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 1jvz_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 0.000 174.386 174.600 -0.357 0.000 1.055 170 S CA 0.000 57.902 58.200 -0.497 0.000 1.107 170 S CB 0.000 63.113 63.200 -0.145 0.000 0.593 171 N N 1.271 119.660 118.700 -0.519 0.000 2.381 171 N HA 0.833 5.574 4.740 0.002 0.000 0.294 171 N C -1.191 174.188 175.510 -0.217 0.000 1.216 171 N CA -0.710 52.117 53.050 -0.371 0.000 0.803 171 N CB 2.032 40.079 38.487 -0.735 0.000 1.372 171 N HN 0.811 nan 8.380 nan 0.000 0.500 172 S N -0.484 115.154 115.700 -0.103 0.000 2.563 172 S HA 0.638 5.109 4.470 0.002 0.000 0.279 172 S C -2.039 172.737 174.600 0.293 0.000 1.155 172 S CA -0.956 57.287 58.200 0.072 0.000 0.928 172 S CB 1.114 64.425 63.200 0.185 0.000 1.107 172 S HN 0.482 nan 8.310 nan 0.000 0.462 173 W N 0.876 122.332 121.300 0.260 0.000 3.127 173 W HA 0.817 5.478 4.660 0.002 0.000 0.330 173 W C -0.639 176.071 176.519 0.320 0.000 1.187 173 W CA -1.146 56.385 57.345 0.309 0.000 1.198 173 W CB 2.140 31.798 29.460 0.330 0.000 1.408 173 W HN 1.196 nan 8.180 nan 0.000 0.529 174 A N 2.059 125.184 122.820 0.508 0.000 2.408 174 A HA 0.755 5.077 4.320 0.002 0.000 0.295 174 A C -1.780 175.942 177.584 0.230 0.000 1.040 174 A CA -0.563 51.657 52.037 0.304 0.000 0.707 174 A CB 1.337 20.485 19.000 0.247 0.000 1.235 174 A HN 0.270 nan 8.150 nan 0.000 0.418 175 V N 2.275 122.239 119.914 0.083 0.000 2.417 175 V HA 0.644 4.765 4.120 0.002 0.000 0.291 175 V C 0.846 176.935 176.094 -0.007 0.000 1.024 175 V CA -0.300 62.014 62.300 0.023 0.000 0.861 175 V CB 1.353 33.090 31.823 -0.143 0.000 0.985 175 V HN 1.273 nan 8.190 nan 0.000 0.436 176 A N 6.565 129.398 122.820 0.021 0.000 2.445 176 A HA 0.463 4.784 4.320 0.002 0.000 0.242 176 A C -1.325 176.242 177.584 -0.028 0.000 1.075 176 A CA -0.895 51.137 52.037 -0.009 0.000 0.777 176 A CB 0.017 19.018 19.000 0.001 0.000 1.013 176 A HN 0.714 nan 8.150 nan 0.000 0.493 177 P HA -0.168 nan 4.420 nan 0.000 0.216 177 P C 1.599 178.878 177.300 -0.034 0.000 1.150 177 P CA 2.019 65.097 63.100 -0.037 0.000 0.843 177 P CB 0.109 31.791 31.700 -0.031 0.000 0.787 178 G N -0.471 108.314 108.800 -0.025 0.000 2.470 178 G HA2 -0.245 3.716 3.960 0.002 0.000 0.220 178 G HA3 -0.245 3.716 3.960 0.002 0.000 0.220 178 G C 1.470 176.356 174.900 -0.023 0.000 1.121 178 G CA 0.455 45.542 45.100 -0.021 0.000 0.766 178 G HN 0.304 nan 8.290 nan 0.000 0.553 179 K N 0.527 120.913 120.400 -0.024 0.000 2.404 179 K HA 0.079 4.400 4.320 0.002 0.000 0.194 179 K C 0.793 177.356 176.600 -0.061 0.000 1.023 179 K CA 0.429 56.698 56.287 -0.031 0.000 1.094 179 K CB 0.120 32.615 32.500 -0.009 0.000 0.841 179 K HN 0.417 nan 8.250 nan 0.000 0.523 180 T N -4.196 110.318 114.554 -0.066 0.000 2.948 180 T HA 0.535 4.886 4.350 0.002 0.000 0.285 180 T C 1.077 175.738 174.700 -0.064 0.000 1.019 180 T CA -0.527 61.523 62.100 -0.083 0.000 1.013 180 T CB 1.819 70.626 68.868 -0.102 0.000 1.117 180 T HN -0.026 nan 8.240 nan 0.000 0.533 181 A N 1.257 124.037 122.820 -0.066 0.000 1.855 181 A HA 0.036 4.357 4.320 0.002 0.000 0.213 181 A C 2.112 179.670 177.584 -0.044 0.000 1.195 181 A CA 0.744 52.750 52.037 -0.052 0.000 0.610 181 A CB -0.846 18.123 19.000 -0.052 0.000 0.837 181 A HN 0.810 nan 8.150 nan 0.000 0.444 182 N N -0.791 117.880 118.700 -0.048 0.000 2.463 182 N HA 0.104 4.845 4.740 0.002 0.000 0.181 182 N C 1.156 176.646 175.510 -0.034 0.000 1.078 182 N CA 1.138 54.165 53.050 -0.039 0.000 0.902 182 N CB 0.249 38.712 38.487 -0.040 0.000 0.970 182 N HN 0.711 nan 8.380 nan 0.000 0.451 183 G N 0.605 109.381 108.800 -0.040 0.000 2.141 183 G HA2 -0.229 3.732 3.960 0.002 0.000 0.242 183 G HA3 -0.229 3.732 3.960 0.002 0.000 0.242 183 G C -0.301 174.583 174.900 -0.027 0.000 0.982 183 G CA -0.313 44.768 45.100 -0.032 0.000 0.662 183 G HN 0.305 nan 8.290 nan 0.000 0.527 184 N N 0.634 119.315 118.700 -0.031 0.000 2.405 184 N HA 0.647 5.388 4.740 0.002 0.000 0.299 184 N C 0.469 175.970 175.510 -0.016 0.000 1.075 184 N CA 0.272 53.318 53.050 -0.006 0.000 0.884 184 N CB 1.760 40.249 38.487 0.003 0.000 1.194 184 N HN 0.610 nan 8.380 nan 0.000 0.491 185 A N 1.841 124.679 122.820 0.030 0.000 2.466 185 A HA 0.368 4.689 4.320 0.002 0.000 0.238 185 A C 0.032 177.651 177.584 0.059 0.000 1.074 185 A CA 0.090 52.142 52.037 0.026 0.000 0.774 185 A CB 0.039 19.035 19.000 -0.005 0.000 1.015 185 A HN 0.639 nan 8.150 nan 0.000 0.498 186 L N 1.299 122.460 121.223 -0.103 0.000 2.362 186 L HA 0.678 5.019 4.340 0.002 0.000 0.271 186 L C -0.754 176.031 176.870 -0.143 0.000 1.002 186 L CA -0.767 53.875 54.840 -0.329 0.000 0.818 186 L CB 1.754 43.255 42.059 -0.929 0.000 1.298 186 L HN 0.690 nan 8.230 nan 0.000 0.420 187 L N 3.380 124.589 121.223 -0.024 0.000 2.431 187 L HA 0.655 4.996 4.340 0.002 0.000 0.266 187 L C -1.589 175.480 176.870 0.331 0.000 0.978 187 L CA -0.432 54.546 54.840 0.230 0.000 0.822 187 L CB 2.108 44.348 42.059 0.301 0.000 1.310 187 L HN 0.492 nan 8.230 nan 0.000 0.409 188 L N 3.905 125.377 121.223 0.415 0.000 2.333 188 L HA 0.593 4.934 4.340 0.002 0.000 0.280 188 L C -1.080 175.855 176.870 0.109 0.000 1.004 188 L CA 0.115 55.095 54.840 0.233 0.000 0.820 188 L CB 1.688 43.820 42.059 0.122 0.000 1.247 188 L HN 0.715 nan 8.230 nan 0.000 0.416 189 Q N 4.785 124.601 119.800 0.027 0.000 2.325 189 Q HA 0.381 4.722 4.340 0.002 0.000 0.262 189 Q C -0.713 175.190 176.000 -0.162 0.000 0.968 189 Q CA -0.117 55.732 55.803 0.077 0.000 0.877 189 Q CB 1.282 30.161 28.738 0.235 0.000 1.253 189 Q HN 0.728 nan 8.270 nan 0.000 0.448 190 N N 2.843 121.440 118.700 -0.172 0.000 2.666 190 N HA 0.170 4.911 4.740 0.002 0.000 0.253 190 N C -2.753 172.468 175.510 -0.482 0.000 1.621 190 N CA -1.222 51.610 53.050 -0.362 0.000 0.785 190 N CB 1.096 39.318 38.487 -0.441 0.000 1.332 190 N HN 0.337 nan 8.380 nan 0.000 0.514 191 P HA 0.141 nan 4.420 nan 0.000 0.275 191 P C -1.240 175.926 177.300 -0.223 0.000 1.227 191 P CA 0.212 63.142 63.100 -0.283 0.000 0.781 191 P CB 0.969 32.448 31.700 -0.368 0.000 0.906 192 H N 2.751 121.825 119.070 0.006 0.000 2.511 192 H HA 0.575 5.132 4.556 0.002 0.000 0.328 192 H C 0.183 175.597 175.328 0.144 0.000 1.044 192 H CA -0.387 55.637 56.048 -0.041 0.000 1.212 192 H CB 0.947 30.626 29.762 -0.137 0.000 1.428 192 H HN 0.366 nan 8.280 nan 0.000 0.483 193 L N 0.551 121.951 121.223 0.294 0.000 2.600 193 L HA 0.252 4.593 4.340 0.002 0.000 0.257 193 L C 0.349 177.503 176.870 0.473 0.000 1.048 193 L CA -1.008 53.998 54.840 0.277 0.000 0.869 193 L CB 2.307 44.337 42.059 -0.049 0.000 1.482 193 L HN 0.446 nan 8.230 nan 0.000 0.408 194 S N -0.403 115.538 115.700 0.401 0.000 2.558 194 S HA -0.043 4.428 4.470 0.002 0.000 0.291 194 S C 0.123 175.048 174.600 0.541 0.000 1.306 194 S CA 0.281 58.739 58.200 0.431 0.000 1.056 194 S CB 0.249 63.657 63.200 0.348 0.000 0.836 194 S HN 0.474 nan 8.310 nan 0.000 0.504 195 W N 2.400 123.824 121.300 0.206 0.000 3.139 195 W HA 0.166 4.827 4.660 0.002 0.000 0.260 195 W C 2.348 178.926 176.519 0.099 0.000 1.312 195 W CA 0.587 58.081 57.345 0.248 0.000 1.606 195 W CB -0.861 28.744 29.460 0.241 0.000 1.118 195 W HN 0.969 nan 8.180 nan 0.000 0.675 196 T N -6.068 108.639 114.554 0.255 0.000 2.989 196 T HA 0.098 4.449 4.350 0.002 0.000 0.250 196 T C 0.878 175.559 174.700 -0.032 0.000 0.981 196 T CA 0.159 62.316 62.100 0.094 0.000 0.980 196 T CB -0.387 68.541 68.868 0.100 0.000 1.133 196 T HN -0.277 nan 8.240 nan 0.000 0.489 197 T N 4.586 119.116 114.554 -0.041 0.000 2.792 197 T HA 0.103 4.454 4.350 0.002 0.000 0.286 197 T C 1.094 175.571 174.700 -0.373 0.000 0.970 197 T CA 0.420 62.354 62.100 -0.276 0.000 1.187 197 T CB 0.745 69.402 68.868 -0.352 0.000 0.915 197 T HN 0.551 nan 8.240 nan 0.000 0.529 198 D N 3.709 123.871 120.400 -0.397 0.000 2.106 198 D HA -0.266 4.375 4.640 0.002 0.000 0.191 198 D C 1.684 177.828 176.300 -0.260 0.000 0.997 198 D CA 1.758 55.587 54.000 -0.286 0.000 0.834 198 D CB -0.754 39.933 40.800 -0.189 0.000 0.956 198 D HN 0.833 nan 8.370 nan 0.000 0.448 199 Y N -1.595 118.579 120.300 -0.210 0.000 2.639 199 Y HA 0.210 4.761 4.550 0.002 0.000 0.297 199 Y C 1.567 177.392 175.900 -0.125 0.000 1.151 199 Y CA -0.204 57.770 58.100 -0.209 0.000 1.335 199 Y CB -1.288 37.006 38.460 -0.276 0.000 0.994 199 Y HN 0.008 nan 8.280 nan 0.000 0.548 200 F N 0.276 120.122 119.950 -0.174 0.000 2.664 200 F HA 0.183 4.711 4.527 0.002 0.000 0.303 200 F C 0.574 176.168 175.800 -0.344 0.000 1.092 200 F CA -0.572 57.318 58.000 -0.184 0.000 1.305 200 F CB 0.336 39.259 39.000 -0.128 0.000 1.054 200 F HN -0.145 nan 8.300 nan 0.000 0.565 201 T N 0.709 115.192 114.554 -0.119 0.000 2.851 201 T HA 0.084 4.435 4.350 0.002 0.000 0.298 201 T C -0.577 174.057 174.700 -0.110 0.000 0.977 201 T CA 0.262 62.246 62.100 -0.194 0.000 1.126 201 T CB 0.236 68.962 68.868 -0.237 0.000 0.916 201 T HN 0.017 nan 8.240 nan 0.000 0.529 202 Y N 1.673 122.089 120.300 0.193 0.000 2.320 202 Y HA 0.461 5.012 4.550 0.002 0.000 0.324 202 Y C -0.135 175.857 175.900 0.154 0.000 1.190 202 Y CA -0.944 57.236 58.100 0.133 0.000 1.215 202 Y CB 0.983 39.476 38.460 0.055 0.000 1.221 202 Y HN 0.589 nan 8.280 nan 0.000 0.486 203 Y N 2.289 122.627 120.300 0.064 0.000 2.462 203 Y HA 0.330 4.881 4.550 0.002 0.000 0.346 203 Y C -0.815 174.941 175.900 -0.240 0.000 0.976 203 Y CA -1.543 56.521 58.100 -0.060 0.000 1.044 203 Y CB 1.579 40.004 38.460 -0.059 0.000 1.230 203 Y HN 0.639 nan 8.280 nan 0.000 0.455 204 E N 4.147 123.870 120.200 -0.794 0.000 2.166 204 E HA 0.769 5.120 4.350 0.002 0.000 0.275 204 E C -1.606 174.441 176.600 -0.921 0.000 0.941 204 E CA -0.590 55.300 56.400 -0.850 0.000 0.784 204 E CB 1.076 30.369 29.700 -0.679 0.000 1.115 204 E HN 0.830 nan 8.360 nan 0.000 0.399 205 A N 3.653 126.027 122.820 -0.744 0.000 2.568 205 A HA 0.583 4.904 4.320 0.002 0.000 0.291 205 A C -1.824 175.406 177.584 -0.590 0.000 1.159 205 A CA -0.673 51.037 52.037 -0.545 0.000 0.679 205 A CB 1.639 20.478 19.000 -0.269 0.000 1.285 205 A HN 0.754 nan 8.150 nan 0.000 0.428 206 H N -0.412 118.407 119.070 -0.418 0.000 3.096 206 H HA 0.653 5.210 4.556 0.002 0.000 0.335 206 H C -2.283 172.995 175.328 -0.084 0.000 0.990 206 H CA -0.700 55.183 56.048 -0.275 0.000 1.393 206 H CB 0.835 30.528 29.762 -0.115 0.000 1.742 206 H HN 0.459 nan 8.280 nan 0.000 0.501 207 L N 5.484 126.654 121.223 -0.087 0.000 2.322 207 L HA 0.623 4.964 4.340 0.002 0.000 0.281 207 L C -0.693 176.025 176.870 -0.253 0.000 1.014 207 L CA -0.727 54.042 54.840 -0.119 0.000 0.815 207 L CB 1.886 44.015 42.059 0.117 0.000 1.247 207 L HN 0.485 nan 8.230 nan 0.000 0.421 208 V N 1.532 121.241 119.914 -0.342 0.000 2.623 208 V HA 0.773 4.894 4.120 0.002 0.000 0.304 208 V C -0.095 175.773 176.094 -0.375 0.000 1.054 208 V CA -0.515 61.565 62.300 -0.365 0.000 0.882 208 V CB 2.001 33.638 31.823 -0.310 0.000 1.002 208 V HN 0.882 nan 8.190 nan 0.000 0.424 209 T N 1.888 116.130 114.554 -0.521 0.000 2.864 209 T HA 0.596 4.947 4.350 0.002 0.000 0.289 209 T C -2.370 172.197 174.700 -0.223 0.000 1.082 209 T CA -1.928 59.941 62.100 -0.385 0.000 1.009 209 T CB 2.214 70.767 68.868 -0.524 0.000 1.234 209 T HN 0.325 nan 8.240 nan 0.000 0.526 210 P HA 0.136 nan 4.420 nan 0.000 0.226 210 P C 0.434 177.742 177.300 0.013 0.000 1.153 210 P CA 0.696 63.777 63.100 -0.033 0.000 0.777 210 P CB 0.111 31.808 31.700 -0.004 0.000 0.794 211 D N -1.896 118.521 120.400 0.028 0.000 2.407 211 D HA 0.167 4.808 4.640 0.002 0.000 0.208 211 D C 0.393 176.869 176.300 0.292 0.000 1.083 211 D CA 0.325 54.425 54.000 0.167 0.000 0.844 211 D CB 0.554 41.499 40.800 0.241 0.000 0.967 211 D HN 0.246 nan 8.370 nan 0.000 0.506 212 F N -0.370 119.629 119.950 0.081 0.000 2.807 212 F HA 0.557 5.085 4.527 0.002 0.000 0.316 212 F C -1.833 173.992 175.800 0.043 0.000 1.162 212 F CA -1.196 56.834 58.000 0.049 0.000 0.910 212 F CB 1.567 40.589 39.000 0.036 0.000 1.314 212 F HN -0.303 nan 8.300 nan 0.000 0.454 213 E N 1.537 121.957 120.200 0.366 0.000 2.343 213 E HA 0.752 5.103 4.350 0.002 0.000 0.278 213 E C -2.056 174.734 176.600 0.318 0.000 0.910 213 E CA -0.814 55.730 56.400 0.240 0.000 0.757 213 E CB 2.655 32.451 29.700 0.162 0.000 1.218 213 E HN 0.770 nan 8.360 nan 0.000 0.435 214 I N 3.999 124.746 120.570 0.294 0.000 2.611 214 I HA 0.265 4.436 4.170 0.002 0.000 0.287 214 I C -1.554 174.656 176.117 0.154 0.000 1.184 214 I CA -0.762 60.656 61.300 0.197 0.000 1.054 214 I CB 1.603 39.732 38.000 0.214 0.000 1.257 214 I HN 0.553 nan 8.210 nan 0.000 0.435 215 Y N 4.927 125.103 120.300 -0.206 0.000 2.446 215 Y HA 0.886 5.437 4.550 0.002 0.000 0.338 215 Y C 0.387 176.084 175.900 -0.338 0.000 1.055 215 Y CA 0.238 58.116 58.100 -0.370 0.000 1.101 215 Y CB 2.162 40.096 38.460 -0.876 0.000 1.221 215 Y HN 0.732 nan 8.280 nan 0.000 0.460 216 G N 1.419 109.954 108.800 -0.442 0.000 2.369 216 G HA2 0.461 4.422 3.960 0.002 0.000 0.293 216 G HA3 0.461 4.422 3.960 0.002 0.000 0.293 216 G C -2.149 172.438 174.900 -0.523 0.000 1.301 216 G CA -0.427 44.568 45.100 -0.175 0.000 0.913 216 G HN 0.982 nan 8.290 nan 0.000 0.540 217 A N -0.993 121.450 122.820 -0.628 0.000 2.337 217 A HA 0.991 5.312 4.320 0.002 0.000 0.331 217 A C 0.062 177.546 177.584 -0.167 0.000 1.137 217 A CA 0.221 51.820 52.037 -0.730 0.000 0.807 217 A CB 2.109 20.172 19.000 -1.562 0.000 1.250 217 A HN 1.810 nan 8.150 nan 0.000 0.468 218 T N -0.060 114.511 114.554 0.029 0.000 2.802 218 T HA 0.433 4.784 4.350 0.002 0.000 0.311 218 T C -1.165 173.720 174.700 0.308 0.000 1.405 218 T CA -0.428 61.814 62.100 0.237 0.000 1.016 218 T CB 1.233 70.167 68.868 0.109 0.000 1.352 218 T HN 0.716 nan 8.240 nan 0.000 0.498 219 Q N 1.831 121.787 119.800 0.259 0.000 2.364 219 Q HA 0.415 4.756 4.340 0.002 0.000 0.267 219 Q C 0.407 176.444 176.000 0.063 0.000 0.999 219 Q CA -0.100 55.767 55.803 0.107 0.000 0.886 219 Q CB 0.202 29.000 28.738 0.099 0.000 1.243 219 Q HN 0.628 nan 8.270 nan 0.000 0.415 220 I N -1.220 119.356 120.570 0.010 0.000 2.815 220 I HA 0.294 4.465 4.170 0.002 0.000 0.291 220 I C 1.097 177.182 176.117 -0.052 0.000 1.209 220 I CA 0.687 61.951 61.300 -0.059 0.000 1.431 220 I CB 0.086 38.017 38.000 -0.114 0.000 1.351 220 I HN 0.772 nan 8.210 nan 0.000 0.585 221 G N 4.887 113.637 108.800 -0.082 0.000 2.258 221 G HA2 -0.210 3.751 3.960 0.002 0.000 0.233 221 G HA3 -0.210 3.751 3.960 0.002 0.000 0.233 221 G C 0.120 174.995 174.900 -0.042 0.000 1.006 221 G CA -0.035 45.027 45.100 -0.063 0.000 0.620 221 G HN 0.638 nan 8.290 nan 0.000 0.511 222 L N 2.426 123.636 121.223 -0.020 0.000 2.331 222 L HA 0.346 4.687 4.340 0.002 0.000 0.278 222 L C -0.440 176.420 176.870 -0.018 0.000 1.106 222 L CA -1.358 53.475 54.840 -0.012 0.000 0.824 222 L CB 1.164 43.225 42.059 0.003 0.000 1.142 222 L HN 0.058 nan 8.230 nan 0.000 0.443 223 P HA 0.050 nan 4.420 nan 0.000 0.249 223 P C -0.085 177.214 177.300 -0.002 0.000 1.229 223 P CA 0.396 63.478 63.100 -0.030 0.000 0.788 223 P CB 0.531 32.199 31.700 -0.053 0.000 1.072 224 V N 0.648 120.569 119.914 0.012 0.000 2.914 224 V HA 0.335 4.456 4.120 0.002 0.000 0.314 224 V C 0.324 176.427 176.094 0.016 0.000 1.084 224 V CA -0.985 61.347 62.300 0.053 0.000 0.963 224 V CB 2.758 34.634 31.823 0.089 0.000 1.025 224 V HN -0.176 nan 8.190 nan 0.000 0.432 225 I N 3.361 123.960 120.570 0.047 0.000 2.281 225 I HA 0.323 4.494 4.170 0.002 0.000 0.293 225 I C 1.472 177.589 176.117 0.000 0.000 1.085 225 I CA -0.142 61.175 61.300 0.029 0.000 1.257 225 I CB 0.601 38.623 38.000 0.038 0.000 1.430 225 I HN 0.642 nan 8.210 nan 0.000 0.489 226 R N 3.987 124.436 120.500 -0.086 0.000 2.096 226 R HA -0.046 4.295 4.340 0.002 0.000 0.235 226 R C -0.094 176.111 176.300 -0.158 0.000 1.127 226 R CA 1.329 57.251 56.100 -0.297 0.000 0.968 226 R CB 0.015 30.061 30.300 -0.423 0.000 0.861 226 R HN 0.361 nan 8.270 nan 0.000 0.440 227 F N 0.580 120.536 119.950 0.010 0.000 2.300 227 F HA 0.428 4.956 4.527 0.002 0.000 0.364 227 F C 0.178 176.086 175.800 0.180 0.000 1.090 227 F CA -0.781 57.289 58.000 0.117 0.000 1.200 227 F CB 1.009 40.067 39.000 0.098 0.000 1.493 227 F HN -0.055 nan 8.300 nan 0.000 0.518 228 A N 2.967 125.981 122.820 0.323 0.000 2.346 228 A HA 0.978 5.299 4.320 0.002 0.000 0.313 228 A C -1.166 176.670 177.584 0.420 0.000 1.140 228 A CA -0.580 51.633 52.037 0.293 0.000 0.826 228 A CB 1.771 20.870 19.000 0.164 0.000 1.332 228 A HN 0.579 nan 8.150 nan 0.000 0.457 229 F N -0.617 119.489 119.950 0.260 0.000 2.773 229 F HA 0.766 5.294 4.527 0.001 0.000 0.314 229 F C -0.865 175.078 175.800 0.238 0.000 1.160 229 F CA -0.784 57.374 58.000 0.263 0.000 0.920 229 F CB 0.931 40.094 39.000 0.271 0.000 1.323 229 F HN 0.835 nan 8.300 nan 0.000 0.457 230 N N -1.160 117.784 118.700 0.407 0.000 3.588 230 N HA 0.210 4.951 4.740 0.002 0.000 0.340 230 N C -0.346 175.369 175.510 0.342 0.000 1.609 230 N CA -0.635 52.549 53.050 0.223 0.000 0.811 230 N CB 0.171 38.743 38.487 0.142 0.000 2.184 230 N HN 0.513 nan 8.380 nan 0.000 0.577 231 Q N -0.713 119.215 119.800 0.214 0.000 2.436 231 Q HA 0.125 4.466 4.340 0.002 0.000 0.209 231 Q C 0.065 176.195 176.000 0.217 0.000 0.965 231 Q CA 0.927 56.846 55.803 0.194 0.000 0.910 231 Q CB 0.054 28.866 28.738 0.123 0.000 0.980 231 Q HN 0.361 nan 8.270 nan 0.000 0.491 235 I N -2.176 118.509 120.570 0.192 0.000 3.191 235 I HA 0.970 5.141 4.170 0.002 0.000 0.313 235 I C -0.571 175.664 176.117 0.197 0.000 1.193 235 I CA -1.044 60.367 61.300 0.185 0.000 0.968 235 I CB 2.324 40.467 38.000 0.239 0.000 1.262 235 I HN 0.706 nan 8.210 nan 0.000 0.456 236 T N 0.680 115.316 114.554 0.136 0.000 2.821 236 T HA 0.501 4.852 4.350 0.002 0.000 0.306 236 T C -1.700 172.948 174.700 -0.087 0.000 1.313 236 T CA -0.698 61.440 62.100 0.064 0.000 1.012 236 T CB 1.664 70.679 68.868 0.245 0.000 1.298 236 T HN 0.816 nan 8.240 nan 0.000 0.502 237 N N 1.154 119.701 118.700 -0.255 0.000 2.262 237 N HA 0.670 5.411 4.740 0.002 0.000 0.295 237 N C -1.112 174.419 175.510 0.036 0.000 1.161 237 N CA -0.580 52.340 53.050 -0.216 0.000 0.767 237 N CB 2.384 40.471 38.487 -0.666 0.000 1.499 237 N HN 0.855 nan 8.380 nan 0.000 0.476 238 T N -3.279 111.326 114.554 0.086 0.000 2.864 238 T HA 0.366 4.717 4.350 0.002 0.000 0.299 238 T C -0.780 174.067 174.700 0.246 0.000 1.166 238 T CA -0.701 61.489 62.100 0.151 0.000 1.007 238 T CB 1.376 70.328 68.868 0.141 0.000 1.219 238 T HN 0.144 nan 8.240 nan 0.000 0.506 239 V N 2.574 122.630 119.914 0.237 0.000 2.488 239 V HA 0.394 4.516 4.120 0.002 0.000 0.277 239 V C 0.932 177.108 176.094 0.137 0.000 1.046 239 V CA 0.032 62.483 62.300 0.251 0.000 0.986 239 V CB 0.402 32.346 31.823 0.201 0.000 0.989 239 V HN 1.063 nan 8.190 nan 0.000 0.475 240 N N 4.887 123.619 118.700 0.053 0.000 2.181 240 N HA 0.363 5.104 4.740 0.002 0.000 0.207 240 N C 0.730 176.221 175.510 -0.031 0.000 1.182 240 N CA 0.154 53.193 53.050 -0.018 0.000 0.893 240 N CB 0.740 39.069 38.487 -0.263 0.000 1.032 240 N HN 0.994 nan 8.380 nan 0.000 0.513 244 G N 0.906 109.638 108.800 -0.112 0.000 2.956 244 G HA2 0.520 4.481 3.960 0.002 0.000 0.207 244 G HA3 0.520 4.481 3.960 0.002 0.000 0.207 244 G C 0.422 175.277 174.900 -0.075 0.000 1.162 244 G CA 0.876 45.889 45.100 -0.143 0.000 0.796 244 G HN 1.084 nan 8.290 nan 0.000 0.527 245 A N -1.021 121.789 122.820 -0.017 0.000 2.556 245 A HA 0.819 5.140 4.320 0.002 0.000 0.294 245 A C -0.684 176.983 177.584 0.139 0.000 1.091 245 A CA -0.465 51.641 52.037 0.115 0.000 0.704 245 A CB 1.571 20.619 19.000 0.079 0.000 1.300 245 A HN 0.046 nan 8.150 nan 0.000 0.406 246 T N 1.978 116.681 114.554 0.248 0.000 2.861 246 T HA 0.466 4.817 4.350 0.002 0.000 0.287 246 T C -0.908 173.775 174.700 -0.029 0.000 1.003 246 T CA -0.664 61.499 62.100 0.104 0.000 0.977 246 T CB 1.082 70.062 68.868 0.187 0.000 0.996 246 T HN 0.549 nan 8.240 nan 0.000 0.448 247 N N 2.640 121.244 118.700 -0.160 0.000 2.501 247 N HA 0.284 5.025 4.740 0.002 0.000 0.245 247 N C -1.262 174.117 175.510 -0.218 0.000 0.974 247 N CA -0.303 52.680 53.050 -0.111 0.000 0.941 247 N CB 1.050 39.480 38.487 -0.095 0.000 1.122 247 N HN 0.521 nan 8.380 nan 0.000 0.507 248 Y N 0.646 120.881 120.300 -0.109 0.000 2.310 248 Y HA 0.262 4.813 4.550 0.002 0.000 0.326 248 Y C 1.177 176.987 175.900 -0.149 0.000 1.151 248 Y CA -0.627 57.353 58.100 -0.200 0.000 1.195 248 Y CB 1.265 39.447 38.460 -0.463 0.000 1.210 248 Y HN 0.185 nan 8.280 nan 0.000 0.483 249 R N 4.276 124.794 120.500 0.029 0.000 2.254 249 R HA 0.450 4.791 4.340 0.002 0.000 0.318 249 R C -1.373 174.973 176.300 0.076 0.000 1.031 249 R CA -0.304 55.815 56.100 0.032 0.000 0.905 249 R CB 0.260 30.562 30.300 0.003 0.000 1.050 249 R HN 0.787 nan 8.270 nan 0.000 0.456 250 L N 2.701 123.980 121.223 0.092 0.000 2.375 250 L HA 0.369 4.710 4.340 0.002 0.000 0.268 250 L C 0.178 177.146 176.870 0.162 0.000 1.058 250 L CA -0.667 54.261 54.840 0.147 0.000 0.803 250 L CB 2.016 44.172 42.059 0.162 0.000 1.212 250 L HN 0.622 nan 8.230 nan 0.000 0.451 251 T N 3.216 117.893 114.554 0.204 0.000 3.042 251 T HA 0.412 4.763 4.350 0.002 0.000 0.356 251 T C 0.074 174.884 174.700 0.184 0.000 1.233 251 T CA -0.479 61.721 62.100 0.167 0.000 1.038 251 T CB -0.014 68.944 68.868 0.151 0.000 1.089 251 T HN 0.249 nan 8.240 nan 0.000 0.531 252 L N 3.319 124.648 121.223 0.175 0.000 2.490 252 L HA 0.355 4.696 4.340 0.002 0.000 0.274 252 L C 0.435 177.378 176.870 0.123 0.000 1.201 252 L CA 0.159 55.110 54.840 0.185 0.000 0.869 252 L CB 0.318 42.484 42.059 0.178 0.000 1.123 252 L HN 0.600 nan 8.230 nan 0.000 0.484 253 Q N 2.490 122.351 119.800 0.102 0.000 2.430 253 Q HA 0.096 4.437 4.340 0.002 0.000 0.253 253 Q C -1.421 174.598 176.000 0.032 0.000 0.945 253 Q CA -0.652 55.184 55.803 0.056 0.000 0.964 253 Q CB 1.410 30.171 28.738 0.039 0.000 1.460 253 Q HN 0.687 nan 8.270 nan 0.000 0.428 254 D N 3.239 123.657 120.400 0.031 0.000 2.697 254 D HA -0.234 4.407 4.640 0.002 0.000 0.235 254 D C 0.763 177.079 176.300 0.027 0.000 1.167 254 D CA 1.923 55.934 54.000 0.019 0.000 0.656 254 D CB -1.184 39.614 40.800 -0.003 0.000 1.025 254 D HN 1.157 nan 8.370 nan 0.000 0.419 255 G N -1.433 107.406 108.800 0.064 0.000 2.220 255 G HA2 -0.262 3.699 3.960 0.002 0.000 0.269 255 G HA3 -0.262 3.699 3.960 0.002 0.000 0.269 255 G C 0.719 175.695 174.900 0.127 0.000 0.977 255 G CA 0.977 46.137 45.100 0.100 0.000 0.634 255 G HN 0.966 nan 8.290 nan 0.000 0.539 256 G N -0.957 107.857 108.800 0.023 0.000 3.212 256 G HA2 0.830 4.791 3.960 0.002 0.000 0.188 256 G HA3 0.830 4.791 3.960 0.002 0.000 0.188 256 G C -0.727 174.081 174.900 -0.154 0.000 1.254 256 G CA -0.337 44.661 45.100 -0.171 0.000 0.957 256 G HN 1.342 nan 8.290 nan 0.000 0.596 257 Y N -1.613 118.420 120.300 -0.444 0.000 2.457 257 Y HA 0.720 5.271 4.550 0.002 0.000 0.343 257 Y C -0.919 174.924 175.900 -0.096 0.000 0.994 257 Y CA -1.586 56.373 58.100 -0.236 0.000 1.031 257 Y CB 1.638 39.918 38.460 -0.300 0.000 1.246 257 Y HN 0.458 nan 8.280 nan 0.000 0.449 258 L N 5.029 126.295 121.223 0.071 0.000 2.410 258 L HA 0.327 4.668 4.340 0.002 0.000 0.273 258 L C -1.378 175.597 176.870 0.176 0.000 1.144 258 L CA 0.163 55.031 54.840 0.046 0.000 0.863 258 L CB -0.258 41.847 42.059 0.076 0.000 1.140 258 L HN 0.756 nan 8.230 nan 0.000 0.463 259 Y N 4.029 124.272 120.300 -0.095 0.000 2.441 259 Y HA 0.266 4.817 4.550 0.002 0.000 0.334 259 Y C -0.099 175.774 175.900 -0.047 0.000 1.061 259 Y CA -1.159 56.924 58.100 -0.027 0.000 1.032 259 Y CB 1.142 39.538 38.460 -0.108 0.000 1.266 259 Y HN 0.765 nan 8.280 nan 0.000 0.441 260 D N 4.605 124.750 120.400 -0.424 0.000 2.720 260 D HA -0.197 4.444 4.640 0.002 0.000 0.229 260 D C 1.227 177.448 176.300 -0.132 0.000 1.198 260 D CA 2.203 56.014 54.000 -0.315 0.000 0.639 260 D CB -0.934 39.643 40.800 -0.371 0.000 1.003 260 D HN 1.290 nan 8.370 nan 0.000 0.411 261 G N -0.884 107.868 108.800 -0.079 0.000 2.184 261 G HA2 -0.329 3.632 3.960 0.002 0.000 0.264 261 G HA3 -0.329 3.632 3.960 0.002 0.000 0.264 261 G C 0.202 175.078 174.900 -0.039 0.000 0.975 261 G CA 0.610 45.683 45.100 -0.045 0.000 0.642 261 G HN 0.456 nan 8.290 nan 0.000 0.536 262 Q N -0.787 118.986 119.800 -0.045 0.000 2.423 262 Q HA 0.579 4.920 4.340 0.002 0.000 0.278 262 Q C -0.268 175.674 176.000 -0.097 0.000 1.097 262 Q CA -0.794 54.973 55.803 -0.059 0.000 0.809 262 Q CB 2.351 31.052 28.738 -0.060 0.000 1.391 262 Q HN 0.231 nan 8.270 nan 0.000 0.428 263 V N 2.362 122.206 119.914 -0.116 0.000 2.352 263 V HA 0.172 4.293 4.120 0.002 0.000 0.253 263 V C 0.612 176.539 176.094 -0.279 0.000 1.083 263 V CA 0.010 62.203 62.300 -0.177 0.000 0.993 263 V CB -0.003 31.752 31.823 -0.112 0.000 1.111 263 V HN 0.451 nan 8.190 nan 0.000 0.490 264 R N 6.247 126.444 120.500 -0.505 0.000 2.459 264 R HA 0.419 4.760 4.340 0.002 0.000 0.281 264 R C -2.580 173.334 176.300 -0.644 0.000 1.050 264 R CA -1.572 54.172 56.100 -0.594 0.000 1.055 264 R CB 1.376 31.205 30.300 -0.786 0.000 1.045 264 R HN 0.356 nan 8.270 nan 0.000 0.495 265 P HA 0.187 nan 4.420 nan 0.000 0.278 265 P C -1.038 176.211 177.300 -0.085 0.000 1.258 265 P CA -0.257 62.721 63.100 -0.203 0.000 0.811 265 P CB 0.558 32.209 31.700 -0.082 0.000 1.063 266 F N -0.170 119.859 119.950 0.132 0.000 2.377 266 F HA 0.243 4.771 4.527 0.002 0.000 0.328 266 F C 1.298 177.122 175.800 0.039 0.000 1.094 266 F CA -0.368 57.708 58.000 0.127 0.000 1.093 266 F CB 0.862 39.908 39.000 0.075 0.000 1.214 266 F HN 0.162 nan 8.300 nan 0.000 0.518 267 E N 2.220 122.569 120.200 0.249 0.000 2.167 267 E HA 0.280 4.631 4.350 0.002 0.000 0.284 267 E C -0.821 175.819 176.600 0.066 0.000 1.016 267 E CA -0.480 55.983 56.400 0.105 0.000 0.817 267 E CB 0.916 30.648 29.700 0.054 0.000 1.080 267 E HN 0.392 nan 8.360 nan 0.000 0.397 268 R N 2.878 123.404 120.500 0.043 0.000 2.437 268 R HA 0.446 4.787 4.340 0.002 0.000 0.310 268 R C -0.274 176.019 176.300 -0.012 0.000 0.955 268 R CA -0.698 55.404 56.100 0.003 0.000 0.851 268 R CB 1.889 32.199 30.300 0.017 0.000 1.161 268 R HN 0.292 nan 8.270 nan 0.000 0.446 269 R N 2.444 122.925 120.500 -0.032 0.000 2.483 269 R HA 0.177 4.518 4.340 0.002 0.000 0.303 269 R C -1.135 175.145 176.300 -0.033 0.000 0.987 269 R CA -0.715 55.368 56.100 -0.028 0.000 0.881 269 R CB 1.298 31.581 30.300 -0.029 0.000 1.177 269 R HN 0.448 nan 8.270 nan 0.000 0.451 270 Q N 2.550 122.334 119.800 -0.026 0.000 2.337 270 Q HA 0.452 4.793 4.340 0.002 0.000 0.255 270 Q C -0.685 175.302 176.000 -0.021 0.000 0.997 270 Q CA 0.050 55.837 55.803 -0.027 0.000 0.925 270 Q CB 1.946 30.668 28.738 -0.026 0.000 1.212 270 Q HN 0.706 nan 8.270 nan 0.000 0.436 271 A N 1.989 124.799 122.820 -0.016 0.000 2.616 271 A HA 0.951 5.272 4.320 0.002 0.000 0.253 271 A C -0.678 176.905 177.584 -0.002 0.000 1.239 271 A CA -0.165 51.872 52.037 0.001 0.000 0.914 271 A CB 1.270 20.281 19.000 0.018 0.000 1.454 271 A HN 0.776 nan 8.150 nan 0.000 0.460 272 S N -2.220 113.494 115.700 0.022 0.000 2.595 272 S HA 0.712 5.183 4.470 0.002 0.000 0.270 272 S C -1.167 173.477 174.600 0.073 0.000 1.145 272 S CA -0.295 57.889 58.200 -0.027 0.000 0.825 272 S CB 0.882 64.037 63.200 -0.074 0.000 1.107 272 S HN 2.081 nan 8.310 nan 0.000 0.461 273 Y N -1.437 118.853 120.300 -0.017 0.000 2.638 273 Y HA 0.890 5.441 4.550 0.002 0.000 0.335 273 Y C -1.208 174.684 175.900 -0.013 0.000 1.155 273 Y CA -1.304 56.787 58.100 -0.015 0.000 1.046 273 Y CB 0.610 39.061 38.460 -0.014 0.000 1.303 273 Y HN 0.687 nan 8.280 nan 0.000 0.460 274 R N 1.647 122.275 120.500 0.213 0.000 2.368 274 R HA 0.592 4.933 4.340 0.002 0.000 0.302 274 R C -1.584 174.837 176.300 0.202 0.000 1.002 274 R CA -0.921 55.247 56.100 0.113 0.000 0.929 274 R CB 1.232 31.571 30.300 0.066 0.000 1.073 274 R HN 0.765 nan 8.270 nan 0.000 0.464 275 L N 2.728 124.021 121.223 0.116 0.000 2.298 275 L HA 0.473 4.814 4.340 0.002 0.000 0.284 275 L C -0.171 176.735 176.870 0.060 0.000 1.013 275 L CA -0.408 54.509 54.840 0.129 0.000 0.824 275 L CB 1.095 43.230 42.059 0.127 0.000 1.221 275 L HN 0.536 nan 8.230 nan 0.000 0.418 276 R N 3.626 124.157 120.500 0.050 0.000 2.537 276 R HA 0.195 4.536 4.340 0.002 0.000 0.280 276 R C -0.624 175.689 176.300 0.020 0.000 1.058 276 R CA -0.235 55.882 56.100 0.027 0.000 1.057 276 R CB 0.519 30.831 30.300 0.019 0.000 0.973 276 R HN 0.614 nan 8.270 nan 0.000 0.438 277 Q N 2.200 122.007 119.800 0.012 0.000 2.205 277 Q HA 0.215 4.556 4.340 0.002 0.000 0.249 277 Q C 0.811 176.814 176.000 0.004 0.000 0.948 277 Q CA 0.119 55.926 55.803 0.008 0.000 0.895 277 Q CB 1.672 30.412 28.738 0.003 0.000 1.249 277 Q HN 0.814 nan 8.270 nan 0.000 0.458 278 A N 1.796 124.618 122.820 0.003 0.000 1.997 278 A HA -0.232 4.089 4.320 0.002 0.000 0.221 278 A C 1.078 178.662 177.584 -0.001 0.000 1.172 278 A CA 2.292 54.330 52.037 0.001 0.000 0.645 278 A CB -0.396 18.604 19.000 0.000 0.000 0.813 278 A HN 0.769 nan 8.150 nan 0.000 0.454 279 D N -2.936 117.464 120.400 -0.001 0.000 2.340 279 D HA 0.298 4.939 4.640 0.002 0.000 0.220 279 D C 1.229 177.528 176.300 -0.002 0.000 1.039 279 D CA 1.095 55.094 54.000 -0.002 0.000 0.866 279 D CB -0.352 40.447 40.800 -0.002 0.000 0.913 279 D HN 0.802 nan 8.370 nan 0.000 0.523 280 G N 0.195 108.995 108.800 -0.001 0.000 2.259 280 G HA2 -0.254 3.707 3.960 0.002 0.000 0.217 280 G HA3 -0.254 3.707 3.960 0.002 0.000 0.217 280 G C 0.467 175.367 174.900 0.000 0.000 1.001 280 G CA 0.220 45.319 45.100 -0.001 0.000 0.627 280 G HN 0.760 nan 8.290 nan 0.000 0.501 281 S N 0.434 116.134 115.700 -0.000 0.000 2.614 281 S HA 0.646 5.117 4.470 0.002 0.000 0.265 281 S C 0.194 174.795 174.600 0.002 0.000 1.303 281 S CA 0.781 58.981 58.200 -0.001 0.000 1.000 281 S CB 1.591 64.789 63.200 -0.003 0.000 0.935 281 S HN 1.591 nan 8.310 nan 0.000 0.551 282 T N -0.921 113.633 114.554 0.001 0.000 2.792 282 T HA 0.606 4.957 4.350 0.002 0.000 0.280 282 T C -0.427 174.269 174.700 -0.006 0.000 0.990 282 T CA -0.792 61.310 62.100 0.004 0.000 0.960 282 T CB 0.881 69.755 68.868 0.010 0.000 0.939 282 T HN 0.518 nan 8.240 nan 0.000 0.439 283 V N 2.855 122.763 119.914 -0.010 0.000 2.539 283 V HA 0.354 4.475 4.120 0.002 0.000 0.292 283 V C 0.282 176.343 176.094 -0.056 0.000 1.045 283 V CA -0.716 61.566 62.300 -0.030 0.000 0.945 283 V CB 1.558 33.363 31.823 -0.031 0.000 0.993 283 V HN 0.941 nan 8.190 nan 0.000 0.464 284 D N 3.584 123.939 120.400 -0.075 0.000 2.277 284 D HA 0.336 4.977 4.640 0.002 0.000 0.249 284 D C -0.417 175.771 176.300 -0.186 0.000 1.134 284 D CA -0.162 53.768 54.000 -0.116 0.000 0.863 284 D CB 1.013 41.762 40.800 -0.085 0.000 1.143 284 D HN 0.445 nan 8.370 nan 0.000 0.458 285 K N 3.851 124.044 120.400 -0.345 0.000 2.345 285 K HA 0.417 4.738 4.320 0.002 0.000 0.255 285 K C -2.522 173.801 176.600 -0.462 0.000 0.934 285 K CA -1.759 54.262 56.287 -0.443 0.000 0.801 285 K CB 2.368 34.495 32.500 -0.623 0.000 1.137 285 K HN 0.139 nan 8.250 nan 0.000 0.424 286 P HA 0.102 nan 4.420 nan 0.000 0.271 286 P C -1.305 175.915 177.300 -0.133 0.000 1.216 286 P CA -0.479 62.523 63.100 -0.164 0.000 0.776 286 P CB 0.505 32.144 31.700 -0.103 0.000 0.881 287 L N 1.898 123.084 121.223 -0.062 0.000 2.555 287 L HA 0.354 4.695 4.340 0.002 0.000 0.264 287 L C -0.666 176.193 176.870 -0.017 0.000 0.972 287 L CA -0.500 54.347 54.840 0.012 0.000 0.876 287 L CB 1.473 43.622 42.059 0.150 0.000 1.216 287 L HN 0.261 nan 8.230 nan 0.000 0.415 288 E N 5.110 125.283 120.200 -0.045 0.000 2.227 288 E HA 0.466 4.817 4.350 0.002 0.000 0.282 288 E C -1.097 175.435 176.600 -0.112 0.000 1.015 288 E CA -0.491 55.866 56.400 -0.070 0.000 0.823 288 E CB 0.980 30.635 29.700 -0.076 0.000 1.081 288 E HN 0.704 nan 8.360 nan 0.000 0.396 289 I N 5.614 126.116 120.570 -0.113 0.000 2.359 289 I HA 0.314 4.485 4.170 0.002 0.000 0.284 289 I C 0.074 176.089 176.117 -0.170 0.000 1.018 289 I CA -0.541 60.662 61.300 -0.162 0.000 1.173 289 I CB 1.017 38.945 38.000 -0.119 0.000 1.326 289 I HN 0.376 nan 8.210 nan 0.000 0.462 290 R N 4.003 124.350 120.500 -0.257 0.000 2.428 290 R HA 0.680 5.021 4.340 0.002 0.000 0.294 290 R C -0.642 175.502 176.300 -0.260 0.000 1.000 290 R CA -0.517 55.412 56.100 -0.286 0.000 0.960 290 R CB 1.981 31.961 30.300 -0.534 0.000 1.076 290 R HN 0.467 nan 8.270 nan 0.000 0.475 291 S N 0.467 116.106 115.700 -0.101 0.000 2.548 291 S HA 0.411 4.882 4.470 0.002 0.000 0.286 291 S C -0.642 174.046 174.600 0.146 0.000 1.098 291 S CA -0.829 57.356 58.200 -0.025 0.000 0.930 291 S CB 2.024 65.211 63.200 -0.021 0.000 1.070 291 S HN 0.706 nan 8.310 nan 0.000 0.480 292 S N 0.311 116.036 115.700 0.042 0.000 2.766 292 S HA 0.526 4.997 4.470 0.002 0.000 0.307 292 S C 1.030 175.520 174.600 -0.184 0.000 1.121 292 S CA -0.584 57.546 58.200 -0.117 0.000 0.980 292 S CB 0.915 63.836 63.200 -0.466 0.000 1.159 292 S HN 0.544 nan 8.310 nan 0.000 0.546 293 V N 1.244 120.951 119.914 -0.345 0.000 2.688 293 V HA -0.174 3.947 4.120 0.002 0.000 0.256 293 V C 2.031 177.843 176.094 -0.470 0.000 1.084 293 V CA 1.933 63.974 62.300 -0.431 0.000 1.103 293 V CB -1.377 30.074 31.823 -0.620 0.000 0.688 293 V HN 0.878 nan 8.190 nan 0.000 0.480 294 H N 0.330 119.213 119.070 -0.312 0.000 2.284 294 H HA 0.380 4.937 4.556 0.002 0.000 0.304 294 H C 1.148 176.377 175.328 -0.166 0.000 1.069 294 H CA 1.226 57.072 56.048 -0.336 0.000 1.327 294 H CB -0.061 29.439 29.762 -0.437 0.000 1.387 294 H HN 0.583 nan 8.280 nan 0.000 0.498 295 G N -0.259 108.564 108.800 0.039 0.000 2.336 295 G HA2 0.147 4.108 3.960 0.002 0.000 0.286 295 G HA3 0.147 4.108 3.960 0.002 0.000 0.286 295 G C -2.938 171.988 174.900 0.042 0.000 1.269 295 G CA -1.060 44.066 45.100 0.042 0.000 0.873 295 G HN -0.086 nan 8.290 nan 0.000 0.494 296 P HA 0.365 nan 4.420 nan 0.000 0.265 296 P C -0.320 176.968 177.300 -0.020 0.000 1.187 296 P CA -0.104 62.980 63.100 -0.027 0.000 0.766 296 P CB 1.014 32.736 31.700 0.036 0.000 0.820 297 V N 4.368 124.126 119.914 -0.259 0.000 2.459 297 V HA 0.461 4.582 4.120 0.002 0.000 0.295 297 V C -0.195 175.660 176.094 -0.398 0.000 1.029 297 V CA -0.155 62.020 62.300 -0.207 0.000 0.874 297 V CB 0.574 32.190 31.823 -0.345 0.000 0.985 297 V HN 0.355 nan 8.190 nan 0.000 0.438 298 F N 1.743 121.642 119.950 -0.085 0.000 2.579 298 F HA 0.603 5.131 4.527 0.002 0.000 0.324 298 F C 0.171 175.936 175.800 -0.058 0.000 1.058 298 F CA -0.960 57.000 58.000 -0.066 0.000 0.944 298 F CB 1.820 40.795 39.000 -0.043 0.000 1.245 298 F HN 0.444 nan 8.300 nan 0.000 0.477 299 E N 1.930 122.210 120.200 0.134 0.000 2.165 299 E HA 0.428 4.779 4.350 0.002 0.000 0.266 299 E C -0.760 175.884 176.600 0.074 0.000 0.889 299 E CA -0.697 55.744 56.400 0.070 0.000 0.756 299 E CB 1.105 30.817 29.700 0.022 0.000 1.131 299 E HN 0.560 nan 8.360 nan 0.000 0.411 300 R N 2.028 122.560 120.500 0.053 0.000 2.637 300 R HA 0.295 4.636 4.340 0.002 0.000 0.269 300 R C 1.088 177.403 176.300 0.024 0.000 1.089 300 R CA 0.359 56.478 56.100 0.032 0.000 1.177 300 R CB 0.650 30.960 30.300 0.016 0.000 1.091 300 R HN 0.696 nan 8.270 nan 0.000 0.540 301 A N 1.542 124.371 122.820 0.016 0.000 1.940 301 A HA -0.236 4.085 4.320 0.002 0.000 0.219 301 A C 1.387 178.978 177.584 0.012 0.000 1.176 301 A CA 2.186 54.231 52.037 0.013 0.000 0.631 301 A CB -0.704 18.300 19.000 0.008 0.000 0.814 301 A HN 0.900 nan 8.150 nan 0.000 0.446 302 D N -2.350 118.056 120.400 0.010 0.000 2.378 302 D HA 0.266 4.907 4.640 0.002 0.000 0.227 302 D C 1.177 177.486 176.300 0.015 0.000 1.012 302 D CA 1.108 55.114 54.000 0.010 0.000 0.905 302 D CB -0.501 40.303 40.800 0.006 0.000 0.895 302 D HN 0.851 nan 8.370 nan 0.000 0.532 303 G N -1.185 107.627 108.800 0.019 0.000 2.176 303 G HA2 -0.251 3.710 3.960 0.002 0.000 0.232 303 G HA3 -0.251 3.710 3.960 0.002 0.000 0.232 303 G C 0.345 175.263 174.900 0.030 0.000 0.986 303 G CA 0.170 45.285 45.100 0.024 0.000 0.643 303 G HN 0.438 nan 8.290 nan 0.000 0.522 304 T N 1.648 116.219 114.554 0.028 0.000 2.814 304 T HA 0.570 4.921 4.350 0.002 0.000 0.297 304 T C 0.643 175.369 174.700 0.043 0.000 0.956 304 T CA 0.684 62.804 62.100 0.034 0.000 1.123 304 T CB 1.431 70.312 68.868 0.022 0.000 0.902 304 T HN 1.285 nan 8.240 nan 0.000 0.528 305 A N 4.071 126.924 122.820 0.055 0.000 2.302 305 A HA 0.585 4.906 4.320 0.002 0.000 0.295 305 A C -0.167 177.458 177.584 0.067 0.000 1.235 305 A CA -0.501 51.573 52.037 0.061 0.000 0.876 305 A CB 0.193 19.243 19.000 0.084 0.000 1.133 305 A HN 0.680 nan 8.150 nan 0.000 0.533 306 V N 2.024 121.986 119.914 0.081 0.000 2.604 306 V HA 0.710 4.831 4.120 0.002 0.000 0.305 306 V C 0.358 176.538 176.094 0.143 0.000 1.043 306 V CA -0.324 62.030 62.300 0.089 0.000 0.888 306 V CB 1.713 33.574 31.823 0.063 0.000 0.995 306 V HN 1.130 nan 8.190 nan 0.000 0.429 307 A N 3.821 126.716 122.820 0.126 0.000 2.318 307 A HA 0.807 5.128 4.320 0.002 0.000 0.324 307 A C -0.781 176.937 177.584 0.222 0.000 1.170 307 A CA -0.596 51.539 52.037 0.163 0.000 0.810 307 A CB 1.691 20.747 19.000 0.092 0.000 1.198 307 A HN 0.985 nan 8.150 nan 0.000 0.484 308 V N 3.602 123.663 119.914 0.245 0.000 2.398 308 V HA 0.662 4.783 4.120 0.002 0.000 0.286 308 V C -0.062 176.170 176.094 0.230 0.000 1.026 308 V CA -0.726 61.698 62.300 0.208 0.000 0.868 308 V CB 1.269 33.157 31.823 0.109 0.000 0.982 308 V HN 0.907 nan 8.190 nan 0.000 0.443 309 R N 5.468 126.139 120.500 0.285 0.000 2.320 309 R HA 0.643 4.984 4.340 0.002 0.000 0.319 309 R C -1.651 174.862 176.300 0.355 0.000 0.969 309 R CA -0.468 55.788 56.100 0.260 0.000 0.857 309 R CB 1.615 32.050 30.300 0.226 0.000 1.160 309 R HN 0.645 nan 8.270 nan 0.000 0.491 310 V N 4.089 124.162 119.914 0.264 0.000 2.394 310 V HA 0.480 4.601 4.120 0.002 0.000 0.282 310 V C 0.586 176.869 176.094 0.314 0.000 1.031 310 V CA -0.731 61.721 62.300 0.252 0.000 0.881 310 V CB 1.255 33.157 31.823 0.133 0.000 0.982 310 V HN 0.915 nan 8.190 nan 0.000 0.451 311 A N 3.482 126.492 122.820 0.317 0.000 2.287 311 A HA 0.653 4.974 4.320 0.002 0.000 0.273 311 A C 1.419 179.071 177.584 0.114 0.000 1.091 311 A CA 0.321 52.512 52.037 0.257 0.000 0.817 311 A CB 0.049 19.047 19.000 -0.003 0.000 1.069 311 A HN 2.171 nan 8.150 nan 0.000 0.492 312 G N -0.619 108.240 108.800 0.097 0.000 2.168 312 G HA2 -0.229 3.732 3.960 0.002 0.000 0.257 312 G HA3 -0.229 3.732 3.960 0.002 0.000 0.257 312 G C 0.584 175.513 174.900 0.049 0.000 0.997 312 G CA 0.548 45.679 45.100 0.051 0.000 0.708 312 G HN 0.782 nan 8.290 nan 0.000 0.520 313 L N 0.587 121.851 121.223 0.067 0.000 2.549 313 L HA 0.043 4.384 4.340 0.002 0.000 0.230 313 L C 1.833 178.725 176.870 0.037 0.000 1.162 313 L CA 1.485 56.355 54.840 0.051 0.000 0.834 313 L CB -0.140 41.953 42.059 0.057 0.000 0.947 313 L HN 0.529 nan 8.230 nan 0.000 0.452 314 D N -0.917 119.505 120.400 0.038 0.000 2.559 314 D HA 0.007 4.648 4.640 0.002 0.000 0.234 314 D C 0.240 176.553 176.300 0.021 0.000 1.226 314 D CA -0.279 53.737 54.000 0.028 0.000 0.830 314 D CB 0.310 41.127 40.800 0.030 0.000 1.028 314 D HN 0.044 nan 8.370 nan 0.000 0.492 315 R N 1.872 122.384 120.500 0.020 0.000 2.664 315 R HA 0.264 4.605 4.340 0.002 0.000 0.281 315 R C -1.774 174.537 176.300 0.018 0.000 1.383 315 R CA -1.533 54.576 56.100 0.014 0.000 1.563 315 R CB 0.538 30.844 30.300 0.009 0.000 1.131 315 R HN 0.130 nan 8.270 nan 0.000 0.599 316 P HA -0.002 nan 4.420 nan 0.000 0.242 316 P C 0.519 177.833 177.300 0.022 0.000 1.197 316 P CA 0.366 63.477 63.100 0.018 0.000 0.765 316 P CB 0.612 32.320 31.700 0.014 0.000 0.936 320 E N 1.034 121.307 120.200 0.122 0.000 2.150 320 E HA -0.250 4.101 4.350 0.002 0.000 0.193 320 E C 1.832 178.533 176.600 0.168 0.000 0.985 320 E CA 1.626 58.114 56.400 0.147 0.000 0.814 320 E CB 0.235 29.985 29.700 0.083 0.000 0.752 320 E HN 0.421 nan 8.360 nan 0.000 0.466 321 Q N -0.593 119.269 119.800 0.104 0.000 2.050 321 Q HA -0.213 4.128 4.340 0.002 0.000 0.202 321 Q C 1.744 177.761 176.000 0.028 0.000 0.980 321 Q CA 1.633 57.444 55.803 0.014 0.000 0.840 321 Q CB -0.183 28.514 28.738 -0.068 0.000 0.898 321 Q HN 0.451 nan 8.270 nan 0.000 0.424 322 Y N -0.625 119.711 120.300 0.060 0.000 2.165 322 Y HA -0.282 4.269 4.550 0.002 0.000 0.286 322 Y C 2.046 178.000 175.900 0.089 0.000 1.155 322 Y CA 1.556 59.697 58.100 0.070 0.000 1.164 322 Y CB -0.223 38.286 38.460 0.082 0.000 0.978 322 Y HN 0.268 nan 8.280 nan 0.000 0.513 323 F N 0.980 121.012 119.950 0.136 0.000 2.102 323 F HA -0.177 4.351 4.527 0.002 0.000 0.298 323 F C 1.286 177.077 175.800 -0.015 0.000 1.105 323 F CA 1.134 59.146 58.000 0.019 0.000 1.239 323 F CB -0.543 38.437 39.000 -0.033 0.000 0.991 323 F HN -0.067 nan 8.300 nan 0.000 0.474 327 T N -0.095 114.317 114.554 -0.236 0.000 3.092 327 T HA 0.671 5.022 4.350 0.002 0.000 0.258 327 T C 0.898 175.475 174.700 -0.205 0.000 1.031 327 T CA 0.423 62.327 62.100 -0.326 0.000 0.925 327 T CB 0.103 68.562 68.868 -0.682 0.000 1.036 327 T HN 0.499 nan 8.240 nan 0.000 0.544 328 A N 1.310 124.099 122.820 -0.051 0.000 2.531 328 A HA 0.261 4.582 4.320 0.002 0.000 0.236 328 A C 0.716 178.299 177.584 -0.001 0.000 1.062 328 A CA 0.062 52.137 52.037 0.063 0.000 0.760 328 A CB -0.053 19.058 19.000 0.185 0.000 0.995 328 A HN 0.615 nan 8.150 nan 0.000 0.501 329 H N 0.395 119.505 119.070 0.065 0.000 2.553 329 H HA 0.250 4.807 4.556 0.002 0.000 0.265 329 H C 0.689 176.071 175.328 0.090 0.000 0.964 329 H CA 1.053 57.144 56.048 0.072 0.000 1.156 329 H CB 0.298 30.094 29.762 0.057 0.000 1.411 329 H HN 0.747 nan 8.280 nan 0.000 0.558 330 S N -1.723 114.100 115.700 0.206 0.000 2.570 330 S HA 0.098 4.569 4.470 0.002 0.000 0.270 330 S C 0.319 175.043 174.600 0.207 0.000 1.149 330 S CA -0.912 57.403 58.200 0.191 0.000 0.837 330 S CB 0.537 63.825 63.200 0.148 0.000 1.124 330 S HN 0.018 nan 8.310 nan 0.000 0.465 331 F N 1.890 121.880 119.950 0.067 0.000 2.161 331 F HA -0.025 4.503 4.527 0.002 0.000 0.300 331 F C 1.690 177.487 175.800 -0.005 0.000 1.089 331 F CA 2.033 59.998 58.000 -0.059 0.000 1.282 331 F CB -0.477 38.473 39.000 -0.084 0.000 1.010 331 F HN 0.727 nan 8.300 nan 0.000 0.485 332 D N 0.432 120.791 120.400 -0.068 0.000 2.104 332 D HA -0.196 4.445 4.640 0.002 0.000 0.194 332 D C 1.880 178.080 176.300 -0.167 0.000 0.994 332 D CA 1.723 55.623 54.000 -0.167 0.000 0.830 332 D CB -0.480 40.301 40.800 -0.032 0.000 0.959 332 D HN 0.352 nan 8.370 nan 0.000 0.452 333 D N -0.093 120.275 120.400 -0.053 0.000 2.123 333 D HA -0.183 4.458 4.640 0.002 0.000 0.196 333 D C 1.999 178.250 176.300 -0.082 0.000 0.992 333 D CA 0.656 54.635 54.000 -0.035 0.000 0.833 333 D CB -0.537 40.292 40.800 0.049 0.000 0.954 333 D HN 0.283 nan 8.370 nan 0.000 0.455 334 Y N 2.147 122.320 120.300 -0.212 0.000 2.053 334 Y HA -0.250 4.301 4.550 0.002 0.000 0.277 334 Y C 2.189 177.868 175.900 -0.367 0.000 1.159 334 Y CA 1.925 59.863 58.100 -0.269 0.000 1.125 334 Y CB -0.297 37.949 38.460 -0.357 0.000 0.969 334 Y HN -0.035 nan 8.280 nan 0.000 0.492 335 E N -0.133 119.706 120.200 -0.602 0.000 2.118 335 E HA -0.235 4.116 4.350 0.002 0.000 0.195 335 E C 2.347 178.706 176.600 -0.402 0.000 0.992 335 E CA 0.886 56.918 56.400 -0.614 0.000 0.804 335 E CB -0.367 28.944 29.700 -0.649 0.000 0.741 335 E HN 0.610 nan 8.360 nan 0.000 0.458 336 A N 1.878 124.520 122.820 -0.298 0.000 1.908 336 A HA -0.045 4.276 4.320 0.002 0.000 0.218 336 A C 1.643 179.107 177.584 -0.199 0.000 1.181 336 A CA 1.257 53.176 52.037 -0.196 0.000 0.627 336 A CB -0.559 18.362 19.000 -0.132 0.000 0.818 336 A HN 0.286 nan 8.150 nan 0.000 0.445 343 V N 5.454 125.340 119.914 -0.047 0.000 2.318 343 V HA 0.173 4.294 4.120 0.002 0.000 0.271 343 V C -1.261 174.806 176.094 -0.045 0.000 1.030 343 V CA -0.935 61.362 62.300 -0.006 0.000 0.844 343 V CB 1.328 33.115 31.823 -0.060 0.000 1.015 343 V HN 0.025 nan 8.190 nan 0.000 0.460 344 P HA -0.061 nan 4.420 nan 0.000 0.226 344 P C 0.582 177.757 177.300 -0.209 0.000 1.146 344 P CA 1.165 64.197 63.100 -0.113 0.000 0.773 344 P CB 0.671 32.316 31.700 -0.092 0.000 0.772 345 T N -2.642 111.741 114.554 -0.286 0.000 2.653 345 T HA 0.524 4.875 4.350 0.002 0.000 0.306 345 T C -1.746 172.740 174.700 -0.356 0.000 1.426 345 T CA -0.495 61.334 62.100 -0.451 0.000 1.008 345 T CB 0.054 68.519 68.868 -0.671 0.000 1.692 345 T HN -0.056 nan 8.240 nan 0.000 0.483 346 F N -0.062 119.798 119.950 -0.150 0.000 2.183 346 F HA -0.082 4.446 4.527 0.002 0.000 0.318 346 F C -0.013 175.681 175.800 -0.176 0.000 1.293 346 F CA -0.829 57.106 58.000 -0.108 0.000 0.912 346 F CB -0.224 38.769 39.000 -0.012 0.000 4.135 346 F HN 0.535 nan 8.300 nan 0.000 0.137 347 N N 2.254 121.038 118.700 0.141 0.000 2.473 347 N HA 0.771 5.512 4.740 0.002 0.000 0.291 347 N C -0.886 174.678 175.510 0.090 0.000 1.083 347 N CA -0.404 52.686 53.050 0.065 0.000 0.951 347 N CB 1.777 40.414 38.487 0.250 0.000 1.164 347 N HN 0.442 nan 8.380 nan 0.000 0.480 348 I N 1.289 121.872 120.570 0.022 0.000 2.533 348 I HA 0.345 4.516 4.170 0.002 0.000 0.290 348 I C -0.446 175.766 176.117 0.159 0.000 1.056 348 I CA -0.962 60.389 61.300 0.084 0.000 1.057 348 I CB 2.166 40.207 38.000 0.068 0.000 1.240 348 I HN -0.045 nan 8.210 nan 0.000 0.423 349 V N 5.752 125.802 119.914 0.227 0.000 2.667 349 V HA 0.454 4.575 4.120 0.002 0.000 0.308 349 V C -1.061 175.209 176.094 0.293 0.000 1.048 349 V CA -0.705 61.769 62.300 0.291 0.000 0.928 349 V CB 2.084 34.093 31.823 0.310 0.000 1.004 349 V HN 0.607 nan 8.190 nan 0.000 0.444 350 Y N 2.297 122.661 120.300 0.107 0.000 2.576 350 Y HA 0.853 5.404 4.550 0.002 0.000 0.346 350 Y C -0.380 175.465 175.900 -0.092 0.000 1.018 350 Y CA -0.426 57.646 58.100 -0.046 0.000 1.050 350 Y CB 2.106 40.464 38.460 -0.170 0.000 1.280 350 Y HN 0.860 nan 8.280 nan 0.000 0.474 351 A N 3.548 125.813 122.820 -0.926 0.000 2.582 351 A HA 0.565 4.886 4.320 0.002 0.000 0.297 351 A C -2.129 174.594 177.584 -1.435 0.000 1.059 351 A CA -0.352 51.203 52.037 -0.804 0.000 0.705 351 A CB 1.168 19.969 19.000 -0.331 0.000 1.279 351 A HN 0.846 nan 8.150 nan 0.000 0.404 352 D N -0.383 119.359 120.400 -1.096 0.000 2.652 352 D HA 0.435 5.076 4.640 0.002 0.000 0.285 352 D C 0.781 176.725 176.300 -0.594 0.000 1.173 352 D CA -0.445 52.937 54.000 -1.030 0.000 0.981 352 D CB 0.601 41.084 40.800 -0.530 0.000 1.440 352 D HN 0.514 nan 8.370 nan 0.000 0.485 353 R N -0.500 119.815 120.500 -0.308 0.000 2.280 353 R HA 0.026 4.367 4.340 0.002 0.000 0.207 353 R C 0.401 176.677 176.300 -0.040 0.000 1.043 353 R CA 0.930 57.002 56.100 -0.046 0.000 1.006 353 R CB -0.308 30.028 30.300 0.060 0.000 0.885 353 R HN 0.300 nan 8.270 nan 0.000 0.467 354 E N 0.492 120.652 120.200 -0.066 0.000 2.285 354 E HA 0.060 4.411 4.350 0.002 0.000 0.194 354 E C 1.049 177.624 176.600 -0.042 0.000 0.997 354 E CA 1.255 57.640 56.400 -0.026 0.000 0.845 354 E CB 0.344 30.048 29.700 0.006 0.000 0.782 354 E HN 0.645 nan 8.360 nan 0.000 0.491 355 G N -0.260 108.490 108.800 -0.084 0.000 2.168 355 G HA2 -0.195 3.766 3.960 0.002 0.000 0.197 355 G HA3 -0.195 3.766 3.960 0.002 0.000 0.197 355 G C 0.281 175.121 174.900 -0.100 0.000 0.997 355 G CA 0.062 45.115 45.100 -0.078 0.000 0.658 355 G HN 0.192 nan 8.290 nan 0.000 0.513 356 T N 1.575 116.051 114.554 -0.129 0.000 2.837 356 T HA 0.649 5.000 4.350 0.002 0.000 0.285 356 T C 0.491 175.101 174.700 -0.150 0.000 0.984 356 T CA 0.272 62.265 62.100 -0.178 0.000 1.049 356 T CB 1.475 70.162 68.868 -0.301 0.000 0.947 356 T HN 0.955 nan 8.240 nan 0.000 0.472 357 I N 0.943 121.436 120.570 -0.128 0.000 2.689 357 I HA 0.851 5.022 4.170 0.002 0.000 0.299 357 I C -0.819 175.298 176.117 0.000 0.000 1.059 357 I CA -1.009 60.281 61.300 -0.018 0.000 1.055 357 I CB 2.447 40.457 38.000 0.018 0.000 1.243 357 I HN 0.587 nan 8.210 nan 0.000 0.425 358 N N 2.788 121.577 118.700 0.148 0.000 2.405 358 N HA 0.489 5.230 4.740 0.002 0.000 0.274 358 N C -2.087 173.610 175.510 0.311 0.000 1.170 358 N CA -0.569 52.601 53.050 0.201 0.000 0.848 358 N CB 2.125 40.748 38.487 0.226 0.000 1.629 358 N HN 0.745 nan 8.380 nan 0.000 0.481 359 Y N 1.350 121.770 120.300 0.201 0.000 2.446 359 Y HA 0.756 5.307 4.550 0.002 0.000 0.345 359 Y C -1.513 174.515 175.900 0.213 0.000 0.984 359 Y CA -0.484 57.741 58.100 0.208 0.000 1.058 359 Y CB 2.011 40.583 38.460 0.187 0.000 1.220 359 Y HN 0.486 nan 8.280 nan 0.000 0.455 360 S N 6.103 121.271 115.700 -0.887 0.000 2.668 360 S HA 0.254 4.725 4.470 0.002 0.000 0.277 360 S C -1.608 172.612 174.600 -0.632 0.000 1.170 360 S CA -0.622 57.200 58.200 -0.631 0.000 0.994 360 S CB 0.569 63.651 63.200 -0.196 0.000 1.051 360 S HN 0.634 nan 8.310 nan 0.000 0.484 361 F N 5.319 124.918 119.950 -0.584 0.000 2.619 361 F HA 0.280 4.808 4.527 0.002 0.000 0.350 361 F C 0.598 176.289 175.800 -0.183 0.000 1.259 361 F CA -0.278 57.558 58.000 -0.274 0.000 1.204 361 F CB -0.180 38.720 39.000 -0.167 0.000 1.556 361 F HN 0.542 nan 8.300 nan 0.000 0.650 362 N N 3.185 121.727 118.700 -0.264 0.000 2.493 362 N HA 0.666 5.407 4.740 0.002 0.000 0.275 362 N C -0.144 175.201 175.510 -0.276 0.000 1.186 362 N CA 0.692 53.618 53.050 -0.206 0.000 0.978 362 N CB 1.643 40.039 38.487 -0.152 0.000 1.184 362 N HN 0.756 nan 8.380 nan 0.000 0.487 363 G N -0.212 108.479 108.800 -0.182 0.000 2.347 363 G HA2 0.031 3.992 3.960 0.002 0.000 0.321 363 G HA3 0.031 3.992 3.960 0.002 0.000 0.321 363 G C -1.763 173.072 174.900 -0.109 0.000 1.412 363 G CA -0.732 44.258 45.100 -0.182 0.000 0.990 363 G HN 0.407 nan 8.290 nan 0.000 0.637 364 V N 1.088 120.940 119.914 -0.104 0.000 2.318 364 V HA 0.653 4.774 4.120 0.002 0.000 0.271 364 V C 0.798 176.833 176.094 -0.099 0.000 1.030 364 V CA 0.201 62.458 62.300 -0.073 0.000 0.844 364 V CB 0.679 32.464 31.823 -0.064 0.000 1.015 364 V HN 1.647 nan 8.190 nan 0.000 0.460 365 A N 7.807 130.599 122.820 -0.046 0.000 2.288 365 A HA 0.852 5.173 4.320 0.002 0.000 0.320 365 A C -2.711 174.784 177.584 -0.148 0.000 1.217 365 A CA -1.905 50.085 52.037 -0.077 0.000 0.840 365 A CB 0.981 20.031 19.000 0.083 0.000 1.179 365 A HN 0.591 nan 8.150 nan 0.000 0.504 366 P HA 0.094 nan 4.420 nan 0.000 0.268 366 P C -0.543 176.434 177.300 -0.539 0.000 1.205 366 P CA 0.123 62.754 63.100 -0.782 0.000 0.771 366 P CB 0.483 31.047 31.700 -1.893 0.000 0.858 367 K N 3.858 124.037 120.400 -0.368 0.000 2.297 367 K HA 0.330 4.651 4.320 0.002 0.000 0.286 367 K C 0.225 176.700 176.600 -0.208 0.000 1.053 367 K CA -0.084 56.036 56.287 -0.278 0.000 0.940 367 K CB 0.767 33.091 32.500 -0.292 0.000 1.019 367 K HN 0.395 nan 8.250 nan 0.000 0.475 368 R N 0.708 121.106 120.500 -0.170 0.000 2.795 368 R HA 0.354 4.695 4.340 0.002 0.000 0.275 368 R C -0.051 176.420 176.300 0.285 0.000 0.981 368 R CA -0.456 55.595 56.100 -0.081 0.000 0.917 368 R CB 1.721 31.648 30.300 -0.622 0.000 1.202 368 R HN 0.674 nan 8.270 nan 0.000 0.469 369 A N 1.288 124.290 122.820 0.303 0.000 2.303 369 A HA 0.106 4.427 4.320 0.002 0.000 0.217 369 A C -0.076 177.697 177.584 0.314 0.000 1.205 369 A CA 0.457 52.662 52.037 0.281 0.000 0.875 369 A CB -0.025 19.093 19.000 0.198 0.000 0.910 369 A HN 0.754 nan 8.150 nan 0.000 0.501 370 E N -2.693 117.774 120.200 0.445 0.000 2.401 370 E HA 0.503 4.854 4.350 0.002 0.000 0.280 370 E C -0.246 176.691 176.600 0.562 0.000 1.039 370 E CA -0.761 55.871 56.400 0.386 0.000 0.814 370 E CB 0.783 30.627 29.700 0.239 0.000 1.275 370 E HN 1.329 nan 8.360 nan 0.000 0.448 371 G N 2.118 111.101 108.800 0.305 0.000 3.190 371 G HA2 0.024 3.985 3.960 0.002 0.000 0.686 371 G HA3 0.024 3.985 3.960 0.002 0.000 0.686 371 G C -0.745 174.497 174.900 0.571 0.000 1.033 371 G CA -0.287 44.963 45.100 0.250 0.000 0.797 371 G HN 0.940 nan 8.290 nan 0.000 0.567 372 D N 1.339 121.965 120.400 0.377 0.000 2.377 372 D HA 0.395 5.036 4.640 0.002 0.000 0.245 372 D C 1.875 178.493 176.300 0.530 0.000 1.196 372 D CA -0.403 53.833 54.000 0.394 0.000 0.962 372 D CB 0.744 41.688 40.800 0.241 0.000 1.127 372 D HN 0.628 nan 8.370 nan 0.000 0.471 373 I N -0.082 120.754 120.570 0.443 0.000 2.194 373 I HA -0.339 3.832 4.170 0.002 0.000 0.246 373 I C 2.061 178.373 176.117 0.325 0.000 1.093 373 I CA 1.900 63.452 61.300 0.420 0.000 1.355 373 I CB -0.261 37.925 38.000 0.310 0.000 1.046 373 I HN 0.536 nan 8.210 nan 0.000 0.413 374 A N 0.562 123.532 122.820 0.250 0.000 1.908 374 A HA -0.311 4.010 4.320 0.002 0.000 0.218 374 A C 2.189 179.855 177.584 0.137 0.000 1.181 374 A CA 2.008 54.145 52.037 0.168 0.000 0.627 374 A CB -1.246 17.841 19.000 0.144 0.000 0.818 374 A HN 0.634 nan 8.150 nan 0.000 0.445 375 F N -0.799 119.152 119.950 0.003 0.000 2.095 375 F HA -0.175 4.353 4.527 0.002 0.000 0.298 375 F C 1.818 177.434 175.800 -0.306 0.000 1.104 375 F CA 1.603 59.486 58.000 -0.195 0.000 1.232 375 F CB -0.591 38.226 39.000 -0.304 0.000 0.987 375 F HN 0.381 nan 8.300 nan 0.000 0.475 376 W N 0.639 121.892 121.300 -0.078 0.000 2.699 376 W HA 0.007 4.668 4.660 0.002 0.000 0.249 376 W C 2.160 178.559 176.519 -0.200 0.000 1.280 376 W CA 0.621 57.833 57.345 -0.222 0.000 1.345 376 W CB -0.491 28.941 29.460 -0.045 0.000 1.128 376 W HN 0.116 nan 8.180 nan 0.000 0.642 377 Q N -0.390 119.425 119.800 0.024 0.000 2.424 377 Q HA 0.125 4.466 4.340 0.002 0.000 0.204 377 Q C 1.333 177.279 176.000 -0.090 0.000 0.933 377 Q CA 0.453 56.255 55.803 -0.001 0.000 0.929 377 Q CB 0.145 28.908 28.738 0.042 0.000 1.037 377 Q HN 0.176 nan 8.270 nan 0.000 0.511 378 G N 0.322 109.007 108.800 -0.191 0.000 2.613 378 G HA2 0.229 4.190 3.960 0.002 0.000 0.303 378 G HA3 0.229 4.190 3.960 0.002 0.000 0.303 378 G C -0.768 173.943 174.900 -0.315 0.000 1.312 378 G CA -0.797 44.176 45.100 -0.213 0.000 1.036 378 G HN 0.105 nan 8.290 nan 0.000 0.513 379 N N -0.286 118.260 118.700 -0.256 0.000 2.416 379 N HA 0.198 4.939 4.740 0.002 0.000 0.271 379 N C -0.139 175.124 175.510 -0.411 0.000 1.245 379 N CA -0.327 52.563 53.050 -0.267 0.000 0.940 379 N CB 0.860 39.255 38.487 -0.153 0.000 1.175 379 N HN 0.074 nan 8.380 nan 0.000 0.483 380 V N 4.736 124.314 119.914 -0.560 0.000 2.649 380 V HA 0.188 4.309 4.120 0.002 0.000 0.292 380 V C -1.890 173.999 176.094 -0.342 0.000 1.055 380 V CA -1.763 60.088 62.300 -0.748 0.000 1.023 380 V CB 1.190 32.431 31.823 -0.970 0.000 0.992 380 V HN 0.538 nan 8.190 nan 0.000 0.480 381 P HA 0.089 nan 4.420 nan 0.000 0.263 381 P C 0.467 177.934 177.300 0.277 0.000 1.195 381 P CA 0.416 63.512 63.100 -0.008 0.000 0.762 381 P CB 0.414 32.119 31.700 0.009 0.000 0.799 382 G N 2.392 111.340 108.800 0.247 0.000 4.125 382 G HA2 0.133 4.094 3.960 0.002 0.000 0.301 382 G HA3 0.133 4.094 3.960 0.002 0.000 0.301 382 G C -0.017 175.168 174.900 0.475 0.000 1.273 382 G CA -0.280 44.957 45.100 0.228 0.000 1.095 382 G HN 0.512 nan 8.290 nan 0.000 0.582 383 D N -1.326 119.341 120.400 0.446 0.000 2.582 383 D HA 0.158 4.799 4.640 0.002 0.000 0.246 383 D C 0.155 176.528 176.300 0.121 0.000 1.334 383 D CA -0.339 53.888 54.000 0.377 0.000 0.805 383 D CB 0.375 41.321 40.800 0.243 0.000 1.087 383 D HN 0.070 nan 8.370 nan 0.000 0.499 384 S N -0.280 115.478 115.700 0.098 0.000 2.543 384 S HA 0.352 4.823 4.470 0.002 0.000 0.271 384 S C 0.562 175.041 174.600 -0.201 0.000 1.148 384 S CA -0.070 57.993 58.200 -0.228 0.000 0.914 384 S CB 1.475 64.648 63.200 -0.044 0.000 1.096 384 S HN 0.072 nan 8.310 nan 0.000 0.471 385 S N 3.784 119.217 115.700 -0.446 0.000 2.595 385 S HA -0.033 4.438 4.470 0.002 0.000 0.235 385 S C 1.597 176.179 174.600 -0.029 0.000 0.974 385 S CA 0.523 58.674 58.200 -0.082 0.000 0.942 385 S CB -0.386 62.767 63.200 -0.079 0.000 0.766 385 S HN 0.764 nan 8.310 nan 0.000 0.536 386 R N 0.509 120.910 120.500 -0.165 0.000 2.115 386 R HA -0.053 4.288 4.340 0.002 0.000 0.230 386 R C 0.765 176.950 176.300 -0.192 0.000 1.111 386 R CA 1.343 57.267 56.100 -0.293 0.000 0.976 386 R CB -0.225 29.706 30.300 -0.616 0.000 0.870 386 R HN 0.636 nan 8.270 nan 0.000 0.445 387 Y N -0.333 120.192 120.300 0.375 0.000 2.485 387 Y HA 0.185 4.736 4.550 0.002 0.000 0.260 387 Y C 0.023 176.304 175.900 0.635 0.000 1.173 387 Y CA -0.711 57.763 58.100 0.624 0.000 1.252 387 Y CB 0.583 39.435 38.460 0.654 0.000 1.123 387 Y HN -0.012 nan 8.280 nan 0.000 0.524 388 L N 3.658 125.133 121.223 0.421 0.000 2.389 388 L HA 0.191 4.532 4.340 0.002 0.000 0.265 388 L C 0.322 177.238 176.870 0.077 0.000 1.167 388 L CA -0.971 53.964 54.840 0.157 0.000 1.045 388 L CB -0.418 41.688 42.059 0.078 0.000 1.351 388 L HN 0.168 nan 8.230 nan 0.000 0.419 389 W N 2.618 124.066 121.300 0.246 0.000 2.112 389 W HA 0.352 5.013 4.660 0.002 0.000 0.349 389 W C 0.293 176.851 176.519 0.066 0.000 1.289 389 W CA 0.003 57.403 57.345 0.093 0.000 1.256 389 W CB -0.213 29.224 29.460 -0.039 0.000 1.148 389 W HN 0.594 nan 8.180 nan 0.000 0.590 390 T N -3.475 111.282 114.554 0.338 0.000 3.131 390 T HA 0.181 4.532 4.350 0.002 0.000 0.283 390 T C -0.032 174.806 174.700 0.230 0.000 0.906 390 T CA -0.215 62.013 62.100 0.213 0.000 0.882 390 T CB 0.372 69.290 68.868 0.084 0.000 1.208 390 T HN 0.497 nan 8.240 nan 0.000 0.561 391 E N 1.814 122.139 120.200 0.209 0.000 2.320 391 E HA 0.600 4.951 4.350 0.002 0.000 0.264 391 E C -0.832 175.769 176.600 0.001 0.000 0.923 391 E CA -0.799 55.650 56.400 0.082 0.000 0.796 391 E CB 2.272 31.980 29.700 0.012 0.000 1.262 391 E HN 0.450 nan 8.360 nan 0.000 0.428 392 T N -2.010 112.514 114.554 -0.050 0.000 2.916 392 T HA 0.347 4.698 4.350 0.002 0.000 0.292 392 T C -0.208 174.427 174.700 -0.108 0.000 1.055 392 T CA -0.898 61.143 62.100 -0.099 0.000 1.009 392 T CB 1.229 70.071 68.868 -0.044 0.000 1.118 392 T HN 0.309 nan 8.240 nan 0.000 0.497 393 H N 1.534 120.594 119.070 -0.017 0.000 2.707 393 H HA 0.336 4.893 4.556 0.002 0.000 0.359 393 H C -2.146 173.184 175.328 0.003 0.000 1.113 393 H CA -0.642 55.414 56.048 0.014 0.000 1.422 393 H CB 0.785 30.574 29.762 0.044 0.000 1.443 393 H HN 0.453 nan 8.280 nan 0.000 0.591 394 P HA -0.001 nan 4.420 nan 0.000 0.281 394 P C 0.936 178.274 177.300 0.063 0.000 1.264 394 P CA -0.670 62.471 63.100 0.068 0.000 0.824 394 P CB 1.015 32.746 31.700 0.051 0.000 1.092 395 L N 1.206 122.437 121.223 0.014 0.000 2.129 395 L HA -0.191 4.150 4.340 0.002 0.000 0.212 395 L C 1.176 178.054 176.870 0.012 0.000 1.087 395 L CA 2.042 56.878 54.840 -0.006 0.000 0.757 395 L CB -0.976 41.051 42.059 -0.053 0.000 0.896 395 L HN 0.298 nan 8.230 nan 0.000 0.434 396 D N -0.585 119.828 120.400 0.022 0.000 2.371 396 D HA -0.101 4.540 4.640 0.002 0.000 0.221 396 D C 0.949 177.276 176.300 0.046 0.000 0.986 396 D CA 0.683 54.700 54.000 0.029 0.000 0.899 396 D CB 0.025 40.838 40.800 0.023 0.000 0.902 396 D HN 0.474 nan 8.370 nan 0.000 0.530 397 D N -0.257 120.182 120.400 0.065 0.000 2.349 397 D HA 0.107 4.748 4.640 0.002 0.000 0.214 397 D C 0.602 176.918 176.300 0.028 0.000 1.063 397 D CA 0.083 54.117 54.000 0.056 0.000 0.847 397 D CB 0.800 41.682 40.800 0.137 0.000 0.933 397 D HN 0.201 nan 8.370 nan 0.000 0.513 398 L N 1.051 122.293 121.223 0.031 0.000 2.322 398 L HA 0.401 4.742 4.340 0.002 0.000 0.279 398 L C -2.268 174.566 176.870 -0.061 0.000 1.036 398 L CA -2.201 52.637 54.840 -0.003 0.000 0.807 398 L CB 1.195 43.302 42.059 0.080 0.000 1.226 398 L HN -0.394 nan 8.230 nan 0.000 0.433 399 P HA 0.099 nan 4.420 nan 0.000 0.260 399 P C -1.021 176.256 177.300 -0.039 0.000 1.185 399 P CA 0.434 63.247 63.100 -0.479 0.000 0.763 399 P CB 0.357 31.581 31.700 -0.792 0.000 0.776 400 R N 1.719 122.277 120.500 0.095 0.000 2.707 400 R HA 0.714 5.055 4.340 0.002 0.000 0.272 400 R C -1.510 175.037 176.300 0.411 0.000 1.011 400 R CA -1.067 55.168 56.100 0.224 0.000 0.893 400 R CB 2.126 32.490 30.300 0.106 0.000 1.233 400 R HN 0.115 nan 8.270 nan 0.000 0.464 401 V N 1.006 121.175 119.914 0.425 0.000 2.686 401 V HA 0.531 4.652 4.120 0.002 0.000 0.306 401 V C -0.720 175.515 176.094 0.235 0.000 1.065 401 V CA -0.653 61.856 62.300 0.347 0.000 0.894 401 V CB 2.391 34.420 31.823 0.344 0.000 1.004 401 V HN 0.823 nan 8.190 nan 0.000 0.424 402 T N 3.524 118.168 114.554 0.150 0.000 2.928 402 T HA 0.399 4.750 4.350 0.002 0.000 0.296 402 T C -0.096 174.609 174.700 0.009 0.000 1.000 402 T CA -0.597 61.543 62.100 0.067 0.000 0.989 402 T CB 1.056 69.972 68.868 0.080 0.000 1.005 402 T HN 0.707 nan 8.240 nan 0.000 0.442 403 N N 2.477 121.154 118.700 -0.038 0.000 2.689 403 N HA -0.112 4.629 4.740 0.002 0.000 0.263 403 N C -2.183 173.310 175.510 -0.028 0.000 0.987 403 N CA 0.403 53.427 53.050 -0.043 0.000 0.782 403 N CB -0.786 37.666 38.487 -0.058 0.000 0.903 403 N HN 0.509 nan 8.380 nan 0.000 0.547 404 P HA 0.154 nan 4.420 nan 0.000 0.273 404 P C -1.647 175.613 177.300 -0.065 0.000 1.250 404 P CA -0.966 62.099 63.100 -0.059 0.000 0.793 404 P CB 0.519 32.153 31.700 -0.110 0.000 1.011 405 P HA -0.080 nan 4.420 nan 0.000 0.218 405 P C 1.670 178.941 177.300 -0.049 0.000 1.149 405 P CA 1.653 64.719 63.100 -0.058 0.000 0.817 405 P CB -0.451 31.206 31.700 -0.072 0.000 0.785 406 G N -0.822 107.928 108.800 -0.083 0.000 2.470 406 G HA2 0.028 3.989 3.960 0.002 0.000 0.220 406 G HA3 0.028 3.989 3.960 0.002 0.000 0.220 406 G C 1.199 176.145 174.900 0.077 0.000 1.121 406 G CA 0.721 45.805 45.100 -0.027 0.000 0.766 406 G HN 0.454 nan 8.290 nan 0.000 0.553 407 G N -1.461 107.345 108.800 0.010 0.000 2.136 407 G HA2 0.012 3.973 3.960 0.002 0.000 0.242 407 G HA3 0.012 3.973 3.960 0.002 0.000 0.242 407 G C 0.144 175.155 174.900 0.184 0.000 0.989 407 G CA 0.455 45.602 45.100 0.079 0.000 0.682 407 G HN 1.693 nan 8.290 nan 0.000 0.522 408 F N -2.326 117.629 119.950 0.007 0.000 2.842 408 F HA 0.712 5.240 4.527 0.002 0.000 0.319 408 F C -0.779 175.061 175.800 0.067 0.000 1.159 408 F CA -1.033 56.980 58.000 0.022 0.000 0.902 408 F CB 0.803 39.786 39.000 -0.029 0.000 1.311 408 F HN 0.878 nan 8.300 nan 0.000 0.453 409 V N 0.420 120.450 119.914 0.194 0.000 3.078 409 V HA 0.993 5.114 4.120 0.002 0.000 0.311 409 V C -1.432 174.932 176.094 0.449 0.000 1.138 409 V CA -0.570 61.809 62.300 0.132 0.000 1.007 409 V CB 1.431 33.374 31.823 0.201 0.000 1.045 409 V HN 1.577 nan 8.190 nan 0.000 0.432 410 Q N 1.244 121.245 119.800 0.336 0.000 2.578 410 Q HA 0.634 4.975 4.340 0.002 0.000 0.284 410 Q C -1.664 174.474 176.000 0.229 0.000 0.960 410 Q CA -0.540 55.532 55.803 0.450 0.000 0.809 410 Q CB 1.659 30.783 28.738 0.642 0.000 1.462 410 Q HN 1.025 nan 8.270 nan 0.000 0.392 411 N N 0.219 119.076 118.700 0.262 0.000 2.521 411 N HA 0.348 5.089 4.740 0.002 0.000 0.269 411 N C -1.544 174.059 175.510 0.156 0.000 1.079 411 N CA -0.286 52.861 53.050 0.162 0.000 0.980 411 N CB 2.024 40.626 38.487 0.190 0.000 1.667 411 N HN 0.626 nan 8.380 nan 0.000 0.498 412 S N 2.264 118.034 115.700 0.117 0.000 2.617 412 S HA 0.282 4.753 4.470 0.002 0.000 0.237 412 S C 0.220 174.863 174.600 0.071 0.000 1.142 412 S CA -0.453 57.800 58.200 0.088 0.000 1.167 412 S CB -0.571 62.709 63.200 0.134 0.000 1.068 412 S HN 0.815 nan 8.310 nan 0.000 0.470 413 N N 1.801 120.546 118.700 0.074 0.000 2.909 413 N HA -0.153 4.588 4.740 0.002 0.000 0.242 413 N C -0.686 174.836 175.510 0.020 0.000 0.975 413 N CA 1.189 54.281 53.050 0.070 0.000 0.921 413 N CB -0.760 37.779 38.487 0.087 0.000 1.112 413 N HN 0.653 nan 8.380 nan 0.000 0.581 414 D N 0.285 120.663 120.400 -0.036 0.000 2.312 414 D HA 0.343 4.984 4.640 0.002 0.000 0.248 414 D C -2.485 173.672 176.300 -0.239 0.000 1.086 414 D CA -1.505 52.386 54.000 -0.182 0.000 0.948 414 D CB 0.262 40.873 40.800 -0.315 0.000 1.162 414 D HN -0.137 nan 8.370 nan 0.000 0.446 415 P HA 0.047 nan 4.420 nan 0.000 0.266 415 P C -1.760 175.229 177.300 -0.518 0.000 1.193 415 P CA -0.674 62.215 63.100 -0.351 0.000 0.770 415 P CB -0.053 31.550 31.700 -0.162 0.000 0.836 416 P HA -0.069 nan 4.420 nan 0.000 0.269 416 P C 0.003 177.073 177.300 -0.384 0.000 1.376 416 P CA 0.746 63.522 63.100 -0.541 0.000 0.775 416 P CB -0.457 30.940 31.700 -0.505 0.000 1.345 417 W N -0.422 120.986 121.300 0.180 0.000 3.256 417 W HA 0.137 4.798 4.660 0.002 0.000 0.269 417 W C 0.340 176.991 176.519 0.220 0.000 1.310 417 W CA -0.172 57.324 57.345 0.252 0.000 1.673 417 W CB 0.163 29.840 29.460 0.361 0.000 1.115 417 W HN -0.085 nan 8.180 nan 0.000 0.686 418 T N 0.754 115.509 114.554 0.334 0.000 3.839 418 T HA 0.076 4.427 4.350 0.002 0.000 0.230 418 T C -1.723 173.034 174.700 0.095 0.000 1.095 418 T CA -0.655 61.623 62.100 0.297 0.000 1.470 418 T CB 0.657 69.790 68.868 0.440 0.000 0.881 418 T HN -0.151 nan 8.240 nan 0.000 0.637 419 P HA 0.087 nan 4.420 nan 0.000 0.229 419 P C 0.526 177.719 177.300 -0.179 0.000 1.160 419 P CA 0.837 63.772 63.100 -0.275 0.000 0.777 419 P CB 0.541 31.909 31.700 -0.554 0.000 0.814 420 T N -2.054 112.413 114.554 -0.145 0.000 2.749 420 T HA 0.392 4.743 4.350 0.002 0.000 0.310 420 T C -2.723 171.993 174.700 0.028 0.000 1.496 420 T CA -0.697 61.175 62.100 -0.380 0.000 1.006 420 T CB 1.060 69.620 68.868 -0.514 0.000 1.457 420 T HN -0.034 nan 8.240 nan 0.000 0.497 421 W N 5.008 126.139 121.300 -0.282 0.000 2.647 421 W HA 0.446 5.106 4.660 0.002 0.000 0.328 421 W C -2.582 173.918 176.519 -0.031 0.000 1.018 421 W CA -2.065 55.266 57.345 -0.024 0.000 1.245 421 W CB 1.876 31.438 29.460 0.171 0.000 1.356 421 W HN 0.582 nan 8.180 nan 0.000 0.443 422 P HA 0.062 nan 4.420 nan 0.000 0.272 422 P C 0.118 177.212 177.300 -0.343 0.000 1.230 422 P CA 0.088 62.794 63.100 -0.657 0.000 0.788 422 P CB 1.469 32.840 31.700 -0.548 0.000 0.949 423 V N -0.609 119.106 119.914 -0.330 0.000 3.376 423 V HA 0.255 4.376 4.120 0.002 0.000 0.303 423 V C 1.226 177.189 176.094 -0.217 0.000 1.100 423 V CA 0.860 63.036 62.300 -0.208 0.000 1.126 423 V CB -0.369 31.373 31.823 -0.135 0.000 1.085 423 V HN 0.814 nan 8.190 nan 0.000 0.480 424 T N -1.802 112.599 114.554 -0.256 0.000 3.091 424 T HA 0.452 4.803 4.350 0.002 0.000 0.277 424 T C -0.090 174.649 174.700 0.065 0.000 0.996 424 T CA 0.480 62.525 62.100 -0.092 0.000 0.897 424 T CB -0.493 68.376 68.868 0.001 0.000 1.109 424 T HN 1.453 nan 8.240 nan 0.000 0.534 425 Y N -0.909 119.456 120.300 0.109 0.000 2.925 425 Y HA 0.684 5.235 4.550 0.002 0.000 0.349 425 Y C -1.172 174.817 175.900 0.149 0.000 1.342 425 Y CA -2.179 56.002 58.100 0.135 0.000 1.093 425 Y CB 0.346 38.950 38.460 0.240 0.000 1.571 425 Y HN 0.438 nan 8.280 nan 0.000 0.438 426 C N -2.598 116.975 119.300 0.456 0.000 3.311 426 C HA 0.624 5.085 4.460 0.002 0.000 0.325 426 C C -2.172 172.761 174.990 -0.096 0.000 1.352 426 C CA -1.777 57.344 59.018 0.172 0.000 1.308 426 C CB 1.572 29.317 27.740 0.008 0.000 1.619 426 C HN 0.673 nan 8.230 nan 0.000 0.469 427 P HA -0.233 nan 4.420 nan 0.000 0.222 427 P C 1.664 178.749 177.300 -0.358 0.000 1.155 427 P CA 3.587 66.070 63.100 -1.029 0.000 0.890 427 P CB -0.070 31.045 31.700 -0.975 0.000 0.790 428 A N -1.268 121.422 122.820 -0.217 0.000 2.125 428 A HA -0.200 4.121 4.320 0.002 0.000 0.219 428 A C 1.808 179.322 177.584 -0.116 0.000 1.156 428 A CA 1.614 53.575 52.037 -0.127 0.000 0.671 428 A CB -1.484 17.459 19.000 -0.095 0.000 0.794 428 A HN 0.341 nan 8.150 nan 0.000 0.459 429 N N -0.931 117.692 118.700 -0.127 0.000 2.461 429 N HA 0.024 4.765 4.740 0.002 0.000 0.188 429 N C -0.306 174.862 175.510 -0.571 0.000 1.134 429 N CA 0.130 53.003 53.050 -0.295 0.000 0.878 429 N CB 0.123 38.423 38.487 -0.311 0.000 0.972 429 N HN 0.587 nan 8.380 nan 0.000 0.456 430 H N -0.299 118.709 119.070 -0.103 0.000 2.928 430 H HA 0.275 4.832 4.556 0.002 0.000 0.371 430 H C -2.440 172.782 175.328 -0.177 0.000 1.186 430 H CA -1.775 54.195 56.048 -0.130 0.000 1.134 430 H CB 1.480 31.191 29.762 -0.086 0.000 1.824 430 H HN -0.067 nan 8.280 nan 0.000 0.554 431 P HA -0.050 nan 4.420 nan 0.000 0.266 431 P C 0.852 177.936 177.300 -0.360 0.000 1.195 431 P CA -0.001 62.861 63.100 -0.396 0.000 0.768 431 P CB 0.804 32.005 31.700 -0.832 0.000 0.838 432 S N 1.739 117.320 115.700 -0.199 0.000 2.584 432 S HA -0.183 4.288 4.470 0.002 0.000 0.240 432 S C 1.282 175.951 174.600 0.115 0.000 0.975 432 S CA 0.500 58.699 58.200 -0.001 0.000 0.949 432 S CB -1.218 62.029 63.200 0.078 0.000 0.761 432 S HN 0.591 nan 8.310 nan 0.000 0.536 433 Y N -0.449 119.960 120.300 0.181 0.000 2.457 433 Y HA 0.531 5.082 4.550 0.002 0.000 0.263 433 Y C 1.396 177.368 175.900 0.119 0.000 1.164 433 Y CA -1.265 56.949 58.100 0.190 0.000 1.274 433 Y CB -0.630 37.923 38.460 0.156 0.000 1.097 433 Y HN 0.137 nan 8.280 nan 0.000 0.523 434 L N 0.658 121.986 121.223 0.175 0.000 2.007 434 L HA 0.188 4.529 4.340 0.002 0.000 0.205 434 L C 1.238 178.234 176.870 0.210 0.000 1.073 434 L CA 1.049 55.991 54.840 0.171 0.000 0.744 434 L CB -0.444 41.557 42.059 -0.096 0.000 0.898 434 L HN 0.372 nan 8.230 nan 0.000 0.435 435 A N -1.507 121.388 122.820 0.125 0.000 2.479 435 A HA 0.702 5.023 4.320 0.002 0.000 0.296 435 A C -2.562 175.176 177.584 0.257 0.000 1.121 435 A CA -1.234 50.892 52.037 0.149 0.000 0.743 435 A CB 1.052 19.939 19.000 -0.188 0.000 1.323 435 A HN -0.104 nan 8.150 nan 0.000 0.415 436 P HA 0.437 nan 4.420 nan 0.000 0.276 436 P C -0.849 176.694 177.300 0.404 0.000 1.261 436 P CA -0.214 63.043 63.100 0.260 0.000 0.800 436 P CB 0.508 32.314 31.700 0.177 0.000 1.066 437 Q N -0.430 119.581 119.800 0.352 0.000 2.318 437 Q HA 0.192 4.533 4.340 0.002 0.000 0.371 437 Q C -0.398 175.773 176.000 0.284 0.000 0.896 437 Q CA -0.213 55.838 55.803 0.412 0.000 1.134 437 Q CB 0.326 29.235 28.738 0.284 0.000 1.329 437 Q HN 0.517 nan 8.270 nan 0.000 0.413 438 T N -2.882 111.786 114.554 0.189 0.000 2.902 438 T HA 0.505 4.856 4.350 0.002 0.000 0.280 438 T C -2.525 172.016 174.700 -0.265 0.000 0.992 438 T CA -2.245 59.876 62.100 0.034 0.000 1.015 438 T CB 1.106 69.993 68.868 0.032 0.000 1.044 438 T HN -0.104 nan 8.240 nan 0.000 0.520 439 P HA 0.077 nan 4.420 nan 0.000 0.261 439 P C -0.150 176.653 177.300 -0.829 0.000 1.183 439 P CA 0.085 62.413 63.100 -1.288 0.000 0.761 439 P CB -0.124 31.237 31.700 -0.566 0.000 0.785 440 H N 0.451 118.811 119.070 -1.183 0.000 2.815 440 H HA 0.141 4.698 4.556 0.002 0.000 0.350 440 H C 1.065 176.263 175.328 -0.216 0.000 1.080 440 H CA -0.684 55.129 56.048 -0.391 0.000 1.433 440 H CB 0.612 30.323 29.762 -0.084 0.000 1.432 440 H HN 0.472 nan 8.280 nan 0.000 0.592 441 S N 2.780 118.512 115.700 0.054 0.000 2.576 441 S HA -0.021 4.450 4.470 0.002 0.000 0.272 441 S C 1.433 176.119 174.600 0.144 0.000 1.352 441 S CA -0.715 57.541 58.200 0.093 0.000 1.021 441 S CB 0.615 63.883 63.200 0.113 0.000 0.887 441 S HN 0.586 nan 8.310 nan 0.000 0.542 442 L N 0.857 122.181 121.223 0.168 0.000 2.131 442 L HA -0.077 4.264 4.340 0.002 0.000 0.210 442 L C 2.978 179.971 176.870 0.204 0.000 1.092 442 L CA 1.670 56.623 54.840 0.188 0.000 0.759 442 L CB -0.595 41.592 42.059 0.213 0.000 0.903 442 L HN 0.834 nan 8.230 nan 0.000 0.435 443 R N 0.708 121.335 120.500 0.213 0.000 2.092 443 R HA -0.135 4.206 4.340 0.002 0.000 0.231 443 R C 2.330 178.797 176.300 0.279 0.000 1.119 443 R CA 1.321 57.569 56.100 0.247 0.000 0.970 443 R CB -0.177 30.241 30.300 0.195 0.000 0.864 443 R HN 0.286 nan 8.270 nan 0.000 0.440 444 A N 0.760 123.713 122.820 0.221 0.000 1.930 444 A HA -0.167 4.154 4.320 0.002 0.000 0.217 444 A C 2.022 179.745 177.584 0.230 0.000 1.175 444 A CA 1.255 53.425 52.037 0.223 0.000 0.627 444 A CB -0.350 18.739 19.000 0.149 0.000 0.815 444 A HN 0.508 nan 8.150 nan 0.000 0.443 445 Q N -0.948 118.977 119.800 0.209 0.000 2.079 445 Q HA -0.170 4.171 4.340 0.002 0.000 0.200 445 Q C 2.225 178.290 176.000 0.108 0.000 0.974 445 Q CA 1.268 57.166 55.803 0.158 0.000 0.840 445 Q CB -0.180 28.651 28.738 0.155 0.000 0.898 445 Q HN 0.583 nan 8.270 nan 0.000 0.430 446 Q N 0.005 119.893 119.800 0.147 0.000 2.170 446 Q HA -0.136 4.205 4.340 0.002 0.000 0.203 446 Q C 2.155 178.196 176.000 0.069 0.000 0.976 446 Q CA 1.114 56.981 55.803 0.106 0.000 0.858 446 Q CB -0.225 28.622 28.738 0.182 0.000 0.907 446 Q HN 0.237 nan 8.270 nan 0.000 0.433 447 S N -0.223 115.602 115.700 0.208 0.000 2.348 447 S HA -0.108 4.363 4.470 0.002 0.000 0.221 447 S C 2.022 176.668 174.600 0.076 0.000 1.033 447 S CA 1.305 59.670 58.200 0.277 0.000 1.010 447 S CB -0.069 63.449 63.200 0.531 0.000 0.891 447 S HN 0.201 nan 8.310 nan 0.000 0.442 448 V N 2.209 122.165 119.914 0.071 0.000 2.407 448 V HA -0.107 4.014 4.120 0.002 0.000 0.248 448 V C 2.688 178.666 176.094 -0.194 0.000 1.055 448 V CA 1.830 64.121 62.300 -0.015 0.000 1.049 448 V CB -0.721 31.087 31.823 -0.025 0.000 0.662 448 V HN 0.415 nan 8.190 nan 0.000 0.455 449 R N -0.703 119.690 120.500 -0.178 0.000 2.073 449 R HA 0.046 4.387 4.340 0.002 0.000 0.229 449 R C 1.127 177.265 176.300 -0.270 0.000 1.120 449 R CA 0.588 56.564 56.100 -0.206 0.000 0.967 449 R CB -0.272 29.944 30.300 -0.140 0.000 0.862 449 R HN 0.358 nan 8.270 nan 0.000 0.436 453 E N 1.690 121.781 120.200 -0.182 0.000 2.482 453 E HA 0.227 4.578 4.350 0.002 0.000 0.196 453 E C -0.325 176.189 176.600 -0.144 0.000 1.047 453 E CA 0.168 56.489 56.400 -0.133 0.000 0.869 453 E CB 0.106 29.721 29.700 -0.141 0.000 0.836 453 E HN 0.455 nan 8.360 nan 0.000 0.520 454 N N 0.871 119.453 118.700 -0.197 0.000 2.321 454 N HA 0.192 4.933 4.740 0.002 0.000 0.299 454 N C -1.154 174.268 175.510 -0.146 0.000 1.048 454 N CA -0.335 52.610 53.050 -0.176 0.000 0.836 454 N CB 2.023 40.376 38.487 -0.222 0.000 1.269 454 N HN -0.068 nan 8.380 nan 0.000 0.486 455 D N -0.806 119.531 120.400 -0.105 0.000 2.585 455 D HA 0.180 4.821 4.640 0.002 0.000 0.254 455 D C -0.615 175.639 176.300 -0.077 0.000 1.067 455 D CA -0.237 53.716 54.000 -0.080 0.000 1.090 455 D CB 1.193 41.960 40.800 -0.054 0.000 1.408 455 D HN 0.436 nan 8.370 nan 0.000 0.554 456 D N 0.732 121.093 120.400 -0.064 0.000 2.720 456 D HA -0.194 4.447 4.640 0.002 0.000 0.229 456 D C -0.686 175.571 176.300 -0.072 0.000 1.198 456 D CA 0.376 54.339 54.000 -0.062 0.000 0.639 456 D CB -0.465 40.304 40.800 -0.052 0.000 1.003 456 D HN 0.288 nan 8.370 nan 0.000 0.411 457 L N 0.627 121.799 121.223 -0.085 0.000 2.417 457 L HA 0.259 4.600 4.340 0.002 0.000 0.268 457 L C 1.486 178.303 176.870 -0.088 0.000 1.158 457 L CA 0.108 54.896 54.840 -0.086 0.000 0.819 457 L CB 1.221 43.225 42.059 -0.091 0.000 1.112 457 L HN 0.176 nan 8.230 nan 0.000 0.458 458 T N -1.192 113.319 114.554 -0.071 0.000 2.942 458 T HA 0.313 4.664 4.350 0.002 0.000 0.289 458 T C 0.617 175.282 174.700 -0.058 0.000 1.044 458 T CA -0.879 61.178 62.100 -0.072 0.000 1.023 458 T CB 1.553 70.385 68.868 -0.060 0.000 1.123 458 T HN 0.397 nan 8.240 nan 0.000 0.512 459 L N 0.999 122.181 121.223 -0.068 0.000 2.012 459 L HA 0.003 4.344 4.340 0.002 0.000 0.210 459 L C 2.333 179.193 176.870 -0.017 0.000 1.073 459 L CA 2.031 56.850 54.840 -0.034 0.000 0.748 459 L CB -1.330 40.710 42.059 -0.033 0.000 0.891 459 L HN 0.829 nan 8.230 nan 0.000 0.431 460 E N -0.429 119.726 120.200 -0.075 0.000 2.070 460 E HA -0.272 4.079 4.350 0.002 0.000 0.197 460 E C 2.318 178.839 176.600 -0.132 0.000 1.004 460 E CA 1.616 57.939 56.400 -0.129 0.000 0.805 460 E CB -0.382 29.251 29.700 -0.112 0.000 0.744 460 E HN 0.341 nan 8.360 nan 0.000 0.451 461 R N 0.056 120.504 120.500 -0.086 0.000 2.115 461 R HA -0.019 4.323 4.340 0.002 0.000 0.230 461 R C 0.612 176.854 176.300 -0.097 0.000 1.111 461 R CA 0.467 56.507 56.100 -0.099 0.000 0.976 461 R CB -0.687 29.567 30.300 -0.077 0.000 0.870 461 R HN 0.140 nan 8.270 nan 0.000 0.445 465 L N 0.725 121.693 121.223 -0.424 0.000 2.201 465 L HA -0.135 4.206 4.340 0.002 0.000 0.212 465 L C 2.598 179.337 176.870 -0.218 0.000 1.105 465 L CA 1.593 56.266 54.840 -0.279 0.000 0.775 465 L CB -0.148 41.745 42.059 -0.277 0.000 0.913 465 L HN 0.574 nan 8.230 nan 0.000 0.440 466 Q N 0.506 120.080 119.800 -0.377 0.000 2.291 466 Q HA -0.159 4.182 4.340 0.002 0.000 0.205 466 Q C 1.886 177.955 176.000 0.115 0.000 0.970 466 Q CA 1.449 57.129 55.803 -0.205 0.000 0.876 466 Q CB -0.039 28.448 28.738 -0.419 0.000 0.935 466 Q HN 0.574 nan 8.270 nan 0.000 0.455 467 F N 0.627 120.555 119.950 -0.037 0.000 2.811 467 F HA 0.077 4.605 4.527 0.002 0.000 0.301 467 F C 1.021 176.750 175.800 -0.118 0.000 1.151 467 F CA -0.815 57.157 58.000 -0.047 0.000 1.412 467 F CB 0.252 39.194 39.000 -0.096 0.000 1.113 467 F HN -0.198 nan 8.300 nan 0.000 0.579 468 S N 0.890 116.654 115.700 0.106 0.000 2.563 468 S HA -0.124 4.347 4.470 0.002 0.000 0.294 468 S C 0.312 175.030 174.600 0.196 0.000 1.279 468 S CA 0.086 58.320 58.200 0.056 0.000 1.069 468 S CB -0.393 62.855 63.200 0.080 0.000 0.828 468 S HN 0.505 nan 8.310 nan 0.000 0.497 469 H N 0.328 119.530 119.070 0.220 0.000 2.716 469 H HA 0.465 5.022 4.556 0.002 0.000 0.230 469 H C -0.165 175.297 175.328 0.225 0.000 1.401 469 H CA -0.977 55.244 56.048 0.288 0.000 1.168 469 H CB 0.199 30.152 29.762 0.318 0.000 1.935 469 H HN 0.282 nan 8.280 nan 0.000 0.538 470 R N 1.771 122.450 120.500 0.298 0.000 2.389 470 R HA 0.357 4.698 4.340 0.002 0.000 0.295 470 R C 0.035 176.340 176.300 0.008 0.000 1.075 470 R CA 0.031 56.165 56.100 0.057 0.000 1.005 470 R CB 0.625 30.942 30.300 0.030 0.000 0.987 470 R HN 0.575 nan 8.270 nan 0.000 0.452 471 A N 5.541 128.139 122.820 -0.369 0.000 3.118 471 A HA 0.252 4.573 4.320 0.002 0.000 0.256 471 A C 0.128 177.597 177.584 -0.193 0.000 1.667 471 A CA -0.636 51.176 52.037 -0.375 0.000 1.338 471 A CB -0.590 17.783 19.000 -1.046 0.000 1.127 471 A HN 0.572 nan 8.150 nan 0.000 0.634 475 D N 0.643 120.977 120.400 -0.110 0.000 2.228 475 D HA -0.145 4.496 4.640 0.002 0.000 0.203 475 D C 1.629 178.013 176.300 0.140 0.000 0.988 475 D CA 1.068 55.055 54.000 -0.022 0.000 0.864 475 D CB -0.072 40.710 40.800 -0.029 0.000 0.928 475 D HN 0.329 nan 8.370 nan 0.000 0.469 476 R N -0.217 120.399 120.500 0.193 0.000 2.210 476 R HA 0.045 4.386 4.340 0.002 0.000 0.203 476 R C 2.009 178.350 176.300 0.069 0.000 1.010 476 R CA 0.897 57.157 56.100 0.267 0.000 1.008 476 R CB -0.255 30.260 30.300 0.358 0.000 0.923 476 R HN 0.364 nan 8.270 nan 0.000 0.469 477 T N -3.267 111.338 114.554 0.086 0.000 2.989 477 T HA 0.215 4.566 4.350 0.002 0.000 0.250 477 T C 1.995 176.617 174.700 -0.131 0.000 0.981 477 T CA -0.314 61.763 62.100 -0.040 0.000 0.980 477 T CB -0.199 68.654 68.868 -0.025 0.000 1.133 477 T HN -0.061 nan 8.240 nan 0.000 0.489 478 L N 1.384 122.548 121.223 -0.098 0.000 2.043 478 L HA -0.016 4.325 4.340 0.002 0.000 0.212 478 L C -0.589 176.217 176.870 -0.107 0.000 1.075 478 L CA 1.721 56.476 54.840 -0.141 0.000 0.752 478 L CB -1.727 40.259 42.059 -0.121 0.000 0.891 478 L HN 0.259 nan 8.230 nan 0.000 0.432 479 P HA -0.147 nan 4.420 nan 0.000 0.218 479 P C 0.798 178.084 177.300 -0.023 0.000 1.148 479 P CA 1.386 64.480 63.100 -0.010 0.000 0.822 479 P CB 0.061 31.805 31.700 0.073 0.000 0.784 480 D N -2.102 118.264 120.400 -0.057 0.000 2.277 480 D HA 0.000 4.641 4.640 0.002 0.000 0.209 480 D C 1.682 177.940 176.300 -0.070 0.000 0.970 480 D CA 0.337 54.309 54.000 -0.047 0.000 0.874 480 D CB -0.574 40.197 40.800 -0.048 0.000 0.982 480 D HN 0.012 nan 8.370 nan 0.000 0.504 481 L N 0.862 121.998 121.223 -0.145 0.000 2.007 481 L HA -0.065 4.276 4.340 0.002 0.000 0.205 481 L C 1.912 178.688 176.870 -0.157 0.000 1.073 481 L CA 1.167 55.885 54.840 -0.203 0.000 0.744 481 L CB -0.511 41.267 42.059 -0.469 0.000 0.898 481 L HN -0.103 nan 8.230 nan 0.000 0.435 482 I N 1.124 121.602 120.570 -0.153 0.000 2.091 482 I HA -0.268 3.903 4.170 0.002 0.000 0.240 482 I C -0.091 175.987 176.117 -0.065 0.000 1.046 482 I CA 2.287 63.525 61.300 -0.104 0.000 1.306 482 I CB -3.070 34.881 38.000 -0.082 0.000 1.018 482 I HN 0.301 nan 8.210 nan 0.000 0.404 483 P HA -0.171 nan 4.420 nan 0.000 0.214 483 P C 1.615 178.902 177.300 -0.021 0.000 1.163 483 P CA 2.426 65.510 63.100 -0.026 0.000 0.883 483 P CB -0.072 31.619 31.700 -0.014 0.000 0.788 484 A N 0.604 123.411 122.820 -0.021 0.000 1.940 484 A HA -0.084 4.237 4.320 0.002 0.000 0.219 484 A C 2.523 180.101 177.584 -0.011 0.000 1.176 484 A CA 2.338 54.370 52.037 -0.008 0.000 0.631 484 A CB -1.576 17.425 19.000 0.002 0.000 0.814 484 A HN 0.268 nan 8.150 nan 0.000 0.446 485 A N -0.662 122.139 122.820 -0.032 0.000 2.067 485 A HA 0.111 4.432 4.320 0.002 0.000 0.219 485 A C 2.022 179.593 177.584 -0.021 0.000 1.158 485 A CA 1.147 53.166 52.037 -0.030 0.000 0.661 485 A CB -0.463 18.498 19.000 -0.066 0.000 0.801 485 A HN 0.470 nan 8.150 nan 0.000 0.452 486 L N -0.113 121.097 121.223 -0.022 0.000 2.291 486 L HA -0.042 4.299 4.340 0.002 0.000 0.214 486 L C 2.083 178.949 176.870 -0.007 0.000 1.120 486 L CA 0.908 55.739 54.840 -0.015 0.000 0.799 486 L CB -0.328 41.721 42.059 -0.017 0.000 0.925 486 L HN 0.646 nan 8.230 nan 0.000 0.446 487 I N -4.009 116.559 120.570 -0.003 0.000 3.684 487 I HA 0.083 4.254 4.170 0.002 0.000 0.304 487 I C 0.608 176.728 176.117 0.005 0.000 1.278 487 I CA -0.120 61.181 61.300 0.002 0.000 1.272 487 I CB -0.284 37.719 38.000 0.005 0.000 1.029 487 I HN 0.041 nan 8.210 nan 0.000 0.458 488 D N 3.720 124.123 120.400 0.005 0.000 2.350 488 D HA 0.110 4.751 4.640 0.002 0.000 0.249 488 D C -1.302 175.003 176.300 0.008 0.000 1.119 488 D CA -1.609 52.397 54.000 0.010 0.000 0.886 488 D CB 1.865 42.672 40.800 0.012 0.000 1.195 488 D HN 0.043 nan 8.370 nan 0.000 0.437 489 P HA -0.123 nan 4.420 nan 0.000 0.220 489 P C 0.361 177.666 177.300 0.008 0.000 1.148 489 P CA 0.485 63.590 63.100 0.008 0.000 0.803 489 P CB 0.225 31.931 31.700 0.009 0.000 0.782 490 D N 1.635 122.041 120.400 0.010 0.000 2.349 490 D HA 0.005 4.646 4.640 0.002 0.000 0.266 490 D C -0.974 175.330 176.300 0.007 0.000 1.293 490 D CA -1.871 52.135 54.000 0.010 0.000 0.926 490 D CB 0.811 41.619 40.800 0.014 0.000 1.090 490 D HN 0.133 nan 8.370 nan 0.000 0.502 491 P HA -0.188 nan 4.420 nan 0.000 0.220 491 P C 1.079 178.380 177.300 0.002 0.000 1.144 491 P CA 0.963 64.065 63.100 0.003 0.000 0.800 491 P CB 0.414 32.116 31.700 0.002 0.000 0.772 492 E N 0.034 120.238 120.200 0.005 0.000 2.158 492 E HA -0.071 4.280 4.350 0.002 0.000 0.191 492 E C 1.888 178.491 176.600 0.006 0.000 0.982 492 E CA 0.521 56.924 56.400 0.006 0.000 0.823 492 E CB -0.269 29.437 29.700 0.011 0.000 0.766 492 E HN -0.048 nan 8.360 nan 0.000 0.468 493 V N 1.152 121.071 119.914 0.008 0.000 2.427 493 V HA -0.239 3.882 4.120 0.002 0.000 0.248 493 V C 2.276 178.366 176.094 -0.006 0.000 1.051 493 V CA 1.894 64.198 62.300 0.006 0.000 1.048 493 V CB -0.480 31.350 31.823 0.011 0.000 0.666 493 V HN 0.309 nan 8.190 nan 0.000 0.456 494 Q N -0.080 119.717 119.800 -0.005 0.000 2.046 494 Q HA -0.127 4.214 4.340 0.002 0.000 0.200 494 Q C 2.450 178.442 176.000 -0.013 0.000 0.975 494 Q CA 1.749 57.546 55.803 -0.010 0.000 0.836 494 Q CB -0.425 28.309 28.738 -0.006 0.000 0.896 494 Q HN 0.657 nan 8.270 nan 0.000 0.428 495 A N 1.051 123.866 122.820 -0.009 0.000 1.933 495 A HA -0.147 4.174 4.320 0.002 0.000 0.218 495 A C 2.280 179.855 177.584 -0.014 0.000 1.175 495 A CA 1.616 53.646 52.037 -0.010 0.000 0.628 495 A CB -0.818 18.178 19.000 -0.007 0.000 0.814 495 A HN 0.405 nan 8.150 nan 0.000 0.444 496 A N -0.115 122.697 122.820 -0.013 0.000 1.902 496 A HA 0.156 4.477 4.320 0.002 0.000 0.217 496 A C 2.503 180.069 177.584 -0.030 0.000 1.181 496 A CA 2.068 54.095 52.037 -0.017 0.000 0.623 496 A CB -1.012 17.983 19.000 -0.008 0.000 0.818 496 A HN 1.075 nan 8.150 nan 0.000 0.443 497 A N -0.222 122.577 122.820 -0.036 0.000 1.933 497 A HA -0.169 4.152 4.320 0.002 0.000 0.218 497 A C 2.253 179.816 177.584 -0.035 0.000 1.175 497 A CA 1.529 53.536 52.037 -0.049 0.000 0.628 497 A CB -0.436 18.534 19.000 -0.049 0.000 0.814 497 A HN 0.562 nan 8.150 nan 0.000 0.444 498 R N -1.292 119.193 120.500 -0.024 0.000 2.090 498 R HA -0.023 4.318 4.340 0.002 0.000 0.228 498 R C 2.089 178.382 176.300 -0.012 0.000 1.110 498 R CA 1.145 57.235 56.100 -0.018 0.000 0.973 498 R CB -0.508 29.784 30.300 -0.015 0.000 0.869 498 R HN 0.489 nan 8.270 nan 0.000 0.440 499 L N 1.315 122.528 121.223 -0.017 0.000 2.017 499 L HA -0.143 4.198 4.340 0.002 0.000 0.208 499 L C 1.957 178.824 176.870 -0.006 0.000 1.073 499 L CA 1.690 56.517 54.840 -0.022 0.000 0.745 499 L CB -0.455 41.580 42.059 -0.040 0.000 0.894 499 L HN 0.107 nan 8.230 nan 0.000 0.432 500 L N -0.534 120.689 121.223 -0.000 0.000 2.017 500 L HA -0.175 4.166 4.340 0.002 0.000 0.208 500 L C 2.643 179.566 176.870 0.088 0.000 1.073 500 L CA 1.261 56.135 54.840 0.056 0.000 0.745 500 L CB -0.974 41.105 42.059 0.033 0.000 0.894 500 L HN 0.385 nan 8.230 nan 0.000 0.432 501 A N -0.179 122.653 122.820 0.021 0.000 2.070 501 A HA -0.082 4.239 4.320 0.002 0.000 0.220 501 A C 2.299 179.891 177.584 0.012 0.000 1.159 501 A CA 1.578 53.615 52.037 -0.001 0.000 0.656 501 A CB -0.503 18.484 19.000 -0.022 0.000 0.800 501 A HN 0.421 nan 8.150 nan 0.000 0.453 502 A N -2.160 120.683 122.820 0.038 0.000 2.218 502 A HA 0.241 4.562 4.320 0.002 0.000 0.209 502 A C 0.581 178.220 177.584 0.092 0.000 1.168 502 A CA -0.245 51.814 52.037 0.037 0.000 0.804 502 A CB -0.328 18.686 19.000 0.022 0.000 0.834 502 A HN 0.642 nan 8.150 nan 0.000 0.482 503 W N 2.589 123.815 121.300 -0.123 0.000 2.216 503 W HA 0.341 5.002 4.660 0.002 0.000 0.326 503 W C 0.062 176.475 176.519 -0.177 0.000 1.319 503 W CA -0.559 56.692 57.345 -0.157 0.000 1.213 503 W CB 0.723 30.066 29.460 -0.194 0.000 1.171 503 W HN 0.383 nan 8.180 nan 0.000 0.557 504 D N 4.094 124.358 120.400 -0.228 0.000 2.324 504 D HA -0.084 4.557 4.640 0.002 0.000 0.235 504 D C 0.576 176.368 176.300 -0.845 0.000 1.095 504 D CA 0.051 53.806 54.000 -0.409 0.000 0.871 504 D CB -0.344 40.331 40.800 -0.208 0.000 0.906 504 D HN 0.650 nan 8.370 nan 0.000 0.522 505 R N -0.655 118.745 120.500 -1.834 0.000 3.641 505 R HA -0.133 4.208 4.340 0.002 0.000 0.286 505 R C -0.873 174.525 176.300 -1.502 0.000 1.153 505 R CA 0.962 55.709 56.100 -2.255 0.000 0.775 505 R CB -1.971 27.591 30.300 -1.229 0.000 1.215 505 R HN 0.310 nan 8.270 nan 0.000 0.474 506 D N -0.246 119.514 120.400 -1.066 0.000 2.498 506 D HA 0.193 4.834 4.640 0.002 0.000 0.247 506 D C -0.217 175.820 176.300 -0.438 0.000 1.070 506 D CA -0.587 53.065 54.000 -0.580 0.000 0.842 506 D CB 0.733 41.356 40.800 -0.295 0.000 1.361 506 D HN -0.042 nan 8.370 nan 0.000 0.484 507 F N 1.958 121.695 119.950 -0.356 0.000 2.678 507 F HA 0.056 4.584 4.527 0.002 0.000 0.358 507 F C 1.483 176.853 175.800 -0.718 0.000 1.256 507 F CA -0.210 57.453 58.000 -0.561 0.000 1.278 507 F CB -0.164 38.589 39.000 -0.413 0.000 1.681 507 F HN 0.026 nan 8.300 nan 0.000 0.661 508 T N -3.227 111.104 114.554 -0.371 0.000 2.927 508 T HA 0.206 4.557 4.350 0.002 0.000 0.281 508 T C 1.328 176.009 174.700 -0.032 0.000 0.998 508 T CA -0.834 61.153 62.100 -0.188 0.000 1.019 508 T CB 1.725 70.540 68.868 -0.089 0.000 1.061 508 T HN 0.209 nan 8.240 nan 0.000 0.518 509 S N 1.091 116.835 115.700 0.074 0.000 2.383 509 S HA -0.119 4.352 4.470 0.002 0.000 0.229 509 S C 1.642 176.289 174.600 0.078 0.000 1.030 509 S CA 1.432 59.705 58.200 0.121 0.000 1.002 509 S CB -0.476 62.764 63.200 0.067 0.000 0.829 509 S HN 0.965 nan 8.310 nan 0.000 0.467 510 D N 0.853 121.274 120.400 0.034 0.000 2.340 510 D HA 0.074 4.715 4.640 0.002 0.000 0.220 510 D C 0.412 176.705 176.300 -0.011 0.000 1.039 510 D CA 0.036 54.043 54.000 0.011 0.000 0.866 510 D CB -0.360 40.445 40.800 0.007 0.000 0.913 510 D HN 0.155 nan 8.370 nan 0.000 0.523 511 S N 0.397 116.083 115.700 -0.023 0.000 2.481 511 S HA 0.100 4.571 4.470 0.002 0.000 0.282 511 S C 0.996 175.495 174.600 -0.169 0.000 1.243 511 S CA -0.482 57.648 58.200 -0.117 0.000 1.078 511 S CB 0.442 63.520 63.200 -0.203 0.000 0.916 511 S HN 0.155 nan 8.310 nan 0.000 0.495 512 R N 3.366 123.750 120.500 -0.194 0.000 2.297 512 R HA 0.152 4.493 4.340 0.002 0.000 0.197 512 R C 1.739 177.877 176.300 -0.269 0.000 0.943 512 R CA 0.766 56.760 56.100 -0.177 0.000 1.038 512 R CB 0.029 30.262 30.300 -0.112 0.000 0.957 512 R HN 0.696 nan 8.270 nan 0.000 0.484 513 A N 0.442 122.958 122.820 -0.506 0.000 2.085 513 A HA 0.265 4.586 4.320 0.002 0.000 0.208 513 A C 2.136 179.230 177.584 -0.815 0.000 1.191 513 A CA 0.643 52.303 52.037 -0.628 0.000 0.799 513 A CB -0.005 18.572 19.000 -0.704 0.000 0.877 513 A HN 0.240 nan 8.150 nan 0.000 0.473 514 A N 0.921 123.113 122.820 -1.047 0.000 1.870 514 A HA -0.235 4.086 4.320 0.002 0.000 0.219 514 A C 2.107 179.686 177.584 -0.007 0.000 1.224 514 A CA 1.924 53.584 52.037 -0.629 0.000 0.650 514 A CB -1.016 17.821 19.000 -0.271 0.000 0.836 514 A HN 0.488 nan 8.150 nan 0.000 0.454 515 L N -1.339 119.896 121.223 0.020 0.000 1.990 515 L HA -0.237 4.104 4.340 0.002 0.000 0.213 515 L C 2.636 179.529 176.870 0.038 0.000 1.072 515 L CA 1.666 56.476 54.840 -0.050 0.000 0.755 515 L CB -0.751 41.038 42.059 -0.450 0.000 0.889 515 L HN 0.536 nan 8.230 nan 0.000 0.432 516 L N -0.499 120.720 121.223 -0.006 0.000 2.043 516 L HA -0.277 4.064 4.340 0.002 0.000 0.212 516 L C 2.381 179.344 176.870 0.155 0.000 1.075 516 L CA 1.767 56.647 54.840 0.067 0.000 0.752 516 L CB -0.693 41.374 42.059 0.013 0.000 0.891 516 L HN 0.122 nan 8.230 nan 0.000 0.432 517 F N 0.620 120.584 119.950 0.023 0.000 2.134 517 F HA -0.194 4.334 4.527 0.002 0.000 0.299 517 F C 2.273 178.270 175.800 0.329 0.000 1.097 517 F CA 2.018 60.122 58.000 0.173 0.000 1.264 517 F CB -0.307 38.779 39.000 0.143 0.000 1.001 517 F HN 0.266 nan 8.300 nan 0.000 0.479 518 E N -0.138 120.202 120.200 0.233 0.000 2.038 518 E HA -0.229 4.122 4.350 0.002 0.000 0.195 518 E C 2.073 178.782 176.600 0.183 0.000 1.000 518 E CA 1.408 57.922 56.400 0.191 0.000 0.803 518 E CB -0.332 29.591 29.700 0.371 0.000 0.750 518 E HN 0.372 nan 8.360 nan 0.000 0.448 519 E N 0.217 120.540 120.200 0.205 0.000 2.130 519 E HA -0.217 4.134 4.350 0.002 0.000 0.196 519 E C 1.607 178.285 176.600 0.131 0.000 0.998 519 E CA 0.923 57.429 56.400 0.177 0.000 0.806 519 E CB -0.371 29.442 29.700 0.187 0.000 0.738 519 E HN 0.433 nan 8.360 nan 0.000 0.459 520 W N 1.392 122.660 121.300 -0.054 0.000 2.379 520 W HA -0.070 4.591 4.660 0.002 0.000 0.307 520 W C 2.455 178.934 176.519 -0.067 0.000 1.200 520 W CA 2.185 59.478 57.345 -0.086 0.000 1.297 520 W CB -0.536 28.822 29.460 -0.170 0.000 1.140 520 W HN 0.040 nan 8.180 nan 0.000 0.507 521 A N 0.925 123.622 122.820 -0.204 0.000 1.940 521 A HA -0.237 4.084 4.320 0.002 0.000 0.219 521 A C 2.012 179.622 177.584 0.044 0.000 1.176 521 A CA 1.988 53.906 52.037 -0.199 0.000 0.631 521 A CB -0.845 18.058 19.000 -0.160 0.000 0.814 521 A HN 0.427 nan 8.150 nan 0.000 0.446 522 R N -0.685 119.910 120.500 0.159 0.000 2.117 522 R HA -0.126 4.215 4.340 0.002 0.000 0.243 522 R C 1.922 178.130 176.300 -0.155 0.000 1.143 522 R CA 1.695 57.779 56.100 -0.027 0.000 0.968 522 R CB -0.475 29.794 30.300 -0.051 0.000 0.863 522 R HN 0.566 nan 8.270 nan 0.000 0.444 523 L N -1.370 119.731 121.223 -0.204 0.000 2.162 523 L HA -0.026 4.315 4.340 0.002 0.000 0.205 523 L C 2.145 178.825 176.870 -0.316 0.000 1.086 523 L CA 0.476 55.175 54.840 -0.236 0.000 0.778 523 L CB -0.299 41.638 42.059 -0.204 0.000 0.928 523 L HN 0.086 nan 8.230 nan 0.000 0.446 524 F N 1.039 120.568 119.950 -0.703 0.000 2.259 524 F HA 0.027 4.555 4.527 0.002 0.000 0.298 524 F C 1.811 177.326 175.800 -0.475 0.000 1.088 524 F CA 1.015 58.549 58.000 -0.776 0.000 1.358 524 F CB 0.152 38.219 39.000 -1.555 0.000 1.040 524 F HN -0.046 nan 8.300 nan 0.000 0.505 525 A N -0.091 122.554 122.820 -0.291 0.000 2.609 525 A HA 0.597 4.918 4.320 0.002 0.000 0.286 525 A C 0.746 178.256 177.584 -0.123 0.000 1.138 525 A CA 0.279 52.194 52.037 -0.204 0.000 0.960 525 A CB -0.845 18.207 19.000 0.087 0.000 1.208 525 A HN 0.849 nan 8.150 nan 0.000 0.541 526 G N -0.698 107.992 108.800 -0.184 0.000 2.758 526 G HA2 -0.161 3.800 3.960 0.002 0.000 0.686 526 G HA3 -0.161 3.800 3.960 0.002 0.000 0.686 526 G C 0.301 175.019 174.900 -0.304 0.000 1.389 526 G CA -0.079 44.904 45.100 -0.195 0.000 0.845 526 G HN 0.114 nan 8.290 nan 0.000 0.572 527 Q N 0.424 120.029 119.800 -0.326 0.000 2.226 527 Q HA -0.125 4.216 4.340 0.002 0.000 0.204 527 Q C 2.317 177.871 176.000 -0.744 0.000 0.975 527 Q CA 2.036 57.547 55.803 -0.486 0.000 0.866 527 Q CB -0.209 28.347 28.738 -0.304 0.000 0.915 527 Q HN 0.839 nan 8.270 nan 0.000 0.440 528 N N -0.878 117.534 118.700 -0.479 0.000 2.336 528 N HA -0.071 4.670 4.740 0.002 0.000 0.189 528 N C 0.066 175.457 175.510 -0.198 0.000 1.113 528 N CA -0.020 52.812 53.050 -0.364 0.000 0.858 528 N CB -0.449 37.956 38.487 -0.135 0.000 0.970 528 N HN 0.199 nan 8.380 nan 0.000 0.471 529 F N -1.803 118.120 119.950 -0.045 0.000 2.914 529 F HA -0.322 4.206 4.527 0.002 0.000 0.304 529 F C 1.375 177.220 175.800 0.075 0.000 0.712 529 F CA 0.369 58.376 58.000 0.012 0.000 1.211 529 F CB -1.653 37.373 39.000 0.043 0.000 1.515 529 F HN 0.298 nan 8.300 nan 0.000 0.350 530 A N 0.539 123.460 122.820 0.167 0.000 2.195 530 A HA 0.475 4.797 4.320 0.002 0.000 0.210 530 A C 1.700 179.360 177.584 0.126 0.000 1.165 530 A CA 0.632 52.757 52.037 0.147 0.000 0.806 530 A CB -0.554 18.498 19.000 0.087 0.000 0.847 530 A HN 0.510 nan 8.150 nan 0.000 0.482 531 G N -0.711 108.130 108.800 0.068 0.000 2.391 531 G HA2 0.292 4.253 3.960 0.002 0.000 0.234 531 G HA3 0.292 4.253 3.960 0.002 0.000 0.234 531 G C 0.446 175.408 174.900 0.103 0.000 1.284 531 G CA -0.144 44.964 45.100 0.013 0.000 0.873 531 G HN 0.311 nan 8.290 nan 0.000 0.549 532 Q N 1.585 121.451 119.800 0.111 0.000 2.369 532 Q HA 0.108 4.449 4.340 0.002 0.000 0.254 532 Q C 2.595 178.698 176.000 0.172 0.000 0.858 532 Q CA 0.564 56.544 55.803 0.296 0.000 0.961 532 Q CB 0.188 29.072 28.738 0.244 0.000 1.119 532 Q HN 0.693 nan 8.270 nan 0.000 0.538 533 A N 1.284 124.100 122.820 -0.006 0.000 2.204 533 A HA -0.073 4.248 4.320 0.002 0.000 0.220 533 A C 1.849 179.340 177.584 -0.155 0.000 1.165 533 A CA 1.694 53.700 52.037 -0.053 0.000 0.671 533 A CB -0.272 18.681 19.000 -0.078 0.000 0.792 533 A HN 0.270 nan 8.150 nan 0.000 0.473 534 A N -1.751 120.818 122.820 -0.418 0.000 2.387 534 A HA 0.565 4.886 4.320 0.002 0.000 0.234 534 A C 0.192 177.571 177.584 -0.341 0.000 1.253 534 A CA -0.502 51.175 52.037 -0.599 0.000 0.894 534 A CB -0.093 18.054 19.000 -1.422 0.000 0.963 534 A HN 0.301 nan 8.150 nan 0.000 0.508 535 F N -1.529 118.441 119.950 0.033 0.000 2.377 535 F HA 0.507 5.035 4.527 0.002 0.000 0.328 535 F C 1.532 177.414 175.800 0.137 0.000 1.094 535 F CA 0.042 58.155 58.000 0.188 0.000 1.093 535 F CB 1.375 40.489 39.000 0.190 0.000 1.214 535 F HN 0.081 nan 8.300 nan 0.000 0.518 536 A N 0.704 123.730 122.820 0.342 0.000 1.898 536 A HA 0.065 4.386 4.320 0.002 0.000 0.214 536 A C 0.850 178.565 177.584 0.219 0.000 1.183 536 A CA 0.947 53.118 52.037 0.223 0.000 0.622 536 A CB -0.425 18.679 19.000 0.174 0.000 0.824 536 A HN 0.618 nan 8.150 nan 0.000 0.444 537 T N 2.617 117.325 114.554 0.255 0.000 2.772 537 T HA 0.473 4.824 4.350 0.002 0.000 0.288 537 T C -2.797 172.010 174.700 0.179 0.000 0.994 537 T CA -1.227 60.994 62.100 0.203 0.000 0.951 537 T CB 1.855 70.855 68.868 0.219 0.000 0.933 537 T HN 0.201 nan 8.240 nan 0.000 0.447 538 P HA 0.079 nan 4.420 nan 0.000 0.272 538 P C -0.294 177.085 177.300 0.131 0.000 1.230 538 P CA -0.658 62.536 63.100 0.156 0.000 0.788 538 P CB 0.927 32.716 31.700 0.149 0.000 0.949 539 W N 2.244 123.533 121.300 -0.017 0.000 2.148 539 W HA 0.264 4.925 4.660 0.002 0.000 0.347 539 W C -0.094 176.417 176.519 -0.013 0.000 1.288 539 W CA 1.187 58.511 57.345 -0.035 0.000 1.252 539 W CB 0.448 29.886 29.460 -0.038 0.000 1.156 539 W HN 0.323 nan 8.180 nan 0.000 0.580 540 S N 5.020 120.090 115.700 -1.050 0.000 2.546 540 S HA 0.206 4.677 4.470 0.002 0.000 0.272 540 S C -0.107 173.609 174.600 -1.474 0.000 1.140 540 S CA -0.849 56.788 58.200 -0.939 0.000 0.920 540 S CB 1.086 64.024 63.200 -0.437 0.000 1.083 540 S HN 0.626 nan 8.310 nan 0.000 0.476 541 L N 3.449 123.983 121.223 -1.149 0.000 2.450 541 L HA 0.152 4.493 4.340 0.002 0.000 0.224 541 L C 1.378 178.039 176.870 -0.348 0.000 1.149 541 L CA 1.889 56.291 54.840 -0.729 0.000 0.816 541 L CB -0.376 41.549 42.059 -0.224 0.000 0.932 541 L HN 0.729 nan 8.230 nan 0.000 0.449 542 D N -0.245 119.962 120.400 -0.322 0.000 2.323 542 D HA -0.034 4.607 4.640 0.002 0.000 0.209 542 D C 0.622 176.852 176.300 -0.118 0.000 0.973 542 D CA 0.759 54.670 54.000 -0.147 0.000 0.874 542 D CB 0.270 40.995 40.800 -0.125 0.000 0.930 542 D HN 0.358 nan 8.370 nan 0.000 0.521 543 K N 0.819 121.065 120.400 -0.257 0.000 3.146 543 K HA 0.146 4.467 4.320 0.002 0.000 0.168 543 K C -2.017 174.399 176.600 -0.306 0.000 1.075 543 K CA -0.988 55.179 56.287 -0.201 0.000 0.843 543 K CB 2.289 34.685 32.500 -0.174 0.000 1.002 543 K HN -0.099 nan 8.250 nan 0.000 0.597 544 P HA -0.158 nan 4.420 nan 0.000 0.219 544 P C 0.956 178.293 177.300 0.062 0.000 1.146 544 P CA 1.263 64.289 63.100 -0.123 0.000 0.808 544 P CB 0.127 31.805 31.700 -0.035 0.000 0.779 545 V N -3.530 116.334 119.914 -0.084 0.000 3.319 545 V HA 0.348 4.469 4.120 0.002 0.000 0.317 545 V C 0.990 177.072 176.094 -0.019 0.000 1.411 545 V CA 0.585 62.860 62.300 -0.042 0.000 1.112 545 V CB -0.606 31.114 31.823 -0.172 0.000 1.031 545 V HN 0.188 nan 8.190 nan 0.000 0.448 546 S N -0.607 115.080 115.700 -0.021 0.000 3.082 546 S HA 0.379 4.850 4.470 0.002 0.000 0.253 546 S C 0.380 174.989 174.600 0.015 0.000 0.961 546 S CA 0.366 58.557 58.200 -0.015 0.000 1.129 546 S CB 0.125 63.287 63.200 -0.064 0.000 1.083 546 S HN 0.929 nan 8.310 nan 0.000 0.605 547 T N -0.304 114.280 114.554 0.051 0.000 2.900 547 T HA 0.703 5.054 4.350 0.002 0.000 0.303 547 T C -3.521 171.306 174.700 0.212 0.000 1.142 547 T CA -1.898 60.243 62.100 0.069 0.000 1.007 547 T CB 2.137 70.958 68.868 -0.079 0.000 1.156 547 T HN -0.038 nan 8.240 nan 0.000 0.490 548 P HA 0.346 nan 4.420 nan 0.000 0.274 548 P C -1.516 175.739 177.300 -0.075 0.000 1.256 548 P CA -0.298 62.704 63.100 -0.164 0.000 0.795 548 P CB 0.578 31.914 31.700 -0.606 0.000 1.038 549 Y N -0.894 119.407 120.300 0.002 0.000 2.571 549 Y HA 0.488 5.039 4.550 0.002 0.000 0.341 549 Y C 0.038 176.136 175.900 0.330 0.000 1.076 549 Y CA 0.624 58.823 58.100 0.165 0.000 1.029 549 Y CB 1.589 40.106 38.460 0.095 0.000 1.308 549 Y HN 0.978 nan 8.280 nan 0.000 0.461 550 G N 1.367 109.611 108.800 -0.927 0.000 2.846 550 G HA2 -0.073 3.888 3.960 0.002 0.000 0.660 550 G HA3 -0.073 3.888 3.960 0.002 0.000 0.660 550 G C -1.882 173.054 174.900 0.060 0.000 1.464 550 G CA -0.511 44.254 45.100 -0.559 0.000 0.891 550 G HN 1.058 nan 8.290 nan 0.000 0.552 551 V N 1.982 121.927 119.914 0.051 0.000 2.394 551 V HA 0.438 4.559 4.120 0.002 0.000 0.282 551 V C 1.711 177.911 176.094 0.177 0.000 1.031 551 V CA 0.314 62.733 62.300 0.199 0.000 0.881 551 V CB 1.365 33.270 31.823 0.136 0.000 0.982 551 V HN 0.941 nan 8.190 nan 0.000 0.451 552 R N 2.519 123.139 120.500 0.200 0.000 2.062 552 R HA -0.048 4.293 4.340 0.002 0.000 0.229 552 R C 0.523 176.891 176.300 0.115 0.000 1.128 552 R CA 1.317 57.500 56.100 0.138 0.000 0.960 552 R CB 0.268 30.634 30.300 0.110 0.000 0.855 552 R HN 0.778 nan 8.270 nan 0.000 0.432 553 D N 0.086 120.564 120.400 0.129 0.000 2.434 553 D HA 0.144 4.785 4.640 0.002 0.000 0.275 553 D C -1.847 174.532 176.300 0.132 0.000 1.172 553 D CA -2.303 51.761 54.000 0.107 0.000 0.916 553 D CB 1.555 42.404 40.800 0.082 0.000 1.041 553 D HN 0.053 nan 8.370 nan 0.000 0.501 554 P HA -0.211 nan 4.420 nan 0.000 0.216 554 P C 1.043 178.402 177.300 0.098 0.000 1.150 554 P CA 1.084 64.245 63.100 0.102 0.000 0.843 554 P CB 0.640 32.377 31.700 0.062 0.000 0.787 555 K N 0.569 121.017 120.400 0.080 0.000 2.001 555 K HA -0.130 4.191 4.320 0.002 0.000 0.214 555 K C 2.502 179.154 176.600 0.086 0.000 1.050 555 K CA 1.788 58.117 56.287 0.069 0.000 0.934 555 K CB -1.118 31.415 32.500 0.054 0.000 0.718 555 K HN 0.020 nan 8.250 nan 0.000 0.443 556 A N 1.742 124.617 122.820 0.092 0.000 1.908 556 A HA -0.136 4.185 4.320 0.002 0.000 0.218 556 A C 2.493 180.167 177.584 0.151 0.000 1.181 556 A CA 1.953 54.047 52.037 0.095 0.000 0.627 556 A CB -0.974 18.070 19.000 0.073 0.000 0.818 556 A HN 0.384 nan 8.150 nan 0.000 0.445 557 A N -0.603 122.348 122.820 0.219 0.000 1.948 557 A HA -0.072 4.249 4.320 0.002 0.000 0.220 557 A C 2.206 180.020 177.584 0.384 0.000 1.177 557 A CA 2.000 54.266 52.037 0.382 0.000 0.636 557 A CB -0.894 18.367 19.000 0.434 0.000 0.815 557 A HN 0.450 nan 8.150 nan 0.000 0.449 558 V N 0.241 120.280 119.914 0.208 0.000 2.453 558 V HA -0.193 3.928 4.120 0.002 0.000 0.247 558 V C 2.113 178.296 176.094 0.147 0.000 1.048 558 V CA 2.018 64.404 62.300 0.143 0.000 1.049 558 V CB -0.703 31.163 31.823 0.072 0.000 0.672 558 V HN 0.498 nan 8.190 nan 0.000 0.457 559 D N -0.060 120.417 120.400 0.128 0.000 2.117 559 D HA -0.192 4.449 4.640 0.002 0.000 0.197 559 D C 2.331 178.704 176.300 0.122 0.000 0.987 559 D CA 1.316 55.376 54.000 0.099 0.000 0.829 559 D CB -0.156 40.687 40.800 0.072 0.000 0.961 559 D HN 0.533 nan 8.370 nan 0.000 0.460 560 Q N -0.043 119.853 119.800 0.161 0.000 2.135 560 Q HA -0.159 4.182 4.340 0.002 0.000 0.204 560 Q C 2.262 178.420 176.000 0.262 0.000 0.981 560 Q CA 0.703 56.594 55.803 0.147 0.000 0.856 560 Q CB -0.128 28.660 28.738 0.084 0.000 0.902 560 Q HN 0.193 nan 8.270 nan 0.000 0.425 561 L N 0.861 122.327 121.223 0.404 0.000 2.093 561 L HA -0.143 4.198 4.340 0.002 0.000 0.208 561 L C 2.330 179.311 176.870 0.184 0.000 1.085 561 L CA 1.644 56.707 54.840 0.372 0.000 0.755 561 L CB -0.386 41.765 42.059 0.153 0.000 0.904 561 L HN 0.038 nan 8.230 nan 0.000 0.435 562 R N -1.142 119.437 120.500 0.132 0.000 2.091 562 R HA -0.170 4.171 4.340 0.002 0.000 0.238 562 R C 1.978 178.325 176.300 0.079 0.000 1.136 562 R CA 2.144 58.294 56.100 0.084 0.000 0.959 562 R CB -0.406 29.933 30.300 0.066 0.000 0.856 562 R HN 0.440 nan 8.270 nan 0.000 0.437 563 T N 0.478 115.083 114.554 0.085 0.000 2.737 563 T HA -0.075 4.276 4.350 0.002 0.000 0.265 563 T C 1.831 176.576 174.700 0.076 0.000 1.038 563 T CA 1.238 63.376 62.100 0.064 0.000 1.144 563 T CB -0.300 68.596 68.868 0.047 0.000 0.866 563 T HN 0.435 nan 8.240 nan 0.000 0.434 564 A N 1.230 124.120 122.820 0.116 0.000 1.940 564 A HA -0.071 4.250 4.320 0.002 0.000 0.219 564 A C 2.268 179.922 177.584 0.116 0.000 1.176 564 A CA 1.272 53.389 52.037 0.133 0.000 0.631 564 A CB -0.882 18.252 19.000 0.223 0.000 0.814 564 A HN 0.549 nan 8.150 nan 0.000 0.446 565 I N -0.509 120.121 120.570 0.100 0.000 2.226 565 I HA -0.283 3.888 4.170 0.002 0.000 0.245 565 I C 2.953 179.108 176.117 0.064 0.000 1.100 565 I CA 1.019 62.365 61.300 0.075 0.000 1.374 565 I CB -0.348 37.686 38.000 0.057 0.000 1.057 565 I HN 0.380 nan 8.210 nan 0.000 0.413 566 A N 1.121 123.974 122.820 0.055 0.000 1.855 566 A HA -0.193 4.128 4.320 0.002 0.000 0.215 566 A C 2.071 179.679 177.584 0.040 0.000 1.191 566 A CA 1.774 53.834 52.037 0.039 0.000 0.613 566 A CB -0.707 18.311 19.000 0.029 0.000 0.829 566 A HN 0.379 nan 8.150 nan 0.000 0.442 567 N N -0.026 118.702 118.700 0.046 0.000 2.137 567 N HA -0.123 4.618 4.740 0.002 0.000 0.190 567 N C 1.705 177.255 175.510 0.067 0.000 1.017 567 N CA 1.982 55.057 53.050 0.041 0.000 0.859 567 N CB -0.866 37.649 38.487 0.048 0.000 1.002 567 N HN 0.524 nan 8.380 nan 0.000 0.428 568 T N 1.288 115.913 114.554 0.119 0.000 2.777 568 T HA -0.024 4.327 4.350 0.002 0.000 0.266 568 T C 1.899 176.707 174.700 0.179 0.000 1.040 568 T CA 0.970 63.196 62.100 0.210 0.000 1.141 568 T CB 0.032 69.009 68.868 0.182 0.000 0.868 568 T HN 0.282 nan 8.240 nan 0.000 0.444 569 K N 0.726 121.184 120.400 0.097 0.000 2.057 569 K HA -0.031 4.290 4.320 0.002 0.000 0.207 569 K C 2.565 179.182 176.600 0.028 0.000 1.049 569 K CA 0.928 57.254 56.287 0.065 0.000 0.931 569 K CB -0.128 32.396 32.500 0.040 0.000 0.714 569 K HN 0.144 nan 8.250 nan 0.000 0.440 570 R N 1.594 122.096 120.500 0.004 0.000 2.081 570 R HA -0.149 4.192 4.340 0.002 0.000 0.235 570 R C 1.812 178.053 176.300 -0.099 0.000 1.131 570 R CA 1.671 57.750 56.100 -0.035 0.000 0.960 570 R CB 0.095 30.375 30.300 -0.032 0.000 0.856 570 R HN 0.088 nan 8.270 nan 0.000 0.436 571 K N -1.069 119.229 120.400 -0.169 0.000 2.076 571 K HA -0.104 4.217 4.320 0.002 0.000 0.204 571 K C 1.402 177.643 176.600 -0.600 0.000 1.051 571 K CA 1.365 57.380 56.287 -0.453 0.000 0.949 571 K CB 0.114 32.183 32.500 -0.719 0.000 0.726 571 K HN 0.298 nan 8.250 nan 0.000 0.443 572 Y N -1.233 119.055 120.300 -0.020 0.000 2.445 572 Y HA 0.247 4.799 4.550 0.002 0.000 0.247 572 Y C 1.271 177.152 175.900 -0.031 0.000 1.129 572 Y CA 0.078 58.157 58.100 -0.035 0.000 1.251 572 Y CB 1.337 39.768 38.460 -0.048 0.000 1.176 572 Y HN 0.225 nan 8.280 nan 0.000 0.522 573 G N 0.243 109.092 108.800 0.082 0.000 2.175 573 G HA2 0.024 3.985 3.960 0.002 0.000 0.244 573 G HA3 0.024 3.985 3.960 0.002 0.000 0.244 573 G C 0.103 175.031 174.900 0.047 0.000 0.982 573 G CA -0.021 45.107 45.100 0.046 0.000 0.641 573 G HN 0.870 nan 8.290 nan 0.000 0.527 574 A N -1.244 121.618 122.820 0.069 0.000 2.567 574 A HA 0.701 5.022 4.320 0.002 0.000 0.291 574 A C 0.649 178.263 177.584 0.049 0.000 1.048 574 A CA 0.007 52.070 52.037 0.042 0.000 0.661 574 A CB -0.205 18.807 19.000 0.020 0.000 1.288 574 A HN 1.449 nan 8.150 nan 0.000 0.424 575 I N -1.974 118.611 120.570 0.025 0.000 3.419 575 I HA 0.230 4.401 4.170 0.002 0.000 0.286 575 I C 0.446 176.548 176.117 -0.024 0.000 1.268 575 I CA 1.076 62.385 61.300 0.016 0.000 1.414 575 I CB 0.123 38.131 38.000 0.013 0.000 1.074 575 I HN 0.483 nan 8.210 nan 0.000 0.457 576 D N 1.893 122.274 120.400 -0.032 0.000 2.891 576 D HA 0.104 4.745 4.640 0.002 0.000 0.312 576 D C 0.221 176.481 176.300 -0.066 0.000 1.354 576 D CA -0.421 53.542 54.000 -0.061 0.000 0.838 576 D CB 0.014 40.783 40.800 -0.050 0.000 1.117 576 D HN 0.336 nan 8.370 nan 0.000 0.473 577 R N 1.294 121.749 120.500 -0.074 0.000 2.390 577 R HA 0.321 4.662 4.340 0.002 0.000 0.291 577 R C -2.443 173.788 176.300 -0.114 0.000 1.070 577 R CA -1.266 54.786 56.100 -0.079 0.000 1.014 577 R CB 0.545 30.808 30.300 -0.062 0.000 1.007 577 R HN -0.137 nan 8.270 nan 0.000 0.466 578 P HA -0.084 nan 4.420 nan 0.000 0.261 578 P C -0.142 177.105 177.300 -0.087 0.000 1.183 578 P CA 0.239 63.298 63.100 -0.068 0.000 0.761 578 P CB 0.197 31.866 31.700 -0.051 0.000 0.785 579 F N 4.353 124.166 119.950 -0.229 0.000 2.063 579 F HA -0.227 4.301 4.527 0.002 0.000 0.298 579 F C 2.154 177.765 175.800 -0.316 0.000 1.105 579 F CA 2.649 60.478 58.000 -0.286 0.000 1.215 579 F CB -0.794 38.085 39.000 -0.202 0.000 0.972 579 F HN 0.396 nan 8.300 nan 0.000 0.483 580 G N -1.212 107.563 108.800 -0.042 0.000 2.776 580 G HA2 -0.179 3.783 3.960 0.002 0.000 0.209 580 G HA3 -0.179 3.783 3.960 0.002 0.000 0.209 580 G C 1.298 176.092 174.900 -0.178 0.000 1.145 580 G CA 0.708 45.723 45.100 -0.141 0.000 0.791 580 G HN 0.488 nan 8.290 nan 0.000 0.530 581 D N 0.103 120.396 120.400 -0.178 0.000 2.324 581 D HA 0.139 4.780 4.640 0.002 0.000 0.212 581 D C 2.377 178.575 176.300 -0.170 0.000 0.984 581 D CA 0.719 54.638 54.000 -0.136 0.000 0.885 581 D CB 0.381 41.126 40.800 -0.092 0.000 0.996 581 D HN 0.236 nan 8.370 nan 0.000 0.505 582 A N 0.078 122.736 122.820 -0.269 0.000 1.997 582 A HA 0.169 4.490 4.320 0.002 0.000 0.212 582 A C 1.163 178.507 177.584 -0.401 0.000 1.178 582 A CA 0.142 52.032 52.037 -0.245 0.000 0.698 582 A CB 0.218 19.069 19.000 -0.247 0.000 0.842 582 A HN 0.090 nan 8.150 nan 0.000 0.458 583 S N 1.973 117.229 115.700 -0.741 0.000 2.399 583 S HA 0.538 5.009 4.470 0.002 0.000 0.301 583 S C -0.036 174.164 174.600 -0.667 0.000 1.093 583 S CA -0.588 56.910 58.200 -1.169 0.000 1.077 583 S CB 0.297 62.126 63.200 -2.286 0.000 0.980 583 S HN 0.398 nan 8.310 nan 0.000 0.494 587 L N 6.179 127.448 121.223 0.077 0.000 2.410 587 L HA 0.608 4.949 4.340 0.002 0.000 0.270 587 L C 0.376 177.304 176.870 0.097 0.000 0.983 587 L CA -0.597 54.281 54.840 0.064 0.000 0.822 587 L CB 1.783 43.739 42.059 -0.172 0.000 1.285 587 L HN 0.716 nan 8.230 nan 0.000 0.409 588 N N 2.191 121.002 118.700 0.186 0.000 1.194 588 N HA -0.293 4.448 4.740 0.002 0.000 0.131 588 N C 0.512 176.073 175.510 0.086 0.000 0.688 588 N CA 2.119 55.255 53.050 0.145 0.000 0.927 588 N CB -0.595 37.981 38.487 0.148 0.000 1.224 588 N HN 0.975 nan 8.380 nan 0.000 0.529 589 D N 1.116 121.553 120.400 0.062 0.000 2.363 589 D HA 0.142 4.783 4.640 0.002 0.000 0.214 589 D C 0.079 176.399 176.300 0.033 0.000 1.093 589 D CA 0.120 54.145 54.000 0.042 0.000 0.837 589 D CB -0.187 40.633 40.800 0.032 0.000 0.948 589 D HN 0.219 nan 8.370 nan 0.000 0.507 590 V N 1.830 121.764 119.914 0.033 0.000 2.406 590 V HA 0.241 4.362 4.120 0.002 0.000 0.272 590 V C 0.065 176.175 176.094 0.026 0.000 1.043 590 V CA -0.715 61.597 62.300 0.021 0.000 0.915 590 V CB 0.956 32.783 31.823 0.007 0.000 0.988 590 V HN 0.163 nan 8.190 nan 0.000 0.466 591 N N 4.621 123.334 118.700 0.021 0.000 2.531 591 N HA 0.495 5.236 4.740 0.002 0.000 0.268 591 N C -0.997 174.520 175.510 0.011 0.000 1.023 591 N CA -0.208 52.855 53.050 0.022 0.000 0.896 591 N CB 2.039 40.538 38.487 0.019 0.000 1.233 591 N HN 0.554 nan 8.380 nan 0.000 0.512 592 V N 1.612 121.534 119.914 0.013 0.000 2.960 592 V HA 0.803 4.924 4.120 0.002 0.000 0.315 592 V C -2.494 173.596 176.094 -0.006 0.000 1.087 592 V CA -2.135 60.166 62.300 0.001 0.000 0.982 592 V CB 1.848 33.670 31.823 -0.001 0.000 1.039 592 V HN 0.418 nan 8.190 nan 0.000 0.437 593 P HA 0.318 nan 4.420 nan 0.000 0.271 593 P C 0.067 177.352 177.300 -0.026 0.000 1.216 593 P CA 0.524 63.603 63.100 -0.035 0.000 0.776 593 P CB 1.167 32.853 31.700 -0.023 0.000 0.881 594 G N 1.018 109.778 108.800 -0.066 0.000 2.462 594 G HA2 0.647 4.608 3.960 0.002 0.000 0.319 594 G HA3 0.647 4.608 3.960 0.002 0.000 0.319 594 G C -1.177 173.793 174.900 0.116 0.000 1.171 594 G CA -0.517 44.591 45.100 0.014 0.000 0.920 594 G HN 0.725 nan 8.290 nan 0.000 0.499 595 A N -0.715 122.252 122.820 0.245 0.000 2.609 595 A HA 1.037 5.358 4.320 0.002 0.000 0.291 595 A C 0.226 178.120 177.584 0.517 0.000 1.096 595 A CA 0.398 52.655 52.037 0.367 0.000 0.684 595 A CB 0.953 20.111 19.000 0.264 0.000 1.282 595 A HN 2.833 nan 8.150 nan 0.000 0.412 596 A N -1.398 121.736 122.820 0.523 0.000 5.865 596 A HA 0.459 4.780 4.320 0.002 0.000 0.441 596 A C 1.068 178.985 177.584 0.556 0.000 1.559 596 A CA 1.193 53.576 52.037 0.578 0.000 0.547 596 A CB -1.826 17.577 19.000 0.673 0.000 2.441 596 A HN 3.158 nan 8.150 nan 0.000 0.448 597 G N -1.974 106.970 108.800 0.240 0.000 2.562 597 G HA2 0.607 4.568 3.960 0.002 0.000 0.190 597 G HA3 0.607 4.568 3.960 0.002 0.000 0.190 597 G C -0.552 174.236 174.900 -0.188 0.000 1.196 597 G CA -0.039 45.076 45.100 0.025 0.000 0.986 597 G HN 1.589 nan 8.290 nan 0.000 0.512 598 Y N 1.885 122.163 120.300 -0.038 0.000 2.865 598 Y HA 0.201 4.752 4.550 0.002 0.000 0.338 598 Y C 1.924 177.846 175.900 0.037 0.000 1.269 598 Y CA 0.786 58.900 58.100 0.023 0.000 1.585 598 Y CB 0.820 39.328 38.460 0.081 0.000 1.224 598 Y HN 0.579 nan 8.280 nan 0.000 0.554 599 G N 2.663 111.574 108.800 0.185 0.000 2.432 599 G HA2 -0.277 3.684 3.960 0.002 0.000 0.219 599 G HA3 -0.277 3.684 3.960 0.002 0.000 0.219 599 G C 1.403 176.434 174.900 0.219 0.000 1.135 599 G CA 0.615 45.804 45.100 0.148 0.000 0.767 599 G HN 0.558 nan 8.290 nan 0.000 0.550 600 N N 0.170 119.032 118.700 0.269 0.000 2.520 600 N HA 0.048 4.789 4.740 0.002 0.000 0.185 600 N C 1.805 177.469 175.510 0.256 0.000 1.068 600 N CA 0.307 53.521 53.050 0.273 0.000 0.911 600 N CB -0.030 38.664 38.487 0.345 0.000 0.961 600 N HN 0.306 nan 8.380 nan 0.000 0.446 601 L N -1.463 119.897 121.223 0.229 0.000 2.592 601 L HA 0.231 4.572 4.340 0.002 0.000 0.227 601 L C 1.186 178.271 176.870 0.357 0.000 1.127 601 L CA 0.270 55.278 54.840 0.281 0.000 0.884 601 L CB 0.078 42.327 42.059 0.317 0.000 1.065 601 L HN 0.221 nan 8.230 nan 0.000 0.457 602 G N -0.679 108.306 108.800 0.308 0.000 2.192 602 G HA2 -0.245 3.716 3.960 0.002 0.000 0.193 602 G HA3 -0.245 3.716 3.960 0.002 0.000 0.193 602 G C 0.385 175.470 174.900 0.308 0.000 0.999 602 G CA 0.147 45.416 45.100 0.282 0.000 0.659 602 G HN 0.218 nan 8.290 nan 0.000 0.503 603 S N 0.145 116.055 115.700 0.350 0.000 2.465 603 S HA 0.470 4.941 4.470 0.002 0.000 0.280 603 S C 1.172 175.926 174.600 0.258 0.000 1.232 603 S CA 0.169 58.579 58.200 0.350 0.000 1.066 603 S CB 0.163 63.557 63.200 0.324 0.000 0.929 603 S HN 0.602 nan 8.310 nan 0.000 0.494 604 F N 5.539 125.574 119.950 0.141 0.000 2.128 604 F HA 0.174 4.702 4.527 0.002 0.000 0.295 604 F C 1.473 177.288 175.800 0.026 0.000 1.100 604 F CA 1.045 59.090 58.000 0.075 0.000 1.260 604 F CB -0.013 39.021 39.000 0.057 0.000 1.009 604 F HN 0.520 nan 8.300 nan 0.000 0.476 605 R N 1.176 121.732 120.500 0.094 0.000 2.389 605 R HA 0.390 4.731 4.340 0.002 0.000 0.295 605 R C -1.439 174.750 176.300 -0.186 0.000 1.075 605 R CA -0.183 55.884 56.100 -0.055 0.000 1.005 605 R CB 0.683 31.085 30.300 0.170 0.000 0.987 605 R HN 0.006 nan 8.270 nan 0.000 0.452 606 V N 5.840 125.424 119.914 -0.550 0.000 2.513 606 V HA 0.492 4.613 4.120 0.002 0.000 0.299 606 V C -0.773 174.656 176.094 -1.109 0.000 1.035 606 V CA -0.545 61.334 62.300 -0.701 0.000 0.889 606 V CB 1.630 32.918 31.823 -0.893 0.000 0.988 606 V HN 0.668 nan 8.190 nan 0.000 0.440 607 F N 1.145 120.751 119.950 -0.573 0.000 3.090 607 F HA 0.252 4.780 4.527 0.002 0.000 0.381 607 F C 0.534 175.639 175.800 -1.158 0.000 1.231 607 F CA -0.455 56.977 58.000 -0.947 0.000 1.177 607 F CB 1.745 40.092 39.000 -1.087 0.000 1.598 607 F HN 0.359 nan 8.300 nan 0.000 0.589 608 T N 1.923 116.056 114.554 -0.702 0.000 3.162 608 T HA -0.007 4.344 4.350 0.002 0.000 0.264 608 T C -0.067 174.349 174.700 -0.473 0.000 0.959 608 T CA -0.193 61.649 62.100 -0.431 0.000 1.118 608 T CB -0.574 68.310 68.868 0.027 0.000 0.979 608 T HN 0.284 nan 8.240 nan 0.000 0.679 609 W N 2.894 123.935 121.300 -0.432 0.000 2.231 609 W HA 0.224 4.885 4.660 0.002 0.000 0.341 609 W C 1.313 177.846 176.519 0.024 0.000 1.298 609 W CA -0.666 56.549 57.345 -0.218 0.000 1.266 609 W CB 0.184 29.483 29.460 -0.268 0.000 1.172 609 W HN 0.536 nan 8.180 nan 0.000 0.568 610 S N 1.265 117.102 115.700 0.229 0.000 2.661 610 S HA 0.228 4.699 4.470 0.002 0.000 0.265 610 S C -0.028 174.691 174.600 0.198 0.000 1.225 610 S CA -1.021 57.282 58.200 0.172 0.000 0.986 610 S CB 0.688 63.951 63.200 0.104 0.000 1.008 610 S HN 0.434 nan 8.310 nan 0.000 0.565 611 D N 2.463 122.938 120.400 0.125 0.000 2.357 611 D HA 0.339 4.981 4.640 0.002 0.000 0.242 611 D C -2.026 174.307 176.300 0.055 0.000 1.153 611 D CA -0.744 53.307 54.000 0.084 0.000 0.918 611 D CB 0.323 41.142 40.800 0.031 0.000 1.181 611 D HN 0.432 nan 8.370 nan 0.000 0.435 612 P HA 0.115 nan 4.420 nan 0.000 0.281 612 P C -0.576 176.689 177.300 -0.058 0.000 1.249 612 P CA -0.507 62.566 63.100 -0.046 0.000 0.810 612 P CB 1.069 32.646 31.700 -0.205 0.000 1.008 613 D N -0.083 120.297 120.400 -0.035 0.000 2.440 613 D HA -0.022 4.619 4.640 0.002 0.000 0.269 613 D C 1.301 177.570 176.300 -0.051 0.000 1.249 613 D CA -0.420 53.562 54.000 -0.030 0.000 1.055 613 D CB -0.165 40.630 40.800 -0.008 0.000 1.104 613 D HN 0.520 nan 8.370 nan 0.000 0.561 614 E N -0.755 119.422 120.200 -0.038 0.000 2.219 614 E HA -0.266 4.085 4.350 0.002 0.000 0.198 614 E C 0.385 176.960 176.600 -0.042 0.000 0.998 614 E CA 1.123 57.499 56.400 -0.041 0.000 0.818 614 E CB -0.510 29.174 29.700 -0.026 0.000 0.741 614 E HN 0.312 nan 8.360 nan 0.000 0.477 615 N N 0.335 119.016 118.700 -0.032 0.000 2.279 615 N HA 0.109 4.850 4.740 0.002 0.000 0.226 615 N C 0.603 176.102 175.510 -0.019 0.000 1.126 615 N CA 0.653 53.689 53.050 -0.023 0.000 0.846 615 N CB 1.254 39.734 38.487 -0.011 0.000 1.050 615 N HN 0.405 nan 8.380 nan 0.000 0.502 616 G N 0.851 109.622 108.800 -0.050 0.000 2.168 616 G HA2 -0.252 3.709 3.960 0.002 0.000 0.257 616 G HA3 -0.252 3.709 3.960 0.002 0.000 0.257 616 G C 0.009 174.939 174.900 0.050 0.000 0.997 616 G CA -0.098 44.984 45.100 -0.030 0.000 0.708 616 G HN 0.264 nan 8.290 nan 0.000 0.520 617 I N 0.794 121.369 120.570 0.008 0.000 2.396 617 I HA 0.536 4.707 4.170 0.002 0.000 0.292 617 I C 0.856 176.985 176.117 0.020 0.000 0.999 617 I CA -0.471 60.831 61.300 0.003 0.000 1.310 617 I CB 1.230 39.230 38.000 -0.001 0.000 1.404 617 I HN 0.531 nan 8.210 nan 0.000 0.496 618 R N 3.098 123.606 120.500 0.013 0.000 2.808 618 R HA 0.845 5.186 4.340 0.002 0.000 0.272 618 R C -0.983 175.423 176.300 0.177 0.000 0.995 618 R CA -0.732 55.420 56.100 0.087 0.000 0.917 618 R CB 2.122 32.494 30.300 0.120 0.000 1.217 618 R HN 0.616 nan 8.270 nan 0.000 0.471 619 T N -1.915 112.790 114.554 0.252 0.000 2.865 619 T HA 0.550 4.901 4.350 0.002 0.000 0.294 619 T C -2.901 171.813 174.700 0.022 0.000 1.119 619 T CA -2.482 59.784 62.100 0.276 0.000 1.007 619 T CB 1.999 70.958 68.868 0.152 0.000 1.225 619 T HN 0.376 nan 8.240 nan 0.000 0.515 620 P HA 0.215 nan 4.420 nan 0.000 0.267 620 P C 0.335 177.215 177.300 -0.699 0.000 1.205 620 P CA -0.230 62.287 63.100 -0.972 0.000 0.765 620 P CB 0.899 31.585 31.700 -1.690 0.000 0.828 621 V N 2.865 122.482 119.914 -0.494 0.000 3.379 621 V HA 0.148 4.269 4.120 0.002 0.000 0.249 621 V C 0.161 176.161 176.094 -0.156 0.000 1.184 621 V CA 1.028 63.211 62.300 -0.195 0.000 1.106 621 V CB -0.383 31.417 31.823 -0.039 0.000 0.826 621 V HN 0.708 nan 8.190 nan 0.000 0.465 622 H N -1.816 116.967 119.070 -0.477 0.000 3.042 622 H HA 0.661 5.219 4.556 0.002 0.000 0.346 622 H C -0.258 174.786 175.328 -0.475 0.000 1.294 622 H CA 0.053 55.920 56.048 -0.301 0.000 1.141 622 H CB 1.716 31.410 29.762 -0.114 0.000 1.872 622 H HN 0.325 nan 8.280 nan 0.000 0.541 623 G N 1.480 109.633 108.800 -1.079 0.000 2.240 623 G HA2 0.013 3.974 3.960 0.002 0.000 0.199 623 G HA3 0.013 3.974 3.960 0.002 0.000 0.199 623 G C -1.230 173.425 174.900 -0.408 0.000 1.342 623 G CA -0.538 43.959 45.100 -1.004 0.000 1.145 623 G HN 0.680 nan 8.290 nan 0.000 0.477 624 E N 1.278 121.152 120.200 -0.543 0.000 2.529 624 E HA 0.303 4.654 4.350 0.002 0.000 0.259 624 E C 1.096 177.716 176.600 0.034 0.000 0.966 624 E CA 1.194 57.461 56.400 -0.223 0.000 0.937 624 E CB 1.183 30.599 29.700 -0.474 0.000 0.923 624 E HN 0.852 nan 8.360 nan 0.000 0.468 625 T N -0.683 113.828 114.554 -0.072 0.000 3.349 625 T HA 0.058 4.409 4.350 0.002 0.000 0.169 625 T C 0.218 174.776 174.700 -0.237 0.000 0.938 625 T CA -0.643 61.291 62.100 -0.276 0.000 1.017 625 T CB 0.023 68.897 68.868 0.009 0.000 1.476 625 T HN 0.599 nan 8.240 nan 0.000 0.327 626 W N 3.158 124.229 121.300 -0.381 0.000 2.331 626 W HA 0.617 5.278 4.660 0.001 0.000 0.306 626 W C -1.977 174.379 176.519 -0.271 0.000 1.162 626 W CA -0.783 56.338 57.345 -0.374 0.000 1.232 626 W CB 1.201 30.311 29.460 -0.583 0.000 1.235 626 W HN 0.250 nan 8.180 nan 0.000 0.479 627 V N 6.580 126.008 119.914 -0.811 0.000 2.482 627 V HA 0.696 4.817 4.120 0.002 0.000 0.295 627 V C 0.030 175.680 176.094 -0.740 0.000 1.026 627 V CA -0.583 61.353 62.300 -0.606 0.000 0.856 627 V CB 0.599 32.373 31.823 -0.083 0.000 1.001 627 V HN 0.704 nan 8.190 nan 0.000 0.424 631 E N 5.034 124.907 120.200 -0.547 0.000 2.129 631 E HA 0.475 4.826 4.350 0.002 0.000 0.268 631 E C -1.131 175.189 176.600 -0.467 0.000 0.900 631 E CA -0.556 55.603 56.400 -0.402 0.000 0.755 631 E CB 0.738 30.302 29.700 -0.226 0.000 1.117 631 E HN 0.464 nan 8.360 nan 0.000 0.410 632 F N 3.962 123.829 119.950 -0.139 0.000 2.668 632 F HA 0.075 4.603 4.527 0.002 0.000 0.365 632 F C 0.854 176.611 175.800 -0.070 0.000 1.165 632 F CA -0.214 57.728 58.000 -0.097 0.000 1.344 632 F CB -0.218 38.719 39.000 -0.104 0.000 1.658 632 F HN 0.299 nan 8.300 nan 0.000 0.620 633 S N -1.242 114.455 115.700 -0.005 0.000 2.694 633 S HA 0.564 5.035 4.470 0.002 0.000 0.278 633 S C 0.128 174.741 174.600 0.021 0.000 1.152 633 S CA -0.779 57.423 58.200 0.003 0.000 1.010 633 S CB 1.359 64.539 63.200 -0.033 0.000 1.104 633 S HN 0.128 nan 8.310 nan 0.000 0.547 634 T N 2.827 117.391 114.554 0.016 0.000 2.912 634 T HA 0.519 4.870 4.350 0.002 0.000 0.326 634 T C -2.201 172.506 174.700 0.011 0.000 1.080 634 T CA -0.805 61.310 62.100 0.024 0.000 1.000 634 T CB 0.759 69.646 68.868 0.032 0.000 1.008 634 T HN 0.668 nan 8.240 nan 0.000 0.473 635 P HA 0.422 nan 4.420 nan 0.000 0.276 635 P C 0.135 177.426 177.300 -0.015 0.000 1.252 635 P CA -0.626 62.479 63.100 0.009 0.000 0.802 635 P CB 0.573 32.276 31.700 0.005 0.000 1.035 636 V N -0.953 118.952 119.914 -0.015 0.000 3.139 636 V HA 0.309 4.430 4.120 0.002 0.000 0.307 636 V C 0.399 176.408 176.094 -0.141 0.000 1.095 636 V CA -0.358 61.887 62.300 -0.092 0.000 1.160 636 V CB 0.040 31.802 31.823 -0.101 0.000 1.003 636 V HN 0.551 nan 8.190 nan 0.000 0.489 637 R N 1.862 122.229 120.500 -0.221 0.000 2.621 637 R HA 0.794 5.135 4.340 0.002 0.000 0.292 637 R C -0.803 175.287 176.300 -0.350 0.000 0.969 637 R CA -0.160 55.797 56.100 -0.238 0.000 0.887 637 R CB 2.007 32.225 30.300 -0.136 0.000 1.180 637 R HN 1.194 nan 8.270 nan 0.000 0.450 638 A N 3.109 125.653 122.820 -0.459 0.000 2.574 638 A HA 0.661 4.982 4.320 0.002 0.000 0.297 638 A C -2.032 175.196 177.584 -0.593 0.000 1.062 638 A CA -0.554 51.199 52.037 -0.473 0.000 0.686 638 A CB 1.280 19.926 19.000 -0.591 0.000 1.285 638 A HN 0.630 nan 8.150 nan 0.000 0.403 639 Y N -0.191 120.039 120.300 -0.116 0.000 2.545 639 Y HA 0.776 5.327 4.550 0.002 0.000 0.348 639 Y C 0.763 176.704 175.900 0.069 0.000 1.002 639 Y CA 0.095 58.205 58.100 0.016 0.000 1.039 639 Y CB 2.865 41.353 38.460 0.047 0.000 1.271 639 Y HN 1.219 nan 8.280 nan 0.000 0.467 640 G N 1.020 110.009 108.800 0.314 0.000 2.600 640 G HA2 0.741 4.702 3.960 0.002 0.000 0.293 640 G HA3 0.741 4.702 3.960 0.002 0.000 0.293 640 G C -2.151 172.680 174.900 -0.115 0.000 1.408 640 G CA -0.715 44.426 45.100 0.069 0.000 0.782 640 G HN 0.595 nan 8.290 nan 0.000 0.482 644 Y N 2.660 122.639 120.300 -0.534 0.000 2.811 644 Y HA 0.659 5.210 4.550 0.002 0.000 0.330 644 Y C 0.914 176.669 175.900 -0.241 0.000 1.081 644 Y CA -1.116 56.682 58.100 -0.503 0.000 1.408 644 Y CB -0.978 37.208 38.460 -0.456 0.000 1.235 644 Y HN 0.458 nan 8.280 nan 0.000 0.529 645 G N 1.608 110.416 108.800 0.013 0.000 2.907 645 G HA2 -0.396 3.565 3.960 0.002 0.000 0.242 645 G HA3 -0.396 3.565 3.960 0.002 0.000 0.242 645 G C 0.164 175.193 174.900 0.215 0.000 1.448 645 G CA 0.197 45.364 45.100 0.111 0.000 0.911 645 G HN 0.507 nan 8.290 nan 0.000 0.553 646 N N -0.368 118.433 118.700 0.168 0.000 2.268 646 N HA 0.386 5.127 4.740 0.002 0.000 0.204 646 N C 0.191 175.866 175.510 0.275 0.000 1.124 646 N CA 1.121 54.262 53.050 0.151 0.000 0.838 646 N CB 0.277 38.739 38.487 -0.042 0.000 0.994 646 N HN 0.866 nan 8.380 nan 0.000 0.489 647 S N -1.016 114.846 115.700 0.269 0.000 2.537 647 S HA 0.472 4.943 4.470 0.002 0.000 0.271 647 S C -0.518 174.175 174.600 0.155 0.000 1.148 647 S CA -0.664 57.661 58.200 0.207 0.000 0.868 647 S CB 0.883 64.208 63.200 0.208 0.000 1.115 647 S HN 0.194 nan 8.310 nan 0.000 0.461 648 R N 1.157 121.660 120.500 0.004 0.000 2.590 648 R HA 0.233 4.574 4.340 0.002 0.000 0.410 648 R C -0.494 175.705 176.300 -0.168 0.000 1.010 648 R CA -0.438 55.562 56.100 -0.168 0.000 1.155 648 R CB 0.725 30.893 30.300 -0.218 0.000 1.455 648 R HN 0.525 nan 8.270 nan 0.000 0.567 649 Q N 1.697 121.446 119.800 -0.085 0.000 2.304 649 Q HA 0.191 4.532 4.340 0.002 0.000 0.260 649 Q C -2.334 173.617 176.000 -0.081 0.000 0.965 649 Q CA -1.959 53.798 55.803 -0.077 0.000 0.898 649 Q CB 0.825 29.539 28.738 -0.040 0.000 1.196 649 Q HN -0.057 nan 8.270 nan 0.000 0.402 650 P HA -0.085 nan 4.420 nan 0.000 0.259 650 P C 0.540 177.810 177.300 -0.049 0.000 1.163 650 P CA 1.259 64.312 63.100 -0.077 0.000 0.760 650 P CB 0.239 31.900 31.700 -0.064 0.000 0.762 651 G N 1.543 110.317 108.800 -0.042 0.000 2.157 651 G HA2 -0.240 3.721 3.960 0.002 0.000 0.248 651 G HA3 -0.240 3.721 3.960 0.002 0.000 0.248 651 G C 0.466 175.354 174.900 -0.019 0.000 0.979 651 G CA 0.182 45.267 45.100 -0.024 0.000 0.650 651 G HN 0.774 nan 8.290 nan 0.000 0.529 652 T N 0.299 114.846 114.554 -0.011 0.000 2.913 652 T HA 0.486 4.837 4.350 0.002 0.000 0.297 652 T C 1.950 176.636 174.700 -0.023 0.000 1.029 652 T CA 1.304 63.404 62.100 0.001 0.000 1.104 652 T CB 0.855 69.758 68.868 0.058 0.000 0.964 652 T HN 0.896 nan 8.240 nan 0.000 0.532 653 T N 0.924 115.386 114.554 -0.153 0.000 3.107 653 T HA 0.099 4.450 4.350 0.002 0.000 0.249 653 T C 0.805 175.355 174.700 -0.249 0.000 1.096 653 T CA 0.281 62.247 62.100 -0.223 0.000 1.012 653 T CB -0.164 68.501 68.868 -0.338 0.000 0.977 653 T HN 0.723 nan 8.240 nan 0.000 0.527 654 H N -0.049 119.079 119.070 0.098 0.000 2.550 654 H HA 0.295 4.852 4.556 0.002 0.000 0.304 654 H C 0.215 175.642 175.328 0.163 0.000 1.086 654 H CA -0.536 55.574 56.048 0.104 0.000 1.089 654 H CB 0.002 29.818 29.762 0.090 0.000 1.528 654 H HN 0.461 nan 8.280 nan 0.000 0.539 655 Y N 1.446 121.804 120.300 0.097 0.000 2.539 655 Y HA 0.019 4.570 4.550 0.002 0.000 0.284 655 Y C 1.819 177.757 175.900 0.063 0.000 1.134 655 Y CA 0.943 59.089 58.100 0.077 0.000 1.251 655 Y CB 0.561 39.047 38.460 0.043 0.000 1.260 655 Y HN 0.091 nan 8.280 nan 0.000 0.528 656 S N -0.569 115.097 115.700 -0.058 0.000 2.602 656 S HA 0.100 4.571 4.470 0.002 0.000 0.240 656 S C 0.392 174.956 174.600 -0.060 0.000 0.992 656 S CA 0.010 58.113 58.200 -0.161 0.000 0.971 656 S CB -0.398 62.759 63.200 -0.072 0.000 0.855 656 S HN 0.552 nan 8.310 nan 0.000 0.481 657 D N 0.826 121.222 120.400 -0.006 0.000 2.336 657 D HA 0.080 4.721 4.640 0.002 0.000 0.228 657 D C 0.945 177.246 176.300 0.001 0.000 1.120 657 D CA -0.004 54.007 54.000 0.019 0.000 0.839 657 D CB 0.034 40.879 40.800 0.075 0.000 0.932 657 D HN 0.518 nan 8.370 nan 0.000 0.509 658 Q N -0.802 118.970 119.800 -0.047 0.000 2.215 658 Q HA 0.164 4.505 4.340 0.002 0.000 0.257 658 Q C 1.525 177.460 176.000 -0.108 0.000 0.792 658 Q CA -0.333 55.425 55.803 -0.075 0.000 0.958 658 Q CB 0.526 29.211 28.738 -0.089 0.000 1.158 658 Q HN 0.065 nan 8.270 nan 0.000 0.490 659 I N 2.106 122.609 120.570 -0.112 0.000 2.335 659 I HA -0.254 3.917 4.170 0.002 0.000 0.251 659 I C 2.208 178.291 176.117 -0.057 0.000 1.129 659 I CA 1.543 62.788 61.300 -0.092 0.000 1.402 659 I CB 0.028 37.979 38.000 -0.082 0.000 1.069 659 I HN 0.166 nan 8.210 nan 0.000 0.424 660 E N 0.811 120.982 120.200 -0.049 0.000 2.072 660 E HA -0.204 4.147 4.350 0.002 0.000 0.191 660 E C 2.345 178.918 176.600 -0.044 0.000 0.985 660 E CA 1.170 57.550 56.400 -0.033 0.000 0.801 660 E CB -0.076 29.612 29.700 -0.021 0.000 0.750 660 E HN 0.514 nan 8.360 nan 0.000 0.452 661 R N -0.129 120.333 120.500 -0.063 0.000 2.148 661 R HA -0.026 4.315 4.340 0.002 0.000 0.223 661 R C 2.475 178.704 176.300 -0.119 0.000 1.088 661 R CA 0.864 56.917 56.100 -0.079 0.000 0.985 661 R CB -0.083 30.162 30.300 -0.092 0.000 0.880 661 R HN 0.044 nan 8.270 nan 0.000 0.451 662 V N 1.174 121.009 119.914 -0.132 0.000 2.358 662 V HA -0.241 3.880 4.120 0.002 0.000 0.246 662 V C 2.408 178.467 176.094 -0.058 0.000 1.047 662 V CA 2.167 64.395 62.300 -0.121 0.000 1.035 662 V CB -0.436 31.350 31.823 -0.062 0.000 0.658 662 V HN 0.446 nan 8.190 nan 0.000 0.452 663 S N 0.253 115.924 115.700 -0.049 0.000 2.442 663 S HA -0.167 4.304 4.470 0.002 0.000 0.236 663 S C 1.844 176.422 174.600 -0.036 0.000 1.007 663 S CA 1.217 59.393 58.200 -0.039 0.000 0.965 663 S CB -0.329 62.855 63.200 -0.027 0.000 0.773 663 S HN 0.638 nan 8.310 nan 0.000 0.504 664 R N 0.283 120.754 120.500 -0.048 0.000 2.437 664 R HA 0.505 4.846 4.340 0.002 0.000 0.257 664 R C 0.762 177.012 176.300 -0.083 0.000 0.927 664 R CA 0.402 56.475 56.100 -0.046 0.000 1.078 664 R CB 0.284 30.570 30.300 -0.022 0.000 1.161 664 R HN 0.429 nan 8.270 nan 0.000 0.529 665 A N 2.109 124.857 122.820 -0.119 0.000 2.822 665 A HA -0.190 4.131 4.320 0.002 0.000 0.287 665 A C -0.198 177.454 177.584 0.113 0.000 1.479 665 A CA 1.094 53.044 52.037 -0.145 0.000 0.779 665 A CB -1.607 16.955 19.000 -0.731 0.000 1.022 665 A HN 0.372 nan 8.150 nan 0.000 0.532 666 D N -0.000 120.443 120.400 0.072 0.000 2.500 666 D HA 0.505 5.146 4.640 0.002 0.000 0.219 666 D C -0.195 176.187 176.300 0.138 0.000 1.137 666 D CA -0.215 53.854 54.000 0.115 0.000 0.946 666 D CB -0.362 40.460 40.800 0.037 0.000 1.022 666 D HN 0.204 nan 8.370 nan 0.000 0.518 667 F N 1.813 121.773 119.950 0.016 0.000 2.459 667 F HA 0.271 4.799 4.527 0.002 0.000 0.346 667 F C 1.695 177.584 175.800 0.149 0.000 1.128 667 F CA -0.180 57.861 58.000 0.069 0.000 1.268 667 F CB 0.643 39.700 39.000 0.095 0.000 1.161 667 F HN -0.019 nan 8.300 nan 0.000 0.583 668 R N 1.417 122.062 120.500 0.242 0.000 2.390 668 R HA 0.175 4.516 4.340 0.002 0.000 0.291 668 R C -0.187 176.259 176.300 0.245 0.000 1.070 668 R CA -0.668 55.553 56.100 0.201 0.000 1.014 668 R CB 0.769 31.130 30.300 0.102 0.000 1.007 668 R HN 0.641 nan 8.270 nan 0.000 0.466 669 E N 4.008 124.283 120.200 0.125 0.000 2.290 669 E HA 0.069 4.420 4.350 0.002 0.000 0.277 669 E C -0.747 175.729 176.600 -0.206 0.000 1.035 669 E CA -0.401 55.837 56.400 -0.269 0.000 0.873 669 E CB 0.644 30.190 29.700 -0.257 0.000 1.029 669 E HN 0.386 nan 8.360 nan 0.000 0.419 670 L N 5.607 126.652 121.223 -0.297 0.000 2.360 670 L HA 0.203 4.544 4.340 0.002 0.000 0.276 670 L C -0.174 176.480 176.870 -0.361 0.000 1.121 670 L CA -0.479 54.192 54.840 -0.281 0.000 0.845 670 L CB 0.350 42.235 42.059 -0.290 0.000 1.143 670 L HN 0.536 nan 8.230 nan 0.000 0.452 671 L N 4.975 126.009 121.223 -0.314 0.000 2.257 671 L HA 0.282 4.623 4.340 0.002 0.000 0.290 671 L C 0.719 177.403 176.870 -0.310 0.000 1.044 671 L CA -0.288 54.418 54.840 -0.223 0.000 0.810 671 L CB 1.198 43.217 42.059 -0.067 0.000 1.193 671 L HN 0.662 nan 8.230 nan 0.000 0.425 672 L N 1.791 122.858 121.223 -0.260 0.000 2.526 672 L HA 0.255 4.596 4.340 0.002 0.000 0.210 672 L C 1.103 177.995 176.870 0.037 0.000 1.048 672 L CA 0.065 54.772 54.840 -0.221 0.000 0.852 672 L CB 0.018 41.969 42.059 -0.181 0.000 1.128 672 L HN 0.643 nan 8.230 nan 0.000 0.482 673 R N 1.029 121.534 120.500 0.008 0.000 2.489 673 R HA -0.003 4.338 4.340 0.002 0.000 0.287 673 R C 1.026 177.361 176.300 0.058 0.000 1.053 673 R CA -0.199 55.925 56.100 0.040 0.000 1.036 673 R CB 0.957 31.264 30.300 0.012 0.000 0.966 673 R HN 0.002 nan 8.270 nan 0.000 0.432 674 R N 2.977 123.517 120.500 0.066 0.000 2.119 674 R HA -0.239 4.102 4.340 0.002 0.000 0.246 674 R C 1.155 177.480 176.300 0.042 0.000 1.146 674 R CA 2.127 58.261 56.100 0.057 0.000 0.962 674 R CB -0.088 30.235 30.300 0.039 0.000 0.863 674 R HN 0.708 nan 8.270 nan 0.000 0.442 675 E N -0.225 119.993 120.200 0.030 0.000 2.051 675 E HA -0.249 4.102 4.350 0.002 0.000 0.192 675 E C 2.162 178.776 176.600 0.023 0.000 0.991 675 E CA 1.612 58.026 56.400 0.023 0.000 0.799 675 E CB -0.113 29.597 29.700 0.017 0.000 0.748 675 E HN 0.549 nan 8.360 nan 0.000 0.449 676 Q N 0.320 120.131 119.800 0.019 0.000 2.030 676 Q HA -0.166 4.175 4.340 0.002 0.000 0.204 676 Q C 2.447 178.463 176.000 0.027 0.000 0.986 676 Q CA 1.660 57.471 55.803 0.013 0.000 0.843 676 Q CB -0.185 28.549 28.738 -0.007 0.000 0.904 676 Q HN 0.157 nan 8.270 nan 0.000 0.420 677 V N 1.206 121.146 119.914 0.045 0.000 2.287 677 V HA -0.289 3.832 4.120 0.002 0.000 0.248 677 V C 1.949 178.075 176.094 0.052 0.000 1.053 677 V CA 2.152 64.492 62.300 0.065 0.000 1.027 677 V CB -0.589 31.296 31.823 0.104 0.000 0.646 677 V HN 0.356 nan 8.190 nan 0.000 0.447 678 E N -0.080 120.145 120.200 0.043 0.000 2.153 678 E HA -0.161 4.190 4.350 0.002 0.000 0.194 678 E C 2.251 178.869 176.600 0.031 0.000 0.988 678 E CA 1.173 57.595 56.400 0.035 0.000 0.811 678 E CB -0.291 29.426 29.700 0.029 0.000 0.746 678 E HN 0.621 nan 8.360 nan 0.000 0.466 679 A N 0.506 123.343 122.820 0.029 0.000 2.014 679 A HA 0.065 4.386 4.320 0.002 0.000 0.218 679 A C 2.024 179.626 177.584 0.029 0.000 1.163 679 A CA 1.349 53.401 52.037 0.026 0.000 0.652 679 A CB 0.001 19.014 19.000 0.022 0.000 0.808 679 A HN 0.244 nan 8.150 nan 0.000 0.449 680 A N -0.891 121.949 122.820 0.033 0.000 2.503 680 A HA 0.491 4.812 4.320 0.002 0.000 0.263 680 A C 0.622 178.230 177.584 0.040 0.000 1.258 680 A CA 0.050 52.109 52.037 0.036 0.000 0.936 680 A CB -0.348 18.673 19.000 0.035 0.000 1.070 680 A HN 0.526 nan 8.150 nan 0.000 0.522 681 V N 0.746 120.685 119.914 0.041 0.000 2.585 681 V HA 0.091 4.212 4.120 0.002 0.000 0.296 681 V C 0.523 176.643 176.094 0.044 0.000 1.035 681 V CA 0.494 62.820 62.300 0.043 0.000 1.084 681 V CB 0.934 32.783 31.823 0.042 0.000 0.953 681 V HN 0.573 nan 8.190 nan 0.000 0.483 682 Q N 4.783 124.612 119.800 0.048 0.000 2.189 682 Q HA 0.358 4.699 4.340 0.002 0.000 0.223 682 Q C 0.032 176.066 176.000 0.057 0.000 0.828 682 Q CA 0.183 56.019 55.803 0.055 0.000 0.967 682 Q CB 1.039 29.819 28.738 0.070 0.000 1.139 682 Q HN 0.924 nan 8.270 nan 0.000 0.497 683 E N 0.233 120.465 120.200 0.053 0.000 2.647 683 E HA 0.217 4.568 4.350 0.002 0.000 0.320 683 E C -1.324 175.308 176.600 0.054 0.000 0.951 683 E CA -0.188 56.245 56.400 0.054 0.000 0.809 683 E CB 1.316 31.053 29.700 0.062 0.000 1.295 683 E HN -0.073 nan 8.360 nan 0.000 0.407 684 R N 2.291 122.823 120.500 0.052 0.000 2.338 684 R HA 0.438 4.779 4.340 0.002 0.000 0.317 684 R C -0.958 175.384 176.300 0.070 0.000 0.968 684 R CA -0.513 55.622 56.100 0.058 0.000 0.849 684 R CB 2.002 32.330 30.300 0.047 0.000 1.128 684 R HN 0.356 nan 8.270 nan 0.000 0.448 685 T N 5.463 120.075 114.554 0.096 0.000 3.060 685 T HA 0.256 4.607 4.350 0.002 0.000 0.367 685 T C -1.941 172.882 174.700 0.205 0.000 1.229 685 T CA -1.202 60.971 62.100 0.123 0.000 1.104 685 T CB 1.097 70.028 68.868 0.105 0.000 1.083 685 T HN 0.433 nan 8.240 nan 0.000 0.524 686 P HA 0.612 nan 4.420 nan 0.000 0.274 686 P C -0.893 176.550 177.300 0.240 0.000 1.237 686 P CA -0.467 62.704 63.100 0.118 0.000 0.793 686 P CB 0.693 32.414 31.700 0.035 0.000 0.977 687 F N -1.764 118.200 119.950 0.023 0.000 2.719 687 F HA 0.561 5.089 4.527 0.002 0.000 0.309 687 F C -1.562 174.269 175.800 0.051 0.000 1.138 687 F CA -1.075 56.946 58.000 0.035 0.000 0.943 687 F CB 1.267 40.286 39.000 0.033 0.000 1.304 687 F HN 0.061 nan 8.300 nan 0.000 0.445 688 N N 1.557 120.396 118.700 0.231 0.000 2.295 688 N HA 0.473 5.214 4.740 0.002 0.000 0.293 688 N C -1.883 173.822 175.510 0.324 0.000 1.040 688 N CA -0.264 52.875 53.050 0.149 0.000 0.840 688 N CB 2.652 41.177 38.487 0.064 0.000 1.468 688 N HN 0.670 nan 8.380 nan 0.000 0.478 689 F N 0.000 120.030 119.950 0.134 0.000 2.286 689 F HA 0.000 4.528 4.527 0.002 0.000 0.279 689 F CA 0.000 58.075 58.000 0.126 0.000 1.383 689 F CB 0.000 39.095 39.000 0.158 0.000 1.145 689 F HN 0.000 nan 8.300 nan 0.000 0.574