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 2vpj_1_A DATA FIRST_RESID 279 DATA SEQUENCE ANEVLLVVGG FGSQQSPIDV VEKYDPKTQE WSFLPSITRK RRYVASVSLH DATA SEQUENCE DRIYVIGGYD GRSRLSSVEC LDYTADEDGV WYSVAPMNVR RGLAGATTLG DATA SEQUENCE DMIYVSGGFD GSRRHTSMER YDPNIDQWSM LGDMQTAREG AGLVVASGVI DATA SEQUENCE YCLGGYDGLN ILNSVEKYDP HTGHWTNVTP MATKRSGAGV ALLNDHIYVV DATA SEQUENCE GGFDGTAHLS SVEAYNIRTD SWTTVTSMTT PRCYVGATVL RGRLYAIAGY DATA SEQUENCE DGNSLLSSIE CYDPIIDSWE VVTSMGTQRC DAGVCVLRE 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 279 A HA 0.000 nan 4.320 nan 0.000 0.244 279 A C 0.000 177.579 177.584 -0.009 0.000 1.274 279 A CA 0.000 52.037 52.037 0.000 0.000 0.836 279 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 280 N N 1.917 120.608 118.700 -0.014 0.000 2.497 280 N HA 0.341 5.085 4.740 0.005 0.000 0.268 280 N C -0.514 174.973 175.510 -0.038 0.000 1.171 280 N CA 0.704 53.736 53.050 -0.031 0.000 0.948 280 N CB 0.354 38.819 38.487 -0.037 0.000 1.069 280 N HN 0.463 nan 8.380 nan 0.000 0.460 281 E N 1.341 121.505 120.200 -0.061 0.000 2.183 281 E HA 0.415 4.768 4.350 0.005 0.000 0.271 281 E C -0.709 175.813 176.600 -0.129 0.000 0.919 281 E CA -1.047 55.306 56.400 -0.080 0.000 0.781 281 E CB 1.607 31.268 29.700 -0.065 0.000 1.140 281 E HN 0.448 nan 8.360 nan 0.000 0.402 282 V N 0.584 120.407 119.914 -0.152 0.000 2.919 282 V HA 0.620 4.743 4.120 0.005 0.000 0.316 282 V C -0.821 175.166 176.094 -0.179 0.000 1.077 282 V CA -1.140 61.046 62.300 -0.191 0.000 0.977 282 V CB 1.546 33.270 31.823 -0.165 0.000 1.039 282 V HN 0.514 nan 8.190 nan 0.000 0.441 283 L N 3.629 124.754 121.223 -0.163 0.000 2.307 283 L HA 0.723 5.066 4.340 0.005 0.000 0.284 283 L C -0.875 175.989 176.870 -0.011 0.000 1.023 283 L CA -0.196 54.589 54.840 -0.092 0.000 0.810 283 L CB 1.095 43.093 42.059 -0.101 0.000 1.231 283 L HN 0.760 nan 8.230 nan 0.000 0.423 284 L N 5.721 126.969 121.223 0.041 0.000 2.322 284 L HA 0.697 5.040 4.340 0.005 0.000 0.281 284 L C -0.920 176.061 176.870 0.186 0.000 1.014 284 L CA -0.769 54.146 54.840 0.125 0.000 0.815 284 L CB 2.015 44.129 42.059 0.093 0.000 1.247 284 L HN 0.372 nan 8.230 nan 0.000 0.421 285 V N 3.925 123.985 119.914 0.244 0.000 2.483 285 V HA 0.510 4.633 4.120 0.005 0.000 0.297 285 V C -0.404 175.797 176.094 0.177 0.000 1.027 285 V CA -0.648 61.780 62.300 0.213 0.000 0.855 285 V CB 2.022 33.985 31.823 0.234 0.000 0.995 285 V HN 0.412 nan 8.190 nan 0.000 0.424 286 V N 4.066 124.064 119.914 0.139 0.000 2.531 286 V HA 0.889 5.012 4.120 0.005 0.000 0.301 286 V C 0.889 177.011 176.094 0.047 0.000 1.034 286 V CA 0.430 62.788 62.300 0.097 0.000 0.865 286 V CB 1.005 32.886 31.823 0.096 0.000 0.995 286 V HN 1.283 nan 8.190 nan 0.000 0.424 287 G N 3.773 112.578 108.800 0.009 0.000 2.574 287 G HA2 0.286 4.249 3.960 0.005 0.000 0.282 287 G HA3 0.286 4.249 3.960 0.005 0.000 0.282 287 G C 0.663 175.570 174.900 0.011 0.000 1.257 287 G CA 0.164 45.255 45.100 -0.016 0.000 0.956 287 G HN 2.554 nan 8.290 nan 0.000 0.560 288 G N -2.735 106.071 108.800 0.010 0.000 2.447 288 G HA2 0.403 4.366 3.960 0.005 0.000 0.220 288 G HA3 0.403 4.366 3.960 0.005 0.000 0.220 288 G C -0.538 174.388 174.900 0.042 0.000 1.261 288 G CA 0.247 45.367 45.100 0.032 0.000 1.000 288 G HN 2.005 nan 8.290 nan 0.000 0.515 289 F N 2.197 122.057 119.950 -0.150 0.000 2.415 289 F HA 0.679 5.209 4.527 0.005 0.000 0.348 289 F C 0.905 176.632 175.800 -0.122 0.000 1.119 289 F CA 0.282 58.174 58.000 -0.180 0.000 1.069 289 F CB 1.413 40.261 39.000 -0.253 0.000 1.124 289 F HN 0.892 nan 8.300 nan 0.000 0.472 290 G N 1.714 110.200 108.800 -0.524 0.000 2.491 290 G HA2 0.344 4.307 3.960 0.005 0.000 0.327 290 G HA3 0.344 4.307 3.960 0.005 0.000 0.327 290 G C 0.393 175.006 174.900 -0.479 0.000 1.189 290 G CA -0.121 44.746 45.100 -0.388 0.000 0.956 290 G HN 0.748 nan 8.290 nan 0.000 0.491 291 S N -0.673 114.866 115.700 -0.269 0.000 2.515 291 S HA -0.143 4.330 4.470 0.005 0.000 0.231 291 S C 1.692 176.163 174.600 -0.215 0.000 0.987 291 S CA 1.307 59.385 58.200 -0.204 0.000 0.936 291 S CB -0.082 63.048 63.200 -0.116 0.000 0.766 291 S HN 0.689 nan 8.310 nan 0.000 0.528 292 Q N 1.013 120.660 119.800 -0.255 0.000 2.415 292 Q HA 0.107 4.450 4.340 0.005 0.000 0.206 292 Q C 0.288 176.123 176.000 -0.274 0.000 0.946 292 Q CA 0.440 56.114 55.803 -0.215 0.000 0.951 292 Q CB -0.681 27.949 28.738 -0.180 0.000 1.026 292 Q HN 0.767 nan 8.270 nan 0.000 0.510 293 Q N -0.040 119.489 119.800 -0.452 0.000 2.481 293 Q HA -0.150 4.193 4.340 0.005 0.000 0.283 293 Q C -1.323 174.380 176.000 -0.495 0.000 1.292 293 Q CA 0.741 56.262 55.803 -0.470 0.000 0.819 293 Q CB -1.293 27.388 28.738 -0.095 0.000 1.202 293 Q HN 0.434 nan 8.270 nan 0.000 0.446 294 S N -0.264 114.919 115.700 -0.861 0.000 2.541 294 S HA 0.752 5.226 4.470 0.005 0.000 0.271 294 S C -2.785 171.565 174.600 -0.417 0.000 1.133 294 S CA -1.262 56.701 58.200 -0.395 0.000 0.876 294 S CB 1.845 64.900 63.200 -0.242 0.000 1.105 294 S HN 0.093 nan 8.310 nan 0.000 0.470 295 P HA 0.329 nan 4.420 nan 0.000 0.267 295 P C -0.674 176.554 177.300 -0.120 0.000 1.200 295 P CA -0.147 62.935 63.100 -0.030 0.000 0.772 295 P CB 0.120 31.773 31.700 -0.078 0.000 0.855 296 I N -1.107 119.401 120.570 -0.102 0.000 3.002 296 I HA 0.564 4.738 4.170 0.005 0.000 0.310 296 I C -0.077 175.988 176.117 -0.087 0.000 1.087 296 I CA -0.933 60.305 61.300 -0.103 0.000 1.017 296 I CB 2.574 40.513 38.000 -0.102 0.000 1.226 296 I HN 0.106 nan 8.210 nan 0.000 0.443 297 D N 1.752 122.101 120.400 -0.085 0.000 2.440 297 D HA 0.151 4.794 4.640 0.005 0.000 0.216 297 D C 0.234 176.497 176.300 -0.062 0.000 1.150 297 D CA -0.094 53.844 54.000 -0.103 0.000 0.832 297 D CB 0.162 40.893 40.800 -0.114 0.000 0.992 297 D HN 0.273 nan 8.370 nan 0.000 0.502 298 V N 0.819 120.729 119.914 -0.007 0.000 2.614 298 V HA 0.271 4.394 4.120 0.005 0.000 0.291 298 V C 0.276 176.449 176.094 0.131 0.000 1.049 298 V CA -0.498 61.855 62.300 0.090 0.000 1.038 298 V CB 1.769 33.664 31.823 0.121 0.000 0.980 298 V HN 0.005 nan 8.190 nan 0.000 0.481 299 V N 4.895 124.950 119.914 0.235 0.000 2.443 299 V HA 0.455 4.578 4.120 0.005 0.000 0.293 299 V C -0.201 176.078 176.094 0.307 0.000 1.021 299 V CA -0.607 61.850 62.300 0.261 0.000 0.848 299 V CB 1.636 33.667 31.823 0.346 0.000 0.998 299 V HN 0.946 nan 8.190 nan 0.000 0.424 300 E N 3.169 123.522 120.200 0.254 0.000 2.244 300 E HA 0.565 4.918 4.350 0.005 0.000 0.266 300 E C -0.938 175.881 176.600 0.364 0.000 0.914 300 E CA -0.931 55.614 56.400 0.241 0.000 0.794 300 E CB 2.966 32.745 29.700 0.132 0.000 1.210 300 E HN 0.480 nan 8.360 nan 0.000 0.414 301 K N 2.543 123.139 120.400 0.328 0.000 2.397 301 K HA 0.246 4.569 4.320 0.005 0.000 0.253 301 K C -1.869 174.696 176.600 -0.057 0.000 0.932 301 K CA -0.639 55.751 56.287 0.171 0.000 0.795 301 K CB 1.277 33.867 32.500 0.151 0.000 1.159 301 K HN 0.509 nan 8.250 nan 0.000 0.424 302 Y N 3.091 123.039 120.300 -0.587 0.000 2.328 302 Y HA 0.267 4.821 4.550 0.006 0.000 0.337 302 Y C -0.993 174.578 175.900 -0.547 0.000 0.966 302 Y CA -0.916 56.539 58.100 -1.076 0.000 1.136 302 Y CB 1.301 38.693 38.460 -1.780 0.000 1.170 302 Y HN 0.568 nan 8.280 nan 0.000 0.470 303 D N 8.593 128.393 120.400 -0.999 0.000 2.412 303 D HA 0.309 4.952 4.640 0.005 0.000 0.224 303 D C -2.127 173.565 176.300 -1.014 0.000 1.093 303 D CA -2.584 50.972 54.000 -0.741 0.000 0.850 303 D CB 2.109 42.672 40.800 -0.396 0.000 1.046 303 D HN 0.334 nan 8.370 nan 0.000 0.507 304 P HA -0.099 nan 4.420 nan 0.000 0.221 304 P C 1.041 178.182 177.300 -0.264 0.000 1.145 304 P CA 1.017 63.839 63.100 -0.463 0.000 0.795 304 P CB 0.477 32.078 31.700 -0.164 0.000 0.775 305 K N -0.736 119.520 120.400 -0.241 0.000 2.031 305 K HA -0.061 4.262 4.320 0.005 0.000 0.205 305 K C 1.994 178.513 176.600 -0.135 0.000 1.049 305 K CA 2.023 58.224 56.287 -0.144 0.000 0.939 305 K CB -0.576 31.857 32.500 -0.112 0.000 0.717 305 K HN 0.270 nan 8.250 nan 0.000 0.438 306 T N -2.002 112.439 114.554 -0.188 0.000 3.065 306 T HA 0.013 4.366 4.350 0.005 0.000 0.252 306 T C 0.459 175.082 174.700 -0.129 0.000 1.099 306 T CA -0.072 61.947 62.100 -0.135 0.000 1.063 306 T CB 0.039 68.832 68.868 -0.124 0.000 0.948 306 T HN 0.214 nan 8.240 nan 0.000 0.506 307 Q N 0.652 120.309 119.800 -0.239 0.000 2.461 307 Q HA -0.177 4.167 4.340 0.005 0.000 0.273 307 Q C -0.640 175.362 176.000 0.004 0.000 1.163 307 Q CA 0.816 56.550 55.803 -0.115 0.000 0.929 307 Q CB -1.777 27.022 28.738 0.101 0.000 1.334 307 Q HN 0.736 nan 8.270 nan 0.000 0.499 308 E N -0.780 119.309 120.200 -0.184 0.000 2.244 308 E HA 0.460 4.813 4.350 0.005 0.000 0.266 308 E C -0.781 175.734 176.600 -0.142 0.000 0.914 308 E CA -0.740 55.643 56.400 -0.028 0.000 0.794 308 E CB 0.930 30.627 29.700 -0.005 0.000 1.210 308 E HN 0.105 nan 8.360 nan 0.000 0.414 309 W N 1.259 122.612 121.300 0.088 0.000 2.438 309 W HA 0.348 5.010 4.660 0.004 0.000 0.324 309 W C -0.056 176.409 176.519 -0.090 0.000 1.119 309 W CA -0.198 57.159 57.345 0.020 0.000 1.221 309 W CB 1.554 30.990 29.460 -0.041 0.000 1.253 309 W HN 0.367 nan 8.180 nan 0.000 0.555 310 S N 1.106 116.876 115.700 0.118 0.000 2.569 310 S HA 0.684 5.157 4.470 0.005 0.000 0.280 310 S C -1.241 173.331 174.600 -0.046 0.000 1.111 310 S CA -1.029 57.190 58.200 0.032 0.000 0.887 310 S CB 1.309 64.556 63.200 0.078 0.000 1.095 310 S HN 0.189 nan 8.310 nan 0.000 0.476 311 F N 1.066 121.123 119.950 0.179 0.000 2.394 311 F HA 0.575 5.105 4.527 0.005 0.000 0.340 311 F C 0.111 176.006 175.800 0.157 0.000 1.105 311 F CA -0.782 57.318 58.000 0.166 0.000 1.124 311 F CB 0.675 39.747 39.000 0.121 0.000 1.145 311 F HN 0.358 nan 8.300 nan 0.000 0.505 312 L N 3.921 125.363 121.223 0.366 0.000 2.400 312 L HA 0.536 4.879 4.340 0.005 0.000 0.264 312 L C -2.059 175.007 176.870 0.327 0.000 1.061 312 L CA -2.247 52.775 54.840 0.304 0.000 0.799 312 L CB -0.057 42.195 42.059 0.321 0.000 1.240 312 L HN 0.364 nan 8.230 nan 0.000 0.461 313 P HA 0.064 nan 4.420 nan 0.000 0.265 313 P C -0.842 176.718 177.300 0.433 0.000 1.187 313 P CA 0.087 63.378 63.100 0.318 0.000 0.766 313 P CB 0.320 32.201 31.700 0.301 0.000 0.820 314 S N 1.856 117.699 115.700 0.239 0.000 2.585 314 S HA 0.226 4.699 4.470 0.005 0.000 0.273 314 S C 0.907 175.447 174.600 -0.100 0.000 1.339 314 S CA -0.590 57.667 58.200 0.095 0.000 1.028 314 S CB -0.125 63.084 63.200 0.016 0.000 0.906 314 S HN 0.381 nan 8.310 nan 0.000 0.528 315 I N -0.177 120.143 120.570 -0.416 0.000 3.060 315 I HA 0.144 4.317 4.170 0.005 0.000 0.285 315 I C 1.250 177.169 176.117 -0.331 0.000 1.190 315 I CA -0.395 60.453 61.300 -0.753 0.000 1.363 315 I CB 0.010 37.519 38.000 -0.819 0.000 1.396 315 I HN 0.445 nan 8.210 nan 0.000 0.607 316 T N 1.601 115.994 114.554 -0.268 0.000 2.951 316 T HA -0.041 4.312 4.350 0.005 0.000 0.268 316 T C 0.781 175.422 174.700 -0.098 0.000 1.073 316 T CA 1.114 63.151 62.100 -0.104 0.000 1.134 316 T CB -0.290 68.554 68.868 -0.040 0.000 0.884 316 T HN 0.618 nan 8.240 nan 0.000 0.479 317 R N 0.791 121.212 120.500 -0.132 0.000 2.795 317 R HA 0.383 4.726 4.340 0.005 0.000 0.275 317 R C -1.365 174.860 176.300 -0.126 0.000 0.981 317 R CA -0.764 55.271 56.100 -0.108 0.000 0.917 317 R CB 1.324 31.570 30.300 -0.090 0.000 1.202 317 R HN 0.019 nan 8.270 nan 0.000 0.469 318 K N 2.884 123.216 120.400 -0.112 0.000 2.368 318 K HA 0.167 4.490 4.320 0.005 0.000 0.282 318 K C -0.436 176.098 176.600 -0.111 0.000 1.035 318 K CA 0.364 56.582 56.287 -0.114 0.000 0.973 318 K CB 0.732 33.164 32.500 -0.114 0.000 0.957 318 K HN 0.371 nan 8.250 nan 0.000 0.474 319 R N 3.062 123.504 120.500 -0.095 0.000 2.500 319 R HA 0.180 4.523 4.340 0.005 0.000 0.299 319 R C -0.399 175.879 176.300 -0.037 0.000 1.038 319 R CA -0.819 55.244 56.100 -0.062 0.000 0.903 319 R CB 1.708 31.977 30.300 -0.053 0.000 1.177 319 R HN 0.702 nan 8.270 nan 0.000 0.455 320 R N 1.004 121.479 120.500 -0.041 0.000 2.541 320 R HA 0.295 4.638 4.340 0.005 0.000 0.254 320 R C -0.560 175.767 176.300 0.045 0.000 1.130 320 R CA -0.481 55.574 56.100 -0.075 0.000 1.152 320 R CB 0.341 30.491 30.300 -0.249 0.000 1.222 320 R HN 0.499 nan 8.270 nan 0.000 0.579 321 Y N -2.534 117.785 120.300 0.032 0.000 3.491 321 Y HA -0.185 4.368 4.550 0.005 0.000 0.215 321 Y C -0.168 175.762 175.900 0.050 0.000 1.219 321 Y CA 0.264 58.371 58.100 0.011 0.000 1.485 321 Y CB -1.996 36.465 38.460 0.002 0.000 1.450 321 Y HN 0.423 nan 8.280 nan 0.000 0.603 322 V N -0.331 119.692 119.914 0.182 0.000 2.834 322 V HA 0.920 5.043 4.120 0.005 0.000 0.313 322 V C 0.244 176.416 176.094 0.131 0.000 1.060 322 V CA -0.238 62.139 62.300 0.128 0.000 0.989 322 V CB 1.924 33.791 31.823 0.073 0.000 1.041 322 V HN 0.445 nan 8.190 nan 0.000 0.459 323 A N 3.380 126.270 122.820 0.117 0.000 2.384 323 A HA 0.908 5.231 4.320 0.005 0.000 0.312 323 A C -0.575 177.091 177.584 0.135 0.000 1.113 323 A CA -0.318 51.798 52.037 0.132 0.000 0.779 323 A CB 2.017 21.097 19.000 0.133 0.000 1.307 323 A HN 1.161 nan 8.150 nan 0.000 0.436 324 S N -0.441 115.351 115.700 0.153 0.000 2.541 324 S HA 0.739 5.212 4.470 0.005 0.000 0.271 324 S C -1.020 173.686 174.600 0.177 0.000 1.133 324 S CA 0.130 58.436 58.200 0.177 0.000 0.876 324 S CB 1.356 64.660 63.200 0.173 0.000 1.105 324 S HN 2.159 nan 8.310 nan 0.000 0.470 325 V N 1.019 121.056 119.914 0.206 0.000 3.159 325 V HA 0.991 5.114 4.120 0.005 0.000 0.308 325 V C -0.602 175.619 176.094 0.212 0.000 1.190 325 V CA -0.699 61.704 62.300 0.172 0.000 1.037 325 V CB 1.481 33.380 31.823 0.127 0.000 1.060 325 V HN 1.114 nan 8.190 nan 0.000 0.437 326 S N 2.025 117.814 115.700 0.149 0.000 2.503 326 S HA 0.938 5.412 4.470 0.005 0.000 0.301 326 S C -1.084 173.579 174.600 0.106 0.000 1.087 326 S CA -0.700 57.590 58.200 0.149 0.000 1.042 326 S CB 1.678 64.912 63.200 0.056 0.000 1.043 326 S HN 1.622 nan 8.310 nan 0.000 0.489 327 L N 2.196 123.496 121.223 0.129 0.000 2.614 327 L HA 0.476 4.819 4.340 0.005 0.000 0.264 327 L C -0.512 176.328 176.870 -0.051 0.000 0.940 327 L CA 0.158 54.949 54.840 -0.081 0.000 0.903 327 L CB 0.515 42.435 42.059 -0.230 0.000 1.306 327 L HN 1.033 nan 8.230 nan 0.000 0.410 328 H N 3.260 122.410 119.070 0.133 0.000 2.770 328 H HA -0.163 4.396 4.556 0.005 0.000 0.309 328 H C -0.259 175.134 175.328 0.108 0.000 1.206 328 H CA 0.496 56.611 56.048 0.111 0.000 1.147 328 H CB -1.175 28.656 29.762 0.116 0.000 1.422 328 H HN 0.799 nan 8.280 nan 0.000 0.420 329 D N -1.323 119.180 120.400 0.171 0.000 2.945 329 D HA -0.184 4.459 4.640 0.005 0.000 0.225 329 D C 0.125 176.497 176.300 0.121 0.000 1.158 329 D CA 1.177 55.260 54.000 0.139 0.000 0.805 329 D CB -0.408 40.485 40.800 0.155 0.000 1.098 329 D HN 0.644 nan 8.370 nan 0.000 0.426 330 R N -0.086 120.471 120.500 0.095 0.000 2.562 330 R HA 0.649 4.992 4.340 0.005 0.000 0.298 330 R C 0.284 176.557 176.300 -0.046 0.000 0.961 330 R CA -0.718 55.362 56.100 -0.033 0.000 0.881 330 R CB 1.583 31.824 30.300 -0.099 0.000 1.159 330 R HN -0.004 nan 8.270 nan 0.000 0.450 331 I N 3.209 123.694 120.570 -0.142 0.000 2.342 331 I HA 0.239 4.412 4.170 0.005 0.000 0.291 331 I C -0.661 175.434 176.117 -0.036 0.000 1.010 331 I CA -0.453 60.849 61.300 0.003 0.000 1.308 331 I CB 0.642 38.680 38.000 0.064 0.000 1.400 331 I HN 0.392 nan 8.210 nan 0.000 0.488 332 Y N 4.804 125.195 120.300 0.151 0.000 2.377 332 Y HA 0.543 5.095 4.550 0.005 0.000 0.339 332 Y C -0.141 175.872 175.900 0.187 0.000 1.011 332 Y CA -0.841 57.353 58.100 0.156 0.000 1.093 332 Y CB 1.924 40.429 38.460 0.075 0.000 1.201 332 Y HN 0.168 nan 8.280 nan 0.000 0.455 333 V N 5.556 125.646 119.914 0.294 0.000 2.448 333 V HA 0.450 4.573 4.120 0.005 0.000 0.295 333 V C -0.394 175.764 176.094 0.107 0.000 1.025 333 V CA -0.838 61.542 62.300 0.134 0.000 0.859 333 V CB 1.441 33.220 31.823 -0.073 0.000 0.988 333 V HN 0.577 nan 8.190 nan 0.000 0.431 334 I N 4.348 124.975 120.570 0.094 0.000 2.410 334 I HA 0.675 4.848 4.170 0.005 0.000 0.286 334 I C 0.986 177.115 176.117 0.020 0.000 1.009 334 I CA 0.068 61.407 61.300 0.065 0.000 1.111 334 I CB 1.419 39.481 38.000 0.103 0.000 1.262 334 I HN 0.883 nan 8.210 nan 0.000 0.443 335 G N 4.617 113.401 108.800 -0.026 0.000 2.596 335 G HA2 0.114 4.077 3.960 0.005 0.000 0.295 335 G HA3 0.114 4.077 3.960 0.005 0.000 0.295 335 G C 0.400 175.320 174.900 0.033 0.000 1.240 335 G CA 0.175 45.262 45.100 -0.022 0.000 0.985 335 G HN 1.674 nan 8.290 nan 0.000 0.555 336 G N -2.493 106.356 108.800 0.082 0.000 2.472 336 G HA2 0.449 4.412 3.960 0.005 0.000 0.205 336 G HA3 0.449 4.412 3.960 0.005 0.000 0.205 336 G C -0.690 174.355 174.900 0.241 0.000 1.270 336 G CA 0.581 45.778 45.100 0.161 0.000 0.974 336 G HN 2.477 nan 8.290 nan 0.000 0.542 337 Y N 1.527 121.873 120.300 0.077 0.000 2.396 337 Y HA 0.551 5.104 4.550 0.005 0.000 0.332 337 Y C 0.332 176.231 175.900 -0.001 0.000 1.034 337 Y CA -0.623 57.514 58.100 0.062 0.000 1.057 337 Y CB 1.776 40.343 38.460 0.178 0.000 1.220 337 Y HN 0.717 nan 8.280 nan 0.000 0.440 338 D N 2.204 122.462 120.400 -0.236 0.000 2.342 338 D HA 0.286 4.929 4.640 0.005 0.000 0.221 338 D C 1.478 177.481 176.300 -0.494 0.000 1.101 338 D CA 0.645 54.462 54.000 -0.304 0.000 0.837 338 D CB 0.257 40.963 40.800 -0.157 0.000 0.938 338 D HN 0.983 nan 8.370 nan 0.000 0.508 339 G N 0.590 108.738 108.800 -1.086 0.000 2.254 339 G HA2 -0.339 3.624 3.960 0.005 0.000 0.225 339 G HA3 -0.339 3.624 3.960 0.005 0.000 0.225 339 G C 1.179 175.777 174.900 -0.502 0.000 1.003 339 G CA 0.230 44.831 45.100 -0.830 0.000 0.622 339 G HN 0.500 nan 8.290 nan 0.000 0.507 340 R N -0.222 120.084 120.500 -0.323 0.000 2.428 340 R HA 0.434 4.777 4.340 0.005 0.000 0.193 340 R C 0.142 176.539 176.300 0.162 0.000 0.852 340 R CA 1.107 57.202 56.100 -0.008 0.000 1.055 340 R CB 0.465 30.743 30.300 -0.037 0.000 1.343 340 R HN 0.311 nan 8.270 nan 0.000 0.655 341 S N 0.835 116.614 115.700 0.132 0.000 2.500 341 S HA 0.508 4.982 4.470 0.005 0.000 0.301 341 S C -1.069 173.703 174.600 0.287 0.000 1.092 341 S CA -0.787 57.506 58.200 0.156 0.000 1.030 341 S CB 2.219 65.449 63.200 0.050 0.000 1.031 341 S HN 0.123 nan 8.310 nan 0.000 0.483 342 R N 1.285 121.898 120.500 0.187 0.000 2.582 342 R HA 0.539 4.882 4.340 0.005 0.000 0.271 342 R C -0.712 175.619 176.300 0.052 0.000 1.078 342 R CA -0.043 56.131 56.100 0.123 0.000 1.127 342 R CB 0.121 30.395 30.300 -0.043 0.000 1.038 342 R HN 0.523 nan 8.270 nan 0.000 0.500 343 L N 1.091 122.339 121.223 0.042 0.000 2.341 343 L HA 0.332 4.675 4.340 0.005 0.000 0.278 343 L C 0.694 177.530 176.870 -0.056 0.000 1.005 343 L CA -0.354 54.484 54.840 -0.002 0.000 0.818 343 L CB 2.172 44.237 42.059 0.010 0.000 1.259 343 L HN 0.836 nan 8.230 nan 0.000 0.418 344 S N -0.671 114.975 115.700 -0.089 0.000 2.517 344 S HA 0.021 4.494 4.470 0.005 0.000 0.214 344 S C 0.877 175.378 174.600 -0.166 0.000 0.991 344 S CA -0.284 57.816 58.200 -0.167 0.000 0.906 344 S CB 0.320 63.418 63.200 -0.170 0.000 0.789 344 S HN 0.558 nan 8.310 nan 0.000 0.513 345 S N 1.090 116.738 115.700 -0.087 0.000 2.563 345 S HA 0.406 4.879 4.470 0.005 0.000 0.284 345 S C -0.418 174.156 174.600 -0.042 0.000 1.331 345 S CA -0.173 57.998 58.200 -0.047 0.000 1.047 345 S CB 0.398 63.583 63.200 -0.026 0.000 0.859 345 S HN 0.344 nan 8.310 nan 0.000 0.514 346 V N 5.001 124.921 119.914 0.011 0.000 2.760 346 V HA 0.555 4.678 4.120 0.005 0.000 0.309 346 V C -0.436 175.702 176.094 0.073 0.000 1.077 346 V CA -0.748 61.589 62.300 0.062 0.000 0.910 346 V CB 1.838 33.746 31.823 0.141 0.000 1.008 346 V HN 1.005 nan 8.190 nan 0.000 0.424 347 E N 2.600 122.844 120.200 0.072 0.000 2.392 347 E HA 0.787 5.140 4.350 0.005 0.000 0.269 347 E C -1.489 175.170 176.600 0.098 0.000 0.924 347 E CA -0.756 55.685 56.400 0.069 0.000 0.784 347 E CB 2.382 32.142 29.700 0.100 0.000 1.292 347 E HN 0.595 nan 8.360 nan 0.000 0.447 348 C N 2.137 121.339 119.300 -0.163 0.000 2.626 348 C HA 0.749 5.213 4.460 0.005 0.000 0.310 348 C C -1.626 172.893 174.990 -0.784 0.000 1.191 348 C CA -0.517 58.130 59.018 -0.618 0.000 1.517 348 C CB 0.835 27.914 27.740 -1.101 0.000 2.102 348 C HN 0.750 nan 8.230 nan 0.000 0.479 349 L N 5.048 125.724 121.223 -0.911 0.000 2.376 349 L HA 0.543 4.886 4.340 0.005 0.000 0.275 349 L C -0.787 175.823 176.870 -0.433 0.000 0.987 349 L CA 0.270 54.524 54.840 -0.977 0.000 0.828 349 L CB 1.546 42.444 42.059 -1.934 0.000 1.249 349 L HN 0.641 nan 8.230 nan 0.000 0.409 350 D N 3.821 124.123 120.400 -0.164 0.000 2.346 350 D HA -0.023 4.620 4.640 0.005 0.000 0.260 350 D C 0.423 176.699 176.300 -0.040 0.000 1.252 350 D CA 0.337 54.318 54.000 -0.031 0.000 0.895 350 D CB 0.839 41.661 40.800 0.037 0.000 1.097 350 D HN 0.634 nan 8.370 nan 0.000 0.489 351 Y N 2.239 122.476 120.300 -0.104 0.000 2.421 351 Y HA -0.229 4.324 4.550 0.005 0.000 0.292 351 Y C 2.389 178.255 175.900 -0.055 0.000 1.136 351 Y CA 1.388 59.435 58.100 -0.087 0.000 1.255 351 Y CB 0.359 38.789 38.460 -0.051 0.000 0.991 351 Y HN 0.367 nan 8.280 nan 0.000 0.552 352 T N -1.095 113.390 114.554 -0.115 0.000 3.113 352 T HA 0.172 4.526 4.350 0.005 0.000 0.263 352 T C 0.915 175.519 174.700 -0.161 0.000 1.143 352 T CA 0.211 62.214 62.100 -0.162 0.000 1.090 352 T CB -0.754 68.079 68.868 -0.058 0.000 0.922 352 T HN 0.388 nan 8.240 nan 0.000 0.521 353 A N 2.746 125.476 122.820 -0.150 0.000 2.507 353 A HA 0.407 4.730 4.320 0.005 0.000 0.235 353 A C 0.683 178.186 177.584 -0.134 0.000 1.070 353 A CA -0.208 51.756 52.037 -0.122 0.000 0.768 353 A CB -0.012 18.920 19.000 -0.113 0.000 1.011 353 A HN 0.740 nan 8.150 nan 0.000 0.502 354 D N 0.529 120.876 120.400 -0.088 0.000 2.447 354 D HA 0.020 4.663 4.640 0.005 0.000 0.265 354 D C 1.269 177.541 176.300 -0.046 0.000 1.250 354 D CA 0.144 54.102 54.000 -0.070 0.000 1.046 354 D CB 0.099 40.870 40.800 -0.047 0.000 1.095 354 D HN 0.625 nan 8.370 nan 0.000 0.555 355 E N -0.257 119.930 120.200 -0.021 0.000 2.273 355 E HA -0.248 4.105 4.350 0.005 0.000 0.198 355 E C -0.202 176.410 176.600 0.020 0.000 1.002 355 E CA 1.121 57.526 56.400 0.010 0.000 0.828 355 E CB -0.492 29.221 29.700 0.021 0.000 0.747 355 E HN 0.387 nan 8.360 nan 0.000 0.491 356 D N 1.221 121.625 120.400 0.007 0.000 2.690 356 D HA 0.329 4.972 4.640 0.005 0.000 0.236 356 D C 0.639 176.949 176.300 0.017 0.000 1.218 356 D CA 0.859 54.868 54.000 0.015 0.000 0.829 356 D CB 0.310 41.115 40.800 0.008 0.000 1.009 356 D HN 0.416 nan 8.370 nan 0.000 0.482 357 G N -0.990 107.819 108.800 0.014 0.000 2.306 357 G HA2 0.006 3.969 3.960 0.005 0.000 0.262 357 G HA3 0.006 3.969 3.960 0.005 0.000 0.262 357 G C -1.554 173.317 174.900 -0.048 0.000 1.263 357 G CA -0.334 44.778 45.100 0.020 0.000 1.088 357 G HN 0.343 nan 8.290 nan 0.000 0.489 358 V N -0.255 119.631 119.914 -0.047 0.000 2.808 358 V HA 0.699 4.822 4.120 0.005 0.000 0.308 358 V C -1.086 175.039 176.094 0.052 0.000 1.099 358 V CA -0.882 61.450 62.300 0.053 0.000 0.920 358 V CB 1.575 33.449 31.823 0.086 0.000 1.014 358 V HN 0.998 nan 8.190 nan 0.000 0.425 359 W N 6.138 127.493 121.300 0.091 0.000 2.190 359 W HA 0.505 5.168 4.660 0.005 0.000 0.330 359 W C -0.313 176.282 176.519 0.128 0.000 1.299 359 W CA 0.459 57.835 57.345 0.051 0.000 1.215 359 W CB 0.507 29.968 29.460 0.001 0.000 1.147 359 W HN 0.699 nan 8.180 nan 0.000 0.563 360 Y N -0.161 120.265 120.300 0.210 0.000 2.492 360 Y HA 0.706 5.259 4.550 0.005 0.000 0.346 360 Y C -0.307 175.682 175.900 0.148 0.000 0.997 360 Y CA -1.855 56.327 58.100 0.138 0.000 1.025 360 Y CB 0.610 39.109 38.460 0.066 0.000 1.263 360 Y HN 0.185 nan 8.280 nan 0.000 0.454 361 S N 2.330 118.161 115.700 0.219 0.000 2.576 361 S HA 0.563 5.036 4.470 0.005 0.000 0.276 361 S C 0.171 174.892 174.600 0.201 0.000 1.339 361 S CA -0.316 57.972 58.200 0.147 0.000 1.039 361 S CB 1.118 64.400 63.200 0.136 0.000 0.902 361 S HN 0.878 nan 8.310 nan 0.000 0.516 362 V N -0.981 119.033 119.914 0.166 0.000 3.139 362 V HA 0.960 5.083 4.120 0.005 0.000 0.310 362 V C 0.163 176.406 176.094 0.248 0.000 1.260 362 V CA -1.498 60.946 62.300 0.240 0.000 1.064 362 V CB 0.654 32.619 31.823 0.237 0.000 1.160 362 V HN 0.950 nan 8.190 nan 0.000 0.470 363 A N 2.089 125.117 122.820 0.347 0.000 2.540 363 A HA 0.541 4.864 4.320 0.005 0.000 0.239 363 A C -1.960 175.859 177.584 0.392 0.000 1.061 363 A CA -0.553 51.715 52.037 0.385 0.000 0.758 363 A CB -0.908 18.394 19.000 0.503 0.000 0.991 363 A HN 0.813 nan 8.150 nan 0.000 0.502 364 P HA 0.214 nan 4.420 nan 0.000 0.276 364 P C -0.061 177.074 177.300 -0.274 0.000 1.244 364 P CA -0.260 62.834 63.100 -0.010 0.000 0.801 364 P CB 0.558 32.244 31.700 -0.024 0.000 1.006 365 M N 1.653 120.817 119.600 -0.726 0.000 2.207 365 M HA 0.019 4.503 4.480 0.005 0.000 0.311 365 M C 1.560 177.614 176.300 -0.410 0.000 1.127 365 M CA 0.513 55.190 55.300 -1.039 0.000 1.181 365 M CB -0.337 31.632 32.600 -1.051 0.000 1.409 365 M HN 0.322 nan 8.290 nan 0.000 0.461 366 N N -0.657 117.874 118.700 -0.282 0.000 2.270 366 N HA -0.004 4.739 4.740 0.005 0.000 0.181 366 N C -0.483 174.933 175.510 -0.157 0.000 1.016 366 N CA 0.569 53.542 53.050 -0.129 0.000 0.870 366 N CB 0.203 38.659 38.487 -0.051 0.000 0.979 366 N HN 0.248 nan 8.380 nan 0.000 0.431 367 V N 0.862 120.630 119.914 -0.243 0.000 2.680 367 V HA 0.322 4.445 4.120 0.005 0.000 0.309 367 V C -0.172 175.778 176.094 -0.240 0.000 1.052 367 V CA -0.924 61.221 62.300 -0.259 0.000 0.908 367 V CB 2.149 33.695 31.823 -0.461 0.000 1.001 367 V HN 0.087 nan 8.190 nan 0.000 0.431 368 R N 3.542 123.959 120.500 -0.137 0.000 2.401 368 R HA 0.479 4.823 4.340 0.005 0.000 0.299 368 R C -0.447 175.842 176.300 -0.019 0.000 1.064 368 R CA -0.028 56.022 56.100 -0.083 0.000 1.000 368 R CB 0.426 30.696 30.300 -0.050 0.000 0.973 368 R HN 0.553 nan 8.270 nan 0.000 0.438 369 R N 1.661 122.141 120.500 -0.034 0.000 2.507 369 R HA 0.251 4.594 4.340 0.005 0.000 0.298 369 R C -0.408 175.925 176.300 0.055 0.000 1.087 369 R CA -0.617 55.506 56.100 0.038 0.000 0.917 369 R CB 2.129 32.415 30.300 -0.024 0.000 1.173 369 R HN 0.705 nan 8.270 nan 0.000 0.472 370 G N 2.171 111.015 108.800 0.074 0.000 2.356 370 G HA2 0.421 4.384 3.960 0.005 0.000 0.298 370 G HA3 0.421 4.384 3.960 0.005 0.000 0.298 370 G C 0.509 175.435 174.900 0.044 0.000 1.145 370 G CA -0.550 44.604 45.100 0.089 0.000 0.850 370 G HN 0.729 nan 8.290 nan 0.000 0.487 371 L N -0.756 120.505 121.223 0.063 0.000 3.597 371 L HA -0.213 4.130 4.340 0.005 0.000 0.440 371 L C 1.218 178.135 176.870 0.080 0.000 1.277 371 L CA 0.059 54.925 54.840 0.044 0.000 0.852 371 L CB -1.580 40.415 42.059 -0.107 0.000 1.708 371 L HN 0.817 nan 8.230 nan 0.000 0.885 372 A N -0.166 122.712 122.820 0.097 0.000 2.286 372 A HA 0.735 5.058 4.320 0.005 0.000 0.286 372 A C 0.830 178.485 177.584 0.119 0.000 1.097 372 A CA 0.384 52.480 52.037 0.100 0.000 0.821 372 A CB 0.773 19.818 19.000 0.076 0.000 1.076 372 A HN 0.419 nan 8.150 nan 0.000 0.490 373 G N -0.777 108.099 108.800 0.126 0.000 2.377 373 G HA2 0.641 4.604 3.960 0.005 0.000 0.299 373 G HA3 0.641 4.604 3.960 0.005 0.000 0.299 373 G C -0.299 174.701 174.900 0.165 0.000 1.150 373 G CA 0.351 45.542 45.100 0.152 0.000 0.847 373 G HN 1.527 nan 8.290 nan 0.000 0.501 374 A N 1.221 124.145 122.820 0.173 0.000 2.449 374 A HA 0.892 5.215 4.320 0.005 0.000 0.302 374 A C -0.314 177.381 177.584 0.185 0.000 1.048 374 A CA -0.511 51.638 52.037 0.186 0.000 0.708 374 A CB 2.272 21.375 19.000 0.172 0.000 1.274 374 A HN 1.041 nan 8.150 nan 0.000 0.410 375 T N -0.155 114.520 114.554 0.202 0.000 2.762 375 T HA 0.796 5.149 4.350 0.005 0.000 0.301 375 T C -0.674 174.144 174.700 0.196 0.000 1.299 375 T CA 0.364 62.572 62.100 0.180 0.000 1.005 375 T CB 1.684 70.651 68.868 0.165 0.000 1.377 375 T HN 1.599 nan 8.240 nan 0.000 0.504 376 T N 0.732 115.381 114.554 0.158 0.000 2.908 376 T HA 0.817 5.170 4.350 0.005 0.000 0.290 376 T C -1.446 173.349 174.700 0.158 0.000 1.034 376 T CA -0.829 61.367 62.100 0.160 0.000 1.010 376 T CB 1.611 70.518 68.868 0.064 0.000 1.068 376 T HN 0.542 nan 8.240 nan 0.000 0.481 377 L N 1.836 123.185 121.223 0.210 0.000 2.543 377 L HA 0.662 5.005 4.340 0.005 0.000 0.265 377 L C 0.539 177.509 176.870 0.166 0.000 0.945 377 L CA 1.330 56.251 54.840 0.135 0.000 0.869 377 L CB 1.104 43.163 42.059 0.000 0.000 1.294 377 L HN 1.416 nan 8.230 nan 0.000 0.405 378 G N 4.010 112.869 108.800 0.100 0.000 2.583 378 G HA2 -0.272 3.691 3.960 0.005 0.000 0.292 378 G HA3 -0.272 3.691 3.960 0.005 0.000 0.292 378 G C 0.061 175.019 174.900 0.096 0.000 1.203 378 G CA 0.465 45.619 45.100 0.090 0.000 0.987 378 G HN 0.699 nan 8.290 nan 0.000 0.554 379 D N 1.493 121.950 120.400 0.096 0.000 2.643 379 D HA 0.394 5.037 4.640 0.005 0.000 0.244 379 D C 0.692 176.991 176.300 -0.001 0.000 1.257 379 D CA 0.347 54.426 54.000 0.133 0.000 0.831 379 D CB 0.133 41.084 40.800 0.252 0.000 1.043 379 D HN 0.344 nan 8.370 nan 0.000 0.488 380 M N 0.510 120.084 119.600 -0.042 0.000 2.550 380 M HA 0.464 4.947 4.480 0.005 0.000 0.292 380 M C -0.658 175.560 176.300 -0.137 0.000 1.221 380 M CA -0.771 54.430 55.300 -0.166 0.000 0.873 380 M CB 3.090 35.554 32.600 -0.227 0.000 1.727 380 M HN -0.265 nan 8.290 nan 0.000 0.459 381 I N 1.419 121.834 120.570 -0.258 0.000 2.359 381 I HA 0.382 4.555 4.170 0.005 0.000 0.294 381 I C -1.390 174.624 176.117 -0.171 0.000 0.987 381 I CA -0.656 60.563 61.300 -0.135 0.000 1.225 381 I CB 1.056 38.936 38.000 -0.199 0.000 1.366 381 I HN 0.537 nan 8.210 nan 0.000 0.466 382 Y N 4.752 125.092 120.300 0.068 0.000 2.352 382 Y HA 0.568 5.121 4.550 0.005 0.000 0.339 382 Y C -0.243 175.757 175.900 0.166 0.000 0.992 382 Y CA -0.879 57.287 58.100 0.109 0.000 1.100 382 Y CB 2.038 40.525 38.460 0.044 0.000 1.192 382 Y HN 0.159 nan 8.280 nan 0.000 0.458 383 V N 3.266 123.377 119.914 0.328 0.000 2.525 383 V HA 0.539 4.662 4.120 0.005 0.000 0.299 383 V C -0.664 175.534 176.094 0.172 0.000 1.034 383 V CA -0.753 61.684 62.300 0.230 0.000 0.863 383 V CB 1.567 33.489 31.823 0.165 0.000 0.999 383 V HN 0.817 nan 8.190 nan 0.000 0.423 384 S N 3.105 118.902 115.700 0.161 0.000 2.599 384 S HA 0.985 5.458 4.470 0.005 0.000 0.294 384 S C 0.257 174.901 174.600 0.073 0.000 1.094 384 S CA 0.068 58.338 58.200 0.118 0.000 0.931 384 S CB 1.962 65.255 63.200 0.154 0.000 1.093 384 S HN 2.194 nan 8.310 nan 0.000 0.488 385 G N 0.580 109.410 108.800 0.049 0.000 2.601 385 G HA2 0.343 4.306 3.960 0.005 0.000 0.252 385 G HA3 0.343 4.306 3.960 0.005 0.000 0.252 385 G C 0.623 175.624 174.900 0.168 0.000 1.294 385 G CA 0.158 45.308 45.100 0.084 0.000 0.912 385 G HN 2.835 nan 8.290 nan 0.000 0.574 386 G N -2.748 106.144 108.800 0.154 0.000 2.603 386 G HA2 0.485 4.448 3.960 0.005 0.000 0.686 386 G HA3 0.485 4.448 3.960 0.005 0.000 0.686 386 G C -0.647 174.379 174.900 0.210 0.000 1.286 386 G CA 0.195 45.409 45.100 0.190 0.000 0.871 386 G HN 2.174 nan 8.290 nan 0.000 0.568 387 F N 1.199 121.114 119.950 -0.057 0.000 2.508 387 F HA 0.657 5.187 4.527 0.005 0.000 0.325 387 F C 0.793 176.533 175.800 -0.100 0.000 1.090 387 F CA -0.851 57.036 58.000 -0.189 0.000 0.945 387 F CB 2.053 40.928 39.000 -0.209 0.000 1.156 387 F HN 0.566 nan 8.300 nan 0.000 0.463 388 D N 1.289 121.328 120.400 -0.601 0.000 2.395 388 D HA 0.283 4.926 4.640 0.005 0.000 0.213 388 D C 1.393 177.279 176.300 -0.689 0.000 1.110 388 D CA 0.567 54.322 54.000 -0.409 0.000 0.835 388 D CB 0.382 41.128 40.800 -0.090 0.000 0.965 388 D HN 0.902 nan 8.370 nan 0.000 0.505 389 G N -0.592 107.287 108.800 -1.536 0.000 2.232 389 G HA2 -0.313 3.650 3.960 0.005 0.000 0.226 389 G HA3 -0.313 3.650 3.960 0.005 0.000 0.226 389 G C 1.228 175.665 174.900 -0.771 0.000 0.996 389 G CA 0.411 44.822 45.100 -1.148 0.000 0.626 389 G HN 0.375 nan 8.290 nan 0.000 0.509 390 S N -0.567 114.745 115.700 -0.647 0.000 2.979 390 S HA 0.616 5.089 4.470 0.005 0.000 0.243 390 S C 1.120 175.733 174.600 0.022 0.000 1.036 390 S CA 1.547 59.633 58.200 -0.190 0.000 0.846 390 S CB 0.297 63.413 63.200 -0.139 0.000 0.806 390 S HN 1.455 nan 8.310 nan 0.000 0.568 391 R N 1.309 121.750 120.500 -0.099 0.000 2.803 391 R HA 0.825 5.168 4.340 0.005 0.000 0.276 391 R C -1.028 175.243 176.300 -0.049 0.000 0.978 391 R CA -0.865 55.221 56.100 -0.024 0.000 0.939 391 R CB 0.259 30.484 30.300 -0.126 0.000 1.179 391 R HN 0.174 nan 8.270 nan 0.000 0.472 392 R N 1.499 121.979 120.500 -0.034 0.000 2.490 392 R HA 0.402 4.745 4.340 0.005 0.000 0.278 392 R C -0.405 175.736 176.300 -0.265 0.000 1.069 392 R CA -0.335 55.682 56.100 -0.139 0.000 1.080 392 R CB 0.679 30.899 30.300 -0.133 0.000 1.030 392 R HN 0.758 nan 8.270 nan 0.000 0.491 393 H N 0.419 119.489 119.070 0.001 0.000 2.473 393 H HA 0.135 4.695 4.556 0.005 0.000 0.327 393 H C 0.668 175.953 175.328 -0.073 0.000 1.105 393 H CA -0.055 55.973 56.048 -0.033 0.000 1.280 393 H CB 1.780 31.526 29.762 -0.028 0.000 1.450 393 H HN 0.721 nan 8.280 nan 0.000 0.492 394 T N -1.057 113.521 114.554 0.041 0.000 3.057 394 T HA -0.002 4.351 4.350 0.005 0.000 0.254 394 T C 0.988 175.651 174.700 -0.063 0.000 1.094 394 T CA -0.197 61.862 62.100 -0.068 0.000 1.088 394 T CB -0.014 68.808 68.868 -0.078 0.000 0.934 394 T HN 0.487 nan 8.240 nan 0.000 0.497 395 S N 1.291 117.006 115.700 0.026 0.000 2.576 395 S HA 0.576 5.049 4.470 0.005 0.000 0.276 395 S C -0.369 174.258 174.600 0.044 0.000 1.339 395 S CA -0.951 57.269 58.200 0.033 0.000 1.039 395 S CB 0.859 64.065 63.200 0.010 0.000 0.902 395 S HN 0.522 nan 8.310 nan 0.000 0.516 396 M N 2.068 121.742 119.600 0.124 0.000 2.465 396 M HA 0.492 4.975 4.480 0.005 0.000 0.316 396 M C -1.006 175.372 176.300 0.130 0.000 1.121 396 M CA -0.351 55.043 55.300 0.157 0.000 0.934 396 M CB 1.749 34.511 32.600 0.271 0.000 1.692 396 M HN 0.984 nan 8.290 nan 0.000 0.444 397 E N 3.173 123.461 120.200 0.146 0.000 2.369 397 E HA 0.610 4.963 4.350 0.005 0.000 0.270 397 E C -1.572 175.179 176.600 0.253 0.000 0.909 397 E CA -1.214 55.300 56.400 0.191 0.000 0.775 397 E CB 2.450 32.269 29.700 0.198 0.000 1.270 397 E HN 0.709 nan 8.360 nan 0.000 0.445 398 R N 1.296 121.889 120.500 0.156 0.000 2.621 398 R HA 0.311 4.654 4.340 0.005 0.000 0.292 398 R C -1.943 174.171 176.300 -0.311 0.000 0.969 398 R CA -0.783 55.190 56.100 -0.210 0.000 0.887 398 R CB 1.471 31.487 30.300 -0.473 0.000 1.180 398 R HN 0.696 nan 8.270 nan 0.000 0.450 399 Y N 2.919 122.701 120.300 -0.864 0.000 2.331 399 Y HA 0.292 4.845 4.550 0.005 0.000 0.338 399 Y C -0.975 174.511 175.900 -0.690 0.000 0.992 399 Y CA -0.796 56.559 58.100 -1.242 0.000 1.121 399 Y CB 1.419 38.694 38.460 -1.975 0.000 1.184 399 Y HN 0.567 nan 8.280 nan 0.000 0.469 400 D N 8.337 128.085 120.400 -1.086 0.000 2.427 400 D HA 0.322 4.965 4.640 0.005 0.000 0.226 400 D C -2.163 173.526 176.300 -1.020 0.000 1.076 400 D CA -2.598 50.933 54.000 -0.782 0.000 0.849 400 D CB 2.102 42.633 40.800 -0.449 0.000 1.052 400 D HN 0.326 nan 8.370 nan 0.000 0.515 401 P HA -0.086 nan 4.420 nan 0.000 0.219 401 P C 0.844 178.059 177.300 -0.142 0.000 1.146 401 P CA 0.717 63.642 63.100 -0.292 0.000 0.808 401 P CB 0.407 32.175 31.700 0.113 0.000 0.779 402 N N -0.175 118.436 118.700 -0.148 0.000 2.188 402 N HA -0.085 4.658 4.740 0.005 0.000 0.184 402 N C 1.646 177.100 175.510 -0.092 0.000 1.018 402 N CA 1.196 54.197 53.050 -0.082 0.000 0.858 402 N CB -0.569 37.871 38.487 -0.077 0.000 0.989 402 N HN 0.345 nan 8.380 nan 0.000 0.426 403 I N -3.404 117.070 120.570 -0.161 0.000 4.057 403 I HA 0.264 4.437 4.170 0.005 0.000 0.334 403 I C -0.416 175.636 176.117 -0.109 0.000 1.308 403 I CA -0.027 61.203 61.300 -0.116 0.000 1.125 403 I CB 0.185 38.118 38.000 -0.112 0.000 1.034 403 I HN -0.240 nan 8.210 nan 0.000 0.401 404 D N 2.244 122.521 120.400 -0.204 0.000 2.705 404 D HA -0.171 4.473 4.640 0.005 0.000 0.240 404 D C -0.028 176.261 176.300 -0.018 0.000 1.137 404 D CA 1.587 55.550 54.000 -0.062 0.000 0.677 404 D CB -0.787 40.104 40.800 0.152 0.000 1.049 404 D HN 0.817 nan 8.370 nan 0.000 0.427 405 Q N 0.106 119.749 119.800 -0.262 0.000 2.359 405 Q HA 0.616 4.959 4.340 0.005 0.000 0.274 405 Q C -0.777 175.111 176.000 -0.188 0.000 1.074 405 Q CA -0.646 55.110 55.803 -0.079 0.000 0.810 405 Q CB 0.818 29.516 28.738 -0.066 0.000 1.342 405 Q HN 0.328 nan 8.270 nan 0.000 0.427 406 W N 1.245 122.614 121.300 0.115 0.000 2.390 406 W HA 0.627 5.290 4.660 0.005 0.000 0.312 406 W C 0.036 176.564 176.519 0.015 0.000 1.123 406 W CA -0.140 57.255 57.345 0.084 0.000 1.202 406 W CB 2.002 31.517 29.460 0.091 0.000 1.251 406 W HN 0.611 nan 8.180 nan 0.000 0.511 407 S N 4.287 120.097 115.700 0.183 0.000 2.473 407 S HA 0.453 4.926 4.470 0.005 0.000 0.307 407 S C -0.102 174.571 174.600 0.121 0.000 1.094 407 S CA -0.910 57.354 58.200 0.105 0.000 1.070 407 S CB 0.880 64.093 63.200 0.022 0.000 1.019 407 S HN 0.223 nan 8.310 nan 0.000 0.480 408 M N 3.671 123.333 119.600 0.104 0.000 2.219 408 M HA 0.334 4.817 4.480 0.005 0.000 0.353 408 M C -0.238 176.124 176.300 0.104 0.000 1.304 408 M CA 0.350 55.708 55.300 0.096 0.000 1.115 408 M CB -0.605 32.041 32.600 0.076 0.000 1.664 408 M HN 0.572 nan 8.290 nan 0.000 0.459 409 L N 0.799 122.095 121.223 0.123 0.000 2.391 409 L HA 0.762 5.105 4.340 0.005 0.000 0.266 409 L C 1.094 178.091 176.870 0.212 0.000 1.035 409 L CA -1.186 53.749 54.840 0.159 0.000 0.877 409 L CB 0.711 42.849 42.059 0.132 0.000 1.504 409 L HN 0.735 nan 8.230 nan 0.000 0.503 410 G N -0.512 108.475 108.800 0.311 0.000 2.614 410 G HA2 0.118 4.081 3.960 0.005 0.000 0.239 410 G HA3 0.118 4.081 3.960 0.005 0.000 0.239 410 G C -0.799 174.385 174.900 0.474 0.000 1.240 410 G CA -0.352 44.990 45.100 0.403 0.000 0.842 410 G HN 0.505 nan 8.290 nan 0.000 0.584 411 D N 1.046 121.651 120.400 0.342 0.000 2.210 411 D HA 0.205 4.848 4.640 0.005 0.000 0.249 411 D C 0.851 177.123 176.300 -0.047 0.000 1.078 411 D CA -0.021 54.059 54.000 0.134 0.000 0.875 411 D CB 1.431 42.273 40.800 0.069 0.000 1.175 411 D HN 0.192 nan 8.370 nan 0.000 0.440 412 M N 1.257 120.527 119.600 -0.551 0.000 2.219 412 M HA -0.068 4.415 4.480 0.005 0.000 0.307 412 M C 1.720 177.856 176.300 -0.273 0.000 1.116 412 M CA 0.406 55.236 55.300 -0.783 0.000 1.181 412 M CB 0.685 32.753 32.600 -0.887 0.000 1.410 412 M HN 0.403 nan 8.290 nan 0.000 0.454 413 Q N 0.568 120.261 119.800 -0.179 0.000 2.123 413 Q HA -0.042 4.301 4.340 0.005 0.000 0.199 413 Q C -0.424 175.517 176.000 -0.098 0.000 0.966 413 Q CA 0.992 56.748 55.803 -0.080 0.000 0.845 413 Q CB 0.424 29.147 28.738 -0.025 0.000 0.907 413 Q HN 0.733 nan 8.270 nan 0.000 0.439 414 T N 0.851 115.323 114.554 -0.138 0.000 2.792 414 T HA 0.607 4.960 4.350 0.005 0.000 0.280 414 T C -0.941 173.669 174.700 -0.151 0.000 0.990 414 T CA -0.368 61.657 62.100 -0.125 0.000 0.960 414 T CB 1.587 70.389 68.868 -0.109 0.000 0.939 414 T HN 0.314 nan 8.240 nan 0.000 0.439 415 A N 4.271 127.014 122.820 -0.129 0.000 2.520 415 A HA 0.563 4.886 4.320 0.005 0.000 0.245 415 A C 0.506 178.013 177.584 -0.128 0.000 1.072 415 A CA -0.225 51.740 52.037 -0.120 0.000 0.761 415 A CB 0.002 18.935 19.000 -0.113 0.000 1.004 415 A HN 0.902 nan 8.150 nan 0.000 0.499 416 R N 1.955 122.396 120.500 -0.097 0.000 2.584 416 R HA 0.568 4.911 4.340 0.005 0.000 0.276 416 R C -1.020 175.269 176.300 -0.019 0.000 1.046 416 R CA -0.742 55.314 56.100 -0.074 0.000 0.906 416 R CB 1.420 31.681 30.300 -0.064 0.000 1.215 416 R HN 0.818 nan 8.270 nan 0.000 0.449 417 E N 0.976 121.176 120.200 -0.001 0.000 2.235 417 E HA 0.531 4.884 4.350 0.005 0.000 0.265 417 E C 0.246 176.896 176.600 0.083 0.000 0.940 417 E CA -0.821 55.602 56.400 0.038 0.000 0.819 417 E CB 1.746 31.446 29.700 -0.001 0.000 1.206 417 E HN 0.813 nan 8.360 nan 0.000 0.409 418 G N 0.520 109.376 108.800 0.093 0.000 2.153 418 G HA2 -0.253 3.711 3.960 0.005 0.000 0.252 418 G HA3 -0.253 3.711 3.960 0.005 0.000 0.252 418 G C 0.205 175.180 174.900 0.125 0.000 0.994 418 G CA 0.156 45.345 45.100 0.149 0.000 0.698 418 G HN 0.891 nan 8.290 nan 0.000 0.521 419 A N -0.222 122.659 122.820 0.102 0.000 2.304 419 A HA 0.846 5.169 4.320 0.005 0.000 0.301 419 A C 0.926 178.585 177.584 0.126 0.000 1.132 419 A CA 0.516 52.611 52.037 0.097 0.000 0.819 419 A CB 1.006 20.045 19.000 0.066 0.000 1.094 419 A HN 1.673 nan 8.150 nan 0.000 0.492 420 G N 0.158 109.043 108.800 0.141 0.000 2.448 420 G HA2 0.526 4.489 3.960 0.005 0.000 0.285 420 G HA3 0.526 4.489 3.960 0.005 0.000 0.285 420 G C -0.597 174.416 174.900 0.189 0.000 1.176 420 G CA -0.507 44.693 45.100 0.166 0.000 0.852 420 G HN 0.656 nan 8.290 nan 0.000 0.530 421 L N 1.055 122.397 121.223 0.199 0.000 2.346 421 L HA 0.713 5.056 4.340 0.005 0.000 0.276 421 L C -0.691 176.308 176.870 0.215 0.000 1.006 421 L CA -0.978 53.997 54.840 0.226 0.000 0.817 421 L CB 2.139 44.331 42.059 0.221 0.000 1.272 421 L HN 0.387 nan 8.230 nan 0.000 0.421 422 V N 4.127 124.183 119.914 0.237 0.000 3.012 422 V HA 0.542 4.665 4.120 0.005 0.000 0.307 422 V C -1.141 175.092 176.094 0.231 0.000 1.166 422 V CA -0.417 62.014 62.300 0.217 0.000 0.974 422 V CB 2.773 34.722 31.823 0.210 0.000 1.040 422 V HN 0.379 nan 8.190 nan 0.000 0.428 423 V N 5.115 125.135 119.914 0.177 0.000 2.435 423 V HA 0.903 5.026 4.120 0.005 0.000 0.290 423 V C 0.259 176.455 176.094 0.171 0.000 1.030 423 V CA 0.119 62.514 62.300 0.157 0.000 0.881 423 V CB 1.418 33.289 31.823 0.081 0.000 0.983 423 V HN 1.219 nan 8.190 nan 0.000 0.445 424 A N 2.901 125.854 122.820 0.222 0.000 2.385 424 A HA 0.655 4.978 4.320 0.005 0.000 0.290 424 A C 0.293 177.974 177.584 0.162 0.000 1.094 424 A CA -0.369 51.770 52.037 0.169 0.000 0.729 424 A CB 1.152 20.227 19.000 0.125 0.000 1.194 424 A HN 1.213 nan 8.150 nan 0.000 0.442 425 S N 1.349 117.108 115.700 0.099 0.000 3.550 425 S HA -0.094 4.380 4.470 0.005 0.000 0.372 425 S C 1.432 176.077 174.600 0.076 0.000 0.966 425 S CA 1.823 60.068 58.200 0.075 0.000 1.229 425 S CB -1.473 61.763 63.200 0.060 0.000 0.917 425 S HN 2.781 nan 8.310 nan 0.000 0.496 426 G N -1.985 106.853 108.800 0.063 0.000 2.162 426 G HA2 -0.256 3.707 3.960 0.005 0.000 0.260 426 G HA3 -0.256 3.707 3.960 0.005 0.000 0.260 426 G C 0.074 174.967 174.900 -0.013 0.000 0.976 426 G CA 0.104 45.224 45.100 0.034 0.000 0.655 426 G HN 1.265 nan 8.290 nan 0.000 0.533 427 V N 0.911 120.828 119.914 0.004 0.000 2.680 427 V HA 0.667 4.790 4.120 0.005 0.000 0.309 427 V C 0.353 176.396 176.094 -0.085 0.000 1.052 427 V CA -0.921 61.321 62.300 -0.097 0.000 0.908 427 V CB 2.042 33.803 31.823 -0.102 0.000 1.001 427 V HN 0.279 nan 8.190 nan 0.000 0.431 428 I N 4.029 124.473 120.570 -0.210 0.000 2.359 428 I HA 0.444 4.617 4.170 0.005 0.000 0.294 428 I C -1.128 174.909 176.117 -0.133 0.000 0.987 428 I CA -0.382 60.858 61.300 -0.099 0.000 1.225 428 I CB 1.169 39.065 38.000 -0.175 0.000 1.366 428 I HN 0.511 nan 8.210 nan 0.000 0.466 429 Y N 4.722 125.104 120.300 0.137 0.000 2.364 429 Y HA 0.451 5.005 4.550 0.006 0.000 0.340 429 Y C -0.120 175.938 175.900 0.263 0.000 0.975 429 Y CA -0.560 57.663 58.100 0.204 0.000 1.089 429 Y CB 1.915 40.450 38.460 0.126 0.000 1.192 429 Y HN 0.472 nan 8.280 nan 0.000 0.454 430 C N 5.901 125.477 119.300 0.461 0.000 2.319 430 C HA 0.804 5.267 4.460 0.005 0.000 0.323 430 C C -1.294 173.826 174.990 0.217 0.000 1.277 430 C CA -0.878 58.325 59.018 0.308 0.000 1.517 430 C CB -1.039 26.831 27.740 0.217 0.000 2.206 430 C HN 0.752 nan 8.230 nan 0.000 0.486 431 L N 7.161 128.490 121.223 0.176 0.000 2.343 431 L HA 0.812 5.156 4.340 0.005 0.000 0.278 431 L C 0.819 177.732 176.870 0.071 0.000 0.996 431 L CA 0.960 55.881 54.840 0.135 0.000 0.831 431 L CB 1.142 43.311 42.059 0.184 0.000 1.232 431 L HN 1.171 nan 8.230 nan 0.000 0.413 432 G N 1.975 110.787 108.800 0.021 0.000 2.525 432 G HA2 0.325 4.288 3.960 0.005 0.000 0.248 432 G HA3 0.325 4.288 3.960 0.005 0.000 0.248 432 G C 0.243 175.151 174.900 0.014 0.000 1.238 432 G CA -0.218 44.877 45.100 -0.007 0.000 0.926 432 G HN 1.722 nan 8.290 nan 0.000 0.574 433 G N -2.200 106.621 108.800 0.034 0.000 2.428 433 G HA2 0.505 4.468 3.960 0.005 0.000 0.202 433 G HA3 0.505 4.468 3.960 0.005 0.000 0.202 433 G C -0.649 174.325 174.900 0.123 0.000 1.247 433 G CA 0.671 45.816 45.100 0.073 0.000 1.020 433 G HN 2.567 nan 8.290 nan 0.000 0.529 434 Y N 1.259 121.528 120.300 -0.053 0.000 2.399 434 Y HA 0.534 5.087 4.550 0.006 0.000 0.327 434 Y C 0.085 175.923 175.900 -0.102 0.000 1.111 434 Y CA -0.087 57.970 58.100 -0.072 0.000 1.047 434 Y CB 1.795 40.218 38.460 -0.062 0.000 1.259 434 Y HN 0.737 nan 8.280 nan 0.000 0.434 435 D N 2.281 122.301 120.400 -0.633 0.000 2.363 435 D HA 0.307 4.951 4.640 0.005 0.000 0.214 435 D C 1.435 177.312 176.300 -0.706 0.000 1.093 435 D CA 0.533 54.219 54.000 -0.523 0.000 0.837 435 D CB 0.487 41.104 40.800 -0.305 0.000 0.948 435 D HN 1.091 nan 8.370 nan 0.000 0.507 436 G N -0.169 107.786 108.800 -1.409 0.000 2.195 436 G HA2 -0.259 3.704 3.960 0.005 0.000 0.224 436 G HA3 -0.259 3.704 3.960 0.005 0.000 0.224 436 G C 0.428 175.007 174.900 -0.535 0.000 0.990 436 G CA 0.358 44.910 45.100 -0.913 0.000 0.639 436 G HN 0.406 nan 8.290 nan 0.000 0.514 437 L N -0.321 120.588 121.223 -0.523 0.000 2.658 437 L HA 0.531 4.874 4.340 0.005 0.000 0.222 437 L C 0.027 176.884 176.870 -0.021 0.000 1.033 437 L CA 0.570 55.325 54.840 -0.142 0.000 0.949 437 L CB -0.093 41.898 42.059 -0.114 0.000 1.698 437 L HN 0.143 nan 8.230 nan 0.000 0.498 438 N N 1.308 119.928 118.700 -0.132 0.000 2.399 438 N HA 0.370 5.113 4.740 0.005 0.000 0.295 438 N C -0.687 174.865 175.510 0.069 0.000 1.048 438 N CA -0.581 52.457 53.050 -0.020 0.000 0.886 438 N CB 1.994 40.440 38.487 -0.069 0.000 1.185 438 N HN -0.014 nan 8.380 nan 0.000 0.487 439 I N 2.391 123.036 120.570 0.126 0.000 2.588 439 I HA 0.180 4.353 4.170 0.005 0.000 0.283 439 I C 0.570 176.681 176.117 -0.010 0.000 1.119 439 I CA -0.082 61.272 61.300 0.090 0.000 1.419 439 I CB -0.031 37.961 38.000 -0.014 0.000 1.394 439 I HN 0.249 nan 8.210 nan 0.000 0.562 440 L N 6.344 127.557 121.223 -0.016 0.000 2.325 440 L HA 0.403 4.746 4.340 0.005 0.000 0.278 440 L C 0.843 177.666 176.870 -0.077 0.000 1.023 440 L CA -0.605 54.204 54.840 -0.051 0.000 0.811 440 L CB 1.278 43.309 42.059 -0.046 0.000 1.249 440 L HN 0.587 nan 8.230 nan 0.000 0.431 441 N N -0.441 118.198 118.700 -0.101 0.000 2.203 441 N HA -0.016 4.727 4.740 0.005 0.000 0.207 441 N C 0.100 175.529 175.510 -0.135 0.000 1.130 441 N CA -0.340 52.619 53.050 -0.151 0.000 0.861 441 N CB 0.235 38.608 38.487 -0.190 0.000 1.005 441 N HN 0.558 nan 8.380 nan 0.000 0.507 442 S N -0.069 115.586 115.700 -0.075 0.000 2.580 442 S HA 0.513 4.986 4.470 0.005 0.000 0.274 442 S C 0.032 174.633 174.600 0.001 0.000 1.329 442 S CA -0.587 57.592 58.200 -0.035 0.000 1.036 442 S CB 1.533 64.717 63.200 -0.027 0.000 0.919 442 S HN -0.021 nan 8.310 nan 0.000 0.515 443 V N 2.608 122.555 119.914 0.055 0.000 2.588 443 V HA 0.500 4.623 4.120 0.005 0.000 0.304 443 V C -0.363 175.828 176.094 0.161 0.000 1.042 443 V CA -0.679 61.697 62.300 0.126 0.000 0.877 443 V CB 1.582 33.510 31.823 0.174 0.000 0.996 443 V HN 1.007 nan 8.190 nan 0.000 0.425 444 E N 3.517 123.844 120.200 0.211 0.000 2.227 444 E HA 0.611 4.964 4.350 0.005 0.000 0.268 444 E C -1.030 175.818 176.600 0.415 0.000 0.907 444 E CA -1.018 55.566 56.400 0.306 0.000 0.786 444 E CB 2.913 32.774 29.700 0.268 0.000 1.191 444 E HN 0.748 nan 8.360 nan 0.000 0.411 445 K N 1.329 121.889 120.400 0.267 0.000 2.318 445 K HA 0.470 4.793 4.320 0.005 0.000 0.249 445 K C -1.612 174.889 176.600 -0.166 0.000 0.942 445 K CA -0.849 55.366 56.287 -0.120 0.000 0.808 445 K CB 1.721 33.884 32.500 -0.562 0.000 1.189 445 K HN 0.577 nan 8.250 nan 0.000 0.428 446 Y N 1.449 121.324 120.300 -0.709 0.000 2.361 446 Y HA 0.294 4.847 4.550 0.005 0.000 0.337 446 Y C -1.508 174.037 175.900 -0.592 0.000 0.965 446 Y CA -0.852 56.673 58.100 -0.959 0.000 1.091 446 Y CB 1.916 39.247 38.460 -1.882 0.000 1.182 446 Y HN 0.802 nan 8.280 nan 0.000 0.450 447 D N 8.094 127.924 120.400 -0.949 0.000 2.303 447 D HA 0.290 4.933 4.640 0.005 0.000 0.236 447 D C -2.092 173.699 176.300 -0.849 0.000 1.068 447 D CA -2.275 51.344 54.000 -0.635 0.000 0.830 447 D CB 2.542 43.137 40.800 -0.341 0.000 1.109 447 D HN 0.357 nan 8.370 nan 0.000 0.496 448 P HA -0.088 nan 4.420 nan 0.000 0.222 448 P C 0.563 177.635 177.300 -0.381 0.000 1.147 448 P CA 1.145 64.009 63.100 -0.394 0.000 0.790 448 P CB 0.250 31.789 31.700 -0.270 0.000 0.780 449 H N -1.379 117.535 119.070 -0.259 0.000 2.462 449 H HA -0.030 4.529 4.556 0.005 0.000 0.292 449 H C 1.900 177.071 175.328 -0.262 0.000 1.049 449 H CA 2.013 57.940 56.048 -0.201 0.000 1.334 449 H CB -0.632 29.035 29.762 -0.159 0.000 1.404 449 H HN 0.233 nan 8.280 nan 0.000 0.544 450 T N -4.560 109.828 114.554 -0.276 0.000 3.023 450 T HA 0.223 4.576 4.350 0.005 0.000 0.249 450 T C 1.940 176.200 174.700 -0.734 0.000 1.050 450 T CA 0.428 62.247 62.100 -0.468 0.000 1.088 450 T CB 0.116 68.716 68.868 -0.446 0.000 0.946 450 T HN 0.464 nan 8.240 nan 0.000 0.480 451 G N 1.878 110.287 108.800 -0.650 0.000 2.155 451 G HA2 -0.199 3.764 3.960 0.005 0.000 0.257 451 G HA3 -0.199 3.764 3.960 0.005 0.000 0.257 451 G C -0.211 174.514 174.900 -0.292 0.000 0.983 451 G CA 0.291 45.111 45.100 -0.465 0.000 0.676 451 G HN 0.779 nan 8.290 nan 0.000 0.528 452 H N -1.501 117.351 119.070 -0.363 0.000 2.529 452 H HA 0.591 5.150 4.556 0.005 0.000 0.348 452 H C -0.370 174.862 175.328 -0.160 0.000 1.152 452 H CA -1.648 54.334 56.048 -0.109 0.000 1.202 452 H CB 0.751 30.485 29.762 -0.045 0.000 1.562 452 H HN 0.285 nan 8.280 nan 0.000 0.515 453 W N 1.717 123.172 121.300 0.258 0.000 2.351 453 W HA 0.420 5.083 4.660 0.005 0.000 0.311 453 W C 0.193 176.769 176.519 0.095 0.000 1.168 453 W CA -0.247 57.208 57.345 0.184 0.000 1.200 453 W CB 1.228 30.797 29.460 0.181 0.000 1.221 453 W HN 0.518 nan 8.180 nan 0.000 0.519 454 T N 0.015 114.749 114.554 0.300 0.000 2.896 454 T HA 0.418 4.772 4.350 0.005 0.000 0.297 454 T C -0.493 174.317 174.700 0.183 0.000 1.108 454 T CA -1.201 61.010 62.100 0.185 0.000 1.004 454 T CB 1.382 70.314 68.868 0.108 0.000 1.159 454 T HN 0.309 nan 8.240 nan 0.000 0.499 455 N N 0.616 119.398 118.700 0.136 0.000 2.530 455 N HA 0.489 5.232 4.740 0.005 0.000 0.277 455 N C 0.143 175.734 175.510 0.135 0.000 1.168 455 N CA -0.242 52.885 53.050 0.128 0.000 0.979 455 N CB 1.757 40.299 38.487 0.091 0.000 1.141 455 N HN 0.716 nan 8.380 nan 0.000 0.459 456 V N -0.979 119.029 119.914 0.157 0.000 3.204 456 V HA 0.498 4.621 4.120 0.005 0.000 0.316 456 V C 0.528 176.737 176.094 0.192 0.000 1.160 456 V CA -0.823 61.589 62.300 0.187 0.000 1.044 456 V CB 1.014 32.979 31.823 0.237 0.000 1.136 456 V HN 0.509 nan 8.190 nan 0.000 0.455 457 T N 3.794 118.503 114.554 0.258 0.000 2.866 457 T HA 0.242 4.595 4.350 0.005 0.000 0.293 457 T C -2.294 172.621 174.700 0.359 0.000 1.005 457 T CA 0.400 62.680 62.100 0.301 0.000 1.162 457 T CB 0.195 69.302 68.868 0.398 0.000 0.968 457 T HN 0.744 nan 8.240 nan 0.000 0.530 458 P HA 0.225 nan 4.420 nan 0.000 0.274 458 P C 0.185 177.185 177.300 -0.501 0.000 1.246 458 P CA -0.550 62.509 63.100 -0.068 0.000 0.795 458 P CB 0.466 32.115 31.700 -0.086 0.000 1.006 459 M N 0.798 119.885 119.600 -0.855 0.000 2.219 459 M HA 0.116 4.599 4.480 0.005 0.000 0.307 459 M C 1.612 177.530 176.300 -0.636 0.000 1.116 459 M CA 0.035 54.551 55.300 -1.307 0.000 1.181 459 M CB 0.174 32.178 32.600 -0.994 0.000 1.410 459 M HN 0.410 nan 8.290 nan 0.000 0.454 460 A N 0.945 123.468 122.820 -0.494 0.000 1.877 460 A HA -0.036 4.287 4.320 0.005 0.000 0.216 460 A C 0.964 178.424 177.584 -0.207 0.000 1.186 460 A CA 1.365 53.261 52.037 -0.236 0.000 0.620 460 A CB -0.422 18.498 19.000 -0.134 0.000 0.822 460 A HN 0.777 nan 8.150 nan 0.000 0.443 461 T N 1.564 115.980 114.554 -0.229 0.000 2.779 461 T HA 0.422 4.775 4.350 0.005 0.000 0.280 461 T C -0.330 174.249 174.700 -0.202 0.000 0.987 461 T CA -0.753 61.236 62.100 -0.184 0.000 0.966 461 T CB 1.327 70.104 68.868 -0.151 0.000 0.933 461 T HN 0.513 nan 8.240 nan 0.000 0.442 462 K N 3.682 123.978 120.400 -0.174 0.000 2.451 462 K HA 0.338 4.661 4.320 0.005 0.000 0.280 462 K C -0.500 176.008 176.600 -0.153 0.000 1.020 462 K CA -0.148 56.046 56.287 -0.155 0.000 1.008 462 K CB 0.731 33.152 32.500 -0.133 0.000 0.917 462 K HN 0.518 nan 8.250 nan 0.000 0.478 463 R N 1.719 122.149 120.500 -0.117 0.000 2.533 463 R HA 0.211 4.554 4.340 0.005 0.000 0.288 463 R C -1.379 174.898 176.300 -0.038 0.000 1.039 463 R CA -0.655 55.390 56.100 -0.092 0.000 0.909 463 R CB 2.343 32.596 30.300 -0.079 0.000 1.195 463 R HN 0.736 nan 8.270 nan 0.000 0.438 464 S N 0.433 116.121 115.700 -0.019 0.000 2.503 464 S HA 0.576 5.049 4.470 0.005 0.000 0.301 464 S C 0.748 175.308 174.600 -0.068 0.000 1.087 464 S CA 0.420 58.631 58.200 0.019 0.000 1.042 464 S CB 1.512 64.755 63.200 0.072 0.000 1.043 464 S HN 0.912 nan 8.310 nan 0.000 0.489 465 G N 1.929 110.717 108.800 -0.021 0.000 2.179 465 G HA2 -0.115 3.848 3.960 0.005 0.000 0.257 465 G HA3 -0.115 3.848 3.960 0.005 0.000 0.257 465 G C 0.294 175.168 174.900 -0.044 0.000 1.010 465 G CA 0.237 45.281 45.100 -0.093 0.000 0.736 465 G HN 1.242 nan 8.290 nan 0.000 0.513 466 A N -0.462 122.367 122.820 0.015 0.000 2.304 466 A HA 0.813 5.137 4.320 0.005 0.000 0.271 466 A C 0.996 178.641 177.584 0.102 0.000 1.091 466 A CA 0.524 52.586 52.037 0.043 0.000 0.812 466 A CB 0.841 19.865 19.000 0.040 0.000 1.056 466 A HN 1.727 nan 8.150 nan 0.000 0.489 467 G N -0.728 108.143 108.800 0.119 0.000 2.367 467 G HA2 0.580 4.543 3.960 0.005 0.000 0.314 467 G HA3 0.580 4.543 3.960 0.005 0.000 0.314 467 G C -0.360 174.651 174.900 0.185 0.000 1.130 467 G CA 0.248 45.443 45.100 0.158 0.000 0.864 467 G HN 1.829 nan 8.290 nan 0.000 0.486 468 V N -0.728 119.304 119.914 0.197 0.000 2.789 468 V HA 0.986 5.109 4.120 0.005 0.000 0.311 468 V C -0.183 176.044 176.094 0.221 0.000 1.073 468 V CA -0.609 61.824 62.300 0.221 0.000 0.921 468 V CB 1.274 33.224 31.823 0.212 0.000 1.009 468 V HN 1.734 nan 8.190 nan 0.000 0.426 469 A N 3.962 126.930 122.820 0.246 0.000 2.612 469 A HA 0.842 5.165 4.320 0.005 0.000 0.293 469 A C -1.596 176.141 177.584 0.254 0.000 1.075 469 A CA -0.623 51.550 52.037 0.226 0.000 0.680 469 A CB 1.813 20.940 19.000 0.211 0.000 1.279 469 A HN 1.936 nan 8.150 nan 0.000 0.411 470 L N 1.129 122.477 121.223 0.209 0.000 2.295 470 L HA 0.883 5.226 4.340 0.005 0.000 0.285 470 L C -1.323 175.675 176.870 0.213 0.000 1.035 470 L CA -0.573 54.393 54.840 0.211 0.000 0.806 470 L CB 1.360 43.504 42.059 0.143 0.000 1.214 470 L HN 0.775 nan 8.230 nan 0.000 0.426 471 L N 6.277 127.673 121.223 0.288 0.000 2.476 471 L HA 0.580 4.923 4.340 0.005 0.000 0.269 471 L C -0.256 176.776 176.870 0.270 0.000 0.965 471 L CA 0.022 54.998 54.840 0.227 0.000 0.845 471 L CB 1.124 43.256 42.059 0.121 0.000 1.259 471 L HN 0.915 nan 8.230 nan 0.000 0.403 472 N N 2.268 121.067 118.700 0.166 0.000 1.258 472 N HA -0.320 4.423 4.740 0.005 0.000 0.141 472 N C 0.506 176.105 175.510 0.150 0.000 0.811 472 N CA 1.876 55.015 53.050 0.149 0.000 0.960 472 N CB -0.901 37.685 38.487 0.164 0.000 1.205 472 N HN 0.797 nan 8.380 nan 0.000 0.527 473 D N 0.767 121.281 120.400 0.189 0.000 2.388 473 D HA 0.163 4.806 4.640 0.005 0.000 0.221 473 D C -0.046 176.158 176.300 -0.160 0.000 1.133 473 D CA 0.158 54.166 54.000 0.012 0.000 0.831 473 D CB -0.419 40.340 40.800 -0.069 0.000 0.962 473 D HN 0.414 nan 8.370 nan 0.000 0.502 474 H N -0.581 118.455 119.070 -0.056 0.000 2.529 474 H HA 0.429 4.988 4.556 0.006 0.000 0.348 474 H C -0.537 174.744 175.328 -0.078 0.000 1.079 474 H CA -0.614 55.328 56.048 -0.176 0.000 1.198 474 H CB 2.352 31.927 29.762 -0.312 0.000 1.521 474 H HN 0.144 nan 8.280 nan 0.000 0.514 475 I N 4.166 124.699 120.570 -0.062 0.000 2.363 475 I HA 0.034 4.207 4.170 0.005 0.000 0.292 475 I C -0.269 175.886 176.117 0.063 0.000 1.075 475 I CA -0.087 61.239 61.300 0.043 0.000 1.333 475 I CB -0.069 37.903 38.000 -0.046 0.000 1.415 475 I HN 0.345 nan 8.210 nan 0.000 0.502 476 Y N 5.357 125.756 120.300 0.164 0.000 2.304 476 Y HA 0.426 4.979 4.550 0.005 0.000 0.328 476 Y C 0.215 176.252 175.900 0.227 0.000 1.123 476 Y CA -0.566 57.654 58.100 0.201 0.000 1.218 476 Y CB 1.209 39.772 38.460 0.172 0.000 1.207 476 Y HN 0.202 nan 8.280 nan 0.000 0.495 477 V N 4.600 124.749 119.914 0.391 0.000 2.487 477 V HA 0.509 4.632 4.120 0.005 0.000 0.298 477 V C -0.729 175.501 176.094 0.228 0.000 1.028 477 V CA -0.946 61.527 62.300 0.288 0.000 0.860 477 V CB 1.613 33.586 31.823 0.249 0.000 0.991 477 V HN 0.565 nan 8.190 nan 0.000 0.427 478 V N 2.387 122.406 119.914 0.176 0.000 2.487 478 V HA 1.044 5.167 4.120 0.005 0.000 0.298 478 V C 0.513 176.622 176.094 0.025 0.000 1.028 478 V CA 0.371 62.733 62.300 0.103 0.000 0.860 478 V CB 0.668 32.569 31.823 0.129 0.000 0.991 478 V HN 1.630 nan 8.190 nan 0.000 0.427 479 G N 3.324 112.103 108.800 -0.036 0.000 2.566 479 G HA2 0.319 4.282 3.960 0.005 0.000 0.280 479 G HA3 0.319 4.282 3.960 0.005 0.000 0.280 479 G C 1.091 175.971 174.900 -0.033 0.000 1.225 479 G CA 0.592 45.660 45.100 -0.053 0.000 0.966 479 G HN 3.154 nan 8.290 nan 0.000 0.560 480 G N -2.416 106.364 108.800 -0.033 0.000 2.582 480 G HA2 0.438 4.401 3.960 0.005 0.000 0.222 480 G HA3 0.438 4.401 3.960 0.005 0.000 0.222 480 G C -0.509 174.403 174.900 0.019 0.000 1.311 480 G CA 0.280 45.352 45.100 -0.047 0.000 0.915 480 G HN 2.211 nan 8.290 nan 0.000 0.528 481 F N 1.591 121.417 119.950 -0.205 0.000 2.529 481 F HA 0.607 5.137 4.527 0.004 0.000 0.320 481 F C 0.695 176.384 175.800 -0.185 0.000 1.118 481 F CA -0.535 57.333 58.000 -0.220 0.000 0.915 481 F CB 1.904 40.754 39.000 -0.250 0.000 1.161 481 F HN 0.571 nan 8.300 nan 0.000 0.445 482 D N 2.321 122.250 120.400 -0.784 0.000 2.363 482 D HA 0.272 4.915 4.640 0.005 0.000 0.214 482 D C 1.429 177.312 176.300 -0.694 0.000 1.093 482 D CA 0.639 54.293 54.000 -0.577 0.000 0.837 482 D CB 0.372 40.945 40.800 -0.379 0.000 0.948 482 D HN 0.911 nan 8.370 nan 0.000 0.507 483 G N -0.695 107.341 108.800 -1.274 0.000 2.279 483 G HA2 -0.316 3.647 3.960 0.005 0.000 0.223 483 G HA3 -0.316 3.647 3.960 0.005 0.000 0.223 483 G C 1.141 175.654 174.900 -0.645 0.000 1.015 483 G CA 0.514 45.160 45.100 -0.757 0.000 0.621 483 G HN 0.418 nan 8.290 nan 0.000 0.506 484 T N -0.174 113.948 114.554 -0.719 0.000 3.151 484 T HA 0.659 5.012 4.350 0.005 0.000 0.239 484 T C 0.969 175.499 174.700 -0.283 0.000 0.979 484 T CA 1.530 63.429 62.100 -0.335 0.000 1.194 484 T CB 0.324 69.059 68.868 -0.222 0.000 0.982 484 T HN 1.506 nan 8.240 nan 0.000 0.428 485 A N 1.245 123.817 122.820 -0.413 0.000 2.374 485 A HA 0.702 5.025 4.320 0.005 0.000 0.317 485 A C -1.462 175.987 177.584 -0.225 0.000 1.094 485 A CA -0.724 51.180 52.037 -0.223 0.000 0.765 485 A CB 0.392 19.311 19.000 -0.136 0.000 1.268 485 A HN 0.541 nan 8.150 nan 0.000 0.438 486 H N 0.529 119.689 119.070 0.149 0.000 2.646 486 H HA 0.519 5.078 4.556 0.005 0.000 0.325 486 H C -0.558 174.753 175.328 -0.028 0.000 1.075 486 H CA 0.086 56.195 56.048 0.102 0.000 1.421 486 H CB 0.567 30.300 29.762 -0.048 0.000 1.461 486 H HN 0.470 nan 8.280 nan 0.000 0.525 487 L N 1.662 122.908 121.223 0.038 0.000 2.317 487 L HA 0.257 4.600 4.340 0.005 0.000 0.281 487 L C 0.826 177.656 176.870 -0.066 0.000 1.024 487 L CA -0.463 54.354 54.840 -0.039 0.000 0.810 487 L CB 1.758 43.777 42.059 -0.066 0.000 1.240 487 L HN 0.753 nan 8.230 nan 0.000 0.427 488 S N -1.218 114.427 115.700 -0.091 0.000 2.540 488 S HA 0.048 4.521 4.470 0.005 0.000 0.218 488 S C 0.716 175.226 174.600 -0.149 0.000 0.977 488 S CA -0.222 57.888 58.200 -0.150 0.000 0.918 488 S CB 0.051 63.162 63.200 -0.148 0.000 0.806 488 S HN 0.671 nan 8.310 nan 0.000 0.496 489 S N 1.230 116.875 115.700 -0.091 0.000 2.572 489 S HA 0.559 5.032 4.470 0.005 0.000 0.279 489 S C -0.191 174.390 174.600 -0.033 0.000 1.341 489 S CA -0.535 57.632 58.200 -0.055 0.000 1.043 489 S CB 0.917 64.091 63.200 -0.044 0.000 0.887 489 S HN 0.273 nan 8.310 nan 0.000 0.516 490 V N 2.409 122.339 119.914 0.027 0.000 2.735 490 V HA 0.571 4.694 4.120 0.005 0.000 0.310 490 V C -0.305 175.870 176.094 0.136 0.000 1.061 490 V CA -0.732 61.634 62.300 0.110 0.000 0.913 490 V CB 1.758 33.699 31.823 0.195 0.000 1.005 490 V HN 1.023 nan 8.190 nan 0.000 0.428 491 E N 1.826 122.141 120.200 0.191 0.000 2.312 491 E HA 0.830 5.183 4.350 0.005 0.000 0.267 491 E C -0.873 175.905 176.600 0.297 0.000 0.894 491 E CA -0.868 55.687 56.400 0.258 0.000 0.773 491 E CB 2.670 32.535 29.700 0.275 0.000 1.241 491 E HN 0.844 nan 8.360 nan 0.000 0.432 492 A N 1.994 124.926 122.820 0.186 0.000 2.356 492 A HA 0.464 4.787 4.320 0.005 0.000 0.310 492 A C -1.898 175.600 177.584 -0.144 0.000 1.075 492 A CA -0.532 51.406 52.037 -0.165 0.000 0.746 492 A CB 0.748 19.342 19.000 -0.677 0.000 1.221 492 A HN 0.619 nan 8.150 nan 0.000 0.443 493 Y N 3.227 123.110 120.300 -0.694 0.000 2.331 493 Y HA 0.391 4.944 4.550 0.005 0.000 0.338 493 Y C 0.063 175.513 175.900 -0.751 0.000 0.976 493 Y CA -1.035 56.368 58.100 -1.161 0.000 1.137 493 Y CB 1.075 38.464 38.460 -1.784 0.000 1.172 493 Y HN 0.679 nan 8.280 nan 0.000 0.478 494 N N 7.296 125.324 118.700 -1.119 0.000 2.402 494 N HA 0.040 4.783 4.740 0.005 0.000 0.252 494 N C 1.224 175.971 175.510 -1.272 0.000 1.118 494 N CA 0.146 52.494 53.050 -1.170 0.000 0.945 494 N CB 0.412 38.430 38.487 -0.782 0.000 1.147 494 N HN 0.954 nan 8.380 nan 0.000 0.495 495 I N 1.502 121.514 120.570 -0.930 0.000 2.394 495 I HA -0.157 4.016 4.170 0.005 0.000 0.251 495 I C 2.250 178.143 176.117 -0.372 0.000 1.136 495 I CA 0.845 61.780 61.300 -0.609 0.000 1.425 495 I CB -0.250 37.604 38.000 -0.244 0.000 1.079 495 I HN 0.294 nan 8.210 nan 0.000 0.425 496 R N 1.805 122.094 120.500 -0.350 0.000 2.092 496 R HA -0.077 4.266 4.340 0.005 0.000 0.231 496 R C 2.190 178.362 176.300 -0.212 0.000 1.119 496 R CA 2.023 57.992 56.100 -0.219 0.000 0.970 496 R CB -2.100 28.089 30.300 -0.185 0.000 0.864 496 R HN 0.761 nan 8.270 nan 0.000 0.440 497 T N -3.165 111.206 114.554 -0.305 0.000 3.134 497 T HA 0.208 4.561 4.350 0.005 0.000 0.260 497 T C 0.293 174.854 174.700 -0.232 0.000 1.027 497 T CA 0.509 62.472 62.100 -0.228 0.000 0.913 497 T CB -0.014 68.732 68.868 -0.203 0.000 1.046 497 T HN 0.458 nan 8.240 nan 0.000 0.553 498 D N 1.941 122.144 120.400 -0.327 0.000 2.706 498 D HA -0.175 4.468 4.640 0.005 0.000 0.230 498 D C -0.238 176.015 176.300 -0.078 0.000 1.184 498 D CA 1.062 54.968 54.000 -0.156 0.000 0.628 498 D CB -1.333 39.527 40.800 0.099 0.000 1.019 498 D HN 0.816 nan 8.370 nan 0.000 0.415 499 S N -1.328 114.156 115.700 -0.361 0.000 2.549 499 S HA 0.734 5.207 4.470 0.005 0.000 0.280 499 S C -0.592 173.877 174.600 -0.218 0.000 1.109 499 S CA -1.137 56.989 58.200 -0.122 0.000 0.905 499 S CB 1.051 64.212 63.200 -0.065 0.000 1.081 499 S HN 0.228 nan 8.310 nan 0.000 0.477 500 W N 1.531 122.894 121.300 0.104 0.000 2.496 500 W HA 0.647 5.310 4.660 0.004 0.000 0.327 500 W C 0.411 176.959 176.519 0.049 0.000 1.086 500 W CA -0.114 57.295 57.345 0.107 0.000 1.222 500 W CB 2.095 31.623 29.460 0.113 0.000 1.304 500 W HN 0.919 nan 8.180 nan 0.000 0.547 501 T N -1.238 113.490 114.554 0.289 0.000 2.903 501 T HA 0.522 4.875 4.350 0.005 0.000 0.299 501 T C -0.420 174.383 174.700 0.171 0.000 1.093 501 T CA -0.914 61.291 62.100 0.175 0.000 1.002 501 T CB 1.343 70.266 68.868 0.092 0.000 1.127 501 T HN 0.168 nan 8.240 nan 0.000 0.488 502 T N 2.251 116.877 114.554 0.120 0.000 2.884 502 T HA 0.525 4.878 4.350 0.005 0.000 0.298 502 T C 0.116 174.871 174.700 0.092 0.000 0.998 502 T CA -0.413 61.746 62.100 0.099 0.000 1.124 502 T CB 0.687 69.596 68.868 0.069 0.000 0.931 502 T HN 0.620 nan 8.240 nan 0.000 0.531 503 V N 2.544 122.519 119.914 0.101 0.000 2.881 503 V HA 0.345 4.468 4.120 0.005 0.000 0.316 503 V C 0.732 176.895 176.094 0.115 0.000 1.070 503 V CA -1.062 61.301 62.300 0.104 0.000 0.976 503 V CB 1.965 33.850 31.823 0.104 0.000 1.038 503 V HN 0.955 nan 8.190 nan 0.000 0.446 504 T N 2.718 117.359 114.554 0.145 0.000 2.923 504 T HA 0.017 4.370 4.350 0.005 0.000 0.304 504 T C 0.503 175.366 174.700 0.271 0.000 1.044 504 T CA 0.342 62.570 62.100 0.213 0.000 1.141 504 T CB 0.087 69.138 68.868 0.305 0.000 1.023 504 T HN 0.763 nan 8.240 nan 0.000 0.533 505 S N 3.422 119.214 115.700 0.155 0.000 2.603 505 S HA 0.299 4.772 4.470 0.005 0.000 0.268 505 S C 0.797 175.268 174.600 -0.215 0.000 1.317 505 S CA -0.786 57.409 58.200 -0.009 0.000 1.012 505 S CB 0.447 63.625 63.200 -0.036 0.000 0.926 505 S HN 0.549 nan 8.310 nan 0.000 0.539 506 M N 1.705 120.920 119.600 -0.641 0.000 2.207 506 M HA 0.030 4.513 4.480 0.005 0.000 0.311 506 M C 2.028 178.101 176.300 -0.380 0.000 1.127 506 M CA -0.016 54.685 55.300 -0.999 0.000 1.181 506 M CB 0.132 32.148 32.600 -0.975 0.000 1.409 506 M HN 0.940 nan 8.290 nan 0.000 0.461 507 T N -2.889 111.517 114.554 -0.248 0.000 2.929 507 T HA -0.062 4.291 4.350 0.005 0.000 0.271 507 T C 0.681 175.323 174.700 -0.096 0.000 1.085 507 T CA 1.297 63.348 62.100 -0.081 0.000 1.125 507 T CB -0.212 68.649 68.868 -0.012 0.000 0.874 507 T HN 0.761 nan 8.240 nan 0.000 0.494 508 T N 1.036 115.500 114.554 -0.150 0.000 2.885 508 T HA 0.504 4.857 4.350 0.005 0.000 0.322 508 T C -3.282 171.329 174.700 -0.148 0.000 1.387 508 T CA -1.722 60.305 62.100 -0.122 0.000 1.041 508 T CB 1.806 70.617 68.868 -0.094 0.000 1.287 508 T HN -0.177 nan 8.240 nan 0.000 0.491 509 P HA 0.366 nan 4.420 nan 0.000 0.266 509 P C -1.025 176.211 177.300 -0.107 0.000 1.195 509 P CA -0.016 63.022 63.100 -0.103 0.000 0.768 509 P CB 0.264 31.922 31.700 -0.070 0.000 0.838 510 R N 1.810 122.260 120.500 -0.084 0.000 2.512 510 R HA 0.492 4.835 4.340 0.005 0.000 0.291 510 R C -0.887 175.406 176.300 -0.010 0.000 1.097 510 R CA -0.591 55.481 56.100 -0.047 0.000 0.940 510 R CB 1.003 31.269 30.300 -0.056 0.000 1.198 510 R HN 0.622 nan 8.270 nan 0.000 0.429 511 C N 0.503 119.820 119.300 0.027 0.000 2.667 511 C HA 0.623 5.086 4.460 0.005 0.000 0.323 511 C C -0.007 175.003 174.990 0.033 0.000 1.214 511 C CA -1.056 57.939 59.018 -0.038 0.000 1.721 511 C CB 0.217 27.915 27.740 -0.070 0.000 2.275 511 C HN 0.989 nan 8.230 nan 0.000 0.491 512 Y N -0.940 119.448 120.300 0.147 0.000 3.168 512 Y HA -0.128 4.425 4.550 0.005 0.000 0.207 512 Y C 0.273 176.250 175.900 0.129 0.000 1.280 512 Y CA 1.077 59.261 58.100 0.139 0.000 1.235 512 Y CB -1.871 36.676 38.460 0.145 0.000 1.370 512 Y HN 0.869 nan 8.280 nan 0.000 0.537 513 V N 0.458 120.485 119.914 0.189 0.000 2.483 513 V HA 0.887 5.010 4.120 0.005 0.000 0.295 513 V C 0.850 177.041 176.094 0.163 0.000 1.035 513 V CA 0.028 62.418 62.300 0.149 0.000 0.896 513 V CB 1.671 33.545 31.823 0.085 0.000 0.986 513 V HN 0.545 nan 8.190 nan 0.000 0.447 514 G N 4.484 113.385 108.800 0.167 0.000 2.476 514 G HA2 0.690 4.653 3.960 0.005 0.000 0.269 514 G HA3 0.690 4.653 3.960 0.005 0.000 0.269 514 G C -0.488 174.525 174.900 0.189 0.000 1.195 514 G CA 0.073 45.279 45.100 0.177 0.000 0.843 514 G HN 1.506 nan 8.290 nan 0.000 0.545 515 A N 0.509 123.448 122.820 0.198 0.000 2.449 515 A HA 0.897 5.220 4.320 0.005 0.000 0.302 515 A C -0.273 177.437 177.584 0.211 0.000 1.048 515 A CA -0.298 51.874 52.037 0.225 0.000 0.708 515 A CB 2.211 21.348 19.000 0.229 0.000 1.274 515 A HN 1.264 nan 8.150 nan 0.000 0.410 516 T N -0.307 114.385 114.554 0.230 0.000 2.693 516 T HA 0.564 4.918 4.350 0.005 0.000 0.304 516 T C -1.897 172.933 174.700 0.217 0.000 1.471 516 T CA -0.186 62.027 62.100 0.188 0.000 0.993 516 T CB 1.253 70.202 68.868 0.136 0.000 1.554 516 T HN 1.074 nan 8.240 nan 0.000 0.496 517 V N 2.531 122.542 119.914 0.162 0.000 2.487 517 V HA 0.624 4.747 4.120 0.005 0.000 0.298 517 V C -0.698 175.463 176.094 0.110 0.000 1.028 517 V CA -0.665 61.739 62.300 0.173 0.000 0.860 517 V CB 1.456 33.353 31.823 0.123 0.000 0.991 517 V HN 0.694 nan 8.190 nan 0.000 0.427 518 L N 5.218 126.526 121.223 0.141 0.000 2.343 518 L HA 0.673 5.016 4.340 0.005 0.000 0.278 518 L C 0.797 177.736 176.870 0.114 0.000 0.996 518 L CA -0.692 54.161 54.840 0.021 0.000 0.831 518 L CB 1.664 43.585 42.059 -0.230 0.000 1.232 518 L HN 0.884 nan 8.230 nan 0.000 0.413 519 R N 2.337 122.870 120.500 0.056 0.000 3.336 519 R HA -0.112 4.231 4.340 0.005 0.000 0.260 519 R C 0.989 177.319 176.300 0.050 0.000 1.032 519 R CA 1.453 57.581 56.100 0.048 0.000 0.693 519 R CB -3.060 27.267 30.300 0.044 0.000 1.134 519 R HN 1.635 nan 8.270 nan 0.000 0.433 520 G N -1.925 106.901 108.800 0.045 0.000 2.148 520 G HA2 -0.279 3.684 3.960 0.005 0.000 0.254 520 G HA3 -0.279 3.684 3.960 0.005 0.000 0.254 520 G C 0.213 175.099 174.900 -0.024 0.000 0.981 520 G CA 0.723 45.830 45.100 0.012 0.000 0.670 520 G HN 1.211 nan 8.290 nan 0.000 0.528 521 R N -0.997 119.518 120.500 0.026 0.000 2.686 521 R HA 0.613 4.956 4.340 0.005 0.000 0.286 521 R C -0.735 175.576 176.300 0.018 0.000 0.969 521 R CA -1.100 54.959 56.100 -0.068 0.000 0.898 521 R CB 1.898 32.128 30.300 -0.117 0.000 1.183 521 R HN 0.201 nan 8.270 nan 0.000 0.456 522 L N 2.723 123.859 121.223 -0.144 0.000 2.290 522 L HA 0.315 4.658 4.340 0.005 0.000 0.284 522 L C -1.396 175.480 176.870 0.009 0.000 1.078 522 L CA 0.042 54.861 54.840 -0.035 0.000 0.815 522 L CB 0.186 42.124 42.059 -0.202 0.000 1.162 522 L HN 0.393 nan 8.230 nan 0.000 0.435 523 Y N 4.013 124.395 120.300 0.137 0.000 2.377 523 Y HA 0.712 5.266 4.550 0.006 0.000 0.339 523 Y C 0.304 176.364 175.900 0.268 0.000 1.011 523 Y CA -0.546 57.679 58.100 0.209 0.000 1.093 523 Y CB 1.851 40.400 38.460 0.148 0.000 1.201 523 Y HN 0.741 nan 8.280 nan 0.000 0.455 524 A N 4.413 127.486 122.820 0.421 0.000 2.303 524 A HA 0.787 5.110 4.320 0.005 0.000 0.320 524 A C -1.101 176.614 177.584 0.220 0.000 1.192 524 A CA -0.605 51.594 52.037 0.270 0.000 0.821 524 A CB 0.136 19.201 19.000 0.108 0.000 1.188 524 A HN 0.696 nan 8.150 nan 0.000 0.492 525 I N 2.658 123.344 120.570 0.193 0.000 2.382 525 I HA 0.571 4.744 4.170 0.005 0.000 0.285 525 I C 0.818 177.010 176.117 0.125 0.000 1.007 525 I CA 0.901 62.309 61.300 0.179 0.000 1.142 525 I CB 1.047 39.170 38.000 0.205 0.000 1.289 525 I HN 1.221 nan 8.210 nan 0.000 0.453 526 A N 4.789 127.662 122.820 0.088 0.000 5.581 526 A HA 0.230 4.553 4.320 0.005 0.000 0.286 526 A C 0.826 178.457 177.584 0.078 0.000 2.048 526 A CA 0.554 52.628 52.037 0.061 0.000 0.715 526 A CB -1.979 17.052 19.000 0.052 0.000 1.192 526 A HN 2.337 nan 8.150 nan 0.000 0.364 527 G N -3.698 105.168 108.800 0.110 0.000 2.566 527 G HA2 0.449 4.412 3.960 0.005 0.000 0.599 527 G HA3 0.449 4.412 3.960 0.005 0.000 0.599 527 G C -0.644 174.368 174.900 0.188 0.000 1.292 527 G CA 0.335 45.528 45.100 0.156 0.000 0.922 527 G HN 2.481 nan 8.290 nan 0.000 0.514 528 Y N 1.747 122.070 120.300 0.038 0.000 2.331 528 Y HA 0.555 5.109 4.550 0.007 0.000 0.338 528 Y C 1.084 176.926 175.900 -0.096 0.000 0.992 528 Y CA -0.765 57.319 58.100 -0.027 0.000 1.121 528 Y CB 1.557 40.011 38.460 -0.011 0.000 1.184 528 Y HN 0.648 nan 8.280 nan 0.000 0.469 529 D N 2.376 122.558 120.400 -0.363 0.000 2.328 529 D HA 0.192 4.836 4.640 0.005 0.000 0.221 529 D C 1.503 177.370 176.300 -0.722 0.000 1.072 529 D CA 0.626 54.379 54.000 -0.413 0.000 0.850 529 D CB 0.042 40.717 40.800 -0.207 0.000 0.922 529 D HN 0.906 nan 8.370 nan 0.000 0.516 530 G N 0.177 107.978 108.800 -1.666 0.000 2.213 530 G HA2 -0.300 3.663 3.960 0.005 0.000 0.236 530 G HA3 -0.300 3.663 3.960 0.005 0.000 0.236 530 G C 1.065 175.528 174.900 -0.728 0.000 0.991 530 G CA 0.265 44.462 45.100 -1.505 0.000 0.629 530 G HN 0.382 nan 8.290 nan 0.000 0.517 531 N N -0.558 117.868 118.700 -0.458 0.000 2.559 531 N HA 0.235 4.978 4.740 0.005 0.000 0.247 531 N C 0.760 176.340 175.510 0.117 0.000 1.063 531 N CA 1.214 54.222 53.050 -0.070 0.000 0.876 531 N CB 0.877 39.323 38.487 -0.068 0.000 1.608 531 N HN 0.925 nan 8.380 nan 0.000 0.467 532 S N 0.147 115.906 115.700 0.098 0.000 2.618 532 S HA 0.584 5.057 4.470 0.005 0.000 0.277 532 S C -0.698 174.036 174.600 0.225 0.000 1.138 532 S CA -0.835 57.462 58.200 0.161 0.000 0.844 532 S CB 1.231 64.464 63.200 0.056 0.000 1.127 532 S HN 0.037 nan 8.310 nan 0.000 0.474 533 L N 1.435 122.754 121.223 0.160 0.000 2.452 533 L HA 0.411 4.754 4.340 0.005 0.000 0.267 533 L C -0.465 176.439 176.870 0.057 0.000 1.188 533 L CA -0.500 54.414 54.840 0.122 0.000 0.821 533 L CB 0.117 42.207 42.059 0.051 0.000 1.102 533 L HN 0.576 nan 8.230 nan 0.000 0.470 534 L N 1.152 122.402 121.223 0.046 0.000 2.346 534 L HA 0.309 4.652 4.340 0.005 0.000 0.274 534 L C 0.754 177.613 176.870 -0.020 0.000 1.007 534 L CA -0.274 54.572 54.840 0.010 0.000 0.818 534 L CB 1.989 44.056 42.059 0.014 0.000 1.284 534 L HN 0.742 nan 8.230 nan 0.000 0.424 535 S N -1.547 114.123 115.700 -0.049 0.000 2.511 535 S HA 0.063 4.536 4.470 0.005 0.000 0.214 535 S C 0.684 175.220 174.600 -0.105 0.000 0.997 535 S CA -0.233 57.902 58.200 -0.108 0.000 0.908 535 S CB 0.113 63.237 63.200 -0.127 0.000 0.803 535 S HN 0.648 nan 8.310 nan 0.000 0.504 536 S N 1.180 116.857 115.700 -0.039 0.000 2.601 536 S HA 0.692 5.165 4.470 0.005 0.000 0.271 536 S C -0.605 174.021 174.600 0.043 0.000 1.305 536 S CA -0.652 57.548 58.200 -0.000 0.000 1.022 536 S CB 0.394 63.601 63.200 0.011 0.000 0.940 536 S HN 0.186 nan 8.310 nan 0.000 0.525 537 I N 1.653 122.277 120.570 0.091 0.000 2.498 537 I HA 0.425 4.598 4.170 0.005 0.000 0.290 537 I C -0.199 176.008 176.117 0.151 0.000 1.032 537 I CA -0.374 61.022 61.300 0.159 0.000 1.073 537 I CB 2.053 40.187 38.000 0.224 0.000 1.251 537 I HN 0.954 nan 8.210 nan 0.000 0.426 538 E N 4.935 125.239 120.200 0.174 0.000 2.312 538 E HA 0.722 5.075 4.350 0.005 0.000 0.267 538 E C -1.467 175.264 176.600 0.217 0.000 0.894 538 E CA -0.882 55.630 56.400 0.187 0.000 0.773 538 E CB 2.342 32.161 29.700 0.199 0.000 1.241 538 E HN 0.541 nan 8.360 nan 0.000 0.432 539 C N 2.651 121.994 119.300 0.072 0.000 2.563 539 C HA 0.655 5.118 4.460 0.005 0.000 0.314 539 C C -1.611 173.186 174.990 -0.321 0.000 1.199 539 C CA -0.455 58.355 59.018 -0.348 0.000 1.564 539 C CB 0.593 27.883 27.740 -0.751 0.000 2.173 539 C HN 0.820 nan 8.230 nan 0.000 0.485 540 Y N 4.364 124.142 120.300 -0.870 0.000 2.364 540 Y HA 0.584 5.136 4.550 0.004 0.000 0.340 540 Y C -0.521 174.945 175.900 -0.722 0.000 0.975 540 Y CA -0.323 57.039 58.100 -1.231 0.000 1.089 540 Y CB 1.054 38.178 38.460 -2.228 0.000 1.192 540 Y HN 0.788 nan 8.280 nan 0.000 0.454 541 D N 8.333 127.943 120.400 -1.317 0.000 2.481 541 D HA 0.291 4.935 4.640 0.005 0.000 0.246 541 D C -2.227 173.340 176.300 -1.221 0.000 1.109 541 D CA -2.254 51.159 54.000 -0.978 0.000 0.845 541 D CB 2.779 43.268 40.800 -0.519 0.000 1.160 541 D HN 0.348 nan 8.370 nan 0.000 0.534 542 P HA -0.061 nan 4.420 nan 0.000 0.221 542 P C 1.672 178.808 177.300 -0.274 0.000 1.150 542 P CA 0.308 63.105 63.100 -0.506 0.000 0.800 542 P CB 0.760 32.382 31.700 -0.130 0.000 0.787 543 I N 0.645 121.062 120.570 -0.255 0.000 2.233 543 I HA -0.129 4.044 4.170 0.005 0.000 0.243 543 I C 2.502 178.532 176.117 -0.145 0.000 1.093 543 I CA 1.349 62.557 61.300 -0.153 0.000 1.380 543 I CB -1.360 36.568 38.000 -0.121 0.000 1.067 543 I HN -0.004 nan 8.210 nan 0.000 0.413 544 I N -1.243 119.213 120.570 -0.191 0.000 3.578 544 I HA 0.112 4.285 4.170 0.005 0.000 0.295 544 I C 0.182 176.212 176.117 -0.145 0.000 1.280 544 I CA 0.242 61.455 61.300 -0.145 0.000 1.347 544 I CB -0.449 37.471 38.000 -0.134 0.000 1.051 544 I HN 0.085 nan 8.210 nan 0.000 0.460 545 D N 1.906 122.165 120.400 -0.236 0.000 2.812 545 D HA -0.226 4.417 4.640 0.005 0.000 0.237 545 D C -0.353 175.948 176.300 0.002 0.000 1.162 545 D CA 1.037 54.967 54.000 -0.115 0.000 0.740 545 D CB -0.847 39.973 40.800 0.033 0.000 1.000 545 D HN 0.583 nan 8.370 nan 0.000 0.416 546 S N 0.771 116.385 115.700 -0.144 0.000 2.546 546 S HA 0.635 5.108 4.470 0.005 0.000 0.272 546 S C -1.195 173.387 174.600 -0.031 0.000 1.140 546 S CA -0.835 57.365 58.200 -0.000 0.000 0.920 546 S CB 0.641 63.819 63.200 -0.036 0.000 1.083 546 S HN 0.280 nan 8.310 nan 0.000 0.476 547 W N 2.692 124.092 121.300 0.166 0.000 2.417 547 W HA 0.635 5.297 4.660 0.003 0.000 0.317 547 W C 0.344 176.880 176.519 0.029 0.000 1.121 547 W CA -0.282 57.127 57.345 0.107 0.000 1.208 547 W CB 1.021 30.535 29.460 0.090 0.000 1.253 547 W HN 0.457 nan 8.180 nan 0.000 0.533 548 E N 1.580 121.932 120.200 0.252 0.000 2.331 548 E HA 0.244 4.597 4.350 0.005 0.000 0.275 548 E C -1.199 175.480 176.600 0.131 0.000 0.895 548 E CA -1.079 55.412 56.400 0.151 0.000 0.753 548 E CB 2.231 31.977 29.700 0.075 0.000 1.216 548 E HN 0.072 nan 8.360 nan 0.000 0.434 549 V N 2.459 122.434 119.914 0.102 0.000 2.529 549 V HA -0.016 4.107 4.120 0.005 0.000 0.292 549 V C 1.435 177.576 176.094 0.077 0.000 1.028 549 V CA 0.377 62.728 62.300 0.084 0.000 1.074 549 V CB 0.562 32.421 31.823 0.061 0.000 0.958 549 V HN 0.637 nan 8.190 nan 0.000 0.481 550 V N 1.721 121.686 119.914 0.084 0.000 3.523 550 V HA 0.427 4.550 4.120 0.005 0.000 0.255 550 V C 0.567 176.723 176.094 0.102 0.000 1.226 550 V CA 0.917 63.275 62.300 0.096 0.000 1.092 550 V CB 0.585 32.481 31.823 0.122 0.000 0.817 550 V HN 0.856 nan 8.190 nan 0.000 0.458 551 T N -1.107 113.499 114.554 0.086 0.000 2.722 551 T HA 0.531 4.884 4.350 0.005 0.000 0.314 551 T C -1.541 173.233 174.700 0.124 0.000 1.675 551 T CA 0.124 62.300 62.100 0.127 0.000 1.003 551 T CB 1.862 70.763 68.868 0.055 0.000 1.602 551 T HN 0.313 nan 8.240 nan 0.000 0.496 552 S N 1.554 117.331 115.700 0.128 0.000 2.538 552 S HA 0.632 5.105 4.470 0.005 0.000 0.288 552 S C -0.162 174.211 174.600 -0.378 0.000 1.108 552 S CA -0.736 57.428 58.200 -0.060 0.000 0.971 552 S CB 1.362 64.532 63.200 -0.051 0.000 1.041 552 S HN 0.684 nan 8.310 nan 0.000 0.483 553 M N 1.474 120.609 119.600 -0.776 0.000 2.036 553 M HA 0.265 4.748 4.480 0.005 0.000 0.276 553 M C 1.733 177.680 176.300 -0.589 0.000 1.262 553 M CA 0.012 54.545 55.300 -1.277 0.000 1.097 553 M CB 0.094 32.028 32.600 -1.111 0.000 1.386 553 M HN 0.849 nan 8.290 nan 0.000 0.482 554 G N -0.256 108.264 108.800 -0.467 0.000 2.813 554 G HA2 0.038 4.002 3.960 0.005 0.000 0.209 554 G HA3 0.038 4.002 3.960 0.005 0.000 0.209 554 G C 0.260 175.111 174.900 -0.082 0.000 1.150 554 G CA 0.326 45.335 45.100 -0.152 0.000 0.785 554 G HN 0.722 nan 8.290 nan 0.000 0.535 555 T N -2.325 112.139 114.554 -0.149 0.000 2.863 555 T HA 0.629 4.982 4.350 0.005 0.000 0.285 555 T C -0.740 173.888 174.700 -0.121 0.000 1.009 555 T CA -0.749 61.296 62.100 -0.092 0.000 0.989 555 T CB 2.534 71.371 68.868 -0.050 0.000 1.004 555 T HN 0.045 nan 8.240 nan 0.000 0.455 556 Q N 1.594 121.341 119.800 -0.088 0.000 2.256 556 Q HA 0.608 4.951 4.340 0.005 0.000 0.254 556 Q C -0.074 175.891 176.000 -0.058 0.000 0.916 556 Q CA -0.679 55.082 55.803 -0.069 0.000 0.932 556 Q CB 1.253 29.959 28.738 -0.053 0.000 1.207 556 Q HN 0.724 nan 8.270 nan 0.000 0.426 557 R N 0.242 120.728 120.500 -0.024 0.000 2.734 557 R HA 0.800 5.143 4.340 0.005 0.000 0.271 557 R C -1.166 175.178 176.300 0.075 0.000 1.021 557 R CA -0.937 55.168 56.100 0.009 0.000 0.893 557 R CB 0.597 30.896 30.300 -0.001 0.000 1.244 557 R HN 0.757 nan 8.270 nan 0.000 0.464 558 C N -1.789 117.581 119.300 0.116 0.000 3.154 558 C HA 0.666 5.129 4.460 0.005 0.000 0.312 558 C C -0.494 174.585 174.990 0.148 0.000 1.349 558 C CA -0.122 58.999 59.018 0.170 0.000 1.518 558 C CB 1.259 29.138 27.740 0.231 0.000 1.934 558 C HN 1.121 nan 8.230 nan 0.000 0.462 559 D N -0.734 119.788 120.400 0.203 0.000 2.751 559 D HA -0.018 4.625 4.640 0.005 0.000 0.233 559 D C 0.133 176.515 176.300 0.138 0.000 1.149 559 D CA 1.072 55.181 54.000 0.182 0.000 0.682 559 D CB -1.739 39.131 40.800 0.117 0.000 1.068 559 D HN 1.450 nan 8.370 nan 0.000 0.429 560 A N 0.095 122.996 122.820 0.135 0.000 2.351 560 A HA 0.663 4.986 4.320 0.005 0.000 0.257 560 A C 1.166 178.831 177.584 0.134 0.000 1.087 560 A CA -0.027 52.079 52.037 0.114 0.000 0.798 560 A CB 0.881 19.943 19.000 0.103 0.000 1.033 560 A HN 0.759 nan 8.150 nan 0.000 0.488 561 G N -0.639 108.235 108.800 0.122 0.000 2.448 561 G HA2 0.568 4.532 3.960 0.005 0.000 0.285 561 G HA3 0.568 4.532 3.960 0.005 0.000 0.285 561 G C -0.252 174.734 174.900 0.145 0.000 1.176 561 G CA 0.337 45.519 45.100 0.136 0.000 0.852 561 G HN 1.895 nan 8.290 nan 0.000 0.530 562 V N -1.282 118.723 119.914 0.150 0.000 2.841 562 V HA 0.839 4.962 4.120 0.005 0.000 0.310 562 V C -0.061 176.113 176.094 0.134 0.000 1.090 562 V CA -0.821 61.568 62.300 0.148 0.000 0.930 562 V CB 0.835 32.752 31.823 0.157 0.000 1.014 562 V HN 1.603 nan 8.190 nan 0.000 0.425 563 C N 1.659 121.026 119.300 0.111 0.000 3.320 563 C HA 0.930 5.393 4.460 0.005 0.000 0.335 563 C C -0.810 174.198 174.990 0.030 0.000 1.430 563 C CA -0.581 58.487 59.018 0.083 0.000 1.271 563 C CB 1.031 28.828 27.740 0.096 0.000 1.609 563 C HN 1.115 nan 8.230 nan 0.000 0.457 564 V N 1.345 121.262 119.914 0.005 0.000 2.555 564 V HA 0.675 4.798 4.120 0.005 0.000 0.302 564 V C -0.452 175.593 176.094 -0.081 0.000 1.038 564 V CA -0.292 61.978 62.300 -0.049 0.000 0.887 564 V CB 1.483 33.287 31.823 -0.031 0.000 0.991 564 V HN 0.817 nan 8.190 nan 0.000 0.434 565 L N 4.176 125.298 121.223 -0.168 0.000 2.334 565 L HA 0.613 4.956 4.340 0.005 0.000 0.276 565 L C 0.215 177.001 176.870 -0.139 0.000 1.014 565 L CA -0.353 54.364 54.840 -0.204 0.000 0.815 565 L CB 1.742 43.506 42.059 -0.490 0.000 1.268 565 L HN 0.524 nan 8.230 nan 0.000 0.428 566 R N 2.444 122.907 120.500 -0.062 0.000 2.297 566 R HA 0.336 4.679 4.340 0.005 0.000 0.308 566 R C -0.574 175.738 176.300 0.019 0.000 1.029 566 R CA -0.378 55.710 56.100 -0.020 0.000 0.929 566 R CB 0.985 31.288 30.300 0.006 0.000 1.046 566 R HN 0.664 nan 8.270 nan 0.000 0.461 567 E N 0.000 120.221 120.200 0.035 0.000 2.725 567 E HA 0.000 4.353 4.350 0.005 0.000 0.291 567 E CA 0.000 56.452 56.400 0.086 0.000 0.976 567 E CB 0.000 29.758 29.700 0.097 0.000 0.812 567 E HN 0.000 nan 8.360 nan 0.000 0.440