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 2ejr_1_A DATA FIRST_RESID 172 DATA SEQUENCE SGVEGAAFQS RLPHDRMTSQ EAACFPDIIS GPQQTQKVFL FIRNRTLQLW DATA SEQUENCE LDNPKIQLTF EATLQQLEAP YNSDTVLVHR VHSYLERHGL INFGIYKRIK DATA SEQUENCE PLPTKKTGKV IIIGSGVSGL AAARQLQSFG MDVTLLEARD RVGGRVATFR DATA SEQUENCE KGNYVADLGA MVVTGLGGNP MAVVSKQVNM ELAKIKQKCP LYEANGQAVP DATA SEQUENCE KEKDEMVEQE FNRLLEATSY LSHQLDFNVL NNKPVSLGQA LEVVIQLQEK DATA SEQUENCE HVKDEQIEHW KKIVKTQEEL KELLNKMVNL KEKIKELHQQ YKEXXXXXXX DATA SEQUENCE XDITAEFLVK SKHRDLTALC KEYDELAETQ GKLEEKLQEL EANPPSDVYL DATA SEQUENCE SSRDRQILDW HFANLEFANA TPLSTLSLKH WDQDDDFEFT GSHLTVRNGY DATA SEQUENCE SCVPVALAEG LDIKLNTAVR QVRYTASGCE VIAVNTRSTS QTFIYKCDAV DATA SEQUENCE LCTLPLGVLK QQPPAVQFVP PLPEWKTSAV QRMGFGNLNK VVLCFDRVFW DATA SEQUENCE DPSVNLFGHV GSTTASRGEL FLFWNLYKAP ILLALVAGEA AGIMENISDD DATA SEQUENCE VIVGRCLAIL KGIFGSSAVP QPKETVVSRW RADPWARGSY SYVAAGSSGN DATA SEQUENCE DYDLMAQPIT PXXXXXXXXX PIPRLFFAGE HTIRNYPATV HGALLSGLRE DATA SEQUENCE AGRIADQFLG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 172 S HA 0.000 nan 4.470 nan 0.000 0.327 172 S C 0.000 174.588 174.600 -0.021 0.000 1.055 172 S CA 0.000 58.183 58.200 -0.028 0.000 1.107 172 S CB 0.000 63.149 63.200 -0.085 0.000 0.593 173 G N 1.670 110.473 108.800 0.005 0.000 2.425 173 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.213 173 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.213 173 G C 1.421 176.319 174.900 -0.003 0.000 1.201 173 G CA 1.008 46.108 45.100 0.001 0.000 0.799 173 G HN 1.385 nan 8.290 nan 0.000 0.534 174 V N -0.888 119.027 119.914 0.001 0.000 2.594 174 V HA -0.045 4.074 4.120 -0.001 0.000 0.253 174 V C 2.249 178.353 176.094 0.017 0.000 1.069 174 V CA 2.454 64.733 62.300 -0.035 0.000 1.082 174 V CB -0.494 31.277 31.823 -0.087 0.000 0.680 174 V HN 0.482 nan 8.190 nan 0.000 0.469 175 E N 1.447 121.659 120.200 0.021 0.000 2.046 175 E HA -0.050 4.299 4.350 -0.001 0.000 0.190 175 E C 2.286 178.890 176.600 0.006 0.000 0.982 175 E CA 1.252 57.635 56.400 -0.029 0.000 0.800 175 E CB -0.626 28.951 29.700 -0.205 0.000 0.756 175 E HN 0.631 nan 8.360 nan 0.000 0.449 176 G N 0.800 109.600 108.800 0.001 0.000 2.440 176 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.218 176 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.218 176 G C 1.625 176.598 174.900 0.121 0.000 1.154 176 G CA 1.047 46.178 45.100 0.052 0.000 0.767 176 G HN 0.416 nan 8.290 nan 0.000 0.552 177 A N 1.245 124.106 122.820 0.069 0.000 1.877 177 A HA 0.221 4.540 4.320 -0.001 0.000 0.216 177 A C 2.865 180.504 177.584 0.092 0.000 1.186 177 A CA 2.434 54.510 52.037 0.065 0.000 0.620 177 A CB -0.938 18.072 19.000 0.016 0.000 0.822 177 A HN 0.867 nan 8.150 nan 0.000 0.443 178 A N -1.131 121.752 122.820 0.106 0.000 1.883 178 A HA -0.108 4.212 4.320 -0.001 0.000 0.217 178 A C 2.075 179.746 177.584 0.145 0.000 1.186 178 A CA 1.778 53.890 52.037 0.126 0.000 0.624 178 A CB -0.819 18.294 19.000 0.188 0.000 0.822 178 A HN 0.682 nan 8.150 nan 0.000 0.444 179 F N 0.506 120.491 119.950 0.059 0.000 2.069 179 F HA -0.232 4.294 4.527 -0.001 0.000 0.298 179 F C 2.375 178.210 175.800 0.059 0.000 1.113 179 F CA 2.393 60.430 58.000 0.061 0.000 1.214 179 F CB -0.411 38.606 39.000 0.029 0.000 0.978 179 F HN 0.309 nan 8.300 nan 0.000 0.474 180 Q N 0.100 119.966 119.800 0.110 0.000 2.439 180 Q HA -0.090 4.249 4.340 -0.001 0.000 0.211 180 Q C 1.504 177.466 176.000 -0.063 0.000 0.978 180 Q CA 1.648 57.453 55.803 0.003 0.000 0.897 180 Q CB -0.419 28.370 28.738 0.085 0.000 0.956 180 Q HN 0.338 nan 8.270 nan 0.000 0.483 181 S N -0.446 115.235 115.700 -0.031 0.000 2.554 181 S HA 0.257 4.726 4.470 -0.001 0.000 0.226 181 S C -0.346 174.235 174.600 -0.031 0.000 0.980 181 S CA -0.128 58.066 58.200 -0.010 0.000 0.939 181 S CB 0.217 63.441 63.200 0.040 0.000 0.832 181 S HN 0.453 nan 8.310 nan 0.000 0.486 182 R N 0.428 120.875 120.500 -0.089 0.000 3.532 182 R HA -0.134 4.205 4.340 -0.001 0.000 0.284 182 R C -1.095 175.235 176.300 0.050 0.000 1.140 182 R CA 0.463 56.546 56.100 -0.029 0.000 0.768 182 R CB -2.279 28.083 30.300 0.103 0.000 1.252 182 R HN 0.341 nan 8.270 nan 0.000 0.454 183 L N 0.468 121.721 121.223 0.050 0.000 2.370 183 L HA 0.612 4.951 4.340 -0.001 0.000 0.266 183 L C -2.048 174.901 176.870 0.131 0.000 1.002 183 L CA -2.499 52.397 54.840 0.093 0.000 0.818 183 L CB 1.891 44.001 42.059 0.084 0.000 1.325 183 L HN -0.216 nan 8.230 nan 0.000 0.418 184 P HA 0.047 nan 4.420 nan 0.000 0.276 184 P C 0.059 177.435 177.300 0.126 0.000 1.253 184 P CA -0.088 63.102 63.100 0.150 0.000 0.766 184 P CB 0.457 32.211 31.700 0.090 0.000 0.845 185 H N 3.272 122.396 119.070 0.090 0.000 2.545 185 H HA -0.077 4.478 4.556 -0.001 0.000 0.282 185 H C 0.202 175.570 175.328 0.067 0.000 1.020 185 H CA 1.159 57.250 56.048 0.071 0.000 1.243 185 H CB -0.304 29.505 29.762 0.077 0.000 1.377 185 H HN 0.360 nan 8.280 nan 0.000 0.581 186 D N 0.044 120.087 120.400 -0.595 0.000 2.535 186 D HA 0.092 4.731 4.640 -0.001 0.000 0.229 186 D C 0.402 176.607 176.300 -0.158 0.000 1.238 186 D CA -0.498 53.239 54.000 -0.438 0.000 0.824 186 D CB 0.406 40.850 40.800 -0.593 0.000 1.045 186 D HN 0.603 nan 8.370 nan 0.000 0.500 187 R N -0.967 119.486 120.500 -0.080 0.000 2.663 187 R HA 0.522 4.861 4.340 -0.001 0.000 0.267 187 R C -0.971 175.335 176.300 0.010 0.000 1.038 187 R CA -0.890 55.194 56.100 -0.026 0.000 0.886 187 R CB 0.965 31.250 30.300 -0.024 0.000 1.249 187 R HN -0.174 nan 8.270 nan 0.000 0.463 188 M N 1.983 121.585 119.600 0.004 0.000 2.241 188 M HA 0.215 4.695 4.480 -0.001 0.000 0.335 188 M C 0.449 176.754 176.300 0.008 0.000 1.122 188 M CA -0.185 55.118 55.300 0.006 0.000 1.164 188 M CB 1.493 34.032 32.600 -0.101 0.000 1.459 188 M HN 0.867 nan 8.290 nan 0.000 0.461 189 T N -1.944 112.627 114.554 0.028 0.000 2.881 189 T HA 0.245 4.594 4.350 -0.001 0.000 0.278 189 T C 1.176 175.890 174.700 0.022 0.000 0.982 189 T CA -0.385 61.740 62.100 0.042 0.000 0.989 189 T CB 1.071 69.987 68.868 0.079 0.000 1.058 189 T HN 0.772 nan 8.240 nan 0.000 0.529 190 S N 0.109 115.829 115.700 0.033 0.000 2.399 190 S HA -0.201 4.268 4.470 -0.001 0.000 0.231 190 S C 1.924 176.543 174.600 0.032 0.000 1.022 190 S CA 0.779 58.992 58.200 0.023 0.000 0.983 190 S CB -0.774 62.443 63.200 0.028 0.000 0.803 190 S HN 0.722 nan 8.310 nan 0.000 0.480 191 Q N 1.188 121.026 119.800 0.064 0.000 2.002 191 Q HA -0.169 4.170 4.340 -0.001 0.000 0.204 191 Q C 2.353 178.382 176.000 0.049 0.000 0.988 191 Q CA 1.971 57.833 55.803 0.097 0.000 0.843 191 Q CB -0.328 28.511 28.738 0.168 0.000 0.908 191 Q HN 0.771 nan 8.270 nan 0.000 0.420 192 E N 0.401 120.595 120.200 -0.011 0.000 2.118 192 E HA -0.194 4.155 4.350 -0.001 0.000 0.195 192 E C 1.891 178.453 176.600 -0.063 0.000 0.992 192 E CA 0.932 57.253 56.400 -0.131 0.000 0.804 192 E CB -0.159 29.444 29.700 -0.163 0.000 0.741 192 E HN 0.336 nan 8.360 nan 0.000 0.458 193 A N 1.611 124.387 122.820 -0.074 0.000 1.902 193 A HA -0.121 4.198 4.320 -0.001 0.000 0.217 193 A C 2.425 179.988 177.584 -0.035 0.000 1.181 193 A CA 1.684 53.676 52.037 -0.074 0.000 0.623 193 A CB -0.654 18.311 19.000 -0.057 0.000 0.818 193 A HN 0.300 nan 8.150 nan 0.000 0.443 194 A N -1.118 121.696 122.820 -0.011 0.000 1.902 194 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 194 A C 2.232 179.795 177.584 -0.035 0.000 1.181 194 A CA 1.766 53.798 52.037 -0.008 0.000 0.623 194 A CB -1.147 17.867 19.000 0.024 0.000 0.818 194 A HN 0.615 nan 8.150 nan 0.000 0.443 195 C N -2.335 116.943 119.300 -0.038 0.000 2.495 195 C HA 0.239 4.698 4.460 -0.001 0.000 0.275 195 C C 0.451 175.130 174.990 -0.519 0.000 1.392 195 C CA -0.056 58.837 59.018 -0.209 0.000 1.766 195 C CB -1.337 26.296 27.740 -0.178 0.000 1.933 195 C HN 0.491 nan 8.230 nan 0.000 0.519 196 F N 0.923 120.742 119.950 -0.218 0.000 2.577 196 F HA 0.287 4.813 4.527 -0.001 0.000 0.342 196 F C -1.325 174.343 175.800 -0.220 0.000 1.479 196 F CA -2.307 55.550 58.000 -0.238 0.000 1.110 196 F CB -0.079 38.659 39.000 -0.436 0.000 1.306 196 F HN 0.024 nan 8.300 nan 0.000 0.554 197 P HA -0.200 nan 4.420 nan 0.000 0.219 197 P C 1.063 178.339 177.300 -0.041 0.000 1.146 197 P CA 1.626 64.697 63.100 -0.048 0.000 0.808 197 P CB 0.209 31.879 31.700 -0.049 0.000 0.779 198 D N -0.321 120.062 120.400 -0.028 0.000 2.269 198 D HA -0.102 4.537 4.640 -0.001 0.000 0.208 198 D C 1.741 178.031 176.300 -0.017 0.000 0.963 198 D CA 0.702 54.694 54.000 -0.015 0.000 0.864 198 D CB -0.582 40.219 40.800 0.001 0.000 0.936 198 D HN 0.194 nan 8.370 nan 0.000 0.505 199 I N 0.266 120.812 120.570 -0.039 0.000 2.494 199 I HA -0.029 4.140 4.170 -0.001 0.000 0.250 199 I C 2.355 178.398 176.117 -0.122 0.000 1.112 199 I CA 0.145 61.390 61.300 -0.091 0.000 1.438 199 I CB -0.208 37.651 38.000 -0.235 0.000 1.111 199 I HN -0.083 nan 8.210 nan 0.000 0.431 200 I N 0.329 120.815 120.570 -0.140 0.000 2.179 200 I HA -0.171 3.998 4.170 -0.001 0.000 0.242 200 I C 1.516 177.592 176.117 -0.068 0.000 1.088 200 I CA 1.190 62.419 61.300 -0.119 0.000 1.357 200 I CB -0.157 37.776 38.000 -0.111 0.000 1.051 200 I HN 0.239 nan 8.210 nan 0.000 0.409 201 S N 0.374 116.043 115.700 -0.052 0.000 3.158 201 S HA 0.750 5.219 4.470 -0.001 0.000 0.215 201 S C 0.013 174.598 174.600 -0.026 0.000 1.359 201 S CA -0.043 58.137 58.200 -0.034 0.000 0.974 201 S CB -0.257 62.925 63.200 -0.029 0.000 1.336 201 S HN 0.631 nan 8.310 nan 0.000 0.488 202 G N 1.637 110.423 108.800 -0.023 0.000 2.430 202 G HA2 0.533 4.493 3.960 -0.001 0.000 0.300 202 G HA3 0.533 4.493 3.960 -0.001 0.000 0.300 202 G C -3.453 171.442 174.900 -0.008 0.000 1.330 202 G CA -1.090 44.003 45.100 -0.012 0.000 0.813 202 G HN 0.270 nan 8.290 nan 0.000 0.487 203 P HA 0.076 nan 4.420 nan 0.000 0.257 203 P C 0.666 177.970 177.300 0.008 0.000 1.162 203 P CA 0.345 63.450 63.100 0.007 0.000 0.762 203 P CB 0.799 32.508 31.700 0.016 0.000 0.753 204 Q N 3.291 123.095 119.800 0.006 0.000 2.364 204 Q HA -0.239 4.100 4.340 -0.001 0.000 0.207 204 Q C 1.721 177.736 176.000 0.025 0.000 0.970 204 Q CA 1.313 57.120 55.803 0.007 0.000 0.888 204 Q CB -0.452 28.289 28.738 0.004 0.000 0.951 204 Q HN 0.271 nan 8.270 nan 0.000 0.469 205 Q N 0.899 120.716 119.800 0.029 0.000 2.119 205 Q HA -0.070 4.269 4.340 -0.001 0.000 0.201 205 Q C 1.537 177.577 176.000 0.067 0.000 0.972 205 Q CA 2.366 58.194 55.803 0.042 0.000 0.847 205 Q CB -0.718 28.039 28.738 0.032 0.000 0.903 205 Q HN 0.496 nan 8.270 nan 0.000 0.433 206 T N 0.656 115.247 114.554 0.062 0.000 2.995 206 T HA -0.076 4.274 4.350 -0.001 0.000 0.269 206 T C 1.496 176.263 174.700 0.113 0.000 1.091 206 T CA 1.177 63.331 62.100 0.090 0.000 1.128 206 T CB -0.036 68.874 68.868 0.071 0.000 0.891 206 T HN 0.425 nan 8.240 nan 0.000 0.492 207 Q N 0.726 120.568 119.800 0.070 0.000 2.083 207 Q HA -0.034 4.305 4.340 -0.001 0.000 0.198 207 Q C 2.342 178.430 176.000 0.146 0.000 0.969 207 Q CA 1.049 56.893 55.803 0.069 0.000 0.838 207 Q CB -0.155 28.583 28.738 -0.001 0.000 0.900 207 Q HN 0.256 nan 8.270 nan 0.000 0.436 208 K N 0.794 121.262 120.400 0.114 0.000 2.074 208 K HA -0.154 4.165 4.320 -0.001 0.000 0.209 208 K C 1.770 178.485 176.600 0.192 0.000 1.048 208 K CA 1.264 57.627 56.287 0.127 0.000 0.926 208 K CB -0.396 32.162 32.500 0.097 0.000 0.713 208 K HN 0.016 nan 8.250 nan 0.000 0.444 209 V N 0.686 120.732 119.914 0.221 0.000 2.427 209 V HA -0.166 3.953 4.120 -0.001 0.000 0.248 209 V C 2.014 178.252 176.094 0.239 0.000 1.051 209 V CA 1.826 64.306 62.300 0.301 0.000 1.048 209 V CB -0.636 31.369 31.823 0.305 0.000 0.666 209 V HN 0.363 nan 8.190 nan 0.000 0.456 210 F N 0.557 120.537 119.950 0.049 0.000 2.069 210 F HA -0.206 4.320 4.527 -0.001 0.000 0.298 210 F C 2.095 177.842 175.800 -0.088 0.000 1.113 210 F CA 1.848 59.812 58.000 -0.060 0.000 1.214 210 F CB -0.328 38.584 39.000 -0.147 0.000 0.978 210 F HN 0.017 nan 8.300 nan 0.000 0.474 211 L N -0.920 120.354 121.223 0.084 0.000 2.042 211 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 211 L C 2.474 179.279 176.870 -0.109 0.000 1.076 211 L CA 1.701 56.524 54.840 -0.029 0.000 0.749 211 L CB -0.938 41.170 42.059 0.083 0.000 0.893 211 L HN 0.262 nan 8.230 nan 0.000 0.432 212 F N 0.523 120.385 119.950 -0.146 0.000 2.146 212 F HA -0.225 4.301 4.527 -0.001 0.000 0.298 212 F C 2.372 177.985 175.800 -0.311 0.000 1.096 212 F CA 1.312 59.178 58.000 -0.224 0.000 1.275 212 F CB -0.028 38.786 39.000 -0.310 0.000 1.008 212 F HN -0.118 nan 8.300 nan 0.000 0.480 213 I N 0.678 121.051 120.570 -0.329 0.000 2.179 213 I HA -0.283 3.887 4.170 -0.001 0.000 0.242 213 I C 2.632 178.501 176.117 -0.414 0.000 1.088 213 I CA 1.404 62.491 61.300 -0.355 0.000 1.357 213 I CB -1.403 36.489 38.000 -0.179 0.000 1.051 213 I HN 0.217 nan 8.210 nan 0.000 0.409 214 R N 1.572 121.775 120.500 -0.496 0.000 2.080 214 R HA -0.193 4.146 4.340 -0.001 0.000 0.236 214 R C 1.849 177.971 176.300 -0.298 0.000 1.137 214 R CA 1.892 57.732 56.100 -0.433 0.000 0.943 214 R CB -0.463 29.480 30.300 -0.595 0.000 0.846 214 R HN 0.366 nan 8.270 nan 0.000 0.431 215 N N 0.752 119.270 118.700 -0.304 0.000 2.205 215 N HA -0.177 4.562 4.740 -0.001 0.000 0.186 215 N C 1.845 177.170 175.510 -0.309 0.000 1.015 215 N CA 1.117 54.028 53.050 -0.233 0.000 0.862 215 N CB -0.379 38.003 38.487 -0.174 0.000 0.986 215 N HN 0.171 nan 8.380 nan 0.000 0.429 216 R N 0.491 120.673 120.500 -0.531 0.000 2.093 216 R HA 0.109 4.448 4.340 -0.001 0.000 0.224 216 R C 1.771 177.928 176.300 -0.238 0.000 1.101 216 R CA 1.338 57.139 56.100 -0.500 0.000 0.979 216 R CB -0.741 29.067 30.300 -0.820 0.000 0.877 216 R HN 0.115 nan 8.270 nan 0.000 0.441 217 T N 0.880 115.320 114.554 -0.190 0.000 2.857 217 T HA -0.007 4.342 4.350 -0.001 0.000 0.266 217 T C 1.685 176.385 174.700 0.000 0.000 1.048 217 T CA 1.155 63.219 62.100 -0.059 0.000 1.139 217 T CB -0.102 68.742 68.868 -0.040 0.000 0.874 217 T HN 0.119 nan 8.240 nan 0.000 0.455 218 L N 0.871 122.080 121.223 -0.024 0.000 2.046 218 L HA -0.137 4.202 4.340 -0.001 0.000 0.208 218 L C 2.938 179.858 176.870 0.083 0.000 1.077 218 L CA 1.381 56.264 54.840 0.071 0.000 0.747 218 L CB -0.558 41.524 42.059 0.039 0.000 0.896 218 L HN 0.313 nan 8.230 nan 0.000 0.432 219 Q N 0.533 120.329 119.800 -0.006 0.000 2.050 219 Q HA -0.225 4.114 4.340 -0.001 0.000 0.202 219 Q C 2.401 178.389 176.000 -0.020 0.000 0.980 219 Q CA 1.625 57.414 55.803 -0.023 0.000 0.840 219 Q CB -0.107 28.594 28.738 -0.061 0.000 0.898 219 Q HN 0.480 nan 8.270 nan 0.000 0.424 220 L N 0.050 121.271 121.223 -0.003 0.000 2.013 220 L HA -0.239 4.100 4.340 -0.001 0.000 0.212 220 L C 2.496 179.379 176.870 0.022 0.000 1.073 220 L CA 1.758 56.604 54.840 0.010 0.000 0.753 220 L CB -0.839 41.242 42.059 0.036 0.000 0.890 220 L HN 0.592 nan 8.230 nan 0.000 0.432 221 W N 1.061 122.317 121.300 -0.074 0.000 2.379 221 W HA -0.180 4.480 4.660 -0.001 0.000 0.307 221 W C 2.020 178.479 176.519 -0.100 0.000 1.200 221 W CA 1.190 58.475 57.345 -0.099 0.000 1.297 221 W CB -0.257 29.137 29.460 -0.110 0.000 1.140 221 W HN 0.096 nan 8.180 nan 0.000 0.507 222 L N 1.052 122.067 121.223 -0.347 0.000 2.275 222 L HA -0.194 4.146 4.340 -0.001 0.000 0.215 222 L C 1.807 178.468 176.870 -0.349 0.000 1.119 222 L CA 1.251 55.840 54.840 -0.419 0.000 0.790 222 L CB -0.786 41.208 42.059 -0.107 0.000 0.919 222 L HN -0.167 nan 8.230 nan 0.000 0.443 223 D N -0.629 119.619 120.400 -0.253 0.000 2.323 223 D HA -0.051 4.588 4.640 -0.001 0.000 0.209 223 D C 0.656 176.818 176.300 -0.230 0.000 0.973 223 D CA 0.801 54.688 54.000 -0.189 0.000 0.874 223 D CB 0.015 40.747 40.800 -0.113 0.000 0.930 223 D HN 0.111 nan 8.370 nan 0.000 0.521 224 N N -0.190 118.309 118.700 -0.335 0.000 2.751 224 N HA 0.084 4.823 4.740 -0.001 0.000 0.234 224 N C -2.469 172.709 175.510 -0.554 0.000 1.403 224 N CA -1.195 51.661 53.050 -0.323 0.000 0.747 224 N CB 1.276 39.653 38.487 -0.184 0.000 1.326 224 N HN -0.173 nan 8.380 nan 0.000 0.532 225 P HA 0.032 nan 4.420 nan 0.000 0.242 225 P C 0.382 177.327 177.300 -0.591 0.000 1.197 225 P CA 0.477 62.800 63.100 -1.295 0.000 0.765 225 P CB 0.398 31.434 31.700 -1.107 0.000 0.936 226 K N -0.521 119.706 120.400 -0.288 0.000 2.426 226 K HA 0.200 4.519 4.320 -0.001 0.000 0.193 226 K C 0.962 177.606 176.600 0.073 0.000 1.028 226 K CA 0.126 56.377 56.287 -0.060 0.000 1.047 226 K CB 0.452 32.915 32.500 -0.061 0.000 0.821 226 K HN 0.256 nan 8.250 nan 0.000 0.513 227 I N 0.427 121.026 120.570 0.047 0.000 2.730 227 I HA 0.081 4.251 4.170 -0.001 0.000 0.298 227 I C -0.873 175.355 176.117 0.185 0.000 1.089 227 I CA -0.964 60.424 61.300 0.147 0.000 1.041 227 I CB 2.110 40.151 38.000 0.068 0.000 1.235 227 I HN -0.044 nan 8.210 nan 0.000 0.423 228 Q N 5.454 125.398 119.800 0.240 0.000 2.330 228 Q HA 0.136 4.475 4.340 -0.001 0.000 0.279 228 Q C -1.406 174.664 176.000 0.117 0.000 1.024 228 Q CA -0.192 55.657 55.803 0.076 0.000 0.900 228 Q CB 1.079 29.960 28.738 0.237 0.000 1.221 228 Q HN 0.606 nan 8.270 nan 0.000 0.396 229 L N 5.238 126.531 121.223 0.118 0.000 2.272 229 L HA 0.318 4.657 4.340 -0.001 0.000 0.284 229 L C -0.307 176.734 176.870 0.285 0.000 1.045 229 L CA -0.109 54.846 54.840 0.193 0.000 0.842 229 L CB 0.956 43.166 42.059 0.251 0.000 1.224 229 L HN 0.797 nan 8.230 nan 0.000 0.430 230 T N 0.668 115.341 114.554 0.199 0.000 2.726 230 T HA 0.095 4.444 4.350 -0.001 0.000 0.294 230 T C 0.970 175.611 174.700 -0.098 0.000 1.013 230 T CA -0.019 62.164 62.100 0.137 0.000 0.996 230 T CB 0.383 69.290 68.868 0.066 0.000 1.016 230 T HN 0.467 nan 8.240 nan 0.000 0.529 231 F N 0.549 120.140 119.950 -0.600 0.000 2.186 231 F HA 0.040 4.567 4.527 -0.001 0.000 0.299 231 F C 2.348 178.000 175.800 -0.246 0.000 1.090 231 F CA 1.661 59.191 58.000 -0.783 0.000 1.307 231 F CB -0.646 38.062 39.000 -0.487 0.000 1.019 231 F HN 0.898 nan 8.300 nan 0.000 0.489 232 E N 0.325 120.286 120.200 -0.397 0.000 2.051 232 E HA -0.189 4.160 4.350 -0.001 0.000 0.192 232 E C 2.236 178.693 176.600 -0.239 0.000 0.991 232 E CA 1.236 57.404 56.400 -0.388 0.000 0.799 232 E CB -0.413 29.188 29.700 -0.165 0.000 0.748 232 E HN 0.420 nan 8.360 nan 0.000 0.449 233 A N -0.023 122.727 122.820 -0.116 0.000 2.067 233 A HA -0.093 4.226 4.320 -0.001 0.000 0.219 233 A C 2.254 179.818 177.584 -0.034 0.000 1.158 233 A CA 1.632 53.641 52.037 -0.048 0.000 0.661 233 A CB -0.527 18.478 19.000 0.008 0.000 0.801 233 A HN 0.320 nan 8.150 nan 0.000 0.452 234 T N -0.116 114.414 114.554 -0.039 0.000 2.812 234 T HA -0.064 4.285 4.350 -0.001 0.000 0.264 234 T C 1.800 176.482 174.700 -0.029 0.000 1.042 234 T CA 1.314 63.426 62.100 0.020 0.000 1.140 234 T CB -0.276 68.674 68.868 0.137 0.000 0.870 234 T HN 0.296 nan 8.240 nan 0.000 0.445 235 L N 1.390 122.527 121.223 -0.144 0.000 2.046 235 L HA -0.051 4.288 4.340 -0.001 0.000 0.208 235 L C 2.288 179.119 176.870 -0.066 0.000 1.077 235 L CA 1.766 56.525 54.840 -0.136 0.000 0.747 235 L CB -0.584 41.272 42.059 -0.337 0.000 0.896 235 L HN 0.242 nan 8.230 nan 0.000 0.432 236 Q N -1.346 118.408 119.800 -0.078 0.000 2.472 236 Q HA -0.125 4.214 4.340 -0.001 0.000 0.208 236 Q C 1.658 177.657 176.000 -0.001 0.000 0.958 236 Q CA 0.800 56.582 55.803 -0.036 0.000 0.932 236 Q CB 0.100 28.812 28.738 -0.043 0.000 1.007 236 Q HN 0.663 nan 8.270 nan 0.000 0.508 237 Q N -0.529 119.277 119.800 0.009 0.000 2.317 237 Q HA 0.200 4.539 4.340 -0.001 0.000 0.220 237 Q C -0.027 176.008 176.000 0.059 0.000 0.873 237 Q CA -0.188 55.632 55.803 0.028 0.000 0.936 237 Q CB 0.841 29.591 28.738 0.020 0.000 1.105 237 Q HN 0.261 nan 8.270 nan 0.000 0.520 238 L N 2.746 124.015 121.223 0.076 0.000 2.439 238 L HA 0.074 4.413 4.340 -0.001 0.000 0.269 238 L C 0.656 177.635 176.870 0.183 0.000 1.179 238 L CA -0.346 54.581 54.840 0.146 0.000 0.828 238 L CB 0.467 42.631 42.059 0.174 0.000 1.106 238 L HN 0.185 nan 8.230 nan 0.000 0.467 239 E N 2.321 122.684 120.200 0.272 0.000 2.283 239 E HA 0.466 4.815 4.350 -0.001 0.000 0.267 239 E C -0.533 176.202 176.600 0.226 0.000 1.045 239 E CA -0.842 55.690 56.400 0.220 0.000 0.884 239 E CB 1.147 30.977 29.700 0.217 0.000 1.106 239 E HN 0.520 nan 8.360 nan 0.000 0.408 240 A N 2.308 125.180 122.820 0.087 0.000 2.425 240 A HA 0.253 4.572 4.320 -0.001 0.000 0.242 240 A C -1.301 176.181 177.584 -0.170 0.000 1.077 240 A CA -0.846 51.183 52.037 -0.013 0.000 0.781 240 A CB -0.263 18.722 19.000 -0.026 0.000 1.020 240 A HN 0.668 nan 8.150 nan 0.000 0.494 241 P HA 0.015 nan 4.420 nan 0.000 0.255 241 P C 0.242 177.424 177.300 -0.198 0.000 1.248 241 P CA 0.609 63.544 63.100 -0.276 0.000 0.807 241 P CB 0.013 31.534 31.700 -0.299 0.000 1.150 242 Y N 2.598 122.937 120.300 0.064 0.000 2.224 242 Y HA -0.183 4.367 4.550 -0.001 0.000 0.289 242 Y C 2.221 178.181 175.900 0.099 0.000 1.146 242 Y CA 1.855 60.022 58.100 0.110 0.000 1.182 242 Y CB -1.963 36.613 38.460 0.192 0.000 0.983 242 Y HN 0.212 nan 8.280 nan 0.000 0.524 243 N N -1.206 117.631 118.700 0.227 0.000 2.609 243 N HA -0.092 4.647 4.740 -0.001 0.000 0.190 243 N C 1.336 176.901 175.510 0.092 0.000 1.157 243 N CA 0.814 53.946 53.050 0.136 0.000 0.918 243 N CB -0.179 38.364 38.487 0.094 0.000 0.978 243 N HN 0.072 nan 8.380 nan 0.000 0.448 244 S N -0.021 115.731 115.700 0.087 0.000 2.470 244 S HA -0.033 4.436 4.470 -0.001 0.000 0.222 244 S C 0.368 175.021 174.600 0.088 0.000 1.024 244 S CA 0.008 58.245 58.200 0.062 0.000 0.931 244 S CB 0.089 63.305 63.200 0.027 0.000 0.791 244 S HN 0.302 nan 8.310 nan 0.000 0.513 245 D N 2.047 122.521 120.400 0.125 0.000 2.619 245 D HA 0.196 4.835 4.640 -0.001 0.000 0.224 245 D C 0.803 177.216 176.300 0.188 0.000 1.133 245 D CA 0.101 54.189 54.000 0.147 0.000 1.017 245 D CB 0.295 41.196 40.800 0.168 0.000 1.077 245 D HN 0.084 nan 8.370 nan 0.000 0.503 246 T N 0.336 114.995 114.554 0.174 0.000 2.653 246 T HA -0.154 4.195 4.350 -0.001 0.000 0.268 246 T C 2.064 176.953 174.700 0.316 0.000 1.035 246 T CA 1.097 63.343 62.100 0.244 0.000 1.154 246 T CB 0.183 69.164 68.868 0.189 0.000 0.862 246 T HN 0.220 nan 8.240 nan 0.000 0.441 247 V N 1.310 121.349 119.914 0.208 0.000 2.307 247 V HA -0.089 4.030 4.120 -0.001 0.000 0.245 247 V C 2.423 178.653 176.094 0.227 0.000 1.045 247 V CA 1.319 63.723 62.300 0.174 0.000 1.024 247 V CB -0.629 31.260 31.823 0.109 0.000 0.651 247 V HN 0.434 nan 8.190 nan 0.000 0.449 248 L N -0.117 121.246 121.223 0.233 0.000 2.017 248 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 248 L C 2.508 179.547 176.870 0.281 0.000 1.073 248 L CA 1.817 56.817 54.840 0.267 0.000 0.745 248 L CB -0.246 41.960 42.059 0.246 0.000 0.894 248 L HN 0.211 nan 8.230 nan 0.000 0.432 249 V N -0.381 119.711 119.914 0.297 0.000 2.252 249 V HA -0.388 3.731 4.120 -0.001 0.000 0.249 249 V C 2.587 178.909 176.094 0.379 0.000 1.056 249 V CA 2.251 64.748 62.300 0.329 0.000 1.022 249 V CB -1.073 30.974 31.823 0.373 0.000 0.641 249 V HN 0.605 nan 8.190 nan 0.000 0.445 250 H N 0.712 119.939 119.070 0.261 0.000 2.352 250 H HA -0.152 4.403 4.556 -0.001 0.000 0.299 250 H C 2.576 177.871 175.328 -0.054 0.000 1.097 250 H CA 2.130 57.987 56.048 -0.318 0.000 1.311 250 H CB 0.055 29.340 29.762 -0.795 0.000 1.377 250 H HN 0.355 nan 8.280 nan 0.000 0.504 251 R N -0.242 120.383 120.500 0.209 0.000 2.120 251 R HA -0.072 4.267 4.340 -0.001 0.000 0.234 251 R C 2.572 179.125 176.300 0.421 0.000 1.123 251 R CA 1.199 57.468 56.100 0.282 0.000 0.975 251 R CB 0.076 30.605 30.300 0.383 0.000 0.866 251 R HN 0.168 nan 8.270 nan 0.000 0.446 252 V N -0.018 120.098 119.914 0.336 0.000 2.407 252 V HA -0.202 3.917 4.120 -0.001 0.000 0.245 252 V C 2.342 178.545 176.094 0.183 0.000 1.041 252 V CA 1.500 63.928 62.300 0.214 0.000 1.040 252 V CB -0.673 31.089 31.823 -0.102 0.000 0.671 252 V HN 0.412 nan 8.190 nan 0.000 0.455 253 H N 0.608 119.701 119.070 0.038 0.000 2.352 253 H HA -0.138 4.418 4.556 -0.001 0.000 0.299 253 H C 2.400 177.684 175.328 -0.074 0.000 1.097 253 H CA 2.106 58.149 56.048 -0.008 0.000 1.311 253 H CB 0.060 29.854 29.762 0.054 0.000 1.377 253 H HN 0.408 nan 8.280 nan 0.000 0.504 254 S N -0.057 115.641 115.700 -0.004 0.000 2.368 254 S HA -0.171 4.298 4.470 -0.001 0.000 0.224 254 S C 1.981 176.585 174.600 0.006 0.000 1.029 254 S CA 1.181 59.335 58.200 -0.077 0.000 0.988 254 S CB -0.688 62.394 63.200 -0.197 0.000 0.838 254 S HN 0.598 nan 8.310 nan 0.000 0.462 255 Y N 2.278 122.607 120.300 0.048 0.000 2.128 255 Y HA -0.153 4.396 4.550 -0.001 0.000 0.284 255 Y C 1.897 177.843 175.900 0.078 0.000 1.154 255 Y CA 1.456 59.636 58.100 0.135 0.000 1.149 255 Y CB -0.354 38.303 38.460 0.329 0.000 0.976 255 Y HN 0.132 nan 8.280 nan 0.000 0.505 256 L N 0.100 121.241 121.223 -0.136 0.000 2.056 256 L HA -0.188 4.151 4.340 -0.001 0.000 0.207 256 L C 2.590 179.296 176.870 -0.274 0.000 1.078 256 L CA 1.875 56.554 54.840 -0.267 0.000 0.749 256 L CB -0.624 41.324 42.059 -0.185 0.000 0.901 256 L HN 0.327 nan 8.230 nan 0.000 0.433 257 E N 0.311 120.343 120.200 -0.280 0.000 2.047 257 E HA -0.282 4.067 4.350 -0.001 0.000 0.191 257 E C 2.299 178.844 176.600 -0.091 0.000 0.987 257 E CA 0.968 57.235 56.400 -0.223 0.000 0.799 257 E CB 0.093 29.656 29.700 -0.228 0.000 0.752 257 E HN 0.115 nan 8.360 nan 0.000 0.449 258 R N 0.616 121.015 120.500 -0.169 0.000 2.103 258 R HA -0.149 4.191 4.340 -0.001 0.000 0.242 258 R C 1.521 177.728 176.300 -0.155 0.000 1.142 258 R CA 1.972 57.916 56.100 -0.260 0.000 0.960 258 R CB -0.675 29.485 30.300 -0.233 0.000 0.858 258 R HN 0.427 nan 8.270 nan 0.000 0.439 259 H N -1.250 117.665 119.070 -0.257 0.000 2.536 259 H HA 0.206 4.761 4.556 -0.001 0.000 0.276 259 H C 0.526 175.731 175.328 -0.205 0.000 1.019 259 H CA 0.410 56.312 56.048 -0.243 0.000 1.159 259 H CB 0.202 29.705 29.762 -0.433 0.000 1.373 259 H HN 0.509 nan 8.280 nan 0.000 0.584 260 G N 1.574 110.334 108.800 -0.068 0.000 2.198 260 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.260 260 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.260 260 G C 0.909 175.640 174.900 -0.280 0.000 1.025 260 G CA 0.353 45.369 45.100 -0.139 0.000 0.769 260 G HN 0.431 nan 8.290 nan 0.000 0.507 261 L N -0.789 120.303 121.223 -0.217 0.000 2.477 261 L HA 0.402 4.741 4.340 -0.001 0.000 0.220 261 L C 1.488 178.276 176.870 -0.136 0.000 1.106 261 L CA 0.874 55.611 54.840 -0.171 0.000 0.851 261 L CB -0.026 41.952 42.059 -0.135 0.000 0.994 261 L HN 0.603 nan 8.230 nan 0.000 0.462 262 I N -5.829 114.493 120.570 -0.413 0.000 2.969 262 I HA 0.459 4.628 4.170 -0.001 0.000 0.307 262 I C -0.773 174.586 176.117 -1.262 0.000 1.149 262 I CA -1.011 59.568 61.300 -1.202 0.000 1.008 262 I CB 1.798 39.349 38.000 -0.748 0.000 1.232 262 I HN -0.147 nan 8.210 nan 0.000 0.435 263 N N 2.393 119.641 118.700 -2.418 0.000 2.727 263 N HA -0.216 4.523 4.740 -0.001 0.000 0.251 263 N C -1.169 173.986 175.510 -0.591 0.000 1.040 263 N CA 1.477 53.553 53.050 -1.623 0.000 0.712 263 N CB -1.315 36.710 38.487 -0.770 0.000 0.912 263 N HN 0.751 nan 8.380 nan 0.000 0.545 264 F N -2.998 116.657 119.950 -0.492 0.000 2.593 264 F HA 0.871 5.397 4.527 -0.002 0.000 0.320 264 F C 1.066 177.057 175.800 0.319 0.000 1.060 264 F CA 0.058 58.073 58.000 0.025 0.000 0.940 264 F CB 1.260 40.216 39.000 -0.074 0.000 1.268 264 F HN 0.237 nan 8.300 nan 0.000 0.475 265 G N 1.616 110.632 108.800 0.359 0.000 2.520 265 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.248 265 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.248 265 G C -1.130 173.841 174.900 0.119 0.000 1.161 265 G CA -0.215 45.016 45.100 0.219 0.000 0.946 265 G HN 1.043 nan 8.290 nan 0.000 0.565 266 I N 1.528 122.162 120.570 0.107 0.000 2.439 266 I HA 0.681 4.850 4.170 -0.001 0.000 0.285 266 I C -0.344 175.821 176.117 0.081 0.000 1.021 266 I CA -0.867 60.417 61.300 -0.028 0.000 1.091 266 I CB 1.582 39.568 38.000 -0.024 0.000 1.242 266 I HN 0.796 nan 8.210 nan 0.000 0.439 267 Y N 3.029 123.359 120.300 0.049 0.000 2.638 267 Y HA 0.549 5.098 4.550 -0.001 0.000 0.335 267 Y C -1.019 174.911 175.900 0.051 0.000 1.155 267 Y CA -1.539 56.599 58.100 0.063 0.000 1.046 267 Y CB 0.934 39.496 38.460 0.171 0.000 1.303 267 Y HN 0.222 nan 8.280 nan 0.000 0.460 268 K N 2.568 123.099 120.400 0.218 0.000 2.368 268 K HA 0.258 4.577 4.320 -0.001 0.000 0.282 268 K C -0.456 176.290 176.600 0.245 0.000 1.035 268 K CA -0.316 56.054 56.287 0.138 0.000 0.973 268 K CB 0.741 33.303 32.500 0.104 0.000 0.957 268 K HN 0.718 nan 8.250 nan 0.000 0.474 269 R N 3.067 123.652 120.500 0.141 0.000 2.357 269 R HA 0.120 4.459 4.340 -0.001 0.000 0.296 269 R C 1.517 177.896 176.300 0.132 0.000 1.052 269 R CA -0.282 55.928 56.100 0.182 0.000 0.988 269 R CB 0.596 30.960 30.300 0.106 0.000 1.025 269 R HN 0.592 nan 8.270 nan 0.000 0.469 270 I N -0.820 119.833 120.570 0.139 0.000 3.265 270 I HA 0.111 4.280 4.170 -0.001 0.000 0.282 270 I C 0.071 176.239 176.117 0.085 0.000 1.207 270 I CA 0.916 62.274 61.300 0.096 0.000 1.449 270 I CB -0.066 37.987 38.000 0.088 0.000 1.121 270 I HN 0.353 nan 8.210 nan 0.000 0.442 271 K N 3.417 123.879 120.400 0.103 0.000 2.319 271 K HA 0.426 4.745 4.320 -0.001 0.000 0.237 271 K C -2.319 174.332 176.600 0.084 0.000 1.113 271 K CA -1.797 54.544 56.287 0.091 0.000 1.072 271 K CB 0.363 32.926 32.500 0.105 0.000 1.734 271 K HN 0.105 nan 8.250 nan 0.000 0.429 272 P HA -0.142 nan 4.420 nan 0.000 0.263 272 P C -0.169 177.160 177.300 0.049 0.000 1.168 272 P CA 0.334 63.463 63.100 0.048 0.000 0.759 272 P CB 0.467 32.188 31.700 0.035 0.000 0.782 273 L N 5.410 126.658 121.223 0.041 0.000 2.514 273 L HA 0.074 4.414 4.340 -0.001 0.000 0.280 273 L C -1.194 175.697 176.870 0.035 0.000 1.223 273 L CA -1.275 53.589 54.840 0.041 0.000 0.864 273 L CB -0.495 41.578 42.059 0.024 0.000 1.118 273 L HN 0.355 nan 8.230 nan 0.000 0.494 274 P HA -0.003 nan 4.420 nan 0.000 0.276 274 P C 0.500 177.816 177.300 0.026 0.000 1.235 274 P CA -0.288 62.833 63.100 0.035 0.000 0.772 274 P CB 1.300 33.025 31.700 0.042 0.000 0.871 275 T N 1.771 116.338 114.554 0.022 0.000 2.737 275 T HA -0.138 4.211 4.350 -0.001 0.000 0.269 275 T C 0.941 175.651 174.700 0.017 0.000 1.040 275 T CA 1.022 63.132 62.100 0.016 0.000 1.142 275 T CB -0.438 68.439 68.868 0.015 0.000 0.861 275 T HN 0.457 nan 8.240 nan 0.000 0.456 276 K N 2.661 123.074 120.400 0.021 0.000 2.292 276 K HA 0.240 4.559 4.320 -0.001 0.000 0.290 276 K C -0.825 175.790 176.600 0.025 0.000 1.083 276 K CA -0.114 56.186 56.287 0.022 0.000 0.918 276 K CB 0.530 33.044 32.500 0.023 0.000 1.089 276 K HN 0.342 nan 8.250 nan 0.000 0.473 277 K N 2.399 122.812 120.400 0.021 0.000 2.234 277 K HA 0.197 4.516 4.320 -0.001 0.000 0.277 277 K C -0.577 176.038 176.600 0.026 0.000 1.038 277 K CA -0.422 55.878 56.287 0.021 0.000 0.888 277 K CB 1.283 33.788 32.500 0.009 0.000 1.091 277 K HN 0.455 nan 8.250 nan 0.000 0.467 278 T N 1.884 116.459 114.554 0.035 0.000 2.767 278 T HA 0.444 4.793 4.350 -0.001 0.000 0.288 278 T C 0.144 174.872 174.700 0.047 0.000 0.963 278 T CA -0.320 61.807 62.100 0.046 0.000 1.019 278 T CB 1.238 70.140 68.868 0.056 0.000 0.923 278 T HN 0.855 nan 8.240 nan 0.000 0.468 279 G N 2.310 111.142 108.800 0.053 0.000 2.854 279 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.686 279 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.686 279 G C -0.768 174.111 174.900 -0.035 0.000 1.202 279 G CA -0.786 44.335 45.100 0.035 0.000 0.878 279 G HN 0.789 nan 8.290 nan 0.000 0.583 280 K N 0.723 121.086 120.400 -0.061 0.000 2.358 280 K HA 0.726 5.046 4.320 -0.001 0.000 0.260 280 K C -0.531 175.985 176.600 -0.140 0.000 0.956 280 K CA -0.573 55.670 56.287 -0.074 0.000 0.834 280 K CB 1.899 34.386 32.500 -0.022 0.000 1.102 280 K HN 1.518 nan 8.250 nan 0.000 0.431 281 V N 6.033 125.852 119.914 -0.158 0.000 2.604 281 V HA 0.598 4.717 4.120 -0.001 0.000 0.305 281 V C -1.246 174.760 176.094 -0.147 0.000 1.043 281 V CA -0.887 61.299 62.300 -0.191 0.000 0.888 281 V CB 1.404 33.064 31.823 -0.271 0.000 0.995 281 V HN 0.741 nan 8.190 nan 0.000 0.429 282 I N 7.230 127.723 120.570 -0.128 0.000 2.321 282 I HA 0.423 4.592 4.170 -0.001 0.000 0.291 282 I C -0.352 175.680 176.117 -0.141 0.000 0.998 282 I CA -0.273 60.941 61.300 -0.144 0.000 1.227 282 I CB 1.489 39.414 38.000 -0.125 0.000 1.368 282 I HN 0.527 nan 8.210 nan 0.000 0.466 283 I N 7.570 128.046 120.570 -0.157 0.000 2.312 283 I HA 0.292 4.461 4.170 -0.001 0.000 0.290 283 I C 0.384 176.420 176.117 -0.135 0.000 1.008 283 I CA -0.072 61.148 61.300 -0.133 0.000 1.226 283 I CB 0.847 38.771 38.000 -0.128 0.000 1.371 283 I HN 0.275 nan 8.210 nan 0.000 0.468 284 I N 6.593 127.101 120.570 -0.103 0.000 2.322 284 I HA 0.528 4.697 4.170 -0.001 0.000 0.292 284 I C 0.689 176.769 176.117 -0.062 0.000 1.060 284 I CA -0.092 61.155 61.300 -0.090 0.000 1.309 284 I CB 0.069 38.039 38.000 -0.049 0.000 1.415 284 I HN 0.799 nan 8.210 nan 0.000 0.492 285 G N 3.600 112.348 108.800 -0.087 0.000 3.233 285 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.686 285 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.686 285 G C -0.193 174.666 174.900 -0.067 0.000 1.153 285 G CA -0.594 44.469 45.100 -0.061 0.000 0.853 285 G HN 0.535 nan 8.290 nan 0.000 0.582 286 S N 1.228 116.885 115.700 -0.073 0.000 2.506 286 S HA 0.558 5.027 4.470 -0.001 0.000 0.245 286 S C 1.340 175.917 174.600 -0.039 0.000 1.088 286 S CA 0.835 58.994 58.200 -0.068 0.000 1.099 286 S CB -0.643 62.505 63.200 -0.088 0.000 0.805 286 S HN 1.583 nan 8.310 nan 0.000 0.461 287 G N 0.232 109.020 108.800 -0.019 0.000 2.543 287 G HA2 0.374 4.333 3.960 -0.001 0.000 0.290 287 G HA3 0.374 4.333 3.960 -0.001 0.000 0.290 287 G C 1.095 175.983 174.900 -0.020 0.000 1.310 287 G CA -0.422 44.673 45.100 -0.007 0.000 1.025 287 G HN 0.212 nan 8.290 nan 0.000 0.502 288 V N 0.725 120.620 119.914 -0.030 0.000 2.324 288 V HA -0.248 3.871 4.120 -0.001 0.000 0.250 288 V C 3.312 179.393 176.094 -0.020 0.000 1.060 288 V CA 2.864 65.145 62.300 -0.031 0.000 1.042 288 V CB -0.770 31.021 31.823 -0.053 0.000 0.650 288 V HN 0.869 nan 8.190 nan 0.000 0.450 289 S N 0.754 116.447 115.700 -0.011 0.000 2.368 289 S HA -0.130 4.339 4.470 -0.001 0.000 0.225 289 S C 2.105 176.691 174.600 -0.024 0.000 1.030 289 S CA 1.551 59.745 58.200 -0.010 0.000 0.999 289 S CB -1.058 62.152 63.200 0.017 0.000 0.844 289 S HN 0.556 nan 8.310 nan 0.000 0.459 290 G N 1.791 110.577 108.800 -0.023 0.000 2.402 290 G HA2 0.011 3.970 3.960 -0.001 0.000 0.216 290 G HA3 0.011 3.970 3.960 -0.001 0.000 0.216 290 G C 1.498 176.360 174.900 -0.064 0.000 1.162 290 G CA 0.844 45.915 45.100 -0.047 0.000 0.777 290 G HN 0.501 nan 8.290 nan 0.000 0.539 291 L N 0.674 121.866 121.223 -0.053 0.000 2.056 291 L HA -0.013 4.326 4.340 -0.001 0.000 0.207 291 L C 3.405 180.241 176.870 -0.057 0.000 1.078 291 L CA 0.949 55.755 54.840 -0.057 0.000 0.749 291 L CB -0.398 41.636 42.059 -0.041 0.000 0.901 291 L HN 0.295 nan 8.230 nan 0.000 0.433 292 A N 0.169 122.965 122.820 -0.039 0.000 1.877 292 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 292 A C 2.543 180.079 177.584 -0.081 0.000 1.186 292 A CA 1.858 53.877 52.037 -0.030 0.000 0.620 292 A CB -0.805 18.188 19.000 -0.012 0.000 0.822 292 A HN 0.390 nan 8.150 nan 0.000 0.443 293 A N -0.176 122.586 122.820 -0.095 0.000 1.902 293 A HA 0.153 4.472 4.320 -0.001 0.000 0.217 293 A C 2.526 180.003 177.584 -0.178 0.000 1.181 293 A CA 2.223 54.177 52.037 -0.137 0.000 0.623 293 A CB -1.138 17.793 19.000 -0.116 0.000 0.818 293 A HN 1.098 nan 8.150 nan 0.000 0.443 294 A N 0.109 122.841 122.820 -0.147 0.000 1.849 294 A HA -0.248 4.071 4.320 -0.001 0.000 0.217 294 A C 2.231 179.704 177.584 -0.184 0.000 1.202 294 A CA 1.831 53.774 52.037 -0.156 0.000 0.629 294 A CB -0.655 18.270 19.000 -0.126 0.000 0.834 294 A HN 0.553 nan 8.150 nan 0.000 0.447 295 R N -0.996 119.407 120.500 -0.163 0.000 2.117 295 R HA -0.166 4.173 4.340 -0.001 0.000 0.243 295 R C 2.476 178.614 176.300 -0.270 0.000 1.143 295 R CA 1.489 57.482 56.100 -0.177 0.000 0.968 295 R CB -0.337 29.887 30.300 -0.128 0.000 0.863 295 R HN 0.600 nan 8.270 nan 0.000 0.444 296 Q N 0.443 120.030 119.800 -0.355 0.000 1.965 296 Q HA -0.119 4.220 4.340 -0.001 0.000 0.200 296 Q C 2.245 177.593 176.000 -1.086 0.000 0.981 296 Q CA 1.113 56.486 55.803 -0.715 0.000 0.834 296 Q CB -0.456 27.915 28.738 -0.611 0.000 0.900 296 Q HN 0.189 nan 8.270 nan 0.000 0.426 297 L N 1.498 122.320 121.223 -0.669 0.000 2.051 297 L HA -0.236 4.103 4.340 -0.001 0.000 0.214 297 L C 2.484 179.206 176.870 -0.248 0.000 1.076 297 L CA 1.774 56.377 54.840 -0.395 0.000 0.758 297 L CB -1.184 40.736 42.059 -0.231 0.000 0.890 297 L HN 0.387 nan 8.230 nan 0.000 0.433 298 Q N -0.826 118.833 119.800 -0.234 0.000 2.050 298 Q HA -0.205 4.134 4.340 -0.001 0.000 0.202 298 Q C 2.302 178.249 176.000 -0.089 0.000 0.980 298 Q CA 2.214 57.937 55.803 -0.134 0.000 0.840 298 Q CB -0.013 28.647 28.738 -0.130 0.000 0.898 298 Q HN 0.644 nan 8.270 nan 0.000 0.424 299 S N -0.494 115.118 115.700 -0.146 0.000 2.442 299 S HA -0.091 4.379 4.470 -0.001 0.000 0.236 299 S C 1.291 176.016 174.600 0.208 0.000 1.007 299 S CA 0.591 58.789 58.200 -0.003 0.000 0.965 299 S CB -0.313 62.889 63.200 0.003 0.000 0.773 299 S HN 0.359 nan 8.310 nan 0.000 0.504 300 F N 2.213 122.157 119.950 -0.010 0.000 2.811 300 F HA 0.398 4.924 4.527 -0.002 0.000 0.301 300 F C 2.060 177.855 175.800 -0.007 0.000 1.151 300 F CA -0.885 57.108 58.000 -0.011 0.000 1.412 300 F CB -1.051 37.928 39.000 -0.035 0.000 1.113 300 F HN 0.422 nan 8.300 nan 0.000 0.579 301 G N 0.403 109.301 108.800 0.163 0.000 2.136 301 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.242 301 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.242 301 G C 0.361 175.297 174.900 0.060 0.000 0.989 301 G CA 0.022 45.176 45.100 0.090 0.000 0.682 301 G HN 0.269 nan 8.290 nan 0.000 0.522 302 M N 0.136 119.764 119.600 0.047 0.000 2.368 302 M HA 0.361 4.840 4.480 -0.001 0.000 0.311 302 M C -0.174 176.109 176.300 -0.027 0.000 1.168 302 M CA -0.629 54.675 55.300 0.008 0.000 1.044 302 M CB 0.845 33.437 32.600 -0.012 0.000 1.506 302 M HN 0.063 nan 8.290 nan 0.000 0.475 303 D N 2.032 122.410 120.400 -0.036 0.000 2.313 303 D HA 0.359 4.998 4.640 -0.001 0.000 0.239 303 D C -1.604 174.652 176.300 -0.073 0.000 1.142 303 D CA 0.039 54.014 54.000 -0.043 0.000 0.847 303 D CB 1.076 41.861 40.800 -0.025 0.000 1.082 303 D HN 0.380 nan 8.370 nan 0.000 0.480 304 V N 3.007 122.871 119.914 -0.083 0.000 2.577 304 V HA 0.618 4.737 4.120 -0.001 0.000 0.303 304 V C -0.940 175.086 176.094 -0.113 0.000 1.042 304 V CA -0.241 61.993 62.300 -0.110 0.000 0.872 304 V CB 2.093 33.837 31.823 -0.131 0.000 0.998 304 V HN 0.485 nan 8.190 nan 0.000 0.423 305 T N 7.613 122.085 114.554 -0.135 0.000 2.876 305 T HA 0.735 5.085 4.350 -0.001 0.000 0.289 305 T C -0.958 173.616 174.700 -0.209 0.000 1.014 305 T CA -0.326 61.674 62.100 -0.166 0.000 0.986 305 T CB 1.418 70.176 68.868 -0.184 0.000 1.021 305 T HN 0.612 nan 8.240 nan 0.000 0.458 306 L N 3.025 124.124 121.223 -0.207 0.000 2.307 306 L HA 0.562 4.902 4.340 -0.001 0.000 0.284 306 L C -0.535 176.178 176.870 -0.262 0.000 1.023 306 L CA -0.425 54.290 54.840 -0.208 0.000 0.810 306 L CB 1.122 43.087 42.059 -0.158 0.000 1.231 306 L HN 0.447 nan 8.230 nan 0.000 0.423 307 L N 2.913 123.967 121.223 -0.282 0.000 2.276 307 L HA 0.532 4.872 4.340 -0.001 0.000 0.286 307 L C -0.302 176.425 176.870 -0.238 0.000 1.024 307 L CA -0.484 54.170 54.840 -0.310 0.000 0.826 307 L CB 1.380 43.226 42.059 -0.356 0.000 1.211 307 L HN 0.531 nan 8.230 nan 0.000 0.422 308 E N 2.191 122.248 120.200 -0.238 0.000 2.165 308 E HA 0.486 4.835 4.350 -0.001 0.000 0.266 308 E C 0.354 176.752 176.600 -0.336 0.000 0.889 308 E CA -0.305 55.947 56.400 -0.246 0.000 0.756 308 E CB 2.060 31.645 29.700 -0.192 0.000 1.131 308 E HN 0.560 nan 8.360 nan 0.000 0.411 309 A N 5.357 127.869 122.820 -0.513 0.000 1.969 309 A HA -0.005 4.314 4.320 -0.001 0.000 0.218 309 A C 1.089 178.184 177.584 -0.814 0.000 1.169 309 A CA 0.859 52.377 52.037 -0.865 0.000 0.635 309 A CB -0.172 17.782 19.000 -1.743 0.000 0.810 309 A HN 0.602 nan 8.150 nan 0.000 0.445 310 R N 0.164 120.283 120.500 -0.634 0.000 2.652 310 R HA 0.225 4.564 4.340 -0.001 0.000 0.271 310 R C -0.134 176.067 176.300 -0.165 0.000 1.129 310 R CA 0.256 56.160 56.100 -0.328 0.000 1.200 310 R CB 0.138 30.346 30.300 -0.153 0.000 1.146 310 R HN 0.443 nan 8.270 nan 0.000 0.581 311 D N 0.432 120.793 120.400 -0.064 0.000 2.561 311 D HA 0.047 4.686 4.640 -0.001 0.000 0.232 311 D C -0.368 175.913 176.300 -0.031 0.000 1.198 311 D CA -0.324 53.651 54.000 -0.041 0.000 0.826 311 D CB -0.097 40.699 40.800 -0.006 0.000 0.992 311 D HN 0.486 nan 8.370 nan 0.000 0.490 312 R N -1.769 118.707 120.500 -0.041 0.000 2.709 312 R HA 0.515 4.854 4.340 -0.001 0.000 0.270 312 R C -0.919 175.364 176.300 -0.029 0.000 1.038 312 R CA -1.083 55.004 56.100 -0.021 0.000 0.872 312 R CB 0.704 31.010 30.300 0.011 0.000 1.259 312 R HN -0.106 nan 8.270 nan 0.000 0.473 313 V N -1.139 118.762 119.914 -0.021 0.000 3.262 313 V HA 0.864 4.984 4.120 -0.001 0.000 0.313 313 V C 1.037 177.133 176.094 0.005 0.000 1.070 313 V CA 0.542 62.828 62.300 -0.023 0.000 1.049 313 V CB 0.738 32.543 31.823 -0.030 0.000 1.157 313 V HN 1.280 nan 8.190 nan 0.000 0.454 314 G N -0.762 108.039 108.800 0.002 0.000 2.313 314 G HA2 0.084 4.043 3.960 -0.001 0.000 0.215 314 G HA3 0.084 4.043 3.960 -0.001 0.000 0.215 314 G C 1.710 176.628 174.900 0.031 0.000 1.023 314 G CA 0.811 45.918 45.100 0.012 0.000 0.626 314 G HN 2.663 nan 8.290 nan 0.000 0.503 315 G N 0.589 109.433 108.800 0.073 0.000 2.634 315 G HA2 -0.406 3.553 3.960 -0.001 0.000 0.318 315 G HA3 -0.406 3.553 3.960 -0.001 0.000 0.318 315 G C 0.871 175.885 174.900 0.191 0.000 1.207 315 G CA 1.443 46.622 45.100 0.131 0.000 0.987 315 G HN 1.242 nan 8.290 nan 0.000 0.547 316 R N -0.169 120.369 120.500 0.064 0.000 2.328 316 R HA 0.322 4.661 4.340 -0.001 0.000 0.206 316 R C 0.110 176.335 176.300 -0.125 0.000 0.990 316 R CA 0.216 56.234 56.100 -0.137 0.000 1.085 316 R CB 0.074 30.199 30.300 -0.290 0.000 0.998 316 R HN 0.185 nan 8.270 nan 0.000 0.484 317 V N 1.271 121.164 119.914 -0.035 0.000 2.313 317 V HA 0.483 4.602 4.120 -0.001 0.000 0.278 317 V C -0.461 175.680 176.094 0.078 0.000 1.017 317 V CA -0.638 61.615 62.300 -0.077 0.000 0.823 317 V CB 1.303 32.994 31.823 -0.221 0.000 1.010 317 V HN 0.130 nan 8.190 nan 0.000 0.443 318 A N 3.768 126.692 122.820 0.174 0.000 2.353 318 A HA 0.809 5.128 4.320 -0.001 0.000 0.299 318 A C -0.167 177.532 177.584 0.191 0.000 1.089 318 A CA -0.464 51.703 52.037 0.216 0.000 0.736 318 A CB 1.396 20.600 19.000 0.340 0.000 1.195 318 A HN 0.598 nan 8.150 nan 0.000 0.447 319 T N 2.300 116.944 114.554 0.149 0.000 2.792 319 T HA 0.471 4.820 4.350 -0.001 0.000 0.280 319 T C -0.644 174.138 174.700 0.137 0.000 0.990 319 T CA -0.152 62.030 62.100 0.136 0.000 0.960 319 T CB 0.659 69.588 68.868 0.102 0.000 0.939 319 T HN 0.507 nan 8.240 nan 0.000 0.439 320 F N 4.210 124.153 119.950 -0.012 0.000 2.438 320 F HA 0.523 5.049 4.527 -0.001 0.000 0.356 320 F C 0.311 176.094 175.800 -0.029 0.000 1.099 320 F CA -0.750 57.235 58.000 -0.025 0.000 1.185 320 F CB 0.326 39.295 39.000 -0.050 0.000 1.115 320 F HN 0.395 nan 8.300 nan 0.000 0.526 321 R N 5.964 126.071 120.500 -0.655 0.000 2.502 321 R HA 0.371 4.710 4.340 -0.001 0.000 0.298 321 R C -1.385 174.536 176.300 -0.631 0.000 1.018 321 R CA -0.999 54.781 56.100 -0.533 0.000 0.899 321 R CB 1.984 32.146 30.300 -0.231 0.000 1.181 321 R HN 0.625 nan 8.270 nan 0.000 0.444 322 K N 2.251 122.318 120.400 -0.555 0.000 2.619 322 K HA 0.357 4.676 4.320 -0.001 0.000 0.251 322 K C 0.157 176.691 176.600 -0.110 0.000 0.987 322 K CA 0.200 56.307 56.287 -0.300 0.000 0.844 322 K CB 1.550 33.878 32.500 -0.286 0.000 1.237 322 K HN 0.672 nan 8.250 nan 0.000 0.447 323 G N 3.843 112.582 108.800 -0.102 0.000 2.596 323 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.304 323 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.304 323 G C 0.185 174.984 174.900 -0.170 0.000 1.189 323 G CA 0.395 45.422 45.100 -0.122 0.000 0.986 323 G HN 0.695 nan 8.290 nan 0.000 0.548 324 N N 0.527 119.054 118.700 -0.290 0.000 2.230 324 N HA 0.205 4.944 4.740 -0.001 0.000 0.202 324 N C -0.313 175.071 175.510 -0.209 0.000 1.119 324 N CA 0.219 53.127 53.050 -0.236 0.000 0.851 324 N CB 0.311 38.658 38.487 -0.233 0.000 0.990 324 N HN 0.410 nan 8.380 nan 0.000 0.497 325 Y N 0.570 120.849 120.300 -0.035 0.000 2.316 325 Y HA 0.326 4.875 4.550 -0.001 0.000 0.331 325 Y C 0.523 176.343 175.900 -0.133 0.000 1.083 325 Y CA -0.634 57.455 58.100 -0.019 0.000 1.206 325 Y CB 1.061 39.561 38.460 0.066 0.000 1.195 325 Y HN -0.315 nan 8.280 nan 0.000 0.497 326 V N 2.873 122.789 119.914 0.003 0.000 2.577 326 V HA 0.875 4.994 4.120 -0.001 0.000 0.303 326 V C -0.675 175.026 176.094 -0.656 0.000 1.042 326 V CA -0.906 61.264 62.300 -0.217 0.000 0.872 326 V CB 1.540 33.277 31.823 -0.143 0.000 0.998 326 V HN 0.848 nan 8.190 nan 0.000 0.423 327 A N 3.258 125.845 122.820 -0.388 0.000 2.517 327 A HA 0.727 5.046 4.320 -0.001 0.000 0.297 327 A C -1.455 176.101 177.584 -0.048 0.000 1.050 327 A CA -0.640 51.117 52.037 -0.467 0.000 0.694 327 A CB 1.523 20.447 19.000 -0.128 0.000 1.277 327 A HN 0.653 nan 8.150 nan 0.000 0.400 328 D N 2.115 122.563 120.400 0.080 0.000 2.225 328 D HA 0.346 4.985 4.640 -0.001 0.000 0.248 328 D C 0.527 176.922 176.300 0.158 0.000 1.096 328 D CA -0.282 53.818 54.000 0.166 0.000 0.863 328 D CB 1.712 42.650 40.800 0.231 0.000 1.156 328 D HN 0.308 nan 8.370 nan 0.000 0.450 329 L N 1.681 123.028 121.223 0.206 0.000 2.554 329 L HA 0.221 4.560 4.340 -0.001 0.000 0.225 329 L C 1.366 178.523 176.870 0.478 0.000 1.104 329 L CA 0.561 55.562 54.840 0.268 0.000 0.866 329 L CB -0.275 41.909 42.059 0.209 0.000 1.047 329 L HN 0.360 nan 8.230 nan 0.000 0.468 330 G N -0.895 108.115 108.800 0.349 0.000 3.194 330 G HA2 0.528 4.487 3.960 -0.001 0.000 0.160 330 G HA3 0.528 4.487 3.960 -0.001 0.000 0.160 330 G C -0.275 174.648 174.900 0.037 0.000 1.267 330 G CA 0.190 45.368 45.100 0.131 0.000 0.962 330 G HN 0.186 nan 8.290 nan 0.000 0.612 331 A N -0.309 122.481 122.820 -0.051 0.000 2.555 331 A HA 0.449 4.769 4.320 -0.001 0.000 0.233 331 A C 0.869 178.586 177.584 0.221 0.000 1.060 331 A CA 1.374 53.416 52.037 0.009 0.000 0.759 331 A CB -0.208 18.703 19.000 -0.149 0.000 0.995 331 A HN 1.077 nan 8.150 nan 0.000 0.506 332 M N 0.300 120.047 119.600 0.245 0.000 2.054 332 M HA 0.325 4.804 4.480 -0.001 0.000 0.386 332 M C -0.848 175.524 176.300 0.120 0.000 0.824 332 M CA 0.019 55.447 55.300 0.214 0.000 1.140 332 M CB 0.190 32.794 32.600 0.006 0.000 2.218 332 M HN 0.191 nan 8.290 nan 0.000 0.752 333 V N 2.312 122.315 119.914 0.148 0.000 2.513 333 V HA 0.543 4.662 4.120 -0.001 0.000 0.299 333 V C -0.275 175.883 176.094 0.107 0.000 1.035 333 V CA -0.773 61.596 62.300 0.115 0.000 0.889 333 V CB 2.200 34.123 31.823 0.166 0.000 0.988 333 V HN 0.135 nan 8.190 nan 0.000 0.440 334 V N 3.678 123.607 119.914 0.025 0.000 2.394 334 V HA 0.265 4.384 4.120 -0.001 0.000 0.282 334 V C 1.049 177.135 176.094 -0.013 0.000 1.031 334 V CA -0.107 62.207 62.300 0.023 0.000 0.881 334 V CB 1.763 33.553 31.823 -0.055 0.000 0.982 334 V HN 1.042 nan 8.190 nan 0.000 0.451 335 T N 0.351 114.878 114.554 -0.045 0.000 3.393 335 T HA 0.450 4.799 4.350 -0.001 0.000 0.248 335 T C 0.631 175.380 174.700 0.080 0.000 0.992 335 T CA 0.246 62.164 62.100 -0.303 0.000 0.929 335 T CB -0.613 68.081 68.868 -0.290 0.000 1.065 335 T HN 1.712 nan 8.240 nan 0.000 0.597 336 G N 0.689 109.595 108.800 0.175 0.000 3.448 336 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.685 336 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.685 336 G C 0.148 175.119 174.900 0.119 0.000 1.151 336 G CA -0.443 44.803 45.100 0.244 0.000 1.023 336 G HN 0.369 nan 8.290 nan 0.000 0.499 337 L N 1.606 122.859 121.223 0.049 0.000 2.083 337 L HA 0.076 4.415 4.340 -0.001 0.000 0.209 337 L C 2.373 179.194 176.870 -0.082 0.000 1.083 337 L CA 1.322 56.131 54.840 -0.052 0.000 0.752 337 L CB -0.370 41.681 42.059 -0.013 0.000 0.899 337 L HN 0.774 nan 8.230 nan 0.000 0.433 338 G N -0.259 108.584 108.800 0.072 0.000 2.363 338 G HA2 0.326 4.285 3.960 -0.001 0.000 0.285 338 G HA3 0.326 4.285 3.960 -0.001 0.000 0.285 338 G C 1.019 175.943 174.900 0.039 0.000 1.084 338 G CA 0.434 45.654 45.100 0.200 0.000 1.216 338 G HN 0.513 nan 8.290 nan 0.000 0.429 339 G N 2.214 110.875 108.800 -0.230 0.000 2.213 339 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.226 339 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.226 339 G C 0.541 174.874 174.900 -0.945 0.000 0.992 339 G CA 0.070 44.894 45.100 -0.461 0.000 0.632 339 G HN 0.914 nan 8.290 nan 0.000 0.511 340 N N 1.896 119.814 118.700 -1.303 0.000 2.430 340 N HA 0.347 5.086 4.740 -0.001 0.000 0.265 340 N C -0.445 174.725 175.510 -0.567 0.000 1.100 340 N CA -1.594 50.525 53.050 -1.552 0.000 0.961 340 N CB 1.771 39.581 38.487 -1.129 0.000 1.075 340 N HN 0.146 nan 8.380 nan 0.000 0.478 341 P HA -0.117 nan 4.420 nan 0.000 0.222 341 P C 1.183 178.543 177.300 0.099 0.000 1.147 341 P CA 0.812 63.901 63.100 -0.018 0.000 0.790 341 P CB 0.267 31.927 31.700 -0.066 0.000 0.780 342 M N -0.403 119.204 119.600 0.011 0.000 2.446 342 M HA -0.015 4.465 4.480 -0.001 0.000 0.263 342 M C 2.115 178.428 176.300 0.021 0.000 1.066 342 M CA 0.662 56.007 55.300 0.075 0.000 1.087 342 M CB -1.842 30.819 32.600 0.101 0.000 1.406 342 M HN -0.056 nan 8.290 nan 0.000 0.459 343 A N -0.103 122.693 122.820 -0.040 0.000 1.898 343 A HA -0.052 4.267 4.320 -0.001 0.000 0.216 343 A C 2.423 179.988 177.584 -0.031 0.000 1.181 343 A CA 1.554 53.562 52.037 -0.048 0.000 0.620 343 A CB -0.721 18.232 19.000 -0.079 0.000 0.819 343 A HN 0.291 nan 8.150 nan 0.000 0.442 344 V N -0.460 119.457 119.914 0.005 0.000 2.270 344 V HA -0.194 3.925 4.120 -0.001 0.000 0.245 344 V C 2.530 178.598 176.094 -0.043 0.000 1.043 344 V CA 1.872 64.142 62.300 -0.050 0.000 1.014 344 V CB -0.900 30.912 31.823 -0.020 0.000 0.645 344 V HN 0.338 nan 8.190 nan 0.000 0.447 345 V N -0.044 119.902 119.914 0.053 0.000 2.407 345 V HA -0.260 3.859 4.120 -0.001 0.000 0.248 345 V C 2.703 178.819 176.094 0.036 0.000 1.055 345 V CA 2.250 64.591 62.300 0.068 0.000 1.049 345 V CB -0.718 31.194 31.823 0.149 0.000 0.662 345 V HN 0.619 nan 8.190 nan 0.000 0.455 346 S N -0.304 115.409 115.700 0.021 0.000 2.359 346 S HA -0.273 4.197 4.470 -0.001 0.000 0.224 346 S C 2.091 176.679 174.600 -0.019 0.000 1.035 346 S CA 1.954 60.154 58.200 -0.001 0.000 1.018 346 S CB -0.205 62.983 63.200 -0.021 0.000 0.876 346 S HN 0.640 nan 8.310 nan 0.000 0.448 347 K N 0.321 120.695 120.400 -0.044 0.000 2.097 347 K HA -0.067 4.252 4.320 -0.001 0.000 0.205 347 K C 2.569 179.134 176.600 -0.057 0.000 1.050 347 K CA 1.462 57.712 56.287 -0.063 0.000 0.938 347 K CB -0.206 32.230 32.500 -0.106 0.000 0.718 347 K HN 0.533 nan 8.250 nan 0.000 0.442 348 Q N 0.268 120.036 119.800 -0.053 0.000 2.124 348 Q HA -0.111 4.228 4.340 -0.001 0.000 0.202 348 Q C 1.940 177.936 176.000 -0.007 0.000 0.977 348 Q CA 1.619 57.403 55.803 -0.031 0.000 0.850 348 Q CB 0.041 28.773 28.738 -0.010 0.000 0.901 348 Q HN 0.289 nan 8.270 nan 0.000 0.429 349 V N -2.555 117.362 119.914 0.006 0.000 3.542 349 V HA 0.197 4.316 4.120 -0.001 0.000 0.296 349 V C -0.119 175.981 176.094 0.010 0.000 1.364 349 V CA 0.095 62.403 62.300 0.015 0.000 1.118 349 V CB -0.751 31.094 31.823 0.036 0.000 0.972 349 V HN 0.426 nan 8.190 nan 0.000 0.430 350 N N 1.431 120.130 118.700 -0.001 0.000 2.735 350 N HA -0.203 4.536 4.740 -0.001 0.000 0.248 350 N C 0.248 175.761 175.510 0.005 0.000 1.083 350 N CA 0.769 53.818 53.050 -0.002 0.000 0.703 350 N CB -0.820 37.666 38.487 -0.001 0.000 1.005 350 N HN 0.909 nan 8.380 nan 0.000 0.550 351 M N -0.144 119.460 119.600 0.006 0.000 2.188 351 M HA 0.212 4.692 4.480 -0.001 0.000 0.354 351 M C 0.187 176.484 176.300 -0.005 0.000 1.342 351 M CA 0.152 55.456 55.300 0.006 0.000 1.117 351 M CB 0.966 33.567 32.600 0.002 0.000 1.670 351 M HN 0.034 nan 8.290 nan 0.000 0.466 352 E N 5.352 125.557 120.200 0.008 0.000 2.129 352 E HA 0.330 4.679 4.350 -0.001 0.000 0.283 352 E C -1.543 175.060 176.600 0.004 0.000 1.080 352 E CA -0.323 56.084 56.400 0.013 0.000 0.867 352 E CB 0.646 30.366 29.700 0.032 0.000 1.056 352 E HN 0.800 nan 8.360 nan 0.000 0.404 353 L N 3.126 124.346 121.223 -0.004 0.000 2.325 353 L HA 0.698 5.037 4.340 -0.001 0.000 0.278 353 L C -0.274 176.607 176.870 0.017 0.000 1.023 353 L CA -0.939 53.897 54.840 -0.008 0.000 0.811 353 L CB 1.817 43.863 42.059 -0.022 0.000 1.249 353 L HN 0.531 nan 8.230 nan 0.000 0.431 354 A N 2.744 125.582 122.820 0.030 0.000 2.343 354 A HA 0.538 4.858 4.320 -0.001 0.000 0.308 354 A C -0.723 176.901 177.584 0.067 0.000 1.092 354 A CA -0.791 51.274 52.037 0.046 0.000 0.751 354 A CB 1.018 20.045 19.000 0.046 0.000 1.203 354 A HN 0.689 nan 8.150 nan 0.000 0.452 355 K N 1.803 122.245 120.400 0.070 0.000 2.382 355 K HA 0.237 4.556 4.320 -0.001 0.000 0.275 355 K C -0.588 176.073 176.600 0.100 0.000 1.009 355 K CA 0.307 56.648 56.287 0.091 0.000 0.970 355 K CB 0.678 33.224 32.500 0.077 0.000 0.934 355 K HN 0.607 nan 8.250 nan 0.000 0.479 356 I N 3.548 124.197 120.570 0.131 0.000 2.379 356 I HA 0.014 4.183 4.170 -0.001 0.000 0.290 356 I C 0.378 176.545 176.117 0.083 0.000 1.063 356 I CA -0.166 61.210 61.300 0.127 0.000 1.351 356 I CB 0.352 38.460 38.000 0.180 0.000 1.410 356 I HN 0.308 nan 8.210 nan 0.000 0.505 357 K N 6.117 126.555 120.400 0.064 0.000 2.416 357 K HA 0.021 4.340 4.320 -0.001 0.000 0.283 357 K C 0.903 177.523 176.600 0.033 0.000 1.037 357 K CA -0.075 56.241 56.287 0.048 0.000 0.995 357 K CB 0.657 33.186 32.500 0.048 0.000 0.938 357 K HN 0.569 nan 8.250 nan 0.000 0.475 358 Q N 1.897 121.716 119.800 0.032 0.000 2.170 358 Q HA -0.171 4.169 4.340 -0.001 0.000 0.203 358 Q C 0.297 176.307 176.000 0.017 0.000 0.976 358 Q CA 1.120 56.939 55.803 0.027 0.000 0.858 358 Q CB -0.008 28.748 28.738 0.030 0.000 0.907 358 Q HN 0.393 nan 8.270 nan 0.000 0.433 359 K N 1.231 121.640 120.400 0.015 0.000 2.402 359 K HA -0.043 4.276 4.320 -0.001 0.000 0.279 359 K C -1.234 175.366 176.600 0.001 0.000 1.082 359 K CA 0.031 56.321 56.287 0.006 0.000 1.080 359 K CB 0.207 32.714 32.500 0.012 0.000 0.899 359 K HN 0.112 nan 8.250 nan 0.000 0.469 360 C N 9.160 128.445 119.300 -0.025 0.000 2.647 360 C HA 0.458 4.917 4.460 -0.001 0.000 0.273 360 C C -2.434 172.488 174.990 -0.114 0.000 1.088 360 C CA -2.365 56.629 59.018 -0.041 0.000 1.529 360 C CB -0.070 27.644 27.740 -0.044 0.000 1.810 360 C HN 0.743 nan 8.230 nan 0.000 0.422 361 P HA 0.255 nan 4.420 nan 0.000 0.271 361 P C -0.916 176.178 177.300 -0.343 0.000 1.216 361 P CA -0.015 62.947 63.100 -0.231 0.000 0.776 361 P CB 0.928 32.515 31.700 -0.187 0.000 0.881 362 L N 3.915 124.790 121.223 -0.580 0.000 2.329 362 L HA 0.433 4.772 4.340 -0.001 0.000 0.279 362 L C -0.314 176.124 176.870 -0.719 0.000 1.014 362 L CA -0.589 53.884 54.840 -0.611 0.000 0.814 362 L CB 0.762 42.383 42.059 -0.731 0.000 1.257 362 L HN 0.304 nan 8.230 nan 0.000 0.424 363 Y N 0.810 121.014 120.300 -0.161 0.000 2.446 363 Y HA 0.478 5.027 4.550 -0.001 0.000 0.345 363 Y C 0.397 176.253 175.900 -0.073 0.000 0.984 363 Y CA -0.900 57.140 58.100 -0.101 0.000 1.058 363 Y CB 1.551 39.970 38.460 -0.068 0.000 1.220 363 Y HN 0.560 nan 8.280 nan 0.000 0.455 364 E N 0.795 121.028 120.200 0.055 0.000 2.405 364 E HA 0.355 4.704 4.350 -0.001 0.000 0.253 364 E C 0.621 177.282 176.600 0.102 0.000 1.257 364 E CA 0.063 56.478 56.400 0.025 0.000 0.960 364 E CB 0.701 30.401 29.700 -0.001 0.000 1.077 364 E HN 0.812 nan 8.360 nan 0.000 0.512 365 A N 1.568 124.438 122.820 0.084 0.000 2.024 365 A HA -0.213 4.107 4.320 -0.001 0.000 0.220 365 A C 1.564 179.234 177.584 0.144 0.000 1.164 365 A CA 1.918 54.058 52.037 0.173 0.000 0.643 365 A CB -0.794 18.287 19.000 0.135 0.000 0.806 365 A HN 0.640 nan 8.150 nan 0.000 0.451 366 N N -1.312 117.441 118.700 0.089 0.000 2.461 366 N HA 0.238 4.977 4.740 -0.001 0.000 0.188 366 N C 1.040 176.582 175.510 0.053 0.000 1.134 366 N CA 1.182 54.268 53.050 0.061 0.000 0.878 366 N CB -0.384 38.126 38.487 0.038 0.000 0.972 366 N HN 0.763 nan 8.380 nan 0.000 0.456 367 G N -0.324 108.526 108.800 0.084 0.000 2.176 367 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.253 367 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.253 367 G C -0.308 174.653 174.900 0.101 0.000 0.979 367 G CA 0.287 45.418 45.100 0.052 0.000 0.641 367 G HN 0.774 nan 8.290 nan 0.000 0.530 368 Q N 0.336 120.196 119.800 0.100 0.000 2.243 368 Q HA 0.787 5.126 4.340 -0.001 0.000 0.252 368 Q C 0.468 176.506 176.000 0.063 0.000 0.909 368 Q CA -0.257 55.599 55.803 0.089 0.000 0.922 368 Q CB 1.694 30.444 28.738 0.021 0.000 1.215 368 Q HN 1.151 nan 8.270 nan 0.000 0.427 369 A N 2.808 125.630 122.820 0.004 0.000 2.507 369 A HA 0.261 4.581 4.320 -0.001 0.000 0.235 369 A C -0.058 177.369 177.584 -0.262 0.000 1.070 369 A CA -0.419 51.407 52.037 -0.353 0.000 0.768 369 A CB 0.339 19.139 19.000 -0.333 0.000 1.011 369 A HN 0.626 nan 8.150 nan 0.000 0.502 370 V N 3.853 123.559 119.914 -0.345 0.000 2.439 370 V HA 0.286 4.405 4.120 -0.001 0.000 0.282 370 V C -2.015 173.956 176.094 -0.205 0.000 1.039 370 V CA -1.185 60.974 62.300 -0.236 0.000 0.913 370 V CB 1.027 32.694 31.823 -0.259 0.000 0.983 370 V HN 0.809 nan 8.190 nan 0.000 0.460 371 P HA 0.083 nan 4.420 nan 0.000 0.268 371 P C 0.892 178.129 177.300 -0.104 0.000 1.204 371 P CA -0.145 62.889 63.100 -0.109 0.000 0.768 371 P CB 0.544 32.197 31.700 -0.080 0.000 0.842 372 K N 3.336 123.680 120.400 -0.094 0.000 2.097 372 K HA -0.307 4.012 4.320 -0.001 0.000 0.214 372 K C 1.344 177.905 176.600 -0.064 0.000 1.052 372 K CA 1.930 58.170 56.287 -0.079 0.000 0.932 372 K CB -0.058 32.407 32.500 -0.060 0.000 0.716 372 K HN 0.455 nan 8.250 nan 0.000 0.455 373 E N 0.313 120.479 120.200 -0.056 0.000 2.021 373 E HA -0.223 4.127 4.350 -0.001 0.000 0.200 373 E C 2.212 178.782 176.600 -0.050 0.000 1.015 373 E CA 1.604 57.976 56.400 -0.046 0.000 0.824 373 E CB -0.061 29.615 29.700 -0.041 0.000 0.762 373 E HN 0.306 nan 8.360 nan 0.000 0.454 374 K N 0.527 120.891 120.400 -0.059 0.000 2.063 374 K HA -0.193 4.126 4.320 -0.001 0.000 0.208 374 K C 2.017 178.582 176.600 -0.059 0.000 1.048 374 K CA 1.281 57.531 56.287 -0.061 0.000 0.928 374 K CB -0.105 32.354 32.500 -0.070 0.000 0.713 374 K HN 0.102 nan 8.250 nan 0.000 0.442 375 D N 1.150 121.505 120.400 -0.075 0.000 2.103 375 D HA -0.204 4.435 4.640 -0.001 0.000 0.190 375 D C 1.554 177.841 176.300 -0.022 0.000 0.997 375 D CA 1.582 55.542 54.000 -0.067 0.000 0.833 375 D CB 0.084 40.818 40.800 -0.109 0.000 0.961 375 D HN 0.274 nan 8.370 nan 0.000 0.447 376 E N -0.186 119.995 120.200 -0.032 0.000 2.077 376 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 376 E C 2.137 178.723 176.600 -0.023 0.000 0.989 376 E CA 0.547 56.935 56.400 -0.020 0.000 0.800 376 E CB -0.197 29.491 29.700 -0.020 0.000 0.746 376 E HN 0.318 nan 8.360 nan 0.000 0.452 377 M N 1.240 120.822 119.600 -0.030 0.000 2.067 377 M HA -0.148 4.331 4.480 -0.001 0.000 0.260 377 M C 2.276 178.553 176.300 -0.039 0.000 1.069 377 M CA 1.536 56.817 55.300 -0.032 0.000 1.117 377 M CB -0.258 32.319 32.600 -0.039 0.000 1.334 377 M HN 0.021 nan 8.290 nan 0.000 0.407 378 V N 0.484 120.373 119.914 -0.042 0.000 2.358 378 V HA -0.246 3.873 4.120 -0.001 0.000 0.246 378 V C 2.336 178.375 176.094 -0.091 0.000 1.047 378 V CA 2.112 64.385 62.300 -0.045 0.000 1.035 378 V CB -0.967 30.856 31.823 -0.000 0.000 0.658 378 V HN 0.550 nan 8.190 nan 0.000 0.452 379 E N -0.189 119.925 120.200 -0.142 0.000 2.153 379 E HA -0.298 4.051 4.350 -0.001 0.000 0.194 379 E C 2.294 178.845 176.600 -0.083 0.000 0.988 379 E CA 1.371 57.570 56.400 -0.336 0.000 0.811 379 E CB -0.033 29.546 29.700 -0.201 0.000 0.746 379 E HN 0.687 nan 8.360 nan 0.000 0.466 380 Q N -0.049 119.731 119.800 -0.034 0.000 2.172 380 Q HA -0.166 4.173 4.340 -0.001 0.000 0.200 380 Q C 1.755 177.764 176.000 0.015 0.000 0.964 380 Q CA 0.916 56.720 55.803 0.001 0.000 0.855 380 Q CB 0.232 28.969 28.738 -0.000 0.000 0.918 380 Q HN 0.145 nan 8.270 nan 0.000 0.444 381 E N 0.052 120.261 120.200 0.014 0.000 2.072 381 E HA -0.135 4.214 4.350 -0.001 0.000 0.190 381 E C 1.588 178.230 176.600 0.070 0.000 0.982 381 E CA 0.560 56.990 56.400 0.050 0.000 0.803 381 E CB -0.383 29.328 29.700 0.019 0.000 0.755 381 E HN 0.356 nan 8.360 nan 0.000 0.453 382 F N 2.965 122.842 119.950 -0.123 0.000 2.065 382 F HA -0.252 4.274 4.527 -0.001 0.000 0.298 382 F C 1.764 177.557 175.800 -0.013 0.000 1.112 382 F CA 1.631 59.551 58.000 -0.134 0.000 1.212 382 F CB -0.395 38.410 39.000 -0.325 0.000 0.975 382 F HN -0.007 nan 8.300 nan 0.000 0.476 383 N N 0.635 119.272 118.700 -0.106 0.000 2.120 383 N HA -0.160 4.579 4.740 -0.001 0.000 0.188 383 N C 2.001 177.444 175.510 -0.112 0.000 1.024 383 N CA 1.533 54.493 53.050 -0.150 0.000 0.852 383 N CB -0.501 37.989 38.487 0.006 0.000 1.003 383 N HN 0.410 nan 8.380 nan 0.000 0.424 384 R N 0.133 120.607 120.500 -0.044 0.000 2.081 384 R HA -0.019 4.320 4.340 -0.001 0.000 0.235 384 R C 1.918 178.208 176.300 -0.017 0.000 1.131 384 R CA 0.655 56.745 56.100 -0.016 0.000 0.960 384 R CB -0.325 29.985 30.300 0.018 0.000 0.856 384 R HN 0.086 nan 8.270 nan 0.000 0.436 385 L N 0.928 122.147 121.223 -0.006 0.000 2.012 385 L HA -0.177 4.162 4.340 -0.001 0.000 0.210 385 L C 2.219 179.076 176.870 -0.020 0.000 1.073 385 L CA 1.593 56.451 54.840 0.030 0.000 0.748 385 L CB -0.867 41.266 42.059 0.123 0.000 0.891 385 L HN 0.228 nan 8.230 nan 0.000 0.431 386 L N -1.037 120.106 121.223 -0.134 0.000 2.017 386 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 386 L C 2.627 179.507 176.870 0.017 0.000 1.073 386 L CA 1.222 56.004 54.840 -0.097 0.000 0.745 386 L CB -0.420 41.509 42.059 -0.218 0.000 0.894 386 L HN 0.345 nan 8.230 nan 0.000 0.432 387 E N 0.384 120.588 120.200 0.006 0.000 2.130 387 E HA -0.270 4.079 4.350 -0.001 0.000 0.196 387 E C 2.033 178.681 176.600 0.080 0.000 0.998 387 E CA 1.557 57.988 56.400 0.051 0.000 0.806 387 E CB 0.069 29.782 29.700 0.021 0.000 0.738 387 E HN 0.485 nan 8.360 nan 0.000 0.459 388 A N 0.417 123.268 122.820 0.051 0.000 1.902 388 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 388 A C 2.432 180.090 177.584 0.124 0.000 1.181 388 A CA 2.681 54.763 52.037 0.075 0.000 0.623 388 A CB -1.093 17.925 19.000 0.030 0.000 0.818 388 A HN 0.493 nan 8.150 nan 0.000 0.443 389 T N -3.020 111.588 114.554 0.090 0.000 2.821 389 T HA -0.129 4.220 4.350 -0.001 0.000 0.267 389 T C 2.057 176.796 174.700 0.065 0.000 1.046 389 T CA 1.808 63.961 62.100 0.087 0.000 1.139 389 T CB -0.601 68.299 68.868 0.053 0.000 0.871 389 T HN 0.349 nan 8.240 nan 0.000 0.454 390 S N 0.069 115.827 115.700 0.095 0.000 2.382 390 S HA -0.113 4.356 4.470 -0.001 0.000 0.228 390 S C 1.792 176.412 174.600 0.033 0.000 1.027 390 S CA 0.863 59.098 58.200 0.059 0.000 0.991 390 S CB -0.706 62.597 63.200 0.173 0.000 0.823 390 S HN 0.639 nan 8.310 nan 0.000 0.469 391 Y N 1.391 121.694 120.300 0.005 0.000 2.133 391 Y HA -0.025 4.524 4.550 -0.001 0.000 0.287 391 Y C 1.941 177.842 175.900 0.001 0.000 1.134 391 Y CA 1.465 59.572 58.100 0.012 0.000 1.133 391 Y CB -0.697 37.767 38.460 0.007 0.000 0.987 391 Y HN 0.234 nan 8.280 nan 0.000 0.502 392 L N -0.397 120.865 121.223 0.065 0.000 2.081 392 L HA -0.237 4.102 4.340 -0.001 0.000 0.212 392 L C 2.849 179.706 176.870 -0.023 0.000 1.080 392 L CA 2.225 57.087 54.840 0.035 0.000 0.754 392 L CB -1.357 40.824 42.059 0.204 0.000 0.893 392 L HN 0.380 nan 8.230 nan 0.000 0.433 393 S N -1.507 114.113 115.700 -0.135 0.000 2.336 393 S HA -0.085 4.385 4.470 -0.001 0.000 0.216 393 S C 1.115 175.527 174.600 -0.313 0.000 1.032 393 S CA 0.365 58.388 58.200 -0.296 0.000 0.973 393 S CB -0.230 62.641 63.200 -0.550 0.000 0.888 393 S HN 0.526 nan 8.310 nan 0.000 0.455 394 H N 0.910 119.941 119.070 -0.064 0.000 2.557 394 H HA 0.528 5.083 4.556 -0.001 0.000 0.236 394 H C 0.506 175.750 175.328 -0.140 0.000 1.676 394 H CA 0.064 56.062 56.048 -0.082 0.000 1.197 394 H CB 0.600 30.330 29.762 -0.054 0.000 1.604 394 H HN 0.473 nan 8.280 nan 0.000 0.509 395 Q N -0.104 119.611 119.800 -0.143 0.000 2.013 395 Q HA 0.107 4.446 4.340 -0.001 0.000 0.158 395 Q C 0.173 176.012 176.000 -0.269 0.000 0.689 395 Q CA 0.134 55.775 55.803 -0.271 0.000 0.835 395 Q CB 0.113 28.473 28.738 -0.631 0.000 1.165 395 Q HN 0.358 nan 8.270 nan 0.000 0.343 396 L N 1.394 122.445 121.223 -0.288 0.000 2.769 396 L HA 0.365 4.704 4.340 -0.001 0.000 0.240 396 L C -0.215 176.630 176.870 -0.043 0.000 1.163 396 L CA 0.281 55.024 54.840 -0.162 0.000 0.962 396 L CB 0.290 42.246 42.059 -0.171 0.000 1.258 396 L HN 0.328 nan 8.230 nan 0.000 0.513 397 D N 1.434 121.809 120.400 -0.041 0.000 2.745 397 D HA -0.302 4.337 4.640 -0.001 0.000 0.225 397 D C 0.098 176.444 176.300 0.077 0.000 1.212 397 D CA 0.408 54.412 54.000 0.006 0.000 0.632 397 D CB -0.820 39.985 40.800 0.007 0.000 0.994 397 D HN 0.270 nan 8.370 nan 0.000 0.407 398 F N 0.943 120.839 119.950 -0.090 0.000 2.669 398 F HA 0.356 4.883 4.527 -0.001 0.000 0.353 398 F C 0.662 176.425 175.800 -0.061 0.000 1.192 398 F CA -0.614 57.346 58.000 -0.066 0.000 1.317 398 F CB -0.365 38.596 39.000 -0.066 0.000 1.652 398 F HN 0.043 nan 8.300 nan 0.000 0.608 399 N N 1.259 119.857 118.700 -0.170 0.000 2.220 399 N HA 0.118 4.857 4.740 -0.001 0.000 0.195 399 N C -0.589 174.786 175.510 -0.224 0.000 1.123 399 N CA 0.342 53.242 53.050 -0.251 0.000 0.874 399 N CB 1.487 39.895 38.487 -0.132 0.000 0.995 399 N HN 0.181 nan 8.380 nan 0.000 0.498 400 V N 1.690 121.508 119.914 -0.161 0.000 2.709 400 V HA 0.504 4.623 4.120 -0.001 0.000 0.308 400 V C -1.064 174.997 176.094 -0.056 0.000 1.062 400 V CA -0.867 61.376 62.300 -0.095 0.000 0.901 400 V CB 2.769 34.574 31.823 -0.029 0.000 1.003 400 V HN -0.071 nan 8.190 nan 0.000 0.425 401 L N 4.338 125.534 121.223 -0.046 0.000 2.516 401 L HA 0.637 4.976 4.340 -0.001 0.000 0.267 401 L C -0.131 176.746 176.870 0.012 0.000 0.957 401 L CA 0.163 55.014 54.840 0.019 0.000 0.860 401 L CB 1.651 43.734 42.059 0.041 0.000 1.265 401 L HN 0.669 nan 8.230 nan 0.000 0.403 402 N N 3.865 122.580 118.700 0.025 0.000 2.747 402 N HA -0.228 4.512 4.740 -0.001 0.000 0.249 402 N C 0.333 175.848 175.510 0.008 0.000 1.107 402 N CA 1.098 54.159 53.050 0.017 0.000 0.707 402 N CB -1.182 37.315 38.487 0.016 0.000 1.054 402 N HN 0.796 nan 8.380 nan 0.000 0.555 403 N N -2.875 115.829 118.700 0.007 0.000 2.929 403 N HA -0.218 4.521 4.740 -0.001 0.000 0.234 403 N C -0.736 174.772 175.510 -0.003 0.000 0.908 403 N CA 1.774 54.826 53.050 0.003 0.000 0.993 403 N CB -0.679 37.811 38.487 0.005 0.000 1.075 403 N HN 0.617 nan 8.380 nan 0.000 0.603 404 K N 1.345 121.739 120.400 -0.009 0.000 2.143 404 K HA 0.461 4.780 4.320 -0.001 0.000 0.272 404 K C -2.512 174.067 176.600 -0.034 0.000 1.001 404 K CA -1.493 54.785 56.287 -0.015 0.000 0.915 404 K CB 0.967 33.458 32.500 -0.014 0.000 1.047 404 K HN -0.089 nan 8.250 nan 0.000 0.458 405 P HA 0.037 nan 4.420 nan 0.000 0.275 405 P C -0.664 176.583 177.300 -0.088 0.000 1.228 405 P CA -0.494 62.576 63.100 -0.049 0.000 0.786 405 P CB 0.611 32.307 31.700 -0.006 0.000 0.927 406 V N 2.465 122.280 119.914 -0.164 0.000 2.530 406 V HA 0.218 4.337 4.120 -0.001 0.000 0.282 406 V C 0.798 176.801 176.094 -0.151 0.000 1.048 406 V CA -0.054 62.110 62.300 -0.227 0.000 0.997 406 V CB 0.776 32.305 31.823 -0.490 0.000 0.987 406 V HN 0.692 nan 8.190 nan 0.000 0.477 407 S N 4.554 120.180 115.700 -0.122 0.000 2.646 407 S HA 0.378 4.848 4.470 -0.001 0.000 0.276 407 S C 0.756 175.276 174.600 -0.135 0.000 1.222 407 S CA -0.624 57.520 58.200 -0.094 0.000 1.014 407 S CB 1.423 64.574 63.200 -0.082 0.000 0.991 407 S HN 0.564 nan 8.310 nan 0.000 0.533 408 L N 2.535 123.660 121.223 -0.162 0.000 2.079 408 L HA 0.127 4.466 4.340 -0.001 0.000 0.210 408 L C 2.241 178.956 176.870 -0.257 0.000 1.081 408 L CA 2.467 57.155 54.840 -0.254 0.000 0.752 408 L CB -1.504 40.251 42.059 -0.507 0.000 0.896 408 L HN 0.978 nan 8.230 nan 0.000 0.433 409 G N -1.544 107.104 108.800 -0.254 0.000 2.418 409 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.217 409 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.217 409 G C 1.514 176.307 174.900 -0.179 0.000 1.158 409 G CA 0.701 45.644 45.100 -0.262 0.000 0.771 409 G HN 0.519 nan 8.290 nan 0.000 0.545 410 Q N -0.086 119.637 119.800 -0.129 0.000 2.050 410 Q HA -0.070 4.269 4.340 -0.001 0.000 0.202 410 Q C 2.964 178.948 176.000 -0.027 0.000 0.980 410 Q CA 1.460 57.219 55.803 -0.074 0.000 0.840 410 Q CB -0.266 28.424 28.738 -0.080 0.000 0.898 410 Q HN 0.444 nan 8.270 nan 0.000 0.424 411 A N 0.490 123.287 122.820 -0.039 0.000 1.933 411 A HA -0.170 4.150 4.320 -0.001 0.000 0.218 411 A C 2.029 179.637 177.584 0.041 0.000 1.175 411 A CA 1.059 53.136 52.037 0.065 0.000 0.628 411 A CB -0.679 18.340 19.000 0.031 0.000 0.814 411 A HN 0.391 nan 8.150 nan 0.000 0.444 412 L N -0.492 120.701 121.223 -0.050 0.000 2.017 412 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 412 L C 2.645 179.513 176.870 -0.004 0.000 1.073 412 L CA 1.420 56.229 54.840 -0.052 0.000 0.745 412 L CB -0.553 41.373 42.059 -0.221 0.000 0.894 412 L HN 0.332 nan 8.230 nan 0.000 0.432 413 E N -0.293 119.888 120.200 -0.032 0.000 2.153 413 E HA -0.156 4.193 4.350 -0.001 0.000 0.194 413 E C 2.344 178.962 176.600 0.031 0.000 0.988 413 E CA 0.963 57.367 56.400 0.008 0.000 0.811 413 E CB -0.427 29.266 29.700 -0.012 0.000 0.746 413 E HN 0.311 nan 8.360 nan 0.000 0.466 414 V N 0.870 120.808 119.914 0.041 0.000 2.358 414 V HA -0.178 3.941 4.120 -0.001 0.000 0.246 414 V C 2.476 178.578 176.094 0.013 0.000 1.047 414 V CA 1.133 63.459 62.300 0.043 0.000 1.035 414 V CB -0.329 31.554 31.823 0.100 0.000 0.658 414 V HN 0.070 nan 8.190 nan 0.000 0.452 415 V N -0.097 119.832 119.914 0.025 0.000 2.515 415 V HA -0.192 3.927 4.120 -0.001 0.000 0.250 415 V C 2.265 178.340 176.094 -0.033 0.000 1.058 415 V CA 1.408 63.706 62.300 -0.002 0.000 1.064 415 V CB -0.429 31.410 31.823 0.026 0.000 0.675 415 V HN 0.393 nan 8.190 nan 0.000 0.461 416 I N -0.239 120.345 120.570 0.022 0.000 2.252 416 I HA -0.236 3.933 4.170 -0.001 0.000 0.245 416 I C 2.542 178.627 176.117 -0.054 0.000 1.102 416 I CA 1.552 62.872 61.300 0.034 0.000 1.385 416 I CB -1.171 36.935 38.000 0.177 0.000 1.064 416 I HN 0.416 nan 8.210 nan 0.000 0.414 417 Q N 0.502 120.293 119.800 -0.015 0.000 2.061 417 Q HA -0.180 4.159 4.340 -0.001 0.000 0.204 417 Q C 2.467 178.430 176.000 -0.063 0.000 0.984 417 Q CA 1.388 57.178 55.803 -0.021 0.000 0.846 417 Q CB -0.108 28.627 28.738 -0.005 0.000 0.902 417 Q HN 0.483 nan 8.270 nan 0.000 0.421 418 L N 0.393 121.567 121.223 -0.081 0.000 2.083 418 L HA -0.237 4.102 4.340 -0.001 0.000 0.209 418 L C 2.536 179.327 176.870 -0.133 0.000 1.083 418 L CA 0.869 55.654 54.840 -0.092 0.000 0.752 418 L CB -0.433 41.569 42.059 -0.095 0.000 0.899 418 L HN 0.276 nan 8.230 nan 0.000 0.433 419 Q N 0.137 119.776 119.800 -0.267 0.000 2.124 419 Q HA -0.203 4.136 4.340 -0.001 0.000 0.202 419 Q C 2.049 177.849 176.000 -0.332 0.000 0.977 419 Q CA 1.441 56.962 55.803 -0.469 0.000 0.850 419 Q CB -0.122 27.866 28.738 -1.250 0.000 0.901 419 Q HN 0.606 nan 8.270 nan 0.000 0.429 420 E N 0.314 120.382 120.200 -0.220 0.000 2.106 420 E HA -0.173 4.176 4.350 -0.001 0.000 0.192 420 E C 1.923 178.502 176.600 -0.034 0.000 0.984 420 E CA 0.881 57.252 56.400 -0.049 0.000 0.806 420 E CB 0.054 29.765 29.700 0.019 0.000 0.750 420 E HN 0.026 nan 8.360 nan 0.000 0.458 421 K N 0.712 121.090 120.400 -0.037 0.000 2.026 421 K HA -0.212 4.107 4.320 -0.001 0.000 0.208 421 K C 2.023 178.613 176.600 -0.017 0.000 1.048 421 K CA 1.662 57.937 56.287 -0.021 0.000 0.929 421 K CB -0.387 32.104 32.500 -0.015 0.000 0.713 421 K HN 0.112 nan 8.250 nan 0.000 0.439 422 H N -0.357 118.654 119.070 -0.097 0.000 2.353 422 H HA -0.027 4.528 4.556 -0.001 0.000 0.300 422 H C 1.715 176.992 175.328 -0.085 0.000 1.090 422 H CA 1.901 57.894 56.048 -0.091 0.000 1.327 422 H CB -0.290 29.409 29.762 -0.105 0.000 1.383 422 H HN 0.035 nan 8.280 nan 0.000 0.508 423 V N 0.792 120.591 119.914 -0.191 0.000 2.295 423 V HA -0.233 3.886 4.120 -0.001 0.000 0.246 423 V C 2.583 178.537 176.094 -0.233 0.000 1.049 423 V CA 2.251 64.424 62.300 -0.210 0.000 1.024 423 V CB -0.513 31.287 31.823 -0.039 0.000 0.648 423 V HN 0.466 nan 8.190 nan 0.000 0.447 424 K N -0.375 119.929 120.400 -0.161 0.000 2.097 424 K HA -0.229 4.090 4.320 -0.001 0.000 0.206 424 K C 1.798 178.270 176.600 -0.213 0.000 1.049 424 K CA 1.883 58.071 56.287 -0.165 0.000 0.933 424 K CB -0.220 32.235 32.500 -0.075 0.000 0.717 424 K HN 0.441 nan 8.250 nan 0.000 0.442 425 D N 1.047 121.333 120.400 -0.191 0.000 2.117 425 D HA -0.139 4.500 4.640 -0.001 0.000 0.197 425 D C 1.633 177.797 176.300 -0.227 0.000 0.987 425 D CA 1.146 55.045 54.000 -0.169 0.000 0.829 425 D CB -0.025 40.710 40.800 -0.108 0.000 0.961 425 D HN 0.386 nan 8.370 nan 0.000 0.460 426 E N 0.307 120.310 120.200 -0.327 0.000 2.274 426 E HA -0.143 4.207 4.350 -0.001 0.000 0.194 426 E C 1.938 178.350 176.600 -0.314 0.000 0.996 426 E CA 0.235 56.458 56.400 -0.295 0.000 0.840 426 E CB 0.068 29.554 29.700 -0.357 0.000 0.772 426 E HN 0.386 nan 8.360 nan 0.000 0.491 427 Q N 0.762 120.303 119.800 -0.431 0.000 2.020 427 Q HA -0.147 4.192 4.340 -0.001 0.000 0.198 427 Q C 2.242 177.726 176.000 -0.860 0.000 0.974 427 Q CA 0.935 56.307 55.803 -0.718 0.000 0.829 427 Q CB 0.139 28.393 28.738 -0.807 0.000 0.894 427 Q HN 0.132 nan 8.270 nan 0.000 0.433 428 I N 1.601 121.827 120.570 -0.573 0.000 2.113 428 I HA -0.320 3.850 4.170 -0.001 0.000 0.242 428 I C 2.138 178.205 176.117 -0.084 0.000 1.064 428 I CA 1.833 62.998 61.300 -0.226 0.000 1.320 428 I CB -1.408 36.554 38.000 -0.063 0.000 1.028 428 I HN 0.405 nan 8.210 nan 0.000 0.406 429 E N -0.698 119.443 120.200 -0.097 0.000 2.118 429 E HA -0.272 4.077 4.350 -0.001 0.000 0.195 429 E C 2.221 178.819 176.600 -0.004 0.000 0.992 429 E CA 1.161 57.541 56.400 -0.034 0.000 0.804 429 E CB -0.330 29.345 29.700 -0.041 0.000 0.741 429 E HN 0.584 nan 8.360 nan 0.000 0.458 430 H N -0.203 118.778 119.070 -0.149 0.000 2.326 430 H HA -0.130 4.426 4.556 -0.001 0.000 0.301 430 H C 1.754 177.108 175.328 0.044 0.000 1.081 430 H CA 1.332 57.323 56.048 -0.094 0.000 1.334 430 H CB -0.034 29.621 29.762 -0.178 0.000 1.385 430 H HN 0.268 nan 8.280 nan 0.000 0.504 431 W N 1.731 123.076 121.300 0.076 0.000 2.331 431 W HA -0.133 4.526 4.660 -0.001 0.000 0.291 431 W C 2.458 178.949 176.519 -0.045 0.000 1.214 431 W CA 0.686 58.040 57.345 0.015 0.000 1.228 431 W CB -0.558 28.925 29.460 0.037 0.000 1.135 431 W HN 0.268 nan 8.180 nan 0.000 0.537 432 K N 0.219 120.725 120.400 0.177 0.000 2.148 432 K HA -0.144 4.175 4.320 -0.001 0.000 0.204 432 K C 1.948 178.556 176.600 0.013 0.000 1.050 432 K CA 1.239 57.576 56.287 0.083 0.000 0.942 432 K CB -0.219 32.317 32.500 0.059 0.000 0.724 432 K HN 0.087 nan 8.250 nan 0.000 0.446 433 K N 0.427 120.799 120.400 -0.047 0.000 2.097 433 K HA -0.059 4.260 4.320 -0.001 0.000 0.205 433 K C 2.001 178.543 176.600 -0.097 0.000 1.050 433 K CA 0.796 57.026 56.287 -0.096 0.000 0.938 433 K CB 0.027 32.422 32.500 -0.175 0.000 0.718 433 K HN 0.030 nan 8.250 nan 0.000 0.442 434 I N 0.859 121.366 120.570 -0.106 0.000 2.113 434 I HA -0.221 3.948 4.170 -0.001 0.000 0.238 434 I C 2.333 178.441 176.117 -0.016 0.000 1.070 434 I CA 1.278 62.546 61.300 -0.054 0.000 1.332 434 I CB -1.039 36.967 38.000 0.010 0.000 1.044 434 I HN -0.090 nan 8.210 nan 0.000 0.402 435 V N 1.219 121.138 119.914 0.009 0.000 2.392 435 V HA -0.292 3.828 4.120 -0.001 0.000 0.249 435 V C 2.598 178.689 176.094 -0.006 0.000 1.059 435 V CA 1.926 64.228 62.300 0.003 0.000 1.051 435 V CB -0.780 31.052 31.823 0.015 0.000 0.658 435 V HN 0.343 nan 8.190 nan 0.000 0.455 436 K N 0.390 120.786 120.400 -0.008 0.000 2.026 436 K HA -0.148 4.171 4.320 -0.001 0.000 0.208 436 K C 2.148 178.737 176.600 -0.017 0.000 1.048 436 K CA 2.221 58.501 56.287 -0.012 0.000 0.929 436 K CB -0.940 31.552 32.500 -0.014 0.000 0.713 436 K HN 0.433 nan 8.250 nan 0.000 0.439 437 T N 1.122 115.662 114.554 -0.023 0.000 2.788 437 T HA -0.119 4.230 4.350 -0.001 0.000 0.268 437 T C 1.668 176.356 174.700 -0.020 0.000 1.044 437 T CA 1.486 63.572 62.100 -0.024 0.000 1.139 437 T CB -0.151 68.699 68.868 -0.030 0.000 0.867 437 T HN 0.381 nan 8.240 nan 0.000 0.454 438 Q N 0.411 120.201 119.800 -0.018 0.000 2.167 438 Q HA -0.093 4.247 4.340 -0.001 0.000 0.202 438 Q C 2.260 178.250 176.000 -0.016 0.000 0.970 438 Q CA 1.079 56.873 55.803 -0.016 0.000 0.855 438 Q CB -0.073 28.656 28.738 -0.015 0.000 0.911 438 Q HN 0.635 nan 8.270 nan 0.000 0.438 439 E N 0.864 121.054 120.200 -0.015 0.000 2.076 439 E HA -0.136 4.213 4.350 -0.001 0.000 0.190 439 E C 1.803 178.392 176.600 -0.017 0.000 0.979 439 E CA 0.624 57.016 56.400 -0.015 0.000 0.807 439 E CB 0.107 29.800 29.700 -0.012 0.000 0.761 439 E HN 0.369 nan 8.360 nan 0.000 0.454 440 E N 0.890 121.079 120.200 -0.018 0.000 2.118 440 E HA -0.182 4.167 4.350 -0.001 0.000 0.195 440 E C 2.194 178.779 176.600 -0.024 0.000 0.992 440 E CA 0.712 57.099 56.400 -0.021 0.000 0.804 440 E CB -0.029 29.658 29.700 -0.021 0.000 0.741 440 E HN 0.232 nan 8.360 nan 0.000 0.458 441 L N 1.025 122.235 121.223 -0.023 0.000 1.988 441 L HA -0.190 4.149 4.340 -0.001 0.000 0.207 441 L C 2.723 179.578 176.870 -0.025 0.000 1.071 441 L CA 1.215 56.039 54.840 -0.025 0.000 0.744 441 L CB -0.402 41.644 42.059 -0.021 0.000 0.893 441 L HN 0.065 nan 8.230 nan 0.000 0.433 442 K N 0.448 120.836 120.400 -0.020 0.000 2.059 442 K HA -0.274 4.045 4.320 -0.001 0.000 0.212 442 K C 1.883 178.471 176.600 -0.020 0.000 1.050 442 K CA 2.160 58.436 56.287 -0.018 0.000 0.927 442 K CB -0.090 32.401 32.500 -0.015 0.000 0.714 442 K HN 0.383 nan 8.250 nan 0.000 0.447 443 E N 0.601 120.789 120.200 -0.021 0.000 2.110 443 E HA -0.171 4.178 4.350 -0.001 0.000 0.193 443 E C 1.966 178.549 176.600 -0.029 0.000 0.988 443 E CA 0.723 57.110 56.400 -0.022 0.000 0.804 443 E CB -0.061 29.627 29.700 -0.020 0.000 0.745 443 E HN 0.246 nan 8.360 nan 0.000 0.458 444 L N 0.723 121.925 121.223 -0.036 0.000 2.056 444 L HA -0.135 4.205 4.340 -0.001 0.000 0.207 444 L C 2.033 178.867 176.870 -0.061 0.000 1.078 444 L CA 1.295 56.104 54.840 -0.052 0.000 0.749 444 L CB -0.333 41.693 42.059 -0.056 0.000 0.901 444 L HN 0.192 nan 8.230 nan 0.000 0.433 445 L N 0.611 121.807 121.223 -0.046 0.000 2.046 445 L HA -0.234 4.105 4.340 -0.001 0.000 0.208 445 L C 2.531 179.385 176.870 -0.027 0.000 1.077 445 L CA 1.792 56.609 54.840 -0.039 0.000 0.747 445 L CB -1.238 40.808 42.059 -0.022 0.000 0.896 445 L HN 0.432 nan 8.230 nan 0.000 0.432 446 N N 0.937 119.624 118.700 -0.021 0.000 2.149 446 N HA -0.250 4.490 4.740 -0.001 0.000 0.188 446 N C 1.779 177.282 175.510 -0.012 0.000 1.019 446 N CA 1.708 54.751 53.050 -0.012 0.000 0.857 446 N CB 0.141 38.621 38.487 -0.012 0.000 0.997 446 N HN 0.559 nan 8.380 nan 0.000 0.426 447 K N -0.342 120.043 120.400 -0.025 0.000 2.365 447 K HA 0.088 4.407 4.320 -0.001 0.000 0.197 447 K C 2.071 178.656 176.600 -0.025 0.000 1.042 447 K CA 0.564 56.837 56.287 -0.023 0.000 0.987 447 K CB -0.032 32.449 32.500 -0.033 0.000 0.779 447 K HN 0.106 nan 8.250 nan 0.000 0.484 448 M N 0.700 120.269 119.600 -0.051 0.000 2.236 448 M HA -0.057 4.422 4.480 -0.001 0.000 0.266 448 M C 1.897 178.251 176.300 0.090 0.000 1.070 448 M CA 0.847 56.105 55.300 -0.071 0.000 1.137 448 M CB 0.065 32.540 32.600 -0.209 0.000 1.378 448 M HN 0.007 nan 8.290 nan 0.000 0.426 449 V N 1.159 121.106 119.914 0.055 0.000 2.407 449 V HA -0.282 3.837 4.120 -0.001 0.000 0.248 449 V C 1.562 177.691 176.094 0.058 0.000 1.055 449 V CA 1.935 64.275 62.300 0.068 0.000 1.049 449 V CB -0.852 30.991 31.823 0.034 0.000 0.662 449 V HN 0.553 nan 8.190 nan 0.000 0.455 450 N N -0.396 118.327 118.700 0.039 0.000 2.331 450 N HA -0.103 4.636 4.740 -0.001 0.000 0.180 450 N C 1.580 177.111 175.510 0.036 0.000 1.019 450 N CA 0.569 53.635 53.050 0.026 0.000 0.881 450 N CB -0.020 38.474 38.487 0.012 0.000 0.972 450 N HN 0.293 nan 8.380 nan 0.000 0.435 451 L N 1.312 122.577 121.223 0.071 0.000 2.341 451 L HA 0.053 4.392 4.340 -0.001 0.000 0.214 451 L C 1.833 178.762 176.870 0.098 0.000 1.115 451 L CA 1.338 56.236 54.840 0.096 0.000 0.820 451 L CB -0.096 42.056 42.059 0.155 0.000 0.944 451 L HN -0.088 nan 8.230 nan 0.000 0.452 452 K N -0.299 120.170 120.400 0.115 0.000 2.062 452 K HA -0.131 4.188 4.320 -0.001 0.000 0.205 452 K C 1.957 178.543 176.600 -0.024 0.000 1.051 452 K CA 0.975 57.271 56.287 0.014 0.000 0.941 452 K CB -0.060 32.465 32.500 0.043 0.000 0.719 452 K HN 0.200 nan 8.250 nan 0.000 0.440 453 E N 1.522 121.722 120.200 0.000 0.000 2.265 453 E HA -0.151 4.198 4.350 -0.001 0.000 0.196 453 E C 1.714 178.293 176.600 -0.034 0.000 0.996 453 E CA 1.312 57.703 56.400 -0.015 0.000 0.832 453 E CB 0.069 29.768 29.700 -0.002 0.000 0.756 453 E HN 0.153 nan 8.360 nan 0.000 0.491 454 K N -0.617 119.762 120.400 -0.036 0.000 2.262 454 K HA 0.112 4.431 4.320 -0.001 0.000 0.200 454 K C 1.825 178.354 176.600 -0.118 0.000 1.049 454 K CA 0.489 56.742 56.287 -0.055 0.000 0.979 454 K CB 0.100 32.583 32.500 -0.028 0.000 0.773 454 K HN 0.161 nan 8.250 nan 0.000 0.474 455 I N 0.902 121.388 120.570 -0.140 0.000 2.480 455 I HA -0.184 3.985 4.170 -0.001 0.000 0.251 455 I C 1.817 177.772 176.117 -0.270 0.000 1.124 455 I CA 0.919 62.070 61.300 -0.248 0.000 1.444 455 I CB 0.041 37.889 38.000 -0.254 0.000 1.098 455 I HN 0.058 nan 8.210 nan 0.000 0.428 456 K N 0.944 121.255 120.400 -0.150 0.000 2.097 456 K HA -0.189 4.130 4.320 -0.001 0.000 0.206 456 K C 1.786 178.315 176.600 -0.117 0.000 1.049 456 K CA 1.332 57.566 56.287 -0.088 0.000 0.933 456 K CB -0.166 32.307 32.500 -0.045 0.000 0.717 456 K HN 0.313 nan 8.250 nan 0.000 0.442 457 E N 0.576 120.696 120.200 -0.133 0.000 2.331 457 E HA -0.162 4.187 4.350 -0.001 0.000 0.199 457 E C 1.620 178.076 176.600 -0.240 0.000 1.008 457 E CA 0.808 57.134 56.400 -0.123 0.000 0.843 457 E CB 0.013 29.661 29.700 -0.087 0.000 0.761 457 E HN 0.321 nan 8.360 nan 0.000 0.507 458 L N -1.518 119.430 121.223 -0.458 0.000 2.445 458 L HA 0.102 4.441 4.340 -0.001 0.000 0.207 458 L C 1.136 177.630 176.870 -0.626 0.000 1.053 458 L CA 0.150 54.347 54.840 -1.071 0.000 0.841 458 L CB -0.176 40.989 42.059 -1.491 0.000 1.074 458 L HN 0.084 nan 8.230 nan 0.000 0.479 459 H N 2.083 120.945 119.070 -0.347 0.000 3.792 459 H HA 0.196 4.751 4.556 -0.001 0.000 0.216 459 H C -0.343 174.919 175.328 -0.111 0.000 1.525 459 H CA -0.050 55.896 56.048 -0.170 0.000 1.309 459 H CB -0.005 29.680 29.762 -0.128 0.000 1.540 459 H HN 0.209 nan 8.280 nan 0.000 0.711 460 Q N 0.181 119.987 119.800 0.011 0.000 2.852 460 Q HA -0.055 4.284 4.340 -0.001 0.000 0.250 460 Q C -0.142 175.896 176.000 0.063 0.000 0.988 460 Q CA -0.162 55.659 55.803 0.030 0.000 0.905 460 Q CB 1.596 30.337 28.738 0.004 0.000 1.896 460 Q HN 0.607 nan 8.270 nan 0.000 0.464 461 Q N 0.425 120.295 119.800 0.116 0.000 3.303 461 Q HA -0.262 4.077 4.340 -0.001 0.000 0.206 461 Q C -0.745 175.425 176.000 0.284 0.000 2.771 461 Q CA 1.696 57.611 55.803 0.187 0.000 0.261 461 Q CB -1.210 27.667 28.738 0.231 0.000 0.203 461 Q HN 0.625 nan 8.270 nan 0.000 0.468 462 Y N 2.504 122.821 120.300 0.029 0.000 2.733 462 Y HA 0.274 4.823 4.550 -0.001 0.000 0.359 462 Y C 0.715 176.640 175.900 0.042 0.000 1.242 462 Y CA 1.501 59.622 58.100 0.035 0.000 1.715 462 Y CB -0.135 38.351 38.460 0.044 0.000 1.365 462 Y HN 0.315 nan 8.280 nan 0.000 0.488 463 K N 1.561 122.043 120.400 0.136 0.000 3.009 463 K HA 0.039 4.358 4.320 -0.001 0.000 0.119 463 K C -1.114 175.516 176.600 0.049 0.000 1.481 463 K CA 0.034 56.371 56.287 0.084 0.000 0.672 463 K CB -0.316 32.238 32.500 0.090 0.000 1.482 463 K HN 0.629 nan 8.250 nan 0.000 0.380 474 I N 0.028 120.608 120.570 0.017 0.000 3.941 474 I HA 0.358 4.527 4.170 -0.001 0.000 0.321 474 I C 1.564 177.696 176.117 0.025 0.000 1.284 474 I CA 0.746 62.056 61.300 0.016 0.000 1.226 474 I CB -0.187 37.819 38.000 0.011 0.000 1.045 474 I HN -0.100 nan 8.210 nan 0.000 0.420 475 T N 1.067 115.642 114.554 0.034 0.000 3.088 475 T HA 0.244 4.594 4.350 -0.001 0.000 0.259 475 T C 2.081 176.835 174.700 0.090 0.000 1.122 475 T CA 0.833 62.968 62.100 0.058 0.000 1.095 475 T CB -0.192 68.715 68.868 0.063 0.000 0.930 475 T HN 0.483 nan 8.240 nan 0.000 0.508 476 A N 2.086 124.937 122.820 0.052 0.000 2.067 476 A HA -0.293 4.026 4.320 -0.001 0.000 0.224 476 A C 2.098 179.708 177.584 0.044 0.000 1.172 476 A CA 2.040 54.097 52.037 0.033 0.000 0.662 476 A CB -0.722 18.286 19.000 0.013 0.000 0.814 476 A HN 0.626 nan 8.150 nan 0.000 0.468 477 E N -2.448 117.791 120.200 0.065 0.000 2.331 477 E HA -0.193 4.156 4.350 -0.001 0.000 0.199 477 E C 1.217 177.900 176.600 0.138 0.000 1.008 477 E CA 1.203 57.646 56.400 0.072 0.000 0.843 477 E CB -0.131 29.611 29.700 0.070 0.000 0.761 477 E HN 0.721 nan 8.360 nan 0.000 0.507 478 F N -0.796 119.140 119.950 -0.022 0.000 2.740 478 F HA 0.138 4.665 4.527 -0.001 0.000 0.304 478 F C 1.388 177.169 175.800 -0.032 0.000 1.098 478 F CA -0.242 57.745 58.000 -0.022 0.000 1.258 478 F CB 0.280 39.268 39.000 -0.020 0.000 1.061 478 F HN 0.016 nan 8.300 nan 0.000 0.598 479 L N -0.511 120.711 121.223 -0.002 0.000 2.270 479 L HA 0.124 4.463 4.340 -0.001 0.000 0.210 479 L C 1.683 178.468 176.870 -0.143 0.000 1.104 479 L CA 1.279 56.063 54.840 -0.094 0.000 0.804 479 L CB -0.428 41.611 42.059 -0.034 0.000 0.937 479 L HN -0.009 nan 8.230 nan 0.000 0.450 480 V N -0.823 119.037 119.914 -0.090 0.000 2.446 480 V HA -0.116 4.004 4.120 -0.001 0.000 0.244 480 V C 2.590 178.640 176.094 -0.073 0.000 1.039 480 V CA 1.024 63.283 62.300 -0.067 0.000 1.045 480 V CB -0.534 31.262 31.823 -0.045 0.000 0.681 480 V HN 0.292 nan 8.190 nan 0.000 0.459 481 K N 0.504 120.834 120.400 -0.117 0.000 2.044 481 K HA -0.154 4.165 4.320 -0.001 0.000 0.210 481 K C 2.429 178.939 176.600 -0.149 0.000 1.049 481 K CA 1.909 58.123 56.287 -0.122 0.000 0.927 481 K CB -0.665 31.726 32.500 -0.182 0.000 0.713 481 K HN 0.448 nan 8.250 nan 0.000 0.443 482 S N 1.237 116.751 115.700 -0.309 0.000 2.351 482 S HA -0.100 4.369 4.470 -0.001 0.000 0.220 482 S C 1.700 176.187 174.600 -0.188 0.000 1.035 482 S CA 1.214 59.232 58.200 -0.304 0.000 1.031 482 S CB -0.082 62.881 63.200 -0.394 0.000 0.928 482 S HN 0.219 nan 8.310 nan 0.000 0.433 483 K N 0.455 120.711 120.400 -0.240 0.000 2.360 483 K HA -0.056 4.263 4.320 -0.001 0.000 0.201 483 K C 1.743 178.402 176.600 0.098 0.000 1.046 483 K CA 1.033 57.142 56.287 -0.296 0.000 0.945 483 K CB -0.404 31.729 32.500 -0.612 0.000 0.750 483 K HN 0.479 nan 8.250 nan 0.000 0.464 484 H N 1.455 120.508 119.070 -0.028 0.000 2.306 484 H HA 0.034 4.590 4.556 -0.001 0.000 0.307 484 H C 1.843 177.176 175.328 0.009 0.000 1.061 484 H CA 1.747 57.808 56.048 0.022 0.000 1.359 484 H CB 0.141 29.901 29.762 -0.003 0.000 1.407 484 H HN 0.149 nan 8.280 nan 0.000 0.517 485 R N 0.212 120.735 120.500 0.038 0.000 2.377 485 R HA -0.058 4.281 4.340 -0.001 0.000 0.207 485 R C 0.450 176.730 176.300 -0.034 0.000 1.075 485 R CA 1.520 57.607 56.100 -0.022 0.000 1.035 485 R CB 0.052 30.342 30.300 -0.016 0.000 0.857 485 R HN 0.306 nan 8.270 nan 0.000 0.475 486 D N 0.883 121.276 120.400 -0.010 0.000 2.414 486 D HA 0.003 4.642 4.640 -0.001 0.000 0.237 486 D C 1.766 178.081 176.300 0.026 0.000 0.975 486 D CA 0.491 54.509 54.000 0.029 0.000 0.917 486 D CB -0.113 40.738 40.800 0.086 0.000 1.061 486 D HN 0.131 nan 8.370 nan 0.000 0.480 487 L N 1.086 122.339 121.223 0.049 0.000 2.362 487 L HA -0.110 4.229 4.340 -0.001 0.000 0.219 487 L C 2.062 178.834 176.870 -0.163 0.000 1.134 487 L CA 1.348 56.139 54.840 -0.082 0.000 0.807 487 L CB -0.189 41.815 42.059 -0.091 0.000 0.927 487 L HN 0.182 nan 8.230 nan 0.000 0.447 488 T N -4.222 110.230 114.554 -0.169 0.000 2.939 488 T HA 0.049 4.398 4.350 -0.001 0.000 0.254 488 T C 1.902 176.553 174.700 -0.083 0.000 1.041 488 T CA 0.525 62.530 62.100 -0.158 0.000 1.142 488 T CB -0.350 68.403 68.868 -0.191 0.000 0.874 488 T HN 0.264 nan 8.240 nan 0.000 0.452 489 A N 1.624 124.408 122.820 -0.059 0.000 2.084 489 A HA 0.162 4.481 4.320 -0.001 0.000 0.221 489 A C 2.190 179.762 177.584 -0.021 0.000 1.161 489 A CA 1.030 53.050 52.037 -0.030 0.000 0.653 489 A CB -0.961 18.028 19.000 -0.019 0.000 0.802 489 A HN 0.593 nan 8.150 nan 0.000 0.457 490 L N -1.331 119.870 121.223 -0.036 0.000 2.612 490 L HA 0.003 4.342 4.340 -0.001 0.000 0.230 490 L C 1.148 178.016 176.870 -0.003 0.000 1.140 490 L CA -0.135 54.690 54.840 -0.024 0.000 0.896 490 L CB -0.150 41.873 42.059 -0.060 0.000 1.065 490 L HN 0.493 nan 8.230 nan 0.000 0.447 491 C N -1.491 117.803 119.300 -0.011 0.000 3.270 491 C HA 0.010 4.469 4.460 -0.001 0.000 0.369 491 C C 2.399 177.417 174.990 0.046 0.000 1.326 491 C CA -0.379 58.650 59.018 0.018 0.000 1.846 491 C CB 0.231 27.948 27.740 -0.039 0.000 2.534 491 C HN 0.432 nan 8.230 nan 0.000 0.649 492 K N 1.374 121.785 120.400 0.018 0.000 2.486 492 K HA -0.005 4.314 4.320 -0.001 0.000 0.194 492 K C 1.494 178.107 176.600 0.022 0.000 1.033 492 K CA 1.090 57.387 56.287 0.016 0.000 1.004 492 K CB 0.104 32.606 32.500 0.002 0.000 0.798 492 K HN 0.549 nan 8.250 nan 0.000 0.495 493 E N -0.931 119.291 120.200 0.037 0.000 2.152 493 E HA -0.073 4.276 4.350 -0.001 0.000 0.195 493 E C 1.337 177.964 176.600 0.045 0.000 0.934 493 E CA 0.144 56.563 56.400 0.030 0.000 0.869 493 E CB -0.146 29.572 29.700 0.030 0.000 0.842 493 E HN 0.190 nan 8.360 nan 0.000 0.472 494 Y N 3.041 123.322 120.300 -0.032 0.000 2.079 494 Y HA -0.256 4.293 4.550 -0.001 0.000 0.267 494 Y C 1.787 177.674 175.900 -0.021 0.000 1.104 494 Y CA 2.540 60.623 58.100 -0.029 0.000 1.086 494 Y CB -0.489 37.950 38.460 -0.035 0.000 0.989 494 Y HN 0.079 nan 8.280 nan 0.000 0.477 495 D N -0.539 120.089 120.400 0.380 0.000 2.393 495 D HA -0.212 4.427 4.640 -0.001 0.000 0.220 495 D C 1.562 177.886 176.300 0.040 0.000 0.974 495 D CA 1.276 55.400 54.000 0.205 0.000 0.931 495 D CB -0.506 40.399 40.800 0.174 0.000 0.889 495 D HN 0.456 nan 8.370 nan 0.000 0.512 496 E N -0.323 119.884 120.200 0.012 0.000 2.216 496 E HA -0.029 4.321 4.350 -0.001 0.000 0.192 496 E C 1.535 178.099 176.600 -0.060 0.000 0.988 496 E CA 0.453 56.843 56.400 -0.017 0.000 0.834 496 E CB -0.131 29.564 29.700 -0.010 0.000 0.772 496 E HN 0.264 nan 8.360 nan 0.000 0.479 497 L N 0.054 121.202 121.223 -0.125 0.000 2.131 497 L HA 0.184 4.523 4.340 -0.001 0.000 0.206 497 L C 2.177 178.948 176.870 -0.165 0.000 1.087 497 L CA 1.483 56.222 54.840 -0.168 0.000 0.767 497 L CB -0.994 40.906 42.059 -0.266 0.000 0.917 497 L HN 0.191 nan 8.230 nan 0.000 0.441 498 A N -1.060 121.648 122.820 -0.185 0.000 2.125 498 A HA -0.225 4.094 4.320 -0.001 0.000 0.219 498 A C 2.296 179.849 177.584 -0.052 0.000 1.156 498 A CA 1.686 53.657 52.037 -0.110 0.000 0.671 498 A CB -0.413 18.564 19.000 -0.038 0.000 0.794 498 A HN 0.513 nan 8.150 nan 0.000 0.459 499 E N -0.289 119.884 120.200 -0.046 0.000 2.042 499 E HA -0.119 4.230 4.350 -0.001 0.000 0.189 499 E C 1.929 178.510 176.600 -0.032 0.000 0.974 499 E CA 1.403 57.788 56.400 -0.026 0.000 0.806 499 E CB -0.098 29.591 29.700 -0.018 0.000 0.769 499 E HN 0.631 nan 8.360 nan 0.000 0.451 500 T N -0.978 113.550 114.554 -0.042 0.000 3.155 500 T HA -0.113 4.236 4.350 -0.001 0.000 0.264 500 T C 1.621 176.295 174.700 -0.044 0.000 1.160 500 T CA 0.955 63.031 62.100 -0.039 0.000 1.075 500 T CB 0.153 68.995 68.868 -0.043 0.000 0.921 500 T HN 0.200 nan 8.240 nan 0.000 0.533 501 Q N 0.718 120.487 119.800 -0.052 0.000 2.297 501 Q HA 0.177 4.516 4.340 -0.001 0.000 0.203 501 Q C 2.417 178.398 176.000 -0.032 0.000 0.931 501 Q CA 0.842 56.615 55.803 -0.050 0.000 0.885 501 Q CB -0.487 28.209 28.738 -0.069 0.000 0.991 501 Q HN 0.575 nan 8.270 nan 0.000 0.498 502 G N 0.798 109.583 108.800 -0.025 0.000 2.484 502 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.218 502 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.218 502 G C 1.391 176.283 174.900 -0.012 0.000 1.130 502 G CA 0.099 45.190 45.100 -0.014 0.000 0.784 502 G HN 0.068 nan 8.290 nan 0.000 0.543 503 K N -0.299 120.092 120.400 -0.015 0.000 2.487 503 K HA 0.211 4.530 4.320 -0.001 0.000 0.192 503 K C 1.621 178.214 176.600 -0.013 0.000 1.027 503 K CA 0.166 56.445 56.287 -0.012 0.000 1.054 503 K CB 0.293 32.784 32.500 -0.014 0.000 0.824 503 K HN 0.268 nan 8.250 nan 0.000 0.510 504 L N 0.031 121.244 121.223 -0.016 0.000 2.435 504 L HA 0.091 4.430 4.340 -0.001 0.000 0.195 504 L C 1.781 178.644 176.870 -0.012 0.000 1.072 504 L CA 1.073 55.903 54.840 -0.016 0.000 0.833 504 L CB -0.293 41.752 42.059 -0.022 0.000 1.081 504 L HN 0.008 nan 8.230 nan 0.000 0.485 505 E N -0.256 119.938 120.200 -0.011 0.000 2.267 505 E HA -0.270 4.079 4.350 -0.001 0.000 0.197 505 E C 1.848 178.447 176.600 -0.001 0.000 0.998 505 E CA 1.288 57.684 56.400 -0.006 0.000 0.830 505 E CB 0.091 29.787 29.700 -0.005 0.000 0.751 505 E HN 0.472 nan 8.360 nan 0.000 0.491 506 E N 1.090 121.288 120.200 -0.002 0.000 2.060 506 E HA -0.166 4.183 4.350 -0.001 0.000 0.189 506 E C 2.048 178.650 176.600 0.003 0.000 0.974 506 E CA 0.717 57.118 56.400 0.002 0.000 0.808 506 E CB 0.114 29.815 29.700 0.001 0.000 0.768 506 E HN 0.002 nan 8.360 nan 0.000 0.453 507 K N 0.442 120.841 120.400 -0.001 0.000 2.063 507 K HA -0.197 4.123 4.320 -0.001 0.000 0.208 507 K C 2.313 178.912 176.600 -0.002 0.000 1.048 507 K CA 1.254 57.540 56.287 -0.002 0.000 0.928 507 K CB -0.179 32.315 32.500 -0.009 0.000 0.713 507 K HN 0.131 nan 8.250 nan 0.000 0.442 508 L N 1.715 122.936 121.223 -0.004 0.000 1.961 508 L HA -0.223 4.116 4.340 -0.001 0.000 0.210 508 L C 2.503 179.382 176.870 0.014 0.000 1.072 508 L CA 1.959 56.797 54.840 -0.002 0.000 0.749 508 L CB -0.807 41.250 42.059 -0.004 0.000 0.889 508 L HN 0.312 nan 8.230 nan 0.000 0.432 509 Q N -0.952 118.857 119.800 0.016 0.000 2.248 509 Q HA -0.266 4.073 4.340 -0.001 0.000 0.208 509 Q C 2.166 178.187 176.000 0.034 0.000 0.984 509 Q CA 1.799 57.617 55.803 0.024 0.000 0.875 509 Q CB -0.231 28.517 28.738 0.018 0.000 0.910 509 Q HN 0.618 nan 8.270 nan 0.000 0.433 510 E N -0.126 120.093 120.200 0.031 0.000 2.107 510 E HA -0.168 4.182 4.350 -0.001 0.000 0.191 510 E C 1.708 178.350 176.600 0.069 0.000 0.982 510 E CA 0.762 57.186 56.400 0.039 0.000 0.809 510 E CB 0.125 29.842 29.700 0.028 0.000 0.756 510 E HN 0.322 nan 8.360 nan 0.000 0.459 511 L N 1.658 122.924 121.223 0.072 0.000 2.044 511 L HA -0.129 4.210 4.340 -0.001 0.000 0.205 511 L C 2.235 179.241 176.870 0.226 0.000 1.075 511 L CA 1.859 56.781 54.840 0.136 0.000 0.747 511 L CB -0.913 41.130 42.059 -0.027 0.000 0.903 511 L HN 0.226 nan 8.230 nan 0.000 0.435 512 E N -0.563 119.723 120.200 0.143 0.000 2.533 512 E HA -0.032 4.317 4.350 -0.001 0.000 0.201 512 E C 1.331 177.999 176.600 0.114 0.000 1.097 512 E CA 0.789 57.281 56.400 0.153 0.000 0.887 512 E CB -0.103 29.653 29.700 0.093 0.000 0.855 512 E HN 0.426 nan 8.360 nan 0.000 0.540 513 A N 1.095 123.975 122.820 0.100 0.000 2.226 513 A HA 0.162 4.481 4.320 -0.001 0.000 0.207 513 A C 0.494 178.107 177.584 0.047 0.000 1.293 513 A CA -0.313 51.761 52.037 0.061 0.000 0.968 513 A CB 0.352 19.380 19.000 0.045 0.000 1.044 513 A HN 0.065 nan 8.150 nan 0.000 0.493 514 N N 1.242 119.981 118.700 0.065 0.000 2.818 514 N HA 0.367 5.106 4.740 -0.001 0.000 0.301 514 N C -3.143 172.322 175.510 -0.075 0.000 1.821 514 N CA -1.001 52.060 53.050 0.018 0.000 0.930 514 N CB 0.742 39.253 38.487 0.039 0.000 1.263 514 N HN 0.211 nan 8.380 nan 0.000 0.487 515 P HA 0.302 nan 4.420 nan 0.000 0.275 515 P C -2.214 174.869 177.300 -0.362 0.000 1.228 515 P CA -0.852 61.989 63.100 -0.432 0.000 0.786 515 P CB 0.429 32.031 31.700 -0.164 0.000 0.927 516 P HA 0.178 nan 4.420 nan 0.000 0.277 516 P C -0.455 176.732 177.300 -0.189 0.000 1.276 516 P CA -0.394 62.542 63.100 -0.272 0.000 0.788 516 P CB 0.279 31.803 31.700 -0.293 0.000 1.114 517 S N 0.289 115.913 115.700 -0.126 0.000 2.552 517 S HA -0.063 4.406 4.470 -0.001 0.000 0.289 517 S C 1.011 175.561 174.600 -0.083 0.000 1.304 517 S CA 0.163 58.318 58.200 -0.075 0.000 1.063 517 S CB 0.044 63.227 63.200 -0.029 0.000 0.848 517 S HN 0.546 nan 8.310 nan 0.000 0.499 518 D N 1.617 121.993 120.400 -0.041 0.000 2.149 518 D HA -0.038 4.602 4.640 -0.001 0.000 0.201 518 D C 0.545 176.849 176.300 0.005 0.000 0.972 518 D CA 0.877 54.871 54.000 -0.011 0.000 0.835 518 D CB 0.236 41.052 40.800 0.027 0.000 0.966 518 D HN 0.438 nan 8.370 nan 0.000 0.476 519 V N -3.133 116.792 119.914 0.019 0.000 3.159 519 V HA 0.335 4.455 4.120 -0.001 0.000 0.308 519 V C 0.386 176.538 176.094 0.097 0.000 1.190 519 V CA -1.023 61.310 62.300 0.055 0.000 1.037 519 V CB 1.093 32.947 31.823 0.052 0.000 1.060 519 V HN 0.005 nan 8.190 nan 0.000 0.437 520 Y N 2.647 122.949 120.300 0.003 0.000 2.130 520 Y HA 0.412 4.961 4.550 -0.001 0.000 0.287 520 Y C 0.463 176.374 175.900 0.020 0.000 1.124 520 Y CA 1.234 59.342 58.100 0.014 0.000 1.118 520 Y CB 0.137 38.615 38.460 0.030 0.000 0.994 520 Y HN 0.553 nan 8.280 nan 0.000 0.497 521 L N 0.516 121.665 121.223 -0.124 0.000 2.408 521 L HA 0.365 4.704 4.340 -0.001 0.000 0.268 521 L C 0.103 176.938 176.870 -0.058 0.000 0.986 521 L CA -0.947 53.766 54.840 -0.211 0.000 0.820 521 L CB 2.023 43.926 42.059 -0.260 0.000 1.303 521 L HN 0.043 nan 8.230 nan 0.000 0.411 522 S N 0.070 115.737 115.700 -0.056 0.000 2.634 522 S HA 0.098 4.567 4.470 -0.001 0.000 0.261 522 S C 1.240 175.834 174.600 -0.009 0.000 1.271 522 S CA 0.093 58.282 58.200 -0.019 0.000 0.985 522 S CB 1.476 64.663 63.200 -0.022 0.000 0.968 522 S HN 0.667 nan 8.310 nan 0.000 0.568 523 S N 0.435 116.139 115.700 0.007 0.000 2.383 523 S HA -0.142 4.327 4.470 -0.001 0.000 0.229 523 S C 1.996 176.602 174.600 0.009 0.000 1.030 523 S CA 1.276 59.486 58.200 0.016 0.000 1.002 523 S CB -0.519 62.693 63.200 0.021 0.000 0.829 523 S HN 0.727 nan 8.310 nan 0.000 0.467 524 R N 0.333 120.831 120.500 -0.003 0.000 2.115 524 R HA 0.011 4.351 4.340 -0.001 0.000 0.226 524 R C 1.940 178.227 176.300 -0.021 0.000 1.100 524 R CA 1.382 57.476 56.100 -0.010 0.000 0.980 524 R CB -0.253 30.037 30.300 -0.017 0.000 0.875 524 R HN 0.428 nan 8.270 nan 0.000 0.445 525 D N 0.288 120.668 120.400 -0.034 0.000 2.097 525 D HA -0.175 4.464 4.640 -0.001 0.000 0.195 525 D C 1.854 178.131 176.300 -0.039 0.000 0.989 525 D CA 1.129 55.096 54.000 -0.054 0.000 0.827 525 D CB -0.107 40.637 40.800 -0.093 0.000 0.966 525 D HN -0.007 nan 8.370 nan 0.000 0.456 526 R N 1.141 121.630 120.500 -0.019 0.000 2.152 526 R HA -0.103 4.236 4.340 -0.001 0.000 0.232 526 R C 2.015 178.339 176.300 0.040 0.000 1.117 526 R CA 1.321 57.433 56.100 0.021 0.000 0.981 526 R CB -0.248 30.083 30.300 0.051 0.000 0.870 526 R HN 0.253 nan 8.270 nan 0.000 0.451 527 Q N -0.454 119.363 119.800 0.028 0.000 2.083 527 Q HA -0.034 4.305 4.340 -0.001 0.000 0.198 527 Q C 2.112 178.139 176.000 0.044 0.000 0.969 527 Q CA 1.664 57.490 55.803 0.039 0.000 0.838 527 Q CB -0.061 28.692 28.738 0.024 0.000 0.900 527 Q HN 0.384 nan 8.270 nan 0.000 0.436 528 I N 0.516 121.095 120.570 0.014 0.000 2.286 528 I HA -0.259 3.910 4.170 -0.001 0.000 0.248 528 I C 2.248 178.410 176.117 0.074 0.000 1.115 528 I CA 0.590 61.899 61.300 0.014 0.000 1.392 528 I CB -0.172 37.807 38.000 -0.035 0.000 1.065 528 I HN 0.214 nan 8.210 nan 0.000 0.418 529 L N 0.804 122.040 121.223 0.021 0.000 2.046 529 L HA -0.227 4.112 4.340 -0.001 0.000 0.208 529 L C 1.926 178.657 176.870 -0.232 0.000 1.077 529 L CA 1.994 56.781 54.840 -0.088 0.000 0.747 529 L CB -0.722 41.250 42.059 -0.145 0.000 0.896 529 L HN 0.140 nan 8.230 nan 0.000 0.432 530 D N -1.392 118.996 120.400 -0.019 0.000 2.221 530 D HA -0.252 4.387 4.640 -0.001 0.000 0.204 530 D C 1.721 178.040 176.300 0.033 0.000 0.982 530 D CA 1.089 55.156 54.000 0.111 0.000 0.857 530 D CB -0.228 40.654 40.800 0.137 0.000 0.934 530 D HN 0.614 nan 8.370 nan 0.000 0.475 531 W N 0.919 122.128 121.300 -0.152 0.000 2.379 531 W HA -0.153 4.507 4.660 -0.001 0.000 0.307 531 W C 2.369 178.721 176.519 -0.279 0.000 1.200 531 W CA 1.294 58.531 57.345 -0.179 0.000 1.297 531 W CB -0.294 29.035 29.460 -0.219 0.000 1.140 531 W HN 0.062 nan 8.180 nan 0.000 0.507 532 H N -0.784 118.241 119.070 -0.075 0.000 2.421 532 H HA -0.150 4.405 4.556 -0.001 0.000 0.298 532 H C 2.005 176.965 175.328 -0.614 0.000 1.087 532 H CA 1.882 57.584 56.048 -0.576 0.000 1.330 532 H CB -0.767 28.339 29.762 -1.094 0.000 1.388 532 H HN 0.171 nan 8.280 nan 0.000 0.526 533 F N 0.688 120.524 119.950 -0.190 0.000 2.186 533 F HA -0.014 4.512 4.527 -0.001 0.000 0.299 533 F C 2.714 178.354 175.800 -0.268 0.000 1.090 533 F CA 0.655 58.603 58.000 -0.086 0.000 1.307 533 F CB -0.861 38.136 39.000 -0.005 0.000 1.019 533 F HN 0.098 nan 8.300 nan 0.000 0.489 534 A N -0.192 122.455 122.820 -0.288 0.000 1.969 534 A HA -0.203 4.117 4.320 -0.001 0.000 0.218 534 A C 2.062 179.161 177.584 -0.809 0.000 1.169 534 A CA 1.745 53.383 52.037 -0.665 0.000 0.635 534 A CB -0.964 17.425 19.000 -1.018 0.000 0.810 534 A HN 0.382 nan 8.150 nan 0.000 0.445 535 N N -0.138 118.168 118.700 -0.656 0.000 2.188 535 N HA -0.065 4.674 4.740 -0.001 0.000 0.184 535 N C 1.533 177.067 175.510 0.041 0.000 1.018 535 N CA 1.172 54.092 53.050 -0.217 0.000 0.858 535 N CB -0.277 37.973 38.487 -0.395 0.000 0.989 535 N HN 0.447 nan 8.380 nan 0.000 0.426 536 L N 0.298 121.519 121.223 -0.005 0.000 2.156 536 L HA -0.023 4.316 4.340 -0.001 0.000 0.208 536 L C 1.539 178.403 176.870 -0.011 0.000 1.095 536 L CA 1.124 56.012 54.840 0.081 0.000 0.770 536 L CB -0.223 41.941 42.059 0.175 0.000 0.914 536 L HN 0.339 nan 8.230 nan 0.000 0.439 537 E N -0.722 119.428 120.200 -0.084 0.000 2.274 537 E HA -0.220 4.130 4.350 -0.001 0.000 0.194 537 E C 1.802 178.382 176.600 -0.033 0.000 0.996 537 E CA 0.857 57.182 56.400 -0.125 0.000 0.840 537 E CB 0.001 29.584 29.700 -0.196 0.000 0.772 537 E HN 0.430 nan 8.360 nan 0.000 0.491 538 F N 1.809 121.701 119.950 -0.096 0.000 2.098 538 F HA 0.004 4.530 4.527 -0.001 0.000 0.294 538 F C 2.176 178.075 175.800 0.165 0.000 1.107 538 F CA 1.315 59.358 58.000 0.070 0.000 1.234 538 F CB -0.833 38.341 39.000 0.290 0.000 1.002 538 F HN -0.084 nan 8.300 nan 0.000 0.472 539 A N 1.053 123.629 122.820 -0.406 0.000 1.892 539 A HA -0.251 4.068 4.320 -0.001 0.000 0.218 539 A C 2.027 179.605 177.584 -0.010 0.000 1.188 539 A CA 2.038 53.843 52.037 -0.387 0.000 0.631 539 A CB -1.164 17.771 19.000 -0.108 0.000 0.822 539 A HN 0.631 nan 8.150 nan 0.000 0.447 540 N N -0.640 118.089 118.700 0.048 0.000 2.461 540 N HA 0.186 4.925 4.740 -0.001 0.000 0.188 540 N C 0.788 176.295 175.510 -0.005 0.000 1.134 540 N CA 0.842 53.965 53.050 0.121 0.000 0.878 540 N CB 0.039 38.574 38.487 0.080 0.000 0.972 540 N HN 0.645 nan 8.380 nan 0.000 0.456 541 A N 0.535 123.293 122.820 -0.105 0.000 2.832 541 A HA -0.178 4.141 4.320 -0.001 0.000 0.280 541 A C 0.428 177.810 177.584 -0.336 0.000 1.464 541 A CA 1.624 53.462 52.037 -0.331 0.000 0.804 541 A CB -2.033 16.340 19.000 -1.045 0.000 1.020 541 A HN 0.356 nan 8.150 nan 0.000 0.563 542 T N -1.926 112.430 114.554 -0.329 0.000 2.957 542 T HA 0.557 4.907 4.350 -0.001 0.000 0.336 542 T C -3.350 171.130 174.700 -0.366 0.000 1.462 542 T CA -0.750 61.077 62.100 -0.456 0.000 1.073 542 T CB 1.491 69.708 68.868 -1.084 0.000 1.319 542 T HN 0.007 nan 8.240 nan 0.000 0.485 543 P HA 0.139 nan 4.420 nan 0.000 0.265 543 P C 0.753 177.893 177.300 -0.267 0.000 1.193 543 P CA -0.352 62.608 63.100 -0.232 0.000 0.765 543 P CB 0.387 31.985 31.700 -0.170 0.000 0.823 544 L N 3.055 124.124 121.223 -0.257 0.000 2.189 544 L HA -0.195 4.144 4.340 -0.001 0.000 0.214 544 L C 2.143 178.867 176.870 -0.243 0.000 1.097 544 L CA 2.088 56.754 54.840 -0.290 0.000 0.764 544 L CB -1.792 40.060 42.059 -0.345 0.000 0.900 544 L HN 0.404 nan 8.230 nan 0.000 0.436 545 S N -2.425 113.159 115.700 -0.193 0.000 2.507 545 S HA -0.113 4.356 4.470 -0.001 0.000 0.235 545 S C 1.757 176.301 174.600 -0.092 0.000 0.988 545 S CA 1.047 59.165 58.200 -0.137 0.000 0.944 545 S CB -0.761 62.375 63.200 -0.107 0.000 0.762 545 S HN 0.602 nan 8.310 nan 0.000 0.526 546 T N -0.752 113.739 114.554 -0.105 0.000 3.044 546 T HA 0.388 4.737 4.350 -0.001 0.000 0.250 546 T C 0.526 175.270 174.700 0.075 0.000 1.081 546 T CA -0.421 61.674 62.100 -0.009 0.000 1.040 546 T CB -0.451 68.406 68.868 -0.018 0.000 0.962 546 T HN 0.300 nan 8.240 nan 0.000 0.506 547 L N 2.621 123.826 121.223 -0.031 0.000 2.417 547 L HA 0.348 4.687 4.340 -0.001 0.000 0.268 547 L C 0.816 177.759 176.870 0.122 0.000 1.158 547 L CA -0.680 54.212 54.840 0.087 0.000 0.819 547 L CB 0.958 42.990 42.059 -0.044 0.000 1.112 547 L HN 0.198 nan 8.230 nan 0.000 0.458 548 S N 2.408 118.256 115.700 0.246 0.000 2.488 548 S HA 0.037 4.506 4.470 -0.001 0.000 0.278 548 S C 0.891 175.630 174.600 0.231 0.000 1.259 548 S CA -0.736 57.591 58.200 0.212 0.000 1.061 548 S CB 0.524 63.897 63.200 0.289 0.000 0.910 548 S HN 0.536 nan 8.310 nan 0.000 0.491 549 L N 5.983 127.259 121.223 0.088 0.000 2.012 549 L HA -0.025 4.314 4.340 -0.001 0.000 0.210 549 L C 2.300 179.266 176.870 0.160 0.000 1.073 549 L CA 2.129 57.022 54.840 0.089 0.000 0.748 549 L CB -0.733 41.273 42.059 -0.088 0.000 0.891 549 L HN 0.835 nan 8.230 nan 0.000 0.431 550 K N -1.948 118.441 120.400 -0.019 0.000 2.103 550 K HA -0.122 4.197 4.320 -0.001 0.000 0.204 550 K C 1.202 177.680 176.600 -0.203 0.000 1.052 550 K CA 1.384 57.572 56.287 -0.166 0.000 0.945 550 K CB -0.051 32.203 32.500 -0.410 0.000 0.722 550 K HN 0.577 nan 8.250 nan 0.000 0.443 551 H N -1.093 118.094 119.070 0.195 0.000 2.784 551 H HA 0.003 4.559 4.556 -0.001 0.000 0.273 551 H C 1.215 176.608 175.328 0.108 0.000 1.112 551 H CA -0.020 56.097 56.048 0.115 0.000 1.162 551 H CB 0.032 29.861 29.762 0.112 0.000 1.586 551 H HN 0.440 nan 8.280 nan 0.000 0.548 552 W N 2.658 124.064 121.300 0.176 0.000 2.342 552 W HA -0.133 4.526 4.660 -0.001 0.000 0.297 552 W C 0.042 176.642 176.519 0.135 0.000 1.213 552 W CA 1.252 58.693 57.345 0.160 0.000 1.251 552 W CB -0.594 28.934 29.460 0.112 0.000 1.136 552 W HN 0.113 nan 8.180 nan 0.000 0.526 553 D N 0.649 120.481 120.400 -0.947 0.000 2.525 553 D HA -0.081 4.558 4.640 -0.001 0.000 0.229 553 D C 1.884 177.945 176.300 -0.399 0.000 1.202 553 D CA -0.035 53.435 54.000 -0.883 0.000 0.828 553 D CB -0.454 39.425 40.800 -1.535 0.000 1.008 553 D HN 0.127 nan 8.370 nan 0.000 0.493 554 Q N 1.915 121.598 119.800 -0.196 0.000 2.290 554 Q HA -0.223 4.116 4.340 -0.001 0.000 0.211 554 Q C 0.474 176.434 176.000 -0.067 0.000 0.991 554 Q CA 1.920 57.685 55.803 -0.064 0.000 0.893 554 Q CB -0.046 28.719 28.738 0.045 0.000 0.913 554 Q HN 0.558 nan 8.270 nan 0.000 0.428 555 D N -1.956 118.384 120.400 -0.101 0.000 2.369 555 D HA -0.034 4.605 4.640 -0.001 0.000 0.211 555 D C 0.974 177.275 176.300 0.002 0.000 1.077 555 D CA 0.225 54.212 54.000 -0.022 0.000 0.842 555 D CB -0.336 40.363 40.800 -0.168 0.000 0.947 555 D HN 0.096 nan 8.370 nan 0.000 0.509 556 D N 1.457 121.790 120.400 -0.112 0.000 2.191 556 D HA -0.253 4.386 4.640 -0.001 0.000 0.195 556 D C 1.327 177.540 176.300 -0.144 0.000 1.003 556 D CA 1.537 55.460 54.000 -0.128 0.000 0.867 556 D CB -0.165 40.529 40.800 -0.177 0.000 0.926 556 D HN 0.106 nan 8.370 nan 0.000 0.450 557 D N -1.917 118.350 120.400 -0.222 0.000 2.351 557 D HA -0.131 4.508 4.640 -0.001 0.000 0.216 557 D C 0.661 176.569 176.300 -0.654 0.000 0.968 557 D CA 0.624 54.363 54.000 -0.435 0.000 0.899 557 D CB -0.079 40.372 40.800 -0.581 0.000 0.907 557 D HN 0.301 nan 8.370 nan 0.000 0.514 558 F N 0.440 120.260 119.950 -0.217 0.000 2.639 558 F HA 0.293 4.819 4.527 -0.001 0.000 0.302 558 F C 0.829 176.461 175.800 -0.281 0.000 1.097 558 F CA -0.481 57.360 58.000 -0.265 0.000 1.294 558 F CB -0.071 38.602 39.000 -0.546 0.000 1.027 558 F HN -0.266 nan 8.300 nan 0.000 0.550 559 E N 0.714 120.850 120.200 -0.106 0.000 2.437 559 E HA 0.027 4.376 4.350 -0.001 0.000 0.263 559 E C -0.522 176.037 176.600 -0.068 0.000 1.030 559 E CA 0.111 56.430 56.400 -0.134 0.000 0.934 559 E CB 0.576 30.275 29.700 -0.001 0.000 0.943 559 E HN -0.007 nan 8.360 nan 0.000 0.444 560 F N 0.418 120.441 119.950 0.122 0.000 2.370 560 F HA 0.156 4.683 4.527 -0.001 0.000 0.324 560 F C 1.205 177.095 175.800 0.151 0.000 1.116 560 F CA -0.884 57.172 58.000 0.093 0.000 1.123 560 F CB 0.739 39.742 39.000 0.005 0.000 1.238 560 F HN 0.253 nan 8.300 nan 0.000 0.536 561 T N -0.828 113.971 114.554 0.408 0.000 2.909 561 T HA 0.767 5.116 4.350 -0.001 0.000 0.286 561 T C 0.008 174.855 174.700 0.244 0.000 1.002 561 T CA 0.007 62.285 62.100 0.296 0.000 1.074 561 T CB 1.257 70.296 68.868 0.285 0.000 0.984 561 T HN 1.380 nan 8.240 nan 0.000 0.495 562 G N 1.304 110.216 108.800 0.187 0.000 2.423 562 G HA2 0.210 4.169 3.960 -0.001 0.000 0.684 562 G HA3 0.210 4.169 3.960 -0.001 0.000 0.684 562 G C -0.569 174.435 174.900 0.174 0.000 1.309 562 G CA -0.605 44.589 45.100 0.157 0.000 0.950 562 G HN 1.036 nan 8.290 nan 0.000 0.587 563 S N 0.125 115.912 115.700 0.144 0.000 2.580 563 S HA 0.452 4.921 4.470 -0.001 0.000 0.274 563 S C 0.359 175.121 174.600 0.269 0.000 1.329 563 S CA -0.337 57.952 58.200 0.148 0.000 1.036 563 S CB 0.551 63.817 63.200 0.109 0.000 0.919 563 S HN 0.587 nan 8.310 nan 0.000 0.515 564 H N 0.716 119.863 119.070 0.128 0.000 2.629 564 H HA 0.353 4.908 4.556 -0.001 0.000 0.357 564 H C -0.487 174.919 175.328 0.130 0.000 1.121 564 H CA -0.589 55.546 56.048 0.146 0.000 1.406 564 H CB 0.470 30.342 29.762 0.184 0.000 1.456 564 H HN 0.256 nan 8.280 nan 0.000 0.579 565 L N 0.880 122.233 121.223 0.218 0.000 2.235 565 L HA 0.467 4.807 4.340 -0.001 0.000 0.260 565 L C 0.350 177.293 176.870 0.121 0.000 1.025 565 L CA -0.616 54.308 54.840 0.140 0.000 0.836 565 L CB 1.801 43.903 42.059 0.071 0.000 1.395 565 L HN 0.498 nan 8.230 nan 0.000 0.443 566 T N -0.396 114.205 114.554 0.078 0.000 2.893 566 T HA 0.591 4.940 4.350 -0.001 0.000 0.291 566 T C -1.201 173.490 174.700 -0.014 0.000 1.028 566 T CA -0.405 61.726 62.100 0.051 0.000 0.995 566 T CB 1.774 70.701 68.868 0.097 0.000 1.051 566 T HN 0.244 nan 8.240 nan 0.000 0.470 567 V N 4.798 124.691 119.914 -0.035 0.000 2.304 567 V HA 0.274 4.394 4.120 -0.001 0.000 0.262 567 V C 1.501 177.664 176.094 0.115 0.000 1.061 567 V CA -0.445 61.836 62.300 -0.030 0.000 0.872 567 V CB 0.557 32.302 31.823 -0.130 0.000 1.077 567 V HN 0.739 nan 8.190 nan 0.000 0.480 568 R N 4.817 125.373 120.500 0.093 0.000 2.127 568 R HA -0.133 4.206 4.340 -0.001 0.000 0.238 568 R C 1.602 178.062 176.300 0.267 0.000 1.134 568 R CA 2.110 58.308 56.100 0.163 0.000 0.975 568 R CB 0.003 30.363 30.300 0.100 0.000 0.865 568 R HN 0.847 nan 8.270 nan 0.000 0.447 569 N N -0.686 118.118 118.700 0.174 0.000 2.238 569 N HA 0.142 4.881 4.740 -0.001 0.000 0.222 569 N C -0.473 175.116 175.510 0.131 0.000 1.133 569 N CA 0.589 53.724 53.050 0.142 0.000 0.854 569 N CB 0.563 39.100 38.487 0.084 0.000 1.041 569 N HN 0.252 nan 8.380 nan 0.000 0.510 570 G N 0.629 109.544 108.800 0.191 0.000 3.307 570 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.686 570 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.686 570 G C -0.231 174.796 174.900 0.212 0.000 0.983 570 G CA -0.360 44.847 45.100 0.178 0.000 0.804 570 G HN 0.354 nan 8.290 nan 0.000 0.531 571 Y N 1.677 122.041 120.300 0.106 0.000 2.497 571 Y HA -0.130 4.419 4.550 -0.001 0.000 0.292 571 Y C 2.875 178.814 175.900 0.066 0.000 1.137 571 Y CA 1.515 59.665 58.100 0.083 0.000 1.285 571 Y CB 0.236 38.744 38.460 0.080 0.000 0.991 571 Y HN 0.954 nan 8.280 nan 0.000 0.556 572 S N -0.682 115.158 115.700 0.234 0.000 2.469 572 S HA -0.234 4.235 4.470 -0.001 0.000 0.238 572 S C 1.961 176.633 174.600 0.119 0.000 0.998 572 S CA 0.902 59.182 58.200 0.134 0.000 0.957 572 S CB -1.605 61.652 63.200 0.095 0.000 0.764 572 S HN 0.667 nan 8.310 nan 0.000 0.514 573 C N 0.163 119.545 119.300 0.137 0.000 2.409 573 C HA 0.079 4.538 4.460 -0.001 0.000 0.284 573 C C 2.235 177.285 174.990 0.100 0.000 1.354 573 C CA 0.166 59.243 59.018 0.097 0.000 1.787 573 C CB -1.853 25.937 27.740 0.083 0.000 1.900 573 C HN 0.421 nan 8.230 nan 0.000 0.520 574 V N 3.065 123.071 119.914 0.154 0.000 2.239 574 V HA -0.061 4.058 4.120 -0.001 0.000 0.242 574 V C 0.662 176.801 176.094 0.075 0.000 1.038 574 V CA 2.553 64.937 62.300 0.141 0.000 1.002 574 V CB -1.684 30.287 31.823 0.246 0.000 0.641 574 V HN 0.334 nan 8.190 nan 0.000 0.449 575 P HA -0.099 nan 4.420 nan 0.000 0.218 575 P C 1.890 179.197 177.300 0.011 0.000 1.149 575 P CA 1.374 64.484 63.100 0.015 0.000 0.817 575 P CB -0.046 31.652 31.700 -0.004 0.000 0.785 576 V N 1.080 121.007 119.914 0.022 0.000 2.295 576 V HA -0.234 3.885 4.120 -0.001 0.000 0.246 576 V C 2.880 178.975 176.094 0.003 0.000 1.049 576 V CA 2.403 64.709 62.300 0.010 0.000 1.024 576 V CB -1.640 30.193 31.823 0.017 0.000 0.648 576 V HN 0.121 nan 8.190 nan 0.000 0.447 577 A N -0.645 122.182 122.820 0.013 0.000 1.969 577 A HA -0.074 4.245 4.320 -0.001 0.000 0.218 577 A C 2.125 179.703 177.584 -0.011 0.000 1.169 577 A CA 1.337 53.375 52.037 0.002 0.000 0.635 577 A CB -0.466 18.543 19.000 0.015 0.000 0.810 577 A HN 0.519 nan 8.150 nan 0.000 0.445 578 L N -0.944 120.278 121.223 -0.003 0.000 2.376 578 L HA -0.099 4.240 4.340 -0.001 0.000 0.219 578 L C 2.731 179.578 176.870 -0.039 0.000 1.133 578 L CA 0.659 55.489 54.840 -0.016 0.000 0.816 578 L CB -0.305 41.755 42.059 0.002 0.000 0.933 578 L HN 0.448 nan 8.230 nan 0.000 0.449 579 A N -0.844 121.955 122.820 -0.036 0.000 2.072 579 A HA -0.074 4.245 4.320 -0.001 0.000 0.216 579 A C 1.104 178.656 177.584 -0.054 0.000 1.156 579 A CA -0.096 51.913 52.037 -0.048 0.000 0.701 579 A CB -0.230 18.745 19.000 -0.040 0.000 0.816 579 A HN 0.344 nan 8.150 nan 0.000 0.458 580 E N -0.123 120.047 120.200 -0.051 0.000 2.694 580 E HA 0.183 4.532 4.350 -0.001 0.000 0.250 580 E C 1.234 177.795 176.600 -0.066 0.000 0.963 580 E CA 0.702 57.069 56.400 -0.054 0.000 0.949 580 E CB -0.133 29.535 29.700 -0.053 0.000 0.911 580 E HN 0.711 nan 8.360 nan 0.000 0.500 581 G N 3.686 112.451 108.800 -0.059 0.000 2.184 581 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.264 581 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.264 581 G C 0.206 175.066 174.900 -0.068 0.000 0.975 581 G CA 0.376 45.439 45.100 -0.061 0.000 0.642 581 G HN 0.468 nan 8.290 nan 0.000 0.536 582 L N 0.273 121.453 121.223 -0.072 0.000 2.379 582 L HA 0.500 4.839 4.340 -0.001 0.000 0.269 582 L C 0.179 177.003 176.870 -0.077 0.000 1.084 582 L CA -0.760 54.032 54.840 -0.080 0.000 0.802 582 L CB 1.186 43.193 42.059 -0.088 0.000 1.175 582 L HN 0.120 nan 8.230 nan 0.000 0.448 583 D N 2.724 123.073 120.400 -0.084 0.000 2.468 583 D HA 0.336 4.975 4.640 -0.001 0.000 0.218 583 D C -0.615 175.619 176.300 -0.111 0.000 1.155 583 D CA -0.062 53.887 54.000 -0.085 0.000 0.924 583 D CB 0.124 40.877 40.800 -0.077 0.000 1.029 583 D HN 0.194 nan 8.370 nan 0.000 0.515 584 I N 3.369 123.875 120.570 -0.107 0.000 2.339 584 I HA 0.253 4.422 4.170 -0.001 0.000 0.290 584 I C 0.350 176.384 176.117 -0.138 0.000 0.994 584 I CA -0.828 60.396 61.300 -0.127 0.000 1.191 584 I CB 1.431 39.368 38.000 -0.106 0.000 1.343 584 I HN 0.017 nan 8.210 nan 0.000 0.458 585 K N 7.163 127.453 120.400 -0.183 0.000 2.299 585 K HA 0.496 4.815 4.320 -0.001 0.000 0.268 585 K C -0.523 175.961 176.600 -0.195 0.000 1.075 585 K CA -0.394 55.774 56.287 -0.198 0.000 0.936 585 K CB 0.995 33.333 32.500 -0.270 0.000 1.228 585 K HN 0.481 nan 8.250 nan 0.000 0.454 586 L N 1.995 123.128 121.223 -0.150 0.000 2.479 586 L HA 0.119 4.458 4.340 -0.001 0.000 0.248 586 L C 0.522 177.308 176.870 -0.140 0.000 1.205 586 L CA -0.268 54.487 54.840 -0.142 0.000 0.817 586 L CB 0.122 42.121 42.059 -0.100 0.000 1.162 586 L HN 0.769 nan 8.230 nan 0.000 0.486 587 N N -1.269 117.348 118.700 -0.139 0.000 2.701 587 N HA -0.176 4.563 4.740 -0.001 0.000 0.250 587 N C -0.950 174.511 175.510 -0.082 0.000 1.046 587 N CA 0.706 53.697 53.050 -0.099 0.000 0.733 587 N CB -1.116 37.355 38.487 -0.026 0.000 0.973 587 N HN 0.548 nan 8.380 nan 0.000 0.541 588 T N -0.081 114.377 114.554 -0.161 0.000 2.934 588 T HA 0.608 4.957 4.350 -0.001 0.000 0.328 588 T C -0.033 174.570 174.700 -0.161 0.000 1.068 588 T CA -0.454 61.574 62.100 -0.119 0.000 1.018 588 T CB 1.304 70.036 68.868 -0.226 0.000 1.009 588 T HN 0.329 nan 8.240 nan 0.000 0.471 589 A N 3.502 126.270 122.820 -0.088 0.000 2.269 589 A HA 0.646 4.965 4.320 -0.001 0.000 0.302 589 A C 0.371 177.964 177.584 0.016 0.000 1.266 589 A CA -0.522 51.447 52.037 -0.113 0.000 0.894 589 A CB 0.278 19.284 19.000 0.010 0.000 1.147 589 A HN 0.671 nan 8.150 nan 0.000 0.537 590 V N 3.658 123.562 119.914 -0.018 0.000 2.572 590 V HA 0.126 4.245 4.120 -0.001 0.000 0.291 590 V C 1.268 177.375 176.094 0.022 0.000 1.039 590 V CA 0.540 62.843 62.300 0.006 0.000 1.055 590 V CB 0.919 32.717 31.823 -0.042 0.000 0.969 590 V HN 1.035 nan 8.190 nan 0.000 0.482 591 R N 1.844 122.354 120.500 0.017 0.000 2.369 591 R HA 0.266 4.605 4.340 -0.001 0.000 0.210 591 R C 0.419 176.677 176.300 -0.070 0.000 0.881 591 R CA 0.274 56.372 56.100 -0.003 0.000 1.031 591 R CB 0.487 30.803 30.300 0.027 0.000 1.184 591 R HN 0.808 nan 8.270 nan 0.000 0.581 592 Q N -0.152 119.601 119.800 -0.078 0.000 2.377 592 Q HA 0.492 4.832 4.340 -0.001 0.000 0.279 592 Q C -1.733 174.196 176.000 -0.120 0.000 1.049 592 Q CA -0.758 54.972 55.803 -0.123 0.000 0.825 592 Q CB 2.462 31.168 28.738 -0.053 0.000 1.401 592 Q HN -0.068 nan 8.270 nan 0.000 0.404 593 V N 3.867 123.679 119.914 -0.171 0.000 2.447 593 V HA 0.514 4.633 4.120 -0.001 0.000 0.292 593 V C -0.964 175.233 176.094 0.171 0.000 1.021 593 V CA -0.624 61.658 62.300 -0.030 0.000 0.850 593 V CB 1.614 33.374 31.823 -0.105 0.000 1.005 593 V HN 0.712 nan 8.190 nan 0.000 0.426 594 R N 4.753 125.354 120.500 0.168 0.000 2.393 594 R HA 0.701 5.040 4.340 -0.001 0.000 0.310 594 R C -1.457 174.987 176.300 0.239 0.000 0.968 594 R CA -0.688 55.502 56.100 0.150 0.000 0.867 594 R CB 1.638 31.967 30.300 0.048 0.000 1.124 594 R HN 0.745 nan 8.270 nan 0.000 0.450 595 Y N -1.131 119.211 120.300 0.071 0.000 2.373 595 Y HA 0.575 5.125 4.550 -0.001 0.000 0.336 595 Y C -0.455 175.480 175.900 0.057 0.000 0.979 595 Y CA -1.296 56.845 58.100 0.067 0.000 1.080 595 Y CB 1.406 39.907 38.460 0.069 0.000 1.190 595 Y HN 0.641 nan 8.280 nan 0.000 0.446 596 T N -1.173 113.414 114.554 0.056 0.000 2.926 596 T HA 0.696 5.045 4.350 -0.001 0.000 0.289 596 T C 0.945 175.687 174.700 0.069 0.000 1.054 596 T CA -0.539 61.560 62.100 -0.001 0.000 1.015 596 T CB 1.630 70.496 68.868 -0.003 0.000 1.167 596 T HN 1.027 nan 8.240 nan 0.000 0.526 597 A N 0.667 123.514 122.820 0.044 0.000 2.234 597 A HA 0.154 4.473 4.320 -0.001 0.000 0.216 597 A C 1.681 179.305 177.584 0.067 0.000 1.167 597 A CA 1.229 53.302 52.037 0.059 0.000 0.698 597 A CB -1.026 17.995 19.000 0.036 0.000 0.779 597 A HN 1.356 nan 8.150 nan 0.000 0.475 598 S N -2.696 113.045 115.700 0.069 0.000 2.977 598 S HA 0.555 5.024 4.470 -0.001 0.000 0.250 598 S C 0.292 174.947 174.600 0.091 0.000 1.005 598 S CA 0.271 58.515 58.200 0.073 0.000 1.081 598 S CB -0.178 63.051 63.200 0.049 0.000 1.018 598 S HN 1.793 nan 8.310 nan 0.000 0.539 599 G N -0.143 108.728 108.800 0.119 0.000 2.359 599 G HA2 0.352 4.311 3.960 -0.001 0.000 0.314 599 G HA3 0.352 4.311 3.960 -0.001 0.000 0.314 599 G C -1.382 173.598 174.900 0.133 0.000 1.364 599 G CA -0.312 44.864 45.100 0.126 0.000 0.978 599 G HN 0.586 nan 8.290 nan 0.000 0.615 600 C N -0.295 119.079 119.300 0.124 0.000 2.797 600 C HA 0.846 5.305 4.460 -0.001 0.000 0.306 600 C C -0.284 174.768 174.990 0.105 0.000 1.207 600 C CA -0.660 58.438 59.018 0.134 0.000 1.507 600 C CB 1.808 29.635 27.740 0.144 0.000 2.028 600 C HN 0.778 nan 8.230 nan 0.000 0.475 601 E N 1.011 121.275 120.200 0.106 0.000 2.256 601 E HA 0.580 4.929 4.350 -0.001 0.000 0.268 601 E C -1.526 175.132 176.600 0.098 0.000 0.877 601 E CA -0.383 56.072 56.400 0.093 0.000 0.757 601 E CB 2.270 32.010 29.700 0.067 0.000 1.183 601 E HN 0.413 nan 8.360 nan 0.000 0.418 602 V N 4.486 124.473 119.914 0.122 0.000 2.409 602 V HA 0.361 4.481 4.120 -0.001 0.000 0.291 602 V C -0.505 175.686 176.094 0.162 0.000 1.020 602 V CA -0.705 61.662 62.300 0.111 0.000 0.848 602 V CB 1.116 32.988 31.823 0.082 0.000 0.990 602 V HN 0.546 nan 8.190 nan 0.000 0.430 603 I N 4.542 125.174 120.570 0.102 0.000 2.336 603 I HA 0.773 4.942 4.170 -0.001 0.000 0.292 603 I C 0.459 176.658 176.117 0.137 0.000 0.991 603 I CA 0.300 61.672 61.300 0.119 0.000 1.227 603 I CB 1.612 39.644 38.000 0.054 0.000 1.366 603 I HN 0.743 nan 8.210 nan 0.000 0.466 604 A N 5.395 128.357 122.820 0.237 0.000 2.485 604 A HA 0.966 5.285 4.320 -0.001 0.000 0.292 604 A C -0.996 176.777 177.584 0.315 0.000 1.147 604 A CA -0.619 51.566 52.037 0.247 0.000 0.750 604 A CB 1.982 21.142 19.000 0.267 0.000 1.331 604 A HN 0.798 nan 8.150 nan 0.000 0.419 605 V N -0.444 119.633 119.914 0.271 0.000 2.876 605 V HA 0.621 4.740 4.120 -0.001 0.000 0.312 605 V C -0.408 175.873 176.094 0.313 0.000 1.085 605 V CA -1.070 61.363 62.300 0.221 0.000 0.945 605 V CB 1.872 33.753 31.823 0.097 0.000 1.017 605 V HN 0.919 nan 8.190 nan 0.000 0.428 606 N N 2.556 121.464 118.700 0.346 0.000 2.483 606 N HA 0.084 4.823 4.740 -0.001 0.000 0.264 606 N C 1.166 176.779 175.510 0.171 0.000 1.197 606 N CA 0.838 54.089 53.050 0.336 0.000 0.927 606 N CB 1.825 40.479 38.487 0.279 0.000 1.065 606 N HN 1.109 nan 8.380 nan 0.000 0.461 607 T N 0.928 115.564 114.554 0.137 0.000 3.129 607 T HA 0.178 4.527 4.350 -0.001 0.000 0.251 607 T C 1.239 176.007 174.700 0.114 0.000 1.117 607 T CA 0.313 62.497 62.100 0.140 0.000 1.034 607 T CB 0.185 69.149 68.868 0.159 0.000 0.968 607 T HN 0.383 nan 8.240 nan 0.000 0.526 608 R N 0.644 121.202 120.500 0.096 0.000 2.282 608 R HA 0.332 4.671 4.340 -0.001 0.000 0.195 608 R C 0.073 176.408 176.300 0.059 0.000 0.909 608 R CA 0.139 56.283 56.100 0.073 0.000 1.039 608 R CB 0.554 30.893 30.300 0.065 0.000 1.015 608 R HN 0.284 nan 8.270 nan 0.000 0.513 609 S N 0.169 115.905 115.700 0.061 0.000 2.592 609 S HA 0.024 4.493 4.470 -0.001 0.000 0.151 609 S C 0.566 175.179 174.600 0.021 0.000 1.280 609 S CA -0.352 57.867 58.200 0.032 0.000 1.187 609 S CB 1.242 64.454 63.200 0.019 0.000 1.471 609 S HN 0.280 nan 8.310 nan 0.000 0.409 610 T N -0.592 113.981 114.554 0.032 0.000 3.093 610 T HA -0.169 4.181 4.350 -0.001 0.000 0.270 610 T C 2.003 176.695 174.700 -0.014 0.000 1.170 610 T CA 1.502 63.618 62.100 0.026 0.000 1.072 610 T CB -0.521 68.370 68.868 0.038 0.000 0.863 610 T HN 0.570 nan 8.240 nan 0.000 0.562 611 S N 2.090 117.773 115.700 -0.028 0.000 2.335 611 S HA -0.150 4.319 4.470 -0.001 0.000 0.216 611 S C 1.172 175.713 174.600 -0.098 0.000 1.032 611 S CA 0.205 58.374 58.200 -0.050 0.000 1.000 611 S CB -0.783 62.391 63.200 -0.043 0.000 0.928 611 S HN 0.888 nan 8.310 nan 0.000 0.434 612 Q N 2.354 122.068 119.800 -0.143 0.000 2.304 612 Q HA 0.477 4.817 4.340 -0.001 0.000 0.260 612 Q C -0.012 175.727 176.000 -0.435 0.000 0.965 612 Q CA -0.255 55.378 55.803 -0.284 0.000 0.898 612 Q CB 0.490 29.035 28.738 -0.323 0.000 1.196 612 Q HN 0.488 nan 8.270 nan 0.000 0.402 613 T N -0.434 113.832 114.554 -0.479 0.000 2.919 613 T HA 0.767 5.116 4.350 -0.001 0.000 0.282 613 T C -0.671 173.573 174.700 -0.760 0.000 1.020 613 T CA -0.700 61.134 62.100 -0.443 0.000 0.994 613 T CB 0.817 69.582 68.868 -0.172 0.000 1.180 613 T HN 0.493 nan 8.240 nan 0.000 0.566 614 F N -0.876 119.050 119.950 -0.040 0.000 2.601 614 F HA 0.679 5.205 4.527 -0.001 0.000 0.309 614 F C -0.619 175.084 175.800 -0.162 0.000 1.089 614 F CA -1.274 56.631 58.000 -0.158 0.000 0.940 614 F CB 2.054 40.980 39.000 -0.123 0.000 1.273 614 F HN 0.483 nan 8.300 nan 0.000 0.450 615 I N 2.743 123.239 120.570 -0.124 0.000 2.468 615 I HA 0.302 4.472 4.170 -0.001 0.000 0.284 615 I C -1.565 174.448 176.117 -0.172 0.000 1.038 615 I CA -0.649 60.614 61.300 -0.061 0.000 1.083 615 I CB 1.444 39.419 38.000 -0.042 0.000 1.223 615 I HN 0.487 nan 8.210 nan 0.000 0.443 616 Y N 5.562 125.892 120.300 0.050 0.000 2.342 616 Y HA 0.410 4.960 4.550 -0.000 0.000 0.338 616 Y C 0.251 176.161 175.900 0.017 0.000 0.965 616 Y CA -0.703 57.411 58.100 0.023 0.000 1.159 616 Y CB 1.258 39.716 38.460 -0.003 0.000 1.157 616 Y HN 0.344 nan 8.280 nan 0.000 0.486 617 K N 3.628 124.108 120.400 0.133 0.000 2.144 617 K HA 0.742 5.061 4.320 -0.001 0.000 0.270 617 K C -0.653 175.999 176.600 0.087 0.000 1.005 617 K CA -0.501 55.841 56.287 0.091 0.000 0.932 617 K CB 1.027 33.561 32.500 0.057 0.000 1.021 617 K HN 0.851 nan 8.250 nan 0.000 0.462 618 C N -1.559 117.783 119.300 0.069 0.000 3.231 618 C HA 0.260 4.719 4.460 -0.001 0.000 0.343 618 C C 0.394 175.413 174.990 0.048 0.000 1.349 618 C CA -0.926 58.116 59.018 0.039 0.000 1.209 618 C CB 0.756 28.501 27.740 0.009 0.000 1.475 618 C HN 0.886 nan 8.230 nan 0.000 0.460 619 D N 0.969 121.377 120.400 0.013 0.000 2.249 619 D HA 0.318 4.957 4.640 -0.001 0.000 0.205 619 D C 0.721 177.045 176.300 0.041 0.000 0.962 619 D CA 1.650 55.697 54.000 0.077 0.000 0.860 619 D CB 0.507 41.367 40.800 0.100 0.000 0.955 619 D HN 1.074 nan 8.370 nan 0.000 0.505 620 A N 0.556 123.304 122.820 -0.119 0.000 2.517 620 A HA 0.492 4.811 4.320 -0.001 0.000 0.297 620 A C -1.090 176.480 177.584 -0.024 0.000 1.050 620 A CA -0.602 51.411 52.037 -0.040 0.000 0.694 620 A CB 1.826 20.628 19.000 -0.329 0.000 1.277 620 A HN -0.083 nan 8.150 nan 0.000 0.400 621 V N 2.222 122.176 119.914 0.066 0.000 2.435 621 V HA 0.557 4.676 4.120 -0.001 0.000 0.290 621 V C -0.681 175.417 176.094 0.006 0.000 1.030 621 V CA -0.522 61.776 62.300 -0.003 0.000 0.881 621 V CB 1.450 33.265 31.823 -0.014 0.000 0.983 621 V HN 0.836 nan 8.190 nan 0.000 0.445 622 L N 6.094 127.282 121.223 -0.058 0.000 2.301 622 L HA 0.527 4.867 4.340 -0.001 0.000 0.278 622 L C -0.268 176.533 176.870 -0.115 0.000 1.022 622 L CA -0.133 54.665 54.840 -0.070 0.000 0.854 622 L CB 0.720 42.726 42.059 -0.088 0.000 1.226 622 L HN 0.822 nan 8.230 nan 0.000 0.429 623 C N 4.340 123.504 119.300 -0.227 0.000 2.322 623 C HA 0.482 4.942 4.460 -0.001 0.000 0.343 623 C C 1.549 176.566 174.990 0.045 0.000 1.190 623 C CA 0.248 59.187 59.018 -0.132 0.000 1.704 623 C CB -0.926 26.641 27.740 -0.289 0.000 2.293 623 C HN 0.946 nan 8.230 nan 0.000 0.523 624 T N 4.191 118.791 114.554 0.077 0.000 3.243 624 T HA 0.273 4.622 4.350 -0.001 0.000 0.264 624 T C 0.258 175.066 174.700 0.181 0.000 1.000 624 T CA -0.337 61.850 62.100 0.145 0.000 0.901 624 T CB -0.449 68.463 68.868 0.074 0.000 1.083 624 T HN 0.647 nan 8.240 nan 0.000 0.559 625 L N 1.936 123.269 121.223 0.183 0.000 2.485 625 L HA 0.288 4.627 4.340 -0.001 0.000 0.275 625 L C -2.101 174.785 176.870 0.027 0.000 1.207 625 L CA -1.869 53.047 54.840 0.126 0.000 0.855 625 L CB 0.111 42.261 42.059 0.152 0.000 1.114 625 L HN 0.068 nan 8.230 nan 0.000 0.485 626 P HA -0.026 nan 4.420 nan 0.000 0.271 626 P C 0.393 177.304 177.300 -0.649 0.000 1.218 626 P CA -0.463 62.465 63.100 -0.286 0.000 0.780 626 P CB 0.692 32.339 31.700 -0.089 0.000 0.901 627 L N 3.456 124.030 121.223 -1.082 0.000 2.189 627 L HA -0.105 4.234 4.340 -0.001 0.000 0.214 627 L C 2.017 178.300 176.870 -0.979 0.000 1.097 627 L CA 2.423 56.691 54.840 -0.953 0.000 0.764 627 L CB -1.538 40.107 42.059 -0.691 0.000 0.900 627 L HN 0.505 nan 8.230 nan 0.000 0.436 628 G N -1.268 106.564 108.800 -1.613 0.000 2.422 628 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.218 628 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.218 628 G C 1.467 176.147 174.900 -0.366 0.000 1.146 628 G CA 0.997 45.516 45.100 -0.969 0.000 0.769 628 G HN 0.353 nan 8.290 nan 0.000 0.547 629 V N 0.885 120.632 119.914 -0.279 0.000 2.379 629 V HA -0.031 4.088 4.120 -0.001 0.000 0.245 629 V C 2.849 178.898 176.094 -0.075 0.000 1.044 629 V CA 1.106 63.350 62.300 -0.094 0.000 1.036 629 V CB -0.382 31.445 31.823 0.006 0.000 0.664 629 V HN 0.330 nan 8.190 nan 0.000 0.453 630 L N -0.312 120.843 121.223 -0.113 0.000 2.187 630 L HA -0.198 4.141 4.340 -0.001 0.000 0.213 630 L C 2.378 179.203 176.870 -0.075 0.000 1.100 630 L CA 1.588 56.401 54.840 -0.044 0.000 0.765 630 L CB -0.577 41.433 42.059 -0.081 0.000 0.904 630 L HN 0.321 nan 8.230 nan 0.000 0.437 631 K N -0.464 119.853 120.400 -0.139 0.000 2.365 631 K HA -0.036 4.283 4.320 -0.001 0.000 0.197 631 K C 0.848 177.412 176.600 -0.061 0.000 1.042 631 K CA -0.088 56.136 56.287 -0.105 0.000 0.987 631 K CB 0.085 32.510 32.500 -0.125 0.000 0.779 631 K HN 0.237 nan 8.250 nan 0.000 0.484 632 Q N 1.710 121.477 119.800 -0.055 0.000 2.304 632 Q HA -0.110 4.229 4.340 -0.001 0.000 0.315 632 Q C -0.764 175.226 176.000 -0.017 0.000 1.075 632 Q CA 0.757 56.541 55.803 -0.032 0.000 0.988 632 Q CB 0.477 29.198 28.738 -0.028 0.000 1.146 632 Q HN 0.018 nan 8.270 nan 0.000 0.383 633 Q N 4.372 124.162 119.800 -0.016 0.000 2.290 633 Q HA 0.411 4.750 4.340 -0.001 0.000 0.269 633 Q C -2.272 173.720 176.000 -0.013 0.000 1.016 633 Q CA -1.753 54.043 55.803 -0.011 0.000 0.754 633 Q CB 1.630 30.360 28.738 -0.012 0.000 1.247 633 Q HN 0.628 nan 8.270 nan 0.000 0.451 634 P HA 0.232 nan 4.420 nan 0.000 0.272 634 P C -2.466 174.833 177.300 -0.003 0.000 1.223 634 P CA -1.018 62.079 63.100 -0.006 0.000 0.784 634 P CB -0.106 31.590 31.700 -0.007 0.000 0.923 635 P HA -0.071 nan 4.420 nan 0.000 0.264 635 P C -0.037 177.269 177.300 0.009 0.000 1.183 635 P CA 0.278 63.389 63.100 0.019 0.000 0.763 635 P CB 0.726 32.451 31.700 0.040 0.000 0.807 636 A N 4.121 126.950 122.820 0.015 0.000 1.930 636 A HA 0.086 4.405 4.320 -0.001 0.000 0.215 636 A C 1.095 178.687 177.584 0.014 0.000 1.176 636 A CA 1.487 53.537 52.037 0.022 0.000 0.632 636 A CB -0.422 18.604 19.000 0.043 0.000 0.819 636 A HN 0.552 nan 8.150 nan 0.000 0.445 637 V N -1.657 118.243 119.914 -0.025 0.000 2.823 637 V HA 0.601 4.720 4.120 -0.001 0.000 0.312 637 V C -0.904 175.053 176.094 -0.228 0.000 1.072 637 V CA -0.887 61.333 62.300 -0.134 0.000 0.937 637 V CB 1.697 33.401 31.823 -0.198 0.000 1.013 637 V HN 0.450 nan 8.190 nan 0.000 0.430 638 Q N 2.744 122.384 119.800 -0.268 0.000 2.274 638 Q HA 0.564 4.903 4.340 -0.001 0.000 0.260 638 Q C -1.938 173.841 176.000 -0.369 0.000 0.974 638 Q CA -0.674 55.009 55.803 -0.200 0.000 0.876 638 Q CB 1.810 30.505 28.738 -0.071 0.000 1.297 638 Q HN 0.789 nan 8.270 nan 0.000 0.446 639 F N 2.095 122.096 119.950 0.086 0.000 2.427 639 F HA 0.422 4.948 4.527 -0.001 0.000 0.346 639 F C -0.477 175.412 175.800 0.148 0.000 1.120 639 F CA -0.663 57.434 58.000 0.162 0.000 1.033 639 F CB 1.839 40.944 39.000 0.175 0.000 1.126 639 F HN 0.196 nan 8.300 nan 0.000 0.462 640 V N 5.141 125.226 119.914 0.285 0.000 2.380 640 V HA 0.354 4.473 4.120 -0.001 0.000 0.286 640 V C -2.292 173.618 176.094 -0.306 0.000 1.015 640 V CA -2.083 60.241 62.300 0.039 0.000 0.834 640 V CB 1.297 33.119 31.823 -0.002 0.000 1.009 640 V HN 0.491 nan 8.190 nan 0.000 0.428 641 P HA 0.260 nan 4.420 nan 0.000 0.272 641 P C -2.692 174.691 177.300 0.137 0.000 1.254 641 P CA -1.291 61.729 63.100 -0.133 0.000 0.795 641 P CB -0.200 31.403 31.700 -0.162 0.000 1.022 642 P HA 0.138 nan 4.420 nan 0.000 0.274 642 P C -0.317 177.056 177.300 0.121 0.000 1.237 642 P CA -0.006 63.187 63.100 0.155 0.000 0.793 642 P CB 0.297 32.036 31.700 0.067 0.000 0.977 643 L N 2.921 124.152 121.223 0.013 0.000 2.467 643 L HA 0.211 4.550 4.340 -0.001 0.000 0.270 643 L C -1.743 174.968 176.870 -0.264 0.000 1.205 643 L CA -1.672 53.048 54.840 -0.201 0.000 0.828 643 L CB -0.553 41.246 42.059 -0.433 0.000 1.101 643 L HN 0.284 nan 8.230 nan 0.000 0.479 644 P HA -0.061 nan 4.420 nan 0.000 0.270 644 P C 0.397 177.383 177.300 -0.522 0.000 1.227 644 P CA -0.233 62.554 63.100 -0.520 0.000 0.788 644 P CB 0.511 31.613 31.700 -0.995 0.000 0.926 645 E N 1.538 121.556 120.200 -0.304 0.000 2.106 645 E HA -0.132 4.217 4.350 -0.001 0.000 0.192 645 E C 1.584 178.091 176.600 -0.154 0.000 0.984 645 E CA 1.378 57.676 56.400 -0.171 0.000 0.806 645 E CB -0.335 29.339 29.700 -0.044 0.000 0.750 645 E HN 0.648 nan 8.360 nan 0.000 0.458 646 W N 1.176 122.436 121.300 -0.068 0.000 2.465 646 W HA -0.072 4.587 4.660 -0.001 0.000 0.268 646 W C 1.608 178.054 176.519 -0.121 0.000 1.242 646 W CA 0.896 58.191 57.345 -0.084 0.000 1.248 646 W CB -0.504 28.912 29.460 -0.074 0.000 1.118 646 W HN -0.008 nan 8.180 nan 0.000 0.587 647 K N 2.054 122.036 120.400 -0.697 0.000 2.099 647 K HA -0.081 4.238 4.320 -0.001 0.000 0.203 647 K C 2.409 178.773 176.600 -0.393 0.000 1.047 647 K CA 2.752 58.642 56.287 -0.661 0.000 0.963 647 K CB -0.849 30.971 32.500 -1.134 0.000 0.759 647 K HN 0.044 nan 8.250 nan 0.000 0.451 648 T N -1.349 112.989 114.554 -0.360 0.000 2.867 648 T HA -0.136 4.214 4.350 -0.001 0.000 0.268 648 T C 2.014 176.620 174.700 -0.156 0.000 1.057 648 T CA 1.477 63.438 62.100 -0.233 0.000 1.136 648 T CB -0.695 68.062 68.868 -0.186 0.000 0.874 648 T HN 0.271 nan 8.240 nan 0.000 0.466 649 S N 2.604 118.230 115.700 -0.124 0.000 2.368 649 S HA 0.095 4.565 4.470 -0.001 0.000 0.224 649 S C 2.505 177.057 174.600 -0.080 0.000 1.029 649 S CA 0.794 58.950 58.200 -0.073 0.000 0.988 649 S CB -1.050 62.132 63.200 -0.030 0.000 0.838 649 S HN 0.738 nan 8.310 nan 0.000 0.462 650 A N 1.764 124.533 122.820 -0.085 0.000 1.877 650 A HA 0.027 4.346 4.320 -0.001 0.000 0.216 650 A C 2.446 179.941 177.584 -0.148 0.000 1.186 650 A CA 1.752 53.727 52.037 -0.104 0.000 0.620 650 A CB -1.292 17.657 19.000 -0.086 0.000 0.822 650 A HN 0.446 nan 8.150 nan 0.000 0.443 651 V N 0.025 119.838 119.914 -0.168 0.000 2.392 651 V HA -0.345 3.775 4.120 -0.001 0.000 0.249 651 V C 2.634 178.644 176.094 -0.141 0.000 1.059 651 V CA 2.395 64.593 62.300 -0.170 0.000 1.051 651 V CB -0.896 30.818 31.823 -0.181 0.000 0.658 651 V HN 0.671 nan 8.190 nan 0.000 0.455 652 Q N -0.866 118.864 119.800 -0.115 0.000 2.123 652 Q HA -0.104 4.235 4.340 -0.001 0.000 0.199 652 Q C 2.507 178.456 176.000 -0.085 0.000 0.966 652 Q CA 1.077 56.827 55.803 -0.088 0.000 0.845 652 Q CB -0.142 28.555 28.738 -0.068 0.000 0.907 652 Q HN 0.566 nan 8.270 nan 0.000 0.439 653 R N 0.158 120.603 120.500 -0.093 0.000 2.066 653 R HA 0.024 4.363 4.340 -0.001 0.000 0.232 653 R C 0.803 177.027 176.300 -0.126 0.000 1.131 653 R CA 0.493 56.541 56.100 -0.087 0.000 0.955 653 R CB -0.163 30.090 30.300 -0.078 0.000 0.851 653 R HN 0.248 nan 8.270 nan 0.000 0.432 654 M N 0.595 120.087 119.600 -0.179 0.000 2.246 654 M HA -0.026 4.453 4.480 -0.001 0.000 0.327 654 M C 0.752 176.874 176.300 -0.297 0.000 1.090 654 M CA 0.329 55.477 55.300 -0.253 0.000 1.087 654 M CB 0.400 32.822 32.600 -0.296 0.000 1.587 654 M HN 0.142 nan 8.290 nan 0.000 0.444 655 G N 1.732 110.202 108.800 -0.550 0.000 2.400 655 G HA2 0.569 4.528 3.960 -0.001 0.000 0.301 655 G HA3 0.569 4.528 3.960 -0.001 0.000 0.301 655 G C -1.747 172.801 174.900 -0.587 0.000 1.154 655 G CA -0.351 44.116 45.100 -1.054 0.000 0.852 655 G HN 0.575 nan 8.290 nan 0.000 0.511 656 F N 1.918 121.665 119.950 -0.339 0.000 2.577 656 F HA 0.580 5.106 4.527 -0.001 0.000 0.344 656 F C 0.647 176.550 175.800 0.172 0.000 1.145 656 F CA -0.879 57.094 58.000 -0.045 0.000 0.996 656 F CB 1.268 40.236 39.000 -0.052 0.000 1.248 656 F HN 0.692 nan 8.300 nan 0.000 0.447 657 G N 3.507 112.235 108.800 -0.121 0.000 2.516 657 G HA2 0.243 4.202 3.960 -0.001 0.000 0.276 657 G HA3 0.243 4.202 3.960 -0.001 0.000 0.276 657 G C -1.206 173.458 174.900 -0.393 0.000 1.390 657 G CA -0.642 44.352 45.100 -0.177 0.000 1.050 657 G HN 0.693 nan 8.290 nan 0.000 0.519 658 N N -2.023 116.491 118.700 -0.309 0.000 2.405 658 N HA 0.480 5.219 4.740 -0.001 0.000 0.274 658 N C -2.279 173.133 175.510 -0.164 0.000 1.170 658 N CA -0.643 52.285 53.050 -0.203 0.000 0.848 658 N CB 2.310 40.766 38.487 -0.051 0.000 1.629 658 N HN 0.415 nan 8.380 nan 0.000 0.481 659 L N 2.339 123.522 121.223 -0.067 0.000 2.549 659 L HA 0.585 4.925 4.340 -0.001 0.000 0.259 659 L C -1.960 175.020 176.870 0.182 0.000 0.934 659 L CA -0.488 54.379 54.840 0.045 0.000 0.865 659 L CB 2.003 44.093 42.059 0.052 0.000 1.352 659 L HN 0.617 nan 8.230 nan 0.000 0.410 660 N N 2.857 121.660 118.700 0.172 0.000 2.405 660 N HA 0.645 5.384 4.740 -0.001 0.000 0.285 660 N C -1.524 174.044 175.510 0.097 0.000 1.262 660 N CA -0.736 52.431 53.050 0.196 0.000 0.773 660 N CB 2.653 41.207 38.487 0.112 0.000 1.490 660 N HN 0.548 nan 8.380 nan 0.000 0.486 661 K N 0.119 120.560 120.400 0.069 0.000 2.435 661 K HA 0.642 4.961 4.320 -0.001 0.000 0.251 661 K C -1.238 175.324 176.600 -0.063 0.000 0.954 661 K CA -0.798 55.474 56.287 -0.023 0.000 0.820 661 K CB 2.583 35.071 32.500 -0.020 0.000 1.292 661 K HN 0.105 nan 8.250 nan 0.000 0.436 662 V N 2.178 122.028 119.914 -0.108 0.000 2.444 662 V HA 0.255 4.374 4.120 -0.001 0.000 0.294 662 V C -0.629 175.386 176.094 -0.132 0.000 1.022 662 V CA -0.945 61.283 62.300 -0.120 0.000 0.850 662 V CB 1.678 33.436 31.823 -0.109 0.000 0.992 662 V HN 0.470 nan 8.190 nan 0.000 0.426 663 V N 6.916 126.729 119.914 -0.169 0.000 2.385 663 V HA 0.391 4.510 4.120 -0.001 0.000 0.269 663 V C -0.050 175.901 176.094 -0.239 0.000 1.043 663 V CA -0.297 61.892 62.300 -0.185 0.000 0.906 663 V CB 1.218 32.884 31.823 -0.262 0.000 0.995 663 V HN 0.622 nan 8.190 nan 0.000 0.467 664 L N 5.124 126.217 121.223 -0.216 0.000 2.276 664 L HA 0.442 4.781 4.340 -0.001 0.000 0.286 664 L C -0.490 176.053 176.870 -0.545 0.000 1.024 664 L CA -0.200 54.401 54.840 -0.397 0.000 0.826 664 L CB 1.240 43.112 42.059 -0.313 0.000 1.211 664 L HN 0.585 nan 8.230 nan 0.000 0.422 665 C N 3.831 122.776 119.300 -0.591 0.000 2.239 665 C HA 0.565 5.024 4.460 -0.001 0.000 0.325 665 C C 0.241 174.958 174.990 -0.456 0.000 1.231 665 C CA -0.681 58.012 59.018 -0.541 0.000 1.652 665 C CB -0.833 26.445 27.740 -0.771 0.000 2.284 665 C HN 0.469 nan 8.230 nan 0.000 0.499 666 F N 1.965 121.999 119.950 0.140 0.000 2.525 666 F HA 0.418 4.945 4.527 -0.001 0.000 0.346 666 F C 1.347 177.322 175.800 0.292 0.000 1.072 666 F CA -0.763 57.386 58.000 0.248 0.000 1.033 666 F CB 0.819 40.073 39.000 0.423 0.000 1.324 666 F HN 0.523 nan 8.300 nan 0.000 0.491 667 D N -1.171 119.513 120.400 0.473 0.000 2.433 667 D HA 0.151 4.791 4.640 -0.001 0.000 0.211 667 D C -0.025 176.407 176.300 0.220 0.000 1.114 667 D CA 0.120 54.315 54.000 0.326 0.000 0.837 667 D CB 0.230 41.173 40.800 0.239 0.000 0.984 667 D HN 0.404 nan 8.370 nan 0.000 0.505 668 R N -0.355 120.274 120.500 0.216 0.000 2.698 668 R HA 0.572 4.911 4.340 -0.001 0.000 0.275 668 R C -1.496 174.724 176.300 -0.133 0.000 1.001 668 R CA -0.944 55.180 56.100 0.039 0.000 0.896 668 R CB 2.847 33.163 30.300 0.026 0.000 1.218 668 R HN -0.180 nan 8.270 nan 0.000 0.462 669 V N 3.994 123.645 119.914 -0.438 0.000 2.348 669 V HA 0.196 4.315 4.120 -0.001 0.000 0.270 669 V C 0.130 175.662 176.094 -0.936 0.000 1.037 669 V CA -0.155 61.427 62.300 -1.196 0.000 0.872 669 V CB 0.470 31.575 31.823 -1.196 0.000 1.002 669 V HN 0.763 nan 8.190 nan 0.000 0.464 670 F N 2.399 121.818 119.950 -0.886 0.000 2.678 670 F HA 0.453 4.979 4.527 -0.001 0.000 0.305 670 F C 0.426 175.799 175.800 -0.711 0.000 1.090 670 F CA -1.316 56.323 58.000 -0.603 0.000 1.272 670 F CB -0.420 38.295 39.000 -0.476 0.000 1.060 670 F HN 0.465 nan 8.300 nan 0.000 0.576 671 W N 0.243 120.920 121.300 -1.040 0.000 2.568 671 W HA 0.554 5.214 4.660 -0.001 0.000 0.396 671 W C -0.485 175.809 176.519 -0.376 0.000 1.554 671 W CA -1.415 55.348 57.345 -0.969 0.000 1.605 671 W CB -0.090 28.835 29.460 -0.891 0.000 1.543 671 W HN -0.226 nan 8.180 nan 0.000 0.692 672 D N 2.237 122.696 120.400 0.099 0.000 2.352 672 D HA 0.155 4.794 4.640 -0.001 0.000 0.245 672 D C -0.969 175.420 176.300 0.149 0.000 1.224 672 D CA -2.498 51.546 54.000 0.074 0.000 0.879 672 D CB 1.173 42.038 40.800 0.108 0.000 1.057 672 D HN 0.110 nan 8.370 nan 0.000 0.491 673 P HA -0.144 nan 4.420 nan 0.000 0.223 673 P C 0.909 178.275 177.300 0.110 0.000 1.144 673 P CA 0.701 63.836 63.100 0.059 0.000 0.783 673 P CB 0.206 31.868 31.700 -0.062 0.000 0.771 674 S N -1.807 113.946 115.700 0.087 0.000 2.524 674 S HA 0.087 4.557 4.470 -0.001 0.000 0.216 674 S C 0.791 175.450 174.600 0.098 0.000 0.987 674 S CA -0.232 58.015 58.200 0.078 0.000 0.909 674 S CB -0.605 62.625 63.200 0.050 0.000 0.781 674 S HN -0.103 nan 8.310 nan 0.000 0.521 675 V N 2.869 122.866 119.914 0.137 0.000 2.439 675 V HA 0.321 4.440 4.120 -0.001 0.000 0.282 675 V C 0.723 176.919 176.094 0.169 0.000 1.039 675 V CA -0.581 61.805 62.300 0.144 0.000 0.913 675 V CB 1.213 33.139 31.823 0.171 0.000 0.983 675 V HN 0.408 nan 8.190 nan 0.000 0.460 676 N N 3.167 121.931 118.700 0.107 0.000 2.290 676 N HA 0.172 4.911 4.740 -0.001 0.000 0.179 676 N C -0.077 175.437 175.510 0.006 0.000 1.016 676 N CA 0.561 53.657 53.050 0.077 0.000 0.871 676 N CB 0.257 38.772 38.487 0.046 0.000 0.987 676 N HN 0.615 nan 8.380 nan 0.000 0.431 677 L N -1.718 119.477 121.223 -0.047 0.000 2.424 677 L HA 0.669 5.008 4.340 -0.001 0.000 0.258 677 L C -1.467 175.442 176.870 0.065 0.000 0.995 677 L CA -1.386 53.331 54.840 -0.204 0.000 0.821 677 L CB 1.588 43.264 42.059 -0.639 0.000 1.383 677 L HN -0.129 nan 8.230 nan 0.000 0.410 678 F N -1.253 118.667 119.950 -0.050 0.000 2.608 678 F HA 0.933 5.459 4.527 -0.001 0.000 0.309 678 F C -0.128 175.758 175.800 0.143 0.000 1.103 678 F CA -0.792 57.241 58.000 0.055 0.000 0.954 678 F CB 1.508 40.611 39.000 0.172 0.000 1.267 678 F HN 0.667 nan 8.300 nan 0.000 0.444 679 G N 0.318 109.250 108.800 0.220 0.000 2.434 679 G HA2 0.495 4.454 3.960 -0.001 0.000 0.330 679 G HA3 0.495 4.454 3.960 -0.001 0.000 0.330 679 G C -2.229 172.897 174.900 0.376 0.000 1.155 679 G CA -0.806 44.446 45.100 0.253 0.000 0.917 679 G HN 1.108 nan 8.290 nan 0.000 0.493 680 H N 0.585 119.921 119.070 0.443 0.000 2.708 680 H HA 0.493 5.049 4.556 -0.001 0.000 0.320 680 H C -0.703 174.886 175.328 0.435 0.000 0.991 680 H CA -0.672 55.617 56.048 0.402 0.000 1.243 680 H CB 1.184 31.239 29.762 0.488 0.000 1.446 680 H HN 0.277 nan 8.280 nan 0.000 0.502 681 V N 5.403 125.181 119.914 -0.228 0.000 2.508 681 V HA 0.327 4.446 4.120 -0.001 0.000 0.281 681 V C 1.415 177.304 176.094 -0.341 0.000 1.041 681 V CA 0.327 62.560 62.300 -0.110 0.000 1.016 681 V CB 0.893 32.664 31.823 -0.086 0.000 0.984 681 V HN 1.000 nan 8.190 nan 0.000 0.478 682 G N 3.409 112.136 108.800 -0.121 0.000 2.599 682 G HA2 0.335 4.294 3.960 -0.001 0.000 0.264 682 G HA3 0.335 4.294 3.960 -0.001 0.000 0.264 682 G C 0.924 175.839 174.900 0.026 0.000 1.200 682 G CA 0.107 45.189 45.100 -0.030 0.000 0.896 682 G HN 0.744 nan 8.290 nan 0.000 0.536 683 S N -0.951 114.791 115.700 0.070 0.000 2.395 683 S HA 0.040 4.509 4.470 -0.001 0.000 0.225 683 S C 1.361 175.993 174.600 0.055 0.000 1.027 683 S CA 1.110 59.348 58.200 0.062 0.000 0.965 683 S CB -0.198 63.047 63.200 0.075 0.000 0.812 683 S HN 1.034 nan 8.310 nan 0.000 0.482 684 T N -1.389 113.200 114.554 0.057 0.000 2.924 684 T HA 0.448 4.797 4.350 -0.001 0.000 0.291 684 T C 0.870 175.600 174.700 0.050 0.000 1.045 684 T CA -0.547 61.583 62.100 0.050 0.000 1.015 684 T CB 1.476 70.371 68.868 0.045 0.000 1.103 684 T HN -0.081 nan 8.240 nan 0.000 0.496 685 T N 1.518 116.103 114.554 0.051 0.000 2.684 685 T HA -0.085 4.264 4.350 -0.001 0.000 0.267 685 T C 2.409 177.124 174.700 0.026 0.000 1.036 685 T CA 1.756 63.889 62.100 0.054 0.000 1.148 685 T CB -0.880 68.023 68.868 0.058 0.000 0.863 685 T HN 0.856 nan 8.240 nan 0.000 0.436 686 A N 1.234 124.065 122.820 0.019 0.000 1.917 686 A HA -0.096 4.224 4.320 -0.001 0.000 0.219 686 A C 2.285 179.870 177.584 0.002 0.000 1.182 686 A CA 1.828 53.868 52.037 0.005 0.000 0.633 686 A CB -0.501 18.505 19.000 0.010 0.000 0.819 686 A HN 0.449 nan 8.150 nan 0.000 0.448 687 S N -0.771 114.941 115.700 0.020 0.000 2.583 687 S HA 0.089 4.558 4.470 -0.001 0.000 0.239 687 S C 1.465 176.082 174.600 0.028 0.000 0.966 687 S CA 0.092 58.309 58.200 0.028 0.000 0.973 687 S CB -0.055 63.179 63.200 0.055 0.000 0.794 687 S HN 0.765 nan 8.310 nan 0.000 0.463 688 R N 1.237 121.736 120.500 -0.003 0.000 2.200 688 R HA -0.047 4.292 4.340 -0.001 0.000 0.234 688 R C 1.551 177.782 176.300 -0.115 0.000 1.127 688 R CA 1.549 57.633 56.100 -0.028 0.000 0.989 688 R CB -0.703 29.572 30.300 -0.041 0.000 0.869 688 R HN 0.299 nan 8.270 nan 0.000 0.459 689 G N 0.987 109.700 108.800 -0.146 0.000 3.141 689 G HA2 -0.095 3.864 3.960 -0.001 0.000 0.218 689 G HA3 -0.095 3.864 3.960 -0.001 0.000 0.218 689 G C -0.200 174.725 174.900 0.043 0.000 1.170 689 G CA -0.482 44.477 45.100 -0.237 0.000 0.769 689 G HN 0.432 nan 8.290 nan 0.000 0.546 690 E N 1.247 121.517 120.200 0.117 0.000 2.152 690 E HA 0.297 4.646 4.350 -0.001 0.000 0.285 690 E C 0.465 177.219 176.600 0.256 0.000 1.043 690 E CA -0.620 55.875 56.400 0.158 0.000 0.839 690 E CB 0.080 29.859 29.700 0.131 0.000 1.069 690 E HN 0.184 nan 8.360 nan 0.000 0.399 691 L N 5.392 126.712 121.223 0.163 0.000 3.854 691 L HA -0.277 4.062 4.340 -0.001 0.000 0.460 691 L C 0.573 177.563 176.870 0.199 0.000 1.228 691 L CA 0.034 54.884 54.840 0.017 0.000 0.760 691 L CB -1.839 40.207 42.059 -0.021 0.000 1.597 691 L HN 0.642 nan 8.230 nan 0.000 0.852 692 F N -0.760 119.238 119.950 0.080 0.000 2.664 692 F HA 0.490 5.016 4.527 -0.001 0.000 0.296 692 F C 0.382 176.348 175.800 0.276 0.000 1.125 692 F CA -0.141 57.995 58.000 0.226 0.000 1.444 692 F CB 0.236 39.237 39.000 0.001 0.000 1.114 692 F HN 0.092 nan 8.300 nan 0.000 0.576 693 L N 0.771 121.423 121.223 -0.952 0.000 2.470 693 L HA 0.541 4.880 4.340 -0.001 0.000 0.268 693 L C -1.805 174.685 176.870 -0.634 0.000 0.964 693 L CA -1.120 53.237 54.840 -0.804 0.000 0.839 693 L CB 1.524 42.784 42.059 -1.332 0.000 1.276 693 L HN 0.005 nan 8.230 nan 0.000 0.403 694 F N 3.243 122.822 119.950 -0.618 0.000 2.450 694 F HA 0.610 5.136 4.527 -0.001 0.000 0.332 694 F C -0.836 174.634 175.800 -0.549 0.000 1.093 694 F CA -0.027 57.597 58.000 -0.627 0.000 1.003 694 F CB 1.558 39.781 39.000 -1.296 0.000 1.151 694 F HN 0.382 nan 8.300 nan 0.000 0.474 695 W N 2.065 123.205 121.300 -0.266 0.000 2.702 695 W HA 0.347 5.006 4.660 -0.001 0.000 0.331 695 W C -0.451 175.970 176.519 -0.163 0.000 1.049 695 W CA -0.948 56.290 57.345 -0.179 0.000 1.230 695 W CB 1.270 30.642 29.460 -0.146 0.000 1.408 695 W HN 0.340 nan 8.180 nan 0.000 0.492 696 N N 3.360 122.118 118.700 0.096 0.000 2.707 696 N HA 0.228 4.967 4.740 -0.001 0.000 0.235 696 N C -0.613 174.935 175.510 0.062 0.000 1.028 696 N CA -0.234 52.841 53.050 0.042 0.000 0.906 696 N CB 0.591 39.142 38.487 0.106 0.000 1.131 696 N HN 0.341 nan 8.380 nan 0.000 0.509 697 L N 2.604 123.761 121.223 -0.110 0.000 2.878 697 L HA 0.357 4.696 4.340 -0.001 0.000 0.253 697 L C -0.644 175.936 176.870 -0.483 0.000 1.135 697 L CA 0.155 54.766 54.840 -0.383 0.000 0.943 697 L CB -0.793 40.801 42.059 -0.776 0.000 1.307 697 L HN 0.433 nan 8.230 nan 0.000 0.545 698 Y N -1.009 119.413 120.300 0.204 0.000 2.602 698 Y HA 0.396 4.945 4.550 -0.001 0.000 0.330 698 Y C 1.564 177.583 175.900 0.198 0.000 1.114 698 Y CA -1.143 57.071 58.100 0.190 0.000 1.182 698 Y CB 0.833 39.410 38.460 0.197 0.000 1.305 698 Y HN -0.265 nan 8.280 nan 0.000 0.502 699 K N 1.419 122.022 120.400 0.338 0.000 1.991 699 K HA -0.023 4.296 4.320 -0.001 0.000 0.212 699 K C 0.669 177.407 176.600 0.231 0.000 1.049 699 K CA 1.381 57.799 56.287 0.218 0.000 0.932 699 K CB -0.478 32.115 32.500 0.155 0.000 0.717 699 K HN 0.778 nan 8.250 nan 0.000 0.441 700 A N 0.735 123.718 122.820 0.272 0.000 2.327 700 A HA 0.292 4.611 4.320 -0.001 0.000 0.255 700 A C -2.245 175.616 177.584 0.462 0.000 1.099 700 A CA -1.077 51.143 52.037 0.305 0.000 0.801 700 A CB -0.306 18.881 19.000 0.310 0.000 1.062 700 A HN 0.237 nan 8.150 nan 0.000 0.496 701 P HA 0.306 nan 4.420 nan 0.000 0.249 701 P C -1.077 176.708 177.300 0.808 0.000 1.737 701 P CA 0.648 64.156 63.100 0.679 0.000 1.128 701 P CB -0.347 31.648 31.700 0.493 0.000 1.942 702 I N 2.329 123.289 120.570 0.650 0.000 2.569 702 I HA 0.412 4.581 4.170 -0.001 0.000 0.296 702 I C -0.137 176.051 176.117 0.118 0.000 1.028 702 I CA -0.956 60.558 61.300 0.357 0.000 1.082 702 I CB 2.220 40.440 38.000 0.367 0.000 1.264 702 I HN -0.079 nan 8.210 nan 0.000 0.429 703 L N 6.116 127.333 121.223 -0.010 0.000 2.386 703 L HA 0.578 4.918 4.340 -0.001 0.000 0.271 703 L C -0.985 175.905 176.870 0.032 0.000 0.993 703 L CA -0.725 54.060 54.840 -0.091 0.000 0.819 703 L CB 2.303 44.312 42.059 -0.082 0.000 1.294 703 L HN 0.382 nan 8.230 nan 0.000 0.414 704 L N 2.713 123.969 121.223 0.054 0.000 2.322 704 L HA 0.716 5.055 4.340 -0.001 0.000 0.281 704 L C -0.111 176.685 176.870 -0.124 0.000 1.014 704 L CA -0.495 54.338 54.840 -0.012 0.000 0.815 704 L CB 1.898 43.936 42.059 -0.034 0.000 1.247 704 L HN 0.666 nan 8.230 nan 0.000 0.421 705 A N 4.023 126.680 122.820 -0.272 0.000 2.331 705 A HA 0.738 5.057 4.320 -0.001 0.000 0.320 705 A C -0.951 176.418 177.584 -0.359 0.000 1.138 705 A CA -0.508 51.175 52.037 -0.590 0.000 0.790 705 A CB 1.266 19.819 19.000 -0.744 0.000 1.206 705 A HN 0.475 nan 8.150 nan 0.000 0.470 706 L N 1.896 122.894 121.223 -0.376 0.000 2.357 706 L HA 0.579 4.918 4.340 -0.001 0.000 0.273 706 L C -0.224 176.638 176.870 -0.013 0.000 1.080 706 L CA -0.143 54.581 54.840 -0.192 0.000 0.803 706 L CB 1.829 43.718 42.059 -0.283 0.000 1.174 706 L HN 0.420 nan 8.230 nan 0.000 0.443 707 V N 2.752 122.708 119.914 0.071 0.000 2.409 707 V HA 0.834 4.953 4.120 -0.001 0.000 0.290 707 V C -0.044 176.118 176.094 0.114 0.000 1.017 707 V CA -0.594 61.766 62.300 0.100 0.000 0.841 707 V CB 1.080 32.929 31.823 0.044 0.000 1.003 707 V HN 0.893 nan 8.190 nan 0.000 0.426 708 A N 3.374 126.246 122.820 0.086 0.000 2.387 708 A HA 1.025 5.344 4.320 -0.001 0.000 0.298 708 A C 0.807 178.331 177.584 -0.099 0.000 1.165 708 A CA 0.082 52.117 52.037 -0.005 0.000 0.814 708 A CB 1.209 20.173 19.000 -0.061 0.000 1.357 708 A HN 1.964 nan 8.150 nan 0.000 0.443 709 G N 0.103 108.834 108.800 -0.115 0.000 2.634 709 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.309 709 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.309 709 G C 0.776 175.616 174.900 -0.100 0.000 1.265 709 G CA 0.920 45.936 45.100 -0.139 0.000 0.998 709 G HN 0.882 nan 8.290 nan 0.000 0.551 710 E N 0.436 120.581 120.200 -0.092 0.000 2.118 710 E HA -0.071 4.279 4.350 -0.001 0.000 0.195 710 E C 3.013 179.592 176.600 -0.036 0.000 0.992 710 E CA 1.343 57.707 56.400 -0.059 0.000 0.804 710 E CB -0.312 29.358 29.700 -0.051 0.000 0.741 710 E HN 0.712 nan 8.360 nan 0.000 0.458 711 A N 1.545 124.346 122.820 -0.033 0.000 1.972 711 A HA -0.126 4.193 4.320 -0.001 0.000 0.219 711 A C 2.393 179.977 177.584 0.001 0.000 1.169 711 A CA 1.539 53.572 52.037 -0.007 0.000 0.635 711 A CB -0.537 18.468 19.000 0.009 0.000 0.810 711 A HN 0.298 nan 8.150 nan 0.000 0.446 712 A N -0.301 122.516 122.820 -0.004 0.000 1.873 712 A HA 0.006 4.325 4.320 -0.001 0.000 0.218 712 A C 2.448 180.039 177.584 0.013 0.000 1.193 712 A CA 2.230 54.274 52.037 0.011 0.000 0.629 712 A CB -1.485 17.519 19.000 0.006 0.000 0.826 712 A HN 0.760 nan 8.150 nan 0.000 0.447 713 G N -0.334 108.468 108.800 0.003 0.000 2.404 713 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.215 713 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.215 713 G C 1.427 176.330 174.900 0.005 0.000 1.174 713 G CA 1.022 46.127 45.100 0.009 0.000 0.780 713 G HN 0.366 nan 8.290 nan 0.000 0.537 714 I N 1.376 121.947 120.570 0.002 0.000 2.127 714 I HA -0.136 4.033 4.170 -0.001 0.000 0.241 714 I C 2.806 178.924 176.117 0.002 0.000 1.075 714 I CA 1.141 62.442 61.300 0.002 0.000 1.334 714 I CB -0.943 37.059 38.000 0.003 0.000 1.040 714 I HN 0.170 nan 8.210 nan 0.000 0.405 715 M N 0.155 119.757 119.600 0.004 0.000 2.346 715 M HA -0.172 4.307 4.480 -0.001 0.000 0.263 715 M C 1.913 178.209 176.300 -0.007 0.000 1.064 715 M CA 1.165 56.466 55.300 0.002 0.000 1.083 715 M CB -1.277 31.327 32.600 0.007 0.000 1.399 715 M HN 0.335 nan 8.290 nan 0.000 0.435 716 E N 0.436 120.632 120.200 -0.007 0.000 2.333 716 E HA -0.165 4.185 4.350 -0.001 0.000 0.198 716 E C 1.070 177.656 176.600 -0.024 0.000 1.007 716 E CA 0.776 57.165 56.400 -0.019 0.000 0.845 716 E CB -0.316 29.376 29.700 -0.013 0.000 0.766 716 E HN 0.672 nan 8.360 nan 0.000 0.507 717 N N -0.097 118.593 118.700 -0.016 0.000 2.398 717 N HA 0.095 4.834 4.740 -0.001 0.000 0.188 717 N C -0.072 175.429 175.510 -0.015 0.000 1.122 717 N CA 0.158 53.198 53.050 -0.016 0.000 0.866 717 N CB 0.481 38.962 38.487 -0.010 0.000 0.970 717 N HN 0.026 nan 8.380 nan 0.000 0.462 718 I N 0.556 121.116 120.570 -0.015 0.000 2.437 718 I HA 0.175 4.344 4.170 -0.001 0.000 0.298 718 I C 0.477 176.581 176.117 -0.022 0.000 0.984 718 I CA -0.968 60.323 61.300 -0.014 0.000 1.214 718 I CB 1.509 39.505 38.000 -0.007 0.000 1.365 718 I HN 0.043 nan 8.210 nan 0.000 0.469 719 S N 2.586 118.273 115.700 -0.022 0.000 2.589 719 S HA 0.061 4.530 4.470 -0.001 0.000 0.265 719 S C 0.557 175.137 174.600 -0.034 0.000 1.342 719 S CA -0.506 57.677 58.200 -0.029 0.000 1.005 719 S CB 0.980 64.165 63.200 -0.024 0.000 0.909 719 S HN 0.590 nan 8.310 nan 0.000 0.555 720 D N 1.211 121.584 120.400 -0.045 0.000 2.106 720 D HA -0.127 4.512 4.640 -0.001 0.000 0.191 720 D C 1.526 177.801 176.300 -0.041 0.000 0.997 720 D CA 1.799 55.766 54.000 -0.055 0.000 0.834 720 D CB -0.455 40.303 40.800 -0.070 0.000 0.956 720 D HN 0.653 nan 8.370 nan 0.000 0.448 721 D N 0.061 120.442 120.400 -0.032 0.000 2.116 721 D HA -0.132 4.508 4.640 -0.001 0.000 0.193 721 D C 2.281 178.576 176.300 -0.009 0.000 0.998 721 D CA 0.820 54.808 54.000 -0.020 0.000 0.836 721 D CB -0.338 40.453 40.800 -0.015 0.000 0.951 721 D HN 0.114 nan 8.370 nan 0.000 0.449 722 V N 1.126 121.035 119.914 -0.008 0.000 2.307 722 V HA -0.207 3.912 4.120 -0.001 0.000 0.245 722 V C 2.476 178.572 176.094 0.004 0.000 1.045 722 V CA 1.012 63.313 62.300 0.001 0.000 1.024 722 V CB -0.357 31.466 31.823 -0.000 0.000 0.651 722 V HN 0.088 nan 8.190 nan 0.000 0.449 723 I N -0.052 120.515 120.570 -0.005 0.000 2.179 723 I HA -0.174 3.995 4.170 -0.001 0.000 0.242 723 I C 2.259 178.379 176.117 0.004 0.000 1.088 723 I CA 1.586 62.884 61.300 -0.003 0.000 1.357 723 I CB -0.295 37.694 38.000 -0.019 0.000 1.051 723 I HN 0.073 nan 8.210 nan 0.000 0.409 724 V N 1.259 121.169 119.914 -0.006 0.000 2.332 724 V HA -0.256 3.863 4.120 -0.001 0.000 0.248 724 V C 2.626 178.744 176.094 0.040 0.000 1.055 724 V CA 2.011 64.314 62.300 0.006 0.000 1.038 724 V CB -1.940 29.872 31.823 -0.019 0.000 0.651 724 V HN 0.618 nan 8.190 nan 0.000 0.450 725 G N 0.162 108.980 108.800 0.029 0.000 2.491 725 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.218 725 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.218 725 G C 1.682 176.611 174.900 0.050 0.000 1.180 725 G CA 1.016 46.139 45.100 0.038 0.000 0.774 725 G HN 0.481 nan 8.290 nan 0.000 0.562 726 R N -0.694 119.832 120.500 0.044 0.000 2.127 726 R HA -0.054 4.285 4.340 -0.001 0.000 0.238 726 R C 2.615 178.958 176.300 0.072 0.000 1.134 726 R CA 1.104 57.233 56.100 0.048 0.000 0.975 726 R CB -0.698 29.627 30.300 0.040 0.000 0.865 726 R HN 0.397 nan 8.270 nan 0.000 0.447 727 C N 0.694 120.056 119.300 0.104 0.000 2.453 727 C HA -0.003 4.456 4.460 -0.001 0.000 0.277 727 C C 2.589 177.715 174.990 0.226 0.000 1.262 727 C CA 0.477 59.619 59.018 0.207 0.000 1.718 727 C CB -0.775 27.097 27.740 0.221 0.000 2.031 727 C HN 0.436 nan 8.230 nan 0.000 0.480 728 L N 1.040 122.367 121.223 0.174 0.000 2.083 728 L HA -0.160 4.179 4.340 -0.001 0.000 0.209 728 L C 2.879 179.800 176.870 0.086 0.000 1.083 728 L CA 1.629 56.561 54.840 0.153 0.000 0.752 728 L CB -0.920 41.211 42.059 0.122 0.000 0.899 728 L HN 0.346 nan 8.230 nan 0.000 0.433 729 A N 0.652 123.510 122.820 0.063 0.000 1.858 729 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 729 A C 2.195 179.788 177.584 0.016 0.000 1.190 729 A CA 1.523 53.580 52.037 0.033 0.000 0.617 729 A CB -0.515 18.503 19.000 0.030 0.000 0.827 729 A HN 0.256 nan 8.150 nan 0.000 0.443 730 I N -0.395 120.179 120.570 0.007 0.000 2.127 730 I HA -0.217 3.953 4.170 -0.001 0.000 0.241 730 I C 2.424 178.515 176.117 -0.043 0.000 1.075 730 I CA 1.244 62.505 61.300 -0.066 0.000 1.334 730 I CB -1.497 36.435 38.000 -0.113 0.000 1.040 730 I HN 0.183 nan 8.210 nan 0.000 0.405 731 L N 0.830 122.069 121.223 0.027 0.000 2.042 731 L HA -0.200 4.139 4.340 -0.001 0.000 0.210 731 L C 2.501 179.428 176.870 0.094 0.000 1.076 731 L CA 1.801 56.707 54.840 0.109 0.000 0.749 731 L CB -1.158 41.056 42.059 0.258 0.000 0.893 731 L HN 0.279 nan 8.230 nan 0.000 0.432 732 K N -1.185 119.228 120.400 0.021 0.000 2.148 732 K HA -0.066 4.253 4.320 -0.001 0.000 0.204 732 K C 1.984 178.559 176.600 -0.042 0.000 1.050 732 K CA 1.024 57.299 56.287 -0.020 0.000 0.942 732 K CB -0.469 32.013 32.500 -0.031 0.000 0.724 732 K HN 0.433 nan 8.250 nan 0.000 0.446 733 G N 0.960 109.730 108.800 -0.050 0.000 2.470 733 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.220 733 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.220 733 G C 1.390 176.197 174.900 -0.155 0.000 1.121 733 G CA 0.541 45.603 45.100 -0.064 0.000 0.766 733 G HN 0.152 nan 8.290 nan 0.000 0.553 734 I N -1.425 118.963 120.570 -0.303 0.000 2.810 734 I HA 0.196 4.365 4.170 -0.001 0.000 0.262 734 I C 1.522 177.175 176.117 -0.773 0.000 1.131 734 I CA 0.398 61.276 61.300 -0.704 0.000 1.453 734 I CB 0.170 37.422 38.000 -1.246 0.000 1.161 734 I HN 0.047 nan 8.210 nan 0.000 0.444 735 F N 1.066 120.899 119.950 -0.195 0.000 2.721 735 F HA 0.444 4.970 4.527 -0.001 0.000 0.301 735 F C 1.115 176.850 175.800 -0.109 0.000 1.096 735 F CA 0.012 57.936 58.000 -0.126 0.000 1.308 735 F CB 0.060 39.052 39.000 -0.014 0.000 1.086 735 F HN 0.038 nan 8.300 nan 0.000 0.587 736 G N 0.973 109.777 108.800 0.007 0.000 2.895 736 G HA2 -0.052 3.907 3.960 -0.001 0.000 0.686 736 G HA3 -0.052 3.907 3.960 -0.001 0.000 0.686 736 G C -0.007 174.868 174.900 -0.041 0.000 1.108 736 G CA -0.653 44.434 45.100 -0.020 0.000 0.761 736 G HN 0.454 nan 8.290 nan 0.000 0.611 737 S N 0.769 116.440 115.700 -0.049 0.000 2.596 737 S HA 0.664 5.133 4.470 -0.001 0.000 0.260 737 S C 1.709 176.262 174.600 -0.078 0.000 1.336 737 S CA 1.157 59.316 58.200 -0.070 0.000 0.993 737 S CB 1.482 64.655 63.200 -0.046 0.000 0.923 737 S HN 2.990 nan 8.310 nan 0.000 0.567 738 S N -0.509 115.134 115.700 -0.095 0.000 2.105 738 S HA -0.277 4.192 4.470 -0.001 0.000 0.242 738 S C 1.231 175.756 174.600 -0.125 0.000 1.128 738 S CA 1.418 59.566 58.200 -0.087 0.000 1.482 738 S CB -2.263 60.904 63.200 -0.055 0.000 1.865 738 S HN 2.093 nan 8.310 nan 0.000 0.577 739 A N 0.774 123.497 122.820 -0.162 0.000 2.044 739 A HA 0.653 4.972 4.320 -0.001 0.000 0.213 739 A C 0.878 178.144 177.584 -0.530 0.000 1.169 739 A CA 1.074 52.985 52.037 -0.211 0.000 0.724 739 A CB 0.231 19.174 19.000 -0.095 0.000 0.840 739 A HN 1.183 nan 8.150 nan 0.000 0.463 740 V N 3.547 123.107 119.914 -0.591 0.000 2.318 740 V HA 0.278 4.397 4.120 -0.001 0.000 0.271 740 V C -2.147 173.669 176.094 -0.463 0.000 1.030 740 V CA -1.594 60.142 62.300 -0.940 0.000 0.844 740 V CB 1.000 32.403 31.823 -0.700 0.000 1.015 740 V HN 0.359 nan 8.190 nan 0.000 0.460 741 P HA 0.276 nan 4.420 nan 0.000 0.279 741 P C -0.744 176.628 177.300 0.120 0.000 1.276 741 P CA -0.653 62.404 63.100 -0.071 0.000 0.801 741 P CB 0.945 32.648 31.700 0.004 0.000 1.127 742 Q N 0.302 120.189 119.800 0.145 0.000 2.373 742 Q HA 0.284 4.623 4.340 -0.001 0.000 0.255 742 Q C -1.972 174.189 176.000 0.268 0.000 0.980 742 Q CA -1.345 54.566 55.803 0.180 0.000 0.882 742 Q CB -0.547 28.248 28.738 0.095 0.000 1.249 742 Q HN 0.335 nan 8.270 nan 0.000 0.438 743 P HA 0.119 nan 4.420 nan 0.000 0.275 743 P C 0.258 177.550 177.300 -0.013 0.000 1.228 743 P CA -0.163 62.912 63.100 -0.041 0.000 0.786 743 P CB 0.852 32.376 31.700 -0.294 0.000 0.927 744 K N 0.887 121.273 120.400 -0.024 0.000 2.166 744 K HA 0.085 4.404 4.320 -0.001 0.000 0.201 744 K C 0.338 176.905 176.600 -0.055 0.000 1.052 744 K CA 1.068 57.362 56.287 0.013 0.000 0.969 744 K CB 0.363 32.917 32.500 0.091 0.000 0.761 744 K HN 0.546 nan 8.250 nan 0.000 0.459 745 E N 1.063 121.157 120.200 -0.176 0.000 2.314 745 E HA 0.208 4.557 4.350 -0.001 0.000 0.272 745 E C -0.890 175.531 176.600 -0.298 0.000 0.884 745 E CA -0.354 55.929 56.400 -0.195 0.000 0.753 745 E CB 2.466 32.064 29.700 -0.170 0.000 1.213 745 E HN 0.099 nan 8.360 nan 0.000 0.432 746 T N -1.886 112.501 114.554 -0.278 0.000 2.912 746 T HA 0.656 5.005 4.350 -0.001 0.000 0.299 746 T C -0.665 173.816 174.700 -0.364 0.000 1.052 746 T CA -0.704 61.208 62.100 -0.314 0.000 0.996 746 T CB 1.295 70.033 68.868 -0.217 0.000 1.070 746 T HN 0.112 nan 8.240 nan 0.000 0.465 747 V N 2.299 121.966 119.914 -0.412 0.000 2.638 747 V HA 0.695 4.814 4.120 -0.001 0.000 0.306 747 V C -0.639 175.299 176.094 -0.261 0.000 1.052 747 V CA -0.861 61.198 62.300 -0.403 0.000 0.885 747 V CB 1.887 33.333 31.823 -0.629 0.000 0.999 747 V HN 0.937 nan 8.190 nan 0.000 0.424 748 V N 3.430 123.221 119.914 -0.204 0.000 2.444 748 V HA 0.533 4.652 4.120 -0.001 0.000 0.294 748 V C 0.330 176.322 176.094 -0.170 0.000 1.022 748 V CA -0.443 61.764 62.300 -0.155 0.000 0.850 748 V CB 2.094 33.843 31.823 -0.124 0.000 0.992 748 V HN 1.036 nan 8.190 nan 0.000 0.426 749 S N 5.115 120.720 115.700 -0.158 0.000 2.610 749 S HA 0.666 5.135 4.470 -0.001 0.000 0.273 749 S C -0.072 174.393 174.600 -0.224 0.000 1.274 749 S CA -0.769 57.269 58.200 -0.271 0.000 1.023 749 S CB 1.143 64.217 63.200 -0.209 0.000 0.962 749 S HN 0.710 nan 8.310 nan 0.000 0.523 750 R N 1.103 121.400 120.500 -0.338 0.000 2.684 750 R HA 0.162 4.501 4.340 -0.001 0.000 0.252 750 R C -0.602 175.593 176.300 -0.175 0.000 1.628 750 R CA -0.224 55.773 56.100 -0.172 0.000 1.622 750 R CB 0.029 30.244 30.300 -0.142 0.000 1.418 750 R HN 0.847 nan 8.270 nan 0.000 0.697 751 W N 0.385 121.688 121.300 0.005 0.000 2.392 751 W HA -0.126 4.533 4.660 -0.002 0.000 0.279 751 W C 2.262 178.804 176.519 0.038 0.000 1.225 751 W CA 0.695 58.057 57.345 0.028 0.000 1.233 751 W CB 0.052 29.529 29.460 0.028 0.000 1.122 751 W HN 0.286 nan 8.180 nan 0.000 0.561 752 R N 0.875 121.497 120.500 0.203 0.000 2.090 752 R HA -0.001 4.338 4.340 -0.001 0.000 0.228 752 R C 2.120 178.464 176.300 0.074 0.000 1.110 752 R CA 1.769 57.956 56.100 0.146 0.000 0.973 752 R CB -0.957 29.400 30.300 0.095 0.000 0.869 752 R HN 0.017 nan 8.270 nan 0.000 0.440 753 A N 0.344 123.174 122.820 0.016 0.000 2.014 753 A HA -0.054 4.265 4.320 -0.001 0.000 0.218 753 A C 0.557 178.093 177.584 -0.080 0.000 1.163 753 A CA 0.747 52.760 52.037 -0.040 0.000 0.652 753 A CB -0.563 18.400 19.000 -0.062 0.000 0.808 753 A HN 0.386 nan 8.150 nan 0.000 0.449 754 D N 0.741 121.103 120.400 -0.064 0.000 2.426 754 D HA 0.027 4.666 4.640 -0.001 0.000 0.261 754 D C -1.193 175.030 176.300 -0.129 0.000 1.245 754 D CA -1.501 52.438 54.000 -0.102 0.000 0.917 754 D CB 0.987 41.768 40.800 -0.032 0.000 1.123 754 D HN 0.194 nan 8.370 nan 0.000 0.508 755 P HA -0.135 nan 4.420 nan 0.000 0.220 755 P C 0.917 177.995 177.300 -0.370 0.000 1.148 755 P CA 1.033 63.836 63.100 -0.495 0.000 0.803 755 P CB -0.137 31.051 31.700 -0.853 0.000 0.782 756 W N -0.676 120.666 121.300 0.069 0.000 3.180 756 W HA 0.382 5.041 4.660 -0.001 0.000 0.254 756 W C 1.912 178.513 176.519 0.138 0.000 1.318 756 W CA 0.014 57.409 57.345 0.085 0.000 1.608 756 W CB -0.013 29.495 29.460 0.080 0.000 1.124 756 W HN 0.038 nan 8.180 nan 0.000 0.694 757 A N -0.455 122.564 122.820 0.331 0.000 1.865 757 A HA 0.263 4.582 4.320 -0.001 0.000 0.204 757 A C 1.382 179.157 177.584 0.317 0.000 1.791 757 A CA -0.104 52.160 52.037 0.377 0.000 1.067 757 A CB 0.252 19.617 19.000 0.609 0.000 1.069 757 A HN -0.032 nan 8.150 nan 0.000 0.556 758 R N -0.623 120.042 120.500 0.276 0.000 3.776 758 R HA -0.127 4.213 4.340 -0.001 0.000 0.312 758 R C 0.438 177.001 176.300 0.439 0.000 1.181 758 R CA 1.353 57.594 56.100 0.235 0.000 0.836 758 R CB -2.511 27.845 30.300 0.093 0.000 1.324 758 R HN 2.121 nan 8.270 nan 0.000 0.501 759 G N -2.577 106.515 108.800 0.487 0.000 2.369 759 G HA2 0.093 4.052 3.960 -0.001 0.000 0.295 759 G HA3 0.093 4.052 3.960 -0.001 0.000 0.295 759 G C 0.409 175.332 174.900 0.038 0.000 1.298 759 G CA 0.306 45.564 45.100 0.262 0.000 0.940 759 G HN 0.285 nan 8.290 nan 0.000 0.536 760 S N -1.153 114.289 115.700 -0.429 0.000 2.398 760 S HA 0.559 5.028 4.470 -0.001 0.000 0.220 760 S C 0.640 174.962 174.600 -0.464 0.000 1.046 760 S CA 1.755 59.643 58.200 -0.519 0.000 0.953 760 S CB -0.133 62.716 63.200 -0.584 0.000 0.856 760 S HN 1.998 nan 8.310 nan 0.000 0.506 761 Y N 0.419 120.267 120.300 -0.754 0.000 2.702 761 Y HA 0.686 5.235 4.550 -0.001 0.000 0.336 761 Y C -0.430 175.203 175.900 -0.445 0.000 1.203 761 Y CA -1.462 56.342 58.100 -0.494 0.000 1.072 761 Y CB 0.309 38.668 38.460 -0.167 0.000 1.327 761 Y HN 0.179 nan 8.280 nan 0.000 0.456 762 S N 0.794 116.629 115.700 0.225 0.000 2.600 762 S HA 0.637 5.107 4.470 -0.001 0.000 0.265 762 S C -0.958 173.866 174.600 0.373 0.000 1.325 762 S CA -0.028 58.358 58.200 0.311 0.000 1.002 762 S CB 0.469 63.940 63.200 0.452 0.000 0.921 762 S HN 1.210 nan 8.310 nan 0.000 0.554 763 Y N -2.147 118.297 120.300 0.240 0.000 2.544 763 Y HA 0.628 5.177 4.550 -0.001 0.000 0.342 763 Y C -1.253 174.804 175.900 0.262 0.000 1.062 763 Y CA -1.730 56.511 58.100 0.235 0.000 1.023 763 Y CB 0.496 39.033 38.460 0.129 0.000 1.308 763 Y HN 0.441 nan 8.280 nan 0.000 0.457 764 V N 3.635 123.826 119.914 0.461 0.000 2.421 764 V HA 0.491 4.611 4.120 -0.001 0.000 0.271 764 V C 0.819 177.129 176.094 0.361 0.000 1.031 764 V CA 0.242 62.751 62.300 0.348 0.000 1.032 764 V CB -0.488 31.567 31.823 0.387 0.000 1.009 764 V HN 0.976 nan 8.190 nan 0.000 0.477 765 A N 4.909 127.802 122.820 0.121 0.000 2.304 765 A HA 0.761 5.080 4.320 -0.001 0.000 0.271 765 A C 0.762 178.459 177.584 0.189 0.000 1.091 765 A CA -0.008 52.160 52.037 0.219 0.000 0.812 765 A CB 0.460 19.466 19.000 0.010 0.000 1.056 765 A HN 1.289 nan 8.150 nan 0.000 0.489 766 A N -0.078 122.848 122.820 0.176 0.000 2.520 766 A HA 0.489 4.808 4.320 -0.001 0.000 0.245 766 A C 1.479 179.113 177.584 0.083 0.000 1.072 766 A CA 0.785 52.891 52.037 0.116 0.000 0.761 766 A CB -0.779 18.260 19.000 0.065 0.000 1.004 766 A HN 2.706 nan 8.150 nan 0.000 0.499 767 G N 0.800 109.650 108.800 0.084 0.000 2.213 767 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.226 767 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.226 767 G C 0.647 175.573 174.900 0.043 0.000 0.992 767 G CA 0.771 45.903 45.100 0.053 0.000 0.632 767 G HN 1.685 nan 8.290 nan 0.000 0.511 768 S N -0.685 115.048 115.700 0.056 0.000 2.753 768 S HA 0.935 5.405 4.470 -0.001 0.000 0.302 768 S C 0.259 174.870 174.600 0.019 0.000 1.104 768 S CA 1.200 59.404 58.200 0.006 0.000 0.968 768 S CB 1.819 64.999 63.200 -0.034 0.000 1.278 768 S HN 2.093 nan 8.310 nan 0.000 0.549 769 S N -1.267 114.395 115.700 -0.063 0.000 2.656 769 S HA 0.453 4.922 4.470 -0.001 0.000 0.265 769 S C 0.720 175.281 174.600 -0.066 0.000 1.132 769 S CA -0.159 57.893 58.200 -0.246 0.000 0.819 769 S CB 0.376 63.239 63.200 -0.562 0.000 1.119 769 S HN 1.194 nan 8.310 nan 0.000 0.476 770 G N 0.243 108.992 108.800 -0.085 0.000 2.708 770 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.210 770 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.210 770 G C 0.798 175.756 174.900 0.097 0.000 1.141 770 G CA 0.716 45.889 45.100 0.122 0.000 0.788 770 G HN 0.724 nan 8.290 nan 0.000 0.531 771 N N 0.139 118.824 118.700 -0.025 0.000 2.446 771 N HA 0.002 4.741 4.740 -0.001 0.000 0.179 771 N C 1.288 176.778 175.510 -0.034 0.000 1.054 771 N CA 0.490 53.520 53.050 -0.032 0.000 0.905 771 N CB 0.162 38.610 38.487 -0.065 0.000 0.973 771 N HN 0.061 nan 8.380 nan 0.000 0.448 772 D N -0.915 119.441 120.400 -0.075 0.000 2.269 772 D HA -0.091 4.548 4.640 -0.001 0.000 0.208 772 D C 0.992 177.173 176.300 -0.198 0.000 0.963 772 D CA 0.820 54.727 54.000 -0.156 0.000 0.864 772 D CB -0.099 40.557 40.800 -0.240 0.000 0.936 772 D HN 0.410 nan 8.370 nan 0.000 0.505 773 Y N 0.977 121.242 120.300 -0.059 0.000 2.314 773 Y HA -0.078 4.471 4.550 -0.001 0.000 0.293 773 Y C 2.044 177.901 175.900 -0.073 0.000 1.129 773 Y CA 0.754 58.816 58.100 -0.063 0.000 1.201 773 Y CB 0.029 38.450 38.460 -0.066 0.000 0.999 773 Y HN -0.110 nan 8.280 nan 0.000 0.541 774 D N -0.054 120.389 120.400 0.072 0.000 2.091 774 D HA -0.129 4.511 4.640 -0.001 0.000 0.199 774 D C 2.248 178.543 176.300 -0.009 0.000 0.980 774 D CA 1.078 55.087 54.000 0.015 0.000 0.831 774 D CB -0.470 40.324 40.800 -0.010 0.000 0.987 774 D HN 0.235 nan 8.370 nan 0.000 0.460 775 L N 0.266 121.477 121.223 -0.019 0.000 2.129 775 L HA -0.184 4.155 4.340 -0.001 0.000 0.212 775 L C 2.442 179.332 176.870 0.034 0.000 1.087 775 L CA 0.727 55.582 54.840 0.026 0.000 0.757 775 L CB -0.316 41.778 42.059 0.059 0.000 0.896 775 L HN 0.100 nan 8.230 nan 0.000 0.434 776 M N -0.895 118.660 119.600 -0.076 0.000 2.229 776 M HA -0.105 4.375 4.480 -0.001 0.000 0.264 776 M C 2.437 178.626 176.300 -0.184 0.000 1.063 776 M CA 1.604 56.782 55.300 -0.203 0.000 1.114 776 M CB -1.003 31.486 32.600 -0.186 0.000 1.387 776 M HN 0.286 nan 8.290 nan 0.000 0.420 777 A N -0.689 122.104 122.820 -0.044 0.000 2.067 777 A HA -0.034 4.286 4.320 -0.001 0.000 0.217 777 A C 1.174 178.831 177.584 0.121 0.000 1.156 777 A CA 0.355 52.419 52.037 0.045 0.000 0.683 777 A CB -0.261 18.764 19.000 0.042 0.000 0.808 777 A HN 0.355 nan 8.150 nan 0.000 0.455 778 Q N 0.527 120.385 119.800 0.096 0.000 2.286 778 Q HA 0.159 4.498 4.340 -0.001 0.000 0.290 778 Q C -2.471 173.680 176.000 0.251 0.000 1.049 778 Q CA -1.349 54.541 55.803 0.145 0.000 0.923 778 Q CB 0.101 28.904 28.738 0.109 0.000 1.183 778 Q HN 0.255 nan 8.270 nan 0.000 0.383 779 P HA 0.222 nan 4.420 nan 0.000 0.281 779 P C -0.482 176.853 177.300 0.058 0.000 1.249 779 P CA -0.459 62.647 63.100 0.010 0.000 0.810 779 P CB 0.763 32.304 31.700 -0.265 0.000 1.008 780 I N 1.990 122.534 120.570 -0.043 0.000 2.353 780 I HA 0.296 4.466 4.170 -0.001 0.000 0.293 780 I C 0.628 176.713 176.117 -0.054 0.000 0.992 780 I CA 0.000 61.297 61.300 -0.005 0.000 1.268 780 I CB 0.688 38.588 38.000 -0.167 0.000 1.387 780 I HN 0.357 nan 8.210 nan 0.000 0.478 781 T N 5.541 120.138 114.554 0.071 0.000 2.879 781 T HA 0.654 5.003 4.350 -0.001 0.000 0.290 781 T C -2.166 172.621 174.700 0.144 0.000 0.993 781 T CA -1.341 60.806 62.100 0.078 0.000 0.975 781 T CB 2.110 71.002 68.868 0.041 0.000 0.981 781 T HN 0.379 nan 8.240 nan 0.000 0.439 793 I N 0.653 121.244 120.570 0.036 0.000 2.739 793 I HA 0.328 4.497 4.170 -0.001 0.000 0.287 793 I C -3.007 173.140 176.117 0.051 0.000 1.558 793 I CA -1.603 59.711 61.300 0.022 0.000 1.050 793 I CB 2.587 40.578 38.000 -0.014 0.000 1.432 793 I HN -0.338 nan 8.210 nan 0.000 0.432 794 P HA -0.018 nan 4.420 nan 0.000 0.255 794 P C -0.573 176.765 177.300 0.063 0.000 1.141 794 P CA 0.675 63.764 63.100 -0.018 0.000 0.767 794 P CB 0.394 32.146 31.700 0.087 0.000 0.726 795 R N 3.161 123.594 120.500 -0.112 0.000 2.320 795 R HA 0.286 4.625 4.340 -0.001 0.000 0.193 795 R C -0.034 176.185 176.300 -0.134 0.000 0.885 795 R CA 0.167 56.316 56.100 0.082 0.000 1.085 795 R CB -0.023 30.387 30.300 0.184 0.000 1.253 795 R HN 0.269 nan 8.270 nan 0.000 0.636 796 L N 1.724 122.667 121.223 -0.467 0.000 2.280 796 L HA 0.517 4.856 4.340 -0.001 0.000 0.287 796 L C -1.428 174.980 176.870 -0.770 0.000 1.023 796 L CA -0.338 54.178 54.840 -0.540 0.000 0.819 796 L CB 0.715 42.366 42.059 -0.680 0.000 1.212 796 L HN -0.081 nan 8.230 nan 0.000 0.420 797 F N 4.551 124.297 119.950 -0.341 0.000 2.523 797 F HA 0.653 5.179 4.527 -0.002 0.000 0.329 797 F C -0.487 175.018 175.800 -0.491 0.000 1.061 797 F CA -0.463 57.400 58.000 -0.227 0.000 0.967 797 F CB 1.466 40.410 39.000 -0.094 0.000 1.218 797 F HN 0.190 nan 8.300 nan 0.000 0.480 798 F N 0.920 120.946 119.950 0.128 0.000 2.540 798 F HA 0.785 5.311 4.527 -0.001 0.000 0.317 798 F C -0.007 175.799 175.800 0.009 0.000 1.104 798 F CA -0.815 57.211 58.000 0.043 0.000 0.913 798 F CB 1.814 40.801 39.000 -0.022 0.000 1.170 798 F HN 0.604 nan 8.300 nan 0.000 0.450 799 A N 1.378 124.293 122.820 0.159 0.000 2.569 799 A HA 1.002 5.321 4.320 -0.001 0.000 0.290 799 A C -0.357 177.250 177.584 0.039 0.000 1.136 799 A CA -0.419 51.650 52.037 0.055 0.000 0.710 799 A CB 1.704 20.723 19.000 0.032 0.000 1.303 799 A HN 1.722 nan 8.150 nan 0.000 0.413 800 G N -0.406 108.402 108.800 0.013 0.000 2.375 800 G HA2 0.411 4.370 3.960 -0.001 0.000 0.663 800 G HA3 0.411 4.370 3.960 -0.001 0.000 0.663 800 G C 0.002 174.950 174.900 0.079 0.000 1.391 800 G CA 0.636 45.806 45.100 0.116 0.000 0.949 800 G HN 1.859 nan 8.290 nan 0.000 0.646 801 E N -0.154 120.167 120.200 0.202 0.000 2.284 801 E HA -0.276 4.073 4.350 -0.001 0.000 0.200 801 E C 1.637 178.397 176.600 0.266 0.000 1.008 801 E CA 2.507 59.010 56.400 0.171 0.000 0.829 801 E CB -0.352 29.440 29.700 0.153 0.000 0.744 801 E HN 0.918 nan 8.360 nan 0.000 0.491 802 H N -0.191 119.002 119.070 0.206 0.000 2.539 802 H HA 0.184 4.739 4.556 -0.001 0.000 0.267 802 H C 0.924 176.403 175.328 0.251 0.000 0.982 802 H CA 1.197 57.403 56.048 0.263 0.000 1.146 802 H CB -0.360 29.480 29.762 0.129 0.000 1.382 802 H HN 0.356 nan 8.280 nan 0.000 0.577 803 T N -1.975 112.463 114.554 -0.193 0.000 3.129 803 T HA 0.230 4.579 4.350 -0.001 0.000 0.267 803 T C 0.355 175.063 174.700 0.013 0.000 1.018 803 T CA -0.393 61.629 62.100 -0.131 0.000 0.903 803 T CB -0.068 68.658 68.868 -0.237 0.000 1.067 803 T HN 0.124 nan 8.240 nan 0.000 0.549 804 I N 2.570 123.168 120.570 0.048 0.000 2.595 804 I HA 0.462 4.631 4.170 -0.001 0.000 0.275 804 I C 1.178 177.210 176.117 -0.141 0.000 1.092 804 I CA -1.140 60.156 61.300 -0.008 0.000 1.145 804 I CB 0.909 38.921 38.000 0.021 0.000 1.276 804 I HN 0.184 nan 8.210 nan 0.000 0.497 805 R N 4.411 124.817 120.500 -0.158 0.000 2.140 805 R HA -0.216 4.123 4.340 -0.001 0.000 0.250 805 R C 0.697 176.677 176.300 -0.534 0.000 1.150 805 R CA 2.221 58.112 56.100 -0.349 0.000 0.966 805 R CB 0.257 30.460 30.300 -0.162 0.000 0.869 805 R HN 0.597 nan 8.270 nan 0.000 0.445 806 N N -1.001 117.309 118.700 -0.650 0.000 2.412 806 N HA -0.060 4.679 4.740 -0.001 0.000 0.184 806 N C -0.338 174.440 175.510 -1.221 0.000 1.101 806 N CA 0.793 53.119 53.050 -1.205 0.000 0.881 806 N CB 0.449 37.721 38.487 -2.026 0.000 0.969 806 N HN 0.326 nan 8.380 nan 0.000 0.459 807 Y N -0.325 119.783 120.300 -0.319 0.000 2.720 807 Y HA 0.321 4.871 4.550 -0.001 0.000 0.264 807 Y C -2.306 173.444 175.900 -0.250 0.000 0.989 807 Y CA -2.099 55.877 58.100 -0.207 0.000 1.100 807 Y CB 0.601 39.011 38.460 -0.083 0.000 1.196 807 Y HN -0.063 nan 8.280 nan 0.000 0.631 808 P HA 0.071 nan 4.420 nan 0.000 0.271 808 P C 0.720 177.959 177.300 -0.103 0.000 1.244 808 P CA 0.912 63.903 63.100 -0.181 0.000 0.793 808 P CB 1.216 32.638 31.700 -0.463 0.000 0.984 809 A N -0.988 121.832 122.820 0.000 0.000 2.774 809 A HA -0.173 4.146 4.320 -0.001 0.000 0.290 809 A C 0.637 178.026 177.584 -0.325 0.000 1.484 809 A CA 1.803 53.795 52.037 -0.074 0.000 0.863 809 A CB -2.872 16.136 19.000 0.014 0.000 0.989 809 A HN 0.879 nan 8.150 nan 0.000 0.554 810 T N -5.669 108.713 114.554 -0.287 0.000 2.887 810 T HA 0.651 5.000 4.350 -0.001 0.000 0.292 810 T C 0.886 175.391 174.700 -0.325 0.000 1.087 810 T CA -0.189 61.676 62.100 -0.391 0.000 1.009 810 T CB 1.683 70.146 68.868 -0.676 0.000 1.203 810 T HN 0.619 nan 8.240 nan 0.000 0.518 811 V N 1.599 121.372 119.914 -0.236 0.000 2.379 811 V HA -0.146 3.973 4.120 -0.001 0.000 0.245 811 V C 2.752 178.800 176.094 -0.078 0.000 1.044 811 V CA 2.017 64.234 62.300 -0.139 0.000 1.036 811 V CB -1.224 30.545 31.823 -0.089 0.000 0.664 811 V HN 1.045 nan 8.190 nan 0.000 0.453 812 H N 0.309 119.415 119.070 0.059 0.000 2.357 812 H HA -0.044 4.511 4.556 -0.001 0.000 0.301 812 H C 2.381 177.695 175.328 -0.024 0.000 1.082 812 H CA 1.703 57.776 56.048 0.042 0.000 1.342 812 H CB -0.920 28.913 29.762 0.120 0.000 1.389 812 H HN 0.376 nan 8.280 nan 0.000 0.511 813 G N 1.007 109.547 108.800 -0.433 0.000 2.442 813 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.219 813 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.219 813 G C 2.026 176.873 174.900 -0.089 0.000 1.141 813 G CA 1.569 46.568 45.100 -0.167 0.000 0.763 813 G HN 0.659 nan 8.290 nan 0.000 0.554 814 A N 0.296 123.057 122.820 -0.098 0.000 1.898 814 A HA 0.106 4.425 4.320 -0.001 0.000 0.216 814 A C 2.354 179.917 177.584 -0.035 0.000 1.181 814 A CA 1.563 53.575 52.037 -0.042 0.000 0.620 814 A CB -0.424 18.552 19.000 -0.040 0.000 0.819 814 A HN 0.396 nan 8.150 nan 0.000 0.442 815 L N -0.098 121.105 121.223 -0.032 0.000 1.989 815 L HA -0.151 4.189 4.340 -0.001 0.000 0.211 815 L C 2.410 179.239 176.870 -0.068 0.000 1.071 815 L CA 1.804 56.631 54.840 -0.022 0.000 0.749 815 L CB -0.395 41.678 42.059 0.024 0.000 0.890 815 L HN 0.425 nan 8.230 nan 0.000 0.431 816 L N -0.739 120.427 121.223 -0.095 0.000 2.079 816 L HA -0.236 4.103 4.340 -0.001 0.000 0.210 816 L C 2.752 179.572 176.870 -0.083 0.000 1.081 816 L CA 1.539 56.299 54.840 -0.133 0.000 0.752 816 L CB -0.995 40.967 42.059 -0.163 0.000 0.896 816 L HN 0.553 nan 8.230 nan 0.000 0.433 817 S N 0.018 115.689 115.700 -0.049 0.000 2.382 817 S HA -0.130 4.339 4.470 -0.001 0.000 0.228 817 S C 2.084 176.664 174.600 -0.034 0.000 1.027 817 S CA 1.044 59.228 58.200 -0.027 0.000 0.991 817 S CB -0.971 62.219 63.200 -0.016 0.000 0.823 817 S HN 0.432 nan 8.310 nan 0.000 0.469 818 G N 2.226 110.999 108.800 -0.045 0.000 2.433 818 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.216 818 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.216 818 G C 1.505 176.357 174.900 -0.081 0.000 1.186 818 G CA 0.984 46.050 45.100 -0.056 0.000 0.779 818 G HN 0.517 nan 8.290 nan 0.000 0.543 819 L N 0.018 121.182 121.223 -0.099 0.000 2.079 819 L HA -0.089 4.250 4.340 -0.001 0.000 0.210 819 L C 2.921 179.733 176.870 -0.096 0.000 1.081 819 L CA 1.371 56.139 54.840 -0.120 0.000 0.752 819 L CB -0.501 41.444 42.059 -0.190 0.000 0.896 819 L HN 0.221 nan 8.230 nan 0.000 0.433 820 R N 0.426 120.881 120.500 -0.074 0.000 2.080 820 R HA -0.183 4.157 4.340 -0.001 0.000 0.236 820 R C 2.214 178.486 176.300 -0.046 0.000 1.137 820 R CA 1.635 57.709 56.100 -0.044 0.000 0.943 820 R CB -0.053 30.242 30.300 -0.009 0.000 0.846 820 R HN 0.274 nan 8.270 nan 0.000 0.431 821 E N 0.309 120.487 120.200 -0.037 0.000 2.153 821 E HA -0.134 4.216 4.350 -0.001 0.000 0.194 821 E C 1.795 178.320 176.600 -0.126 0.000 0.988 821 E CA 1.193 57.564 56.400 -0.049 0.000 0.811 821 E CB -0.247 29.442 29.700 -0.019 0.000 0.746 821 E HN 0.488 nan 8.360 nan 0.000 0.466 822 A N 0.858 123.611 122.820 -0.112 0.000 2.015 822 A HA -0.028 4.292 4.320 -0.001 0.000 0.219 822 A C 2.370 179.965 177.584 0.018 0.000 1.163 822 A CA 1.686 53.661 52.037 -0.102 0.000 0.646 822 A CB -0.720 18.180 19.000 -0.166 0.000 0.806 822 A HN 0.321 nan 8.150 nan 0.000 0.448 823 G N -0.605 108.168 108.800 -0.045 0.000 2.404 823 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.213 823 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.213 823 G C 1.688 176.494 174.900 -0.157 0.000 1.189 823 G CA 0.757 45.772 45.100 -0.142 0.000 0.796 823 G HN 0.529 nan 8.290 nan 0.000 0.532 824 R N 0.060 120.491 120.500 -0.115 0.000 2.105 824 R HA -0.024 4.315 4.340 -0.001 0.000 0.239 824 R C 2.432 178.687 176.300 -0.074 0.000 1.135 824 R CA 1.310 57.385 56.100 -0.041 0.000 0.967 824 R CB -0.318 30.018 30.300 0.060 0.000 0.861 824 R HN 0.434 nan 8.270 nan 0.000 0.442 825 I N 0.386 120.815 120.570 -0.235 0.000 2.193 825 I HA -0.178 3.991 4.170 -0.001 0.000 0.240 825 I C 2.585 178.721 176.117 0.032 0.000 1.084 825 I CA 1.106 62.231 61.300 -0.292 0.000 1.365 825 I CB -0.421 37.231 38.000 -0.581 0.000 1.064 825 I HN 0.268 nan 8.210 nan 0.000 0.410 826 A N 0.590 123.421 122.820 0.020 0.000 1.948 826 A HA -0.291 4.028 4.320 -0.001 0.000 0.220 826 A C 1.887 179.474 177.584 0.005 0.000 1.177 826 A CA 2.366 54.434 52.037 0.052 0.000 0.636 826 A CB -0.713 18.295 19.000 0.014 0.000 0.815 826 A HN 0.380 nan 8.150 nan 0.000 0.449 827 D N -0.706 119.676 120.400 -0.031 0.000 2.117 827 D HA -0.121 4.518 4.640 -0.001 0.000 0.197 827 D C 2.239 178.535 176.300 -0.006 0.000 0.987 827 D CA 1.222 55.205 54.000 -0.029 0.000 0.829 827 D CB -0.219 40.565 40.800 -0.026 0.000 0.961 827 D HN 0.408 nan 8.370 nan 0.000 0.460 828 Q N -0.679 119.140 119.800 0.031 0.000 2.049 828 Q HA -0.020 4.319 4.340 -0.001 0.000 0.198 828 Q C 2.150 177.987 176.000 -0.272 0.000 0.971 828 Q CA 0.896 56.646 55.803 -0.088 0.000 0.833 828 Q CB -0.354 28.366 28.738 -0.030 0.000 0.896 828 Q HN 0.405 nan 8.270 nan 0.000 0.434 829 F N -0.993 118.953 119.950 -0.008 0.000 2.619 829 F HA 0.014 4.540 4.527 -0.002 0.000 0.293 829 F C 1.564 177.359 175.800 -0.008 0.000 1.119 829 F CA 0.210 58.210 58.000 -0.001 0.000 1.445 829 F CB 0.383 39.378 39.000 -0.008 0.000 1.119 829 F HN -0.004 nan 8.300 nan 0.000 0.573 830 L N -1.117 120.173 121.223 0.111 0.000 2.749 830 L HA 0.466 4.805 4.340 -0.001 0.000 0.242 830 L C 1.056 177.923 176.870 -0.005 0.000 1.103 830 L CA 0.472 55.340 54.840 0.046 0.000 0.906 830 L CB -0.279 41.796 42.059 0.026 0.000 1.228 830 L HN 0.117 nan 8.230 nan 0.000 0.517 831 G N 0.000 108.788 108.800 -0.020 0.000 5.446 831 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 831 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 831 G CA 0.000 45.079 45.100 -0.035 0.000 0.502 831 G HN 0.000 nan 8.290 nan 0.000 0.925