 176.300 0.082 0.000 0.995 530 D CA 1.352 55.449 54.000 0.160 0.000 0.846 530 D CB -0.272 40.646 40.800 0.196 0.000 0.941 530 D HN 0.529 nan 8.370 nan 0.000 0.456 531 W N 1.278 122.541 121.300 -0.062 0.000 2.342 531 W HA -0.208 4.452 4.660 -0.000 0.000 0.297 531 W C 2.371 178.779 176.519 -0.186 0.000 1.213 531 W CA 1.478 58.773 57.345 -0.084 0.000 1.251 531 W CB -0.307 29.075 29.460 -0.130 0.000 1.136 531 W HN 0.126 nan 8.180 nan 0.000 0.526 532 H N -1.136 117.893 119.070 -0.067 0.000 2.389 532 H HA -0.119 4.437 4.556 -0.000 0.000 0.299 532 H C 2.129 177.191 175.328 -0.443 0.000 1.081 532 H CA 2.024 57.799 56.048 -0.454 0.000 1.345 532 H CB -0.909 28.390 29.762 -0.772 0.000 1.393 532 H HN 0.279 nan 8.280 nan 0.000 0.520 533 F N 0.681 120.626 119.950 -0.008 0.000 2.084 533 F HA -0.153 4.374 4.527 -0.000 0.000 0.296 533 F C 2.935 178.605 175.800 -0.216 0.000 1.111 533 F CA 0.430 58.438 58.000 0.014 0.000 1.224 533 F CB -0.216 38.803 39.000 0.031 0.000 0.991 533 F HN 0.109 nan 8.300 nan 0.000 0.471 534 A N 0.375 123.084 122.820 -0.186 0.000 1.948 534 A HA -0.327 3.993 4.320 -0.000 0.000 0.220 534 A C 1.782 178.897 177.584 -0.780 0.000 1.177 534 A CA 2.343 54.029 52.037 -0.585 0.000 0.636 534 A CB -1.120 17.372 19.000 -0.848 0.000 0.815 534 A HN 0.459 nan 8.150 nan 0.000 0.449 535 N N -0.872 117.407 118.700 -0.703 0.000 2.381 535 N HA -0.097 4.643 4.740 -0.000 0.000 0.182 535 N C 1.383 176.894 175.510 0.002 0.000 1.025 535 N CA 1.169 54.011 53.050 -0.347 0.000 0.888 535 N CB -0.245 37.890 38.487 -0.586 0.000 0.965 535 N HN 0.356 nan 8.380 nan 0.000 0.438 536 L N 0.891 122.109 121.223 -0.008 0.000 2.127 536 L HA 0.124 4.464 4.340 -0.000 0.000 0.203 536 L C 1.728 178.598 176.870 0.000 0.000 1.080 536 L CA 1.490 56.393 54.840 0.105 0.000 0.768 536 L CB -0.649 41.523 42.059 0.188 0.000 0.924 536 L HN 0.171 nan 8.230 nan 0.000 0.444 537 E N -0.855 119.288 120.200 -0.094 0.000 2.118 537 E HA -0.288 4.062 4.350 -0.000 0.000 0.195 537 E C 2.097 178.634 176.600 -0.106 0.000 0.992 537 E CA 1.531 57.839 56.400 -0.154 0.000 0.804 537 E CB -0.498 29.075 29.700 -0.212 0.000 0.741 537 E HN 0.525 nan 8.360 nan 0.000 0.458 538 F N 2.135 121.969 119.950 -0.194 0.000 2.134 538 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 538 F C 2.242 178.108 175.800 0.109 0.000 1.097 538 F CA 1.297 59.275 58.000 -0.037 0.000 1.264 538 F CB -0.467 38.611 39.000 0.131 0.000 1.001 538 F HN -0.063 nan 8.300 nan 0.000 0.479 539 A N 1.012 123.705 122.820 -0.213 0.000 1.835 539 A HA -0.213 4.107 4.320 -0.000 0.000 0.215 539 A C 2.011 179.573 177.584 -0.037 0.000 1.199 539 A CA 1.783 53.697 52.037 -0.205 0.000 0.615 539 A CB -1.184 17.874 19.000 0.098 0.000 0.838 539 A HN 0.552 nan 8.150 nan 0.000 0.444 540 N N 0.074 118.800 118.700 0.044 0.000 2.571 540 N HA 0.088 4.828 4.740 -0.000 0.000 0.189 540 N C 0.824 176.340 175.510 0.011 0.000 1.154 540 N CA 0.917 54.033 53.050 0.110 0.000 0.907 540 N CB -0.235 38.285 38.487 0.056 0.000 0.977 540 N HN 0.678 nan 8.380 nan 0.000 0.449 541 A N 0.420 123.169 122.820 -0.118 0.000 2.748 541 A HA -0.189 4.131 4.320 -0.000 0.000 0.297 541 A C 0.483 177.887 177.584 -0.300 0.000 1.508 541 A CA 1.652 53.513 52.037 -0.292 0.000 0.799 541 A CB -2.027 16.535 19.000 -0.731 0.000 1.011 541 A HN 0.395 nan 8.150 nan 0.000 0.500 542 T N -2.220 112.135 114.554 -0.332 0.000 2.886 542 T HA 0.566 4.916 4.350 -0.000 0.000 0.330 542 T C -3.341 171.150 174.700 -0.347 0.000 1.488 542 T CA -0.799 61.042 62.100 -0.433 0.000 1.054 542 T CB 1.509 69.744 68.868 -1.055 0.000 1.348 542 T HN -0.000 nan 8.240 nan 0.000 0.489 543 P HA 0.153 nan 4.420 nan 0.000 0.267 543 P C 0.698 177.835 177.300 -0.271 0.000 1.200 543 P CA -0.358 62.606 63.100 -0.226 0.000 0.772 543 P CB 0.395 31.995 31.700 -0.167 0.000 0.855 544 L N 2.371 123.435 121.223 -0.266 0.000 2.349 544 L HA -0.141 4.199 4.340 -0.000 0.000 0.220 544 L C 2.276 178.980 176.870 -0.277 0.000 1.130 544 L CA 1.685 56.338 54.840 -0.312 0.000 0.791 544 L CB -1.643 40.212 42.059 -0.340 0.000 0.918 544 L HN 0.368 nan 8.230 nan 0.000 0.444 545 S N -1.429 114.139 115.700 -0.221 0.000 2.383 545 S HA -0.158 4.312 4.470 -0.000 0.000 0.227 545 S C 1.924 176.444 174.600 -0.134 0.000 1.026 545 S CA 1.703 59.804 58.200 -0.166 0.000 0.981 545 S CB -0.056 63.066 63.200 -0.130 0.000 0.818 545 S HN 0.526 nan 8.310 nan 0.000 0.472 546 T N 2.228 116.692 114.554 -0.150 0.000 2.962 546 T HA 0.126 4.476 4.350 -0.000 0.000 0.270 546 T C 0.629 175.300 174.700 -0.048 0.000 1.088 546 T CA 0.392 62.436 62.100 -0.094 0.000 1.127 546 T CB -0.215 68.548 68.868 -0.176 0.000 0.883 546 T HN 0.263 nan 8.240 nan 0.000 0.493 547 L N 1.958 123.096 121.223 -0.142 0.000 2.439 547 L HA 0.182 4.522 4.340 -0.000 0.000 0.269 547 L C 0.838 177.731 176.870 0.039 0.000 1.179 547 L CA -0.487 54.326 54.840 -0.045 0.000 0.828 547 L CB 0.527 42.454 42.059 -0.221 0.000 1.106 547 L HN 0.068 nan 8.230 nan 0.000 0.467 548 S N 2.996 118.809 115.700 0.188 0.000 2.430 548 S HA 0.056 4.525 4.470 -0.000 0.000 0.282 548 S C 0.993 175.719 174.600 0.210 0.000 1.186 548 S CA -0.774 57.538 58.200 0.187 0.000 1.060 548 S CB 0.429 63.793 63.200 0.274 0.000 0.966 548 S HN 0.568 nan 8.310 nan 0.000 0.501 549 L N 5.501 126.779 121.223 0.092 0.000 2.089 549 L HA -0.117 4.223 4.340 -0.000 0.000 0.213 549 L C 2.258 179.227 176.870 0.165 0.000 1.079 549 L CA 2.126 57.034 54.840 0.114 0.000 0.758 549 L CB -0.549 41.514 42.059 0.008 0.000 0.891 549 L HN 0.822 nan 8.230 nan 0.000 0.433 550 K N -2.316 118.078 120.400 -0.009 0.000 2.137 550 K HA -0.066 4.254 4.320 -0.000 0.000 0.202 550 K C 1.350 177.803 176.600 -0.246 0.000 1.052 550 K CA 1.017 57.188 56.287 -0.193 0.000 0.961 550 K CB 0.024 32.262 32.500 -0.436 0.000 0.741 550 K HN 0.549 nan 8.250 nan 0.000 0.452 551 H N -1.214 117.990 119.070 0.224 0.000 2.755 551 H HA -0.001 4.555 4.556 -0.000 0.000 0.273 551 H C 1.249 176.661 175.328 0.140 0.000 1.055 551 H CA 0.006 56.146 56.048 0.153 0.000 1.191 551 H CB 0.027 29.878 29.762 0.149 0.000 1.536 551 H HN 0.436 nan 8.280 nan 0.000 0.529 552 W N 1.834 123.246 121.300 0.187 0.000 2.538 552 W HA -0.061 4.599 4.660 -0.000 0.000 0.254 552 W C -0.237 176.362 176.519 0.132 0.000 1.249 552 W CA 0.415 57.858 57.345 0.164 0.000 1.253 552 W CB -0.398 29.134 29.460 0.120 0.000 1.130 552 W HN -0.034 nan 8.180 nan 0.000 0.618 553 D N 0.784 120.738 120.400 -0.744 0.000 2.262 553 D HA -0.150 4.490 4.640 -0.000 0.000 0.212 553 D C 2.317 178.441 176.300 -0.292 0.000 0.964 553 D CA 2.051 55.599 54.000 -0.753 0.000 0.875 553 D CB -0.550 39.796 40.800 -0.757 0.000 0.996 553 D HN 0.249 nan 8.370 nan 0.000 0.497 554 Q N 1.880 121.599 119.800 -0.134 0.000 2.308 554 Q HA -0.296 4.044 4.340 -0.000 0.000 0.219 554 Q C 0.904 176.901 176.000 -0.006 0.000 1.036 554 Q CA 2.538 58.327 55.803 -0.023 0.000 0.973 554 Q CB -0.927 27.849 28.738 0.063 0.000 1.034 554 Q HN 0.416 nan 8.270 nan 0.000 0.422 555 D N -1.176 119.191 120.400 -0.055 0.000 2.348 555 D HA -0.054 4.586 4.640 -0.000 0.000 0.211 555 D C 0.668 177.024 176.300 0.094 0.000 0.998 555 D CA 0.734 54.732 54.000 -0.004 0.000 0.873 555 D CB -0.302 40.392 40.800 -0.176 0.000 0.925 555 D HN 0.376 nan 8.370 nan 0.000 0.524 556 D N 1.676 122.050 120.400 -0.043 0.000 2.203 556 D HA -0.176 4.464 4.640 -0.000 0.000 0.199 556 D C 0.737 176.963 176.300 -0.124 0.000 0.997 556 D CA 1.384 55.336 54.000 -0.081 0.000 0.863 556 D CB -0.197 40.520 40.800 -0.138 0.000 0.928 556 D HN 0.290 nan 8.370 nan 0.000 0.458 557 D N -1.220 119.029 120.400 -0.252 0.000 2.403 557 D HA -0.113 4.527 4.640 -0.000 0.000 0.227 557 D C 0.491 176.266 176.300 -0.875 0.000 0.995 557 D CA 0.554 54.203 54.000 -0.586 0.000 0.928 557 D CB -0.194 40.131 40.800 -0.792 0.000 0.887 557 D HN 0.393 nan 8.370 nan 0.000 0.529 558 F N 0.237 120.098 119.950 -0.149 0.000 2.781 558 F HA 0.244 4.771 4.527 -0.000 0.000 0.322 558 F C 0.582 176.298 175.800 -0.139 0.000 1.108 558 F CA -0.763 57.149 58.000 -0.147 0.000 1.179 558 F CB -0.217 38.545 39.000 -0.398 0.000 1.072 558 F HN -0.248 nan 8.300 nan 0.000 0.545 559 E N 1.617 121.806 120.200 -0.018 0.000 2.442 559 E HA 0.047 4.397 4.350 -0.000 0.000 0.262 559 E C -0.211 176.408 176.600 0.031 0.000 1.004 559 E CA 0.146 56.490 56.400 -0.094 0.000 0.928 559 E CB 0.588 30.288 29.700 -0.000 0.000 0.937 559 E HN 0.201 nan 8.360 nan 0.000 0.446 560 F N 0.620 120.653 119.950 0.137 0.000 2.435 560 F HA 0.104 4.631 4.527 -0.000 0.000 0.316 560 F C 1.500 177.391 175.800 0.152 0.000 1.220 560 F CA -0.640 57.422 58.000 0.102 0.000 1.241 560 F CB 0.566 39.566 39.000 0.000 0.000 1.234 560 F HN 0.341 nan 8.300 nan 0.000 0.569 561 T N -0.821 113.974 114.554 0.402 0.000 2.895 561 T HA 0.745 5.095 4.350 -0.000 0.000 0.283 561 T C -0.231 174.616 174.700 0.245 0.000 1.014 561 T CA -0.198 62.081 62.100 0.300 0.000 1.037 561 T CB 1.437 70.490 68.868 0.308 0.000 1.006 561 T HN 1.291 nan 8.240 nan 0.000 0.468 562 G N 1.427 110.340 108.800 0.189 0.000 2.539 562 G HA2 0.285 4.245 3.960 -0.000 0.000 0.686 562 G HA3 0.285 4.245 3.960 -0.000 0.000 0.686 562 G C -0.339 174.671 174.900 0.183 0.000 1.258 562 G CA -0.510 44.683 45.100 0.155 0.000 0.846 562 G HN 1.680 nan 8.290 nan 0.000 0.647 563 S N 0.443 116.228 115.700 0.142 0.000 2.603 563 S HA 0.586 5.056 4.470 -0.000 0.000 0.268 563 S C 0.332 175.102 174.600 0.282 0.000 1.317 563 S CA -0.567 57.718 58.200 0.141 0.000 1.012 563 S CB 0.873 64.119 63.200 0.076 0.000 0.926 563 S HN 0.849 nan 8.310 nan 0.000 0.539 564 H N 0.892 120.031 119.070 0.115 0.000 2.815 564 H HA 0.495 5.051 4.556 -0.000 0.000 0.350 564 H C -0.012 175.380 175.328 0.106 0.000 1.080 564 H CA -0.577 55.545 56.048 0.125 0.000 1.433 564 H CB -0.011 29.848 29.762 0.161 0.000 1.432 564 H HN 0.496 nan 8.280 nan 0.000 0.592 565 L N 1.282 122.621 121.223 0.193 0.000 2.301 565 L HA 0.496 4.836 4.340 -0.000 0.000 0.264 565 L C 0.311 177.219 176.870 0.065 0.000 1.016 565 L CA -0.889 54.017 54.840 0.110 0.000 0.821 565 L CB 2.102 44.193 42.059 0.054 0.000 1.346 565 L HN 0.451 nan 8.230 nan 0.000 0.429 566 T N 0.495 115.069 114.554 0.034 0.000 2.888 566 T HA 0.469 4.819 4.350 -0.000 0.000 0.284 566 T C -0.361 174.307 174.700 -0.054 0.000 1.017 566 T CA -0.427 61.661 62.100 -0.020 0.000 1.022 566 T CB 2.215 71.063 68.868 -0.033 0.000 1.013 566 T HN 0.199 nan 8.240 nan 0.000 0.465 567 V N 4.226 124.090 119.914 -0.083 0.000 2.461 567 V HA 0.258 4.378 4.120 -0.000 0.000 0.275 567 V C 1.505 177.644 176.094 0.075 0.000 1.047 567 V CA -0.377 61.877 62.300 -0.076 0.000 0.955 567 V CB 1.174 32.868 31.823 -0.214 0.000 0.988 567 V HN 0.756 nan 8.190 nan 0.000 0.471 568 R N 3.384 123.935 120.500 0.084 0.000 2.161 568 R HA 0.003 4.343 4.340 -0.000 0.000 0.213 568 R C 1.272 177.702 176.300 0.217 0.000 1.055 568 R CA 0.898 57.105 56.100 0.177 0.000 0.996 568 R CB 0.053 30.420 30.300 0.111 0.000 0.901 568 R HN 0.904 nan 8.270 nan 0.000 0.456 569 N N -0.374 118.402 118.700 0.127 0.000 2.235 569 N HA 0.055 4.795 4.740 -0.000 0.000 0.209 569 N C 0.025 175.585 175.510 0.085 0.000 1.122 569 N CA 0.581 53.688 53.050 0.095 0.000 0.845 569 N CB 0.766 39.289 38.487 0.061 0.000 1.004 569 N HN 0.120 nan 8.380 nan 0.000 0.499 570 G N 0.404 109.275 108.800 0.118 0.000 3.209 570 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.686 570 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.686 570 G C -0.398 174.606 174.900 0.173 0.000 1.065 570 G CA -0.462 44.715 45.100 0.128 0.000 0.812 570 G HN 0.066 nan 8.290 nan 0.000 0.573 571 Y N 2.254 122.606 120.300 0.086 0.000 2.403 571 Y HA -0.116 4.433 4.550 -0.000 0.000 0.291 571 Y C 3.024 178.961 175.900 0.062 0.000 1.143 571 Y CA 2.151 60.295 58.100 0.072 0.000 1.257 571 Y CB -0.222 38.281 38.460 0.072 0.000 0.984 571 Y HN 1.006 nan 8.280 nan 0.000 0.550 572 S N -2.069 113.780 115.700 0.248 0.000 2.493 572 S HA -0.233 4.237 4.470 -0.000 0.000 0.243 572 S C 2.180 176.856 174.600 0.127 0.000 0.991 572 S CA 1.065 59.352 58.200 0.146 0.000 0.957 572 S CB -1.495 61.767 63.200 0.103 0.000 0.756 572 S HN 0.488 nan 8.310 nan 0.000 0.521 573 C N 1.161 120.550 119.300 0.148 0.000 2.393 573 C HA -0.078 4.382 4.460 -0.000 0.000 0.276 573 C C 2.730 177.784 174.990 0.106 0.000 1.215 573 C CA 0.802 59.883 59.018 0.105 0.000 1.743 573 C CB -1.599 26.197 27.740 0.093 0.000 2.044 573 C HN 0.559 nan 8.230 nan 0.000 0.464 574 V N 2.888 122.901 119.914 0.165 0.000 2.219 574 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 574 V C 0.263 176.405 176.094 0.081 0.000 1.053 574 V CA 2.911 65.298 62.300 0.145 0.000 1.009 574 V CB -2.158 29.809 31.823 0.241 0.000 0.636 574 V HN 0.446 nan 8.190 nan 0.000 0.445 575 P HA -0.114 nan 4.420 nan 0.000 0.215 575 P C 1.896 179.206 177.300 0.017 0.000 1.157 575 P CA 1.721 64.834 63.100 0.022 0.000 0.868 575 P CB -0.149 31.554 31.700 0.006 0.000 0.788 576 V N 1.224 121.153 119.914 0.025 0.000 2.255 576 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 576 V C 2.968 179.066 176.094 0.007 0.000 1.051 576 V CA 2.473 64.781 62.300 0.013 0.000 1.018 576 V CB -1.848 29.986 31.823 0.019 0.000 0.641 576 V HN 0.124 nan 8.190 nan 0.000 0.445 577 A N -0.256 122.574 122.820 0.017 0.000 1.873 577 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 577 A C 2.206 179.787 177.584 -0.005 0.000 1.193 577 A CA 2.195 54.237 52.037 0.009 0.000 0.629 577 A CB -0.729 18.285 19.000 0.023 0.000 0.826 577 A HN 0.513 nan 8.150 nan 0.000 0.447 578 L N -1.104 120.121 121.223 0.003 0.000 2.353 578 L HA -0.142 4.198 4.340 -0.000 0.000 0.220 578 L C 2.639 179.490 176.870 -0.032 0.000 1.133 578 L CA 0.747 55.580 54.840 -0.012 0.000 0.798 578 L CB -0.242 41.820 42.059 0.005 0.000 0.922 578 L HN 0.467 nan 8.230 nan 0.000 0.445 579 A N 0.017 122.821 122.820 -0.027 0.000 2.275 579 A HA -0.045 4.275 4.320 -0.000 0.000 0.212 579 A C 1.790 179.351 177.584 -0.039 0.000 1.201 579 A CA 0.358 52.373 52.037 -0.036 0.000 0.843 579 A CB -0.275 18.706 19.000 -0.031 0.000 0.873 579 A HN 0.522 nan 8.150 nan 0.000 0.492 580 E N -0.704 119.474 120.200 -0.037 0.000 2.516 580 E HA 0.041 4.391 4.350 -0.000 0.000 0.206 580 E C 0.965 177.538 176.600 -0.045 0.000 1.107 580 E CA 1.279 57.656 56.400 -0.037 0.000 0.903 580 E CB -0.440 29.239 29.700 -0.036 0.000 0.838 580 E HN 0.343 nan 8.360 nan 0.000 0.574 581 G N -0.337 108.432 108.800 -0.053 0.000 3.531 581 G HA2 0.243 4.203 3.960 -0.000 0.000 0.212 581 G HA3 0.243 4.203 3.960 -0.000 0.000 0.212 581 G C -0.164 174.705 174.900 -0.051 0.000 1.146 581 G CA -0.384 44.684 45.100 -0.054 0.000 0.916 581 G HN 0.088 nan 8.290 nan 0.000 0.637 582 L N 1.455 122.646 121.223 -0.053 0.000 2.365 582 L HA 0.519 4.859 4.340 -0.000 0.000 0.267 582 L C -0.423 176.422 176.870 -0.043 0.000 1.033 582 L CA -1.176 53.633 54.840 -0.052 0.000 0.802 582 L CB 1.155 43.175 42.059 -0.065 0.000 1.267 582 L HN 0.096 nan 8.230 nan 0.000 0.457 583 D N 1.308 121.684 120.400 -0.039 0.000 2.428 583 D HA 0.245 4.885 4.640 -0.000 0.000 0.221 583 D C -0.586 175.687 176.300 -0.046 0.000 1.123 583 D CA -0.087 53.895 54.000 -0.030 0.000 0.869 583 D CB 0.700 41.493 40.800 -0.012 0.000 1.032 583 D HN 0.369 nan 8.370 nan 0.000 0.506 584 I N 2.036 122.577 120.570 -0.048 0.000 2.304 584 I HA 0.091 4.261 4.170 -0.000 0.000 0.291 584 I C 0.585 176.666 176.117 -0.061 0.000 1.018 584 I CA -0.874 60.386 61.300 -0.067 0.000 1.260 584 I CB 1.099 39.059 38.000 -0.066 0.000 1.390 584 I HN 0.059 nan 8.210 nan 0.000 0.475 585 K N 6.362 126.711 120.400 -0.084 0.000 2.127 585 K HA 0.254 4.574 4.320 -0.000 0.000 0.261 585 K C -0.203 176.337 176.600 -0.100 0.000 1.129 585 K CA -0.314 55.936 56.287 -0.062 0.000 0.993 585 K CB -0.194 32.256 32.500 -0.083 0.000 1.410 585 K HN 0.379 nan 8.250 nan 0.000 0.380 586 L N 2.209 123.385 121.223 -0.078 0.000 2.348 586 L HA -0.004 4.336 4.340 -0.000 0.000 0.200 586 L C 0.914 177.706 176.870 -0.129 0.000 1.154 586 L CA 0.860 55.637 54.840 -0.105 0.000 0.856 586 L CB 0.003 42.020 42.059 -0.070 0.000 1.297 586 L HN 0.818 nan 8.230 nan 0.000 0.550 587 N N -1.288 117.328 118.700 -0.140 0.000 2.469 587 N HA -0.230 4.510 4.740 -0.000 0.000 0.238 587 N C 0.041 175.437 175.510 -0.191 0.000 1.291 587 N CA 1.256 54.220 53.050 -0.144 0.000 0.782 587 N CB -1.339 37.105 38.487 -0.071 0.000 1.213 587 N HN 0.785 nan 8.380 nan 0.000 0.585 588 T N -2.386 112.023 114.554 -0.242 0.000 2.794 588 T HA 0.672 5.022 4.350 -0.000 0.000 0.280 588 T C -0.150 174.381 174.700 -0.281 0.000 0.987 588 T CA -0.566 61.355 62.100 -0.298 0.000 0.993 588 T CB 2.242 70.897 68.868 -0.356 0.000 0.939 588 T HN 0.232 nan 8.240 nan 0.000 0.449 589 A N 4.283 126.972 122.820 -0.219 0.000 2.256 589 A HA 0.624 4.944 4.320 -0.000 0.000 0.317 589 A C 0.194 177.734 177.584 -0.073 0.000 1.318 589 A CA -0.782 51.161 52.037 -0.156 0.000 0.894 589 A CB 0.543 19.559 19.000 0.027 0.000 1.165 589 A HN 0.889 nan 8.150 nan 0.000 0.525 590 V N 4.269 124.136 119.914 -0.079 0.000 2.485 590 V HA 0.057 4.177 4.120 -0.000 0.000 0.287 590 V C 1.201 177.282 176.094 -0.021 0.000 1.022 590 V CA 0.796 63.066 62.300 -0.050 0.000 1.067 590 V CB 0.303 32.084 31.823 -0.070 0.000 0.967 590 V HN 0.987 nan 8.190 nan 0.000 0.479 591 R N 3.235 123.721 120.500 -0.023 0.000 2.476 591 R HA 0.301 4.641 4.340 -0.000 0.000 0.276 591 R C 0.268 176.526 176.300 -0.071 0.000 0.941 591 R CA -0.041 56.045 56.100 -0.023 0.000 1.088 591 R CB 0.857 31.162 30.300 0.008 0.000 1.216 591 R HN 0.741 nan 8.270 nan 0.000 0.533 592 Q N 0.479 120.218 119.800 -0.101 0.000 2.352 592 Q HA 0.319 4.659 4.340 -0.000 0.000 0.270 592 Q C -1.964 173.938 176.000 -0.164 0.000 1.006 592 Q CA -0.481 55.237 55.803 -0.143 0.000 0.880 592 Q CB 2.898 31.595 28.738 -0.069 0.000 1.392 592 Q HN -0.077 nan 8.270 nan 0.000 0.401 593 V N 4.076 123.838 119.914 -0.253 0.000 2.447 593 V HA 0.534 4.654 4.120 -0.000 0.000 0.292 593 V C -0.736 175.368 176.094 0.018 0.000 1.021 593 V CA -0.589 61.620 62.300 -0.151 0.000 0.850 593 V CB 1.700 33.328 31.823 -0.326 0.000 1.005 593 V HN 0.665 nan 8.190 nan 0.000 0.426 594 R N 4.474 125.012 120.500 0.063 0.000 2.460 594 R HA 0.688 5.028 4.340 -0.000 0.000 0.303 594 R C -1.462 174.938 176.300 0.166 0.000 0.968 594 R CA -0.678 55.445 56.100 0.038 0.000 0.889 594 R CB 1.917 32.216 30.300 -0.000 0.000 1.123 594 R HN 0.801 nan 8.270 nan 0.000 0.455 595 Y N -1.656 118.670 120.300 0.043 0.000 2.307 595 Y HA 0.382 4.932 4.550 -0.000 0.000 0.323 595 Y C -0.789 175.137 175.900 0.043 0.000 1.100 595 Y CA -1.087 57.042 58.100 0.049 0.000 1.140 595 Y CB 1.004 39.496 38.460 0.054 0.000 1.159 595 Y HN 0.330 nan 8.280 nan 0.000 0.436 596 T N 1.266 115.890 114.554 0.117 0.000 2.862 596 T HA 0.492 4.842 4.350 -0.000 0.000 0.276 596 T C 1.416 176.184 174.700 0.112 0.000 0.974 596 T CA -0.071 62.068 62.100 0.065 0.000 0.966 596 T CB 1.590 70.486 68.868 0.046 0.000 1.072 596 T HN 0.882 nan 8.240 nan 0.000 0.538 597 A N 0.922 123.788 122.820 0.076 0.000 2.024 597 A HA -0.047 4.273 4.320 -0.000 0.000 0.220 597 A C 1.965 179.590 177.584 0.069 0.000 1.164 597 A CA 1.770 53.852 52.037 0.075 0.000 0.643 597 A CB -0.904 18.124 19.000 0.047 0.000 0.806 597 A HN 0.810 nan 8.150 nan 0.000 0.451 598 S N -1.038 114.700 115.700 0.064 0.000 3.651 598 S HA 0.543 5.013 4.470 -0.000 0.000 0.201 598 S C 1.259 175.916 174.600 0.095 0.000 1.028 598 S CA 0.023 58.258 58.200 0.058 0.000 1.564 598 S CB -1.018 62.206 63.200 0.041 0.000 0.787 598 S HN 0.807 nan 8.310 nan 0.000 0.627 599 G N 0.161 109.016 108.800 0.091 0.000 2.661 599 G HA2 0.406 4.366 3.960 -0.000 0.000 0.272 599 G HA3 0.406 4.366 3.960 -0.000 0.000 0.272 599 G C -0.048 174.932 174.900 0.134 0.000 1.296 599 G CA 0.096 45.267 45.100 0.118 0.000 0.998 599 G HN 1.424 nan 8.290 nan 0.000 0.553 600 C N -1.777 117.607 119.300 0.140 0.000 2.880 600 C HA 0.745 5.205 4.460 -0.000 0.000 0.320 600 C C -0.631 174.430 174.990 0.119 0.000 1.176 600 C CA -1.350 57.758 59.018 0.151 0.000 1.390 600 C CB 1.165 29.028 27.740 0.205 0.000 1.846 600 C HN 0.779 nan 8.230 nan 0.000 0.478 601 E N 0.641 120.901 120.200 0.100 0.000 2.195 601 E HA 0.673 5.023 4.350 -0.000 0.000 0.271 601 E C -1.191 175.460 176.600 0.085 0.000 0.923 601 E CA -0.665 55.786 56.400 0.085 0.000 0.790 601 E CB 2.292 32.024 29.700 0.053 0.000 1.155 601 E HN 0.532 nan 8.360 nan 0.000 0.402 602 V N 3.955 123.939 119.914 0.117 0.000 2.407 602 V HA 0.335 4.455 4.120 -0.000 0.000 0.291 602 V C -0.685 175.503 176.094 0.157 0.000 1.018 602 V CA -0.725 61.643 62.300 0.112 0.000 0.842 602 V CB 0.970 32.866 31.823 0.120 0.000 0.996 602 V HN 0.518 nan 8.190 nan 0.000 0.426 603 I N 4.446 125.067 120.570 0.085 0.000 2.354 603 I HA 0.795 4.965 4.170 -0.000 0.000 0.292 603 I C 0.423 176.588 176.117 0.080 0.000 0.989 603 I CA 0.057 61.412 61.300 0.092 0.000 1.188 603 I CB 1.682 39.708 38.000 0.044 0.000 1.342 603 I HN 0.709 nan 8.210 nan 0.000 0.457 604 A N 5.480 128.371 122.820 0.119 0.000 2.423 604 A HA 0.947 5.267 4.320 -0.000 0.000 0.304 604 A C -0.965 176.581 177.584 -0.062 0.000 1.104 604 A CA -0.640 51.409 52.037 0.020 0.000 0.757 604 A CB 1.533 20.538 19.000 0.007 0.000 1.313 604 A HN 0.385 nan 8.150 nan 0.000 0.423 605 V N 1.520 121.360 119.914 -0.122 0.000 2.881 605 V HA 0.455 4.575 4.120 -0.000 0.000 0.316 605 V C 0.167 176.091 176.094 -0.284 0.000 1.070 605 V CA -0.911 61.306 62.300 -0.139 0.000 0.976 605 V CB 1.889 33.696 31.823 -0.026 0.000 1.038 605 V HN 0.973 nan 8.190 nan 0.000 0.446 606 N N 0.727 119.265 118.700 -0.270 0.000 2.530 606 N HA 0.493 5.233 4.740 -0.000 0.000 0.283 606 N C -0.017 175.457 175.510 -0.061 0.000 1.238 606 N CA 0.027 52.931 53.050 -0.242 0.000 0.971 606 N CB 2.485 40.865 38.487 -0.179 0.000 1.195 606 N HN 0.704 nan 8.380 nan 0.000 0.583 607 T N -0.023 114.518 114.554 -0.022 0.000 3.602 607 T HA 0.143 4.493 4.350 -0.000 0.000 0.287 607 T C 0.637 175.358 174.700 0.035 0.000 0.967 607 T CA -0.099 62.017 62.100 0.028 0.000 1.111 607 T CB 0.462 69.370 68.868 0.066 0.000 1.156 607 T HN 0.399 nan 8.240 nan 0.000 0.470 608 R N 3.094 123.610 120.500 0.027 0.000 3.534 608 R HA 0.472 4.812 4.340 -0.000 0.000 0.312 608 R C -1.199 175.119 176.300 0.030 0.000 1.419 608 R CA -0.058 56.059 56.100 0.030 0.000 1.262 608 R CB -0.292 30.024 30.300 0.028 0.000 1.437 608 R HN 0.396 nan 8.270 nan 0.000 0.627 609 S N -1.980 113.745 115.700 0.041 0.000 2.602 609 S HA 0.041 4.511 4.470 -0.000 0.000 0.301 609 S C -0.489 174.160 174.600 0.082 0.000 1.091 609 S CA -1.033 57.202 58.200 0.057 0.000 0.895 609 S CB 0.921 64.159 63.200 0.064 0.000 1.090 609 S HN 0.085 nan 8.310 nan 0.000 0.449 610 T N 3.202 117.799 114.554 0.072 0.000 2.572 610 T HA 0.073 4.423 4.350 -0.000 0.000 0.207 610 T C 0.646 175.412 174.700 0.109 0.000 1.019 610 T CA 1.321 63.465 62.100 0.074 0.000 3.827 610 T CB -1.255 67.642 68.868 0.048 0.000 0.640 610 T HN 0.652 nan 8.240 nan 0.000 0.228 611 S N 0.767 116.556 115.700 0.149 0.000 4.569 611 S HA 0.367 4.837 4.470 -0.000 0.000 0.161 611 S C 0.346 175.071 174.600 0.207 0.000 1.104 611 S CA -0.543 57.793 58.200 0.226 0.000 1.153 611 S CB 0.352 63.829 63.200 0.462 0.000 2.018 611 S HN 0.446 nan 8.310 nan 0.000 0.800 612 Q N 0.675 120.626 119.800 0.251 0.000 2.412 612 Q HA -0.076 4.264 4.340 -0.000 0.000 0.247 612 Q C -1.551 174.553 176.000 0.174 0.000 0.708 612 Q CA 0.921 56.814 55.803 0.150 0.000 1.273 612 Q CB -1.656 27.137 28.738 0.091 0.000 1.099 612 Q HN 0.594 nan 8.270 nan 0.000 0.846 613 T N -0.475 114.286 114.554 0.344 0.000 4.013 613 T HA 0.439 4.789 4.350 -0.000 0.000 0.431 613 T C -1.029 174.056 174.700 0.642 0.000 1.108 613 T CA -0.414 61.892 62.100 0.344 0.000 1.053 613 T CB 0.129 69.090 68.868 0.154 0.000 1.295 613 T HN 0.190 nan 8.240 nan 0.000 0.437 614 F N 2.041 121.974 119.950 -0.028 0.000 2.629 614 F HA 0.779 5.306 4.527 0.000 0.000 0.316 614 F C -0.253 175.454 175.800 -0.154 0.000 1.081 614 F CA -1.577 56.351 58.000 -0.120 0.000 0.954 614 F CB 2.029 40.969 39.000 -0.099 0.000 1.337 614 F HN 0.289 nan 8.300 nan 0.000 0.474 615 I N 1.965 122.451 120.570 -0.140 0.000 2.500 615 I HA 0.231 4.401 4.170 -0.000 0.000 0.286 615 I C -1.602 174.332 176.117 -0.305 0.000 1.063 615 I CA -0.600 60.625 61.300 -0.126 0.000 1.062 615 I CB 1.954 39.918 38.000 -0.060 0.000 1.223 615 I HN 0.477 nan 8.210 nan 0.000 0.435 616 Y N 6.484 126.822 120.300 0.062 0.000 2.353 616 Y HA 0.295 4.845 4.550 -0.000 0.000 0.340 616 Y C 0.396 176.318 175.900 0.037 0.000 0.972 616 Y CA -0.926 57.203 58.100 0.048 0.000 1.157 616 Y CB 0.992 39.477 38.460 0.042 0.000 1.157 616 Y HN 0.358 nan 8.280 nan 0.000 0.495 617 K N 3.614 124.093 120.400 0.132 0.000 2.143 617 K HA 0.759 5.079 4.320 -0.000 0.000 0.272 617 K C -0.381 176.291 176.600 0.121 0.000 1.001 617 K CA -0.436 55.911 56.287 0.100 0.000 0.915 617 K CB 1.039 33.572 32.500 0.056 0.000 1.047 617 K HN 0.804 nan 8.250 nan 0.000 0.458 618 C N -0.831 118.538 119.300 0.115 0.000 3.231 618 C HA 0.369 4.829 4.460 -0.000 0.000 0.343 618 C C 0.537 175.610 174.990 0.139 0.000 1.349 618 C CA -0.788 58.299 59.018 0.114 0.000 1.209 618 C CB 0.909 28.707 27.740 0.097 0.000 1.475 618 C HN 0.849 nan 8.230 nan 0.000 0.460 619 D N 1.060 121.562 120.400 0.170 0.000 2.103 619 D HA 0.241 4.880 4.640 -0.000 0.000 0.199 619 D C 0.856 177.348 176.300 0.320 0.000 0.978 619 D CA 2.239 56.419 54.000 0.299 0.000 0.829 619 D CB 0.268 41.362 40.800 0.491 0.000 0.981 619 D HN 1.041 nan 8.370 nan 0.000 0.464 620 A N 0.206 123.108 122.820 0.137 0.000 2.498 620 A HA 0.559 4.879 4.320 -0.000 0.000 0.298 620 A C -1.031 176.571 177.584 0.030 0.000 1.075 620 A CA -0.521 51.572 52.037 0.093 0.000 0.714 620 A CB 2.262 21.183 19.000 -0.132 0.000 1.299 620 A HN -0.079 nan 8.150 nan 0.000 0.407 621 V N 1.797 121.747 119.914 0.060 0.000 2.448 621 V HA 0.445 4.565 4.120 -0.000 0.000 0.295 621 V C -0.862 175.222 176.094 -0.017 0.000 1.025 621 V CA -0.374 61.923 62.300 -0.004 0.000 0.859 621 V CB 1.333 33.145 31.823 -0.018 0.000 0.988 621 V HN 0.771 nan 8.190 nan 0.000 0.431 622 L N 6.211 127.401 121.223 -0.055 0.000 2.264 622 L HA 0.534 4.874 4.340 -0.000 0.000 0.287 622 L C -0.143 176.695 176.870 -0.054 0.000 1.039 622 L CA 0.139 54.943 54.840 -0.061 0.000 0.829 622 L CB 0.805 42.808 42.059 -0.093 0.000 1.211 622 L HN 0.819 nan 8.230 nan 0.000 0.427 623 C N 3.823 123.078 119.300 -0.076 0.000 2.373 623 C HA 0.427 4.887 4.460 -0.000 0.000 0.354 623 C C 1.311 176.393 174.990 0.154 0.000 1.249 623 C CA -0.173 58.880 59.018 0.059 0.000 1.784 623 C CB -0.307 27.517 27.740 0.139 0.000 2.408 623 C HN 0.971 nan 8.230 nan 0.000 0.542 624 T N 6.356 120.985 114.554 0.126 0.000 3.129 624 T HA 0.198 4.548 4.350 -0.000 0.000 0.267 624 T C 0.511 175.326 174.700 0.192 0.000 1.018 624 T CA -0.145 62.035 62.100 0.134 0.000 0.903 624 T CB -0.226 68.675 68.868 0.056 0.000 1.067 624 T HN 0.624 nan 8.240 nan 0.000 0.549 625 L N 4.316 125.667 121.223 0.214 0.000 2.559 625 L HA 0.156 4.496 4.340 -0.000 0.000 0.274 625 L C -1.763 175.191 176.870 0.141 0.000 1.205 625 L CA -1.476 53.468 54.840 0.174 0.000 0.907 625 L CB 0.081 42.250 42.059 0.183 0.000 1.153 625 L HN -0.021 nan 8.230 nan 0.000 0.490 626 P HA -0.097 nan 4.420 nan 0.000 0.268 626 P C 0.790 177.708 177.300 -0.638 0.000 1.205 626 P CA -0.334 62.661 63.100 -0.176 0.000 0.771 626 P CB 1.054 32.757 31.700 0.005 0.000 0.858 627 L N 3.203 123.733 121.223 -1.155 0.000 2.137 627 L HA -0.169 4.171 4.340 -0.000 0.000 0.213 627 L C 2.128 178.339 176.870 -1.099 0.000 1.085 627 L CA 2.813 56.980 54.840 -1.122 0.000 0.760 627 L CB -1.609 39.955 42.059 -0.825 0.000 0.893 627 L HN 0.548 nan 8.230 nan 0.000 0.434 628 G N -1.413 106.301 108.800 -1.809 0.000 2.443 628 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.219 628 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.219 628 G C 1.603 176.236 174.900 -0.446 0.000 1.131 628 G CA 0.786 45.204 45.100 -1.136 0.000 0.775 628 G HN 0.355 nan 8.290 nan 0.000 0.547 629 V N 0.823 120.524 119.914 -0.355 0.000 2.535 629 V HA 0.041 4.161 4.120 -0.000 0.000 0.246 629 V C 2.702 178.732 176.094 -0.107 0.000 1.045 629 V CA 0.833 63.053 62.300 -0.133 0.000 1.058 629 V CB -0.214 31.600 31.823 -0.015 0.000 0.689 629 V HN 0.323 nan 8.190 nan 0.000 0.461 630 L N -0.469 120.652 121.223 -0.169 0.000 2.456 630 L HA -0.086 4.254 4.340 -0.000 0.000 0.224 630 L C 2.266 179.047 176.870 -0.148 0.000 1.148 630 L CA 1.280 56.050 54.840 -0.117 0.000 0.825 630 L CB -0.497 41.455 42.059 -0.179 0.000 0.937 630 L HN 0.304 nan 8.230 nan 0.000 0.450 631 K N -0.307 119.977 120.400 -0.194 0.000 2.352 631 K HA 0.027 4.347 4.320 -0.000 0.000 0.194 631 K C 0.674 177.213 176.600 -0.102 0.000 1.038 631 K CA -0.148 56.044 56.287 -0.160 0.000 1.023 631 K CB 0.322 32.706 32.500 -0.194 0.000 0.840 631 K HN 0.208 nan 8.250 nan 0.000 0.519 632 Q N 1.680 121.426 119.800 -0.089 0.000 2.320 632 Q HA -0.163 4.177 4.340 -0.000 0.000 0.311 632 Q C 0.999 176.975 176.000 -0.040 0.000 1.083 632 Q CA 0.043 55.813 55.803 -0.056 0.000 1.001 632 Q CB 0.694 29.406 28.738 -0.043 0.000 1.074 632 Q HN 0.081 nan 8.270 nan 0.000 0.379 633 Q N 4.796 124.574 119.800 -0.036 0.000 1.975 633 Q HA -0.140 4.200 4.340 -0.000 0.000 0.205 633 Q C -0.870 175.118 176.000 -0.019 0.000 0.990 633 Q CA 2.167 57.952 55.803 -0.029 0.000 0.845 633 Q CB -1.213 27.509 28.738 -0.026 0.000 0.913 633 Q HN 0.609 nan 8.270 nan 0.000 0.420 634 P HA -0.226 nan 4.420 nan 0.000 0.224 634 P C -1.682 175.617 177.300 -0.001 0.000 1.031 634 P CA 2.797 65.889 63.100 -0.012 0.000 1.031 634 P CB -1.239 30.451 31.700 -0.017 0.000 0.742 635 P HA 0.251 nan 4.420 nan 0.000 0.346 635 P C 0.278 177.588 177.300 0.016 0.000 1.306 635 P CA 0.128 63.237 63.100 0.015 0.000 0.778 635 P CB 0.597 32.323 31.700 0.043 0.000 1.710 636 A N -0.598 122.241 122.820 0.031 0.000 1.920 636 A HA 0.291 4.611 4.320 -0.000 0.000 0.209 636 A C 1.074 178.685 177.584 0.044 0.000 1.229 636 A CA 1.139 53.196 52.037 0.033 0.000 0.671 636 A CB -0.791 18.235 19.000 0.043 0.000 0.886 636 A HN 0.405 nan 8.150 nan 0.000 0.461 637 V N -1.434 118.517 119.914 0.062 0.000 2.680 637 V HA 0.662 4.782 4.120 -0.000 0.000 0.309 637 V C -0.839 175.249 176.094 -0.010 0.000 1.052 637 V CA -0.804 61.489 62.300 -0.012 0.000 0.908 637 V CB 1.389 33.178 31.823 -0.058 0.000 1.001 637 V HN 0.513 nan 8.190 nan 0.000 0.431 638 Q N 2.759 122.472 119.800 -0.144 0.000 2.306 638 Q HA 0.639 4.979 4.340 -0.000 0.000 0.265 638 Q C -2.017 173.806 176.000 -0.294 0.000 1.022 638 Q CA -0.736 55.036 55.803 -0.051 0.000 0.853 638 Q CB 2.086 30.825 28.738 0.000 0.000 1.327 638 Q HN 0.777 nan 8.270 nan 0.000 0.449 639 F N 3.254 123.246 119.950 0.069 0.000 2.347 639 F HA 0.261 4.788 4.527 -0.000 0.000 0.366 639 F C 0.974 176.788 175.800 0.025 0.000 1.107 639 F CA -0.789 57.288 58.000 0.128 0.000 1.058 639 F CB 0.900 40.038 39.000 0.231 0.000 1.236 639 F HN 0.433 nan 8.300 nan 0.000 0.456 640 V N 3.539 123.465 119.914 0.020 0.000 2.265 640 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 640 V C -1.593 174.408 176.094 -0.156 0.000 1.024 640 V CA 1.445 63.682 62.300 -0.105 0.000 1.038 640 V CB -1.195 30.515 31.823 -0.188 0.000 0.675 640 V HN 0.507 nan 8.190 nan 0.000 0.485 641 P HA 0.170 nan 4.420 nan 0.000 0.266 641 P C -2.555 174.737 177.300 -0.014 0.000 1.215 641 P CA -0.972 61.972 63.100 -0.260 0.000 0.763 641 P CB 0.090 31.529 31.700 -0.435 0.000 0.806 642 P HA -0.013 nan 4.420 nan 0.000 0.267 642 P C -0.180 177.152 177.300 0.052 0.000 1.201 642 P CA 0.221 63.366 63.100 0.075 0.000 0.775 642 P CB 0.380 32.089 31.700 0.016 0.000 0.854 643 L N 4.409 125.607 121.223 -0.043 0.000 2.513 643 L HA 0.110 4.450 4.340 -0.000 0.000 0.272 643 L C -1.626 175.065 176.870 -0.298 0.000 1.187 643 L CA -1.486 53.223 54.840 -0.218 0.000 0.895 643 L CB -0.656 41.137 42.059 -0.443 0.000 1.147 643 L HN 0.329 nan 8.230 nan 0.000 0.483 644 P HA -0.174 nan 4.420 nan 0.000 0.275 644 P C 0.542 177.542 177.300 -0.500 0.000 1.227 644 P CA 0.095 62.904 63.100 -0.484 0.000 0.808 644 P CB 0.540 31.701 31.700 -0.898 0.000 0.858 645 E N 1.237 121.257 120.200 -0.300 0.000 2.001 645 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 645 E C 1.949 178.442 176.600 -0.178 0.000 1.002 645 E CA 1.821 58.127 56.400 -0.158 0.000 0.819 645 E CB -1.056 28.641 29.700 -0.006 0.000 0.769 645 E HN 0.605 nan 8.360 nan 0.000 0.454 646 W N 1.487 122.756 121.300 -0.051 0.000 2.290 646 W HA -0.295 4.365 4.660 -0.000 0.000 0.318 646 W C 1.863 178.325 176.519 -0.095 0.000 1.248 646 W CA 1.400 58.707 57.345 -0.063 0.000 1.263 646 W CB -1.326 28.102 29.460 -0.053 0.000 1.147 646 W HN 0.072 nan 8.180 nan 0.000 0.494 647 K N 1.523 121.470 120.400 -0.754 0.000 1.965 647 K HA -0.217 4.103 4.320 -0.000 0.000 0.220 647 K C 2.552 178.921 176.600 -0.385 0.000 1.046 647 K CA 3.670 59.532 56.287 -0.709 0.000 0.974 647 K CB -1.189 30.602 32.500 -1.182 0.000 0.738 647 K HN 0.241 nan 8.250 nan 0.000 0.444 648 T N -1.156 113.153 114.554 -0.409 0.000 2.721 648 T HA -0.245 4.105 4.350 -0.000 0.000 0.268 648 T C 2.039 176.626 174.700 -0.188 0.000 1.038 648 T CA 2.161 64.091 62.100 -0.282 0.000 1.145 648 T CB -1.053 67.669 68.868 -0.244 0.000 0.858 648 T HN 0.380 nan 8.240 nan 0.000 0.459 649 S N 2.299 117.913 115.700 -0.144 0.000 2.399 649 S HA 0.111 4.581 4.470 -0.000 0.000 0.231 649 S C 2.420 176.973 174.600 -0.079 0.000 1.022 649 S CA 0.849 58.998 58.200 -0.084 0.000 0.983 649 S CB -0.861 62.315 63.200 -0.039 0.000 0.803 649 S HN 0.813 nan 8.310 nan 0.000 0.480 650 A N 1.510 124.281 122.820 -0.081 0.000 1.872 650 A HA 0.160 4.480 4.320 -0.000 0.000 0.214 650 A C 2.417 179.914 177.584 -0.145 0.000 1.187 650 A CA 1.347 53.333 52.037 -0.085 0.000 0.614 650 A CB -1.132 17.841 19.000 -0.045 0.000 0.826 650 A HN 0.439 nan 8.150 nan 0.000 0.442 651 V N 1.332 121.136 119.914 -0.184 0.000 2.380 651 V HA -0.357 3.763 4.120 -0.000 0.000 0.251 651 V C 2.762 178.748 176.094 -0.180 0.000 1.063 651 V CA 2.457 64.629 62.300 -0.212 0.000 1.055 651 V CB -1.028 30.645 31.823 -0.249 0.000 0.657 651 V HN 0.933 nan 8.190 nan 0.000 0.455 652 Q N 1.213 120.926 119.800 -0.145 0.000 2.389 652 Q HA -0.122 4.218 4.340 -0.000 0.000 0.204 652 Q C 2.020 177.962 176.000 -0.097 0.000 0.944 652 Q CA 1.003 56.736 55.803 -0.116 0.000 0.908 652 Q CB -0.329 28.354 28.738 -0.093 0.000 1.002 652 Q HN 0.760 nan 8.270 nan 0.000 0.493 653 R N -0.219 120.224 120.500 -0.096 0.000 2.317 653 R HA 0.285 4.625 4.340 -0.000 0.000 0.208 653 R C 0.425 176.668 176.300 -0.095 0.000 0.914 653 R CA -0.123 55.934 56.100 -0.072 0.000 1.060 653 R CB 0.028 30.300 30.300 -0.048 0.000 1.015 653 R HN 0.152 nan 8.270 nan 0.000 0.498 654 M N 0.768 120.276 119.600 -0.155 0.000 2.114 654 M HA 0.330 4.810 4.480 -0.000 0.000 0.280 654 M C 0.407 176.551 176.300 -0.260 0.000 1.209 654 M CA -0.308 54.859 55.300 -0.221 0.000 1.044 654 M CB 1.140 33.556 32.600 -0.308 0.000 1.404 654 M HN 0.184 nan 8.290 nan 0.000 0.499 655 G N 0.418 108.952 108.800 -0.444 0.000 2.513 655 G HA2 0.664 4.624 3.960 -0.000 0.000 0.317 655 G HA3 0.664 4.624 3.960 -0.000 0.000 0.317 655 G C -2.142 172.257 174.900 -0.835 0.000 1.277 655 G CA -0.261 44.290 45.100 -0.916 0.000 0.955 655 G HN 0.466 nan 8.290 nan 0.000 0.484 656 F N 2.197 121.775 119.950 -0.619 0.000 2.477 656 F HA 0.688 5.215 4.527 -0.000 0.000 0.335 656 F C 0.551 176.372 175.800 0.035 0.000 1.130 656 F CA -0.682 57.168 58.000 -0.250 0.000 0.948 656 F CB 1.852 40.756 39.000 -0.160 0.000 1.154 656 F HN 0.675 nan 8.300 nan 0.000 0.439 657 G N 3.788 112.494 108.800 -0.156 0.000 2.583 657 G HA2 0.374 4.334 3.960 -0.000 0.000 0.280 657 G HA3 0.374 4.334 3.960 -0.000 0.000 0.280 657 G C -1.484 173.200 174.900 -0.359 0.000 1.376 657 G CA -0.793 44.271 45.100 -0.061 0.000 1.043 657 G HN 0.704 nan 8.290 nan 0.000 0.538 658 N N -2.076 116.461 118.700 -0.271 0.000 2.610 658 N HA 0.580 5.320 4.740 -0.000 0.000 0.264 658 N C -2.006 173.394 175.510 -0.184 0.000 1.348 658 N CA -0.650 52.275 53.050 -0.209 0.000 0.819 658 N CB 2.595 41.049 38.487 -0.055 0.000 1.521 658 N HN 0.757 nan 8.380 nan 0.000 0.497 659 L N 0.109 121.283 121.223 -0.081 0.000 3.481 659 L HA 0.460 4.800 4.340 -0.000 0.000 0.267 659 L C -2.268 174.688 176.870 0.143 0.000 0.972 659 L CA -0.531 54.321 54.840 0.020 0.000 1.150 659 L CB 0.606 42.647 42.059 -0.029 0.000 1.902 659 L HN 0.604 nan 8.230 nan 0.000 0.561 660 N N 2.435 121.253 118.700 0.197 0.000 2.531 660 N HA 0.818 5.558 4.740 -0.000 0.000 0.290 660 N C -1.409 174.217 175.510 0.193 0.000 1.257 660 N CA -1.095 52.110 53.050 0.257 0.000 0.863 660 N CB 1.714 40.310 38.487 0.183 0.000 1.320 660 N HN 0.625 nan 8.380 nan 0.000 0.538 661 K N -0.035 120.465 120.400 0.167 0.000 2.395 661 K HA 0.666 4.986 4.320 -0.000 0.000 0.247 661 K C -1.524 175.089 176.600 0.021 0.000 0.973 661 K CA -0.859 55.480 56.287 0.087 0.000 0.828 661 K CB 2.517 35.077 32.500 0.100 0.000 1.272 661 K HN 0.085 nan 8.250 nan 0.000 0.439 662 V N 2.286 122.185 119.914 -0.025 0.000 2.357 662 V HA 0.191 4.311 4.120 -0.000 0.000 0.281 662 V C -0.607 175.453 176.094 -0.056 0.000 1.015 662 V CA -0.942 61.329 62.300 -0.048 0.000 0.827 662 V CB 1.408 33.202 31.823 -0.048 0.000 1.018 662 V HN 0.468 nan 8.190 nan 0.000 0.432 663 V N 6.713 126.567 119.914 -0.101 0.000 2.461 663 V HA 0.400 4.520 4.120 -0.000 0.000 0.275 663 V C -0.003 176.007 176.094 -0.141 0.000 1.047 663 V CA -0.241 61.984 62.300 -0.125 0.000 0.955 663 V CB 1.298 32.977 31.823 -0.240 0.000 0.988 663 V HN 0.647 nan 8.190 nan 0.000 0.471 664 L N 4.856 126.026 121.223 -0.089 0.000 2.353 664 L HA 0.426 4.766 4.340 -0.000 0.000 0.270 664 L C -0.612 176.099 176.870 -0.265 0.000 1.003 664 L CA -0.221 54.514 54.840 -0.176 0.000 0.862 664 L CB 1.329 43.428 42.059 0.067 0.000 1.221 664 L HN 0.584 nan 8.230 nan 0.000 0.430 665 C N 2.872 121.925 119.300 -0.411 0.000 2.394 665 C HA 0.531 4.991 4.460 -0.000 0.000 0.362 665 C C 0.460 175.221 174.990 -0.382 0.000 1.268 665 C CA -0.421 58.292 59.018 -0.508 0.000 1.828 665 C CB -0.765 26.534 27.740 -0.734 0.000 2.442 665 C HN 0.510 nan 8.230 nan 0.000 0.549 666 F N 0.905 120.895 119.950 0.066 0.000 2.656 666 F HA 0.331 4.858 4.527 -0.000 0.000 0.394 666 F C 1.451 177.396 175.800 0.242 0.000 1.168 666 F CA -0.406 57.725 58.000 0.217 0.000 1.135 666 F CB 0.584 39.794 39.000 0.351 0.000 1.480 666 F HN 0.364 nan 8.300 nan 0.000 0.500 667 D N -0.693 119.992 120.400 0.475 0.000 2.327 667 D HA 0.098 4.738 4.640 -0.000 0.000 0.205 667 D C -0.065 176.353 176.300 0.196 0.000 0.989 667 D CA 0.728 54.899 54.000 0.284 0.000 0.873 667 D CB 0.452 41.382 40.800 0.216 0.000 0.955 667 D HN 0.346 nan 8.370 nan 0.000 0.515 668 R N -1.596 119.004 120.500 0.167 0.000 3.139 668 R HA 0.102 4.442 4.340 -0.000 0.000 0.287 668 R C -1.684 174.420 176.300 -0.327 0.000 0.978 668 R CA -0.621 55.461 56.100 -0.029 0.000 0.837 668 R CB -0.228 30.043 30.300 -0.048 0.000 1.330 668 R HN -0.239 nan 8.270 nan 0.000 0.527 669 V N 3.011 122.540 119.914 -0.641 0.000 2.479 669 V HA 0.168 4.288 4.120 -0.000 0.000 0.281 669 V C 0.884 176.333 176.094 -1.076 0.000 1.031 669 V CA 0.343 61.757 62.300 -1.477 0.000 1.038 669 V CB -0.435 30.636 31.823 -1.253 0.000 0.981 669 V HN 0.663 nan 8.190 nan 0.000 0.478 670 F N 3.062 122.316 119.950 -1.159 0.000 2.706 670 F HA 0.473 5.000 4.527 -0.000 0.000 0.313 670 F C 0.176 175.488 175.800 -0.813 0.000 1.096 670 F CA -1.439 56.130 58.000 -0.718 0.000 1.219 670 F CB -0.416 38.251 39.000 -0.556 0.000 1.051 670 F HN 0.460 nan 8.300 nan 0.000 0.568 671 W N 0.113 120.788 121.300 -1.041 0.000 2.703 671 W HA 0.543 5.203 4.660 -0.000 0.000 0.359 671 W C -0.457 175.860 176.519 -0.337 0.000 1.168 671 W CA -1.583 55.182 57.345 -0.967 0.000 1.177 671 W CB -0.026 28.869 29.460 -0.941 0.000 1.434 671 W HN -0.194 nan 8.180 nan 0.000 0.618 672 D N 1.551 122.053 120.400 0.170 0.000 2.358 672 D HA 0.113 4.753 4.640 -0.000 0.000 0.258 672 D C -1.496 174.933 176.300 0.216 0.000 1.223 672 D CA -1.395 52.687 54.000 0.135 0.000 0.886 672 D CB 1.607 42.505 40.800 0.164 0.000 1.120 672 D HN 0.052 nan 8.370 nan 0.000 0.482 673 P HA -0.086 nan 4.420 nan 0.000 0.221 673 P C 1.090 178.465 177.300 0.125 0.000 1.150 673 P CA 0.768 63.933 63.100 0.108 0.000 0.800 673 P CB 0.199 31.896 31.700 -0.005 0.000 0.787 674 S N -1.873 113.882 115.700 0.093 0.000 2.603 674 S HA 0.081 4.551 4.470 -0.000 0.000 0.220 674 S C 0.621 175.274 174.600 0.087 0.000 0.967 674 S CA -0.279 57.966 58.200 0.076 0.000 0.920 674 S CB -0.789 62.441 63.200 0.049 0.000 0.773 674 S HN -0.015 nan 8.310 nan 0.000 0.529 675 V N 2.223 122.213 119.914 0.127 0.000 2.398 675 V HA 0.426 4.546 4.120 -0.000 0.000 0.286 675 V C 0.243 176.409 176.094 0.120 0.000 1.026 675 V CA -0.824 61.550 62.300 0.123 0.000 0.868 675 V CB 1.362 33.284 31.823 0.166 0.000 0.982 675 V HN 0.260 nan 8.190 nan 0.000 0.443 676 N N 4.494 123.225 118.700 0.053 0.000 2.376 676 N HA 0.129 4.869 4.740 -0.000 0.000 0.177 676 N C -0.340 175.085 175.510 -0.142 0.000 1.024 676 N CA 0.974 54.031 53.050 0.011 0.000 0.893 676 N CB 0.125 38.626 38.487 0.023 0.000 0.980 676 N HN 0.677 nan 8.380 nan 0.000 0.439 677 L N -2.018 119.098 121.223 -0.178 0.000 2.653 677 L HA 0.546 4.886 4.340 -0.000 0.000 0.257 677 L C -1.243 175.561 176.870 -0.111 0.000 0.969 677 L CA -1.334 53.278 54.840 -0.381 0.000 0.869 677 L CB 1.251 42.809 42.059 -0.836 0.000 1.439 677 L HN -0.104 nan 8.230 nan 0.000 0.414 678 F N -1.488 118.374 119.950 -0.148 0.000 2.608 678 F HA 0.971 5.498 4.527 -0.000 0.000 0.309 678 F C -0.016 175.791 175.800 0.012 0.000 1.103 678 F CA -0.891 57.084 58.000 -0.042 0.000 0.954 678 F CB 1.518 40.569 39.000 0.086 0.000 1.267 678 F HN 0.729 nan 8.300 nan 0.000 0.444 679 G N 0.352 109.227 108.800 0.125 0.000 2.434 679 G HA2 0.491 4.451 3.960 -0.000 0.000 0.330 679 G HA3 0.491 4.451 3.960 -0.000 0.000 0.330 679 G C -2.191 172.901 174.900 0.320 0.000 1.155 679 G CA -0.820 44.356 45.100 0.127 0.000 0.917 679 G HN 1.113 nan 8.290 nan 0.000 0.493 680 H N 0.529 119.814 119.070 0.358 0.000 2.587 680 H HA 0.507 5.063 4.556 -0.000 0.000 0.325 680 H C -0.313 175.246 175.328 0.386 0.000 1.012 680 H CA -0.676 55.588 56.048 0.360 0.000 1.213 680 H CB 1.126 31.162 29.762 0.457 0.000 1.431 680 H HN 0.276 nan 8.280 nan 0.000 0.492 681 V N 5.043 124.850 119.914 -0.180 0.000 2.655 681 V HA 0.244 4.364 4.120 -0.000 0.000 0.300 681 V C 1.500 177.355 176.094 -0.397 0.000 1.044 681 V CA 0.628 62.861 62.300 -0.111 0.000 1.095 681 V CB 0.985 32.764 31.823 -0.073 0.000 0.952 681 V HN 1.016 nan 8.190 nan 0.000 0.485 682 G N 3.140 111.889 108.800 -0.085 0.000 2.616 682 G HA2 0.349 4.309 3.960 -0.000 0.000 0.268 682 G HA3 0.349 4.309 3.960 -0.000 0.000 0.268 682 G C 0.874 175.781 174.900 0.012 0.000 1.213 682 G CA 0.118 45.194 45.100 -0.039 0.000 0.926 682 G HN 0.718 nan 8.290 nan 0.000 0.523 683 S N -0.976 114.766 115.700 0.071 0.000 2.371 683 S HA 0.090 4.560 4.470 -0.000 0.000 0.219 683 S C 1.027 175.665 174.600 0.064 0.000 1.040 683 S CA 0.868 59.113 58.200 0.075 0.000 0.958 683 S CB 0.041 63.300 63.200 0.098 0.000 0.860 683 S HN 0.675 nan 8.310 nan 0.000 0.487 684 T N 1.181 115.774 114.554 0.065 0.000 2.924 684 T HA 0.355 4.705 4.350 -0.000 0.000 0.291 684 T C 0.958 175.692 174.700 0.057 0.000 1.045 684 T CA -0.589 61.545 62.100 0.056 0.000 1.015 684 T CB 1.645 70.541 68.868 0.047 0.000 1.103 684 T HN 0.008 nan 8.240 nan 0.000 0.496 685 T N 1.811 116.401 114.554 0.059 0.000 2.665 685 T HA -0.041 4.309 4.350 -0.000 0.000 0.268 685 T C 1.127 175.847 174.700 0.033 0.000 1.035 685 T CA 1.484 63.623 62.100 0.065 0.000 1.151 685 T CB -0.340 68.566 68.868 0.063 0.000 0.862 685 T HN 0.823 nan 8.240 nan 0.000 0.438 686 A N 1.446 124.278 122.820 0.020 0.000 2.366 686 A HA 0.519 4.839 4.320 -0.000 0.000 0.272 686 A C 0.906 178.500 177.584 0.017 0.000 1.135 686 A CA 0.083 52.122 52.037 0.004 0.000 0.804 686 A CB -0.144 18.857 19.000 0.001 0.000 1.064 686 A HN 1.081 nan 8.150 nan 0.000 0.499 687 S N 0.561 116.267 115.700 0.009 0.000 3.909 687 S HA -0.216 4.254 4.470 -0.000 0.000 0.326 687 S C 0.390 175.017 174.600 0.045 0.000 1.083 687 S CA 1.226 59.444 58.200 0.029 0.000 0.939 687 S CB -2.398 60.831 63.200 0.049 0.000 0.886 687 S HN 1.392 nan 8.310 nan 0.000 0.496 688 R N 0.137 120.643 120.500 0.010 0.000 2.290 688 R HA 0.491 4.831 4.340 -0.000 0.000 0.197 688 R C 1.804 178.065 176.300 -0.065 0.000 0.913 688 R CA 0.434 56.540 56.100 0.010 0.000 1.040 688 R CB -0.411 29.893 30.300 0.006 0.000 0.992 688 R HN 0.422 nan 8.270 nan 0.000 0.500 689 G N 0.728 109.461 108.800 -0.112 0.000 3.088 689 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.217 689 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.217 689 G C -0.207 174.719 174.900 0.042 0.000 1.159 689 G CA -0.439 44.516 45.100 -0.242 0.000 0.760 689 G HN 0.327 nan 8.290 nan 0.000 0.550 690 E N 1.473 121.740 120.200 0.112 0.000 2.081 690 E HA 0.240 4.590 4.350 -0.000 0.000 0.270 690 E C 0.455 177.201 176.600 0.243 0.000 1.180 690 E CA -0.363 56.132 56.400 0.157 0.000 0.926 690 E CB -0.265 29.519 29.700 0.139 0.000 1.035 690 E HN 0.250 nan 8.360 nan 0.000 0.418 691 L N 4.952 126.278 121.223 0.173 0.000 3.739 691 L HA -0.286 4.054 4.340 -0.000 0.000 0.442 691 L C 0.789 177.743 176.870 0.140 0.000 1.241 691 L CA 0.182 55.024 54.840 0.005 0.000 0.819 691 L CB -2.097 39.939 42.059 -0.039 0.000 1.679 691 L HN 0.661 nan 8.230 nan 0.000 0.889 692 F N -0.647 119.327 119.950 0.040 0.000 2.661 692 F HA 0.388 4.915 4.527 -0.000 0.000 0.298 692 F C 0.653 176.596 175.800 0.238 0.000 1.137 692 F CA -0.039 58.066 58.000 0.174 0.000 1.454 692 F CB 0.281 39.241 39.000 -0.067 0.000 1.103 692 F HN 0.121 nan 8.300 nan 0.000 0.577 693 L N 1.101 121.714 121.223 -1.017 0.000 2.555 693 L HA 0.471 4.811 4.340 -0.000 0.000 0.264 693 L C -1.639 174.783 176.870 -0.747 0.000 0.972 693 L CA -0.910 53.373 54.840 -0.928 0.000 0.876 693 L CB 0.766 41.915 42.059 -1.517 0.000 1.216 693 L HN -0.031 nan 8.230 nan 0.000 0.415 694 F N 3.925 123.462 119.950 -0.688 0.000 2.389 694 F HA 0.468 4.995 4.527 -0.000 0.000 0.337 694 F C -0.104 175.319 175.800 -0.628 0.000 1.112 694 F CA 0.236 57.827 58.000 -0.683 0.000 1.192 694 F CB 1.007 39.377 39.000 -1.050 0.000 1.185 694 F HN 0.414 nan 8.300 nan 0.000 0.552 695 W N 3.891 124.983 121.300 -0.347 0.000 2.781 695 W HA 0.257 4.917 4.660 -0.000 0.000 0.333 695 W C -1.222 175.136 176.519 -0.268 0.000 1.047 695 W CA -1.074 56.102 57.345 -0.281 0.000 1.236 695 W CB 1.808 31.139 29.460 -0.216 0.000 1.394 695 W HN 0.497 nan 8.180 nan 0.000 0.466 696 N N 5.479 124.210 118.700 0.052 0.000 2.518 696 N HA 0.352 5.092 4.740 -0.000 0.000 0.254 696 N C -0.299 175.239 175.510 0.046 0.000 0.979 696 N CA -0.126 52.888 53.050 -0.059 0.000 0.930 696 N CB 0.752 39.126 38.487 -0.188 0.000 1.152 696 N HN 0.507 nan 8.380 nan 0.000 0.505 697 L N 2.508 123.646 121.223 -0.141 0.000 3.174 697 L HA 0.306 4.646 4.340 -0.000 0.000 0.283 697 L C -0.658 175.881 176.870 -0.551 0.000 1.187 697 L CA -0.289 54.329 54.840 -0.371 0.000 1.018 697 L CB 0.192 41.885 42.059 -0.610 0.000 1.433 697 L HN 0.469 nan 8.230 nan 0.000 0.593 698 Y N 0.165 120.555 120.300 0.150 0.000 2.631 698 Y HA 0.295 4.845 4.550 -0.000 0.000 0.328 698 Y C 1.449 177.456 175.900 0.179 0.000 1.118 698 Y CA -1.129 57.062 58.100 0.151 0.000 1.206 698 Y CB 0.832 39.381 38.460 0.148 0.000 1.337 698 Y HN -0.177 nan 8.280 nan 0.000 0.515 699 K N 0.448 121.056 120.400 0.348 0.000 2.007 699 K HA 0.159 4.478 4.320 -0.000 0.000 0.206 699 K C 0.757 177.520 176.600 0.271 0.000 1.047 699 K CA 0.926 57.361 56.287 0.247 0.000 0.937 699 K CB -0.587 32.031 32.500 0.196 0.000 0.718 699 K HN 0.530 nan 8.250 nan 0.000 0.438 700 A N 3.639 126.657 122.820 0.330 0.000 2.466 700 A HA 0.140 4.460 4.320 -0.000 0.000 0.238 700 A C -2.078 175.744 177.584 0.395 0.000 1.074 700 A CA -1.166 51.096 52.037 0.375 0.000 0.774 700 A CB -0.455 18.868 19.000 0.538 0.000 1.015 700 A HN 0.206 nan 8.150 nan 0.000 0.498 701 P HA 0.216 nan 4.420 nan 0.000 0.259 701 P C -0.854 176.867 177.300 0.703 0.000 1.635 701 P CA 0.785 64.190 63.100 0.509 0.000 1.199 701 P CB -0.203 31.677 31.700 0.299 0.000 1.850 702 I N 3.458 124.394 120.570 0.610 0.000 2.607 702 I HA 0.351 4.521 4.170 -0.000 0.000 0.290 702 I C -1.373 174.760 176.117 0.027 0.000 1.129 702 I CA -1.350 60.121 61.300 0.285 0.000 1.042 702 I CB 1.905 39.976 38.000 0.118 0.000 1.242 702 I HN 0.017 nan 8.210 nan 0.000 0.421 703 L N 7.052 128.238 121.223 -0.062 0.000 2.334 703 L HA 0.538 4.877 4.340 -0.000 0.000 0.273 703 L C -1.220 175.671 176.870 0.034 0.000 1.013 703 L CA -1.002 53.737 54.840 -0.168 0.000 0.816 703 L CB 1.977 43.899 42.059 -0.229 0.000 1.278 703 L HN 0.452 nan 8.230 nan 0.000 0.431 704 L N 2.488 123.740 121.223 0.047 0.000 2.316 704 L HA 0.613 4.953 4.340 -0.000 0.000 0.280 704 L C -0.059 176.776 176.870 -0.058 0.000 1.006 704 L CA -0.100 54.763 54.840 0.038 0.000 0.836 704 L CB 1.397 43.497 42.059 0.068 0.000 1.221 704 L HN 0.642 nan 8.230 nan 0.000 0.418 705 A N 5.820 128.545 122.820 -0.158 0.000 2.309 705 A HA 0.761 5.081 4.320 -0.000 0.000 0.298 705 A C -0.790 176.632 177.584 -0.270 0.000 1.165 705 A CA -0.462 51.301 52.037 -0.458 0.000 0.821 705 A CB 0.387 19.084 19.000 -0.506 0.000 1.102 705 A HN 0.661 nan 8.150 nan 0.000 0.500 706 L N 2.514 123.545 121.223 -0.319 0.000 2.317 706 L HA 0.583 4.923 4.340 -0.000 0.000 0.281 706 L C -0.903 176.025 176.870 0.097 0.000 1.024 706 L CA -0.967 53.830 54.840 -0.071 0.000 0.810 706 L CB 1.865 43.858 42.059 -0.111 0.000 1.240 706 L HN 0.435 nan 8.230 nan 0.000 0.427 707 V N 1.566 121.577 119.914 0.160 0.000 2.376 707 V HA 0.775 4.895 4.120 -0.000 0.000 0.287 707 V C 0.181 176.370 176.094 0.159 0.000 1.015 707 V CA -0.377 62.015 62.300 0.153 0.000 0.834 707 V CB 0.913 32.788 31.823 0.088 0.000 1.001 707 V HN 0.924 nan 8.190 nan 0.000 0.428 708 A N 3.466 126.341 122.820 0.092 0.000 2.578 708 A HA 1.065 5.385 4.320 -0.000 0.000 0.255 708 A C 0.779 178.299 177.584 -0.106 0.000 1.251 708 A CA -0.113 51.923 52.037 -0.002 0.000 0.882 708 A CB 0.750 19.708 19.000 -0.070 0.000 1.416 708 A HN 2.146 nan 8.150 nan 0.000 0.462 709 G N -0.177 108.533 108.800 -0.149 0.000 2.591 709 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.278 709 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.278 709 G C 0.490 175.330 174.900 -0.101 0.000 1.293 709 G CA 0.708 45.717 45.100 -0.152 0.000 0.930 709 G HN 1.398 nan 8.290 nan 0.000 0.562 710 E N 0.317 120.465 120.200 -0.088 0.000 2.472 710 E HA 0.190 4.540 4.350 -0.000 0.000 0.200 710 E C 2.414 178.995 176.600 -0.031 0.000 1.046 710 E CA 1.295 57.661 56.400 -0.057 0.000 0.871 710 E CB -0.207 29.462 29.700 -0.052 0.000 0.806 710 E HN 0.938 nan 8.360 nan 0.000 0.533 711 A N 1.930 124.733 122.820 -0.028 0.000 1.970 711 A HA 0.140 4.460 4.320 -0.000 0.000 0.216 711 A C 2.504 180.093 177.584 0.009 0.000 1.170 711 A CA 1.126 53.163 52.037 -0.001 0.000 0.645 711 A CB -0.493 18.515 19.000 0.012 0.000 0.816 711 A HN 0.353 nan 8.150 nan 0.000 0.447 712 A N -0.107 122.716 122.820 0.004 0.000 1.884 712 A HA -0.032 4.288 4.320 -0.000 0.000 0.219 712 A C 2.412 180.009 177.584 0.022 0.000 1.197 712 A CA 2.283 54.333 52.037 0.022 0.000 0.637 712 A CB -1.470 17.538 19.000 0.015 0.000 0.827 712 A HN 0.743 nan 8.150 nan 0.000 0.450 713 G N -0.558 108.248 108.800 0.009 0.000 2.402 713 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.216 713 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.216 713 G C 1.565 176.471 174.900 0.010 0.000 1.162 713 G CA 0.993 46.100 45.100 0.012 0.000 0.777 713 G HN 0.473 nan 8.290 nan 0.000 0.539 714 I N 0.700 121.274 120.570 0.007 0.000 2.142 714 I HA -0.187 3.983 4.170 -0.000 0.000 0.240 714 I C 2.898 179.021 176.117 0.010 0.000 1.078 714 I CA 1.033 62.337 61.300 0.007 0.000 1.343 714 I CB -0.188 37.816 38.000 0.007 0.000 1.046 714 I HN 0.116 nan 8.210 nan 0.000 0.405 715 M N -0.045 119.564 119.600 0.016 0.000 2.260 715 M HA -0.238 4.242 4.480 -0.000 0.000 0.261 715 M C 1.806 178.113 176.300 0.011 0.000 1.066 715 M CA 1.565 56.876 55.300 0.018 0.000 1.082 715 M CB -1.022 31.595 32.600 0.028 0.000 1.388 715 M HN 0.305 nan 8.290 nan 0.000 0.419 716 E N 0.296 120.502 120.200 0.010 0.000 2.510 716 E HA -0.108 4.242 4.350 -0.000 0.000 0.202 716 E C 0.518 177.113 176.600 -0.009 0.000 1.072 716 E CA 0.290 56.690 56.400 -0.001 0.000 0.883 716 E CB -0.118 29.584 29.700 0.002 0.000 0.818 716 E HN 0.516 nan 8.360 nan 0.000 0.548 717 N N 0.387 119.085 118.700 -0.004 0.000 2.321 717 N HA 0.188 4.928 4.740 -0.000 0.000 0.242 717 N C -0.335 175.173 175.510 -0.005 0.000 1.141 717 N CA 0.259 53.305 53.050 -0.007 0.000 0.864 717 N CB 0.939 39.423 38.487 -0.004 0.000 1.100 717 N HN 0.090 nan 8.380 nan 0.000 0.510 718 I N -0.052 120.515 120.570 -0.004 0.000 2.892 718 I HA 0.230 4.400 4.170 -0.000 0.000 0.306 718 I C 0.218 176.331 176.117 -0.007 0.000 1.078 718 I CA -0.789 60.511 61.300 -0.001 0.000 1.032 718 I CB 2.036 40.040 38.000 0.007 0.000 1.229 718 I HN -0.195 nan 8.210 nan 0.000 0.435 719 S N 1.881 117.578 115.700 -0.005 0.000 2.579 719 S HA -0.002 4.468 4.470 -0.000 0.000 0.275 719 S C 0.393 174.987 174.600 -0.011 0.000 1.345 719 S CA -0.430 57.764 58.200 -0.009 0.000 1.031 719 S CB 0.679 63.876 63.200 -0.005 0.000 0.892 719 S HN 0.565 nan 8.310 nan 0.000 0.529 720 D N 1.666 122.054 120.400 -0.020 0.000 2.144 720 D HA -0.112 4.528 4.640 -0.000 0.000 0.199 720 D C 1.421 177.713 176.300 -0.015 0.000 0.984 720 D CA 1.149 55.134 54.000 -0.026 0.000 0.834 720 D CB -0.182 40.593 40.800 -0.041 0.000 0.955 720 D HN 0.535 nan 8.370 nan 0.000 0.465 721 D N 0.316 120.711 120.400 -0.009 0.000 2.108 721 D HA -0.131 4.509 4.640 -0.000 0.000 0.190 721 D C 2.298 178.603 176.300 0.009 0.000 0.995 721 D CA 1.101 55.100 54.000 -0.001 0.000 0.834 721 D CB -0.371 40.430 40.800 0.001 0.000 0.967 721 D HN 0.104 nan 8.370 nan 0.000 0.446 722 V N 1.752 121.672 119.914 0.010 0.000 2.332 722 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 722 V C 2.625 178.734 176.094 0.025 0.000 1.055 722 V CA 1.184 63.495 62.300 0.018 0.000 1.038 722 V CB -0.451 31.381 31.823 0.016 0.000 0.651 722 V HN 0.190 nan 8.190 nan 0.000 0.450 723 I N -0.165 120.417 120.570 0.019 0.000 2.127 723 I HA -0.237 3.933 4.170 -0.000 0.000 0.241 723 I C 2.392 178.531 176.117 0.037 0.000 1.075 723 I CA 1.591 62.906 61.300 0.025 0.000 1.334 723 I CB -0.250 37.756 38.000 0.010 0.000 1.040 723 I HN 0.157 nan 8.210 nan 0.000 0.405 724 V N 0.924 120.855 119.914 0.028 0.000 2.568 724 V HA -0.243 3.877 4.120 -0.000 0.000 0.253 724 V C 2.446 178.581 176.094 0.069 0.000 1.072 724 V CA 2.018 64.344 62.300 0.044 0.000 1.084 724 V CB -1.339 30.491 31.823 0.011 0.000 0.676 724 V HN 0.617 nan 8.190 nan 0.000 0.469 725 G N 0.091 108.922 108.800 0.053 0.000 2.402 725 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 725 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 725 G C 1.679 176.620 174.900 0.069 0.000 1.162 725 G CA 0.393 45.526 45.100 0.056 0.000 0.777 725 G HN 0.461 nan 8.290 nan 0.000 0.539 726 R N -0.363 120.179 120.500 0.068 0.000 2.152 726 R HA -0.043 4.297 4.340 -0.000 0.000 0.232 726 R C 2.535 178.899 176.300 0.107 0.000 1.117 726 R CA 1.027 57.172 56.100 0.075 0.000 0.981 726 R CB -0.702 29.640 30.300 0.071 0.000 0.870 726 R HN 0.383 nan 8.270 nan 0.000 0.451 727 C N 0.929 120.319 119.300 0.151 0.000 2.473 727 C HA -0.017 4.443 4.460 -0.000 0.000 0.279 727 C C 2.705 177.835 174.990 0.234 0.000 1.250 727 C CA 0.368 59.553 59.018 0.279 0.000 1.713 727 C CB -0.915 27.010 27.740 0.308 0.000 2.066 727 C HN 0.424 nan 8.230 nan 0.000 0.474 728 L N 1.288 122.620 121.223 0.181 0.000 2.021 728 L HA -0.266 4.074 4.340 -0.000 0.000 0.215 728 L C 2.891 179.801 176.870 0.067 0.000 1.074 728 L CA 1.925 56.845 54.840 0.135 0.000 0.760 728 L CB -1.101 41.020 42.059 0.104 0.000 0.889 728 L HN 0.413 nan 8.230 nan 0.000 0.433 729 A N 0.801 123.653 122.820 0.055 0.000 1.842 729 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 729 A C 2.163 179.746 177.584 -0.002 0.000 1.206 729 A CA 2.163 54.215 52.037 0.025 0.000 0.630 729 A CB -0.984 18.035 19.000 0.030 0.000 0.839 729 A HN 0.365 nan 8.150 nan 0.000 0.447 730 I N -0.353 120.203 120.570 -0.022 0.000 2.181 730 I HA -0.357 3.813 4.170 -0.000 0.000 0.247 730 I C 2.496 178.540 176.117 -0.122 0.000 1.081 730 I CA 1.556 62.784 61.300 -0.120 0.000 1.340 730 I CB -0.563 37.312 38.000 -0.208 0.000 1.036 730 I HN 0.357 nan 8.210 nan 0.000 0.417 731 L N 0.923 122.104 121.223 -0.070 0.000 1.948 731 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 731 L C 2.518 179.424 176.870 0.060 0.000 1.074 731 L CA 1.724 56.567 54.840 0.005 0.000 0.753 731 L CB -0.665 41.473 42.059 0.132 0.000 0.888 731 L HN 0.295 nan 8.230 nan 0.000 0.432 732 K N 0.252 120.651 120.400 -0.002 0.000 2.574 732 K HA -0.028 4.292 4.320 -0.000 0.000 0.193 732 K C 1.621 178.203 176.600 -0.031 0.000 1.035 732 K CA 0.989 57.258 56.287 -0.031 0.000 0.982 732 K CB -0.375 32.075 32.500 -0.084 0.000 0.795 732 K HN 0.346 nan 8.250 nan 0.000 0.491 733 G N 2.122 110.894 108.800 -0.047 0.000 2.492 733 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.214 733 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.214 733 G C 1.538 176.378 174.900 -0.100 0.000 1.147 733 G CA 0.386 45.457 45.100 -0.048 0.000 0.809 733 G HN 0.459 nan 8.290 nan 0.000 0.533 734 I N -4.309 116.123 120.570 -0.229 0.000 3.708 734 I HA 0.443 4.613 4.170 -0.000 0.000 0.302 734 I C 1.330 177.086 176.117 -0.602 0.000 1.255 734 I CA -0.192 60.823 61.300 -0.475 0.000 1.362 734 I CB 0.044 37.468 38.000 -0.961 0.000 1.100 734 I HN -0.027 nan 8.210 nan 0.000 0.434 735 F N 2.038 121.861 119.950 -0.213 0.000 2.672 735 F HA 0.635 5.162 4.527 -0.000 0.000 0.245 735 F C 1.674 177.411 175.800 -0.105 0.000 1.151 735 F CA -0.291 57.623 58.000 -0.143 0.000 1.018 735 F CB -0.621 38.349 39.000 -0.050 0.000 2.068 735 F HN -0.156 nan 8.300 nan 0.000 0.583 736 G N 0.039 108.949 108.800 0.184 0.000 2.432 736 G HA2 0.157 4.117 3.960 -0.000 0.000 0.239 736 G HA3 0.157 4.117 3.960 -0.000 0.000 0.239 736 G C -0.534 174.354 174.900 -0.019 0.000 1.291 736 G CA -0.481 44.638 45.100 0.032 0.000 0.863 736 G HN 0.380 nan 8.290 nan 0.000 0.560 737 S N 1.147 116.836 115.700 -0.019 0.000 2.858 737 S HA 0.096 4.566 4.470 -0.000 0.000 0.328 737 S C 1.337 175.912 174.600 -0.041 0.000 1.149 737 S CA 0.866 59.051 58.200 -0.025 0.000 1.421 737 S CB -0.015 63.174 63.200 -0.018 0.000 1.461 737 S HN 1.211 nan 8.310 nan 0.000 0.587 738 S N 1.681 117.349 115.700 -0.053 0.000 3.521 738 S HA -0.298 4.171 4.470 -0.000 0.000 0.362 738 S C 0.793 175.336 174.600 -0.094 0.000 1.044 738 S CA 0.584 58.743 58.200 -0.068 0.000 1.091 738 S CB -1.188 61.988 63.200 -0.040 0.000 0.908 738 S HN 1.037 nan 8.310 nan 0.000 0.473 739 A N 0.226 122.971 122.820 -0.125 0.000 2.577 739 A HA 0.582 4.901 4.320 -0.000 0.000 0.280 739 A C 0.202 177.603 177.584 -0.304 0.000 1.331 739 A CA 0.036 51.985 52.037 -0.146 0.000 0.935 739 A CB 0.461 19.404 19.000 -0.095 0.000 1.082 739 A HN 0.577 nan 8.150 nan 0.000 0.525 740 V N 1.908 121.590 119.914 -0.387 0.000 2.334 740 V HA 0.260 4.380 4.120 -0.000 0.000 0.281 740 V C -2.036 173.873 176.094 -0.309 0.000 1.016 740 V CA -1.441 60.428 62.300 -0.719 0.000 0.832 740 V CB 1.220 32.608 31.823 -0.725 0.000 0.999 740 V HN 0.354 nan 8.190 nan 0.000 0.439 741 P HA 0.113 nan 4.420 nan 0.000 0.281 741 P C -0.715 176.709 177.300 0.207 0.000 1.274 741 P CA -0.339 62.807 63.100 0.076 0.000 0.794 741 P CB 0.369 32.187 31.700 0.198 0.000 1.201 742 Q N 0.845 120.756 119.800 0.186 0.000 2.293 742 Q HA 0.331 4.671 4.340 -0.000 0.000 0.261 742 Q C -2.462 173.579 176.000 0.068 0.000 0.960 742 Q CA -2.704 53.174 55.803 0.125 0.000 0.882 742 Q CB 0.470 29.247 28.738 0.064 0.000 1.275 742 Q HN 0.176 nan 8.270 nan 0.000 0.445 743 P HA -0.038 nan 4.420 nan 0.000 0.263 743 P C -0.362 176.842 177.300 -0.161 0.000 1.195 743 P CA -0.031 62.801 63.100 -0.446 0.000 0.762 743 P CB 0.838 32.224 31.700 -0.522 0.000 0.799 744 K N 1.612 121.963 120.400 -0.082 0.000 2.057 744 K HA -0.021 4.299 4.320 -0.000 0.000 0.206 744 K C 0.896 177.532 176.600 0.059 0.000 1.050 744 K CA 1.411 57.729 56.287 0.053 0.000 0.935 744 K CB 0.162 32.764 32.500 0.170 0.000 0.715 744 K HN 0.567 nan 8.250 nan 0.000 0.439 745 E N -0.265 119.950 120.200 0.024 0.000 2.392 745 E HA 0.436 4.786 4.350 -0.000 0.000 0.269 745 E C -0.789 175.751 176.600 -0.100 0.000 0.924 745 E CA -0.496 55.935 56.400 0.053 0.000 0.784 745 E CB 2.237 32.096 29.700 0.264 0.000 1.292 745 E HN -0.204 nan 8.360 nan 0.000 0.447 746 T N 0.198 114.684 114.554 -0.113 0.000 3.159 746 T HA 0.400 4.750 4.350 -0.000 0.000 0.343 746 T C -1.201 173.342 174.700 -0.261 0.000 1.364 746 T CA -0.473 61.511 62.100 -0.193 0.000 1.102 746 T CB 1.434 70.222 68.868 -0.132 0.000 1.263 746 T HN 0.179 nan 8.240 nan 0.000 0.477 747 V N 2.667 122.376 119.914 -0.342 0.000 2.962 747 V HA 0.862 4.982 4.120 -0.000 0.000 0.313 747 V C -0.909 175.056 176.094 -0.214 0.000 1.099 747 V CA -0.755 61.326 62.300 -0.365 0.000 0.971 747 V CB 2.404 33.834 31.823 -0.656 0.000 1.028 747 V HN 0.706 nan 8.190 nan 0.000 0.430 748 V N 2.140 121.960 119.914 -0.157 0.000 2.612 748 V HA 0.468 4.588 4.120 -0.000 0.000 0.301 748 V C -0.052 175.984 176.094 -0.097 0.000 1.059 748 V CA -0.448 61.793 62.300 -0.097 0.000 0.886 748 V CB 2.294 34.074 31.823 -0.072 0.000 1.007 748 V HN 1.035 nan 8.190 nan 0.000 0.426 749 S N 5.316 120.980 115.700 -0.060 0.000 2.586 749 S HA 0.686 5.156 4.470 -0.000 0.000 0.274 749 S C -0.149 174.379 174.600 -0.120 0.000 1.281 749 S CA -0.624 57.504 58.200 -0.120 0.000 1.035 749 S CB 1.161 64.379 63.200 0.029 0.000 0.962 749 S HN 0.701 nan 8.310 nan 0.000 0.512 750 R N 1.917 122.249 120.500 -0.281 0.000 2.639 750 R HA 0.209 4.549 4.340 -0.000 0.000 0.273 750 R C -0.638 175.536 176.300 -0.210 0.000 1.732 750 R CA -0.254 55.750 56.100 -0.160 0.000 1.586 750 R CB 0.173 30.396 30.300 -0.128 0.000 1.263 750 R HN 0.848 nan 8.270 nan 0.000 0.615 751 W N 0.556 121.858 121.300 0.004 0.000 2.465 751 W HA -0.021 4.639 4.660 -0.000 0.000 0.268 751 W C 1.983 178.517 176.519 0.025 0.000 1.242 751 W CA 0.164 57.520 57.345 0.017 0.000 1.248 751 W CB 0.114 29.572 29.460 -0.003 0.000 1.118 751 W HN 0.234 nan 8.180 nan 0.000 0.587 752 R N 0.384 120.986 120.500 0.170 0.000 2.066 752 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 752 R C 2.235 178.570 176.300 0.059 0.000 1.131 752 R CA 1.601 57.773 56.100 0.119 0.000 0.955 752 R CB -1.417 28.925 30.300 0.071 0.000 0.851 752 R HN 0.217 nan 8.270 nan 0.000 0.432 753 A N 1.293 124.114 122.820 0.001 0.000 1.877 753 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 753 A C 0.864 178.395 177.584 -0.090 0.000 1.186 753 A CA 0.821 52.826 52.037 -0.053 0.000 0.620 753 A CB -0.691 18.264 19.000 -0.076 0.000 0.822 753 A HN 0.304 nan 8.150 nan 0.000 0.443 754 D N 0.359 120.700 120.400 -0.099 0.000 2.854 754 D HA -0.017 4.623 4.640 -0.000 0.000 0.243 754 D C -1.653 174.578 176.300 -0.115 0.000 1.243 754 D CA -0.761 53.168 54.000 -0.118 0.000 0.883 754 D CB 0.607 41.354 40.800 -0.088 0.000 1.145 754 D HN 0.112 nan 8.370 nan 0.000 0.555 755 P HA -0.094 nan 4.420 nan 0.000 0.223 755 P C 0.758 177.823 177.300 -0.392 0.000 1.144 755 P CA 1.126 63.928 63.100 -0.496 0.000 0.783 755 P CB -0.016 31.157 31.700 -0.878 0.000 0.771 756 W N -1.675 119.648 121.300 0.038 0.000 3.077 756 W HA 0.340 5.000 4.660 -0.000 0.000 0.266 756 W C 2.014 178.599 176.519 0.111 0.000 1.300 756 W CA 0.182 57.561 57.345 0.056 0.000 1.586 756 W CB 0.019 29.508 29.460 0.050 0.000 1.103 756 W HN -0.080 nan 8.180 nan 0.000 0.652 757 A N -0.346 122.681 122.820 0.345 0.000 2.016 757 A HA 0.280 4.599 4.320 -0.000 0.000 0.202 757 A C 1.304 179.108 177.584 0.367 0.000 1.632 757 A CA 0.033 52.315 52.037 0.408 0.000 0.891 757 A CB 0.146 19.523 19.000 0.629 0.000 1.103 757 A HN 0.003 nan 8.150 nan 0.000 0.547 758 R N -0.674 120.011 120.500 0.309 0.000 3.654 758 R HA -0.123 4.217 4.340 -0.000 0.000 0.302 758 R C 0.397 177.010 176.300 0.521 0.000 1.166 758 R CA 1.140 57.409 56.100 0.280 0.000 0.810 758 R CB -2.430 27.940 30.300 0.117 0.000 1.323 758 R HN 2.129 nan 8.270 nan 0.000 0.478 759 G N -2.178 106.896 108.800 0.457 0.000 2.355 759 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.619 759 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.619 759 G C 0.525 175.300 174.900 -0.208 0.000 1.337 759 G CA -0.117 45.060 45.100 0.127 0.000 0.993 759 G HN 0.022 nan 8.290 nan 0.000 0.599 760 S N -0.599 114.736 115.700 -0.608 0.000 2.374 760 S HA 0.367 4.837 4.470 -0.000 0.000 0.207 760 S C 0.631 174.755 174.600 -0.792 0.000 1.042 760 S CA 2.193 59.897 58.200 -0.827 0.000 1.034 760 S CB -0.439 62.029 63.200 -1.219 0.000 1.018 760 S HN 1.373 nan 8.310 nan 0.000 0.419 761 Y N -0.621 119.260 120.300 -0.698 0.000 2.725 761 Y HA 0.646 5.196 4.550 -0.000 0.000 0.333 761 Y C -0.079 175.616 175.900 -0.342 0.000 1.242 761 Y CA -1.622 56.219 58.100 -0.432 0.000 1.059 761 Y CB 0.224 38.587 38.460 -0.162 0.000 1.306 761 Y HN 0.235 nan 8.280 nan 0.000 0.454 762 S N 0.469 116.343 115.700 0.290 0.000 2.606 762 S HA 0.603 5.073 4.470 -0.000 0.000 0.257 762 S C -0.961 173.852 174.600 0.354 0.000 1.327 762 S CA 0.308 58.664 58.200 0.262 0.000 0.984 762 S CB 0.437 63.853 63.200 0.361 0.000 0.941 762 S HN 1.342 nan 8.310 nan 0.000 0.576 763 Y N -3.636 116.836 120.300 0.286 0.000 2.620 763 Y HA 0.544 5.094 4.550 -0.000 0.000 0.331 763 Y C -1.533 174.534 175.900 0.278 0.000 1.173 763 Y CA -1.691 56.574 58.100 0.275 0.000 1.076 763 Y CB 0.251 38.817 38.460 0.176 0.000 1.336 763 Y HN 0.445 nan 8.280 nan 0.000 0.459 764 V N 3.195 123.439 119.914 0.550 0.000 2.397 764 V HA 0.619 4.739 4.120 -0.000 0.000 0.262 764 V C 0.758 177.130 176.094 0.465 0.000 1.047 764 V CA 0.228 62.788 62.300 0.432 0.000 1.003 764 V CB -0.226 31.859 31.823 0.436 0.000 1.037 764 V HN 0.999 nan 8.190 nan 0.000 0.480 765 A N 4.722 127.727 122.820 0.309 0.000 2.286 765 A HA 0.790 5.110 4.320 -0.000 0.000 0.286 765 A C 0.773 178.484 177.584 0.211 0.000 1.097 765 A CA -0.102 52.133 52.037 0.330 0.000 0.821 765 A CB 0.560 19.696 19.000 0.226 0.000 1.076 765 A HN 1.320 nan 8.150 nan 0.000 0.490 766 A N 0.187 123.106 122.820 0.164 0.000 2.561 766 A HA 0.458 4.778 4.320 -0.000 0.000 0.251 766 A C 1.560 179.198 177.584 0.091 0.000 1.062 766 A CA 1.073 53.175 52.037 0.109 0.000 0.761 766 A CB -0.967 18.063 19.000 0.051 0.000 0.986 766 A HN 2.721 nan 8.150 nan 0.000 0.510 767 G N 1.206 110.067 108.800 0.103 0.000 2.349 767 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.213 767 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.213 767 G C 1.011 175.958 174.900 0.079 0.000 1.044 767 G CA 0.745 45.889 45.100 0.074 0.000 0.633 767 G HN 1.644 nan 8.290 nan 0.000 0.506 768 S N 0.029 115.781 115.700 0.087 0.000 2.632 768 S HA 0.808 5.278 4.470 -0.000 0.000 0.267 768 S C 0.558 175.202 174.600 0.073 0.000 1.193 768 S CA 1.415 59.644 58.200 0.048 0.000 1.003 768 S CB 1.158 64.364 63.200 0.011 0.000 1.073 768 S HN 2.257 nan 8.310 nan 0.000 0.553 769 S N -1.362 114.336 115.700 -0.002 0.000 2.669 769 S HA 0.430 4.900 4.470 -0.000 0.000 0.266 769 S C 0.767 175.351 174.600 -0.027 0.000 1.149 769 S CA -0.124 57.973 58.200 -0.172 0.000 0.842 769 S CB 0.364 63.260 63.200 -0.507 0.000 1.160 769 S HN 1.091 nan 8.310 nan 0.000 0.487 770 G N 0.562 109.298 108.800 -0.105 0.000 2.535 770 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.218 770 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.218 770 G C 0.945 175.885 174.900 0.067 0.000 1.122 770 G CA 1.000 46.130 45.100 0.051 0.000 0.769 770 G HN 0.706 nan 8.290 nan 0.000 0.549 771 N N 0.488 119.181 118.700 -0.011 0.000 2.250 771 N HA -0.034 4.706 4.740 -0.000 0.000 0.181 771 N C 1.557 177.073 175.510 0.011 0.000 1.017 771 N CA 0.896 53.941 53.050 -0.008 0.000 0.866 771 N CB 0.012 38.475 38.487 -0.040 0.000 0.985 771 N HN 0.058 nan 8.380 nan 0.000 0.429 772 D N -0.791 119.601 120.400 -0.014 0.000 2.218 772 D HA -0.142 4.498 4.640 -0.000 0.000 0.204 772 D C 1.219 177.457 176.300 -0.103 0.000 0.976 772 D CA 0.903 54.857 54.000 -0.077 0.000 0.853 772 D CB -0.214 40.493 40.800 -0.154 0.000 0.939 772 D HN 0.442 nan 8.370 nan 0.000 0.481 773 Y N 0.969 121.247 120.300 -0.037 0.000 2.263 773 Y HA -0.107 4.443 4.550 -0.000 0.000 0.292 773 Y C 2.142 178.016 175.900 -0.043 0.000 1.130 773 Y CA 0.875 58.953 58.100 -0.037 0.000 1.179 773 Y CB 0.025 38.456 38.460 -0.048 0.000 0.998 773 Y HN -0.099 nan 8.280 nan 0.000 0.532 774 D N -0.003 120.461 120.400 0.108 0.000 2.097 774 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 774 D C 2.217 178.534 176.300 0.028 0.000 0.984 774 D CA 1.129 55.156 54.000 0.045 0.000 0.826 774 D CB -0.403 40.404 40.800 0.013 0.000 0.973 774 D HN 0.272 nan 8.370 nan 0.000 0.460 775 L N 0.207 121.442 121.223 0.021 0.000 2.187 775 L HA -0.162 4.178 4.340 -0.000 0.000 0.213 775 L C 2.441 179.371 176.870 0.102 0.000 1.100 775 L CA 0.617 55.497 54.840 0.066 0.000 0.765 775 L CB -0.318 41.807 42.059 0.111 0.000 0.904 775 L HN 0.085 nan 8.230 nan 0.000 0.437 776 M N -0.579 119.018 119.600 -0.005 0.000 2.175 776 M HA -0.120 4.360 4.480 -0.000 0.000 0.264 776 M C 2.547 178.817 176.300 -0.050 0.000 1.063 776 M CA 1.762 56.995 55.300 -0.112 0.000 1.119 776 M CB -1.093 31.438 32.600 -0.114 0.000 1.377 776 M HN 0.276 nan 8.290 nan 0.000 0.415 777 A N -0.557 122.288 122.820 0.041 0.000 1.969 777 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 777 A C 1.207 178.909 177.584 0.198 0.000 1.169 777 A CA 0.512 52.616 52.037 0.112 0.000 0.635 777 A CB -0.478 18.568 19.000 0.077 0.000 0.810 777 A HN 0.436 nan 8.150 nan 0.000 0.445 778 Q N 0.766 120.666 119.800 0.166 0.000 2.436 778 Q HA 0.009 4.349 4.340 -0.000 0.000 0.326 778 Q C -2.309 173.887 176.000 0.326 0.000 1.079 778 Q CA -0.399 55.518 55.803 0.190 0.000 1.049 778 Q CB 0.163 28.983 28.738 0.136 0.000 1.047 778 Q HN 0.414 nan 8.270 nan 0.000 0.386 779 P HA 0.268 nan 4.420 nan 0.000 0.284 779 P C -0.338 176.978 177.300 0.028 0.000 1.253 779 P CA -0.243 62.860 63.100 0.005 0.000 0.800 779 P CB 0.890 32.459 31.700 -0.219 0.000 0.961 780 I N 2.184 122.709 120.570 -0.076 0.000 2.336 780 I HA 0.226 4.396 4.170 -0.000 0.000 0.292 780 I C 0.485 176.502 176.117 -0.167 0.000 0.991 780 I CA -0.142 61.148 61.300 -0.017 0.000 1.227 780 I CB 1.222 39.188 38.000 -0.057 0.000 1.366 780 I HN 0.171 nan 8.210 nan 0.000 0.466 781 T N 7.148 121.694 114.554 -0.014 0.000 2.771 781 T HA 0.396 4.746 4.350 -0.000 0.000 0.281 781 T C -2.106 172.661 174.700 0.112 0.000 0.982 781 T CA -1.094 61.011 62.100 0.008 0.000 0.978 781 T CB 1.331 70.214 68.868 0.026 0.000 0.930 781 T HN 0.432 nan 8.240 nan 0.000 0.447 782 P HA 0.336 nan 4.420 nan 0.000 0.274 782 P C 0.369 177.747 177.300 0.129 0.000 1.246 782 P CA -0.363 62.878 63.100 0.234 0.000 0.795 782 P CB 0.587 32.468 31.700 0.303 0.000 1.006 794 P HA 0.212 nan 4.420 nan 0.000 0.265 794 P C -0.344 176.983 177.300 0.046 0.000 1.193 794 P CA -0.206 62.877 63.100 -0.030 0.000 0.765 794 P CB 0.609 32.251 31.700 -0.097 0.000 0.823 795 R N 1.757 122.167 120.500 -0.151 0.000 2.197 795 R HA 0.231 4.571 4.340 -0.000 0.000 0.188 795 R C 0.113 176.270 176.300 -0.238 0.000 1.015 795 R CA 0.183 56.279 56.100 -0.007 0.000 1.132 795 R CB -0.680 29.653 30.300 0.056 0.000 1.134 795 R HN 0.298 nan 8.270 nan 0.000 0.560 796 L N 2.385 123.268 121.223 -0.567 0.000 2.261 796 L HA 0.384 4.724 4.340 -0.000 0.000 0.289 796 L C -1.123 175.230 176.870 -0.862 0.000 1.059 796 L CA -0.139 54.316 54.840 -0.642 0.000 0.816 796 L CB 0.149 41.749 42.059 -0.766 0.000 1.191 796 L HN -0.141 nan 8.230 nan 0.000 0.431 797 F N 4.624 124.269 119.950 -0.509 0.000 2.492 797 F HA 0.611 5.138 4.527 -0.000 0.000 0.327 797 F C -0.327 175.135 175.800 -0.562 0.000 1.079 797 F CA -0.504 57.254 58.000 -0.403 0.000 0.967 797 F CB 1.344 40.229 39.000 -0.192 0.000 1.169 797 F HN 0.181 nan 8.300 nan 0.000 0.472 798 F N 1.172 121.210 119.950 0.148 0.000 2.546 798 F HA 0.852 5.379 4.527 -0.000 0.000 0.320 798 F C 0.085 175.892 175.800 0.012 0.000 1.076 798 F CA -0.891 57.145 58.000 0.060 0.000 0.928 798 F CB 1.833 40.843 39.000 0.017 0.000 1.189 798 F HN 0.601 nan 8.300 nan 0.000 0.465 799 A N 0.843 123.755 122.820 0.154 0.000 2.583 799 A HA 0.974 5.294 4.320 -0.000 0.000 0.289 799 A C -0.403 177.138 177.584 -0.071 0.000 1.151 799 A CA -0.323 51.724 52.037 0.016 0.000 0.695 799 A CB 1.535 20.537 19.000 0.004 0.000 1.290 799 A HN 1.766 nan 8.150 nan 0.000 0.419 800 G N -0.731 108.009 108.800 -0.100 0.000 2.355 800 G HA2 0.294 4.254 3.960 -0.000 0.000 0.619 800 G HA3 0.294 4.254 3.960 -0.000 0.000 0.619 800 G C 0.418 175.266 174.900 -0.086 0.000 1.337 800 G CA 0.456 45.512 45.100 -0.074 0.000 0.993 800 G HN 1.219 nan 8.290 nan 0.000 0.599 801 E N -0.207 120.046 120.200 0.088 0.000 2.208 801 E HA -0.286 4.064 4.350 -0.000 0.000 0.202 801 E C 1.774 178.503 176.600 0.216 0.000 1.014 801 E CA 2.593 59.073 56.400 0.134 0.000 0.819 801 E CB -0.270 29.554 29.700 0.206 0.000 0.735 801 E HN 0.884 nan 8.360 nan 0.000 0.469 802 H N -2.550 116.626 119.070 0.177 0.000 2.539 802 H HA 0.293 4.849 4.556 -0.000 0.000 0.269 802 H C 1.392 176.845 175.328 0.208 0.000 0.980 802 H CA 0.633 56.811 56.048 0.217 0.000 1.152 802 H CB 0.343 30.141 29.762 0.061 0.000 1.407 802 H HN -0.061 nan 8.280 nan 0.000 0.564 803 T N 0.287 114.765 114.554 -0.126 0.000 3.034 803 T HA 0.148 4.498 4.350 -0.000 0.000 0.248 803 T C 0.622 175.351 174.700 0.049 0.000 1.040 803 T CA -0.086 61.965 62.100 -0.081 0.000 1.107 803 T CB 0.225 68.985 68.868 -0.180 0.000 0.932 803 T HN 0.316 nan 8.240 nan 0.000 0.474 804 I N 3.052 123.641 120.570 0.031 0.000 2.291 804 I HA 0.291 4.461 4.170 -0.000 0.000 0.292 804 I C 1.519 177.564 176.117 -0.121 0.000 1.064 804 I CA -0.631 60.663 61.300 -0.009 0.000 1.269 804 I CB 0.597 38.599 38.000 0.004 0.000 1.418 804 I HN -0.018 nan 8.210 nan 0.000 0.485 805 R N 5.182 125.591 120.500 -0.151 0.000 2.096 805 R HA -0.196 4.144 4.340 -0.000 0.000 0.240 805 R C 0.565 176.545 176.300 -0.533 0.000 1.139 805 R CA 2.562 58.469 56.100 -0.322 0.000 0.952 805 R CB -0.012 30.176 30.300 -0.187 0.000 0.854 805 R HN 0.768 nan 8.270 nan 0.000 0.436 806 N N -1.189 117.112 118.700 -0.665 0.000 2.376 806 N HA 0.095 4.835 4.740 -0.000 0.000 0.249 806 N C -1.016 173.741 175.510 -1.254 0.000 1.140 806 N CA 0.028 52.388 53.050 -1.151 0.000 0.870 806 N CB 0.698 37.806 38.487 -2.297 0.000 1.124 806 N HN 0.310 nan 8.380 nan 0.000 0.505 807 Y N -1.517 118.568 120.300 -0.358 0.000 3.070 807 Y HA 0.217 4.767 4.550 -0.000 0.000 0.254 807 Y C -2.459 173.247 175.900 -0.323 0.000 1.070 807 Y CA -1.429 56.500 58.100 -0.285 0.000 1.229 807 Y CB 0.695 39.034 38.460 -0.202 0.000 1.264 807 Y HN 0.045 nan 8.280 nan 0.000 0.639 808 P HA 0.011 nan 4.420 nan 0.000 0.273 808 P C 0.785 177.994 177.300 -0.152 0.000 1.258 808 P CA 1.089 64.079 63.100 -0.185 0.000 0.802 808 P CB 0.906 32.371 31.700 -0.391 0.000 1.040 809 A N -1.411 121.378 122.820 -0.052 0.000 2.744 809 A HA -0.172 4.148 4.320 -0.000 0.000 0.300 809 A C 0.645 177.980 177.584 -0.415 0.000 1.512 809 A CA 1.782 53.702 52.037 -0.194 0.000 0.851 809 A CB -2.790 16.047 19.000 -0.271 0.000 0.987 809 A HN 0.928 nan 8.150 nan 0.000 0.507 810 T N -6.178 108.190 114.554 -0.310 0.000 2.865 810 T HA 0.619 4.969 4.350 -0.000 0.000 0.294 810 T C 0.790 175.326 174.700 -0.273 0.000 1.119 810 T CA -0.158 61.736 62.100 -0.345 0.000 1.007 810 T CB 1.514 70.067 68.868 -0.525 0.000 1.225 810 T HN 0.664 nan 8.240 nan 0.000 0.515 811 V N 1.581 121.405 119.914 -0.151 0.000 2.453 811 V HA -0.120 4.000 4.120 -0.000 0.000 0.247 811 V C 2.685 178.753 176.094 -0.043 0.000 1.048 811 V CA 1.923 64.169 62.300 -0.090 0.000 1.049 811 V CB -1.289 30.494 31.823 -0.066 0.000 0.672 811 V HN 1.028 nan 8.190 nan 0.000 0.457 812 H N 0.273 119.358 119.070 0.026 0.000 2.462 812 H HA 0.044 4.599 4.556 -0.000 0.000 0.292 812 H C 2.315 177.608 175.328 -0.058 0.000 1.049 812 H CA 1.497 57.552 56.048 0.012 0.000 1.334 812 H CB -0.665 29.160 29.762 0.104 0.000 1.404 812 H HN 0.372 nan 8.280 nan 0.000 0.544 813 G N 0.972 109.459 108.800 -0.522 0.000 2.402 813 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.216 813 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.216 813 G C 2.012 176.825 174.900 -0.145 0.000 1.162 813 G CA 1.341 46.271 45.100 -0.282 0.000 0.777 813 G HN 0.622 nan 8.290 nan 0.000 0.539 814 A N 0.569 123.309 122.820 -0.134 0.000 1.877 814 A HA 0.083 4.403 4.320 -0.000 0.000 0.216 814 A C 2.372 179.916 177.584 -0.067 0.000 1.186 814 A CA 1.457 53.450 52.037 -0.072 0.000 0.620 814 A CB -0.486 18.482 19.000 -0.054 0.000 0.822 814 A HN 0.410 nan 8.150 nan 0.000 0.443 815 L N -0.597 120.587 121.223 -0.065 0.000 2.046 815 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 815 L C 2.387 179.196 176.870 -0.103 0.000 1.077 815 L CA 1.216 56.022 54.840 -0.057 0.000 0.747 815 L CB -0.193 41.860 42.059 -0.011 0.000 0.896 815 L HN 0.411 nan 8.230 nan 0.000 0.432 816 L N -0.560 120.587 121.223 -0.126 0.000 2.027 816 L HA -0.195 4.145 4.340 -0.000 0.000 0.206 816 L C 2.905 179.708 176.870 -0.111 0.000 1.074 816 L CA 1.530 56.275 54.840 -0.159 0.000 0.745 816 L CB -0.693 41.249 42.059 -0.194 0.000 0.898 816 L HN 0.480 nan 8.230 nan 0.000 0.433 817 S N -0.108 115.544 115.700 -0.079 0.000 2.383 817 S HA -0.158 4.312 4.470 -0.000 0.000 0.229 817 S C 2.044 176.606 174.600 -0.063 0.000 1.030 817 S CA 1.112 59.278 58.200 -0.055 0.000 1.002 817 S CB -1.176 61.994 63.200 -0.051 0.000 0.829 817 S HN 0.457 nan 8.310 nan 0.000 0.467 818 G N 2.512 111.267 108.800 -0.074 0.000 2.511 818 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.216 818 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.216 818 G C 1.474 176.312 174.900 -0.104 0.000 1.218 818 G CA 1.103 46.155 45.100 -0.080 0.000 0.788 818 G HN 0.504 nan 8.290 nan 0.000 0.560 819 L N -0.035 121.114 121.223 -0.124 0.000 2.043 819 L HA -0.142 4.198 4.340 -0.000 0.000 0.212 819 L C 2.958 179.757 176.870 -0.118 0.000 1.075 819 L CA 1.589 56.343 54.840 -0.143 0.000 0.752 819 L CB -0.597 41.342 42.059 -0.200 0.000 0.891 819 L HN 0.237 nan 8.230 nan 0.000 0.432 820 R N 0.277 120.715 120.500 -0.102 0.000 2.115 820 R HA -0.209 4.131 4.340 -0.000 0.000 0.239 820 R C 2.288 178.538 176.300 -0.083 0.000 1.133 820 R CA 1.921 57.972 56.100 -0.081 0.000 0.935 820 R CB -0.088 30.185 30.300 -0.044 0.000 0.853 820 R HN 0.345 nan 8.270 nan 0.000 0.433 821 E N 0.140 120.294 120.200 -0.077 0.000 2.047 821 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 821 E C 1.962 178.454 176.600 -0.181 0.000 0.987 821 E CA 1.192 57.525 56.400 -0.111 0.000 0.799 821 E CB -0.446 29.203 29.700 -0.085 0.000 0.752 821 E HN 0.468 nan 8.360 nan 0.000 0.449 822 A N 1.319 124.051 122.820 -0.147 0.000 1.927 822 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 822 A C 2.469 180.071 177.584 0.029 0.000 1.185 822 A CA 2.356 54.318 52.037 -0.124 0.000 0.639 822 A CB -1.188 17.704 19.000 -0.179 0.000 0.820 822 A HN 0.357 nan 8.150 nan 0.000 0.451 823 G N -0.932 107.876 108.800 0.014 0.000 2.404 823 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.214 823 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.214 823 G C 1.687 176.508 174.900 -0.132 0.000 1.189 823 G CA 0.972 46.066 45.100 -0.010 0.000 0.789 823 G HN 0.606 nan 8.290 nan 0.000 0.533 824 R N 0.224 120.634 120.500 -0.149 0.000 2.113 824 R HA -0.096 4.244 4.340 -0.000 0.000 0.244 824 R C 2.522 178.719 176.300 -0.172 0.000 1.142 824 R CA 1.703 57.733 56.100 -0.117 0.000 0.953 824 R CB -0.447 29.821 30.300 -0.053 0.000 0.860 824 R HN 0.417 nan 8.270 nan 0.000 0.438 825 I N 0.817 121.161 120.570 -0.376 0.000 2.163 825 I HA -0.239 3.931 4.170 -0.000 0.000 0.243 825 I C 2.379 178.366 176.117 -0.216 0.000 1.085 825 I CA 1.429 62.395 61.300 -0.556 0.000 1.347 825 I CB -0.339 37.190 38.000 -0.785 0.000 1.044 825 I HN 0.340 nan 8.210 nan 0.000 0.408 826 A N -0.354 122.389 122.820 -0.128 0.000 2.239 826 A HA -0.149 4.171 4.320 -0.000 0.000 0.209 826 A C 1.663 179.209 177.584 -0.064 0.000 1.171 826 A CA 1.234 53.231 52.037 -0.067 0.000 0.768 826 A CB -0.445 18.488 19.000 -0.112 0.000 0.790 826 A HN 0.386 nan 8.150 nan 0.000 0.478 827 D N -1.297 119.079 120.400 -0.040 0.000 2.327 827 D HA -0.046 4.594 4.640 -0.000 0.000 0.205 827 D C 1.872 178.213 176.300 0.068 0.000 0.989 827 D CA 0.774 54.766 54.000 -0.013 0.000 0.873 827 D CB 0.128 40.915 40.800 -0.021 0.000 0.955 827 D HN 0.680 nan 8.370 nan 0.000 0.515 828 Q N -0.588 119.311 119.800 0.165 0.000 2.226 828 Q HA 0.003 4.343 4.340 -0.000 0.000 0.199 828 Q C 0.766 176.892 176.000 0.210 0.000 0.945 828 Q CA 0.450 56.388 55.803 0.225 0.000 0.861 828 Q CB 0.276 29.248 28.738 0.390 0.000 0.953 828 Q HN 0.037 nan 8.270 nan 0.000 0.490 829 F N 0.214 120.162 119.950 -0.004 0.000 2.693 829 F HA 0.241 4.768 4.527 -0.000 0.000 0.303 829 F C 0.774 176.567 175.800 -0.012 0.000 1.143 829 F CA 0.351 58.352 58.000 0.001 0.000 1.389 829 F CB 0.259 39.260 39.000 0.000 0.000 1.060 829 F HN 0.082 nan 8.300 nan 0.000 0.535 830 L N -2.340 118.958 121.223 0.125 0.000 2.604 830 L HA 0.591 4.931 4.340 -0.000 0.000 0.150 830 L C 0.770 177.651 176.870 0.019 0.000 1.292 830 L CA 0.029 54.899 54.840 0.050 0.000 0.977 830 L CB 0.051 42.112 42.059 0.003 0.000 1.943 830 L HN -0.061 nan 8.230 nan 0.000 0.508 831 G N -0.153 108.649 108.800 0.004 0.000 2.356 831 G HA2 0.605 4.565 3.960 -0.000 0.000 0.294 831 G HA3 0.605 4.565 3.960 -0.000 0.000 0.294 831 G C -2.221 172.678 174.900 -0.001 0.000 1.423 831 G CA 0.096 45.202 45.100 0.008 0.000 0.806 831 G HN 0.291 nan 8.290 nan 0.000 0.527 832 A N 0.071 122.907 122.820 0.026 0.000 2.330 832 A HA 0.752 5.072 4.320 -0.000 0.000 0.327 832 A C -0.091 177.512 177.584 0.032 0.000 1.155 832 A CA -0.584 51.473 52.037 0.034 0.000 0.803 832 A CB 1.155 20.189 19.000 0.057 0.000 1.208 832 A HN 0.647 nan 8.150 nan 0.000 0.477 833 M N 2.887 122.496 119.600 0.015 0.000 2.246 833 M HA 0.311 4.791 4.480 -0.000 0.000 0.350 833 M C -0.114 176.127 176.300 -0.099 0.000 1.406 833 M CA 0.475 55.731 55.300 -0.073 0.000 1.089 833 M CB -0.628 32.001 32.600 0.048 0.000 1.782 833 M HN 0.678 nan 8.290 nan 0.000 0.457 834 Y N 0.574 120.795 120.300 -0.132 0.000 2.782 834 Y HA 0.988 5.538 4.550 -0.000 0.000 0.329 834 Y C -0.095 175.551 175.900 -0.424 0.000 1.192 834 Y CA -1.265 56.702 58.100 -0.222 0.000 1.216 834 Y CB 0.502 38.882 38.460 -0.134 0.000 1.447 834 Y HN 0.582 nan 8.280 nan 0.000 0.616 835 T N 0.000 114.600 114.554 0.077 0.000 3.816 835 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 835 T CA 0.000 62.024 62.100 -0.127 0.000 1.349 835 T CB 0.000 68.565 68.868 -0.505 0.000 0.612 835 T HN 0.000 nan 8.240 nan 0.000 0.658