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 1fm2_1_B DATA FIRST_RESID 170 DATA SEQUENCE SNSWAVAPGK TANGNALLLQ NPHLSWTTDY FTYYEAHLVT PDFEIYGATQ DATA SEQUENCE IGLPVIRFAF NQRXGITNTV NGXVGATNYR LTLQDGGYLY DGQVRPFERR DATA SEQUENCE QASYRLRQAD GSTVDKPLEI RSSVHGPVFE RADGTAVAVR VAGLDRPGXL DATA SEQUENCE EQYFDXITAH SFDDYEAAXA RXQVPTFNIV YADREGTINY SFNGVAPKRA DATA SEQUENCE EGDIAFWQGN VPGDSSRYLW TETHPLDDLP RVTNPPGGFV QNSNDPPWTP DATA SEQUENCE TWPVTYCPAN HPSYLAPQTP HSLRAQQSVR LXSENDDLTL ERFXALQFSH DATA SEQUENCE RAVXADRTLP DLIPAALIDP DPEVQAAARL LAAWDRDFTS DSRAALLFEE DATA SEQUENCE WARLFAGQNF AGQAAFATPW SLDKPVSTPY GVRDPKAAVD QLRTAIANTK DATA SEQUENCE RKYGAIDRPF GDASRXILND VNVPGAAGYG NLGSFRVFTW SDPDENGIRT DATA SEQUENCE PVHGETWVAX IEFSTPVRAY GLXSYGNSRQ PGTTHYSDQI ERVSRADFRE DATA SEQUENCE LLLRREQVEA AVQERTPFNF 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 170 S HA 0.000 nan 4.470 nan 0.000 0.327 170 S C 0.000 174.358 174.600 -0.403 0.000 1.055 170 S CA 0.000 57.861 58.200 -0.565 0.000 1.107 170 S CB 0.000 63.085 63.200 -0.191 0.000 0.593 171 N N 1.291 119.664 118.700 -0.545 0.000 2.328 171 N HA 0.816 5.557 4.740 0.001 0.000 0.299 171 N C -1.230 174.146 175.510 -0.223 0.000 1.179 171 N CA -0.699 52.113 53.050 -0.396 0.000 0.793 171 N CB 2.029 40.038 38.487 -0.798 0.000 1.366 171 N HN 0.798 nan 8.380 nan 0.000 0.493 172 S N -0.327 115.325 115.700 -0.079 0.000 2.562 172 S HA 0.615 5.086 4.470 0.001 0.000 0.274 172 S C -1.940 172.854 174.600 0.322 0.000 1.160 172 S CA -0.942 57.320 58.200 0.103 0.000 0.933 172 S CB 1.129 64.450 63.200 0.202 0.000 1.100 172 S HN 0.465 nan 8.310 nan 0.000 0.468 173 W N 1.144 122.605 121.300 0.269 0.000 3.022 173 W HA 0.808 5.469 4.660 0.001 0.000 0.335 173 W C -0.570 176.159 176.519 0.349 0.000 1.133 173 W CA -1.170 56.372 57.345 0.329 0.000 1.219 173 W CB 2.193 31.859 29.460 0.342 0.000 1.409 173 W HN 1.130 nan 8.180 nan 0.000 0.507 174 A N 2.403 125.534 122.820 0.519 0.000 2.381 174 A HA 0.783 5.104 4.320 0.001 0.000 0.299 174 A C -1.707 176.015 177.584 0.231 0.000 1.049 174 A CA -0.555 51.669 52.037 0.312 0.000 0.715 174 A CB 1.322 20.473 19.000 0.251 0.000 1.222 174 A HN 0.265 nan 8.150 nan 0.000 0.428 175 V N 2.036 121.994 119.914 0.074 0.000 2.495 175 V HA 0.688 4.809 4.120 0.001 0.000 0.298 175 V C 0.770 176.848 176.094 -0.027 0.000 1.031 175 V CA -0.353 61.950 62.300 0.006 0.000 0.871 175 V CB 1.467 33.185 31.823 -0.175 0.000 0.988 175 V HN 1.261 nan 8.190 nan 0.000 0.432 176 A N 6.111 128.932 122.820 0.003 0.000 2.351 176 A HA 0.565 4.886 4.320 0.001 0.000 0.257 176 A C -1.399 176.159 177.584 -0.043 0.000 1.087 176 A CA -1.118 50.905 52.037 -0.024 0.000 0.798 176 A CB 0.130 19.122 19.000 -0.013 0.000 1.033 176 A HN 0.700 nan 8.150 nan 0.000 0.488 177 P HA -0.196 nan 4.420 nan 0.000 0.216 177 P C 1.621 178.895 177.300 -0.043 0.000 1.154 177 P CA 2.221 65.293 63.100 -0.046 0.000 0.865 177 P CB 0.085 31.762 31.700 -0.037 0.000 0.789 178 G N -0.584 108.196 108.800 -0.034 0.000 2.470 178 G HA2 -0.251 3.710 3.960 0.001 0.000 0.220 178 G HA3 -0.251 3.710 3.960 0.001 0.000 0.220 178 G C 1.454 176.335 174.900 -0.032 0.000 1.121 178 G CA 0.499 45.582 45.100 -0.029 0.000 0.766 178 G HN 0.307 nan 8.290 nan 0.000 0.553 179 K N 0.615 120.994 120.400 -0.035 0.000 2.404 179 K HA 0.090 4.411 4.320 0.001 0.000 0.194 179 K C 0.622 177.177 176.600 -0.075 0.000 1.023 179 K CA 0.338 56.599 56.287 -0.044 0.000 1.094 179 K CB 0.106 32.592 32.500 -0.023 0.000 0.841 179 K HN 0.411 nan 8.250 nan 0.000 0.523 180 T N -4.392 110.115 114.554 -0.077 0.000 2.950 180 T HA 0.529 4.880 4.350 0.001 0.000 0.288 180 T C 1.023 175.680 174.700 -0.072 0.000 1.035 180 T CA -0.571 61.473 62.100 -0.094 0.000 1.028 180 T CB 1.871 70.672 68.868 -0.112 0.000 1.109 180 T HN -0.032 nan 8.240 nan 0.000 0.514 181 A N 1.285 124.062 122.820 -0.072 0.000 1.898 181 A HA 0.054 4.374 4.320 0.001 0.000 0.214 181 A C 2.053 179.608 177.584 -0.048 0.000 1.183 181 A CA 0.701 52.704 52.037 -0.056 0.000 0.622 181 A CB -0.726 18.241 19.000 -0.055 0.000 0.824 181 A HN 0.795 nan 8.150 nan 0.000 0.444 182 N N -0.924 117.745 118.700 -0.053 0.000 2.422 182 N HA 0.140 4.881 4.740 0.001 0.000 0.181 182 N C 1.075 176.563 175.510 -0.037 0.000 1.080 182 N CA 1.065 54.090 53.050 -0.042 0.000 0.893 182 N CB 0.370 38.831 38.487 -0.043 0.000 0.973 182 N HN 0.655 nan 8.380 nan 0.000 0.456 183 G N 0.746 109.519 108.800 -0.044 0.000 2.132 183 G HA2 -0.218 3.742 3.960 0.001 0.000 0.228 183 G HA3 -0.218 3.742 3.960 0.001 0.000 0.228 183 G C -0.454 174.427 174.900 -0.032 0.000 1.000 183 G CA -0.383 44.695 45.100 -0.036 0.000 0.693 183 G HN 0.281 nan 8.290 nan 0.000 0.515 184 N N 0.278 118.955 118.700 -0.039 0.000 2.269 184 N HA 0.677 5.418 4.740 0.001 0.000 0.304 184 N C 0.385 175.877 175.510 -0.031 0.000 1.072 184 N CA 0.226 53.266 53.050 -0.017 0.000 0.802 184 N CB 1.887 40.370 38.487 -0.006 0.000 1.348 184 N HN 0.621 nan 8.380 nan 0.000 0.484 185 A N 1.787 124.613 122.820 0.010 0.000 2.466 185 A HA 0.427 4.748 4.320 0.001 0.000 0.238 185 A C -0.027 177.570 177.584 0.022 0.000 1.074 185 A CA 0.111 52.147 52.037 -0.001 0.000 0.774 185 A CB 0.078 19.065 19.000 -0.021 0.000 1.015 185 A HN 0.630 nan 8.150 nan 0.000 0.498 186 L N 1.120 122.262 121.223 -0.135 0.000 2.354 186 L HA 0.688 5.029 4.340 0.001 0.000 0.269 186 L C -0.780 176.004 176.870 -0.142 0.000 1.005 186 L CA -0.796 53.835 54.840 -0.349 0.000 0.819 186 L CB 1.791 43.238 42.059 -1.020 0.000 1.311 186 L HN 0.684 nan 8.230 nan 0.000 0.423 187 L N 3.079 124.317 121.223 0.025 0.000 2.422 187 L HA 0.669 5.010 4.340 0.001 0.000 0.264 187 L C -1.645 175.474 176.870 0.416 0.000 0.984 187 L CA -0.455 54.553 54.840 0.281 0.000 0.819 187 L CB 2.123 44.364 42.059 0.305 0.000 1.330 187 L HN 0.478 nan 8.230 nan 0.000 0.410 188 L N 3.763 125.265 121.223 0.464 0.000 2.349 188 L HA 0.593 4.933 4.340 0.001 0.000 0.278 188 L C -1.105 175.847 176.870 0.136 0.000 0.996 188 L CA 0.094 55.081 54.840 0.245 0.000 0.825 188 L CB 1.747 43.867 42.059 0.101 0.000 1.243 188 L HN 0.720 nan 8.230 nan 0.000 0.412 189 Q N 4.668 124.507 119.800 0.065 0.000 2.325 189 Q HA 0.399 4.740 4.340 0.001 0.000 0.262 189 Q C -0.636 175.297 176.000 -0.112 0.000 0.968 189 Q CA -0.134 55.751 55.803 0.138 0.000 0.877 189 Q CB 1.345 30.288 28.738 0.340 0.000 1.253 189 Q HN 0.723 nan 8.270 nan 0.000 0.448 190 N N 2.730 121.346 118.700 -0.140 0.000 2.639 190 N HA 0.156 4.897 4.740 0.001 0.000 0.265 190 N C -2.772 172.450 175.510 -0.480 0.000 1.689 190 N CA -1.161 51.683 53.050 -0.343 0.000 0.813 190 N CB 1.053 39.290 38.487 -0.416 0.000 1.353 190 N HN 0.338 nan 8.380 nan 0.000 0.510 191 P HA 0.146 nan 4.420 nan 0.000 0.275 191 P C -1.246 175.883 177.300 -0.286 0.000 1.227 191 P CA 0.243 63.133 63.100 -0.350 0.000 0.781 191 P CB 0.935 32.357 31.700 -0.464 0.000 0.906 192 H N 2.860 121.858 119.070 -0.119 0.000 2.511 192 H HA 0.574 5.131 4.556 0.001 0.000 0.328 192 H C 0.222 175.409 175.328 -0.235 0.000 1.044 192 H CA -0.410 55.470 56.048 -0.280 0.000 1.212 192 H CB 0.964 30.513 29.762 -0.356 0.000 1.428 192 H HN 0.364 nan 8.280 nan 0.000 0.483 193 L N 0.494 121.659 121.223 -0.097 0.000 2.491 193 L HA 0.265 4.606 4.340 0.001 0.000 0.254 193 L C 0.393 177.412 176.870 0.248 0.000 1.048 193 L CA -1.048 53.816 54.840 0.041 0.000 0.855 193 L CB 2.251 44.252 42.059 -0.096 0.000 1.466 193 L HN 0.443 nan 8.230 nan 0.000 0.409 194 S N -0.478 115.446 115.700 0.372 0.000 2.558 194 S HA -0.038 4.432 4.470 0.001 0.000 0.291 194 S C 0.124 175.038 174.600 0.523 0.000 1.306 194 S CA 0.266 58.720 58.200 0.423 0.000 1.056 194 S CB 0.245 63.663 63.200 0.365 0.000 0.836 194 S HN 0.471 nan 8.310 nan 0.000 0.504 195 W N 2.344 123.758 121.300 0.192 0.000 3.139 195 W HA 0.162 4.823 4.660 0.002 0.000 0.260 195 W C 2.339 178.896 176.519 0.063 0.000 1.312 195 W CA 0.602 58.088 57.345 0.235 0.000 1.606 195 W CB -0.933 28.677 29.460 0.249 0.000 1.118 195 W HN 0.962 nan 8.180 nan 0.000 0.675 196 T N -6.174 108.523 114.554 0.238 0.000 2.987 196 T HA 0.095 4.446 4.350 0.001 0.000 0.248 196 T C 0.908 175.580 174.700 -0.048 0.000 0.997 196 T CA 0.156 62.303 62.100 0.078 0.000 1.013 196 T CB -0.419 68.503 68.868 0.090 0.000 1.077 196 T HN -0.287 nan 8.240 nan 0.000 0.483 197 T N 4.621 119.141 114.554 -0.057 0.000 2.738 197 T HA 0.076 4.427 4.350 0.001 0.000 0.277 197 T C 1.123 175.587 174.700 -0.393 0.000 0.981 197 T CA 0.483 62.402 62.100 -0.300 0.000 1.211 197 T CB 0.558 69.195 68.868 -0.386 0.000 0.932 197 T HN 0.555 nan 8.240 nan 0.000 0.522 198 D N 3.841 124.002 120.400 -0.398 0.000 2.133 198 D HA -0.278 4.363 4.640 0.001 0.000 0.192 198 D C 1.648 177.797 176.300 -0.251 0.000 1.001 198 D CA 1.845 55.675 54.000 -0.283 0.000 0.844 198 D CB -0.705 39.982 40.800 -0.189 0.000 0.944 198 D HN 0.841 nan 8.370 nan 0.000 0.447 199 Y N -1.736 118.444 120.300 -0.201 0.000 2.616 199 Y HA 0.242 4.793 4.550 0.001 0.000 0.296 199 Y C 1.636 177.478 175.900 -0.097 0.000 1.154 199 Y CA -0.251 57.733 58.100 -0.195 0.000 1.325 199 Y CB -1.232 37.073 38.460 -0.258 0.000 1.007 199 Y HN 0.012 nan 8.280 nan 0.000 0.542 200 F N 0.261 120.117 119.950 -0.157 0.000 2.695 200 F HA 0.179 4.707 4.527 0.001 0.000 0.303 200 F C 0.582 176.168 175.800 -0.357 0.000 1.091 200 F CA -0.553 57.339 58.000 -0.181 0.000 1.300 200 F CB 0.338 39.270 39.000 -0.113 0.000 1.071 200 F HN -0.151 nan 8.300 nan 0.000 0.578 201 T N 0.900 115.385 114.554 -0.116 0.000 2.834 201 T HA 0.066 4.417 4.350 0.001 0.000 0.298 201 T C -0.535 174.101 174.700 -0.107 0.000 0.966 201 T CA 0.301 62.294 62.100 -0.178 0.000 1.141 201 T CB 0.170 68.903 68.868 -0.225 0.000 0.905 201 T HN 0.016 nan 8.240 nan 0.000 0.535 202 Y N 1.603 122.036 120.300 0.222 0.000 2.335 202 Y HA 0.470 5.021 4.550 0.002 0.000 0.323 202 Y C -0.156 175.856 175.900 0.188 0.000 1.224 202 Y CA -0.923 57.267 58.100 0.151 0.000 1.241 202 Y CB 0.983 39.476 38.460 0.055 0.000 1.235 202 Y HN 0.586 nan 8.280 nan 0.000 0.492 203 Y N 1.979 122.335 120.300 0.093 0.000 2.406 203 Y HA 0.299 4.850 4.550 0.002 0.000 0.340 203 Y C -0.835 174.937 175.900 -0.214 0.000 0.975 203 Y CA -1.496 56.581 58.100 -0.038 0.000 1.056 203 Y CB 1.439 39.872 38.460 -0.045 0.000 1.210 203 Y HN 0.641 nan 8.280 nan 0.000 0.448 204 E N 4.255 124.028 120.200 -0.711 0.000 2.216 204 E HA 0.759 5.109 4.350 0.001 0.000 0.279 204 E C -1.422 174.592 176.600 -0.976 0.000 0.997 204 E CA -0.449 55.443 56.400 -0.847 0.000 0.817 204 E CB 0.930 30.250 29.700 -0.634 0.000 1.096 204 E HN 0.821 nan 8.360 nan 0.000 0.393 205 A N 3.692 126.009 122.820 -0.837 0.000 2.599 205 A HA 0.486 4.806 4.320 0.001 0.000 0.290 205 A C -1.921 175.270 177.584 -0.655 0.000 1.101 205 A CA -0.689 50.962 52.037 -0.642 0.000 0.674 205 A CB 1.565 20.322 19.000 -0.404 0.000 1.277 205 A HN 0.740 nan 8.150 nan 0.000 0.419 206 H N -0.021 118.764 119.070 -0.476 0.000 2.840 206 H HA 0.704 5.261 4.556 0.001 0.000 0.340 206 H C -2.149 173.121 175.328 -0.097 0.000 1.004 206 H CA -0.749 55.118 56.048 -0.302 0.000 1.288 206 H CB 0.948 30.639 29.762 -0.119 0.000 1.607 206 H HN 0.471 nan 8.280 nan 0.000 0.522 207 L N 5.510 126.671 121.223 -0.102 0.000 2.322 207 L HA 0.606 4.947 4.340 0.001 0.000 0.281 207 L C -0.754 175.974 176.870 -0.237 0.000 1.014 207 L CA -0.709 54.061 54.840 -0.115 0.000 0.815 207 L CB 1.919 44.060 42.059 0.136 0.000 1.247 207 L HN 0.480 nan 8.230 nan 0.000 0.421 208 V N 1.482 121.199 119.914 -0.328 0.000 2.623 208 V HA 0.792 4.912 4.120 0.001 0.000 0.304 208 V C -0.121 175.754 176.094 -0.364 0.000 1.054 208 V CA -0.502 61.589 62.300 -0.348 0.000 0.882 208 V CB 2.033 33.673 31.823 -0.305 0.000 1.002 208 V HN 0.884 nan 8.190 nan 0.000 0.424 209 T N 1.855 116.107 114.554 -0.503 0.000 2.831 209 T HA 0.594 4.945 4.350 0.001 0.000 0.287 209 T C -2.358 172.200 174.700 -0.235 0.000 1.070 209 T CA -1.800 60.063 62.100 -0.395 0.000 1.010 209 T CB 2.124 70.644 68.868 -0.579 0.000 1.264 209 T HN 0.317 nan 8.240 nan 0.000 0.532 210 P HA 0.111 nan 4.420 nan 0.000 0.223 210 P C 0.521 177.820 177.300 -0.003 0.000 1.151 210 P CA 0.759 63.832 63.100 -0.045 0.000 0.787 210 P CB 0.096 31.789 31.700 -0.012 0.000 0.788 211 D N -1.854 118.551 120.400 0.010 0.000 2.392 211 D HA 0.131 4.772 4.640 0.001 0.000 0.206 211 D C 0.495 176.941 176.300 0.243 0.000 1.046 211 D CA 0.454 54.540 54.000 0.143 0.000 0.865 211 D CB 0.337 41.272 40.800 0.226 0.000 0.969 211 D HN 0.263 nan 8.370 nan 0.000 0.509 212 F N -0.269 119.729 119.950 0.080 0.000 2.713 212 F HA 0.610 5.138 4.527 0.002 0.000 0.311 212 F C -1.462 174.365 175.800 0.046 0.000 1.141 212 F CA -1.285 56.743 58.000 0.048 0.000 0.939 212 F CB 1.672 40.695 39.000 0.039 0.000 1.325 212 F HN -0.307 nan 8.300 nan 0.000 0.453 213 E N 2.266 122.664 120.200 0.330 0.000 2.308 213 E HA 0.741 5.092 4.350 0.001 0.000 0.275 213 E C -2.072 174.716 176.600 0.313 0.000 0.890 213 E CA -0.720 55.820 56.400 0.232 0.000 0.754 213 E CB 2.533 32.329 29.700 0.160 0.000 1.207 213 E HN 0.793 nan 8.360 nan 0.000 0.426 214 I N 3.678 124.433 120.570 0.309 0.000 2.692 214 I HA 0.372 4.543 4.170 0.001 0.000 0.293 214 I C -1.564 174.661 176.117 0.181 0.000 1.200 214 I CA -0.907 60.516 61.300 0.205 0.000 1.036 214 I CB 2.094 40.214 38.000 0.200 0.000 1.258 214 I HN 0.580 nan 8.210 nan 0.000 0.421 215 Y N 3.888 124.066 120.300 -0.204 0.000 2.477 215 Y HA 0.854 5.405 4.550 0.002 0.000 0.347 215 Y C 0.091 175.737 175.900 -0.425 0.000 0.981 215 Y CA 0.037 57.908 58.100 -0.381 0.000 1.033 215 Y CB 2.289 40.257 38.460 -0.820 0.000 1.245 215 Y HN 0.771 nan 8.280 nan 0.000 0.455 216 G N 1.637 110.148 108.800 -0.482 0.000 2.356 216 G HA2 0.474 4.434 3.960 0.001 0.000 0.288 216 G HA3 0.474 4.434 3.960 0.001 0.000 0.288 216 G C -2.119 172.409 174.900 -0.619 0.000 1.302 216 G CA -0.376 44.559 45.100 -0.274 0.000 0.887 216 G HN 1.029 nan 8.290 nan 0.000 0.521 217 A N -1.112 121.287 122.820 -0.702 0.000 2.337 217 A HA 0.991 5.312 4.320 0.001 0.000 0.331 217 A C 0.045 177.542 177.584 -0.145 0.000 1.137 217 A CA 0.245 51.861 52.037 -0.702 0.000 0.807 217 A CB 2.078 20.262 19.000 -1.360 0.000 1.250 217 A HN 1.861 nan 8.150 nan 0.000 0.468 218 T N -0.188 114.397 114.554 0.052 0.000 2.802 218 T HA 0.442 4.793 4.350 0.001 0.000 0.311 218 T C -1.288 173.606 174.700 0.323 0.000 1.405 218 T CA -0.438 61.807 62.100 0.242 0.000 1.016 218 T CB 1.222 70.143 68.868 0.087 0.000 1.352 218 T HN 0.705 nan 8.240 nan 0.000 0.498 219 Q N 1.959 121.907 119.800 0.246 0.000 2.332 219 Q HA 0.454 4.795 4.340 0.001 0.000 0.263 219 Q C 0.409 176.445 176.000 0.060 0.000 0.979 219 Q CA -0.226 55.630 55.803 0.089 0.000 0.885 219 Q CB 0.295 29.077 28.738 0.073 0.000 1.218 219 Q HN 0.643 nan 8.270 nan 0.000 0.405 220 I N -1.034 119.544 120.570 0.014 0.000 2.845 220 I HA 0.195 4.366 4.170 0.001 0.000 0.296 220 I C 1.102 177.191 176.117 -0.046 0.000 1.216 220 I CA 0.778 62.047 61.300 -0.051 0.000 1.438 220 I CB -0.036 37.898 38.000 -0.110 0.000 1.342 220 I HN 0.802 nan 8.210 nan 0.000 0.577 221 G N 4.807 113.563 108.800 -0.074 0.000 2.234 221 G HA2 -0.213 3.747 3.960 0.001 0.000 0.235 221 G HA3 -0.213 3.747 3.960 0.001 0.000 0.235 221 G C 0.101 174.977 174.900 -0.039 0.000 0.997 221 G CA 0.001 45.066 45.100 -0.059 0.000 0.623 221 G HN 0.641 nan 8.290 nan 0.000 0.514 222 L N 2.207 123.418 121.223 -0.020 0.000 2.305 222 L HA 0.354 4.695 4.340 0.001 0.000 0.281 222 L C -0.406 176.449 176.870 -0.025 0.000 1.085 222 L CA -1.452 53.378 54.840 -0.017 0.000 0.813 222 L CB 1.310 43.364 42.059 -0.007 0.000 1.157 222 L HN 0.034 nan 8.230 nan 0.000 0.436 223 P HA 0.040 nan 4.420 nan 0.000 0.249 223 P C -0.029 177.251 177.300 -0.034 0.000 1.229 223 P CA 0.404 63.475 63.100 -0.049 0.000 0.788 223 P CB 0.579 32.235 31.700 -0.075 0.000 1.072 224 V N 0.968 120.872 119.914 -0.016 0.000 2.823 224 V HA 0.323 4.444 4.120 0.001 0.000 0.312 224 V C 0.380 176.468 176.094 -0.010 0.000 1.072 224 V CA -1.019 61.295 62.300 0.023 0.000 0.937 224 V CB 2.654 34.518 31.823 0.068 0.000 1.013 224 V HN -0.161 nan 8.190 nan 0.000 0.430 225 I N 3.928 124.512 120.570 0.023 0.000 2.322 225 I HA 0.328 4.498 4.170 0.001 0.000 0.292 225 I C 1.406 177.499 176.117 -0.041 0.000 1.060 225 I CA -0.117 61.180 61.300 -0.006 0.000 1.309 225 I CB 0.699 38.699 38.000 0.000 0.000 1.415 225 I HN 0.652 nan 8.210 nan 0.000 0.492 226 R N 4.142 124.568 120.500 -0.123 0.000 2.093 226 R HA 0.029 4.370 4.340 0.001 0.000 0.224 226 R C -0.057 176.096 176.300 -0.244 0.000 1.101 226 R CA 1.179 57.077 56.100 -0.335 0.000 0.979 226 R CB 0.051 30.064 30.300 -0.479 0.000 0.877 226 R HN 0.375 nan 8.270 nan 0.000 0.441 227 F N 0.911 120.844 119.950 -0.029 0.000 2.318 227 F HA 0.420 4.947 4.527 0.001 0.000 0.356 227 F C 0.173 176.063 175.800 0.150 0.000 1.109 227 F CA -0.730 57.321 58.000 0.084 0.000 1.234 227 F CB 0.972 40.002 39.000 0.050 0.000 1.545 227 F HN -0.041 nan 8.300 nan 0.000 0.534 228 A N 2.854 125.840 122.820 0.277 0.000 2.386 228 A HA 0.972 5.293 4.320 0.001 0.000 0.308 228 A C -1.182 176.635 177.584 0.388 0.000 1.128 228 A CA -0.581 51.607 52.037 0.252 0.000 0.789 228 A CB 1.730 20.805 19.000 0.125 0.000 1.325 228 A HN 0.539 nan 8.150 nan 0.000 0.437 229 F N -0.576 119.525 119.950 0.253 0.000 2.713 229 F HA 0.787 5.314 4.527 0.001 0.000 0.311 229 F C -0.789 175.148 175.800 0.228 0.000 1.141 229 F CA -0.869 57.283 58.000 0.253 0.000 0.939 229 F CB 0.974 40.129 39.000 0.259 0.000 1.325 229 F HN 0.789 nan 8.300 nan 0.000 0.453 230 N N -1.093 117.853 118.700 0.411 0.000 3.587 230 N HA 0.227 4.968 4.740 0.001 0.000 0.339 230 N C -0.186 175.529 175.510 0.342 0.000 1.636 230 N CA -0.652 52.543 53.050 0.242 0.000 0.788 230 N CB 0.148 38.728 38.487 0.156 0.000 2.205 230 N HN 0.508 nan 8.380 nan 0.000 0.600 231 Q N -0.688 119.240 119.800 0.214 0.000 2.364 231 Q HA 0.108 4.449 4.340 0.001 0.000 0.207 231 Q C 0.120 176.260 176.000 0.232 0.000 0.970 231 Q CA 0.998 56.916 55.803 0.193 0.000 0.888 231 Q CB -0.001 28.807 28.738 0.118 0.000 0.951 231 Q HN 0.369 nan 8.270 nan 0.000 0.469 235 I N -1.974 118.705 120.570 0.181 0.000 3.095 235 I HA 0.962 5.132 4.170 0.001 0.000 0.310 235 I C -0.691 175.529 176.117 0.171 0.000 1.196 235 I CA -1.014 60.386 61.300 0.167 0.000 0.985 235 I CB 2.454 40.581 38.000 0.213 0.000 1.250 235 I HN 0.699 nan 8.210 nan 0.000 0.446 236 T N 1.141 115.764 114.554 0.116 0.000 2.843 236 T HA 0.514 4.865 4.350 0.001 0.000 0.302 236 T C -1.586 173.058 174.700 -0.092 0.000 1.232 236 T CA -0.698 61.423 62.100 0.036 0.000 1.009 236 T CB 1.740 70.757 68.868 0.247 0.000 1.254 236 T HN 0.841 nan 8.240 nan 0.000 0.504 237 N N 1.250 119.786 118.700 -0.273 0.000 2.262 237 N HA 0.649 5.390 4.740 0.001 0.000 0.295 237 N C -1.175 174.389 175.510 0.091 0.000 1.161 237 N CA -0.670 52.272 53.050 -0.180 0.000 0.767 237 N CB 2.385 40.525 38.487 -0.578 0.000 1.499 237 N HN 0.832 nan 8.380 nan 0.000 0.476 238 T N -2.986 111.657 114.554 0.148 0.000 2.900 238 T HA 0.382 4.733 4.350 0.001 0.000 0.303 238 T C -0.486 174.394 174.700 0.300 0.000 1.142 238 T CA -0.642 61.576 62.100 0.197 0.000 1.007 238 T CB 1.102 70.063 68.868 0.155 0.000 1.156 238 T HN 0.087 nan 8.240 nan 0.000 0.490 239 V N 3.161 123.249 119.914 0.289 0.000 2.572 239 V HA 0.256 4.377 4.120 0.001 0.000 0.291 239 V C 1.366 177.540 176.094 0.134 0.000 1.039 239 V CA 0.293 62.754 62.300 0.269 0.000 1.055 239 V CB 0.467 32.414 31.823 0.206 0.000 0.969 239 V HN 1.083 nan 8.190 nan 0.000 0.482 240 N N 3.650 122.365 118.700 0.023 0.000 2.181 240 N HA 0.335 5.075 4.740 0.001 0.000 0.207 240 N C 0.774 176.277 175.510 -0.013 0.000 1.182 240 N CA 0.174 53.213 53.050 -0.019 0.000 0.893 240 N CB 0.795 39.100 38.487 -0.303 0.000 1.032 240 N HN 0.858 nan 8.380 nan 0.000 0.513 244 G N 1.400 110.158 108.800 -0.070 0.000 3.141 244 G HA2 0.601 4.562 3.960 0.001 0.000 0.218 244 G HA3 0.601 4.562 3.960 0.001 0.000 0.218 244 G C 0.369 175.267 174.900 -0.005 0.000 1.170 244 G CA 0.765 45.812 45.100 -0.089 0.000 0.769 244 G HN 1.085 nan 8.290 nan 0.000 0.546 245 A N -0.803 122.046 122.820 0.048 0.000 2.556 245 A HA 0.824 5.145 4.320 0.001 0.000 0.294 245 A C -0.762 176.950 177.584 0.213 0.000 1.091 245 A CA -0.456 51.692 52.037 0.186 0.000 0.704 245 A CB 1.596 20.672 19.000 0.127 0.000 1.300 245 A HN 0.034 nan 8.150 nan 0.000 0.406 246 T N 2.107 116.865 114.554 0.340 0.000 2.881 246 T HA 0.453 4.804 4.350 0.001 0.000 0.290 246 T C -0.904 173.832 174.700 0.059 0.000 1.000 246 T CA -0.638 61.585 62.100 0.205 0.000 0.978 246 T CB 1.018 70.111 68.868 0.375 0.000 0.997 246 T HN 0.557 nan 8.240 nan 0.000 0.443 247 N N 2.472 121.114 118.700 -0.097 0.000 2.437 247 N HA 0.343 5.084 4.740 0.001 0.000 0.259 247 N C -1.318 174.069 175.510 -0.204 0.000 0.983 247 N CA -0.313 52.701 53.050 -0.061 0.000 0.937 247 N CB 1.194 39.647 38.487 -0.057 0.000 1.122 247 N HN 0.515 nan 8.380 nan 0.000 0.499 248 Y N 0.456 120.698 120.300 -0.097 0.000 2.342 248 Y HA 0.320 4.871 4.550 0.001 0.000 0.334 248 Y C 1.004 176.801 175.900 -0.172 0.000 1.067 248 Y CA -0.825 57.158 58.100 -0.196 0.000 1.128 248 Y CB 1.457 39.659 38.460 -0.429 0.000 1.200 248 Y HN 0.207 nan 8.280 nan 0.000 0.464 249 R N 4.357 124.859 120.500 0.002 0.000 2.216 249 R HA 0.424 4.765 4.340 0.001 0.000 0.332 249 R C -1.384 174.935 176.300 0.031 0.000 1.056 249 R CA -0.261 55.841 56.100 0.002 0.000 0.901 249 R CB 0.137 30.424 30.300 -0.021 0.000 1.039 249 R HN 0.780 nan 8.270 nan 0.000 0.456 250 L N 3.321 124.571 121.223 0.044 0.000 2.357 250 L HA 0.315 4.656 4.340 0.001 0.000 0.273 250 L C 0.210 177.160 176.870 0.134 0.000 1.080 250 L CA -0.560 54.335 54.840 0.091 0.000 0.803 250 L CB 1.903 44.022 42.059 0.100 0.000 1.174 250 L HN 0.619 nan 8.230 nan 0.000 0.443 251 T N 4.019 118.680 114.554 0.178 0.000 2.929 251 T HA 0.407 4.758 4.350 0.001 0.000 0.331 251 T C 0.161 174.968 174.700 0.180 0.000 1.120 251 T CA -0.465 61.727 62.100 0.153 0.000 0.973 251 T CB -0.052 68.897 68.868 0.135 0.000 1.036 251 T HN 0.261 nan 8.240 nan 0.000 0.502 252 L N 3.370 124.699 121.223 0.175 0.000 2.453 252 L HA 0.392 4.733 4.340 0.001 0.000 0.272 252 L C 0.487 177.432 176.870 0.125 0.000 1.182 252 L CA 0.050 55.006 54.840 0.194 0.000 0.858 252 L CB 0.379 42.556 42.059 0.197 0.000 1.120 252 L HN 0.566 nan 8.230 nan 0.000 0.474 253 Q N 2.615 122.476 119.800 0.102 0.000 2.429 253 Q HA 0.099 4.440 4.340 0.001 0.000 0.247 253 Q C -1.501 174.519 176.000 0.033 0.000 0.915 253 Q CA -0.607 55.230 55.803 0.056 0.000 0.971 253 Q CB 1.426 30.185 28.738 0.036 0.000 1.468 253 Q HN 0.696 nan 8.270 nan 0.000 0.439 254 D N 3.083 123.505 120.400 0.036 0.000 2.689 254 D HA -0.225 4.416 4.640 0.001 0.000 0.237 254 D C 0.731 177.052 176.300 0.035 0.000 1.148 254 D CA 1.857 55.871 54.000 0.025 0.000 0.656 254 D CB -1.190 39.610 40.800 0.000 0.000 1.050 254 D HN 1.134 nan 8.370 nan 0.000 0.426 255 G N -1.585 107.262 108.800 0.078 0.000 2.245 255 G HA2 -0.243 3.718 3.960 0.001 0.000 0.264 255 G HA3 -0.243 3.718 3.960 0.001 0.000 0.264 255 G C 0.702 175.713 174.900 0.185 0.000 0.985 255 G CA 0.843 46.016 45.100 0.122 0.000 0.625 255 G HN 0.999 nan 8.290 nan 0.000 0.536 256 G N -0.891 107.946 108.800 0.061 0.000 3.211 256 G HA2 0.826 4.787 3.960 0.001 0.000 0.167 256 G HA3 0.826 4.787 3.960 0.001 0.000 0.167 256 G C -0.678 174.136 174.900 -0.143 0.000 1.212 256 G CA -0.263 44.741 45.100 -0.160 0.000 0.928 256 G HN 1.313 nan 8.290 nan 0.000 0.607 257 Y N -1.699 118.345 120.300 -0.427 0.000 2.492 257 Y HA 0.735 5.286 4.550 0.002 0.000 0.346 257 Y C -0.871 174.982 175.900 -0.079 0.000 0.997 257 Y CA -1.626 56.349 58.100 -0.207 0.000 1.025 257 Y CB 1.699 40.004 38.460 -0.258 0.000 1.263 257 Y HN 0.444 nan 8.280 nan 0.000 0.454 258 L N 4.550 125.835 121.223 0.104 0.000 2.418 258 L HA 0.331 4.671 4.340 0.001 0.000 0.274 258 L C -1.477 175.528 176.870 0.225 0.000 1.135 258 L CA 0.031 54.916 54.840 0.076 0.000 0.870 258 L CB -0.278 41.832 42.059 0.085 0.000 1.154 258 L HN 0.739 nan 8.230 nan 0.000 0.462 259 Y N 4.386 124.663 120.300 -0.038 0.000 2.361 259 Y HA 0.294 4.845 4.550 0.001 0.000 0.328 259 Y C -0.122 175.773 175.900 -0.008 0.000 1.044 259 Y CA -1.062 57.058 58.100 0.033 0.000 1.085 259 Y CB 0.950 39.411 38.460 0.003 0.000 1.194 259 Y HN 0.781 nan 8.280 nan 0.000 0.438 260 D N 4.496 124.689 120.400 -0.345 0.000 2.686 260 D HA -0.186 4.455 4.640 0.001 0.000 0.235 260 D C 1.218 177.460 176.300 -0.096 0.000 1.160 260 D CA 2.105 55.956 54.000 -0.248 0.000 0.645 260 D CB -1.065 39.564 40.800 -0.285 0.000 1.039 260 D HN 1.263 nan 8.370 nan 0.000 0.423 261 G N -1.106 107.661 108.800 -0.055 0.000 2.184 261 G HA2 -0.329 3.632 3.960 0.001 0.000 0.264 261 G HA3 -0.329 3.632 3.960 0.001 0.000 0.264 261 G C 0.125 175.010 174.900 -0.026 0.000 0.975 261 G CA 0.595 45.677 45.100 -0.029 0.000 0.642 261 G HN 0.447 nan 8.290 nan 0.000 0.536 262 Q N -0.506 119.277 119.800 -0.029 0.000 2.397 262 Q HA 0.582 4.923 4.340 0.001 0.000 0.275 262 Q C -0.162 175.788 176.000 -0.084 0.000 1.090 262 Q CA -0.792 54.983 55.803 -0.046 0.000 0.809 262 Q CB 2.467 31.178 28.738 -0.045 0.000 1.362 262 Q HN 0.231 nan 8.270 nan 0.000 0.431 263 V N 2.621 122.469 119.914 -0.110 0.000 2.439 263 V HA 0.191 4.312 4.120 0.001 0.000 0.271 263 V C 0.567 176.485 176.094 -0.294 0.000 1.040 263 V CA 0.098 62.288 62.300 -0.183 0.000 1.002 263 V CB 0.247 31.996 31.823 -0.124 0.000 1.000 263 V HN 0.408 nan 8.190 nan 0.000 0.477 264 R N 5.539 125.696 120.500 -0.571 0.000 2.474 264 R HA 0.444 4.785 4.340 0.001 0.000 0.295 264 R C -2.602 173.271 176.300 -0.712 0.000 0.980 264 R CA -1.788 53.885 56.100 -0.712 0.000 0.934 264 R CB 2.047 31.661 30.300 -1.143 0.000 1.101 264 R HN 0.423 nan 8.270 nan 0.000 0.469 265 P HA 0.180 nan 4.420 nan 0.000 0.281 265 P C -0.757 176.472 177.300 -0.118 0.000 1.249 265 P CA -0.235 62.741 63.100 -0.207 0.000 0.810 265 P CB 0.534 32.182 31.700 -0.086 0.000 1.008 266 F N 0.161 120.172 119.950 0.103 0.000 2.380 266 F HA 0.205 4.733 4.527 0.001 0.000 0.325 266 F C 1.423 177.252 175.800 0.049 0.000 1.136 266 F CA -0.131 57.955 58.000 0.144 0.000 1.171 266 F CB 0.645 39.706 39.000 0.101 0.000 1.230 266 F HN 0.190 nan 8.300 nan 0.000 0.554 267 E N 1.771 122.126 120.200 0.258 0.000 2.259 267 E HA 0.382 4.733 4.350 0.001 0.000 0.281 267 E C -0.819 175.834 176.600 0.089 0.000 1.027 267 E CA -0.552 55.916 56.400 0.114 0.000 0.838 267 E CB 1.093 30.830 29.700 0.061 0.000 1.066 267 E HN 0.417 nan 8.360 nan 0.000 0.401 268 R N 2.444 122.973 120.500 0.049 0.000 2.532 268 R HA 0.434 4.775 4.340 0.001 0.000 0.297 268 R C -0.566 175.730 176.300 -0.008 0.000 0.984 268 R CA -0.746 55.359 56.100 0.008 0.000 0.884 268 R CB 2.208 32.518 30.300 0.016 0.000 1.182 268 R HN 0.334 nan 8.270 nan 0.000 0.442 269 R N 2.116 122.600 120.500 -0.027 0.000 2.513 269 R HA 0.216 4.557 4.340 0.001 0.000 0.301 269 R C -1.018 175.266 176.300 -0.027 0.000 0.968 269 R CA -0.536 55.551 56.100 -0.022 0.000 0.872 269 R CB 1.595 31.881 30.300 -0.022 0.000 1.177 269 R HN 0.579 nan 8.270 nan 0.000 0.444 270 Q N 2.815 122.602 119.800 -0.020 0.000 2.377 270 Q HA 0.420 4.761 4.340 0.001 0.000 0.249 270 Q C -0.726 175.265 176.000 -0.015 0.000 1.005 270 Q CA -0.385 55.405 55.803 -0.021 0.000 0.912 270 Q CB 1.881 30.607 28.738 -0.021 0.000 1.223 270 Q HN 0.654 nan 8.270 nan 0.000 0.459 271 A N 2.260 125.075 122.820 -0.008 0.000 2.468 271 A HA 0.900 5.221 4.320 0.001 0.000 0.277 271 A C -0.472 177.117 177.584 0.008 0.000 1.203 271 A CA -0.421 51.621 52.037 0.008 0.000 0.932 271 A CB 1.530 20.546 19.000 0.026 0.000 1.438 271 A HN 0.697 nan 8.150 nan 0.000 0.468 272 S N -1.968 113.750 115.700 0.030 0.000 2.587 272 S HA 0.713 5.184 4.470 0.001 0.000 0.269 272 S C -1.198 173.445 174.600 0.073 0.000 1.154 272 S CA -0.370 57.818 58.200 -0.021 0.000 0.824 272 S CB 0.876 64.031 63.200 -0.075 0.000 1.118 272 S HN 2.000 nan 8.310 nan 0.000 0.462 273 Y N -1.172 119.120 120.300 -0.013 0.000 2.597 273 Y HA 0.898 5.449 4.550 0.002 0.000 0.340 273 Y C -0.944 174.950 175.900 -0.009 0.000 1.097 273 Y CA -1.295 56.798 58.100 -0.010 0.000 1.037 273 Y CB 0.703 39.158 38.460 -0.009 0.000 1.305 273 Y HN 0.697 nan 8.280 nan 0.000 0.463 274 R N 1.611 122.206 120.500 0.159 0.000 2.404 274 R HA 0.606 4.947 4.340 0.001 0.000 0.291 274 R C -1.596 174.809 176.300 0.175 0.000 1.025 274 R CA -0.915 55.228 56.100 0.073 0.000 0.991 274 R CB 1.225 31.555 30.300 0.050 0.000 1.053 274 R HN 0.790 nan 8.270 nan 0.000 0.479 275 L N 2.406 123.682 121.223 0.089 0.000 2.343 275 L HA 0.470 4.811 4.340 0.001 0.000 0.278 275 L C -0.222 176.680 176.870 0.055 0.000 0.996 275 L CA -0.400 54.510 54.840 0.117 0.000 0.831 275 L CB 1.146 43.272 42.059 0.112 0.000 1.232 275 L HN 0.529 nan 8.230 nan 0.000 0.413 276 R N 3.393 123.923 120.500 0.050 0.000 2.623 276 R HA 0.196 4.537 4.340 0.001 0.000 0.271 276 R C -0.533 175.779 176.300 0.020 0.000 1.043 276 R CA -0.147 55.969 56.100 0.027 0.000 1.083 276 R CB 0.541 30.853 30.300 0.021 0.000 0.974 276 R HN 0.621 nan 8.270 nan 0.000 0.436 277 Q N 1.802 121.608 119.800 0.011 0.000 2.195 277 Q HA 0.250 4.591 4.340 0.001 0.000 0.250 277 Q C 0.692 176.695 176.000 0.004 0.000 0.988 277 Q CA 0.014 55.821 55.803 0.007 0.000 0.911 277 Q CB 1.483 30.222 28.738 0.002 0.000 1.258 277 Q HN 0.804 nan 8.270 nan 0.000 0.475 278 A N 0.902 123.724 122.820 0.003 0.000 2.070 278 A HA -0.174 4.147 4.320 0.001 0.000 0.220 278 A C 0.894 178.478 177.584 -0.001 0.000 1.159 278 A CA 1.923 53.961 52.037 0.001 0.000 0.656 278 A CB -0.359 18.641 19.000 0.000 0.000 0.800 278 A HN 0.717 nan 8.150 nan 0.000 0.453 279 D N -2.601 117.799 120.400 -0.001 0.000 2.325 279 D HA 0.318 4.959 4.640 0.001 0.000 0.225 279 D C 1.139 177.437 176.300 -0.002 0.000 1.096 279 D CA 0.769 54.767 54.000 -0.002 0.000 0.844 279 D CB -0.450 40.349 40.800 -0.003 0.000 0.925 279 D HN 0.647 nan 8.370 nan 0.000 0.513 280 G N 0.168 108.968 108.800 -0.001 0.000 2.241 280 G HA2 -0.309 3.652 3.960 0.001 0.000 0.244 280 G HA3 -0.309 3.652 3.960 0.001 0.000 0.244 280 G C 0.557 175.457 174.900 0.000 0.000 0.998 280 G CA 0.442 45.542 45.100 -0.001 0.000 0.621 280 G HN 0.819 nan 8.290 nan 0.000 0.519 281 S N 0.016 115.715 115.700 -0.001 0.000 2.655 281 S HA 0.742 5.212 4.470 0.001 0.000 0.265 281 S C 0.225 174.825 174.600 0.001 0.000 1.240 281 S CA 0.756 58.955 58.200 -0.001 0.000 0.986 281 S CB 1.703 64.900 63.200 -0.004 0.000 0.985 281 S HN 1.649 nan 8.310 nan 0.000 0.562 282 T N -1.953 112.601 114.554 -0.001 0.000 2.887 282 T HA 0.673 5.024 4.350 0.001 0.000 0.288 282 T C -0.800 173.893 174.700 -0.011 0.000 1.021 282 T CA -0.807 61.294 62.100 0.001 0.000 1.000 282 T CB 1.178 70.050 68.868 0.006 0.000 1.034 282 T HN 0.557 nan 8.240 nan 0.000 0.467 283 V N 2.336 122.239 119.914 -0.018 0.000 2.417 283 V HA 0.361 4.481 4.120 0.001 0.000 0.291 283 V C -0.093 175.957 176.094 -0.074 0.000 1.024 283 V CA -0.833 61.444 62.300 -0.040 0.000 0.861 283 V CB 1.605 33.405 31.823 -0.038 0.000 0.985 283 V HN 1.014 nan 8.190 nan 0.000 0.436 284 D N 4.760 125.109 120.400 -0.084 0.000 2.371 284 D HA 0.188 4.829 4.640 0.001 0.000 0.256 284 D C -0.350 175.833 176.300 -0.194 0.000 1.193 284 D CA 0.100 54.025 54.000 -0.124 0.000 0.881 284 D CB 0.673 41.421 40.800 -0.087 0.000 1.143 284 D HN 0.440 nan 8.370 nan 0.000 0.473 285 K N 4.812 124.997 120.400 -0.358 0.000 2.358 285 K HA 0.388 4.709 4.320 0.001 0.000 0.260 285 K C -2.483 173.836 176.600 -0.468 0.000 0.956 285 K CA -1.786 54.225 56.287 -0.461 0.000 0.834 285 K CB 2.235 34.321 32.500 -0.690 0.000 1.102 285 K HN 0.184 nan 8.250 nan 0.000 0.431 286 P HA 0.074 nan 4.420 nan 0.000 0.271 286 P C -1.235 176.003 177.300 -0.102 0.000 1.216 286 P CA -0.443 62.569 63.100 -0.147 0.000 0.776 286 P CB 0.506 32.151 31.700 -0.093 0.000 0.881 287 L N 2.160 123.365 121.223 -0.029 0.000 2.491 287 L HA 0.362 4.703 4.340 0.001 0.000 0.267 287 L C -0.546 176.325 176.870 0.002 0.000 0.971 287 L CA -0.511 54.357 54.840 0.046 0.000 0.857 287 L CB 1.486 43.662 42.059 0.194 0.000 1.226 287 L HN 0.239 nan 8.230 nan 0.000 0.408 288 E N 5.051 125.233 120.200 -0.029 0.000 2.229 288 E HA 0.420 4.771 4.350 0.001 0.000 0.283 288 E C -1.040 175.501 176.600 -0.098 0.000 1.030 288 E CA -0.415 55.950 56.400 -0.059 0.000 0.836 288 E CB 0.886 30.543 29.700 -0.071 0.000 1.068 288 E HN 0.679 nan 8.360 nan 0.000 0.401 289 I N 5.698 126.209 120.570 -0.099 0.000 2.328 289 I HA 0.316 4.487 4.170 0.001 0.000 0.287 289 I C 0.113 176.138 176.117 -0.153 0.000 1.012 289 I CA -0.517 60.697 61.300 -0.143 0.000 1.195 289 I CB 1.015 38.955 38.000 -0.101 0.000 1.350 289 I HN 0.387 nan 8.210 nan 0.000 0.464 290 R N 4.166 124.526 120.500 -0.234 0.000 2.604 290 R HA 0.726 5.067 4.340 0.001 0.000 0.287 290 R C -0.796 175.386 176.300 -0.195 0.000 0.970 290 R CA -0.642 55.315 56.100 -0.239 0.000 0.946 290 R CB 2.194 32.215 30.300 -0.465 0.000 1.127 290 R HN 0.483 nan 8.270 nan 0.000 0.473 291 S N 0.401 116.080 115.700 -0.035 0.000 2.540 291 S HA 0.377 4.848 4.470 0.001 0.000 0.275 291 S C -0.660 174.044 174.600 0.172 0.000 1.123 291 S CA -0.867 57.344 58.200 0.018 0.000 0.907 291 S CB 2.019 65.213 63.200 -0.011 0.000 1.081 291 S HN 0.712 nan 8.310 nan 0.000 0.476 292 S N 0.411 116.146 115.700 0.058 0.000 2.768 292 S HA 0.545 5.016 4.470 0.001 0.000 0.300 292 S C 1.092 175.593 174.600 -0.165 0.000 1.122 292 S CA -0.548 57.578 58.200 -0.124 0.000 0.995 292 S CB 0.813 63.678 63.200 -0.558 0.000 1.195 292 S HN 0.529 nan 8.310 nan 0.000 0.547 293 V N 1.229 120.953 119.914 -0.316 0.000 2.568 293 V HA -0.179 3.942 4.120 0.001 0.000 0.253 293 V C 2.212 178.033 176.094 -0.455 0.000 1.072 293 V CA 1.942 63.995 62.300 -0.412 0.000 1.084 293 V CB -1.364 30.087 31.823 -0.621 0.000 0.676 293 V HN 0.874 nan 8.190 nan 0.000 0.469 294 H N 0.299 119.145 119.070 -0.374 0.000 2.326 294 H HA 0.298 4.855 4.556 0.001 0.000 0.301 294 H C 1.151 176.346 175.328 -0.221 0.000 1.081 294 H CA 1.174 56.980 56.048 -0.404 0.000 1.334 294 H CB 0.001 29.439 29.762 -0.541 0.000 1.385 294 H HN 0.595 nan 8.280 nan 0.000 0.504 295 G N -0.225 108.572 108.800 -0.005 0.000 2.345 295 G HA2 0.092 4.053 3.960 0.001 0.000 0.285 295 G HA3 0.092 4.053 3.960 0.001 0.000 0.285 295 G C -2.990 171.921 174.900 0.018 0.000 1.297 295 G CA -1.120 43.988 45.100 0.012 0.000 0.875 295 G HN -0.111 nan 8.290 nan 0.000 0.506 296 P HA 0.367 nan 4.420 nan 0.000 0.265 296 P C -0.233 177.014 177.300 -0.088 0.000 1.187 296 P CA -0.122 62.936 63.100 -0.069 0.000 0.766 296 P CB 0.981 32.662 31.700 -0.033 0.000 0.820 297 V N 4.267 124.006 119.914 -0.291 0.000 2.483 297 V HA 0.474 4.595 4.120 0.001 0.000 0.295 297 V C -0.165 175.651 176.094 -0.464 0.000 1.035 297 V CA -0.170 61.988 62.300 -0.236 0.000 0.896 297 V CB 0.663 32.331 31.823 -0.259 0.000 0.986 297 V HN 0.360 nan 8.190 nan 0.000 0.447 298 F N 1.552 121.462 119.950 -0.066 0.000 2.577 298 F HA 0.568 5.096 4.527 0.001 0.000 0.318 298 F C 0.157 175.927 175.800 -0.050 0.000 1.065 298 F CA -0.788 57.178 58.000 -0.056 0.000 0.929 298 F CB 1.904 40.882 39.000 -0.036 0.000 1.237 298 F HN 0.445 nan 8.300 nan 0.000 0.468 299 E N 2.507 122.788 120.200 0.136 0.000 2.165 299 E HA 0.393 4.744 4.350 0.001 0.000 0.266 299 E C -0.664 175.980 176.600 0.073 0.000 0.889 299 E CA -0.677 55.765 56.400 0.069 0.000 0.756 299 E CB 1.021 30.734 29.700 0.020 0.000 1.131 299 E HN 0.578 nan 8.360 nan 0.000 0.411 300 R N 1.941 122.473 120.500 0.053 0.000 2.726 300 R HA 0.234 4.575 4.340 0.001 0.000 0.272 300 R C 1.122 177.436 176.300 0.023 0.000 1.097 300 R CA 0.413 56.532 56.100 0.031 0.000 1.198 300 R CB 0.547 30.856 30.300 0.015 0.000 1.114 300 R HN 0.679 nan 8.270 nan 0.000 0.550 301 A N 1.480 124.308 122.820 0.014 0.000 1.978 301 A HA -0.216 4.105 4.320 0.001 0.000 0.220 301 A C 1.355 178.945 177.584 0.010 0.000 1.170 301 A CA 2.089 54.133 52.037 0.011 0.000 0.636 301 A CB -0.610 18.393 19.000 0.005 0.000 0.810 301 A HN 0.878 nan 8.150 nan 0.000 0.448 302 D N -2.423 117.981 120.400 0.008 0.000 2.363 302 D HA 0.276 4.917 4.640 0.001 0.000 0.226 302 D C 1.176 177.484 176.300 0.012 0.000 1.020 302 D CA 1.049 55.053 54.000 0.007 0.000 0.892 302 D CB -0.470 40.332 40.800 0.004 0.000 0.900 302 D HN 0.809 nan 8.370 nan 0.000 0.531 303 G N -0.970 107.840 108.800 0.016 0.000 2.176 303 G HA2 -0.248 3.713 3.960 0.001 0.000 0.232 303 G HA3 -0.248 3.713 3.960 0.001 0.000 0.232 303 G C 0.323 175.239 174.900 0.027 0.000 0.986 303 G CA 0.149 45.261 45.100 0.021 0.000 0.643 303 G HN 0.430 nan 8.290 nan 0.000 0.522 304 T N 1.630 116.199 114.554 0.024 0.000 2.834 304 T HA 0.554 4.905 4.350 0.001 0.000 0.298 304 T C 0.632 175.355 174.700 0.039 0.000 0.966 304 T CA 0.677 62.794 62.100 0.028 0.000 1.141 304 T CB 1.548 70.426 68.868 0.016 0.000 0.905 304 T HN 1.326 nan 8.240 nan 0.000 0.535 305 A N 3.968 126.817 122.820 0.049 0.000 2.269 305 A HA 0.590 4.911 4.320 0.001 0.000 0.302 305 A C -0.162 177.457 177.584 0.058 0.000 1.266 305 A CA -0.557 51.513 52.037 0.056 0.000 0.894 305 A CB 0.206 19.254 19.000 0.080 0.000 1.147 305 A HN 0.688 nan 8.150 nan 0.000 0.537 306 V N 2.042 122.002 119.914 0.076 0.000 2.540 306 V HA 0.693 4.814 4.120 0.001 0.000 0.302 306 V C 0.392 176.564 176.094 0.130 0.000 1.035 306 V CA -0.396 61.954 62.300 0.084 0.000 0.873 306 V CB 1.649 33.516 31.823 0.073 0.000 0.992 306 V HN 1.102 nan 8.190 nan 0.000 0.428 307 A N 3.972 126.849 122.820 0.095 0.000 2.288 307 A HA 0.762 5.083 4.320 0.001 0.000 0.320 307 A C -0.677 177.034 177.584 0.212 0.000 1.217 307 A CA -0.550 51.556 52.037 0.115 0.000 0.840 307 A CB 1.507 20.494 19.000 -0.023 0.000 1.179 307 A HN 0.848 nan 8.150 nan 0.000 0.504 308 V N 3.963 124.026 119.914 0.248 0.000 2.370 308 V HA 0.551 4.672 4.120 0.001 0.000 0.279 308 V C 0.149 176.383 176.094 0.233 0.000 1.029 308 V CA -0.635 61.806 62.300 0.234 0.000 0.870 308 V CB 1.150 33.083 31.823 0.182 0.000 0.984 308 V HN 0.889 nan 8.190 nan 0.000 0.451 309 R N 5.489 126.164 120.500 0.291 0.000 2.275 309 R HA 0.613 4.954 4.340 0.001 0.000 0.326 309 R C -1.579 174.920 176.300 0.331 0.000 0.973 309 R CA -0.461 55.779 56.100 0.234 0.000 0.854 309 R CB 1.545 31.957 30.300 0.187 0.000 1.156 309 R HN 0.605 nan 8.270 nan 0.000 0.487 310 V N 4.044 124.107 119.914 0.248 0.000 2.407 310 V HA 0.481 4.602 4.120 0.001 0.000 0.278 310 V C 0.515 176.804 176.094 0.325 0.000 1.037 310 V CA -0.703 61.753 62.300 0.261 0.000 0.900 310 V CB 1.302 33.213 31.823 0.147 0.000 0.983 310 V HN 0.909 nan 8.190 nan 0.000 0.459 311 A N 3.441 126.483 122.820 0.370 0.000 2.304 311 A HA 0.672 4.993 4.320 0.001 0.000 0.271 311 A C 1.333 179.005 177.584 0.147 0.000 1.091 311 A CA 0.291 52.522 52.037 0.322 0.000 0.812 311 A CB 0.269 19.336 19.000 0.111 0.000 1.056 311 A HN 2.147 nan 8.150 nan 0.000 0.489 312 G N -0.324 108.550 108.800 0.122 0.000 2.153 312 G HA2 -0.216 3.745 3.960 0.001 0.000 0.252 312 G HA3 -0.216 3.745 3.960 0.001 0.000 0.252 312 G C 0.534 175.471 174.900 0.062 0.000 0.994 312 G CA 0.514 45.654 45.100 0.068 0.000 0.698 312 G HN 0.770 nan 8.290 nan 0.000 0.521 313 L N 0.559 121.827 121.223 0.075 0.000 2.465 313 L HA 0.093 4.434 4.340 0.001 0.000 0.224 313 L C 1.892 178.787 176.870 0.042 0.000 1.145 313 L CA 1.339 56.213 54.840 0.056 0.000 0.834 313 L CB -0.124 41.970 42.059 0.059 0.000 0.944 313 L HN 0.485 nan 8.230 nan 0.000 0.451 314 D N -0.820 119.606 120.400 0.043 0.000 2.463 314 D HA -0.010 4.631 4.640 0.001 0.000 0.224 314 D C 0.365 176.680 176.300 0.027 0.000 1.174 314 D CA -0.222 53.797 54.000 0.032 0.000 0.829 314 D CB 0.271 41.091 40.800 0.032 0.000 0.993 314 D HN 0.045 nan 8.370 nan 0.000 0.497 315 R N 1.879 122.396 120.500 0.027 0.000 2.505 315 R HA 0.258 4.599 4.340 0.001 0.000 0.284 315 R C -1.779 174.535 176.300 0.024 0.000 1.324 315 R CA -1.362 54.751 56.100 0.021 0.000 1.432 315 R CB 0.794 31.105 30.300 0.019 0.000 1.107 315 R HN 0.126 nan 8.270 nan 0.000 0.587 316 P HA -0.006 nan 4.420 nan 0.000 0.237 316 P C 0.603 177.919 177.300 0.027 0.000 1.178 316 P CA 0.383 63.497 63.100 0.023 0.000 0.766 316 P CB 0.614 32.324 31.700 0.018 0.000 0.876 320 E N 1.135 121.403 120.200 0.112 0.000 2.150 320 E HA -0.262 4.089 4.350 0.001 0.000 0.193 320 E C 1.851 178.546 176.600 0.158 0.000 0.985 320 E CA 1.759 58.242 56.400 0.138 0.000 0.814 320 E CB 0.229 29.979 29.700 0.084 0.000 0.752 320 E HN 0.432 nan 8.360 nan 0.000 0.466 321 Q N -0.639 119.217 119.800 0.093 0.000 2.079 321 Q HA -0.211 4.130 4.340 0.001 0.000 0.200 321 Q C 1.719 177.723 176.000 0.007 0.000 0.974 321 Q CA 1.497 57.302 55.803 0.003 0.000 0.840 321 Q CB -0.190 28.502 28.738 -0.077 0.000 0.898 321 Q HN 0.449 nan 8.270 nan 0.000 0.430 322 Y N -0.565 119.765 120.300 0.050 0.000 2.181 322 Y HA -0.266 4.285 4.550 0.001 0.000 0.288 322 Y C 2.027 177.976 175.900 0.082 0.000 1.146 322 Y CA 1.537 59.670 58.100 0.056 0.000 1.164 322 Y CB -0.186 38.310 38.460 0.061 0.000 0.982 322 Y HN 0.273 nan 8.280 nan 0.000 0.515 323 F N 0.951 120.970 119.950 0.116 0.000 2.134 323 F HA -0.162 4.366 4.527 0.001 0.000 0.299 323 F C 1.239 177.022 175.800 -0.028 0.000 1.097 323 F CA 1.096 59.095 58.000 -0.003 0.000 1.264 323 F CB -0.561 38.403 39.000 -0.059 0.000 1.001 323 F HN -0.075 nan 8.300 nan 0.000 0.479 327 T N -0.094 114.334 114.554 -0.210 0.000 3.092 327 T HA 0.668 5.019 4.350 0.001 0.000 0.258 327 T C 0.879 175.510 174.700 -0.114 0.000 1.031 327 T CA 0.423 62.364 62.100 -0.265 0.000 0.925 327 T CB 0.099 68.597 68.868 -0.616 0.000 1.036 327 T HN 0.492 nan 8.240 nan 0.000 0.544 328 A N 1.282 124.105 122.820 0.005 0.000 2.540 328 A HA 0.262 4.583 4.320 0.001 0.000 0.239 328 A C 0.748 178.389 177.584 0.095 0.000 1.061 328 A CA 0.018 52.127 52.037 0.119 0.000 0.758 328 A CB -0.081 19.045 19.000 0.211 0.000 0.991 328 A HN 0.598 nan 8.150 nan 0.000 0.502 329 H N 0.547 119.657 119.070 0.066 0.000 2.548 329 H HA 0.219 4.776 4.556 0.001 0.000 0.265 329 H C 0.684 176.068 175.328 0.092 0.000 0.969 329 H CA 1.121 57.213 56.048 0.073 0.000 1.155 329 H CB 0.226 30.021 29.762 0.056 0.000 1.394 329 H HN 0.770 nan 8.280 nan 0.000 0.570 330 S N -2.108 113.721 115.700 0.216 0.000 2.588 330 S HA 0.087 4.558 4.470 0.001 0.000 0.269 330 S C 0.318 175.056 174.600 0.230 0.000 1.157 330 S CA -0.914 57.408 58.200 0.203 0.000 0.824 330 S CB 0.385 63.679 63.200 0.157 0.000 1.126 330 S HN 0.001 nan 8.310 nan 0.000 0.464 331 F N 1.780 121.778 119.950 0.081 0.000 2.171 331 F HA -0.030 4.498 4.527 0.001 0.000 0.300 331 F C 1.735 177.539 175.800 0.007 0.000 1.090 331 F CA 2.082 60.058 58.000 -0.041 0.000 1.293 331 F CB -0.495 38.449 39.000 -0.092 0.000 1.013 331 F HN 0.713 nan 8.300 nan 0.000 0.486 332 D N 0.392 120.772 120.400 -0.033 0.000 2.104 332 D HA -0.201 4.440 4.640 0.001 0.000 0.194 332 D C 1.873 178.085 176.300 -0.147 0.000 0.994 332 D CA 1.733 55.653 54.000 -0.133 0.000 0.830 332 D CB -0.488 40.305 40.800 -0.012 0.000 0.959 332 D HN 0.365 nan 8.370 nan 0.000 0.452 333 D N -0.296 120.078 120.400 -0.042 0.000 2.144 333 D HA -0.163 4.478 4.640 0.001 0.000 0.199 333 D C 1.985 178.245 176.300 -0.067 0.000 0.984 333 D CA 0.551 54.533 54.000 -0.029 0.000 0.834 333 D CB -0.396 40.434 40.800 0.049 0.000 0.955 333 D HN 0.307 nan 8.370 nan 0.000 0.465 334 Y N 2.091 122.269 120.300 -0.202 0.000 2.097 334 Y HA -0.193 4.358 4.550 0.002 0.000 0.282 334 Y C 2.139 177.820 175.900 -0.366 0.000 1.152 334 Y CA 1.728 59.678 58.100 -0.252 0.000 1.136 334 Y CB -0.149 38.131 38.460 -0.300 0.000 0.975 334 Y HN -0.072 nan 8.280 nan 0.000 0.498 335 E N -0.057 119.793 120.200 -0.583 0.000 2.110 335 E HA -0.202 4.149 4.350 0.001 0.000 0.193 335 E C 2.348 178.708 176.600 -0.400 0.000 0.988 335 E CA 0.842 56.876 56.400 -0.611 0.000 0.804 335 E CB -0.312 29.003 29.700 -0.641 0.000 0.745 335 E HN 0.606 nan 8.360 nan 0.000 0.458 336 A N 1.855 124.500 122.820 -0.292 0.000 1.902 336 A HA -0.023 4.298 4.320 0.001 0.000 0.217 336 A C 1.627 179.092 177.584 -0.199 0.000 1.181 336 A CA 1.210 53.130 52.037 -0.195 0.000 0.623 336 A CB -0.511 18.410 19.000 -0.132 0.000 0.818 336 A HN 0.278 nan 8.150 nan 0.000 0.443 343 V N 5.494 125.383 119.914 -0.042 0.000 2.334 343 V HA 0.177 4.298 4.120 0.001 0.000 0.267 343 V C -1.266 174.818 176.094 -0.017 0.000 1.040 343 V CA -0.889 61.414 62.300 0.005 0.000 0.866 343 V CB 1.344 33.119 31.823 -0.081 0.000 1.019 343 V HN 0.030 nan 8.190 nan 0.000 0.468 344 P HA -0.021 nan 4.420 nan 0.000 0.230 344 P C 0.561 177.761 177.300 -0.167 0.000 1.158 344 P CA 1.005 64.062 63.100 -0.072 0.000 0.769 344 P CB 0.719 32.389 31.700 -0.049 0.000 0.807 345 T N -2.290 112.127 114.554 -0.228 0.000 2.653 345 T HA 0.535 4.886 4.350 0.001 0.000 0.306 345 T C -1.778 172.725 174.700 -0.327 0.000 1.426 345 T CA -0.464 61.378 62.100 -0.430 0.000 1.008 345 T CB 0.114 68.571 68.868 -0.685 0.000 1.692 345 T HN -0.074 nan 8.240 nan 0.000 0.483 346 F N 0.001 119.854 119.950 -0.162 0.000 2.183 346 F HA -0.076 4.452 4.527 0.002 0.000 0.319 346 F C 0.028 175.696 175.800 -0.220 0.000 1.295 346 F CA -0.807 57.115 58.000 -0.129 0.000 0.914 346 F CB -0.275 38.715 39.000 -0.016 0.000 4.132 346 F HN 0.526 nan 8.300 nan 0.000 0.141 347 N N 2.718 121.471 118.700 0.088 0.000 2.479 347 N HA 0.709 5.449 4.740 0.001 0.000 0.285 347 N C -0.741 174.804 175.510 0.058 0.000 1.075 347 N CA -0.282 52.772 53.050 0.007 0.000 0.967 347 N CB 1.469 40.086 38.487 0.216 0.000 1.137 347 N HN 0.443 nan 8.380 nan 0.000 0.472 348 I N 1.606 122.160 120.570 -0.026 0.000 2.466 348 I HA 0.317 4.488 4.170 0.001 0.000 0.289 348 I C -0.411 175.786 176.117 0.132 0.000 1.026 348 I CA -0.924 60.413 61.300 0.061 0.000 1.078 348 I CB 2.071 40.105 38.000 0.058 0.000 1.249 348 I HN -0.049 nan 8.210 nan 0.000 0.429 349 V N 6.358 126.403 119.914 0.218 0.000 2.513 349 V HA 0.431 4.552 4.120 0.001 0.000 0.299 349 V C -1.056 175.211 176.094 0.289 0.000 1.035 349 V CA -0.679 61.796 62.300 0.292 0.000 0.889 349 V CB 1.983 34.000 31.823 0.324 0.000 0.988 349 V HN 0.602 nan 8.190 nan 0.000 0.440 350 Y N 3.230 123.591 120.300 0.101 0.000 2.545 350 Y HA 0.844 5.395 4.550 0.002 0.000 0.348 350 Y C -0.373 175.474 175.900 -0.090 0.000 1.002 350 Y CA -0.517 57.553 58.100 -0.050 0.000 1.039 350 Y CB 2.031 40.352 38.460 -0.231 0.000 1.271 350 Y HN 0.797 nan 8.280 nan 0.000 0.467 351 A N 3.795 126.166 122.820 -0.749 0.000 2.589 351 A HA 0.628 4.949 4.320 0.001 0.000 0.296 351 A C -2.075 174.705 177.584 -1.341 0.000 1.062 351 A CA -0.428 51.197 52.037 -0.687 0.000 0.686 351 A CB 1.491 20.328 19.000 -0.271 0.000 1.282 351 A HN 0.825 nan 8.150 nan 0.000 0.404 352 D N -0.669 119.126 120.400 -1.008 0.000 2.579 352 D HA 0.379 5.020 4.640 0.001 0.000 0.257 352 D C 0.748 176.683 176.300 -0.608 0.000 1.176 352 D CA -0.555 52.842 54.000 -1.005 0.000 0.914 352 D CB 0.697 41.200 40.800 -0.495 0.000 1.431 352 D HN 0.522 nan 8.370 nan 0.000 0.454 353 R N -0.316 119.970 120.500 -0.358 0.000 2.237 353 R HA -0.030 4.310 4.340 0.001 0.000 0.219 353 R C 0.258 176.530 176.300 -0.046 0.000 1.080 353 R CA 1.036 57.102 56.100 -0.057 0.000 0.995 353 R CB -0.371 29.965 30.300 0.060 0.000 0.875 353 R HN 0.314 nan 8.270 nan 0.000 0.462 354 E N 0.384 120.542 120.200 -0.070 0.000 2.482 354 E HA 0.081 4.432 4.350 0.001 0.000 0.196 354 E C 0.997 177.570 176.600 -0.046 0.000 1.047 354 E CA 0.950 57.333 56.400 -0.029 0.000 0.869 354 E CB 0.423 30.125 29.700 0.003 0.000 0.836 354 E HN 0.650 nan 8.360 nan 0.000 0.520 355 G N -0.056 108.694 108.800 -0.083 0.000 2.159 355 G HA2 -0.238 3.723 3.960 0.001 0.000 0.227 355 G HA3 -0.238 3.723 3.960 0.001 0.000 0.227 355 G C 0.398 175.238 174.900 -0.100 0.000 0.986 355 G CA 0.216 45.269 45.100 -0.079 0.000 0.651 355 G HN 0.246 nan 8.290 nan 0.000 0.523 356 T N 1.409 115.888 114.554 -0.125 0.000 2.882 356 T HA 0.645 4.995 4.350 0.001 0.000 0.287 356 T C 0.534 175.151 174.700 -0.139 0.000 0.992 356 T CA 0.362 62.355 62.100 -0.179 0.000 1.076 356 T CB 1.291 69.973 68.868 -0.310 0.000 0.961 356 T HN 0.942 nan 8.240 nan 0.000 0.490 357 I N 0.844 121.333 120.570 -0.135 0.000 2.689 357 I HA 0.849 5.020 4.170 0.001 0.000 0.299 357 I C -0.812 175.294 176.117 -0.019 0.000 1.059 357 I CA -1.060 60.232 61.300 -0.013 0.000 1.055 357 I CB 2.492 40.504 38.000 0.021 0.000 1.243 357 I HN 0.538 nan 8.210 nan 0.000 0.425 358 N N 2.618 121.402 118.700 0.141 0.000 2.405 358 N HA 0.481 5.221 4.740 0.001 0.000 0.274 358 N C -2.140 173.554 175.510 0.308 0.000 1.170 358 N CA -0.556 52.606 53.050 0.187 0.000 0.848 358 N CB 2.123 40.739 38.487 0.215 0.000 1.629 358 N HN 0.741 nan 8.380 nan 0.000 0.481 359 Y N 1.597 122.013 120.300 0.195 0.000 2.376 359 Y HA 0.711 5.262 4.550 0.001 0.000 0.340 359 Y C -1.514 174.514 175.900 0.213 0.000 0.965 359 Y CA -0.433 57.790 58.100 0.205 0.000 1.078 359 Y CB 1.729 40.297 38.460 0.179 0.000 1.193 359 Y HN 0.473 nan 8.280 nan 0.000 0.452 360 S N 6.785 122.085 115.700 -0.666 0.000 2.594 360 S HA 0.317 4.788 4.470 0.001 0.000 0.296 360 S C -1.475 172.739 174.600 -0.644 0.000 1.124 360 S CA -0.596 57.303 58.200 -0.502 0.000 1.011 360 S CB 0.702 63.805 63.200 -0.161 0.000 1.016 360 S HN 0.630 nan 8.310 nan 0.000 0.485 361 F N 5.260 124.871 119.950 -0.565 0.000 2.515 361 F HA 0.285 4.813 4.527 0.001 0.000 0.353 361 F C 0.560 176.242 175.800 -0.198 0.000 1.213 361 F CA -0.394 57.421 58.000 -0.308 0.000 1.194 361 F CB -0.176 38.715 39.000 -0.183 0.000 1.488 361 F HN 0.543 nan 8.300 nan 0.000 0.619 362 N N 3.295 121.787 118.700 -0.347 0.000 2.493 362 N HA 0.665 5.406 4.740 0.001 0.000 0.275 362 N C -0.182 175.148 175.510 -0.301 0.000 1.186 362 N CA 0.573 53.473 53.050 -0.249 0.000 0.978 362 N CB 1.547 39.930 38.487 -0.174 0.000 1.184 362 N HN 0.777 nan 8.380 nan 0.000 0.487 363 G N -0.064 108.627 108.800 -0.182 0.000 2.353 363 G HA2 0.043 4.004 3.960 0.001 0.000 0.308 363 G HA3 0.043 4.004 3.960 0.001 0.000 0.308 363 G C -1.745 173.101 174.900 -0.090 0.000 1.418 363 G CA -0.758 44.243 45.100 -0.165 0.000 0.966 363 G HN 0.404 nan 8.290 nan 0.000 0.638 364 V N 1.121 120.986 119.914 -0.081 0.000 2.320 364 V HA 0.640 4.761 4.120 0.001 0.000 0.265 364 V C 0.787 176.836 176.094 -0.075 0.000 1.048 364 V CA 0.220 62.489 62.300 -0.052 0.000 0.865 364 V CB 0.659 32.458 31.823 -0.040 0.000 1.043 364 V HN 1.590 nan 8.190 nan 0.000 0.474 365 A N 7.863 130.666 122.820 -0.029 0.000 2.288 365 A HA 0.838 5.159 4.320 0.001 0.000 0.320 365 A C -2.720 174.787 177.584 -0.129 0.000 1.217 365 A CA -1.905 50.107 52.037 -0.043 0.000 0.840 365 A CB 0.981 20.059 19.000 0.129 0.000 1.179 365 A HN 0.588 nan 8.150 nan 0.000 0.504 366 P HA 0.085 nan 4.420 nan 0.000 0.268 366 P C -0.542 176.413 177.300 -0.574 0.000 1.205 366 P CA 0.156 62.769 63.100 -0.812 0.000 0.771 366 P CB 0.478 30.987 31.700 -1.984 0.000 0.858 367 K N 4.098 124.234 120.400 -0.440 0.000 2.312 367 K HA 0.289 4.610 4.320 0.001 0.000 0.287 367 K C 0.180 176.614 176.600 -0.275 0.000 1.062 367 K CA -0.023 56.037 56.287 -0.378 0.000 0.934 367 K CB 0.645 32.933 32.500 -0.353 0.000 1.027 367 K HN 0.380 nan 8.250 nan 0.000 0.478 368 R N 0.956 121.287 120.500 -0.281 0.000 2.686 368 R HA 0.301 4.642 4.340 0.001 0.000 0.286 368 R C 0.131 176.531 176.300 0.167 0.000 0.969 368 R CA -0.405 55.549 56.100 -0.244 0.000 0.898 368 R CB 1.705 31.437 30.300 -0.946 0.000 1.183 368 R HN 0.681 nan 8.270 nan 0.000 0.456 369 A N 1.885 124.840 122.820 0.225 0.000 2.178 369 A HA 0.039 4.360 4.320 0.001 0.000 0.211 369 A C 0.188 177.936 177.584 0.274 0.000 1.157 369 A CA 0.742 52.920 52.037 0.234 0.000 0.780 369 A CB -0.150 18.948 19.000 0.163 0.000 0.828 369 A HN 0.781 nan 8.150 nan 0.000 0.476 370 E N -3.126 117.305 120.200 0.385 0.000 2.447 370 E HA 0.505 4.856 4.350 0.001 0.000 0.279 370 E C -0.149 176.774 176.600 0.538 0.000 1.053 370 E CA -0.824 55.782 56.400 0.344 0.000 0.840 370 E CB 0.612 30.424 29.700 0.186 0.000 1.409 370 E HN 1.292 nan 8.360 nan 0.000 0.461 371 G N 1.620 110.586 108.800 0.277 0.000 2.862 371 G HA2 -0.012 3.948 3.960 0.001 0.000 0.686 371 G HA3 -0.012 3.948 3.960 0.001 0.000 0.686 371 G C -0.745 174.509 174.900 0.590 0.000 1.134 371 G CA -0.130 45.110 45.100 0.233 0.000 0.791 371 G HN 0.937 nan 8.290 nan 0.000 0.592 372 D N 0.944 121.598 120.400 0.423 0.000 2.451 372 D HA 0.491 5.132 4.640 0.001 0.000 0.259 372 D C 1.877 178.511 176.300 0.556 0.000 1.201 372 D CA -0.480 53.782 54.000 0.437 0.000 1.028 372 D CB 0.681 41.639 40.800 0.263 0.000 1.095 372 D HN 0.586 nan 8.370 nan 0.000 0.539 373 I N -0.232 120.604 120.570 0.445 0.000 2.208 373 I HA -0.306 3.865 4.170 0.001 0.000 0.245 373 I C 2.076 178.381 176.117 0.313 0.000 1.097 373 I CA 1.806 63.349 61.300 0.406 0.000 1.363 373 I CB -0.261 37.917 38.000 0.298 0.000 1.051 373 I HN 0.535 nan 8.210 nan 0.000 0.413 374 A N 0.536 123.502 122.820 0.244 0.000 1.908 374 A HA -0.310 4.011 4.320 0.001 0.000 0.218 374 A C 2.196 179.855 177.584 0.125 0.000 1.181 374 A CA 1.994 54.128 52.037 0.161 0.000 0.627 374 A CB -1.233 17.852 19.000 0.141 0.000 0.818 374 A HN 0.622 nan 8.150 nan 0.000 0.445 375 F N -0.915 119.045 119.950 0.016 0.000 2.102 375 F HA -0.167 4.361 4.527 0.001 0.000 0.298 375 F C 1.843 177.483 175.800 -0.266 0.000 1.105 375 F CA 1.674 59.575 58.000 -0.164 0.000 1.239 375 F CB -0.500 38.349 39.000 -0.252 0.000 0.991 375 F HN 0.370 nan 8.300 nan 0.000 0.474 376 W N 0.651 121.936 121.300 -0.025 0.000 2.699 376 W HA 0.005 4.666 4.660 0.002 0.000 0.249 376 W C 2.162 178.576 176.519 -0.175 0.000 1.280 376 W CA 0.628 57.876 57.345 -0.162 0.000 1.345 376 W CB -0.415 29.046 29.460 0.003 0.000 1.128 376 W HN 0.113 nan 8.180 nan 0.000 0.642 377 Q N -0.452 119.371 119.800 0.039 0.000 2.424 377 Q HA 0.125 4.466 4.340 0.001 0.000 0.204 377 Q C 1.427 177.376 176.000 -0.086 0.000 0.933 377 Q CA 0.384 56.193 55.803 0.009 0.000 0.929 377 Q CB 0.156 28.924 28.738 0.050 0.000 1.037 377 Q HN 0.180 nan 8.270 nan 0.000 0.511 378 G N 0.392 109.074 108.800 -0.197 0.000 2.568 378 G HA2 0.191 4.152 3.960 0.001 0.000 0.293 378 G HA3 0.191 4.152 3.960 0.001 0.000 0.293 378 G C -0.691 174.019 174.900 -0.317 0.000 1.347 378 G CA -0.760 44.204 45.100 -0.226 0.000 1.039 378 G HN 0.118 nan 8.290 nan 0.000 0.523 379 N N -0.192 118.342 118.700 -0.276 0.000 2.400 379 N HA 0.254 4.995 4.740 0.001 0.000 0.267 379 N C -0.107 175.145 175.510 -0.430 0.000 1.208 379 N CA -0.428 52.455 53.050 -0.278 0.000 0.951 379 N CB 0.932 39.319 38.487 -0.166 0.000 1.227 379 N HN 0.093 nan 8.380 nan 0.000 0.488 380 V N 4.342 123.904 119.914 -0.586 0.000 2.686 380 V HA 0.151 4.272 4.120 0.001 0.000 0.295 380 V C -1.883 173.987 176.094 -0.373 0.000 1.055 380 V CA -1.640 60.197 62.300 -0.771 0.000 1.050 380 V CB 0.953 32.194 31.823 -0.970 0.000 0.984 380 V HN 0.527 nan 8.190 nan 0.000 0.482 381 P HA 0.079 nan 4.420 nan 0.000 0.262 381 P C 0.631 178.068 177.300 0.229 0.000 1.199 381 P CA 0.464 63.523 63.100 -0.069 0.000 0.763 381 P CB 0.408 32.048 31.700 -0.101 0.000 0.790 382 G N 2.441 111.363 108.800 0.204 0.000 3.609 382 G HA2 0.011 3.972 3.960 0.001 0.000 0.280 382 G HA3 0.011 3.972 3.960 0.001 0.000 0.280 382 G C 0.260 175.410 174.900 0.416 0.000 1.155 382 G CA -0.212 44.985 45.100 0.163 0.000 0.876 382 G HN 0.480 nan 8.290 nan 0.000 0.535 383 D N -1.016 119.609 120.400 0.374 0.000 2.440 383 D HA 0.169 4.810 4.640 0.001 0.000 0.216 383 D C 0.338 176.692 176.300 0.089 0.000 1.150 383 D CA -0.366 53.829 54.000 0.325 0.000 0.832 383 D CB 0.511 41.435 40.800 0.206 0.000 0.992 383 D HN 0.021 nan 8.370 nan 0.000 0.502 384 S N -0.542 115.211 115.700 0.088 0.000 2.546 384 S HA 0.350 4.821 4.470 0.001 0.000 0.272 384 S C 0.648 175.146 174.600 -0.170 0.000 1.140 384 S CA -0.153 57.922 58.200 -0.208 0.000 0.920 384 S CB 1.485 64.698 63.200 0.021 0.000 1.083 384 S HN 0.064 nan 8.310 nan 0.000 0.476 385 S N 3.769 119.220 115.700 -0.414 0.000 2.547 385 S HA -0.061 4.410 4.470 0.001 0.000 0.235 385 S C 1.697 176.306 174.600 0.014 0.000 0.980 385 S CA 0.578 58.751 58.200 -0.046 0.000 0.941 385 S CB -0.378 62.800 63.200 -0.037 0.000 0.763 385 S HN 0.763 nan 8.310 nan 0.000 0.532 386 R N 0.566 121.001 120.500 -0.108 0.000 2.127 386 R HA -0.111 4.230 4.340 0.001 0.000 0.238 386 R C 0.725 176.917 176.300 -0.180 0.000 1.134 386 R CA 1.495 57.449 56.100 -0.243 0.000 0.975 386 R CB -0.257 29.727 30.300 -0.527 0.000 0.865 386 R HN 0.635 nan 8.270 nan 0.000 0.447 387 Y N -0.436 120.081 120.300 0.363 0.000 2.524 387 Y HA 0.191 4.742 4.550 0.001 0.000 0.266 387 Y C -0.118 176.201 175.900 0.698 0.000 1.180 387 Y CA -0.727 57.746 58.100 0.623 0.000 1.244 387 Y CB 0.595 39.419 38.460 0.607 0.000 1.125 387 Y HN -0.018 nan 8.280 nan 0.000 0.524 388 L N 3.613 125.119 121.223 0.472 0.000 2.302 388 L HA 0.212 4.553 4.340 0.001 0.000 0.285 388 L C 0.133 177.093 176.870 0.150 0.000 1.090 388 L CA -1.067 53.897 54.840 0.206 0.000 0.866 388 L CB -0.351 41.746 42.059 0.063 0.000 1.244 388 L HN 0.171 nan 8.230 nan 0.000 0.435 389 W N 3.156 124.604 121.300 0.245 0.000 2.129 389 W HA 0.481 5.142 4.660 0.002 0.000 0.349 389 W C 0.145 176.697 176.519 0.055 0.000 1.279 389 W CA -0.107 57.288 57.345 0.084 0.000 1.306 389 W CB 0.000 29.430 29.460 -0.049 0.000 1.140 389 W HN 0.616 nan 8.180 nan 0.000 0.613 390 T N -3.377 111.384 114.554 0.345 0.000 3.092 390 T HA 0.185 4.536 4.350 0.001 0.000 0.273 390 T C -0.126 174.704 174.700 0.218 0.000 0.898 390 T CA -0.227 61.996 62.100 0.206 0.000 0.868 390 T CB 0.283 69.197 68.868 0.077 0.000 1.228 390 T HN 0.490 nan 8.240 nan 0.000 0.555 391 E N 1.874 122.189 120.200 0.190 0.000 2.281 391 E HA 0.619 4.970 4.350 0.001 0.000 0.262 391 E C -0.820 175.773 176.600 -0.011 0.000 0.933 391 E CA -1.009 55.434 56.400 0.070 0.000 0.809 391 E CB 2.096 31.799 29.700 0.006 0.000 1.242 391 E HN 0.405 nan 8.360 nan 0.000 0.418 392 T N -1.992 112.529 114.554 -0.056 0.000 2.907 392 T HA 0.319 4.670 4.350 0.001 0.000 0.292 392 T C -0.292 174.334 174.700 -0.123 0.000 1.043 392 T CA -0.938 61.094 62.100 -0.113 0.000 1.003 392 T CB 1.065 69.909 68.868 -0.040 0.000 1.084 392 T HN 0.323 nan 8.240 nan 0.000 0.483 393 H N 1.941 121.003 119.070 -0.014 0.000 2.732 393 H HA 0.310 4.867 4.556 0.001 0.000 0.351 393 H C -2.123 173.206 175.328 0.000 0.000 1.090 393 H CA -0.714 55.340 56.048 0.011 0.000 1.431 393 H CB 0.709 30.492 29.762 0.034 0.000 1.447 393 H HN 0.477 nan 8.280 nan 0.000 0.582 394 P HA -0.020 nan 4.420 nan 0.000 0.278 394 P C 1.030 178.363 177.300 0.054 0.000 1.258 394 P CA -0.683 62.453 63.100 0.061 0.000 0.811 394 P CB 0.965 32.693 31.700 0.046 0.000 1.063 395 L N 1.139 122.366 121.223 0.007 0.000 2.129 395 L HA -0.194 4.147 4.340 0.001 0.000 0.212 395 L C 1.186 178.060 176.870 0.007 0.000 1.087 395 L CA 2.062 56.894 54.840 -0.014 0.000 0.757 395 L CB -1.058 40.965 42.059 -0.060 0.000 0.896 395 L HN 0.255 nan 8.230 nan 0.000 0.434 396 D N -0.545 119.867 120.400 0.019 0.000 2.312 396 D HA -0.119 4.522 4.640 0.001 0.000 0.211 396 D C 1.262 177.592 176.300 0.049 0.000 0.964 396 D CA 0.896 54.915 54.000 0.032 0.000 0.877 396 D CB -0.064 40.752 40.800 0.028 0.000 0.924 396 D HN 0.448 nan 8.370 nan 0.000 0.515 397 D N -0.246 120.189 120.400 0.059 0.000 2.340 397 D HA 0.087 4.728 4.640 0.001 0.000 0.220 397 D C 0.555 176.865 176.300 0.016 0.000 1.039 397 D CA 0.127 54.157 54.000 0.049 0.000 0.866 397 D CB 0.509 41.365 40.800 0.093 0.000 0.913 397 D HN 0.211 nan 8.370 nan 0.000 0.523 398 L N 0.737 121.967 121.223 0.012 0.000 2.344 398 L HA 0.400 4.741 4.340 0.001 0.000 0.272 398 L C -2.238 174.569 176.870 -0.105 0.000 1.035 398 L CA -2.263 52.549 54.840 -0.046 0.000 0.807 398 L CB 1.149 43.229 42.059 0.036 0.000 1.237 398 L HN -0.385 nan 8.230 nan 0.000 0.442 399 P HA 0.129 nan 4.420 nan 0.000 0.262 399 P C -1.061 176.251 177.300 0.020 0.000 1.199 399 P CA 0.345 63.147 63.100 -0.497 0.000 0.763 399 P CB 0.375 31.598 31.700 -0.796 0.000 0.790 400 R N 1.777 122.394 120.500 0.196 0.000 2.707 400 R HA 0.720 5.060 4.340 0.001 0.000 0.272 400 R C -1.540 175.031 176.300 0.452 0.000 1.011 400 R CA -1.056 55.222 56.100 0.296 0.000 0.893 400 R CB 2.168 32.558 30.300 0.151 0.000 1.233 400 R HN 0.113 nan 8.270 nan 0.000 0.464 401 V N 1.030 121.196 119.914 0.420 0.000 2.733 401 V HA 0.470 4.591 4.120 0.001 0.000 0.306 401 V C -0.721 175.499 176.094 0.209 0.000 1.084 401 V CA -0.676 61.810 62.300 0.310 0.000 0.905 401 V CB 2.370 34.350 31.823 0.261 0.000 1.010 401 V HN 0.811 nan 8.190 nan 0.000 0.424 402 T N 3.741 118.372 114.554 0.128 0.000 2.881 402 T HA 0.412 4.763 4.350 0.001 0.000 0.290 402 T C -0.105 174.586 174.700 -0.015 0.000 1.000 402 T CA -0.580 61.542 62.100 0.038 0.000 0.978 402 T CB 1.009 69.906 68.868 0.048 0.000 0.997 402 T HN 0.729 nan 8.240 nan 0.000 0.443 403 N N 2.513 121.176 118.700 -0.062 0.000 2.678 403 N HA -0.112 4.629 4.740 0.001 0.000 0.268 403 N C -2.297 173.187 175.510 -0.044 0.000 1.010 403 N CA 0.340 53.353 53.050 -0.061 0.000 0.784 403 N CB -0.821 37.620 38.487 -0.075 0.000 0.905 403 N HN 0.500 nan 8.380 nan 0.000 0.552 404 P HA 0.198 nan 4.420 nan 0.000 0.274 404 P C -1.667 175.587 177.300 -0.076 0.000 1.246 404 P CA -1.100 61.953 63.100 -0.077 0.000 0.795 404 P CB 0.648 32.268 31.700 -0.134 0.000 1.006 405 P HA -0.107 nan 4.420 nan 0.000 0.218 405 P C 1.634 178.905 177.300 -0.048 0.000 1.148 405 P CA 1.764 64.826 63.100 -0.062 0.000 0.822 405 P CB -0.447 31.206 31.700 -0.077 0.000 0.784 406 G N -1.097 107.660 108.800 -0.070 0.000 2.509 406 G HA2 0.044 4.005 3.960 0.001 0.000 0.218 406 G HA3 0.044 4.005 3.960 0.001 0.000 0.218 406 G C 1.191 176.157 174.900 0.109 0.000 1.124 406 G CA 0.626 45.732 45.100 0.010 0.000 0.776 406 G HN 0.455 nan 8.290 nan 0.000 0.547 407 G N -1.249 107.566 108.800 0.025 0.000 2.147 407 G HA2 -0.056 3.905 3.960 0.001 0.000 0.244 407 G HA3 -0.056 3.905 3.960 0.001 0.000 0.244 407 G C 0.139 175.144 174.900 0.175 0.000 1.005 407 G CA 0.580 45.724 45.100 0.073 0.000 0.713 407 G HN 1.645 nan 8.290 nan 0.000 0.515 408 F N -2.286 117.659 119.950 -0.008 0.000 2.770 408 F HA 0.729 5.256 4.527 0.001 0.000 0.313 408 F C -0.758 175.074 175.800 0.053 0.000 1.154 408 F CA -1.101 56.903 58.000 0.006 0.000 0.923 408 F CB 1.007 39.980 39.000 -0.045 0.000 1.301 408 F HN 0.809 nan 8.300 nan 0.000 0.449 409 V N 0.600 120.601 119.914 0.144 0.000 3.007 409 V HA 0.964 5.085 4.120 0.001 0.000 0.311 409 V C -1.429 174.914 176.094 0.414 0.000 1.120 409 V CA -0.611 61.731 62.300 0.071 0.000 0.980 409 V CB 1.344 33.263 31.823 0.159 0.000 1.033 409 V HN 1.454 nan 8.190 nan 0.000 0.429 410 Q N 1.596 121.593 119.800 0.328 0.000 2.482 410 Q HA 0.662 5.003 4.340 0.001 0.000 0.286 410 Q C -1.559 174.585 176.000 0.240 0.000 1.007 410 Q CA -0.580 55.510 55.803 0.478 0.000 0.801 410 Q CB 1.966 31.123 28.738 0.699 0.000 1.455 410 Q HN 0.952 nan 8.270 nan 0.000 0.398 411 N N 0.320 119.187 118.700 0.278 0.000 2.554 411 N HA 0.283 5.024 4.740 0.001 0.000 0.271 411 N C -1.525 174.079 175.510 0.158 0.000 1.081 411 N CA -0.220 52.936 53.050 0.178 0.000 0.994 411 N CB 2.004 40.635 38.487 0.240 0.000 1.641 411 N HN 0.611 nan 8.380 nan 0.000 0.511 412 S N 2.546 118.319 115.700 0.122 0.000 2.558 412 S HA 0.261 4.732 4.470 0.001 0.000 0.238 412 S C 0.292 174.933 174.600 0.067 0.000 1.183 412 S CA -0.409 57.840 58.200 0.082 0.000 1.185 412 S CB -0.313 62.971 63.200 0.140 0.000 1.003 412 S HN 0.714 nan 8.310 nan 0.000 0.478 413 N N 1.798 120.542 118.700 0.073 0.000 2.936 413 N HA -0.128 4.612 4.740 0.001 0.000 0.236 413 N C -0.466 175.056 175.510 0.021 0.000 0.930 413 N CA 1.527 54.620 53.050 0.072 0.000 0.966 413 N CB -1.228 37.309 38.487 0.084 0.000 1.090 413 N HN 0.706 nan 8.380 nan 0.000 0.592 414 D N 0.892 121.264 120.400 -0.047 0.000 2.344 414 D HA 0.348 4.989 4.640 0.001 0.000 0.244 414 D C -2.389 173.759 176.300 -0.253 0.000 1.134 414 D CA -1.196 52.673 54.000 -0.218 0.000 0.930 414 D CB 0.098 40.642 40.800 -0.427 0.000 1.175 414 D HN -0.020 nan 8.370 nan 0.000 0.437 415 P HA 0.072 nan 4.420 nan 0.000 0.267 415 P C -1.984 174.988 177.300 -0.546 0.000 1.201 415 P CA -0.711 62.171 63.100 -0.364 0.000 0.775 415 P CB -0.131 31.468 31.700 -0.169 0.000 0.854 416 P HA -0.010 nan 4.420 nan 0.000 0.269 416 P C -0.076 177.013 177.300 -0.352 0.000 1.461 416 P CA 0.595 63.369 63.100 -0.545 0.000 0.809 416 P CB -0.635 30.799 31.700 -0.445 0.000 1.503 417 W N -0.853 120.586 121.300 0.232 0.000 3.197 417 W HA 0.146 4.807 4.660 0.002 0.000 0.274 417 W C 0.327 177.006 176.519 0.267 0.000 1.297 417 W CA -0.070 57.466 57.345 0.319 0.000 1.662 417 W CB 0.054 29.754 29.460 0.400 0.000 1.106 417 W HN -0.111 nan 8.180 nan 0.000 0.663 418 T N 0.945 115.727 114.554 0.379 0.000 3.741 418 T HA 0.086 4.436 4.350 0.001 0.000 0.242 418 T C -1.721 173.043 174.700 0.107 0.000 1.042 418 T CA -0.682 61.609 62.100 0.320 0.000 1.278 418 T CB 0.602 69.741 68.868 0.452 0.000 0.994 418 T HN -0.144 nan 8.240 nan 0.000 0.594 419 P HA 0.078 nan 4.420 nan 0.000 0.233 419 P C 0.546 177.704 177.300 -0.236 0.000 1.167 419 P CA 0.844 63.766 63.100 -0.297 0.000 0.770 419 P CB 0.538 31.873 31.700 -0.608 0.000 0.837 420 T N -2.104 112.324 114.554 -0.210 0.000 2.739 420 T HA 0.436 4.787 4.350 0.001 0.000 0.303 420 T C -2.705 171.977 174.700 -0.030 0.000 1.389 420 T CA -0.700 61.101 62.100 -0.498 0.000 1.001 420 T CB 1.186 69.730 68.868 -0.541 0.000 1.436 420 T HN -0.013 nan 8.240 nan 0.000 0.500 421 W N 4.459 125.572 121.300 -0.312 0.000 3.036 421 W HA 0.426 5.087 4.660 0.001 0.000 0.337 421 W C -2.703 173.806 176.519 -0.017 0.000 1.055 421 W CA -1.927 55.406 57.345 -0.020 0.000 1.248 421 W CB 1.844 31.416 29.460 0.188 0.000 1.335 421 W HN 0.601 nan 8.180 nan 0.000 0.446 422 P HA 0.070 nan 4.420 nan 0.000 0.272 422 P C 0.147 177.254 177.300 -0.321 0.000 1.230 422 P CA 0.121 62.839 63.100 -0.638 0.000 0.788 422 P CB 1.448 32.825 31.700 -0.538 0.000 0.949 423 V N -0.539 119.203 119.914 -0.287 0.000 3.376 423 V HA 0.250 4.371 4.120 0.001 0.000 0.303 423 V C 1.227 177.195 176.094 -0.210 0.000 1.100 423 V CA 0.855 63.046 62.300 -0.182 0.000 1.126 423 V CB -0.300 31.474 31.823 -0.081 0.000 1.085 423 V HN 0.807 nan 8.190 nan 0.000 0.480 424 T N -1.801 112.589 114.554 -0.274 0.000 3.043 424 T HA 0.423 4.774 4.350 0.001 0.000 0.272 424 T C -0.052 174.658 174.700 0.016 0.000 0.990 424 T CA 0.508 62.528 62.100 -0.134 0.000 0.897 424 T CB -0.410 68.412 68.868 -0.077 0.000 1.111 424 T HN 1.394 nan 8.240 nan 0.000 0.529 425 Y N -0.595 119.773 120.300 0.115 0.000 2.779 425 Y HA 0.715 5.266 4.550 0.001 0.000 0.340 425 Y C -0.914 175.084 175.900 0.163 0.000 1.252 425 Y CA -2.454 55.730 58.100 0.139 0.000 1.072 425 Y CB 0.392 38.996 38.460 0.240 0.000 1.343 425 Y HN 0.344 nan 8.280 nan 0.000 0.450 426 C N -1.862 117.703 119.300 0.441 0.000 3.154 426 C HA 0.706 5.167 4.460 0.001 0.000 0.312 426 C C -2.068 172.890 174.990 -0.053 0.000 1.349 426 C CA -2.181 56.955 59.018 0.198 0.000 1.518 426 C CB 1.911 29.665 27.740 0.022 0.000 1.934 426 C HN 0.668 nan 8.230 nan 0.000 0.462 427 P HA -0.119 nan 4.420 nan 0.000 0.216 427 P C 1.626 178.685 177.300 -0.402 0.000 1.154 427 P CA 3.210 65.662 63.100 -1.080 0.000 0.865 427 P CB -0.096 30.943 31.700 -1.102 0.000 0.789 428 A N -1.001 121.671 122.820 -0.248 0.000 2.178 428 A HA -0.181 4.140 4.320 0.001 0.000 0.218 428 A C 1.739 179.236 177.584 -0.144 0.000 1.157 428 A CA 1.408 53.354 52.037 -0.151 0.000 0.689 428 A CB -1.516 17.418 19.000 -0.110 0.000 0.787 428 A HN 0.321 nan 8.150 nan 0.000 0.465 429 N N -0.864 117.733 118.700 -0.172 0.000 2.398 429 N HA 0.039 4.780 4.740 0.001 0.000 0.188 429 N C -0.363 174.775 175.510 -0.619 0.000 1.122 429 N CA 0.076 52.926 53.050 -0.333 0.000 0.866 429 N CB 0.165 38.449 38.487 -0.338 0.000 0.970 429 N HN 0.557 nan 8.380 nan 0.000 0.462 430 H N -0.421 118.577 119.070 -0.119 0.000 2.980 430 H HA 0.272 4.829 4.556 0.001 0.000 0.367 430 H C -2.480 172.731 175.328 -0.196 0.000 1.206 430 H CA -1.696 54.263 56.048 -0.148 0.000 1.126 430 H CB 1.429 31.126 29.762 -0.108 0.000 1.838 430 H HN -0.079 nan 8.280 nan 0.000 0.552 431 P HA -0.038 nan 4.420 nan 0.000 0.268 431 P C 0.776 177.850 177.300 -0.377 0.000 1.205 431 P CA -0.008 62.850 63.100 -0.403 0.000 0.771 431 P CB 0.758 31.957 31.700 -0.835 0.000 0.858 432 S N 1.633 117.215 115.700 -0.197 0.000 2.595 432 S HA -0.167 4.303 4.470 0.001 0.000 0.235 432 S C 1.215 175.877 174.600 0.102 0.000 0.974 432 S CA 0.400 58.594 58.200 -0.010 0.000 0.942 432 S CB -1.218 62.025 63.200 0.071 0.000 0.766 432 S HN 0.603 nan 8.310 nan 0.000 0.536 433 Y N -0.713 119.687 120.300 0.166 0.000 2.458 433 Y HA 0.543 5.094 4.550 0.001 0.000 0.256 433 Y C 1.353 177.318 175.900 0.108 0.000 1.159 433 Y CA -1.194 57.015 58.100 0.182 0.000 1.261 433 Y CB -0.546 38.020 38.460 0.177 0.000 1.119 433 Y HN 0.136 nan 8.280 nan 0.000 0.524 434 L N 0.689 121.952 121.223 0.066 0.000 2.072 434 L HA 0.277 4.618 4.340 0.001 0.000 0.205 434 L C 0.962 177.887 176.870 0.092 0.000 1.079 434 L CA 0.884 55.769 54.840 0.076 0.000 0.752 434 L CB -0.203 41.760 42.059 -0.161 0.000 0.906 434 L HN 0.379 nan 8.230 nan 0.000 0.436 435 A N -1.463 121.397 122.820 0.067 0.000 2.604 435 A HA 0.643 4.964 4.320 0.001 0.000 0.295 435 A C -2.660 175.064 177.584 0.233 0.000 1.067 435 A CA -1.026 51.054 52.037 0.072 0.000 0.683 435 A CB 0.884 19.671 19.000 -0.355 0.000 1.281 435 A HN -0.190 nan 8.150 nan 0.000 0.407 436 P HA 0.337 nan 4.420 nan 0.000 0.272 436 P C -0.576 176.979 177.300 0.425 0.000 1.240 436 P CA 0.028 63.284 63.100 0.261 0.000 0.791 436 P CB 0.399 32.207 31.700 0.180 0.000 0.978 437 Q N -0.517 119.501 119.800 0.363 0.000 2.217 437 Q HA 0.170 4.511 4.340 0.001 0.000 0.340 437 Q C -0.269 175.908 176.000 0.295 0.000 0.893 437 Q CA -0.208 55.844 55.803 0.416 0.000 1.142 437 Q CB 0.258 29.143 28.738 0.246 0.000 1.288 437 Q HN 0.525 nan 8.270 nan 0.000 0.426 438 T N -2.604 112.073 114.554 0.204 0.000 2.874 438 T HA 0.471 4.822 4.350 0.001 0.000 0.281 438 T C -2.463 172.104 174.700 -0.222 0.000 0.994 438 T CA -2.088 60.045 62.100 0.056 0.000 1.015 438 T CB 0.984 69.879 68.868 0.045 0.000 1.028 438 T HN -0.121 nan 8.240 nan 0.000 0.523 439 P HA 0.088 nan 4.420 nan 0.000 0.265 439 P C -0.226 176.571 177.300 -0.838 0.000 1.193 439 P CA 0.027 62.395 63.100 -1.221 0.000 0.765 439 P CB 0.014 31.381 31.700 -0.554 0.000 0.823 440 H N 0.190 118.489 119.070 -1.285 0.000 2.683 440 H HA 0.181 4.738 4.556 0.001 0.000 0.339 440 H C 1.015 176.199 175.328 -0.240 0.000 1.081 440 H CA -0.736 55.048 56.048 -0.440 0.000 1.432 440 H CB 0.704 30.395 29.762 -0.118 0.000 1.462 440 H HN 0.478 nan 8.280 nan 0.000 0.557 441 S N 2.760 118.482 115.700 0.037 0.000 2.580 441 S HA -0.020 4.451 4.470 0.001 0.000 0.266 441 S C 1.440 176.124 174.600 0.141 0.000 1.354 441 S CA -0.668 57.584 58.200 0.086 0.000 1.008 441 S CB 0.605 63.871 63.200 0.110 0.000 0.898 441 S HN 0.589 nan 8.310 nan 0.000 0.555 442 L N 0.575 121.901 121.223 0.172 0.000 2.141 442 L HA -0.059 4.282 4.340 0.001 0.000 0.209 442 L C 2.990 179.988 176.870 0.213 0.000 1.094 442 L CA 1.605 56.562 54.840 0.196 0.000 0.763 442 L CB -0.615 41.579 42.059 0.226 0.000 0.908 442 L HN 0.827 nan 8.230 nan 0.000 0.437 443 R N 0.796 121.429 120.500 0.222 0.000 2.081 443 R HA -0.172 4.169 4.340 0.001 0.000 0.235 443 R C 2.330 178.807 176.300 0.295 0.000 1.131 443 R CA 1.517 57.774 56.100 0.262 0.000 0.960 443 R CB -0.220 30.203 30.300 0.205 0.000 0.856 443 R HN 0.300 nan 8.270 nan 0.000 0.436 444 A N 0.594 123.551 122.820 0.227 0.000 1.930 444 A HA -0.164 4.157 4.320 0.001 0.000 0.217 444 A C 2.026 179.751 177.584 0.234 0.000 1.175 444 A CA 1.290 53.461 52.037 0.224 0.000 0.627 444 A CB -0.353 18.727 19.000 0.134 0.000 0.815 444 A HN 0.520 nan 8.150 nan 0.000 0.443 445 Q N -0.975 118.954 119.800 0.216 0.000 2.119 445 Q HA -0.161 4.180 4.340 0.001 0.000 0.201 445 Q C 2.261 178.328 176.000 0.113 0.000 0.972 445 Q CA 1.216 57.120 55.803 0.168 0.000 0.847 445 Q CB -0.140 28.698 28.738 0.166 0.000 0.903 445 Q HN 0.594 nan 8.270 nan 0.000 0.433 446 Q N 0.002 119.893 119.800 0.152 0.000 2.079 446 Q HA -0.135 4.206 4.340 0.001 0.000 0.200 446 Q C 2.224 178.257 176.000 0.056 0.000 0.974 446 Q CA 1.234 57.098 55.803 0.102 0.000 0.840 446 Q CB -0.354 28.490 28.738 0.176 0.000 0.898 446 Q HN 0.247 nan 8.270 nan 0.000 0.430 447 S N -0.025 115.799 115.700 0.206 0.000 2.359 447 S HA -0.142 4.329 4.470 0.001 0.000 0.223 447 S C 2.071 176.755 174.600 0.140 0.000 1.039 447 S CA 1.575 59.953 58.200 0.298 0.000 1.042 447 S CB -0.175 63.374 63.200 0.583 0.000 0.915 447 S HN 0.200 nan 8.310 nan 0.000 0.439 448 V N 2.183 122.168 119.914 0.117 0.000 2.295 448 V HA -0.148 3.973 4.120 0.001 0.000 0.246 448 V C 2.751 178.744 176.094 -0.168 0.000 1.049 448 V CA 2.079 64.398 62.300 0.032 0.000 1.024 448 V CB -0.756 31.077 31.823 0.018 0.000 0.648 448 V HN 0.435 nan 8.190 nan 0.000 0.447 449 R N -0.577 119.828 120.500 -0.158 0.000 2.070 449 R HA -0.054 4.287 4.340 0.001 0.000 0.233 449 R C 1.186 177.327 176.300 -0.265 0.000 1.137 449 R CA 0.861 56.845 56.100 -0.193 0.000 0.945 449 R CB -0.464 29.758 30.300 -0.131 0.000 0.845 449 R HN 0.358 nan 8.270 nan 0.000 0.430 453 E N 1.719 121.809 120.200 -0.183 0.000 2.435 453 E HA 0.214 4.565 4.350 0.001 0.000 0.195 453 E C -0.258 176.257 176.600 -0.141 0.000 1.029 453 E CA 0.199 56.521 56.400 -0.129 0.000 0.865 453 E CB 0.066 29.686 29.700 -0.132 0.000 0.833 453 E HN 0.491 nan 8.360 nan 0.000 0.510 454 N N 1.175 119.755 118.700 -0.200 0.000 2.361 454 N HA 0.196 4.937 4.740 0.001 0.000 0.302 454 N C -1.117 174.301 175.510 -0.153 0.000 1.074 454 N CA -0.284 52.659 53.050 -0.178 0.000 0.850 454 N CB 1.965 40.319 38.487 -0.221 0.000 1.228 454 N HN -0.053 nan 8.380 nan 0.000 0.491 455 D N -0.758 119.575 120.400 -0.111 0.000 2.531 455 D HA 0.233 4.874 4.640 0.001 0.000 0.244 455 D C -0.747 175.504 176.300 -0.082 0.000 1.090 455 D CA -0.167 53.781 54.000 -0.087 0.000 0.989 455 D CB 1.155 41.919 40.800 -0.060 0.000 1.433 455 D HN 0.496 nan 8.370 nan 0.000 0.492 456 D N 0.355 120.712 120.400 -0.072 0.000 2.772 456 D HA -0.177 4.464 4.640 0.001 0.000 0.233 456 D C -0.755 175.498 176.300 -0.079 0.000 1.143 456 D CA 0.480 54.440 54.000 -0.068 0.000 0.700 456 D CB -1.208 39.558 40.800 -0.057 0.000 1.076 456 D HN 0.374 nan 8.370 nan 0.000 0.430 457 L N 0.234 121.399 121.223 -0.097 0.000 2.485 457 L HA 0.227 4.568 4.340 0.001 0.000 0.275 457 L C 1.499 178.308 176.870 -0.102 0.000 1.207 457 L CA 0.932 55.710 54.840 -0.103 0.000 0.855 457 L CB 0.595 42.579 42.059 -0.126 0.000 1.114 457 L HN 0.288 nan 8.230 nan 0.000 0.485 458 T N -0.632 113.873 114.554 -0.081 0.000 2.942 458 T HA 0.306 4.657 4.350 0.001 0.000 0.289 458 T C 0.645 175.306 174.700 -0.065 0.000 1.044 458 T CA -0.931 61.122 62.100 -0.078 0.000 1.023 458 T CB 1.607 70.437 68.868 -0.063 0.000 1.123 458 T HN 0.401 nan 8.240 nan 0.000 0.512 459 L N 0.823 122.005 121.223 -0.068 0.000 2.042 459 L HA 0.005 4.345 4.340 0.001 0.000 0.210 459 L C 2.310 179.167 176.870 -0.021 0.000 1.076 459 L CA 2.003 56.825 54.840 -0.031 0.000 0.749 459 L CB -1.196 40.848 42.059 -0.024 0.000 0.893 459 L HN 0.810 nan 8.230 nan 0.000 0.432 460 E N -0.562 119.593 120.200 -0.075 0.000 2.051 460 E HA -0.242 4.109 4.350 0.001 0.000 0.192 460 E C 2.323 178.846 176.600 -0.129 0.000 0.991 460 E CA 1.398 57.722 56.400 -0.126 0.000 0.799 460 E CB -0.332 29.304 29.700 -0.107 0.000 0.748 460 E HN 0.303 nan 8.360 nan 0.000 0.449 461 R N 0.043 120.492 120.500 -0.085 0.000 2.081 461 R HA -0.032 4.308 4.340 0.001 0.000 0.235 461 R C 0.675 176.921 176.300 -0.090 0.000 1.131 461 R CA 0.506 56.549 56.100 -0.094 0.000 0.960 461 R CB -0.808 29.447 30.300 -0.076 0.000 0.856 461 R HN 0.132 nan 8.270 nan 0.000 0.436 465 L N 0.551 121.562 121.223 -0.354 0.000 2.141 465 L HA -0.145 4.196 4.340 0.001 0.000 0.209 465 L C 2.635 179.433 176.870 -0.121 0.000 1.094 465 L CA 1.672 56.391 54.840 -0.201 0.000 0.763 465 L CB -0.206 41.730 42.059 -0.204 0.000 0.908 465 L HN 0.561 nan 8.230 nan 0.000 0.437 466 Q N 0.546 120.181 119.800 -0.274 0.000 2.226 466 Q HA -0.168 4.173 4.340 0.001 0.000 0.204 466 Q C 1.967 178.038 176.000 0.118 0.000 0.975 466 Q CA 1.537 57.249 55.803 -0.151 0.000 0.866 466 Q CB -0.096 28.394 28.738 -0.413 0.000 0.915 466 Q HN 0.565 nan 8.270 nan 0.000 0.440 467 F N 0.665 120.605 119.950 -0.016 0.000 2.802 467 F HA 0.043 4.571 4.527 0.001 0.000 0.300 467 F C 1.077 176.828 175.800 -0.081 0.000 1.168 467 F CA -0.751 57.232 58.000 -0.028 0.000 1.433 467 F CB 0.210 39.161 39.000 -0.082 0.000 1.115 467 F HN -0.192 nan 8.300 nan 0.000 0.582 468 S N 0.789 116.573 115.700 0.139 0.000 2.563 468 S HA -0.128 4.343 4.470 0.001 0.000 0.294 468 S C 0.308 175.040 174.600 0.221 0.000 1.279 468 S CA 0.105 58.354 58.200 0.082 0.000 1.069 468 S CB -0.388 62.868 63.200 0.093 0.000 0.828 468 S HN 0.511 nan 8.310 nan 0.000 0.497 469 H N 0.368 119.576 119.070 0.229 0.000 2.901 469 H HA 0.463 5.020 4.556 0.002 0.000 0.227 469 H C -0.168 175.313 175.328 0.255 0.000 1.390 469 H CA -0.963 55.264 56.048 0.298 0.000 1.120 469 H CB 0.187 30.145 29.762 0.327 0.000 2.131 469 H HN 0.307 nan 8.280 nan 0.000 0.549 470 R N 1.724 122.417 120.500 0.321 0.000 2.438 470 R HA 0.366 4.706 4.340 0.001 0.000 0.287 470 R C -0.012 176.308 176.300 0.034 0.000 1.077 470 R CA 0.110 56.251 56.100 0.069 0.000 1.034 470 R CB 0.641 30.958 30.300 0.029 0.000 0.993 470 R HN 0.563 nan 8.270 nan 0.000 0.459 471 A N 5.535 128.126 122.820 -0.381 0.000 3.056 471 A HA 0.262 4.583 4.320 0.001 0.000 0.274 471 A C 0.080 177.552 177.584 -0.186 0.000 1.661 471 A CA -0.658 51.157 52.037 -0.371 0.000 1.363 471 A CB -0.557 17.792 19.000 -1.085 0.000 1.139 471 A HN 0.567 nan 8.150 nan 0.000 0.598 475 D N 0.561 120.911 120.400 -0.083 0.000 2.178 475 D HA -0.094 4.547 4.640 0.001 0.000 0.202 475 D C 1.606 178.001 176.300 0.158 0.000 0.974 475 D CA 0.897 54.896 54.000 -0.003 0.000 0.841 475 D CB -0.041 40.754 40.800 -0.008 0.000 0.953 475 D HN 0.308 nan 8.370 nan 0.000 0.478 476 R N 0.148 120.783 120.500 0.224 0.000 2.240 476 R HA 0.028 4.369 4.340 0.001 0.000 0.203 476 R C 1.990 178.337 176.300 0.078 0.000 1.011 476 R CA 0.819 57.092 56.100 0.289 0.000 1.007 476 R CB -0.355 30.186 30.300 0.403 0.000 0.911 476 R HN 0.348 nan 8.270 nan 0.000 0.468 477 T N -3.130 111.490 114.554 0.110 0.000 3.028 477 T HA 0.205 4.556 4.350 0.001 0.000 0.250 477 T C 2.007 176.645 174.700 -0.104 0.000 0.979 477 T CA -0.305 61.785 62.100 -0.016 0.000 1.004 477 T CB -0.243 68.629 68.868 0.007 0.000 1.120 477 T HN -0.042 nan 8.240 nan 0.000 0.482 478 L N 1.342 122.524 121.223 -0.068 0.000 2.127 478 L HA 0.020 4.361 4.340 0.001 0.000 0.211 478 L C -0.614 176.208 176.870 -0.080 0.000 1.089 478 L CA 1.419 56.191 54.840 -0.112 0.000 0.757 478 L CB -1.736 40.268 42.059 -0.092 0.000 0.899 478 L HN 0.260 nan 8.230 nan 0.000 0.434 479 P HA -0.138 nan 4.420 nan 0.000 0.216 479 P C 0.844 178.141 177.300 -0.005 0.000 1.150 479 P CA 1.352 64.458 63.100 0.010 0.000 0.837 479 P CB 0.073 31.831 31.700 0.097 0.000 0.786 480 D N -1.859 118.520 120.400 -0.036 0.000 2.277 480 D HA -0.012 4.629 4.640 0.001 0.000 0.209 480 D C 1.734 177.998 176.300 -0.059 0.000 0.970 480 D CA 0.402 54.384 54.000 -0.031 0.000 0.874 480 D CB -0.659 40.122 40.800 -0.032 0.000 0.982 480 D HN 0.015 nan 8.370 nan 0.000 0.504 481 L N 0.909 122.055 121.223 -0.129 0.000 2.044 481 L HA -0.079 4.262 4.340 0.001 0.000 0.205 481 L C 1.877 178.652 176.870 -0.157 0.000 1.075 481 L CA 1.203 55.925 54.840 -0.196 0.000 0.747 481 L CB -0.398 41.391 42.059 -0.450 0.000 0.903 481 L HN -0.100 nan 8.230 nan 0.000 0.435 482 I N 1.128 121.616 120.570 -0.136 0.000 2.118 482 I HA -0.203 3.968 4.170 0.001 0.000 0.241 482 I C -0.130 175.951 176.117 -0.060 0.000 1.070 482 I CA 1.919 63.161 61.300 -0.096 0.000 1.327 482 I CB -2.994 34.964 38.000 -0.070 0.000 1.034 482 I HN 0.285 nan 8.210 nan 0.000 0.405 483 P HA -0.135 nan 4.420 nan 0.000 0.216 483 P C 1.548 178.837 177.300 -0.018 0.000 1.150 483 P CA 2.104 65.190 63.100 -0.022 0.000 0.837 483 P CB 0.031 31.725 31.700 -0.010 0.000 0.786 484 A N 0.611 123.418 122.820 -0.021 0.000 1.898 484 A HA 0.009 4.330 4.320 0.001 0.000 0.216 484 A C 2.518 180.094 177.584 -0.014 0.000 1.181 484 A CA 2.001 54.033 52.037 -0.009 0.000 0.620 484 A CB -1.479 17.521 19.000 -0.000 0.000 0.819 484 A HN 0.236 nan 8.150 nan 0.000 0.442 485 A N -0.325 122.473 122.820 -0.036 0.000 1.969 485 A HA 0.047 4.368 4.320 0.001 0.000 0.218 485 A C 2.074 179.643 177.584 -0.024 0.000 1.169 485 A CA 1.254 53.269 52.037 -0.036 0.000 0.635 485 A CB -0.540 18.417 19.000 -0.071 0.000 0.810 485 A HN 0.459 nan 8.150 nan 0.000 0.445 486 L N -0.035 121.173 121.223 -0.025 0.000 2.191 486 L HA -0.117 4.223 4.340 0.001 0.000 0.212 486 L C 2.156 179.021 176.870 -0.009 0.000 1.103 486 L CA 1.238 56.068 54.840 -0.017 0.000 0.769 486 L CB -0.481 41.567 42.059 -0.018 0.000 0.908 486 L HN 0.668 nan 8.230 nan 0.000 0.438 487 I N -3.765 116.802 120.570 -0.005 0.000 3.793 487 I HA 0.120 4.291 4.170 0.001 0.000 0.315 487 I C 0.350 176.469 176.117 0.004 0.000 1.275 487 I CA -0.293 61.007 61.300 0.001 0.000 1.214 487 I CB -0.356 37.647 38.000 0.004 0.000 1.018 487 I HN 0.014 nan 8.210 nan 0.000 0.439 488 D N 2.954 123.356 120.400 0.003 0.000 2.345 488 D HA 0.168 4.809 4.640 0.001 0.000 0.247 488 D C -1.087 175.217 176.300 0.006 0.000 1.108 488 D CA -1.761 52.244 54.000 0.007 0.000 0.894 488 D CB 1.303 42.108 40.800 0.009 0.000 1.203 488 D HN -0.007 nan 8.370 nan 0.000 0.430 489 P HA -0.135 nan 4.420 nan 0.000 0.218 489 P C 0.042 177.345 177.300 0.006 0.000 1.149 489 P CA 0.584 63.688 63.100 0.007 0.000 0.817 489 P CB 0.098 31.802 31.700 0.008 0.000 0.785 490 D N 1.446 121.850 120.400 0.008 0.000 2.382 490 D HA 0.007 4.648 4.640 0.001 0.000 0.259 490 D C -1.045 175.258 176.300 0.004 0.000 1.224 490 D CA -1.933 52.072 54.000 0.007 0.000 0.894 490 D CB 0.915 41.721 40.800 0.011 0.000 1.127 490 D HN 0.114 nan 8.370 nan 0.000 0.487 491 P HA -0.158 nan 4.420 nan 0.000 0.220 491 P C 1.110 178.410 177.300 -0.001 0.000 1.148 491 P CA 0.849 63.950 63.100 0.000 0.000 0.803 491 P CB 0.419 32.120 31.700 0.000 0.000 0.782 492 E N 0.129 120.331 120.200 0.002 0.000 2.107 492 E HA -0.088 4.263 4.350 0.001 0.000 0.191 492 E C 1.908 178.508 176.600 0.001 0.000 0.982 492 E CA 0.715 57.116 56.400 0.003 0.000 0.809 492 E CB -0.225 29.479 29.700 0.007 0.000 0.756 492 E HN -0.039 nan 8.360 nan 0.000 0.459 493 V N 1.084 121.000 119.914 0.003 0.000 2.427 493 V HA -0.251 3.870 4.120 0.001 0.000 0.248 493 V C 2.317 178.404 176.094 -0.012 0.000 1.051 493 V CA 1.884 64.184 62.300 -0.001 0.000 1.048 493 V CB -0.506 31.320 31.823 0.005 0.000 0.666 493 V HN 0.302 nan 8.190 nan 0.000 0.456 494 Q N -0.072 119.722 119.800 -0.010 0.000 2.050 494 Q HA -0.165 4.176 4.340 0.001 0.000 0.202 494 Q C 2.452 178.442 176.000 -0.017 0.000 0.980 494 Q CA 1.854 57.649 55.803 -0.014 0.000 0.840 494 Q CB -0.455 28.277 28.738 -0.009 0.000 0.898 494 Q HN 0.658 nan 8.270 nan 0.000 0.424 495 A N 0.963 123.776 122.820 -0.013 0.000 1.940 495 A HA -0.171 4.150 4.320 0.001 0.000 0.219 495 A C 2.256 179.828 177.584 -0.020 0.000 1.176 495 A CA 1.680 53.709 52.037 -0.014 0.000 0.631 495 A CB -0.797 18.197 19.000 -0.011 0.000 0.814 495 A HN 0.419 nan 8.150 nan 0.000 0.446 496 A N -0.233 122.574 122.820 -0.021 0.000 1.930 496 A HA 0.203 4.524 4.320 0.001 0.000 0.217 496 A C 2.492 180.051 177.584 -0.041 0.000 1.175 496 A CA 1.912 53.932 52.037 -0.028 0.000 0.627 496 A CB -0.956 18.033 19.000 -0.020 0.000 0.815 496 A HN 1.044 nan 8.150 nan 0.000 0.443 497 A N -0.053 122.740 122.820 -0.045 0.000 1.902 497 A HA -0.170 4.151 4.320 0.001 0.000 0.217 497 A C 2.257 179.818 177.584 -0.038 0.000 1.181 497 A CA 1.500 53.503 52.037 -0.055 0.000 0.623 497 A CB -0.446 18.523 19.000 -0.053 0.000 0.818 497 A HN 0.550 nan 8.150 nan 0.000 0.443 498 R N -1.229 119.254 120.500 -0.028 0.000 2.090 498 R HA -0.040 4.301 4.340 0.001 0.000 0.228 498 R C 2.110 178.401 176.300 -0.015 0.000 1.110 498 R CA 1.211 57.300 56.100 -0.019 0.000 0.973 498 R CB -0.567 29.723 30.300 -0.016 0.000 0.869 498 R HN 0.500 nan 8.270 nan 0.000 0.440 499 L N 1.308 122.517 121.223 -0.024 0.000 2.017 499 L HA -0.137 4.203 4.340 0.001 0.000 0.208 499 L C 1.985 178.844 176.870 -0.019 0.000 1.073 499 L CA 1.679 56.500 54.840 -0.032 0.000 0.745 499 L CB -0.410 41.617 42.059 -0.053 0.000 0.894 499 L HN 0.100 nan 8.230 nan 0.000 0.432 500 L N -0.631 120.583 121.223 -0.015 0.000 2.141 500 L HA -0.144 4.197 4.340 0.001 0.000 0.209 500 L C 2.625 179.549 176.870 0.089 0.000 1.094 500 L CA 1.016 55.881 54.840 0.042 0.000 0.763 500 L CB -0.830 41.239 42.059 0.017 0.000 0.908 500 L HN 0.403 nan 8.230 nan 0.000 0.437 501 A N -0.092 122.744 122.820 0.026 0.000 1.930 501 A HA -0.059 4.262 4.320 0.001 0.000 0.217 501 A C 2.357 179.955 177.584 0.023 0.000 1.175 501 A CA 1.484 53.527 52.037 0.010 0.000 0.627 501 A CB -0.482 18.511 19.000 -0.012 0.000 0.815 501 A HN 0.374 nan 8.150 nan 0.000 0.443 502 A N -2.116 120.728 122.820 0.041 0.000 2.208 502 A HA 0.192 4.513 4.320 0.001 0.000 0.209 502 A C 0.614 178.256 177.584 0.096 0.000 1.161 502 A CA -0.168 51.894 52.037 0.040 0.000 0.782 502 A CB -0.421 18.593 19.000 0.023 0.000 0.816 502 A HN 0.647 nan 8.150 nan 0.000 0.477 503 W N 2.543 123.772 121.300 -0.118 0.000 2.216 503 W HA 0.327 4.988 4.660 0.001 0.000 0.326 503 W C 0.185 176.601 176.519 -0.171 0.000 1.319 503 W CA -0.550 56.703 57.345 -0.154 0.000 1.213 503 W CB 0.682 30.026 29.460 -0.193 0.000 1.171 503 W HN 0.394 nan 8.180 nan 0.000 0.557 504 D N 4.095 124.363 120.400 -0.220 0.000 2.352 504 D HA -0.104 4.537 4.640 0.001 0.000 0.232 504 D C 0.540 176.356 176.300 -0.806 0.000 1.055 504 D CA 0.125 53.890 54.000 -0.391 0.000 0.891 504 D CB -0.312 40.362 40.800 -0.209 0.000 0.897 504 D HN 0.648 nan 8.370 nan 0.000 0.529 505 R N -0.588 118.855 120.500 -1.761 0.000 3.525 505 R HA -0.125 4.216 4.340 0.001 0.000 0.276 505 R C -0.919 174.524 176.300 -1.429 0.000 1.116 505 R CA 0.924 55.699 56.100 -2.210 0.000 0.745 505 R CB -2.040 27.515 30.300 -1.242 0.000 1.185 505 R HN 0.310 nan 8.270 nan 0.000 0.454 506 D N -0.364 119.406 120.400 -1.050 0.000 2.619 506 D HA 0.206 4.847 4.640 0.001 0.000 0.241 506 D C -0.263 175.731 176.300 -0.511 0.000 1.087 506 D CA -0.605 53.051 54.000 -0.572 0.000 0.851 506 D CB 0.780 41.440 40.800 -0.233 0.000 1.474 506 D HN -0.048 nan 8.370 nan 0.000 0.478 507 F N 1.737 121.406 119.950 -0.469 0.000 2.659 507 F HA 0.079 4.607 4.527 0.001 0.000 0.360 507 F C 1.453 176.753 175.800 -0.834 0.000 1.218 507 F CA -0.314 57.279 58.000 -0.677 0.000 1.317 507 F CB -0.099 38.574 39.000 -0.545 0.000 1.697 507 F HN 0.014 nan 8.300 nan 0.000 0.637 508 T N -3.312 110.998 114.554 -0.406 0.000 2.918 508 T HA 0.187 4.537 4.350 0.001 0.000 0.283 508 T C 1.365 176.066 174.700 0.002 0.000 1.001 508 T CA -0.794 61.205 62.100 -0.168 0.000 1.041 508 T CB 1.732 70.574 68.868 -0.044 0.000 1.028 508 T HN 0.233 nan 8.240 nan 0.000 0.511 509 S N 1.141 116.908 115.700 0.113 0.000 2.383 509 S HA -0.133 4.338 4.470 0.001 0.000 0.229 509 S C 1.746 176.404 174.600 0.098 0.000 1.030 509 S CA 1.439 59.732 58.200 0.156 0.000 1.002 509 S CB -0.468 62.784 63.200 0.086 0.000 0.829 509 S HN 0.973 nan 8.310 nan 0.000 0.467 510 D N 1.011 121.443 120.400 0.053 0.000 2.349 510 D HA 0.044 4.684 4.640 0.001 0.000 0.224 510 D C 0.537 176.843 176.300 0.010 0.000 1.029 510 D CA 0.092 54.107 54.000 0.025 0.000 0.879 510 D CB -0.332 40.480 40.800 0.020 0.000 0.906 510 D HN 0.198 nan 8.370 nan 0.000 0.528 511 S N 0.294 115.999 115.700 0.008 0.000 2.515 511 S HA 0.091 4.562 4.470 0.001 0.000 0.285 511 S C 0.956 175.480 174.600 -0.128 0.000 1.265 511 S CA -0.449 57.714 58.200 -0.062 0.000 1.079 511 S CB 0.538 63.679 63.200 -0.100 0.000 0.877 511 S HN 0.172 nan 8.310 nan 0.000 0.493 512 R N 3.343 123.739 120.500 -0.174 0.000 2.300 512 R HA 0.200 4.541 4.340 0.001 0.000 0.199 512 R C 1.718 177.856 176.300 -0.270 0.000 0.920 512 R CA 0.724 56.722 56.100 -0.170 0.000 1.046 512 R CB 0.067 30.302 30.300 -0.108 0.000 0.984 512 R HN 0.684 nan 8.270 nan 0.000 0.493 513 A N 0.336 122.846 122.820 -0.515 0.000 2.140 513 A HA 0.285 4.606 4.320 0.001 0.000 0.209 513 A C 2.090 179.167 177.584 -0.844 0.000 1.181 513 A CA 0.592 52.233 52.037 -0.660 0.000 0.824 513 A CB 0.075 18.610 19.000 -0.774 0.000 0.879 513 A HN 0.242 nan 8.150 nan 0.000 0.480 514 A N 0.799 123.035 122.820 -0.973 0.000 1.873 514 A HA -0.173 4.148 4.320 0.001 0.000 0.218 514 A C 2.084 179.685 177.584 0.028 0.000 1.193 514 A CA 1.776 53.481 52.037 -0.552 0.000 0.629 514 A CB -0.799 18.060 19.000 -0.235 0.000 0.826 514 A HN 0.481 nan 8.150 nan 0.000 0.447 515 L N -1.223 120.015 121.223 0.025 0.000 2.042 515 L HA -0.193 4.148 4.340 0.001 0.000 0.210 515 L C 2.610 179.520 176.870 0.067 0.000 1.076 515 L CA 1.415 56.243 54.840 -0.021 0.000 0.749 515 L CB -0.685 41.123 42.059 -0.417 0.000 0.893 515 L HN 0.509 nan 8.230 nan 0.000 0.432 516 L N -0.487 120.741 121.223 0.009 0.000 2.046 516 L HA -0.235 4.106 4.340 0.001 0.000 0.208 516 L C 2.389 179.354 176.870 0.159 0.000 1.077 516 L CA 1.660 56.544 54.840 0.074 0.000 0.747 516 L CB -0.694 41.369 42.059 0.007 0.000 0.896 516 L HN 0.100 nan 8.230 nan 0.000 0.432 517 F N 0.727 120.675 119.950 -0.004 0.000 2.126 517 F HA -0.204 4.323 4.527 0.002 0.000 0.299 517 F C 2.291 178.298 175.800 0.345 0.000 1.096 517 F CA 2.041 60.133 58.000 0.153 0.000 1.255 517 F CB -0.303 38.746 39.000 0.082 0.000 0.997 517 F HN 0.257 nan 8.300 nan 0.000 0.479 518 E N -0.123 120.261 120.200 0.307 0.000 2.038 518 E HA -0.238 4.113 4.350 0.001 0.000 0.195 518 E C 2.117 178.876 176.600 0.265 0.000 1.000 518 E CA 1.462 58.035 56.400 0.288 0.000 0.803 518 E CB -0.279 29.679 29.700 0.431 0.000 0.750 518 E HN 0.383 nan 8.360 nan 0.000 0.448 519 E N 0.098 120.446 120.200 0.248 0.000 2.130 519 E HA -0.213 4.137 4.350 0.001 0.000 0.196 519 E C 1.613 178.302 176.600 0.148 0.000 0.998 519 E CA 0.899 57.418 56.400 0.199 0.000 0.806 519 E CB -0.382 29.437 29.700 0.198 0.000 0.738 519 E HN 0.431 nan 8.360 nan 0.000 0.459 520 W N 1.412 122.691 121.300 -0.034 0.000 2.379 520 W HA -0.077 4.584 4.660 0.001 0.000 0.307 520 W C 2.398 178.879 176.519 -0.064 0.000 1.200 520 W CA 2.202 59.500 57.345 -0.078 0.000 1.297 520 W CB -0.472 28.892 29.460 -0.160 0.000 1.140 520 W HN 0.035 nan 8.180 nan 0.000 0.507 521 A N 0.800 123.517 122.820 -0.172 0.000 1.978 521 A HA -0.191 4.130 4.320 0.001 0.000 0.220 521 A C 1.986 179.598 177.584 0.048 0.000 1.170 521 A CA 1.735 53.666 52.037 -0.177 0.000 0.636 521 A CB -0.735 18.225 19.000 -0.066 0.000 0.810 521 A HN 0.429 nan 8.150 nan 0.000 0.448 522 R N -0.661 119.897 120.500 0.097 0.000 2.120 522 R HA -0.048 4.293 4.340 0.001 0.000 0.234 522 R C 1.822 177.992 176.300 -0.218 0.000 1.123 522 R CA 1.427 57.433 56.100 -0.158 0.000 0.975 522 R CB -0.376 29.834 30.300 -0.151 0.000 0.866 522 R HN 0.541 nan 8.270 nan 0.000 0.446 523 L N -1.321 119.761 121.223 -0.235 0.000 2.145 523 L HA -0.023 4.318 4.340 0.001 0.000 0.201 523 L C 2.182 178.857 176.870 -0.326 0.000 1.075 523 L CA 0.554 55.241 54.840 -0.255 0.000 0.773 523 L CB -0.428 41.498 42.059 -0.222 0.000 0.936 523 L HN 0.067 nan 8.230 nan 0.000 0.451 524 F N 1.364 120.878 119.950 -0.728 0.000 2.134 524 F HA -0.127 4.401 4.527 0.001 0.000 0.299 524 F C 1.904 177.416 175.800 -0.480 0.000 1.097 524 F CA 1.420 58.949 58.000 -0.786 0.000 1.264 524 F CB 0.060 38.132 39.000 -1.546 0.000 1.001 524 F HN -0.029 nan 8.300 nan 0.000 0.479 525 A N -0.220 122.420 122.820 -0.299 0.000 2.589 525 A HA 0.591 4.912 4.320 0.001 0.000 0.283 525 A C 0.754 178.249 177.584 -0.148 0.000 1.187 525 A CA 0.329 52.240 52.037 -0.211 0.000 0.957 525 A CB -0.882 18.171 19.000 0.088 0.000 1.175 525 A HN 0.930 nan 8.150 nan 0.000 0.532 526 G N -0.719 107.951 108.800 -0.217 0.000 2.758 526 G HA2 -0.157 3.804 3.960 0.001 0.000 0.686 526 G HA3 -0.157 3.804 3.960 0.001 0.000 0.686 526 G C 0.271 174.941 174.900 -0.383 0.000 1.389 526 G CA -0.114 44.844 45.100 -0.236 0.000 0.845 526 G HN 0.125 nan 8.290 nan 0.000 0.572 527 Q N 0.393 119.963 119.800 -0.383 0.000 2.234 527 Q HA -0.130 4.211 4.340 0.001 0.000 0.206 527 Q C 2.233 177.764 176.000 -0.781 0.000 0.980 527 Q CA 2.108 57.587 55.803 -0.540 0.000 0.869 527 Q CB -0.234 28.309 28.738 -0.326 0.000 0.912 527 Q HN 0.858 nan 8.270 nan 0.000 0.436 528 N N -0.833 117.569 118.700 -0.498 0.000 2.280 528 N HA -0.044 4.697 4.740 0.001 0.000 0.192 528 N C -0.090 175.325 175.510 -0.159 0.000 1.109 528 N CA -0.101 52.743 53.050 -0.343 0.000 0.855 528 N CB -0.505 37.904 38.487 -0.130 0.000 0.974 528 N HN 0.149 nan 8.380 nan 0.000 0.482 529 F N -1.870 118.043 119.950 -0.061 0.000 3.006 529 F HA -0.315 4.213 4.527 0.002 0.000 0.289 529 F C 1.302 177.143 175.800 0.068 0.000 0.772 529 F CA 0.418 58.420 58.000 0.003 0.000 1.162 529 F CB -1.715 37.308 39.000 0.038 0.000 1.382 529 F HN 0.317 nan 8.300 nan 0.000 0.406 530 A N 0.297 123.205 122.820 0.147 0.000 2.267 530 A HA 0.514 4.835 4.320 0.001 0.000 0.213 530 A C 1.653 179.303 177.584 0.110 0.000 1.192 530 A CA 0.535 52.652 52.037 0.134 0.000 0.851 530 A CB -0.459 18.587 19.000 0.077 0.000 0.881 530 A HN 0.514 nan 8.150 nan 0.000 0.494 531 G N -0.759 108.073 108.800 0.053 0.000 2.414 531 G HA2 0.320 4.281 3.960 0.001 0.000 0.236 531 G HA3 0.320 4.281 3.960 0.001 0.000 0.236 531 G C 0.396 175.355 174.900 0.098 0.000 1.293 531 G CA -0.136 44.964 45.100 -0.000 0.000 0.869 531 G HN 0.259 nan 8.290 nan 0.000 0.556 532 Q N 1.330 121.191 119.800 0.102 0.000 2.280 532 Q HA 0.136 4.477 4.340 0.001 0.000 0.244 532 Q C 2.447 178.552 176.000 0.176 0.000 0.847 532 Q CA 0.520 56.487 55.803 0.273 0.000 0.945 532 Q CB 0.612 29.474 28.738 0.205 0.000 1.115 532 Q HN 0.670 nan 8.270 nan 0.000 0.513 533 A N 1.003 123.812 122.820 -0.017 0.000 2.125 533 A HA 0.006 4.326 4.320 0.001 0.000 0.219 533 A C 1.986 179.476 177.584 -0.156 0.000 1.156 533 A CA 1.611 53.612 52.037 -0.060 0.000 0.671 533 A CB -0.188 18.760 19.000 -0.087 0.000 0.794 533 A HN 0.260 nan 8.150 nan 0.000 0.459 534 A N -1.434 121.120 122.820 -0.443 0.000 2.238 534 A HA 0.475 4.796 4.320 0.001 0.000 0.210 534 A C 0.399 177.797 177.584 -0.310 0.000 1.179 534 A CA -0.353 51.298 52.037 -0.644 0.000 0.827 534 A CB -0.243 17.743 19.000 -1.691 0.000 0.856 534 A HN 0.334 nan 8.150 nan 0.000 0.488 535 F N -1.211 118.748 119.950 0.014 0.000 2.382 535 F HA 0.450 4.978 4.527 0.002 0.000 0.331 535 F C 1.572 177.453 175.800 0.136 0.000 1.121 535 F CA 0.085 58.200 58.000 0.191 0.000 1.183 535 F CB 1.102 40.218 39.000 0.193 0.000 1.207 535 F HN 0.094 nan 8.300 nan 0.000 0.555 536 A N 1.055 124.076 122.820 0.334 0.000 1.898 536 A HA 0.044 4.365 4.320 0.001 0.000 0.214 536 A C 0.885 178.603 177.584 0.224 0.000 1.183 536 A CA 0.936 53.107 52.037 0.223 0.000 0.622 536 A CB -0.493 18.613 19.000 0.178 0.000 0.824 536 A HN 0.633 nan 8.150 nan 0.000 0.444 537 T N 2.696 117.410 114.554 0.266 0.000 2.772 537 T HA 0.478 4.829 4.350 0.001 0.000 0.288 537 T C -2.756 172.061 174.700 0.195 0.000 0.994 537 T CA -1.232 60.998 62.100 0.217 0.000 0.951 537 T CB 1.816 70.830 68.868 0.243 0.000 0.933 537 T HN 0.217 nan 8.240 nan 0.000 0.447 538 P HA 0.075 nan 4.420 nan 0.000 0.272 538 P C -0.325 177.059 177.300 0.140 0.000 1.240 538 P CA -0.680 62.515 63.100 0.159 0.000 0.791 538 P CB 0.910 32.697 31.700 0.146 0.000 0.978 539 W N 1.958 123.249 121.300 -0.015 0.000 2.170 539 W HA 0.270 4.931 4.660 0.001 0.000 0.342 539 W C -0.063 176.448 176.519 -0.014 0.000 1.294 539 W CA 1.161 58.485 57.345 -0.035 0.000 1.246 539 W CB 0.423 29.859 29.460 -0.039 0.000 1.156 539 W HN 0.296 nan 8.180 nan 0.000 0.572 540 S N 5.336 120.469 115.700 -0.945 0.000 2.575 540 S HA 0.207 4.678 4.470 0.001 0.000 0.278 540 S C -0.082 173.671 174.600 -1.411 0.000 1.139 540 S CA -0.849 56.838 58.200 -0.855 0.000 0.954 540 S CB 1.041 63.997 63.200 -0.408 0.000 1.054 540 S HN 0.615 nan 8.310 nan 0.000 0.483 541 L N 3.644 124.173 121.223 -1.157 0.000 2.456 541 L HA 0.171 4.512 4.340 0.001 0.000 0.224 541 L C 1.326 177.979 176.870 -0.361 0.000 1.148 541 L CA 1.865 56.227 54.840 -0.797 0.000 0.825 541 L CB -0.381 41.511 42.059 -0.279 0.000 0.937 541 L HN 0.717 nan 8.230 nan 0.000 0.450 542 D N -0.128 120.081 120.400 -0.318 0.000 2.317 542 D HA -0.035 4.606 4.640 0.001 0.000 0.211 542 D C 0.582 176.818 176.300 -0.107 0.000 0.966 542 D CA 0.791 54.708 54.000 -0.139 0.000 0.876 542 D CB 0.242 40.971 40.800 -0.119 0.000 0.927 542 D HN 0.356 nan 8.370 nan 0.000 0.519 543 K N 0.804 121.056 120.400 -0.246 0.000 3.029 543 K HA 0.145 4.466 4.320 0.001 0.000 0.169 543 K C -2.071 174.340 176.600 -0.315 0.000 1.090 543 K CA -0.982 55.189 56.287 -0.194 0.000 0.883 543 K CB 2.396 34.796 32.500 -0.166 0.000 1.080 543 K HN -0.104 nan 8.250 nan 0.000 0.613 544 P HA -0.124 nan 4.420 nan 0.000 0.225 544 P C 0.857 178.181 177.300 0.040 0.000 1.148 544 P CA 1.127 64.129 63.100 -0.164 0.000 0.779 544 P CB 0.175 31.829 31.700 -0.075 0.000 0.780 545 V N -3.708 116.148 119.914 -0.097 0.000 3.159 545 V HA 0.352 4.473 4.120 0.001 0.000 0.333 545 V C 1.077 177.162 176.094 -0.016 0.000 1.424 545 V CA 0.557 62.834 62.300 -0.039 0.000 1.125 545 V CB -0.493 31.230 31.823 -0.165 0.000 1.075 545 V HN 0.164 nan 8.190 nan 0.000 0.482 546 S N -0.623 115.066 115.700 -0.020 0.000 2.893 546 S HA 0.349 4.820 4.470 0.001 0.000 0.258 546 S C 0.548 175.164 174.600 0.028 0.000 1.034 546 S CA 0.415 58.609 58.200 -0.010 0.000 1.167 546 S CB 0.273 63.436 63.200 -0.061 0.000 1.137 546 S HN 0.905 nan 8.310 nan 0.000 0.650 547 T N -0.004 114.582 114.554 0.053 0.000 2.896 547 T HA 0.703 5.054 4.350 0.001 0.000 0.297 547 T C -3.481 171.359 174.700 0.233 0.000 1.108 547 T CA -2.090 60.059 62.100 0.082 0.000 1.004 547 T CB 2.081 70.916 68.868 -0.056 0.000 1.159 547 T HN -0.050 nan 8.240 nan 0.000 0.499 548 P HA 0.325 nan 4.420 nan 0.000 0.274 548 P C -1.502 175.755 177.300 -0.071 0.000 1.256 548 P CA -0.255 62.759 63.100 -0.143 0.000 0.795 548 P CB 0.545 31.897 31.700 -0.580 0.000 1.038 549 Y N -0.868 119.447 120.300 0.025 0.000 2.597 549 Y HA 0.484 5.034 4.550 0.001 0.000 0.340 549 Y C -0.050 176.075 175.900 0.375 0.000 1.097 549 Y CA 0.647 58.871 58.100 0.207 0.000 1.037 549 Y CB 1.516 40.047 38.460 0.118 0.000 1.305 549 Y HN 0.983 nan 8.280 nan 0.000 0.463 550 G N 1.163 109.366 108.800 -0.996 0.000 2.846 550 G HA2 -0.053 3.908 3.960 0.001 0.000 0.660 550 G HA3 -0.053 3.908 3.960 0.001 0.000 0.660 550 G C -1.972 172.947 174.900 0.032 0.000 1.464 550 G CA -0.519 44.226 45.100 -0.591 0.000 0.891 550 G HN 1.128 nan 8.290 nan 0.000 0.552 551 V N 2.094 122.030 119.914 0.037 0.000 2.347 551 V HA 0.417 4.538 4.120 0.001 0.000 0.280 551 V C 1.703 177.896 176.094 0.164 0.000 1.021 551 V CA 0.351 62.756 62.300 0.174 0.000 0.847 551 V CB 1.218 33.112 31.823 0.117 0.000 0.990 551 V HN 0.969 nan 8.190 nan 0.000 0.444 552 R N 2.847 123.461 120.500 0.190 0.000 2.070 552 R HA -0.095 4.246 4.340 0.001 0.000 0.233 552 R C 0.553 176.921 176.300 0.113 0.000 1.137 552 R CA 1.648 57.829 56.100 0.136 0.000 0.945 552 R CB 0.262 30.628 30.300 0.110 0.000 0.845 552 R HN 0.753 nan 8.270 nan 0.000 0.430 553 D N -0.241 120.235 120.400 0.126 0.000 2.432 553 D HA 0.156 4.797 4.640 0.001 0.000 0.265 553 D C -1.862 174.514 176.300 0.128 0.000 1.160 553 D CA -2.231 51.832 54.000 0.105 0.000 0.911 553 D CB 1.623 42.471 40.800 0.080 0.000 1.052 553 D HN 0.067 nan 8.370 nan 0.000 0.508 554 P HA -0.192 nan 4.420 nan 0.000 0.216 554 P C 1.108 178.464 177.300 0.094 0.000 1.150 554 P CA 0.961 64.120 63.100 0.099 0.000 0.843 554 P CB 0.713 32.449 31.700 0.061 0.000 0.787 555 K N 0.300 120.746 120.400 0.077 0.000 2.009 555 K HA -0.106 4.215 4.320 0.001 0.000 0.210 555 K C 2.454 179.105 176.600 0.085 0.000 1.049 555 K CA 1.721 58.049 56.287 0.067 0.000 0.929 555 K CB -0.847 31.684 32.500 0.053 0.000 0.714 555 K HN 0.037 nan 8.250 nan 0.000 0.440 556 A N 1.594 124.469 122.820 0.091 0.000 1.933 556 A HA -0.106 4.215 4.320 0.001 0.000 0.218 556 A C 2.406 180.082 177.584 0.154 0.000 1.175 556 A CA 1.807 53.902 52.037 0.096 0.000 0.628 556 A CB -0.728 18.316 19.000 0.074 0.000 0.814 556 A HN 0.362 nan 8.150 nan 0.000 0.444 557 A N -0.616 122.335 122.820 0.219 0.000 1.933 557 A HA -0.001 4.320 4.320 0.001 0.000 0.218 557 A C 2.185 179.995 177.584 0.376 0.000 1.175 557 A CA 1.789 54.057 52.037 0.386 0.000 0.628 557 A CB -0.772 18.482 19.000 0.423 0.000 0.814 557 A HN 0.390 nan 8.150 nan 0.000 0.444 558 V N 0.360 120.391 119.914 0.195 0.000 2.453 558 V HA -0.186 3.935 4.120 0.001 0.000 0.247 558 V C 2.047 178.222 176.094 0.136 0.000 1.048 558 V CA 2.025 64.401 62.300 0.126 0.000 1.049 558 V CB -0.665 31.194 31.823 0.061 0.000 0.672 558 V HN 0.496 nan 8.190 nan 0.000 0.457 559 D N -0.209 120.265 120.400 0.124 0.000 2.144 559 D HA -0.177 4.463 4.640 0.001 0.000 0.199 559 D C 2.311 178.684 176.300 0.122 0.000 0.984 559 D CA 1.185 55.243 54.000 0.097 0.000 0.834 559 D CB -0.083 40.759 40.800 0.070 0.000 0.955 559 D HN 0.532 nan 8.370 nan 0.000 0.465 560 Q N -0.045 119.859 119.800 0.174 0.000 2.124 560 Q HA -0.129 4.212 4.340 0.001 0.000 0.202 560 Q C 2.229 178.404 176.000 0.292 0.000 0.977 560 Q CA 0.566 56.469 55.803 0.167 0.000 0.850 560 Q CB -0.079 28.721 28.738 0.103 0.000 0.901 560 Q HN 0.172 nan 8.270 nan 0.000 0.429 561 L N 0.993 122.474 121.223 0.429 0.000 2.083 561 L HA -0.162 4.178 4.340 0.001 0.000 0.209 561 L C 2.306 179.282 176.870 0.177 0.000 1.083 561 L CA 1.685 56.740 54.840 0.359 0.000 0.752 561 L CB -0.417 41.699 42.059 0.095 0.000 0.899 561 L HN 0.051 nan 8.230 nan 0.000 0.433 562 R N -1.144 119.432 120.500 0.127 0.000 2.083 562 R HA -0.169 4.172 4.340 0.001 0.000 0.237 562 R C 1.993 178.338 176.300 0.076 0.000 1.137 562 R CA 2.188 58.336 56.100 0.079 0.000 0.951 562 R CB -0.454 29.884 30.300 0.062 0.000 0.851 562 R HN 0.433 nan 8.270 nan 0.000 0.434 563 T N 0.471 115.074 114.554 0.081 0.000 2.821 563 T HA -0.073 4.278 4.350 0.001 0.000 0.267 563 T C 1.790 176.533 174.700 0.071 0.000 1.046 563 T CA 1.196 63.332 62.100 0.059 0.000 1.139 563 T CB -0.226 68.667 68.868 0.042 0.000 0.871 563 T HN 0.435 nan 8.240 nan 0.000 0.454 564 A N 1.104 123.993 122.820 0.114 0.000 1.972 564 A HA 0.005 4.326 4.320 0.001 0.000 0.219 564 A C 2.256 179.908 177.584 0.114 0.000 1.169 564 A CA 1.050 53.166 52.037 0.133 0.000 0.635 564 A CB -0.763 18.375 19.000 0.231 0.000 0.810 564 A HN 0.522 nan 8.150 nan 0.000 0.446 565 I N -0.371 120.257 120.570 0.097 0.000 2.226 565 I HA -0.282 3.888 4.170 0.001 0.000 0.245 565 I C 2.946 179.098 176.117 0.059 0.000 1.100 565 I CA 1.040 62.382 61.300 0.071 0.000 1.374 565 I CB -0.262 37.770 38.000 0.052 0.000 1.057 565 I HN 0.368 nan 8.210 nan 0.000 0.413 566 A N 0.955 123.805 122.820 0.050 0.000 1.873 566 A HA -0.194 4.127 4.320 0.001 0.000 0.215 566 A C 2.050 179.652 177.584 0.031 0.000 1.186 566 A CA 1.815 53.872 52.037 0.033 0.000 0.616 566 A CB -0.654 18.361 19.000 0.024 0.000 0.823 566 A HN 0.384 nan 8.150 nan 0.000 0.442 567 N N 0.039 118.762 118.700 0.039 0.000 2.104 567 N HA -0.113 4.628 4.740 0.001 0.000 0.190 567 N C 1.726 177.265 175.510 0.048 0.000 1.024 567 N CA 1.988 55.056 53.050 0.030 0.000 0.853 567 N CB -0.974 37.536 38.487 0.039 0.000 1.008 567 N HN 0.507 nan 8.380 nan 0.000 0.424 568 T N 1.464 116.083 114.554 0.108 0.000 2.708 568 T HA -0.065 4.286 4.350 0.001 0.000 0.266 568 T C 1.838 176.633 174.700 0.158 0.000 1.037 568 T CA 1.146 63.366 62.100 0.201 0.000 1.146 568 T CB -0.076 68.902 68.868 0.184 0.000 0.865 568 T HN 0.303 nan 8.240 nan 0.000 0.435 569 K N 0.625 121.077 120.400 0.086 0.000 2.097 569 K HA -0.044 4.277 4.320 0.001 0.000 0.206 569 K C 2.555 179.163 176.600 0.015 0.000 1.049 569 K CA 0.928 57.248 56.287 0.055 0.000 0.933 569 K CB -0.127 32.394 32.500 0.035 0.000 0.717 569 K HN 0.171 nan 8.250 nan 0.000 0.442 570 R N 1.577 122.071 120.500 -0.011 0.000 2.075 570 R HA -0.114 4.226 4.340 0.001 0.000 0.232 570 R C 1.818 178.049 176.300 -0.116 0.000 1.126 570 R CA 1.555 57.626 56.100 -0.048 0.000 0.963 570 R CB 0.137 30.411 30.300 -0.044 0.000 0.858 570 R HN 0.067 nan 8.270 nan 0.000 0.435 571 K N -1.155 119.123 120.400 -0.204 0.000 2.076 571 K HA -0.097 4.224 4.320 0.001 0.000 0.204 571 K C 1.293 177.519 176.600 -0.623 0.000 1.051 571 K CA 1.301 57.295 56.287 -0.489 0.000 0.949 571 K CB 0.166 32.194 32.500 -0.787 0.000 0.726 571 K HN 0.297 nan 8.250 nan 0.000 0.443 572 Y N -1.359 118.930 120.300 -0.020 0.000 2.445 572 Y HA 0.231 4.782 4.550 0.002 0.000 0.247 572 Y C 1.340 177.222 175.900 -0.030 0.000 1.129 572 Y CA 0.045 58.125 58.100 -0.034 0.000 1.251 572 Y CB 1.448 39.881 38.460 -0.044 0.000 1.176 572 Y HN 0.213 nan 8.280 nan 0.000 0.522 573 G N 0.424 109.271 108.800 0.077 0.000 2.195 573 G HA2 -0.030 3.931 3.960 0.001 0.000 0.246 573 G HA3 -0.030 3.931 3.960 0.001 0.000 0.246 573 G C 0.125 175.053 174.900 0.047 0.000 0.984 573 G CA -0.018 45.109 45.100 0.044 0.000 0.633 573 G HN 0.830 nan 8.290 nan 0.000 0.525 574 A N -1.091 121.772 122.820 0.071 0.000 2.586 574 A HA 0.714 5.034 4.320 0.001 0.000 0.291 574 A C 0.676 178.292 177.584 0.052 0.000 1.062 574 A CA 0.006 52.069 52.037 0.044 0.000 0.666 574 A CB -0.058 18.955 19.000 0.022 0.000 1.281 574 A HN 1.427 nan 8.150 nan 0.000 0.421 575 I N -1.954 118.631 120.570 0.026 0.000 3.578 575 I HA 0.223 4.394 4.170 0.001 0.000 0.295 575 I C 0.344 176.446 176.117 -0.025 0.000 1.280 575 I CA 1.072 62.382 61.300 0.016 0.000 1.347 575 I CB 0.056 38.062 38.000 0.010 0.000 1.051 575 I HN 0.465 nan 8.210 nan 0.000 0.460 576 D N 1.536 121.917 120.400 -0.033 0.000 2.819 576 D HA 0.103 4.744 4.640 0.001 0.000 0.326 576 D C 0.270 176.530 176.300 -0.066 0.000 1.408 576 D CA -0.416 53.546 54.000 -0.063 0.000 0.811 576 D CB -0.100 40.668 40.800 -0.053 0.000 1.148 576 D HN 0.319 nan 8.370 nan 0.000 0.457 577 R N 1.276 121.733 120.500 -0.071 0.000 2.438 577 R HA 0.310 4.651 4.340 0.001 0.000 0.287 577 R C -2.415 173.817 176.300 -0.113 0.000 1.077 577 R CA -1.117 54.936 56.100 -0.079 0.000 1.034 577 R CB 0.471 30.729 30.300 -0.069 0.000 0.993 577 R HN -0.132 nan 8.270 nan 0.000 0.459 578 P HA -0.071 nan 4.420 nan 0.000 0.264 578 P C -0.156 177.090 177.300 -0.091 0.000 1.193 578 P CA 0.132 63.192 63.100 -0.066 0.000 0.763 578 P CB 0.271 31.943 31.700 -0.047 0.000 0.810 579 F N 4.118 123.934 119.950 -0.224 0.000 2.063 579 F HA -0.209 4.318 4.527 0.001 0.000 0.298 579 F C 2.174 177.782 175.800 -0.321 0.000 1.109 579 F CA 2.675 60.505 58.000 -0.285 0.000 1.212 579 F CB -0.901 37.988 39.000 -0.185 0.000 0.973 579 F HN 0.398 nan 8.300 nan 0.000 0.480 580 G N -1.001 107.761 108.800 -0.063 0.000 2.679 580 G HA2 -0.219 3.742 3.960 0.001 0.000 0.212 580 G HA3 -0.219 3.742 3.960 0.001 0.000 0.212 580 G C 1.402 176.182 174.900 -0.199 0.000 1.137 580 G CA 0.759 45.760 45.100 -0.167 0.000 0.787 580 G HN 0.503 nan 8.290 nan 0.000 0.534 581 D N 0.501 120.792 120.400 -0.182 0.000 2.213 581 D HA 0.085 4.726 4.640 0.001 0.000 0.205 581 D C 2.457 178.651 176.300 -0.178 0.000 0.961 581 D CA 0.885 54.801 54.000 -0.140 0.000 0.853 581 D CB 0.218 40.960 40.800 -0.095 0.000 0.967 581 D HN 0.255 nan 8.370 nan 0.000 0.496 582 A N 0.132 122.782 122.820 -0.282 0.000 1.956 582 A HA 0.137 4.458 4.320 0.001 0.000 0.212 582 A C 1.260 178.596 177.584 -0.413 0.000 1.188 582 A CA 0.144 52.021 52.037 -0.267 0.000 0.675 582 A CB 0.114 18.927 19.000 -0.312 0.000 0.845 582 A HN 0.118 nan 8.150 nan 0.000 0.455 583 S N 2.045 117.283 115.700 -0.769 0.000 2.400 583 S HA 0.512 4.983 4.470 0.001 0.000 0.295 583 S C 0.003 174.213 174.600 -0.649 0.000 1.113 583 S CA -0.526 56.955 58.200 -1.198 0.000 1.064 583 S CB 0.248 62.020 63.200 -2.380 0.000 0.990 583 S HN 0.392 nan 8.310 nan 0.000 0.502 587 L N 6.303 127.576 121.223 0.083 0.000 2.439 587 L HA 0.587 4.928 4.340 0.001 0.000 0.270 587 L C 0.242 177.177 176.870 0.109 0.000 0.972 587 L CA -0.530 54.353 54.840 0.071 0.000 0.836 587 L CB 1.744 43.700 42.059 -0.172 0.000 1.255 587 L HN 0.723 nan 8.230 nan 0.000 0.404 588 N N 2.132 120.951 118.700 0.198 0.000 1.188 588 N HA -0.287 4.454 4.740 0.001 0.000 0.128 588 N C 0.517 176.081 175.510 0.090 0.000 0.759 588 N CA 2.001 55.141 53.050 0.151 0.000 0.905 588 N CB -0.546 38.037 38.487 0.160 0.000 1.156 588 N HN 0.966 nan 8.380 nan 0.000 0.553 589 D N 1.269 121.709 120.400 0.066 0.000 2.328 589 D HA 0.118 4.759 4.640 0.001 0.000 0.221 589 D C 0.071 176.393 176.300 0.036 0.000 1.072 589 D CA 0.144 54.171 54.000 0.045 0.000 0.850 589 D CB -0.235 40.586 40.800 0.034 0.000 0.922 589 D HN 0.224 nan 8.370 nan 0.000 0.516 590 V N 1.687 121.623 119.914 0.037 0.000 2.432 590 V HA 0.261 4.382 4.120 0.001 0.000 0.275 590 V C 0.095 176.208 176.094 0.030 0.000 1.043 590 V CA -0.702 61.612 62.300 0.024 0.000 0.925 590 V CB 1.059 32.888 31.823 0.010 0.000 0.985 590 V HN 0.167 nan 8.190 nan 0.000 0.466 591 N N 4.291 123.005 118.700 0.023 0.000 2.577 591 N HA 0.465 5.206 4.740 0.001 0.000 0.275 591 N C -1.092 174.426 175.510 0.013 0.000 1.091 591 N CA -0.227 52.838 53.050 0.025 0.000 0.843 591 N CB 1.987 40.486 38.487 0.021 0.000 1.295 591 N HN 0.553 nan 8.380 nan 0.000 0.530 592 V N 1.478 121.401 119.914 0.015 0.000 2.960 592 V HA 0.812 4.933 4.120 0.001 0.000 0.315 592 V C -2.458 173.632 176.094 -0.005 0.000 1.087 592 V CA -2.135 60.167 62.300 0.003 0.000 0.982 592 V CB 1.848 33.671 31.823 -0.000 0.000 1.039 592 V HN 0.408 nan 8.190 nan 0.000 0.437 593 P HA 0.287 nan 4.420 nan 0.000 0.271 593 P C 0.126 177.413 177.300 -0.023 0.000 1.216 593 P CA 0.589 63.667 63.100 -0.036 0.000 0.771 593 P CB 1.093 32.779 31.700 -0.023 0.000 0.864 594 G N 1.327 110.093 108.800 -0.057 0.000 2.462 594 G HA2 0.637 4.598 3.960 0.001 0.000 0.319 594 G HA3 0.637 4.598 3.960 0.001 0.000 0.319 594 G C -1.081 173.904 174.900 0.141 0.000 1.171 594 G CA -0.452 44.675 45.100 0.046 0.000 0.920 594 G HN 0.733 nan 8.290 nan 0.000 0.499 595 A N -0.764 122.221 122.820 0.276 0.000 2.593 595 A HA 1.048 5.369 4.320 0.001 0.000 0.290 595 A C 0.262 178.182 177.584 0.559 0.000 1.126 595 A CA 0.395 52.682 52.037 0.416 0.000 0.695 595 A CB 0.897 20.073 19.000 0.292 0.000 1.290 595 A HN 2.827 nan 8.150 nan 0.000 0.414 596 A N -1.657 121.486 122.820 0.538 0.000 6.702 596 A HA 0.456 4.777 4.320 0.001 0.000 0.279 596 A C 1.094 178.989 177.584 0.518 0.000 2.141 596 A CA 1.237 53.620 52.037 0.578 0.000 0.658 596 A CB -1.854 17.562 19.000 0.694 0.000 1.332 596 A HN 3.132 nan 8.150 nan 0.000 0.388 597 G N -2.428 106.498 108.800 0.211 0.000 2.562 597 G HA2 0.600 4.560 3.960 0.001 0.000 0.190 597 G HA3 0.600 4.560 3.960 0.001 0.000 0.190 597 G C -0.688 174.068 174.900 -0.240 0.000 1.196 597 G CA -0.019 45.058 45.100 -0.037 0.000 0.986 597 G HN 1.495 nan 8.290 nan 0.000 0.512 598 Y N 1.860 122.093 120.300 -0.111 0.000 2.544 598 Y HA 0.310 4.861 4.550 0.002 0.000 0.330 598 Y C 1.864 177.759 175.900 -0.008 0.000 1.136 598 Y CA 0.666 58.741 58.100 -0.041 0.000 1.417 598 Y CB 1.285 39.715 38.460 -0.051 0.000 1.229 598 Y HN 0.570 nan 8.280 nan 0.000 0.532 599 G N 2.524 111.430 108.800 0.176 0.000 2.422 599 G HA2 -0.284 3.677 3.960 0.001 0.000 0.218 599 G HA3 -0.284 3.677 3.960 0.001 0.000 0.218 599 G C 1.359 176.385 174.900 0.210 0.000 1.146 599 G CA 0.671 45.863 45.100 0.153 0.000 0.769 599 G HN 0.567 nan 8.290 nan 0.000 0.547 600 N N 0.221 119.068 118.700 0.245 0.000 2.573 600 N HA 0.045 4.786 4.740 0.001 0.000 0.187 600 N C 1.757 177.418 175.510 0.252 0.000 1.107 600 N CA 0.310 53.513 53.050 0.255 0.000 0.918 600 N CB 0.008 38.683 38.487 0.313 0.000 0.966 600 N HN 0.316 nan 8.380 nan 0.000 0.448 601 L N -1.389 119.961 121.223 0.212 0.000 2.607 601 L HA 0.239 4.580 4.340 0.001 0.000 0.228 601 L C 1.251 178.346 176.870 0.375 0.000 1.123 601 L CA 0.227 55.239 54.840 0.285 0.000 0.890 601 L CB 0.124 42.353 42.059 0.284 0.000 1.103 601 L HN 0.208 nan 8.230 nan 0.000 0.468 602 G N -0.693 108.295 108.800 0.315 0.000 2.211 602 G HA2 -0.252 3.709 3.960 0.001 0.000 0.201 602 G HA3 -0.252 3.709 3.960 0.001 0.000 0.201 602 G C 0.418 175.511 174.900 0.322 0.000 0.997 602 G CA 0.151 45.428 45.100 0.295 0.000 0.652 602 G HN 0.218 nan 8.290 nan 0.000 0.500 603 S N 0.252 116.168 115.700 0.359 0.000 2.481 603 S HA 0.453 4.924 4.470 0.001 0.000 0.282 603 S C 1.173 175.936 174.600 0.272 0.000 1.243 603 S CA 0.219 58.633 58.200 0.357 0.000 1.078 603 S CB 0.136 63.511 63.200 0.291 0.000 0.916 603 S HN 0.605 nan 8.310 nan 0.000 0.495 604 F N 5.563 125.600 119.950 0.145 0.000 2.098 604 F HA 0.173 4.701 4.527 0.001 0.000 0.294 604 F C 1.486 177.303 175.800 0.028 0.000 1.107 604 F CA 1.065 59.108 58.000 0.073 0.000 1.234 604 F CB -0.059 38.968 39.000 0.046 0.000 1.002 604 F HN 0.528 nan 8.300 nan 0.000 0.472 605 R N 1.272 121.825 120.500 0.089 0.000 2.347 605 R HA 0.361 4.701 4.340 0.001 0.000 0.304 605 R C -1.464 174.733 176.300 -0.172 0.000 1.072 605 R CA -0.142 55.925 56.100 -0.054 0.000 0.980 605 R CB 0.536 30.946 30.300 0.182 0.000 0.986 605 R HN 0.020 nan 8.270 nan 0.000 0.448 606 V N 6.251 125.838 119.914 -0.545 0.000 2.513 606 V HA 0.472 4.593 4.120 0.001 0.000 0.299 606 V C -0.811 174.645 176.094 -1.063 0.000 1.035 606 V CA -0.492 61.400 62.300 -0.680 0.000 0.889 606 V CB 1.539 32.861 31.823 -0.835 0.000 0.988 606 V HN 0.634 nan 8.190 nan 0.000 0.440 607 F N 1.395 121.031 119.950 -0.524 0.000 2.745 607 F HA 0.316 4.844 4.527 0.001 0.000 0.343 607 F C 0.486 175.625 175.800 -1.101 0.000 1.196 607 F CA -0.476 56.989 58.000 -0.892 0.000 1.021 607 F CB 1.974 40.290 39.000 -1.141 0.000 1.297 607 F HN 0.322 nan 8.300 nan 0.000 0.486 608 T N 2.520 116.694 114.554 -0.633 0.000 2.992 608 T HA 0.063 4.414 4.350 0.001 0.000 0.299 608 T C -0.281 174.172 174.700 -0.411 0.000 1.027 608 T CA -0.352 61.520 62.100 -0.381 0.000 1.001 608 T CB -0.480 68.391 68.868 0.006 0.000 1.005 608 T HN 0.302 nan 8.240 nan 0.000 0.599 609 W N 3.094 124.199 121.300 -0.325 0.000 2.223 609 W HA 0.255 4.916 4.660 0.001 0.000 0.334 609 W C 1.299 177.855 176.519 0.062 0.000 1.334 609 W CA -0.728 56.526 57.345 -0.152 0.000 1.246 609 W CB 0.155 29.491 29.460 -0.207 0.000 1.184 609 W HN 0.549 nan 8.180 nan 0.000 0.563 610 S N 1.631 117.475 115.700 0.240 0.000 2.617 610 S HA 0.169 4.640 4.470 0.001 0.000 0.259 610 S C 0.028 174.749 174.600 0.202 0.000 1.301 610 S CA -0.968 57.336 58.200 0.173 0.000 0.984 610 S CB 0.693 63.956 63.200 0.106 0.000 0.954 610 S HN 0.434 nan 8.310 nan 0.000 0.572 611 D N 2.595 123.072 120.400 0.127 0.000 2.362 611 D HA 0.317 4.958 4.640 0.001 0.000 0.242 611 D C -1.951 174.385 176.300 0.060 0.000 1.132 611 D CA -0.795 53.258 54.000 0.088 0.000 0.907 611 D CB 0.342 41.161 40.800 0.032 0.000 1.195 611 D HN 0.447 nan 8.370 nan 0.000 0.429 612 P HA 0.069 nan 4.420 nan 0.000 0.274 612 P C -0.434 176.839 177.300 -0.045 0.000 1.237 612 P CA -0.436 62.649 63.100 -0.027 0.000 0.793 612 P CB 0.913 32.516 31.700 -0.163 0.000 0.977 613 D N -0.088 120.298 120.400 -0.023 0.000 2.425 613 D HA -0.024 4.617 4.640 0.001 0.000 0.274 613 D C 1.273 177.546 176.300 -0.044 0.000 1.242 613 D CA -0.367 53.619 54.000 -0.023 0.000 1.060 613 D CB -0.270 40.528 40.800 -0.002 0.000 1.112 613 D HN 0.527 nan 8.370 nan 0.000 0.561 614 E N -0.997 119.183 120.200 -0.032 0.000 2.267 614 E HA -0.222 4.129 4.350 0.001 0.000 0.197 614 E C 0.457 177.035 176.600 -0.036 0.000 0.998 614 E CA 0.942 57.320 56.400 -0.037 0.000 0.830 614 E CB -0.441 29.245 29.700 -0.024 0.000 0.751 614 E HN 0.288 nan 8.360 nan 0.000 0.491 615 N N 0.204 118.889 118.700 -0.026 0.000 2.235 615 N HA 0.099 4.840 4.740 0.001 0.000 0.209 615 N C 0.673 176.179 175.510 -0.007 0.000 1.122 615 N CA 0.695 53.736 53.050 -0.015 0.000 0.845 615 N CB 1.373 39.856 38.487 -0.006 0.000 1.004 615 N HN 0.412 nan 8.380 nan 0.000 0.499 616 G N 0.841 109.623 108.800 -0.031 0.000 2.143 616 G HA2 -0.233 3.728 3.960 0.001 0.000 0.249 616 G HA3 -0.233 3.728 3.960 0.001 0.000 0.249 616 G C -0.041 174.909 174.900 0.082 0.000 0.981 616 G CA -0.255 44.848 45.100 0.004 0.000 0.665 616 G HN 0.224 nan 8.290 nan 0.000 0.528 617 I N 1.222 121.807 120.570 0.025 0.000 2.365 617 I HA 0.501 4.672 4.170 0.001 0.000 0.291 617 I C 0.906 177.042 176.117 0.031 0.000 1.004 617 I CA -0.412 60.896 61.300 0.014 0.000 1.311 617 I CB 0.993 38.996 38.000 0.005 0.000 1.401 617 I HN 0.519 nan 8.210 nan 0.000 0.491 618 R N 3.255 123.768 120.500 0.022 0.000 2.837 618 R HA 0.862 5.203 4.340 0.001 0.000 0.271 618 R C -0.847 175.559 176.300 0.176 0.000 0.993 618 R CA -0.737 55.419 56.100 0.094 0.000 0.931 618 R CB 2.093 32.470 30.300 0.128 0.000 1.206 618 R HN 0.622 nan 8.270 nan 0.000 0.474 619 T N -1.940 112.761 114.554 0.245 0.000 2.865 619 T HA 0.557 4.908 4.350 0.001 0.000 0.294 619 T C -2.902 171.813 174.700 0.025 0.000 1.119 619 T CA -2.493 59.757 62.100 0.249 0.000 1.007 619 T CB 2.048 70.997 68.868 0.136 0.000 1.225 619 T HN 0.368 nan 8.240 nan 0.000 0.515 620 P HA 0.292 nan 4.420 nan 0.000 0.271 620 P C 0.229 177.106 177.300 -0.705 0.000 1.220 620 P CA -0.302 62.233 63.100 -0.943 0.000 0.768 620 P CB 0.955 31.618 31.700 -1.728 0.000 0.848 621 V N 2.400 122.025 119.914 -0.482 0.000 3.621 621 V HA 0.141 4.262 4.120 0.001 0.000 0.263 621 V C 0.326 176.337 176.094 -0.138 0.000 1.272 621 V CA 0.839 63.025 62.300 -0.192 0.000 1.080 621 V CB -0.592 31.206 31.823 -0.040 0.000 0.816 621 V HN 0.756 nan 8.190 nan 0.000 0.451 622 H N -2.473 116.294 119.070 -0.506 0.000 2.987 622 H HA 0.600 5.157 4.556 0.002 0.000 0.316 622 H C -0.261 174.811 175.328 -0.427 0.000 1.380 622 H CA 0.111 55.993 56.048 -0.276 0.000 1.160 622 H CB 1.458 31.176 29.762 -0.073 0.000 1.865 622 H HN 0.208 nan 8.280 nan 0.000 0.521 623 G N 1.238 109.585 108.800 -0.755 0.000 2.240 623 G HA2 -0.007 3.954 3.960 0.001 0.000 0.199 623 G HA3 -0.007 3.954 3.960 0.001 0.000 0.199 623 G C -1.236 173.455 174.900 -0.348 0.000 1.342 623 G CA -0.487 44.156 45.100 -0.762 0.000 1.145 623 G HN 0.676 nan 8.290 nan 0.000 0.477 624 E N 1.486 121.373 120.200 -0.522 0.000 2.529 624 E HA 0.299 4.649 4.350 0.001 0.000 0.259 624 E C 1.125 177.705 176.600 -0.033 0.000 0.966 624 E CA 1.177 57.430 56.400 -0.244 0.000 0.937 624 E CB 1.088 30.525 29.700 -0.439 0.000 0.923 624 E HN 0.860 nan 8.360 nan 0.000 0.468 625 T N -0.498 113.970 114.554 -0.144 0.000 3.212 625 T HA 0.074 4.425 4.350 0.001 0.000 0.157 625 T C 0.225 174.755 174.700 -0.284 0.000 0.908 625 T CA -0.652 61.232 62.100 -0.360 0.000 0.954 625 T CB 0.031 68.849 68.868 -0.083 0.000 1.709 625 T HN 0.589 nan 8.240 nan 0.000 0.335 626 W N 3.259 124.301 121.300 -0.430 0.000 2.338 626 W HA 0.603 5.264 4.660 0.001 0.000 0.307 626 W C -1.941 174.404 176.519 -0.290 0.000 1.167 626 W CA -0.762 56.346 57.345 -0.396 0.000 1.208 626 W CB 1.148 30.258 29.460 -0.584 0.000 1.228 626 W HN 0.291 nan 8.180 nan 0.000 0.499 627 V N 6.256 125.688 119.914 -0.804 0.000 2.577 627 V HA 0.779 4.900 4.120 0.001 0.000 0.303 627 V C -0.030 175.616 176.094 -0.746 0.000 1.042 627 V CA -0.656 61.292 62.300 -0.587 0.000 0.872 627 V CB 0.637 32.407 31.823 -0.088 0.000 0.998 627 V HN 0.724 nan 8.190 nan 0.000 0.423 631 E N 4.959 124.858 120.200 -0.502 0.000 2.145 631 E HA 0.481 4.832 4.350 0.001 0.000 0.270 631 E C -1.140 175.190 176.600 -0.451 0.000 0.906 631 E CA -0.589 55.590 56.400 -0.367 0.000 0.761 631 E CB 0.834 30.409 29.700 -0.208 0.000 1.116 631 E HN 0.470 nan 8.360 nan 0.000 0.408 632 F N 3.856 123.724 119.950 -0.137 0.000 2.705 632 F HA 0.095 4.622 4.527 0.001 0.000 0.355 632 F C 0.839 176.596 175.800 -0.073 0.000 1.172 632 F CA -0.300 57.640 58.000 -0.099 0.000 1.332 632 F CB -0.178 38.760 39.000 -0.104 0.000 1.621 632 F HN 0.291 nan 8.300 nan 0.000 0.605 633 S N -1.316 114.381 115.700 -0.004 0.000 2.646 633 S HA 0.524 4.995 4.470 0.001 0.000 0.273 633 S C 0.178 174.788 174.600 0.017 0.000 1.168 633 S CA -0.752 57.448 58.200 0.001 0.000 1.013 633 S CB 1.104 64.284 63.200 -0.034 0.000 1.098 633 S HN 0.141 nan 8.310 nan 0.000 0.544 634 T N 2.754 117.315 114.554 0.012 0.000 2.934 634 T HA 0.514 4.865 4.350 0.001 0.000 0.328 634 T C -2.160 172.543 174.700 0.006 0.000 1.068 634 T CA -0.819 61.293 62.100 0.019 0.000 1.018 634 T CB 0.827 69.711 68.868 0.027 0.000 1.009 634 T HN 0.660 nan 8.240 nan 0.000 0.471 635 P HA 0.424 nan 4.420 nan 0.000 0.274 635 P C 0.155 177.437 177.300 -0.029 0.000 1.256 635 P CA -0.616 62.483 63.100 -0.001 0.000 0.795 635 P CB 0.521 32.218 31.700 -0.006 0.000 1.038 636 V N -1.585 118.306 119.914 -0.038 0.000 3.185 636 V HA 0.376 4.497 4.120 0.001 0.000 0.305 636 V C 0.357 176.348 176.094 -0.172 0.000 1.090 636 V CA -0.482 61.740 62.300 -0.129 0.000 1.107 636 V CB 0.211 31.928 31.823 -0.178 0.000 1.061 636 V HN 0.627 nan 8.190 nan 0.000 0.480 637 R N 1.679 122.028 120.500 -0.251 0.000 2.532 637 R HA 0.752 5.092 4.340 0.001 0.000 0.297 637 R C -0.938 175.146 176.300 -0.359 0.000 0.984 637 R CA -0.106 55.841 56.100 -0.255 0.000 0.884 637 R CB 1.837 32.051 30.300 -0.144 0.000 1.182 637 R HN 1.216 nan 8.270 nan 0.000 0.442 638 A N 3.647 126.191 122.820 -0.459 0.000 2.515 638 A HA 0.683 5.003 4.320 0.001 0.000 0.298 638 A C -2.004 175.257 177.584 -0.538 0.000 1.059 638 A CA -0.528 51.228 52.037 -0.467 0.000 0.698 638 A CB 1.311 19.935 19.000 -0.628 0.000 1.289 638 A HN 0.652 nan 8.150 nan 0.000 0.404 639 Y N -0.172 120.058 120.300 -0.117 0.000 2.545 639 Y HA 0.736 5.286 4.550 0.001 0.000 0.348 639 Y C 0.746 176.699 175.900 0.088 0.000 1.002 639 Y CA 0.142 58.256 58.100 0.024 0.000 1.039 639 Y CB 2.973 41.464 38.460 0.052 0.000 1.271 639 Y HN 1.164 nan 8.280 nan 0.000 0.467 640 G N 1.463 110.457 108.800 0.323 0.000 2.559 640 G HA2 0.726 4.687 3.960 0.001 0.000 0.291 640 G HA3 0.726 4.687 3.960 0.001 0.000 0.291 640 G C -2.181 172.600 174.900 -0.198 0.000 1.424 640 G CA -0.733 44.393 45.100 0.043 0.000 0.786 640 G HN 0.564 nan 8.290 nan 0.000 0.485 644 Y N 2.577 122.536 120.300 -0.570 0.000 2.645 644 Y HA 0.649 5.200 4.550 0.002 0.000 0.307 644 Y C 0.927 176.665 175.900 -0.269 0.000 1.151 644 Y CA -0.934 56.849 58.100 -0.528 0.000 1.291 644 Y CB -0.891 37.274 38.460 -0.492 0.000 1.135 644 Y HN 0.502 nan 8.280 nan 0.000 0.523 645 G N 1.503 110.312 108.800 0.015 0.000 2.796 645 G HA2 -0.362 3.599 3.960 0.001 0.000 0.226 645 G HA3 -0.362 3.599 3.960 0.001 0.000 0.226 645 G C -0.043 174.996 174.900 0.231 0.000 1.381 645 G CA 0.048 45.221 45.100 0.120 0.000 0.867 645 G HN 0.445 nan 8.290 nan 0.000 0.552 646 N N -0.303 118.519 118.700 0.204 0.000 2.235 646 N HA 0.433 5.174 4.740 0.001 0.000 0.209 646 N C 0.067 175.763 175.510 0.309 0.000 1.122 646 N CA 1.080 54.257 53.050 0.210 0.000 0.845 646 N CB 0.414 38.920 38.487 0.032 0.000 1.004 646 N HN 0.892 nan 8.380 nan 0.000 0.499 647 S N -1.020 114.851 115.700 0.285 0.000 2.537 647 S HA 0.468 4.939 4.470 0.001 0.000 0.271 647 S C -0.484 174.209 174.600 0.155 0.000 1.148 647 S CA -0.635 57.687 58.200 0.204 0.000 0.868 647 S CB 0.876 64.202 63.200 0.209 0.000 1.115 647 S HN 0.196 nan 8.310 nan 0.000 0.461 648 R N 1.044 121.544 120.500 -0.001 0.000 2.566 648 R HA 0.231 4.572 4.340 0.001 0.000 0.388 648 R C -0.382 175.812 176.300 -0.176 0.000 0.989 648 R CA -0.452 55.545 56.100 -0.172 0.000 1.164 648 R CB 0.655 30.823 30.300 -0.219 0.000 1.459 648 R HN 0.541 nan 8.270 nan 0.000 0.553 649 Q N 1.751 121.496 119.800 -0.092 0.000 2.337 649 Q HA 0.165 4.505 4.340 0.001 0.000 0.270 649 Q C -2.299 173.648 176.000 -0.089 0.000 1.002 649 Q CA -1.727 54.026 55.803 -0.083 0.000 0.888 649 Q CB 0.554 29.265 28.738 -0.046 0.000 1.222 649 Q HN -0.058 nan 8.270 nan 0.000 0.400 650 P HA -0.062 nan 4.420 nan 0.000 0.261 650 P C 0.605 177.874 177.300 -0.053 0.000 1.173 650 P CA 1.192 64.243 63.100 -0.081 0.000 0.760 650 P CB 0.319 31.980 31.700 -0.066 0.000 0.783 651 G N 1.472 110.244 108.800 -0.047 0.000 2.179 651 G HA2 -0.265 3.696 3.960 0.001 0.000 0.260 651 G HA3 -0.265 3.696 3.960 0.001 0.000 0.260 651 G C 0.574 175.459 174.900 -0.024 0.000 0.977 651 G CA 0.336 45.419 45.100 -0.028 0.000 0.641 651 G HN 0.787 nan 8.290 nan 0.000 0.533 652 T N 0.734 115.277 114.554 -0.019 0.000 2.926 652 T HA 0.442 4.793 4.350 0.001 0.000 0.307 652 T C 1.896 176.572 174.700 -0.039 0.000 1.059 652 T CA 1.486 63.581 62.100 -0.009 0.000 1.122 652 T CB 0.675 69.576 68.868 0.054 0.000 0.972 652 T HN 0.924 nan 8.240 nan 0.000 0.545 653 T N 0.873 115.316 114.554 -0.185 0.000 3.122 653 T HA 0.160 4.511 4.350 0.001 0.000 0.250 653 T C 0.630 175.149 174.700 -0.302 0.000 1.067 653 T CA 0.038 61.990 62.100 -0.248 0.000 0.966 653 T CB -0.164 68.504 68.868 -0.333 0.000 1.002 653 T HN 0.722 nan 8.240 nan 0.000 0.542 654 H N -0.115 119.018 119.070 0.105 0.000 2.472 654 H HA 0.305 4.862 4.556 0.001 0.000 0.287 654 H C 0.030 175.462 175.328 0.174 0.000 1.112 654 H CA -0.656 55.459 56.048 0.112 0.000 1.021 654 H CB 0.125 29.947 29.762 0.101 0.000 1.635 654 H HN 0.424 nan 8.280 nan 0.000 0.559 655 Y N 1.637 121.997 120.300 0.100 0.000 2.472 655 Y HA 0.017 4.567 4.550 0.001 0.000 0.288 655 Y C 1.927 177.869 175.900 0.069 0.000 1.154 655 Y CA 1.036 59.185 58.100 0.082 0.000 1.238 655 Y CB 0.439 38.926 38.460 0.045 0.000 1.287 655 Y HN 0.084 nan 8.280 nan 0.000 0.524 656 S N -0.344 115.335 115.700 -0.035 0.000 2.572 656 S HA 0.073 4.544 4.470 0.001 0.000 0.228 656 S C 0.579 175.151 174.600 -0.047 0.000 0.963 656 S CA 0.118 58.238 58.200 -0.133 0.000 0.939 656 S CB -0.427 62.748 63.200 -0.042 0.000 0.804 656 S HN 0.577 nan 8.310 nan 0.000 0.480 657 D N 1.050 121.452 120.400 0.003 0.000 2.328 657 D HA 0.015 4.656 4.640 0.001 0.000 0.226 657 D C 1.132 177.434 176.300 0.003 0.000 1.066 657 D CA 0.175 54.189 54.000 0.024 0.000 0.861 657 D CB -0.112 40.738 40.800 0.082 0.000 0.912 657 D HN 0.543 nan 8.370 nan 0.000 0.521 658 Q N -0.845 118.930 119.800 -0.042 0.000 2.210 658 Q HA 0.197 4.538 4.340 0.001 0.000 0.252 658 Q C 1.535 177.472 176.000 -0.105 0.000 0.811 658 Q CA -0.329 55.431 55.803 -0.072 0.000 0.953 658 Q CB 0.522 29.207 28.738 -0.088 0.000 1.136 658 Q HN 0.091 nan 8.270 nan 0.000 0.491 659 I N 2.079 122.585 120.570 -0.107 0.000 2.361 659 I HA -0.245 3.926 4.170 0.001 0.000 0.251 659 I C 2.278 178.363 176.117 -0.053 0.000 1.133 659 I CA 1.499 62.746 61.300 -0.088 0.000 1.413 659 I CB 0.051 38.007 38.000 -0.074 0.000 1.073 659 I HN 0.153 nan 8.210 nan 0.000 0.424 660 E N 0.863 121.037 120.200 -0.044 0.000 2.106 660 E HA -0.216 4.135 4.350 0.001 0.000 0.192 660 E C 2.343 178.918 176.600 -0.041 0.000 0.984 660 E CA 1.184 57.566 56.400 -0.030 0.000 0.806 660 E CB -0.081 29.608 29.700 -0.018 0.000 0.750 660 E HN 0.508 nan 8.360 nan 0.000 0.458 661 R N -0.078 120.387 120.500 -0.058 0.000 2.092 661 R HA -0.051 4.290 4.340 0.001 0.000 0.231 661 R C 2.532 178.767 176.300 -0.107 0.000 1.119 661 R CA 1.103 57.159 56.100 -0.073 0.000 0.970 661 R CB -0.203 30.044 30.300 -0.087 0.000 0.864 661 R HN 0.055 nan 8.270 nan 0.000 0.440 662 V N 1.273 121.113 119.914 -0.123 0.000 2.343 662 V HA -0.255 3.866 4.120 0.001 0.000 0.247 662 V C 2.406 178.467 176.094 -0.054 0.000 1.051 662 V CA 2.189 64.423 62.300 -0.109 0.000 1.036 662 V CB -0.515 31.275 31.823 -0.055 0.000 0.654 662 V HN 0.464 nan 8.190 nan 0.000 0.451 663 S N 0.102 115.772 115.700 -0.049 0.000 2.469 663 S HA -0.139 4.332 4.470 0.001 0.000 0.238 663 S C 1.803 176.380 174.600 -0.038 0.000 0.998 663 S CA 1.104 59.279 58.200 -0.042 0.000 0.957 663 S CB -0.309 62.874 63.200 -0.029 0.000 0.764 663 S HN 0.649 nan 8.310 nan 0.000 0.514 664 R N 0.222 120.691 120.500 -0.051 0.000 2.476 664 R HA 0.504 4.845 4.340 0.001 0.000 0.276 664 R C 0.751 176.993 176.300 -0.097 0.000 0.941 664 R CA 0.387 56.456 56.100 -0.052 0.000 1.088 664 R CB 0.317 30.601 30.300 -0.027 0.000 1.216 664 R HN 0.415 nan 8.270 nan 0.000 0.533 665 A N 2.089 124.830 122.820 -0.131 0.000 2.783 665 A HA -0.196 4.125 4.320 0.001 0.000 0.292 665 A C -0.185 177.456 177.584 0.094 0.000 1.495 665 A CA 1.113 53.047 52.037 -0.172 0.000 0.787 665 A CB -1.565 16.932 19.000 -0.838 0.000 1.017 665 A HN 0.374 nan 8.150 nan 0.000 0.516 666 D N -0.050 120.387 120.400 0.062 0.000 2.500 666 D HA 0.493 5.134 4.640 0.001 0.000 0.219 666 D C -0.268 176.109 176.300 0.128 0.000 1.137 666 D CA -0.167 53.896 54.000 0.105 0.000 0.946 666 D CB -0.332 40.487 40.800 0.032 0.000 1.022 666 D HN 0.208 nan 8.370 nan 0.000 0.518 667 F N 2.054 122.017 119.950 0.023 0.000 2.471 667 F HA 0.266 4.794 4.527 0.001 0.000 0.353 667 F C 1.659 177.555 175.800 0.160 0.000 1.113 667 F CA -0.205 57.842 58.000 0.078 0.000 1.262 667 F CB 0.689 39.752 39.000 0.105 0.000 1.146 667 F HN -0.013 nan 8.300 nan 0.000 0.578 668 R N 1.624 122.260 120.500 0.226 0.000 2.441 668 R HA 0.169 4.510 4.340 0.001 0.000 0.284 668 R C -0.105 176.341 176.300 0.243 0.000 1.070 668 R CA -0.678 55.540 56.100 0.196 0.000 1.047 668 R CB 0.742 31.099 30.300 0.094 0.000 1.016 668 R HN 0.624 nan 8.270 nan 0.000 0.477 669 E N 3.449 123.717 120.200 0.113 0.000 2.316 669 E HA 0.076 4.426 4.350 0.001 0.000 0.275 669 E C -0.678 175.807 176.600 -0.190 0.000 1.029 669 E CA -0.368 55.866 56.400 -0.278 0.000 0.871 669 E CB 0.680 30.207 29.700 -0.288 0.000 1.022 669 E HN 0.355 nan 8.360 nan 0.000 0.418 670 L N 5.664 126.723 121.223 -0.274 0.000 2.331 670 L HA 0.232 4.573 4.340 0.001 0.000 0.278 670 L C -0.170 176.503 176.870 -0.329 0.000 1.106 670 L CA -0.467 54.222 54.840 -0.250 0.000 0.824 670 L CB 0.476 42.372 42.059 -0.272 0.000 1.142 670 L HN 0.460 nan 8.230 nan 0.000 0.443 671 L N 5.184 126.246 121.223 -0.268 0.000 2.262 671 L HA 0.295 4.636 4.340 0.001 0.000 0.288 671 L C 0.768 177.480 176.870 -0.265 0.000 1.035 671 L CA -0.241 54.484 54.840 -0.192 0.000 0.820 671 L CB 1.040 43.067 42.059 -0.054 0.000 1.204 671 L HN 0.680 nan 8.230 nan 0.000 0.424 672 L N 1.784 122.853 121.223 -0.257 0.000 2.537 672 L HA 0.252 4.593 4.340 0.001 0.000 0.224 672 L C 1.029 177.917 176.870 0.031 0.000 1.065 672 L CA -0.004 54.688 54.840 -0.247 0.000 0.860 672 L CB -0.056 41.884 42.059 -0.199 0.000 1.086 672 L HN 0.611 nan 8.230 nan 0.000 0.482 673 R N 0.824 121.328 120.500 0.007 0.000 2.438 673 R HA 0.090 4.431 4.340 0.001 0.000 0.287 673 R C 0.921 177.259 176.300 0.063 0.000 1.077 673 R CA -0.342 55.783 56.100 0.043 0.000 1.034 673 R CB 1.185 31.493 30.300 0.012 0.000 0.993 673 R HN -0.057 nan 8.270 nan 0.000 0.459 674 R N 2.699 123.242 120.500 0.071 0.000 2.113 674 R HA -0.232 4.108 4.340 0.001 0.000 0.244 674 R C 1.149 177.476 176.300 0.045 0.000 1.142 674 R CA 2.112 58.249 56.100 0.062 0.000 0.953 674 R CB -0.116 30.209 30.300 0.042 0.000 0.860 674 R HN 0.711 nan 8.270 nan 0.000 0.438 675 E N -0.264 119.955 120.200 0.032 0.000 2.110 675 E HA -0.240 4.110 4.350 0.001 0.000 0.193 675 E C 2.141 178.755 176.600 0.023 0.000 0.988 675 E CA 1.508 57.923 56.400 0.024 0.000 0.804 675 E CB -0.067 29.643 29.700 0.017 0.000 0.745 675 E HN 0.571 nan 8.360 nan 0.000 0.458 676 Q N 0.178 119.990 119.800 0.020 0.000 2.079 676 Q HA -0.113 4.228 4.340 0.001 0.000 0.200 676 Q C 2.410 178.427 176.000 0.028 0.000 0.974 676 Q CA 1.196 57.007 55.803 0.013 0.000 0.840 676 Q CB 0.045 28.778 28.738 -0.008 0.000 0.898 676 Q HN 0.143 nan 8.270 nan 0.000 0.430 677 V N 1.433 121.375 119.914 0.047 0.000 2.295 677 V HA -0.258 3.863 4.120 0.001 0.000 0.246 677 V C 1.930 178.055 176.094 0.053 0.000 1.049 677 V CA 1.942 64.283 62.300 0.067 0.000 1.024 677 V CB -0.533 31.354 31.823 0.107 0.000 0.648 677 V HN 0.351 nan 8.190 nan 0.000 0.447 678 E N 0.193 120.419 120.200 0.044 0.000 2.153 678 E HA -0.174 4.177 4.350 0.001 0.000 0.194 678 E C 2.234 178.853 176.600 0.032 0.000 0.988 678 E CA 1.240 57.661 56.400 0.036 0.000 0.811 678 E CB -0.256 29.462 29.700 0.029 0.000 0.746 678 E HN 0.615 nan 8.360 nan 0.000 0.466 679 A N 0.756 123.594 122.820 0.030 0.000 2.067 679 A HA 0.119 4.440 4.320 0.001 0.000 0.217 679 A C 2.113 179.715 177.584 0.030 0.000 1.156 679 A CA 1.175 53.228 52.037 0.027 0.000 0.683 679 A CB 0.026 19.040 19.000 0.022 0.000 0.808 679 A HN 0.239 nan 8.150 nan 0.000 0.455 680 A N -0.914 121.927 122.820 0.034 0.000 2.303 680 A HA 0.445 4.765 4.320 0.001 0.000 0.217 680 A C 0.881 178.489 177.584 0.041 0.000 1.205 680 A CA 0.248 52.307 52.037 0.037 0.000 0.875 680 A CB -0.427 18.596 19.000 0.038 0.000 0.910 680 A HN 0.565 nan 8.150 nan 0.000 0.501 681 V N 0.805 120.744 119.914 0.042 0.000 2.599 681 V HA 0.035 4.156 4.120 0.001 0.000 0.300 681 V C 0.641 176.761 176.094 0.043 0.000 1.034 681 V CA 0.639 62.965 62.300 0.043 0.000 1.115 681 V CB 0.880 32.728 31.823 0.043 0.000 0.934 681 V HN 0.584 nan 8.190 nan 0.000 0.485 682 Q N 4.295 124.124 119.800 0.048 0.000 2.245 682 Q HA 0.325 4.666 4.340 0.001 0.000 0.236 682 Q C 0.213 176.247 176.000 0.056 0.000 0.842 682 Q CA 0.279 56.115 55.803 0.054 0.000 0.945 682 Q CB 1.045 29.824 28.738 0.069 0.000 1.122 682 Q HN 0.939 nan 8.270 nan 0.000 0.506 683 E N 0.181 120.413 120.200 0.053 0.000 2.347 683 E HA 0.360 4.710 4.350 0.001 0.000 0.285 683 E C -1.257 175.375 176.600 0.053 0.000 0.925 683 E CA -0.330 56.103 56.400 0.054 0.000 0.779 683 E CB 1.592 31.330 29.700 0.064 0.000 1.233 683 E HN -0.130 nan 8.360 nan 0.000 0.414 684 R N 2.374 122.905 120.500 0.052 0.000 2.343 684 R HA 0.417 4.758 4.340 0.001 0.000 0.320 684 R C -1.108 175.233 176.300 0.068 0.000 0.956 684 R CA -0.594 55.540 56.100 0.057 0.000 0.836 684 R CB 2.111 32.438 30.300 0.045 0.000 1.151 684 R HN 0.413 nan 8.270 nan 0.000 0.450 685 T N 5.411 120.020 114.554 0.093 0.000 2.963 685 T HA 0.268 4.619 4.350 0.001 0.000 0.343 685 T C -1.926 172.886 174.700 0.187 0.000 1.146 685 T CA -1.244 60.928 62.100 0.120 0.000 1.016 685 T CB 1.061 69.997 68.868 0.113 0.000 1.046 685 T HN 0.409 nan 8.240 nan 0.000 0.496 686 P HA 0.586 nan 4.420 nan 0.000 0.277 686 P C -0.926 176.495 177.300 0.202 0.000 1.240 686 P CA -0.500 62.656 63.100 0.093 0.000 0.798 686 P CB 0.691 32.406 31.700 0.025 0.000 0.979 687 F N -1.205 118.758 119.950 0.021 0.000 2.686 687 F HA 0.617 5.145 4.527 0.002 0.000 0.311 687 F C -1.437 174.392 175.800 0.048 0.000 1.128 687 F CA -1.041 56.979 58.000 0.033 0.000 0.946 687 F CB 1.483 40.501 39.000 0.031 0.000 1.336 687 F HN 0.074 nan 8.300 nan 0.000 0.457 688 N N 1.447 120.296 118.700 0.249 0.000 2.260 688 N HA 0.463 5.204 4.740 0.001 0.000 0.293 688 N C -1.980 173.724 175.510 0.323 0.000 1.058 688 N CA -0.254 52.891 53.050 0.157 0.000 0.824 688 N CB 2.756 41.279 38.487 0.061 0.000 1.551 688 N HN 0.696 nan 8.380 nan 0.000 0.475 689 F N 0.000 120.030 119.950 0.133 0.000 2.286 689 F HA 0.000 4.528 4.527 0.001 0.000 0.279 689 F CA 0.000 58.071 58.000 0.118 0.000 1.383 689 F CB 0.000 39.091 39.000 0.152 0.000 1.145 689 F HN 0.000 nan 8.300 nan 0.000 0.574