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 3ls8_1_B DATA FIRST_RESID 296 DATA SEQUENCE LNIIVSYPPT KQLTYEEQDL VWKFRYYLTN QEKALTKFLK CVNWDLPQEA DATA SEQUENCE KQALELLGKW KPMDVEDSLE LLSSHYTNPT VRRYAVARLR QADDEDLLMY DATA SEQUENCE LLQLVQALKY ENFDDIKNGL EXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXLEQDL CTFLISRACK NSTLANYLYW DATA SEQUENCE YVIVECEDQD TQQRDPKTHE MYLNVMRRFS QALLKGDKSV RVMRSLLAAQ DATA SEQUENCE QTFVDRLVHL MKAVQRESGN RKKKNERLQA LLGDNEKMNL SDVELIPLPL DATA SEQUENCE EPQVKIRGII PETATLFKSA LMPAQLFFKT EDGGKYPVIF KHGDDLRQDQ DATA SEQUENCE LILQIISLMD KLLRKENLDL KLTPYKVLAT STKHGFMQFI QSVPVAEVLD DATA SEQUENCE TEGSIQNFFR KYAPSENGPN GISAEVMDTY VKSCAGYCVI TYILGVGDRH DATA SEQUENCE LDNLLLTKTG KLFHIDFGYI LGRDPKPLPP PMKLNKEMVE GMGGTQSEQY DATA SEQUENCE QEFRKQCYTA FLHLRRYSNL ILNLFSLMVD ANIPDIALEP DKTVKKVQDK DATA SEQUENCE FRLDLSDEEA VHYMQSLIDE SVHALF 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 296 L HA 0.000 nan 4.340 nan 0.000 0.249 296 L C 0.000 176.865 176.870 -0.008 0.000 1.165 296 L CA 0.000 54.840 54.840 -0.000 0.000 0.813 296 L CB 0.000 42.090 42.059 0.052 0.000 0.961 297 N N 1.072 119.755 118.700 -0.028 0.000 2.309 297 N HA 0.007 4.747 4.740 0.000 0.000 0.182 297 N C 1.696 177.133 175.510 -0.122 0.000 1.018 297 N CA 1.211 54.232 53.050 -0.047 0.000 0.876 297 N CB 0.146 38.611 38.487 -0.036 0.000 0.972 297 N HN 0.245 nan 8.380 nan 0.000 0.434 298 I N 0.987 121.457 120.570 -0.167 0.000 2.252 298 I HA -0.140 4.031 4.170 0.000 0.000 0.245 298 I C 1.966 177.729 176.117 -0.591 0.000 1.102 298 I CA 0.859 61.969 61.300 -0.316 0.000 1.385 298 I CB -0.640 37.209 38.000 -0.253 0.000 1.064 298 I HN 0.086 nan 8.210 nan 0.000 0.414 299 I N -0.061 120.291 120.570 -0.363 0.000 2.353 299 I HA -0.187 3.983 4.170 0.000 0.000 0.248 299 I C 2.448 178.507 176.117 -0.098 0.000 1.119 299 I CA 0.757 61.901 61.300 -0.260 0.000 1.417 299 I CB -0.262 37.759 38.000 0.036 0.000 1.078 299 I HN -0.037 nan 8.210 nan 0.000 0.421 300 V N 0.711 120.586 119.914 -0.064 0.000 2.453 300 V HA -0.188 3.932 4.120 0.000 0.000 0.247 300 V C 2.538 178.619 176.094 -0.022 0.000 1.048 300 V CA 1.968 64.273 62.300 0.009 0.000 1.049 300 V CB -0.544 31.298 31.823 0.032 0.000 0.672 300 V HN 0.569 nan 8.190 nan 0.000 0.457 301 S N -1.680 113.954 115.700 -0.109 0.000 2.515 301 S HA -0.045 4.426 4.470 0.000 0.000 0.231 301 S C 0.837 175.420 174.600 -0.028 0.000 0.987 301 S CA 0.064 58.211 58.200 -0.088 0.000 0.936 301 S CB -0.563 62.562 63.200 -0.124 0.000 0.766 301 S HN 0.447 nan 8.310 nan 0.000 0.528 302 Y N 3.827 124.118 120.300 -0.015 0.000 2.709 302 Y HA 0.241 4.791 4.550 0.000 0.000 0.348 302 Y C -1.662 174.219 175.900 -0.032 0.000 1.267 302 Y CA -2.061 56.026 58.100 -0.022 0.000 1.486 302 Y CB -0.313 38.138 38.460 -0.015 0.000 1.356 302 Y HN 0.200 nan 8.280 nan 0.000 0.639 303 P HA 0.112 nan 4.420 nan 0.000 0.276 303 P C -2.251 175.064 177.300 0.025 0.000 1.252 303 P CA -1.574 61.555 63.100 0.048 0.000 0.802 303 P CB 0.766 32.478 31.700 0.022 0.000 1.035 304 P HA -0.053 nan 4.420 nan 0.000 0.229 304 P C 0.958 178.229 177.300 -0.048 0.000 1.160 304 P CA 1.317 64.412 63.100 -0.008 0.000 0.777 304 P CB -0.427 31.273 31.700 -0.000 0.000 0.814 305 T N -4.526 109.993 114.554 -0.058 0.000 3.086 305 T HA 0.162 4.512 4.350 0.000 0.000 0.250 305 T C 0.766 175.387 174.700 -0.133 0.000 1.074 305 T CA -0.271 61.774 62.100 -0.093 0.000 0.988 305 T CB -0.189 68.643 68.868 -0.061 0.000 0.988 305 T HN -0.135 nan 8.240 nan 0.000 0.530 306 K N 2.982 123.289 120.400 -0.156 0.000 2.416 306 K HA 0.118 4.439 4.320 0.000 0.000 0.283 306 K C 0.211 176.651 176.600 -0.266 0.000 1.037 306 K CA -0.065 56.068 56.287 -0.258 0.000 0.995 306 K CB 0.302 32.539 32.500 -0.438 0.000 0.938 306 K HN 0.080 nan 8.250 nan 0.000 0.475 307 Q N 3.166 122.818 119.800 -0.247 0.000 2.314 307 Q HA 0.196 4.536 4.340 0.000 0.000 0.258 307 Q C -0.742 175.120 176.000 -0.229 0.000 0.954 307 Q CA -0.348 55.326 55.803 -0.216 0.000 0.890 307 Q CB 0.902 29.530 28.738 -0.183 0.000 1.210 307 Q HN 0.444 nan 8.270 nan 0.000 0.410 308 L N 1.987 123.104 121.223 -0.175 0.000 2.296 308 L HA 0.312 4.652 4.340 0.000 0.000 0.286 308 L C 0.822 177.596 176.870 -0.160 0.000 1.023 308 L CA -0.445 54.322 54.840 -0.122 0.000 0.812 308 L CB 1.269 43.307 42.059 -0.036 0.000 1.223 308 L HN 0.610 nan 8.230 nan 0.000 0.421 309 T N -1.485 112.987 114.554 -0.137 0.000 2.766 309 T HA 0.124 4.474 4.350 0.000 0.000 0.295 309 T C 1.232 175.847 174.700 -0.141 0.000 1.024 309 T CA -0.037 61.942 62.100 -0.202 0.000 1.018 309 T CB 0.356 69.168 68.868 -0.092 0.000 1.002 309 T HN 0.368 nan 8.240 nan 0.000 0.532 310 Y N -0.152 120.150 120.300 0.003 0.000 2.207 310 Y HA -0.055 4.496 4.550 0.000 0.000 0.287 310 Y C 2.775 178.693 175.900 0.030 0.000 1.156 310 Y CA 1.608 59.711 58.100 0.005 0.000 1.182 310 Y CB -0.627 37.829 38.460 -0.006 0.000 0.979 310 Y HN 0.829 nan 8.280 nan 0.000 0.521 311 E N 0.234 120.540 120.200 0.176 0.000 2.072 311 E HA -0.203 4.147 4.350 0.000 0.000 0.191 311 E C 1.859 178.529 176.600 0.117 0.000 0.985 311 E CA 1.196 57.674 56.400 0.130 0.000 0.801 311 E CB 0.012 29.770 29.700 0.097 0.000 0.750 311 E HN 0.578 nan 8.360 nan 0.000 0.452 312 E N 0.116 120.375 120.200 0.099 0.000 2.106 312 E HA -0.209 4.141 4.350 0.000 0.000 0.192 312 E C 2.215 178.896 176.600 0.136 0.000 0.984 312 E CA 0.962 57.428 56.400 0.111 0.000 0.806 312 E CB 0.011 29.774 29.700 0.106 0.000 0.750 312 E HN 0.332 nan 8.360 nan 0.000 0.458 313 Q N 0.486 120.360 119.800 0.122 0.000 2.083 313 Q HA -0.150 4.190 4.340 0.000 0.000 0.198 313 Q C 1.629 177.761 176.000 0.220 0.000 0.969 313 Q CA 1.155 57.043 55.803 0.141 0.000 0.838 313 Q CB 0.071 28.859 28.738 0.083 0.000 0.900 313 Q HN 0.189 nan 8.270 nan 0.000 0.436 314 D N 0.626 121.154 120.400 0.213 0.000 2.178 314 D HA -0.137 4.503 4.640 0.000 0.000 0.201 314 D C 1.690 178.170 176.300 0.300 0.000 0.980 314 D CA 0.634 54.794 54.000 0.267 0.000 0.842 314 D CB -0.055 40.864 40.800 0.199 0.000 0.948 314 D HN 0.067 nan 8.370 nan 0.000 0.472 315 L N 0.158 121.520 121.223 0.231 0.000 2.027 315 L HA -0.120 4.220 4.340 0.000 0.000 0.206 315 L C 2.168 179.200 176.870 0.269 0.000 1.074 315 L CA 1.168 56.133 54.840 0.208 0.000 0.745 315 L CB -0.271 41.862 42.059 0.123 0.000 0.898 315 L HN -0.100 nan 8.230 nan 0.000 0.433 316 V N -1.071 119.016 119.914 0.289 0.000 2.358 316 V HA -0.319 3.802 4.120 0.000 0.000 0.246 316 V C 2.142 178.513 176.094 0.461 0.000 1.047 316 V CA 2.104 64.618 62.300 0.357 0.000 1.035 316 V CB -0.972 31.054 31.823 0.338 0.000 0.658 316 V HN 0.720 nan 8.190 nan 0.000 0.452 317 W N 1.294 122.751 121.300 0.260 0.000 2.358 317 W HA -0.213 4.448 4.660 0.000 0.000 0.303 317 W C 2.432 179.104 176.519 0.254 0.000 1.208 317 W CA 2.100 59.603 57.345 0.264 0.000 1.274 317 W CB 0.001 29.544 29.460 0.139 0.000 1.138 317 W HN 0.234 nan 8.180 nan 0.000 0.515 318 K N -0.109 120.404 120.400 0.188 0.000 2.031 318 K HA -0.160 4.160 4.320 0.000 0.000 0.205 318 K C 1.148 177.756 176.600 0.012 0.000 1.049 318 K CA 1.239 57.556 56.287 0.049 0.000 0.939 318 K CB -0.684 31.957 32.500 0.234 0.000 0.717 318 K HN -0.024 nan 8.250 nan 0.000 0.438 319 F N 2.058 122.028 119.950 0.034 0.000 2.954 319 F HA 0.163 4.690 4.527 0.000 0.000 0.300 319 F C 1.368 177.216 175.800 0.080 0.000 1.206 319 F CA -0.393 57.644 58.000 0.062 0.000 1.345 319 F CB 0.278 39.315 39.000 0.062 0.000 1.206 319 F HN 0.081 nan 8.300 nan 0.000 0.537 320 R N -1.479 119.040 120.500 0.031 0.000 2.119 320 R HA -0.139 4.201 4.340 0.000 0.000 0.222 320 R C 1.044 177.103 176.300 -0.402 0.000 1.088 320 R CA 1.393 57.405 56.100 -0.146 0.000 0.984 320 R CB -0.763 29.325 30.300 -0.354 0.000 0.884 320 R HN 0.301 nan 8.270 nan 0.000 0.447 321 Y N 0.344 120.485 120.300 -0.265 0.000 2.242 321 Y HA -0.185 4.365 4.550 0.000 0.000 0.291 321 Y C 2.380 178.117 175.900 -0.271 0.000 1.137 321 Y CA 1.453 59.370 58.100 -0.305 0.000 1.181 321 Y CB -0.436 37.878 38.460 -0.243 0.000 0.989 321 Y HN 0.122 nan 8.280 nan 0.000 0.527 322 Y N 0.101 120.347 120.300 -0.090 0.000 2.242 322 Y HA -0.183 4.367 4.550 0.000 0.000 0.291 322 Y C 1.727 177.522 175.900 -0.175 0.000 1.137 322 Y CA 1.374 59.434 58.100 -0.067 0.000 1.181 322 Y CB -0.588 37.945 38.460 0.122 0.000 0.989 322 Y HN 0.036 nan 8.280 nan 0.000 0.527 323 L N 0.422 121.439 121.223 -0.344 0.000 2.362 323 L HA -0.147 4.194 4.340 0.000 0.000 0.219 323 L C 2.447 178.755 176.870 -0.937 0.000 1.134 323 L CA 1.428 56.002 54.840 -0.443 0.000 0.807 323 L CB -0.890 41.217 42.059 0.080 0.000 0.927 323 L HN 0.428 nan 8.230 nan 0.000 0.447 324 T N -3.873 109.829 114.554 -1.421 0.000 2.946 324 T HA -0.194 4.156 4.350 0.000 0.000 0.271 324 T C 1.658 175.772 174.700 -0.977 0.000 1.104 324 T CA 1.397 62.396 62.100 -1.836 0.000 1.114 324 T CB -0.389 67.800 68.868 -1.133 0.000 0.867 324 T HN 0.205 nan 8.240 nan 0.000 0.513 325 N N 1.424 119.738 118.700 -0.642 0.000 2.409 325 N HA -0.012 4.728 4.740 0.000 0.000 0.179 325 N C 0.358 175.717 175.510 -0.252 0.000 1.032 325 N CA 0.493 53.313 53.050 -0.383 0.000 0.898 325 N CB -0.131 38.143 38.487 -0.356 0.000 0.971 325 N HN 0.630 nan 8.380 nan 0.000 0.441 326 Q N 0.666 120.331 119.800 -0.225 0.000 2.431 326 Q HA 0.086 4.427 4.340 0.000 0.000 0.249 326 Q C 0.668 176.802 176.000 0.223 0.000 1.025 326 Q CA -0.491 55.301 55.803 -0.019 0.000 0.835 326 Q CB 1.301 30.022 28.738 -0.028 0.000 1.207 326 Q HN 0.319 nan 8.270 nan 0.000 0.490 327 E N 2.734 123.046 120.200 0.187 0.000 2.160 327 E HA -0.234 4.116 4.350 0.000 0.000 0.195 327 E C 0.516 177.230 176.600 0.189 0.000 0.991 327 E CA 1.241 57.796 56.400 0.257 0.000 0.810 327 E CB 0.132 29.921 29.700 0.148 0.000 0.742 327 E HN 0.291 nan 8.360 nan 0.000 0.466 328 K N 0.629 121.107 120.400 0.131 0.000 2.365 328 K HA 0.122 4.443 4.320 0.000 0.000 0.199 328 K C 1.903 178.563 176.600 0.100 0.000 1.045 328 K CA 0.938 57.275 56.287 0.082 0.000 0.962 328 K CB -0.152 32.377 32.500 0.048 0.000 0.759 328 K HN 0.278 nan 8.250 nan 0.000 0.469 329 A N 0.818 123.757 122.820 0.198 0.000 2.123 329 A HA -0.034 4.286 4.320 0.000 0.000 0.214 329 A C 2.017 179.645 177.584 0.073 0.000 1.152 329 A CA 0.343 52.524 52.037 0.239 0.000 0.728 329 A CB -0.232 19.014 19.000 0.411 0.000 0.814 329 A HN 0.164 nan 8.150 nan 0.000 0.464 330 L N 0.842 121.924 121.223 -0.235 0.000 2.046 330 L HA -0.151 4.189 4.340 0.000 0.000 0.208 330 L C 2.727 179.386 176.870 -0.352 0.000 1.077 330 L CA 2.945 57.255 54.840 -0.883 0.000 0.747 330 L CB -1.075 40.374 42.059 -1.016 0.000 0.896 330 L HN 0.564 nan 8.230 nan 0.000 0.432 331 T N -3.557 110.911 114.554 -0.143 0.000 2.746 331 T HA -0.168 4.182 4.350 0.000 0.000 0.267 331 T C 1.926 176.658 174.700 0.053 0.000 1.039 331 T CA 1.026 63.109 62.100 -0.028 0.000 1.142 331 T CB -0.400 68.472 68.868 0.007 0.000 0.866 331 T HN 0.159 nan 8.240 nan 0.000 0.444 332 K N 0.790 121.229 120.400 0.065 0.000 2.097 332 K HA 0.073 4.394 4.320 0.000 0.000 0.206 332 K C 1.863 178.547 176.600 0.141 0.000 1.049 332 K CA 0.846 57.202 56.287 0.114 0.000 0.933 332 K CB -0.969 31.621 32.500 0.151 0.000 0.717 332 K HN 0.532 nan 8.250 nan 0.000 0.442 333 F N 1.774 121.708 119.950 -0.027 0.000 2.113 333 F HA -0.098 4.429 4.527 0.000 0.000 0.297 333 F C 1.839 177.669 175.800 0.050 0.000 1.103 333 F CA 1.144 59.142 58.000 -0.002 0.000 1.248 333 F CB -0.297 38.577 39.000 -0.210 0.000 0.999 333 F HN -0.136 nan 8.300 nan 0.000 0.475 334 L N -0.012 121.162 121.223 -0.082 0.000 2.191 334 L HA -0.180 4.160 4.340 0.000 0.000 0.212 334 L C 2.113 179.136 176.870 0.255 0.000 1.103 334 L CA 1.322 56.205 54.840 0.073 0.000 0.769 334 L CB -0.605 41.631 42.059 0.294 0.000 0.908 334 L HN 0.079 nan 8.230 nan 0.000 0.438 335 K N -0.508 119.998 120.400 0.177 0.000 2.418 335 K HA -0.054 4.266 4.320 0.000 0.000 0.195 335 K C 1.854 178.466 176.600 0.021 0.000 1.035 335 K CA 0.722 57.101 56.287 0.154 0.000 1.003 335 K CB 0.002 32.536 32.500 0.056 0.000 0.793 335 K HN 0.512 nan 8.250 nan 0.000 0.494 336 C N -1.475 117.771 119.300 -0.091 0.000 2.791 336 C HA 0.309 4.769 4.460 0.000 0.000 0.270 336 C C 0.609 175.396 174.990 -0.338 0.000 1.257 336 C CA -0.956 57.986 59.018 -0.127 0.000 1.699 336 C CB -0.798 26.946 27.740 0.007 0.000 1.904 336 C HN -0.165 nan 8.230 nan 0.000 0.603 337 V N 3.840 123.436 119.914 -0.531 0.000 2.488 337 V HA 0.200 4.320 4.120 0.000 0.000 0.277 337 V C 0.131 175.727 176.094 -0.829 0.000 1.046 337 V CA 0.324 62.071 62.300 -0.922 0.000 0.986 337 V CB 0.625 31.548 31.823 -1.501 0.000 0.989 337 V HN 0.517 nan 8.190 nan 0.000 0.475 338 N N 4.200 122.477 118.700 -0.705 0.000 2.448 338 N HA 0.120 4.860 4.740 0.000 0.000 0.250 338 N C 0.342 175.629 175.510 -0.371 0.000 1.136 338 N CA -0.224 52.576 53.050 -0.418 0.000 0.953 338 N CB 0.259 38.545 38.487 -0.334 0.000 1.251 338 N HN 0.655 nan 8.380 nan 0.000 0.502 339 W N 1.516 122.732 121.300 -0.140 0.000 2.800 339 W HA 0.049 4.709 4.660 0.000 0.000 0.249 339 W C 1.357 177.828 176.519 -0.080 0.000 1.294 339 W CA -0.269 57.016 57.345 -0.100 0.000 1.402 339 W CB 0.329 29.732 29.460 -0.095 0.000 1.126 339 W HN 0.428 nan 8.180 nan 0.000 0.652 340 D N 0.231 120.685 120.400 0.090 0.000 2.097 340 D HA -0.087 4.554 4.640 0.000 0.000 0.197 340 D C 0.840 177.148 176.300 0.013 0.000 0.984 340 D CA 0.871 54.894 54.000 0.040 0.000 0.826 340 D CB -0.620 40.182 40.800 0.005 0.000 0.973 340 D HN -0.041 nan 8.370 nan 0.000 0.460 341 L N 2.165 123.371 121.223 -0.030 0.000 2.433 341 L HA 0.141 4.481 4.340 0.000 0.000 0.275 341 L C -1.810 175.052 176.870 -0.014 0.000 1.128 341 L CA -1.081 53.738 54.840 -0.036 0.000 0.875 341 L CB 0.890 42.903 42.059 -0.076 0.000 1.171 341 L HN -0.207 nan 8.230 nan 0.000 0.463 342 P HA -0.169 nan 4.420 nan 0.000 0.219 342 P C 0.974 178.297 177.300 0.039 0.000 1.146 342 P CA 1.055 64.178 63.100 0.039 0.000 0.808 342 P CB 0.167 31.890 31.700 0.039 0.000 0.779 343 Q N 0.029 119.845 119.800 0.026 0.000 2.084 343 Q HA -0.178 4.162 4.340 0.000 0.000 0.202 343 Q C 2.017 178.057 176.000 0.066 0.000 0.978 343 Q CA 1.455 57.287 55.803 0.049 0.000 0.844 343 Q CB -0.614 28.152 28.738 0.046 0.000 0.898 343 Q HN 0.501 nan 8.270 nan 0.000 0.426 344 E N 0.444 120.641 120.200 -0.005 0.000 2.152 344 E HA -0.080 4.270 4.350 0.000 0.000 0.192 344 E C 1.920 178.468 176.600 -0.086 0.000 0.983 344 E CA 0.684 57.051 56.400 -0.056 0.000 0.818 344 E CB 0.002 29.480 29.700 -0.369 0.000 0.758 344 E HN 0.291 nan 8.360 nan 0.000 0.467 345 A N 2.117 124.903 122.820 -0.057 0.000 1.855 345 A HA -0.194 4.126 4.320 0.000 0.000 0.215 345 A C 2.020 179.678 177.584 0.123 0.000 1.191 345 A CA 1.153 53.220 52.037 0.049 0.000 0.613 345 A CB -0.228 18.887 19.000 0.191 0.000 0.829 345 A HN -0.019 nan 8.150 nan 0.000 0.442 346 K N -0.627 119.841 120.400 0.113 0.000 2.015 346 K HA -0.274 4.046 4.320 0.000 0.000 0.216 346 K C 2.283 178.961 176.600 0.130 0.000 1.052 346 K CA 2.174 58.531 56.287 0.116 0.000 0.937 346 K CB -0.438 32.119 32.500 0.095 0.000 0.719 346 K HN 0.696 nan 8.250 nan 0.000 0.446 347 Q N 0.035 119.922 119.800 0.146 0.000 2.224 347 Q HA -0.068 4.272 4.340 0.000 0.000 0.203 347 Q C 1.847 177.969 176.000 0.203 0.000 0.970 347 Q CA 1.211 57.115 55.803 0.168 0.000 0.865 347 Q CB 0.003 28.867 28.738 0.210 0.000 0.922 347 Q HN 0.350 nan 8.270 nan 0.000 0.445 348 A N 0.407 123.359 122.820 0.219 0.000 1.898 348 A HA -0.131 4.189 4.320 0.000 0.000 0.216 348 A C 1.936 179.685 177.584 0.274 0.000 1.181 348 A CA 1.121 53.324 52.037 0.277 0.000 0.620 348 A CB -0.598 18.313 19.000 -0.150 0.000 0.819 348 A HN 0.447 nan 8.150 nan 0.000 0.442 349 L N -0.982 120.374 121.223 0.221 0.000 2.217 349 L HA -0.130 4.210 4.340 0.000 0.000 0.211 349 L C 2.550 179.488 176.870 0.114 0.000 1.107 349 L CA 1.474 56.419 54.840 0.176 0.000 0.783 349 L CB -0.481 41.682 42.059 0.172 0.000 0.919 349 L HN 0.569 nan 8.230 nan 0.000 0.442 350 E N 0.860 121.126 120.200 0.111 0.000 2.077 350 E HA -0.209 4.141 4.350 0.000 0.000 0.193 350 E C 2.332 178.966 176.600 0.057 0.000 0.989 350 E CA 1.033 57.482 56.400 0.081 0.000 0.800 350 E CB 0.029 29.779 29.700 0.083 0.000 0.746 350 E HN 0.430 nan 8.360 nan 0.000 0.452 351 L N 0.493 121.741 121.223 0.042 0.000 2.217 351 L HA -0.127 4.213 4.340 0.000 0.000 0.211 351 L C 2.426 179.356 176.870 0.100 0.000 1.107 351 L CA 0.080 54.919 54.840 -0.001 0.000 0.783 351 L CB -0.205 41.759 42.059 -0.159 0.000 0.919 351 L HN 0.266 nan 8.230 nan 0.000 0.442 352 L N 0.161 121.416 121.223 0.054 0.000 2.042 352 L HA -0.118 4.222 4.340 0.000 0.000 0.210 352 L C 2.301 179.130 176.870 -0.068 0.000 1.076 352 L CA 2.181 56.956 54.840 -0.108 0.000 0.749 352 L CB -1.149 40.776 42.059 -0.223 0.000 0.893 352 L HN 0.155 nan 8.230 nan 0.000 0.432 353 G N -1.209 107.608 108.800 0.029 0.000 2.408 353 G HA2 -0.192 3.768 3.960 0.000 0.000 0.217 353 G HA3 -0.192 3.768 3.960 0.000 0.000 0.217 353 G C 1.557 176.522 174.900 0.108 0.000 1.150 353 G CA 0.342 45.499 45.100 0.096 0.000 0.776 353 G HN 0.262 nan 8.290 nan 0.000 0.542 354 K N -0.674 119.775 120.400 0.082 0.000 2.426 354 K HA 0.064 4.384 4.320 0.000 0.000 0.193 354 K C 0.350 176.978 176.600 0.047 0.000 1.028 354 K CA -0.553 55.764 56.287 0.049 0.000 1.047 354 K CB 0.121 32.626 32.500 0.009 0.000 0.821 354 K HN 0.329 nan 8.250 nan 0.000 0.513 355 W N 2.997 124.246 121.300 -0.085 0.000 2.190 355 W HA 0.058 4.718 4.660 0.000 0.000 0.330 355 W C 0.332 176.835 176.519 -0.026 0.000 1.299 355 W CA -0.458 56.829 57.345 -0.096 0.000 1.215 355 W CB 0.389 29.769 29.460 -0.134 0.000 1.147 355 W HN -0.133 nan 8.180 nan 0.000 0.563 356 K N 7.320 127.806 120.400 0.144 0.000 2.453 356 K HA 0.010 4.330 4.320 0.000 0.000 0.280 356 K C -1.942 174.825 176.600 0.278 0.000 1.045 356 K CA -0.815 55.562 56.287 0.151 0.000 1.059 356 K CB 0.303 32.830 32.500 0.045 0.000 0.901 356 K HN 0.031 nan 8.250 nan 0.000 0.475 357 P HA -0.117 nan 4.420 nan 0.000 0.262 357 P C -0.348 177.047 177.300 0.158 0.000 1.182 357 P CA 0.307 63.529 63.100 0.203 0.000 0.761 357 P CB 0.423 32.183 31.700 0.100 0.000 0.795 358 M N 0.964 120.665 119.600 0.168 0.000 2.228 358 M HA 0.312 4.792 4.480 0.000 0.000 0.326 358 M C -0.330 175.992 176.300 0.037 0.000 1.122 358 M CA -0.048 55.311 55.300 0.099 0.000 1.161 358 M CB 0.007 32.661 32.600 0.090 0.000 1.437 358 M HN 0.048 nan 8.290 nan 0.000 0.465 359 D N 1.099 121.516 120.400 0.028 0.000 2.354 359 D HA 0.071 4.711 4.640 0.000 0.000 0.238 359 D C 1.156 177.452 176.300 -0.006 0.000 1.250 359 D CA -0.349 53.659 54.000 0.014 0.000 0.911 359 D CB 0.647 41.457 40.800 0.017 0.000 1.163 359 D HN 0.455 nan 8.370 nan 0.000 0.456 360 V N 0.554 120.470 119.914 0.004 0.000 2.307 360 V HA -0.236 3.884 4.120 0.000 0.000 0.245 360 V C 2.207 178.272 176.094 -0.049 0.000 1.045 360 V CA 2.200 64.498 62.300 -0.003 0.000 1.024 360 V CB -0.914 30.949 31.823 0.067 0.000 0.651 360 V HN 0.684 nan 8.190 nan 0.000 0.449 361 E N 0.130 120.305 120.200 -0.041 0.000 2.160 361 E HA -0.280 4.070 4.350 0.000 0.000 0.195 361 E C 1.522 178.074 176.600 -0.082 0.000 0.991 361 E CA 1.856 58.202 56.400 -0.091 0.000 0.810 361 E CB -0.384 29.302 29.700 -0.023 0.000 0.742 361 E HN 0.570 nan 8.360 nan 0.000 0.466 362 D N 0.940 121.313 120.400 -0.046 0.000 2.234 362 D HA -0.077 4.563 4.640 0.000 0.000 0.205 362 D C 2.185 178.459 176.300 -0.043 0.000 0.962 362 D CA 1.386 55.365 54.000 -0.035 0.000 0.855 362 D CB 0.034 40.825 40.800 -0.015 0.000 0.951 362 D HN 0.342 nan 8.370 nan 0.000 0.500 363 S N 0.543 116.211 115.700 -0.054 0.000 2.447 363 S HA -0.072 4.398 4.470 0.000 0.000 0.233 363 S C 2.189 176.749 174.600 -0.066 0.000 1.006 363 S CA 0.359 58.520 58.200 -0.064 0.000 0.957 363 S CB -0.555 62.590 63.200 -0.092 0.000 0.773 363 S HN 0.217 nan 8.310 nan 0.000 0.507 364 L N 1.193 122.370 121.223 -0.076 0.000 2.141 364 L HA -0.043 4.297 4.340 0.000 0.000 0.209 364 L C 2.962 179.823 176.870 -0.015 0.000 1.094 364 L CA 1.684 56.487 54.840 -0.062 0.000 0.763 364 L CB -0.566 41.414 42.059 -0.130 0.000 0.908 364 L HN 0.462 nan 8.230 nan 0.000 0.437 365 E N 0.882 121.076 120.200 -0.011 0.000 2.077 365 E HA -0.221 4.130 4.350 0.000 0.000 0.193 365 E C 2.153 178.805 176.600 0.086 0.000 0.989 365 E CA 1.082 57.507 56.400 0.042 0.000 0.800 365 E CB -0.029 29.698 29.700 0.045 0.000 0.746 365 E HN 0.497 nan 8.360 nan 0.000 0.452 366 L N 0.830 122.026 121.223 -0.046 0.000 2.622 366 L HA -0.058 4.282 4.340 0.000 0.000 0.233 366 L C 1.797 178.648 176.870 -0.031 0.000 1.156 366 L CA 0.196 54.908 54.840 -0.212 0.000 0.866 366 L CB -0.090 41.754 42.059 -0.359 0.000 0.980 366 L HN 0.241 nan 8.230 nan 0.000 0.448 367 L N -0.999 120.248 121.223 0.040 0.000 2.607 367 L HA 0.102 4.442 4.340 0.000 0.000 0.228 367 L C 1.506 178.468 176.870 0.153 0.000 1.123 367 L CA -0.241 54.656 54.840 0.095 0.000 0.890 367 L CB 0.019 42.132 42.059 0.090 0.000 1.103 367 L HN 0.254 nan 8.230 nan 0.000 0.468 368 S N -0.919 114.838 115.700 0.096 0.000 2.634 368 S HA 0.031 4.501 4.470 0.000 0.000 0.261 368 S C 1.505 175.901 174.600 -0.340 0.000 1.271 368 S CA 0.004 58.155 58.200 -0.081 0.000 0.985 368 S CB 1.287 64.468 63.200 -0.031 0.000 0.968 368 S HN 0.268 nan 8.310 nan 0.000 0.568 369 S N -0.423 114.766 115.700 -0.852 0.000 2.447 369 S HA -0.201 4.270 4.470 0.000 0.000 0.233 369 S C 1.659 176.050 174.600 -0.349 0.000 1.006 369 S CA 1.381 59.077 58.200 -0.841 0.000 0.957 369 S CB -1.054 61.621 63.200 -0.875 0.000 0.773 369 S HN 0.958 nan 8.310 nan 0.000 0.507 370 H N 0.339 119.200 119.070 -0.349 0.000 2.489 370 H HA 0.111 4.667 4.556 0.000 0.000 0.293 370 H C -0.514 174.501 175.328 -0.522 0.000 1.066 370 H CA 1.085 56.891 56.048 -0.403 0.000 1.305 370 H CB -0.085 29.410 29.762 -0.445 0.000 1.386 370 H HN 0.503 nan 8.280 nan 0.000 0.551 371 Y N 0.139 120.311 120.300 -0.213 0.000 2.342 371 Y HA 0.214 4.764 4.550 0.000 0.000 0.338 371 Y C 1.182 176.923 175.900 -0.265 0.000 0.965 371 Y CA -0.010 57.921 58.100 -0.281 0.000 1.159 371 Y CB 1.738 40.095 38.460 -0.172 0.000 1.157 371 Y HN 0.192 nan 8.280 nan 0.000 0.486 372 T N -2.025 112.404 114.554 -0.207 0.000 2.971 372 T HA 0.057 4.407 4.350 0.000 0.000 0.252 372 T C 0.544 175.127 174.700 -0.195 0.000 1.022 372 T CA -0.337 61.656 62.100 -0.180 0.000 0.980 372 T CB -0.001 68.747 68.868 -0.200 0.000 1.044 372 T HN 0.478 nan 8.240 nan 0.000 0.501 373 N N 3.404 121.920 118.700 -0.307 0.000 2.411 373 N HA 0.044 4.784 4.740 0.000 0.000 0.261 373 N C -1.777 173.630 175.510 -0.173 0.000 1.248 373 N CA -0.920 51.947 53.050 -0.304 0.000 0.885 373 N CB 1.625 39.756 38.487 -0.593 0.000 1.062 373 N HN 0.082 nan 8.380 nan 0.000 0.471 374 P HA -0.003 nan 4.420 nan 0.000 0.218 374 P C 1.090 178.371 177.300 -0.031 0.000 1.152 374 P CA 1.069 64.138 63.100 -0.052 0.000 0.826 374 P CB 0.114 31.797 31.700 -0.029 0.000 0.790 375 T N -0.268 114.273 114.554 -0.021 0.000 2.759 375 T HA -0.093 4.257 4.350 0.000 0.000 0.269 375 T C 1.855 176.563 174.700 0.015 0.000 1.042 375 T CA 1.269 63.379 62.100 0.016 0.000 1.140 375 T CB -0.994 67.899 68.868 0.043 0.000 0.864 375 T HN -0.103 nan 8.240 nan 0.000 0.455 376 V N 1.345 121.224 119.914 -0.058 0.000 2.323 376 V HA -0.122 3.999 4.120 0.000 0.000 0.244 376 V C 2.633 178.688 176.094 -0.065 0.000 1.041 376 V CA 1.481 63.719 62.300 -0.104 0.000 1.025 376 V CB -0.518 31.152 31.823 -0.256 0.000 0.656 376 V HN 0.380 nan 8.190 nan 0.000 0.451 377 R N -0.186 120.273 120.500 -0.068 0.000 2.081 377 R HA -0.126 4.214 4.340 0.000 0.000 0.235 377 R C 2.531 178.820 176.300 -0.018 0.000 1.131 377 R CA 1.440 57.517 56.100 -0.039 0.000 0.960 377 R CB -0.330 29.958 30.300 -0.020 0.000 0.856 377 R HN 0.410 nan 8.270 nan 0.000 0.436 378 R N -0.507 119.993 120.500 -0.001 0.000 2.092 378 R HA -0.152 4.188 4.340 0.000 0.000 0.231 378 R C 2.072 178.370 176.300 -0.003 0.000 1.119 378 R CA 1.331 57.428 56.100 -0.005 0.000 0.970 378 R CB -0.323 29.985 30.300 0.013 0.000 0.864 378 R HN 0.256 nan 8.270 nan 0.000 0.440 379 Y N 0.829 121.081 120.300 -0.080 0.000 2.165 379 Y HA -0.256 4.294 4.550 0.000 0.000 0.286 379 Y C 2.129 177.961 175.900 -0.113 0.000 1.155 379 Y CA 1.449 59.499 58.100 -0.083 0.000 1.164 379 Y CB -0.336 38.081 38.460 -0.071 0.000 0.978 379 Y HN 0.082 nan 8.280 nan 0.000 0.513 380 A N -0.487 122.318 122.820 -0.025 0.000 1.883 380 A HA -0.210 4.110 4.320 0.000 0.000 0.217 380 A C 2.354 179.805 177.584 -0.221 0.000 1.186 380 A CA 2.265 54.232 52.037 -0.117 0.000 0.624 380 A CB -1.414 17.543 19.000 -0.072 0.000 0.822 380 A HN 0.348 nan 8.150 nan 0.000 0.444 381 V N -0.203 119.580 119.914 -0.219 0.000 2.343 381 V HA -0.251 3.869 4.120 0.000 0.000 0.247 381 V C 3.055 178.859 176.094 -0.483 0.000 1.051 381 V CA 1.899 63.981 62.300 -0.363 0.000 1.036 381 V CB -1.189 30.472 31.823 -0.272 0.000 0.654 381 V HN 0.644 nan 8.190 nan 0.000 0.451 382 A N -0.120 122.485 122.820 -0.358 0.000 1.908 382 A HA -0.222 4.098 4.320 0.000 0.000 0.218 382 A C 2.351 179.718 177.584 -0.360 0.000 1.181 382 A CA 1.646 53.479 52.037 -0.340 0.000 0.627 382 A CB -0.408 18.409 19.000 -0.304 0.000 0.818 382 A HN 0.445 nan 8.150 nan 0.000 0.445 383 R N -1.284 118.964 120.500 -0.420 0.000 2.093 383 R HA 0.019 4.359 4.340 0.000 0.000 0.224 383 R C 2.010 178.183 176.300 -0.212 0.000 1.101 383 R CA 1.044 56.948 56.100 -0.327 0.000 0.979 383 R CB -1.010 29.075 30.300 -0.358 0.000 0.877 383 R HN 0.520 nan 8.270 nan 0.000 0.441 384 L N 1.482 122.558 121.223 -0.245 0.000 2.093 384 L HA -0.067 4.273 4.340 0.000 0.000 0.208 384 L C 2.399 179.194 176.870 -0.125 0.000 1.085 384 L CA 1.576 56.322 54.840 -0.156 0.000 0.755 384 L CB -0.457 41.490 42.059 -0.187 0.000 0.904 384 L HN -0.038 nan 8.230 nan 0.000 0.435 385 R N -1.007 119.289 120.500 -0.339 0.000 2.211 385 R HA -0.181 4.159 4.340 0.000 0.000 0.240 385 R C 2.009 178.330 176.300 0.034 0.000 1.144 385 R CA 1.273 57.290 56.100 -0.140 0.000 0.992 385 R CB -0.024 30.136 30.300 -0.234 0.000 0.869 385 R HN 0.503 nan 8.270 nan 0.000 0.462 386 Q N -0.119 119.671 119.800 -0.017 0.000 2.297 386 Q HA 0.070 4.410 4.340 0.000 0.000 0.204 386 Q C 0.522 176.552 176.000 0.049 0.000 0.962 386 Q CA 0.884 56.694 55.803 0.011 0.000 0.879 386 Q CB -0.123 28.606 28.738 -0.016 0.000 0.947 386 Q HN 0.329 nan 8.270 nan 0.000 0.462 387 A N 3.100 125.968 122.820 0.081 0.000 2.498 387 A HA 0.135 4.455 4.320 0.000 0.000 0.239 387 A C -0.005 177.628 177.584 0.081 0.000 1.068 387 A CA -0.354 51.742 52.037 0.099 0.000 0.766 387 A CB 0.006 19.100 19.000 0.157 0.000 1.003 387 A HN 0.275 nan 8.150 nan 0.000 0.497 388 D N 1.066 121.492 120.400 0.044 0.000 2.398 388 D HA 0.147 4.787 4.640 0.000 0.000 0.247 388 D C 0.126 176.426 176.300 -0.000 0.000 1.227 388 D CA -0.378 53.636 54.000 0.023 0.000 0.980 388 D CB 0.362 41.167 40.800 0.007 0.000 1.106 388 D HN 0.374 nan 8.370 nan 0.000 0.493 389 D N -0.780 119.612 120.400 -0.013 0.000 2.219 389 D HA -0.137 4.503 4.640 0.000 0.000 0.205 389 D C 1.475 177.735 176.300 -0.066 0.000 0.970 389 D CA 0.781 54.759 54.000 -0.036 0.000 0.851 389 D CB -0.007 40.774 40.800 -0.031 0.000 0.943 389 D HN 0.598 nan 8.370 nan 0.000 0.488 390 E N 0.320 120.479 120.200 -0.067 0.000 2.072 390 E HA -0.156 4.194 4.350 0.000 0.000 0.191 390 E C 1.161 177.658 176.600 -0.172 0.000 0.985 390 E CA 0.877 57.220 56.400 -0.095 0.000 0.801 390 E CB 0.239 29.896 29.700 -0.071 0.000 0.750 390 E HN 0.167 nan 8.360 nan 0.000 0.452 391 D N 0.526 120.815 120.400 -0.185 0.000 2.117 391 D HA -0.148 4.492 4.640 0.000 0.000 0.198 391 D C 1.936 177.870 176.300 -0.609 0.000 0.982 391 D CA 0.440 54.225 54.000 -0.357 0.000 0.828 391 D CB -0.272 40.433 40.800 -0.159 0.000 0.967 391 D HN 0.122 nan 8.370 nan 0.000 0.464 392 L N 0.642 121.702 121.223 -0.271 0.000 2.079 392 L HA -0.112 4.228 4.340 0.000 0.000 0.210 392 L C 2.041 178.798 176.870 -0.190 0.000 1.081 392 L CA 1.180 55.930 54.840 -0.149 0.000 0.752 392 L CB -0.642 41.411 42.059 -0.011 0.000 0.896 392 L HN 0.026 nan 8.230 nan 0.000 0.433 393 L N -0.988 120.117 121.223 -0.196 0.000 2.131 393 L HA -0.181 4.160 4.340 0.000 0.000 0.210 393 L C 2.290 179.025 176.870 -0.224 0.000 1.092 393 L CA 1.738 56.477 54.840 -0.167 0.000 0.759 393 L CB -0.434 41.537 42.059 -0.147 0.000 0.903 393 L HN 0.310 nan 8.230 nan 0.000 0.435 394 M N -1.824 117.552 119.600 -0.374 0.000 2.279 394 M HA -0.173 4.307 4.480 0.000 0.000 0.264 394 M C 0.871 177.072 176.300 -0.165 0.000 1.062 394 M CA 1.403 56.494 55.300 -0.348 0.000 1.099 394 M CB -0.228 32.084 32.600 -0.481 0.000 1.394 394 M HN 0.253 nan 8.290 nan 0.000 0.426 395 Y N -1.544 118.737 120.300 -0.032 0.000 2.507 395 Y HA 0.166 4.716 4.550 0.000 0.000 0.254 395 Y C 1.522 177.419 175.900 -0.005 0.000 1.171 395 Y CA -0.676 57.408 58.100 -0.026 0.000 1.238 395 Y CB -0.738 37.724 38.460 0.002 0.000 1.148 395 Y HN 0.063 nan 8.280 nan 0.000 0.525 396 L N 0.217 121.506 121.223 0.110 0.000 2.093 396 L HA -0.117 4.223 4.340 0.000 0.000 0.208 396 L C 2.045 178.994 176.870 0.132 0.000 1.085 396 L CA 1.440 56.373 54.840 0.155 0.000 0.755 396 L CB -0.759 41.415 42.059 0.191 0.000 0.904 396 L HN 0.279 nan 8.230 nan 0.000 0.435 397 L N -0.663 120.540 121.223 -0.035 0.000 2.046 397 L HA -0.228 4.112 4.340 0.000 0.000 0.208 397 L C 2.419 179.171 176.870 -0.197 0.000 1.077 397 L CA 1.749 56.341 54.840 -0.413 0.000 0.747 397 L CB -0.648 41.056 42.059 -0.592 0.000 0.896 397 L HN 0.346 nan 8.230 nan 0.000 0.432 398 Q N -0.848 118.897 119.800 -0.093 0.000 2.119 398 Q HA -0.068 4.272 4.340 0.000 0.000 0.201 398 Q C 2.180 178.197 176.000 0.029 0.000 0.972 398 Q CA 1.492 57.271 55.803 -0.040 0.000 0.847 398 Q CB -0.320 28.397 28.738 -0.034 0.000 0.903 398 Q HN 0.494 nan 8.270 nan 0.000 0.433 399 L N -0.691 120.574 121.223 0.069 0.000 2.141 399 L HA -0.133 4.207 4.340 0.000 0.000 0.209 399 L C 1.987 178.914 176.870 0.095 0.000 1.094 399 L CA 0.515 55.417 54.840 0.104 0.000 0.763 399 L CB -0.348 41.798 42.059 0.145 0.000 0.908 399 L HN 0.102 nan 8.230 nan 0.000 0.437 400 V N -0.678 119.288 119.914 0.087 0.000 2.427 400 V HA -0.233 3.887 4.120 0.000 0.000 0.248 400 V C 2.506 178.683 176.094 0.140 0.000 1.051 400 V CA 1.385 63.758 62.300 0.123 0.000 1.048 400 V CB -0.430 31.463 31.823 0.116 0.000 0.666 400 V HN 0.478 nan 8.190 nan 0.000 0.456 401 Q N -0.078 119.753 119.800 0.052 0.000 2.172 401 Q HA -0.032 4.309 4.340 0.000 0.000 0.200 401 Q C 2.403 178.354 176.000 -0.082 0.000 0.964 401 Q CA 1.599 57.419 55.803 0.028 0.000 0.855 401 Q CB -0.535 28.198 28.738 -0.007 0.000 0.918 401 Q HN 0.643 nan 8.270 nan 0.000 0.444 402 A N 0.876 123.691 122.820 -0.008 0.000 2.067 402 A HA -0.085 4.235 4.320 0.000 0.000 0.219 402 A C 2.166 179.718 177.584 -0.054 0.000 1.158 402 A CA 0.578 52.630 52.037 0.025 0.000 0.661 402 A CB -0.635 18.466 19.000 0.167 0.000 0.801 402 A HN 0.300 nan 8.150 nan 0.000 0.452 403 L N -0.589 120.606 121.223 -0.046 0.000 2.189 403 L HA -0.243 4.098 4.340 0.000 0.000 0.214 403 L C 2.296 179.082 176.870 -0.140 0.000 1.097 403 L CA 1.542 56.331 54.840 -0.086 0.000 0.764 403 L CB -0.396 41.579 42.059 -0.140 0.000 0.900 403 L HN 0.378 nan 8.230 nan 0.000 0.436 404 K N -0.795 119.434 120.400 -0.285 0.000 2.360 404 K HA -0.171 4.149 4.320 0.000 0.000 0.201 404 K C 1.084 177.655 176.600 -0.048 0.000 1.046 404 K CA 1.151 57.319 56.287 -0.197 0.000 0.940 404 K CB -0.049 32.188 32.500 -0.439 0.000 0.748 404 K HN 0.323 nan 8.250 nan 0.000 0.465 405 Y N 0.679 121.056 120.300 0.128 0.000 2.467 405 Y HA 0.211 4.761 4.550 0.000 0.000 0.250 405 Y C 0.732 176.638 175.900 0.011 0.000 1.155 405 Y CA -0.467 57.655 58.100 0.036 0.000 1.249 405 Y CB 0.128 38.609 38.460 0.034 0.000 1.146 405 Y HN -0.100 nan 8.280 nan 0.000 0.524 406 E N 0.512 120.821 120.200 0.182 0.000 2.602 406 E HA 0.055 4.405 4.350 0.000 0.000 0.255 406 E C -0.282 176.375 176.600 0.094 0.000 1.268 406 E CA -0.542 55.936 56.400 0.131 0.000 1.007 406 E CB 0.573 30.352 29.700 0.130 0.000 1.208 406 E HN 0.003 nan 8.360 nan 0.000 0.584 407 N N 1.301 120.052 118.700 0.084 0.000 2.406 407 N HA 0.005 4.745 4.740 0.000 0.000 0.251 407 N C 0.426 176.068 175.510 0.220 0.000 1.069 407 N CA -0.017 53.067 53.050 0.056 0.000 0.947 407 N CB 0.127 38.627 38.487 0.022 0.000 1.111 407 N HN 0.207 nan 8.380 nan 0.000 0.497 408 F N 1.779 121.702 119.950 -0.045 0.000 2.216 408 F HA -0.088 4.439 4.527 0.000 0.000 0.300 408 F C 1.759 177.536 175.800 -0.038 0.000 1.085 408 F CA 0.551 58.517 58.000 -0.057 0.000 1.326 408 F CB -0.455 38.510 39.000 -0.059 0.000 1.027 408 F HN 0.439 nan 8.300 nan 0.000 0.497 409 D N 0.165 120.662 120.400 0.161 0.000 2.144 409 D HA -0.142 4.498 4.640 0.000 0.000 0.199 409 D C 1.784 178.119 176.300 0.059 0.000 0.984 409 D CA 1.349 55.400 54.000 0.084 0.000 0.834 409 D CB -0.371 40.458 40.800 0.049 0.000 0.955 409 D HN 0.211 nan 8.370 nan 0.000 0.465 410 D N 0.030 120.466 120.400 0.059 0.000 2.183 410 D HA -0.009 4.631 4.640 0.000 0.000 0.203 410 D C 2.283 178.606 176.300 0.038 0.000 0.969 410 D CA 0.177 54.202 54.000 0.042 0.000 0.842 410 D CB -0.052 40.771 40.800 0.039 0.000 0.957 410 D HN 0.269 nan 8.370 nan 0.000 0.484 411 I N 0.821 121.416 120.570 0.043 0.000 2.226 411 I HA -0.242 3.928 4.170 0.000 0.000 0.245 411 I C 2.450 178.567 176.117 0.001 0.000 1.100 411 I CA 1.021 62.328 61.300 0.012 0.000 1.374 411 I CB -0.119 37.867 38.000 -0.024 0.000 1.057 411 I HN -0.054 nan 8.210 nan 0.000 0.413 412 K N 0.960 121.364 120.400 0.007 0.000 2.057 412 K HA -0.161 4.159 4.320 0.000 0.000 0.206 412 K C 1.904 178.511 176.600 0.011 0.000 1.050 412 K CA 1.386 57.675 56.287 0.002 0.000 0.935 412 K CB 0.024 32.530 32.500 0.011 0.000 0.715 412 K HN 0.198 nan 8.250 nan 0.000 0.439 413 N N 0.477 119.189 118.700 0.020 0.000 2.223 413 N HA -0.109 4.631 4.740 0.000 0.000 0.185 413 N C 1.636 177.156 175.510 0.017 0.000 1.016 413 N CA 1.328 54.389 53.050 0.019 0.000 0.863 413 N CB -0.606 37.894 38.487 0.022 0.000 0.983 413 N HN 0.370 nan 8.380 nan 0.000 0.429 414 G N 0.160 108.971 108.800 0.019 0.000 2.653 414 G HA2 -0.111 3.850 3.960 0.000 0.000 0.212 414 G HA3 -0.111 3.850 3.960 0.000 0.000 0.212 414 G C 1.434 176.345 174.900 0.019 0.000 1.138 414 G CA 0.122 45.234 45.100 0.020 0.000 0.782 414 G HN 0.264 nan 8.290 nan 0.000 0.535 415 L N -0.764 120.468 121.223 0.014 0.000 2.240 415 L HA 0.173 4.513 4.340 0.000 0.000 0.211 415 L C 1.335 178.212 176.870 0.011 0.000 1.106 415 L CA 0.293 55.141 54.840 0.013 0.000 0.793 415 L CB -0.020 42.044 42.059 0.008 0.000 0.927 415 L HN 0.113 nan 8.230 nan 0.000 0.446 472 E N 0.926 121.131 120.200 0.009 0.000 2.427 472 E HA -0.018 4.332 4.350 0.000 0.000 0.196 472 E C 0.338 176.952 176.600 0.023 0.000 1.028 472 E CA 0.409 56.820 56.400 0.018 0.000 0.864 472 E CB 0.373 30.087 29.700 0.022 0.000 0.813 472 E HN 0.528 nan 8.360 nan 0.000 0.514 473 Q N 1.795 121.605 119.800 0.015 0.000 2.337 473 Q HA 0.176 4.516 4.340 0.000 0.000 0.266 473 Q C -0.772 175.240 176.000 0.021 0.000 1.023 473 Q CA -0.880 54.944 55.803 0.035 0.000 0.829 473 Q CB 1.726 30.505 28.738 0.067 0.000 1.306 473 Q HN 0.149 nan 8.270 nan 0.000 0.449 474 D N 1.105 121.532 120.400 0.045 0.000 2.432 474 D HA 0.031 4.672 4.640 0.000 0.000 0.258 474 D C 0.698 177.050 176.300 0.087 0.000 1.146 474 D CA -0.655 53.372 54.000 0.045 0.000 1.015 474 D CB 0.850 41.677 40.800 0.044 0.000 1.107 474 D HN 0.382 nan 8.370 nan 0.000 0.529 475 L N 0.578 121.853 121.223 0.087 0.000 2.012 475 L HA -0.112 4.228 4.340 0.000 0.000 0.210 475 L C 2.387 179.349 176.870 0.153 0.000 1.073 475 L CA 1.687 56.614 54.840 0.145 0.000 0.748 475 L CB -0.822 41.305 42.059 0.113 0.000 0.891 475 L HN 0.780 nan 8.230 nan 0.000 0.431 476 C N -0.816 118.533 119.300 0.081 0.000 2.413 476 C HA -0.216 4.244 4.460 0.000 0.000 0.277 476 C C 2.755 177.766 174.990 0.036 0.000 1.228 476 C CA 1.812 60.852 59.018 0.036 0.000 1.731 476 C CB -1.137 26.610 27.740 0.011 0.000 2.042 476 C HN 0.686 nan 8.230 nan 0.000 0.468 477 T N 0.429 115.024 114.554 0.068 0.000 2.788 477 T HA -0.142 4.208 4.350 0.000 0.000 0.268 477 T C 1.410 176.167 174.700 0.095 0.000 1.044 477 T CA 1.802 63.943 62.100 0.068 0.000 1.139 477 T CB -0.530 68.382 68.868 0.074 0.000 0.867 477 T HN 0.651 nan 8.240 nan 0.000 0.454 478 F N 1.991 121.931 119.950 -0.016 0.000 2.075 478 F HA 0.022 4.549 4.527 0.000 0.000 0.297 478 F C 1.902 177.683 175.800 -0.032 0.000 1.113 478 F CA 1.008 58.998 58.000 -0.017 0.000 1.218 478 F CB -0.686 38.307 39.000 -0.011 0.000 0.984 478 F HN 0.027 nan 8.300 nan 0.000 0.472 479 L N 0.015 121.086 121.223 -0.254 0.000 2.042 479 L HA -0.251 4.089 4.340 0.000 0.000 0.210 479 L C 2.561 179.209 176.870 -0.370 0.000 1.076 479 L CA 1.508 56.115 54.840 -0.389 0.000 0.749 479 L CB -0.741 41.214 42.059 -0.173 0.000 0.893 479 L HN 0.224 nan 8.230 nan 0.000 0.432 480 I N -0.942 119.466 120.570 -0.270 0.000 2.252 480 I HA -0.285 3.885 4.170 0.000 0.000 0.245 480 I C 2.867 178.902 176.117 -0.135 0.000 1.102 480 I CA 1.325 62.476 61.300 -0.248 0.000 1.385 480 I CB -0.251 37.687 38.000 -0.103 0.000 1.064 480 I HN 0.256 nan 8.210 nan 0.000 0.414 481 S N 0.913 116.543 115.700 -0.116 0.000 2.370 481 S HA -0.205 4.265 4.470 0.000 0.000 0.226 481 S C 2.301 176.825 174.600 -0.128 0.000 1.033 481 S CA 1.292 59.445 58.200 -0.077 0.000 1.011 481 S CB -0.136 63.048 63.200 -0.028 0.000 0.852 481 S HN 0.273 nan 8.310 nan 0.000 0.457 482 R N 0.904 121.241 120.500 -0.272 0.000 2.073 482 R HA 0.136 4.476 4.340 0.000 0.000 0.229 482 R C 2.677 178.881 176.300 -0.161 0.000 1.120 482 R CA 1.245 57.189 56.100 -0.261 0.000 0.967 482 R CB -1.396 28.627 30.300 -0.462 0.000 0.862 482 R HN 0.562 nan 8.270 nan 0.000 0.436 483 A N 0.455 123.169 122.820 -0.176 0.000 1.972 483 A HA -0.171 4.149 4.320 0.000 0.000 0.219 483 A C 2.497 180.102 177.584 0.035 0.000 1.169 483 A CA 1.483 53.470 52.037 -0.083 0.000 0.635 483 A CB -0.828 18.048 19.000 -0.206 0.000 0.810 483 A HN 0.395 nan 8.150 nan 0.000 0.446 484 C N -0.796 118.528 119.300 0.040 0.000 2.419 484 C HA -0.007 4.453 4.460 0.000 0.000 0.283 484 C C 2.381 177.382 174.990 0.019 0.000 1.373 484 C CA 1.235 60.290 59.018 0.061 0.000 1.781 484 C CB -0.960 26.812 27.740 0.054 0.000 1.886 484 C HN 0.565 nan 8.230 nan 0.000 0.520 485 K N -0.184 120.213 120.400 -0.006 0.000 2.358 485 K HA 0.092 4.412 4.320 0.000 0.000 0.197 485 K C 0.167 176.759 176.600 -0.013 0.000 1.025 485 K CA 0.157 56.437 56.287 -0.011 0.000 1.104 485 K CB 0.166 32.655 32.500 -0.017 0.000 0.855 485 K HN 0.282 nan 8.250 nan 0.000 0.531 486 N N 0.228 118.920 118.700 -0.013 0.000 2.533 486 N HA 0.012 4.752 4.740 0.000 0.000 0.289 486 N C 0.265 175.775 175.510 -0.001 0.000 1.103 486 N CA -0.046 52.997 53.050 -0.012 0.000 0.877 486 N CB 1.720 40.194 38.487 -0.022 0.000 1.419 486 N HN -0.055 nan 8.380 nan 0.000 0.517 487 S N 1.532 117.228 115.700 -0.008 0.000 2.402 487 S HA -0.106 4.364 4.470 0.000 0.000 0.229 487 S C 1.454 176.044 174.600 -0.016 0.000 1.021 487 S CA 1.420 59.611 58.200 -0.014 0.000 0.974 487 S CB -0.269 62.910 63.200 -0.036 0.000 0.800 487 S HN 0.517 nan 8.310 nan 0.000 0.484 488 T N 2.962 117.514 114.554 -0.004 0.000 2.737 488 T HA 0.133 4.483 4.350 0.000 0.000 0.265 488 T C 1.714 176.470 174.700 0.094 0.000 1.038 488 T CA 1.320 63.436 62.100 0.027 0.000 1.144 488 T CB -0.499 68.405 68.868 0.060 0.000 0.866 488 T HN 0.287 nan 8.240 nan 0.000 0.434 489 L N 0.655 121.917 121.223 0.066 0.000 2.083 489 L HA -0.087 4.253 4.340 0.000 0.000 0.209 489 L C 3.007 179.906 176.870 0.048 0.000 1.083 489 L CA 1.145 56.019 54.840 0.056 0.000 0.752 489 L CB -0.611 41.433 42.059 -0.024 0.000 0.899 489 L HN 0.261 nan 8.230 nan 0.000 0.433 490 A N 0.002 122.859 122.820 0.063 0.000 1.933 490 A HA -0.258 4.062 4.320 0.000 0.000 0.218 490 A C 1.994 179.687 177.584 0.183 0.000 1.175 490 A CA 2.171 54.318 52.037 0.182 0.000 0.628 490 A CB -0.714 18.414 19.000 0.213 0.000 0.814 490 A HN 0.450 nan 8.150 nan 0.000 0.444 491 N N -1.649 117.077 118.700 0.044 0.000 2.058 491 N HA -0.172 4.568 4.740 0.000 0.000 0.191 491 N C 1.526 177.046 175.510 0.017 0.000 1.037 491 N CA 1.928 54.970 53.050 -0.013 0.000 0.848 491 N CB -0.343 38.028 38.487 -0.193 0.000 1.021 491 N HN 0.532 nan 8.380 nan 0.000 0.422 492 Y N 0.046 120.328 120.300 -0.029 0.000 2.293 492 Y HA -0.027 4.523 4.550 0.000 0.000 0.291 492 Y C 1.906 177.575 175.900 -0.386 0.000 1.137 492 Y CA 0.451 58.349 58.100 -0.338 0.000 1.202 492 Y CB -0.502 37.674 38.460 -0.473 0.000 0.990 492 Y HN 0.130 nan 8.280 nan 0.000 0.537 493 L N -0.854 120.371 121.223 0.003 0.000 2.046 493 L HA -0.237 4.103 4.340 0.000 0.000 0.208 493 L C 2.263 179.187 176.870 0.091 0.000 1.077 493 L CA 1.727 56.562 54.840 -0.009 0.000 0.747 493 L CB -1.042 40.891 42.059 -0.211 0.000 0.896 493 L HN 0.331 nan 8.230 nan 0.000 0.432 494 Y N -1.209 119.152 120.300 0.101 0.000 2.097 494 Y HA -0.313 4.237 4.550 0.000 0.000 0.282 494 Y C 2.068 177.895 175.900 -0.122 0.000 1.152 494 Y CA 2.241 60.352 58.100 0.017 0.000 1.136 494 Y CB -0.603 37.721 38.460 -0.228 0.000 0.975 494 Y HN 0.234 nan 8.280 nan 0.000 0.498 495 W N -1.494 119.810 121.300 0.008 0.000 2.436 495 W HA -0.178 4.482 4.660 0.000 0.000 0.284 495 W C 2.013 178.557 176.519 0.040 0.000 1.225 495 W CA 0.824 58.149 57.345 -0.033 0.000 1.271 495 W CB -0.531 28.962 29.460 0.054 0.000 1.114 495 W HN 0.120 nan 8.180 nan 0.000 0.559 496 Y N -0.493 119.925 120.300 0.197 0.000 2.242 496 Y HA -0.151 4.399 4.550 0.000 0.000 0.291 496 Y C 2.261 178.120 175.900 -0.069 0.000 1.137 496 Y CA 0.385 58.531 58.100 0.076 0.000 1.181 496 Y CB -1.399 37.106 38.460 0.076 0.000 0.989 496 Y HN -0.203 nan 8.280 nan 0.000 0.527 497 V N 0.412 120.350 119.914 0.041 0.000 2.407 497 V HA -0.205 3.915 4.120 0.000 0.000 0.245 497 V C 2.312 178.294 176.094 -0.186 0.000 1.041 497 V CA 1.428 63.675 62.300 -0.088 0.000 1.040 497 V CB -0.851 30.966 31.823 -0.011 0.000 0.671 497 V HN 0.431 nan 8.190 nan 0.000 0.455 498 I N -0.732 119.667 120.570 -0.285 0.000 2.361 498 I HA -0.109 4.061 4.170 0.000 0.000 0.251 498 I C 2.130 178.178 176.117 -0.115 0.000 1.133 498 I CA 1.613 62.741 61.300 -0.288 0.000 1.413 498 I CB -1.055 36.608 38.000 -0.562 0.000 1.073 498 I HN 0.036 nan 8.210 nan 0.000 0.424 499 V N 1.208 121.096 119.914 -0.043 0.000 2.427 499 V HA -0.152 3.968 4.120 0.000 0.000 0.248 499 V C 2.678 178.710 176.094 -0.103 0.000 1.051 499 V CA 1.866 64.158 62.300 -0.014 0.000 1.048 499 V CB -0.896 30.959 31.823 0.054 0.000 0.666 499 V HN 0.452 nan 8.190 nan 0.000 0.456 500 E N -0.695 119.363 120.200 -0.237 0.000 2.204 500 E HA -0.168 4.182 4.350 0.000 0.000 0.194 500 E C 2.224 178.676 176.600 -0.248 0.000 0.989 500 E CA 1.319 57.460 56.400 -0.432 0.000 0.824 500 E CB -0.515 28.489 29.700 -1.161 0.000 0.756 500 E HN 0.622 nan 8.360 nan 0.000 0.477 501 C N 0.904 120.116 119.300 -0.147 0.000 2.457 501 C HA -0.015 4.446 4.460 0.000 0.000 0.278 501 C C 2.465 177.526 174.990 0.118 0.000 1.309 501 C CA 0.203 59.212 59.018 -0.016 0.000 1.735 501 C CB -0.398 27.307 27.740 -0.059 0.000 1.992 501 C HN 0.426 nan 8.230 nan 0.000 0.493 502 E N 0.942 121.171 120.200 0.048 0.000 2.371 502 E HA -0.090 4.260 4.350 0.000 0.000 0.194 502 E C 0.045 176.668 176.600 0.038 0.000 1.012 502 E CA 0.368 56.805 56.400 0.062 0.000 0.860 502 E CB -0.351 29.373 29.700 0.041 0.000 0.811 502 E HN 0.469 nan 8.360 nan 0.000 0.502 503 D N 1.286 121.699 120.400 0.021 0.000 2.402 503 D HA -0.079 4.561 4.640 0.000 0.000 0.268 503 D C 0.490 176.785 176.300 -0.007 0.000 1.294 503 D CA 0.459 54.458 54.000 -0.001 0.000 0.945 503 D CB 0.681 41.470 40.800 -0.017 0.000 1.112 503 D HN 0.057 nan 8.370 nan 0.000 0.517 504 Q N 2.167 121.950 119.800 -0.028 0.000 2.451 504 Q HA -0.046 4.295 4.340 0.000 0.000 0.206 504 Q C 1.060 177.030 176.000 -0.049 0.000 0.947 504 Q CA 0.481 56.248 55.803 -0.059 0.000 0.937 504 Q CB 0.348 29.061 28.738 -0.043 0.000 1.025 504 Q HN 0.539 nan 8.270 nan 0.000 0.511 505 D N -0.818 119.567 120.400 -0.026 0.000 2.137 505 D HA -0.106 4.534 4.640 0.000 0.000 0.202 505 D C 1.469 177.768 176.300 -0.001 0.000 0.970 505 D CA 1.445 55.437 54.000 -0.013 0.000 0.837 505 D CB 0.261 41.057 40.800 -0.006 0.000 0.981 505 D HN 0.045 nan 8.370 nan 0.000 0.475 506 T N -0.058 114.504 114.554 0.014 0.000 2.746 506 T HA -0.165 4.185 4.350 0.000 0.000 0.267 506 T C 1.899 176.618 174.700 0.031 0.000 1.039 506 T CA 1.124 63.255 62.100 0.052 0.000 1.142 506 T CB -0.356 68.576 68.868 0.107 0.000 0.866 506 T HN 0.253 nan 8.240 nan 0.000 0.444 507 Q N 0.851 120.612 119.800 -0.065 0.000 2.096 507 Q HA -0.230 4.110 4.340 0.000 0.000 0.208 507 Q C 2.508 178.460 176.000 -0.080 0.000 0.993 507 Q CA 1.742 57.428 55.803 -0.196 0.000 0.862 507 Q CB -0.225 28.281 28.738 -0.388 0.000 0.915 507 Q HN 0.639 nan 8.270 nan 0.000 0.416 508 Q N -0.539 119.231 119.800 -0.051 0.000 2.212 508 Q HA -0.022 4.318 4.340 0.000 0.000 0.199 508 Q C 2.007 178.008 176.000 0.002 0.000 0.950 508 Q CA 0.518 56.307 55.803 -0.024 0.000 0.863 508 Q CB 0.148 28.873 28.738 -0.023 0.000 0.944 508 Q HN 0.219 nan 8.270 nan 0.000 0.465 509 R N 0.292 120.800 120.500 0.015 0.000 2.062 509 R HA -0.024 4.316 4.340 0.000 0.000 0.226 509 R C 0.012 176.340 176.300 0.047 0.000 1.125 509 R CA 1.104 57.223 56.100 0.031 0.000 0.966 509 R CB 0.370 30.693 30.300 0.039 0.000 0.861 509 R HN -0.005 nan 8.270 nan 0.000 0.433 510 D N -1.309 119.130 120.400 0.064 0.000 2.319 510 D HA 0.128 4.768 4.640 0.000 0.000 0.237 510 D C -2.162 174.205 176.300 0.112 0.000 1.353 510 D CA -1.830 52.224 54.000 0.090 0.000 0.992 510 D CB 1.643 42.513 40.800 0.116 0.000 1.368 510 D HN -0.171 nan 8.370 nan 0.000 0.564 511 P HA -0.103 nan 4.420 nan 0.000 0.223 511 P C 0.980 178.367 177.300 0.146 0.000 1.151 511 P CA 0.665 63.840 63.100 0.125 0.000 0.787 511 P CB 0.517 32.268 31.700 0.085 0.000 0.788 512 K N -0.550 119.935 120.400 0.142 0.000 2.147 512 K HA -0.054 4.266 4.320 0.000 0.000 0.205 512 K C 2.049 178.700 176.600 0.085 0.000 1.049 512 K CA 1.643 58.032 56.287 0.170 0.000 0.936 512 K CB -0.571 32.084 32.500 0.260 0.000 0.722 512 K HN 0.134 nan 8.250 nan 0.000 0.446 513 T N -0.450 114.174 114.554 0.116 0.000 2.896 513 T HA -0.127 4.223 4.350 0.000 0.000 0.263 513 T C 1.624 176.288 174.700 -0.061 0.000 1.050 513 T CA 1.336 63.394 62.100 -0.070 0.000 1.140 513 T CB -0.284 68.662 68.868 0.130 0.000 0.877 513 T HN 0.385 nan 8.240 nan 0.000 0.457 514 H N 1.437 120.514 119.070 0.012 0.000 2.321 514 H HA 0.015 4.571 4.556 0.000 0.000 0.300 514 H C 2.309 177.635 175.328 -0.003 0.000 1.087 514 H CA 1.999 58.081 56.048 0.056 0.000 1.319 514 H CB -0.142 29.647 29.762 0.044 0.000 1.379 514 H HN 0.370 nan 8.280 nan 0.000 0.501 515 E N -0.221 119.910 120.200 -0.114 0.000 2.085 515 E HA -0.219 4.131 4.350 0.000 0.000 0.194 515 E C 2.255 178.699 176.600 -0.261 0.000 0.994 515 E CA 1.258 57.550 56.400 -0.180 0.000 0.801 515 E CB -0.132 29.536 29.700 -0.052 0.000 0.743 515 E HN 0.507 nan 8.360 nan 0.000 0.453 516 M N 0.029 119.383 119.600 -0.411 0.000 2.108 516 M HA -0.211 4.269 4.480 0.000 0.000 0.261 516 M C 1.524 177.545 176.300 -0.463 0.000 1.066 516 M CA 1.660 56.581 55.300 -0.630 0.000 1.107 516 M CB -0.541 31.224 32.600 -1.393 0.000 1.356 516 M HN 0.168 nan 8.290 nan 0.000 0.406 517 Y N 0.565 120.673 120.300 -0.320 0.000 2.263 517 Y HA -0.075 4.475 4.550 0.000 0.000 0.292 517 Y C 2.351 178.128 175.900 -0.204 0.000 1.130 517 Y CA 1.245 59.207 58.100 -0.230 0.000 1.179 517 Y CB -0.717 37.630 38.460 -0.188 0.000 0.998 517 Y HN 0.202 nan 8.280 nan 0.000 0.532 518 L N -0.290 120.861 121.223 -0.119 0.000 2.042 518 L HA -0.290 4.050 4.340 0.000 0.000 0.210 518 L C 1.999 178.824 176.870 -0.076 0.000 1.076 518 L CA 1.393 56.156 54.840 -0.128 0.000 0.749 518 L CB -0.560 41.376 42.059 -0.204 0.000 0.893 518 L HN 0.235 nan 8.230 nan 0.000 0.432 519 N N -0.352 118.287 118.700 -0.101 0.000 2.244 519 N HA -0.122 4.618 4.740 0.000 0.000 0.183 519 N C 1.872 177.360 175.510 -0.037 0.000 1.016 519 N CA 1.026 54.034 53.050 -0.070 0.000 0.866 519 N CB -0.330 38.099 38.487 -0.096 0.000 0.980 519 N HN 0.110 nan 8.380 nan 0.000 0.430 520 V N 1.165 121.052 119.914 -0.044 0.000 2.295 520 V HA -0.207 3.913 4.120 0.000 0.000 0.246 520 V C 2.352 178.496 176.094 0.083 0.000 1.049 520 V CA 1.391 63.695 62.300 0.006 0.000 1.024 520 V CB -0.420 31.408 31.823 0.008 0.000 0.648 520 V HN 0.219 nan 8.190 nan 0.000 0.447 521 M N 0.028 119.676 119.600 0.080 0.000 2.159 521 M HA -0.136 4.345 4.480 0.000 0.000 0.263 521 M C 2.145 178.506 176.300 0.103 0.000 1.063 521 M CA 1.779 57.151 55.300 0.120 0.000 1.110 521 M CB -0.583 32.037 32.600 0.033 0.000 1.374 521 M HN 0.156 nan 8.290 nan 0.000 0.411 522 R N -1.020 119.509 120.500 0.049 0.000 2.066 522 R HA -0.024 4.316 4.340 0.000 0.000 0.232 522 R C 2.290 178.623 176.300 0.054 0.000 1.131 522 R CA 1.183 57.301 56.100 0.031 0.000 0.955 522 R CB -0.394 29.909 30.300 0.006 0.000 0.851 522 R HN 0.267 nan 8.270 nan 0.000 0.432 523 R N 0.027 120.568 120.500 0.068 0.000 2.105 523 R HA -0.146 4.195 4.340 0.000 0.000 0.239 523 R C 2.082 178.478 176.300 0.159 0.000 1.135 523 R CA 1.195 57.345 56.100 0.082 0.000 0.967 523 R CB -0.587 29.748 30.300 0.060 0.000 0.861 523 R HN 0.216 nan 8.270 nan 0.000 0.442 524 F N 1.132 121.078 119.950 -0.007 0.000 2.128 524 F HA -0.066 4.461 4.527 0.000 0.000 0.295 524 F C 2.501 178.296 175.800 -0.007 0.000 1.100 524 F CA 1.163 59.160 58.000 -0.004 0.000 1.260 524 F CB -0.848 38.156 39.000 0.007 0.000 1.009 524 F HN -0.098 nan 8.300 nan 0.000 0.476 525 S N -0.320 115.366 115.700 -0.024 0.000 2.382 525 S HA -0.257 4.214 4.470 0.000 0.000 0.228 525 S C 2.119 176.679 174.600 -0.067 0.000 1.027 525 S CA 1.504 59.622 58.200 -0.137 0.000 0.991 525 S CB -0.460 62.687 63.200 -0.089 0.000 0.823 525 S HN 0.659 nan 8.310 nan 0.000 0.469 526 Q N 0.194 119.992 119.800 -0.003 0.000 2.079 526 Q HA -0.045 4.296 4.340 0.000 0.000 0.200 526 Q C 2.127 178.135 176.000 0.013 0.000 0.974 526 Q CA 1.457 57.263 55.803 0.005 0.000 0.840 526 Q CB -0.428 28.323 28.738 0.021 0.000 0.898 526 Q HN 0.608 nan 8.270 nan 0.000 0.430 527 A N 0.655 123.505 122.820 0.051 0.000 1.930 527 A HA -0.105 4.215 4.320 0.000 0.000 0.217 527 A C 2.034 179.637 177.584 0.031 0.000 1.175 527 A CA 1.007 53.082 52.037 0.062 0.000 0.627 527 A CB -0.581 18.493 19.000 0.123 0.000 0.815 527 A HN 0.451 nan 8.150 nan 0.000 0.443 528 L N -0.851 120.366 121.223 -0.009 0.000 2.056 528 L HA -0.142 4.198 4.340 0.000 0.000 0.207 528 L C 2.448 179.282 176.870 -0.059 0.000 1.078 528 L CA 0.972 55.775 54.840 -0.062 0.000 0.749 528 L CB -0.491 41.458 42.059 -0.183 0.000 0.901 528 L HN 0.344 nan 8.230 nan 0.000 0.433 529 L N -0.241 120.947 121.223 -0.059 0.000 2.201 529 L HA -0.186 4.154 4.340 0.000 0.000 0.212 529 L C 2.549 179.402 176.870 -0.028 0.000 1.105 529 L CA 1.083 55.894 54.840 -0.048 0.000 0.775 529 L CB -0.334 41.697 42.059 -0.046 0.000 0.913 529 L HN 0.213 nan 8.230 nan 0.000 0.440 530 K N 0.229 120.620 120.400 -0.016 0.000 2.296 530 K HA 0.009 4.329 4.320 0.000 0.000 0.200 530 K C 1.217 177.814 176.600 -0.005 0.000 1.048 530 K CA 0.400 56.683 56.287 -0.006 0.000 0.966 530 K CB 0.060 32.563 32.500 0.004 0.000 0.754 530 K HN 0.284 nan 8.250 nan 0.000 0.466 531 G N 1.025 109.821 108.800 -0.007 0.000 2.553 531 G HA2 0.038 3.998 3.960 0.000 0.000 0.278 531 G HA3 0.038 3.998 3.960 0.000 0.000 0.278 531 G C -0.568 174.326 174.900 -0.011 0.000 1.349 531 G CA -0.283 44.814 45.100 -0.005 0.000 1.037 531 G HN 0.448 nan 8.290 nan 0.000 0.508 532 D N -1.969 118.425 120.400 -0.009 0.000 2.447 532 D HA 0.257 4.897 4.640 0.000 0.000 0.265 532 D C 1.519 177.809 176.300 -0.018 0.000 1.250 532 D CA -0.442 53.551 54.000 -0.012 0.000 1.046 532 D CB 0.547 41.342 40.800 -0.009 0.000 1.095 532 D HN 0.165 nan 8.370 nan 0.000 0.555 533 K N -0.807 119.582 120.400 -0.018 0.000 2.074 533 K HA -0.162 4.158 4.320 0.000 0.000 0.209 533 K C 2.379 178.963 176.600 -0.027 0.000 1.048 533 K CA 1.715 57.989 56.287 -0.023 0.000 0.926 533 K CB -1.245 31.244 32.500 -0.020 0.000 0.713 533 K HN 0.618 nan 8.250 nan 0.000 0.444 534 S N 0.244 115.930 115.700 -0.023 0.000 2.402 534 S HA -0.083 4.387 4.470 0.000 0.000 0.229 534 S C 2.086 176.668 174.600 -0.030 0.000 1.021 534 S CA 1.315 59.500 58.200 -0.026 0.000 0.974 534 S CB -0.374 62.814 63.200 -0.020 0.000 0.800 534 S HN 0.187 nan 8.310 nan 0.000 0.484 535 V N 2.082 121.981 119.914 -0.025 0.000 2.407 535 V HA 0.007 4.127 4.120 0.000 0.000 0.245 535 V C 2.924 178.990 176.094 -0.047 0.000 1.041 535 V CA 1.574 63.858 62.300 -0.026 0.000 1.040 535 V CB -0.678 31.138 31.823 -0.012 0.000 0.671 535 V HN 0.445 nan 8.190 nan 0.000 0.455 536 R N -0.174 120.298 120.500 -0.047 0.000 2.081 536 R HA -0.113 4.227 4.340 0.000 0.000 0.235 536 R C 2.179 178.433 176.300 -0.077 0.000 1.131 536 R CA 1.384 57.448 56.100 -0.061 0.000 0.960 536 R CB -0.551 29.720 30.300 -0.048 0.000 0.856 536 R HN 0.396 nan 8.270 nan 0.000 0.436 537 V N 1.297 121.171 119.914 -0.067 0.000 2.720 537 V HA -0.224 3.896 4.120 0.000 0.000 0.256 537 V C 2.237 178.273 176.094 -0.096 0.000 1.082 537 V CA 1.464 63.720 62.300 -0.074 0.000 1.101 537 V CB -0.424 31.363 31.823 -0.059 0.000 0.693 537 V HN 0.346 nan 8.190 nan 0.000 0.479 538 M N -0.593 118.948 119.600 -0.100 0.000 2.213 538 M HA -0.148 4.332 4.480 0.000 0.000 0.263 538 M C 2.454 178.640 176.300 -0.190 0.000 1.062 538 M CA 1.502 56.727 55.300 -0.124 0.000 1.105 538 M CB -0.484 32.059 32.600 -0.094 0.000 1.385 538 M HN 0.253 nan 8.290 nan 0.000 0.417 539 R N 0.813 121.192 120.500 -0.201 0.000 2.083 539 R HA -0.153 4.187 4.340 0.000 0.000 0.237 539 R C 2.115 178.276 176.300 -0.231 0.000 1.137 539 R CA 2.413 58.359 56.100 -0.257 0.000 0.951 539 R CB -0.697 29.475 30.300 -0.214 0.000 0.851 539 R HN 0.465 nan 8.270 nan 0.000 0.434 540 S N 0.542 116.143 115.700 -0.165 0.000 2.402 540 S HA -0.068 4.402 4.470 0.000 0.000 0.229 540 S C 2.366 176.882 174.600 -0.140 0.000 1.021 540 S CA 0.904 59.023 58.200 -0.136 0.000 0.974 540 S CB -0.477 62.666 63.200 -0.095 0.000 0.800 540 S HN 0.365 nan 8.310 nan 0.000 0.484 541 L N 0.645 121.779 121.223 -0.148 0.000 2.093 541 L HA 0.018 4.359 4.340 0.000 0.000 0.208 541 L C 2.634 179.385 176.870 -0.198 0.000 1.085 541 L CA 0.994 55.746 54.840 -0.146 0.000 0.755 541 L CB -0.592 41.388 42.059 -0.132 0.000 0.904 541 L HN 0.310 nan 8.230 nan 0.000 0.435 542 L N -0.454 120.589 121.223 -0.300 0.000 2.046 542 L HA -0.202 4.138 4.340 0.000 0.000 0.208 542 L C 2.894 179.475 176.870 -0.480 0.000 1.077 542 L CA 1.199 55.734 54.840 -0.509 0.000 0.747 542 L CB -0.706 40.884 42.059 -0.781 0.000 0.896 542 L HN 0.251 nan 8.230 nan 0.000 0.432 543 A N 0.048 122.666 122.820 -0.337 0.000 1.902 543 A HA -0.183 4.137 4.320 0.000 0.000 0.217 543 A C 2.511 180.038 177.584 -0.095 0.000 1.181 543 A CA 1.734 53.646 52.037 -0.209 0.000 0.623 543 A CB -0.731 18.180 19.000 -0.148 0.000 0.818 543 A HN 0.407 nan 8.150 nan 0.000 0.443 544 A N -0.917 121.858 122.820 -0.075 0.000 1.972 544 A HA -0.206 4.114 4.320 0.000 0.000 0.219 544 A C 2.102 179.729 177.584 0.072 0.000 1.169 544 A CA 1.679 53.717 52.037 0.001 0.000 0.635 544 A CB -0.483 18.506 19.000 -0.019 0.000 0.810 544 A HN 0.681 nan 8.150 nan 0.000 0.446 545 Q N -1.491 118.332 119.800 0.037 0.000 2.083 545 Q HA -0.205 4.135 4.340 0.000 0.000 0.198 545 Q C 2.325 178.545 176.000 0.366 0.000 0.969 545 Q CA 1.527 57.430 55.803 0.167 0.000 0.838 545 Q CB -0.138 28.714 28.738 0.189 0.000 0.900 545 Q HN 0.728 nan 8.270 nan 0.000 0.436 546 Q N 0.305 120.251 119.800 0.243 0.000 2.084 546 Q HA -0.152 4.188 4.340 0.000 0.000 0.202 546 Q C 1.990 178.159 176.000 0.282 0.000 0.978 546 Q CA 2.335 58.330 55.803 0.319 0.000 0.844 546 Q CB -0.363 28.441 28.738 0.110 0.000 0.898 546 Q HN 0.509 nan 8.270 nan 0.000 0.426 547 T N -2.044 112.617 114.554 0.179 0.000 2.821 547 T HA -0.120 4.231 4.350 0.000 0.000 0.267 547 T C 1.681 176.474 174.700 0.154 0.000 1.046 547 T CA 0.971 63.150 62.100 0.132 0.000 1.139 547 T CB -0.714 68.197 68.868 0.071 0.000 0.871 547 T HN 0.292 nan 8.240 nan 0.000 0.454 548 F N 2.283 122.285 119.950 0.087 0.000 2.046 548 F HA -0.090 4.437 4.527 0.000 0.000 0.297 548 F C 2.410 178.267 175.800 0.095 0.000 1.123 548 F CA 1.334 59.383 58.000 0.081 0.000 1.199 548 F CB -0.643 38.408 39.000 0.085 0.000 0.972 548 F HN -0.021 nan 8.300 nan 0.000 0.474 549 V N 0.643 120.819 119.914 0.437 0.000 2.282 549 V HA -0.358 3.762 4.120 0.000 0.000 0.249 549 V C 2.125 178.292 176.094 0.121 0.000 1.057 549 V CA 2.279 64.774 62.300 0.325 0.000 1.032 549 V CB -0.790 31.344 31.823 0.518 0.000 0.645 549 V HN 0.340 nan 8.190 nan 0.000 0.447 550 D N -0.183 120.313 120.400 0.160 0.000 2.133 550 D HA -0.174 4.466 4.640 0.000 0.000 0.195 550 D C 2.399 178.700 176.300 0.002 0.000 0.997 550 D CA 1.374 55.429 54.000 0.091 0.000 0.840 550 D CB -0.290 40.572 40.800 0.103 0.000 0.947 550 D HN 0.436 nan 8.370 nan 0.000 0.452 551 R N -0.214 120.244 120.500 -0.071 0.000 2.090 551 R HA -0.049 4.292 4.340 0.000 0.000 0.228 551 R C 2.230 178.433 176.300 -0.161 0.000 1.110 551 R CA 0.259 56.280 56.100 -0.131 0.000 0.973 551 R CB -0.330 29.840 30.300 -0.217 0.000 0.869 551 R HN 0.129 nan 8.270 nan 0.000 0.440 552 L N 0.820 121.881 121.223 -0.271 0.000 2.046 552 L HA -0.132 4.208 4.340 0.000 0.000 0.208 552 L C 2.096 178.845 176.870 -0.201 0.000 1.077 552 L CA 1.535 56.183 54.840 -0.321 0.000 0.747 552 L CB -0.365 41.390 42.059 -0.507 0.000 0.896 552 L HN -0.105 nan 8.230 nan 0.000 0.432 553 V N -0.504 119.318 119.914 -0.153 0.000 2.343 553 V HA -0.339 3.781 4.120 0.000 0.000 0.247 553 V C 2.621 178.621 176.094 -0.157 0.000 1.051 553 V CA 2.011 64.216 62.300 -0.159 0.000 1.036 553 V CB -1.027 30.672 31.823 -0.206 0.000 0.654 553 V HN 0.638 nan 8.190 nan 0.000 0.451 554 H N -0.291 118.692 119.070 -0.144 0.000 2.353 554 H HA -0.137 4.419 4.556 0.000 0.000 0.300 554 H C 2.315 177.578 175.328 -0.107 0.000 1.090 554 H CA 2.096 58.081 56.048 -0.105 0.000 1.327 554 H CB 0.108 29.824 29.762 -0.077 0.000 1.383 554 H HN 0.400 nan 8.280 nan 0.000 0.508 555 L N 0.130 121.324 121.223 -0.049 0.000 2.046 555 L HA -0.178 4.162 4.340 0.000 0.000 0.208 555 L C 2.501 179.303 176.870 -0.114 0.000 1.077 555 L CA 1.012 55.803 54.840 -0.081 0.000 0.747 555 L CB -0.161 41.854 42.059 -0.074 0.000 0.896 555 L HN 0.224 nan 8.230 nan 0.000 0.432 556 M N -0.736 118.793 119.600 -0.117 0.000 2.229 556 M HA -0.190 4.290 4.480 0.000 0.000 0.264 556 M C 2.164 178.381 176.300 -0.139 0.000 1.063 556 M CA 1.536 56.776 55.300 -0.100 0.000 1.114 556 M CB -0.721 31.832 32.600 -0.078 0.000 1.387 556 M HN 0.236 nan 8.290 nan 0.000 0.420 557 K N 0.271 120.540 120.400 -0.218 0.000 2.057 557 K HA -0.049 4.271 4.320 0.000 0.000 0.206 557 K C 2.149 178.665 176.600 -0.141 0.000 1.050 557 K CA 1.403 57.596 56.287 -0.156 0.000 0.935 557 K CB -0.191 32.204 32.500 -0.175 0.000 0.715 557 K HN 0.261 nan 8.250 nan 0.000 0.439 558 A N 1.031 123.727 122.820 -0.206 0.000 1.902 558 A HA -0.135 4.185 4.320 0.000 0.000 0.217 558 A C 2.346 179.880 177.584 -0.083 0.000 1.181 558 A CA 1.495 53.438 52.037 -0.157 0.000 0.623 558 A CB -0.707 18.187 19.000 -0.177 0.000 0.818 558 A HN 0.078 nan 8.150 nan 0.000 0.443 559 V N -0.041 119.832 119.914 -0.068 0.000 2.407 559 V HA -0.225 3.896 4.120 0.000 0.000 0.248 559 V C 2.516 178.597 176.094 -0.021 0.000 1.055 559 V CA 1.938 64.216 62.300 -0.036 0.000 1.049 559 V CB -0.658 31.151 31.823 -0.024 0.000 0.662 559 V HN 0.533 nan 8.190 nan 0.000 0.455 560 Q N 0.155 119.945 119.800 -0.017 0.000 2.389 560 Q HA -0.056 4.284 4.340 0.000 0.000 0.204 560 Q C 2.259 178.257 176.000 -0.003 0.000 0.944 560 Q CA 0.763 56.567 55.803 0.003 0.000 0.908 560 Q CB -0.219 28.537 28.738 0.029 0.000 1.002 560 Q HN 0.812 nan 8.270 nan 0.000 0.493 561 R N 0.465 120.954 120.500 -0.018 0.000 2.310 561 R HA 0.113 4.453 4.340 0.000 0.000 0.202 561 R C 0.267 176.559 176.300 -0.014 0.000 0.933 561 R CA -0.041 56.050 56.100 -0.016 0.000 1.054 561 R CB 0.074 30.360 30.300 -0.024 0.000 0.985 561 R HN -0.156 nan 8.270 nan 0.000 0.489 562 E N 1.435 121.626 120.200 -0.015 0.000 2.344 562 E HA 0.001 4.351 4.350 0.000 0.000 0.270 562 E C -0.344 176.252 176.600 -0.006 0.000 1.021 562 E CA 0.001 56.394 56.400 -0.012 0.000 0.887 562 E CB 1.495 31.186 29.700 -0.014 0.000 0.997 562 E HN 0.139 nan 8.360 nan 0.000 0.429 563 S N 2.914 118.611 115.700 -0.005 0.000 2.574 563 S HA 0.383 4.853 4.470 0.000 0.000 0.242 563 S C 0.240 174.838 174.600 -0.003 0.000 0.982 563 S CA 0.045 58.244 58.200 -0.003 0.000 0.977 563 S CB -0.443 62.755 63.200 -0.003 0.000 0.814 563 S HN 0.585 nan 8.310 nan 0.000 0.464 564 G N 1.586 110.383 108.800 -0.004 0.000 2.613 564 G HA2 0.415 4.375 3.960 0.000 0.000 0.303 564 G HA3 0.415 4.375 3.960 0.000 0.000 0.303 564 G C -0.148 174.751 174.900 -0.003 0.000 1.312 564 G CA -0.880 44.218 45.100 -0.004 0.000 1.036 564 G HN 0.542 nan 8.290 nan 0.000 0.513 565 N N -1.198 117.500 118.700 -0.003 0.000 2.294 565 N HA 0.059 4.799 4.740 0.000 0.000 0.248 565 N C 1.308 176.816 175.510 -0.003 0.000 1.300 565 N CA -0.479 52.569 53.050 -0.002 0.000 0.925 565 N CB 0.651 39.136 38.487 -0.003 0.000 1.188 565 N HN 0.582 nan 8.380 nan 0.000 0.512 566 R N -0.188 120.311 120.500 -0.002 0.000 2.091 566 R HA -0.168 4.172 4.340 0.000 0.000 0.238 566 R C 1.831 178.124 176.300 -0.011 0.000 1.136 566 R CA 1.639 57.736 56.100 -0.004 0.000 0.959 566 R CB -0.207 30.091 30.300 -0.002 0.000 0.856 566 R HN 0.731 nan 8.270 nan 0.000 0.437 567 K N 0.300 120.693 120.400 -0.012 0.000 2.044 567 K HA -0.195 4.125 4.320 0.000 0.000 0.210 567 K C 1.811 178.402 176.600 -0.015 0.000 1.049 567 K CA 1.735 58.013 56.287 -0.015 0.000 0.927 567 K CB 0.054 32.547 32.500 -0.012 0.000 0.713 567 K HN 0.057 nan 8.250 nan 0.000 0.443 568 K N 0.834 121.227 120.400 -0.012 0.000 2.097 568 K HA -0.106 4.215 4.320 0.000 0.000 0.205 568 K C 2.063 178.655 176.600 -0.013 0.000 1.050 568 K CA 1.229 57.509 56.287 -0.012 0.000 0.938 568 K CB -0.095 32.399 32.500 -0.009 0.000 0.718 568 K HN 0.225 nan 8.250 nan 0.000 0.442 569 K N 0.796 121.190 120.400 -0.011 0.000 2.057 569 K HA -0.094 4.226 4.320 0.000 0.000 0.207 569 K C 1.857 178.447 176.600 -0.016 0.000 1.049 569 K CA 1.063 57.343 56.287 -0.011 0.000 0.931 569 K CB -0.092 32.404 32.500 -0.005 0.000 0.714 569 K HN 0.052 nan 8.250 nan 0.000 0.440 570 N N 1.329 120.017 118.700 -0.019 0.000 2.104 570 N HA -0.163 4.578 4.740 0.000 0.000 0.190 570 N C 1.482 176.977 175.510 -0.025 0.000 1.024 570 N CA 1.284 54.318 53.050 -0.027 0.000 0.853 570 N CB -0.080 38.387 38.487 -0.033 0.000 1.008 570 N HN 0.318 nan 8.380 nan 0.000 0.424 571 E N -0.058 120.129 120.200 -0.022 0.000 2.106 571 E HA -0.136 4.214 4.350 0.000 0.000 0.192 571 E C 1.973 178.561 176.600 -0.020 0.000 0.984 571 E CA 0.628 57.016 56.400 -0.020 0.000 0.806 571 E CB 0.042 29.732 29.700 -0.018 0.000 0.750 571 E HN 0.125 nan 8.360 nan 0.000 0.458 572 R N 1.018 121.507 120.500 -0.019 0.000 2.075 572 R HA -0.123 4.217 4.340 0.000 0.000 0.232 572 R C 2.148 178.434 176.300 -0.024 0.000 1.126 572 R CA 0.799 56.886 56.100 -0.021 0.000 0.963 572 R CB -0.592 29.696 30.300 -0.020 0.000 0.858 572 R HN 0.147 nan 8.270 nan 0.000 0.435 573 L N 0.860 122.068 121.223 -0.024 0.000 2.012 573 L HA -0.187 4.153 4.340 0.000 0.000 0.210 573 L C 1.893 178.745 176.870 -0.030 0.000 1.073 573 L CA 1.953 56.777 54.840 -0.027 0.000 0.748 573 L CB -0.590 41.455 42.059 -0.023 0.000 0.891 573 L HN 0.326 nan 8.230 nan 0.000 0.431 574 Q N -0.980 118.803 119.800 -0.028 0.000 2.123 574 Q HA -0.090 4.251 4.340 0.000 0.000 0.199 574 Q C 2.260 178.245 176.000 -0.026 0.000 0.966 574 Q CA 1.382 57.169 55.803 -0.028 0.000 0.845 574 Q CB -0.342 28.380 28.738 -0.026 0.000 0.907 574 Q HN 0.678 nan 8.270 nan 0.000 0.439 575 A N 1.015 123.821 122.820 -0.024 0.000 1.877 575 A HA -0.162 4.158 4.320 0.000 0.000 0.216 575 A C 2.082 179.652 177.584 -0.022 0.000 1.186 575 A CA 1.095 53.120 52.037 -0.021 0.000 0.620 575 A CB -0.729 18.261 19.000 -0.018 0.000 0.822 575 A HN 0.277 nan 8.150 nan 0.000 0.443 576 L N -0.746 120.462 121.223 -0.025 0.000 2.017 576 L HA -0.189 4.151 4.340 0.000 0.000 0.208 576 L C 2.606 179.454 176.870 -0.036 0.000 1.073 576 L CA 1.177 56.001 54.840 -0.026 0.000 0.745 576 L CB -0.480 41.562 42.059 -0.028 0.000 0.894 576 L HN 0.380 nan 8.230 nan 0.000 0.432 577 L N -0.606 120.592 121.223 -0.043 0.000 2.083 577 L HA -0.143 4.197 4.340 0.000 0.000 0.209 577 L C 2.404 179.251 176.870 -0.038 0.000 1.083 577 L CA 1.278 56.087 54.840 -0.052 0.000 0.752 577 L CB -0.846 41.180 42.059 -0.055 0.000 0.899 577 L HN 0.327 nan 8.230 nan 0.000 0.433 578 G N -1.654 107.128 108.800 -0.029 0.000 2.776 578 G HA2 -0.171 3.789 3.960 0.000 0.000 0.209 578 G HA3 -0.171 3.789 3.960 0.000 0.000 0.209 578 G C 0.245 175.133 174.900 -0.019 0.000 1.145 578 G CA -0.001 45.086 45.100 -0.022 0.000 0.791 578 G HN 0.190 nan 8.290 nan 0.000 0.530 579 D N 0.086 120.473 120.400 -0.022 0.000 2.485 579 D HA 0.148 4.789 4.640 0.000 0.000 0.221 579 D C 0.930 177.217 176.300 -0.022 0.000 1.112 579 D CA -0.606 53.383 54.000 -0.019 0.000 0.911 579 D CB 0.439 41.229 40.800 -0.017 0.000 1.019 579 D HN -0.029 nan 8.370 nan 0.000 0.516 580 N N 2.456 121.146 118.700 -0.017 0.000 2.409 580 N HA -0.071 4.669 4.740 0.000 0.000 0.179 580 N C 1.212 176.711 175.510 -0.018 0.000 1.032 580 N CA 0.798 53.838 53.050 -0.016 0.000 0.898 580 N CB 0.372 38.856 38.487 -0.004 0.000 0.971 580 N HN 0.437 nan 8.380 nan 0.000 0.441 581 E N 0.051 120.241 120.200 -0.016 0.000 2.072 581 E HA -0.180 4.170 4.350 0.000 0.000 0.191 581 E C 1.613 178.199 176.600 -0.023 0.000 0.985 581 E CA 0.823 57.213 56.400 -0.017 0.000 0.801 581 E CB 0.008 29.700 29.700 -0.013 0.000 0.750 581 E HN 0.343 nan 8.360 nan 0.000 0.452 582 K N -0.027 120.359 120.400 -0.023 0.000 2.044 582 K HA -0.049 4.271 4.320 0.000 0.000 0.204 582 K C 1.831 178.408 176.600 -0.039 0.000 1.049 582 K CA 1.020 57.293 56.287 -0.024 0.000 0.945 582 K CB 0.259 32.753 32.500 -0.011 0.000 0.724 582 K HN 0.026 nan 8.250 nan 0.000 0.440 583 M N -0.122 119.452 119.600 -0.043 0.000 2.538 583 M HA 0.042 4.522 4.480 0.000 0.000 0.259 583 M C 0.226 176.467 176.300 -0.099 0.000 1.217 583 M CA 0.257 55.517 55.300 -0.066 0.000 1.131 583 M CB -0.565 32.002 32.600 -0.055 0.000 1.382 583 M HN 0.146 nan 8.290 nan 0.000 0.520 584 N N 1.555 120.213 118.700 -0.070 0.000 2.714 584 N HA -0.182 4.558 4.740 0.000 0.000 0.253 584 N C -0.172 175.285 175.510 -0.089 0.000 1.024 584 N CA 0.399 53.416 53.050 -0.055 0.000 0.726 584 N CB -1.199 37.264 38.487 -0.041 0.000 0.908 584 N HN 0.439 nan 8.380 nan 0.000 0.542 585 L N -1.025 120.136 121.223 -0.102 0.000 2.781 585 L HA 0.169 4.509 4.340 0.000 0.000 0.245 585 L C 1.857 178.754 176.870 0.044 0.000 1.118 585 L CA 0.710 55.464 54.840 -0.144 0.000 0.918 585 L CB 0.056 41.941 42.059 -0.291 0.000 1.246 585 L HN 0.412 nan 8.230 nan 0.000 0.526 586 S N -2.301 113.416 115.700 0.028 0.000 2.456 586 S HA 0.111 4.581 4.470 0.000 0.000 0.224 586 S C 0.398 175.040 174.600 0.069 0.000 1.035 586 S CA 0.027 58.252 58.200 0.042 0.000 0.940 586 S CB 0.194 63.399 63.200 0.009 0.000 0.799 586 S HN 0.181 nan 8.310 nan 0.000 0.508 587 D N 1.927 122.369 120.400 0.070 0.000 2.476 587 D HA 0.513 5.153 4.640 0.000 0.000 0.251 587 D C -0.734 175.616 176.300 0.084 0.000 1.291 587 D CA -0.289 53.752 54.000 0.068 0.000 0.939 587 D CB 2.134 42.957 40.800 0.038 0.000 1.221 587 D HN 0.327 nan 8.370 nan 0.000 0.567 588 V N -0.902 119.076 119.914 0.107 0.000 3.102 588 V HA 0.570 4.690 4.120 0.000 0.000 0.312 588 V C 0.047 176.176 176.094 0.058 0.000 1.135 588 V CA -1.246 61.119 62.300 0.109 0.000 1.022 588 V CB 2.229 34.182 31.823 0.217 0.000 1.056 588 V HN 0.458 nan 8.190 nan 0.000 0.436 589 E N 1.790 122.014 120.200 0.040 0.000 2.442 589 E HA 0.140 4.490 4.350 0.000 0.000 0.262 589 E C -0.355 176.237 176.600 -0.014 0.000 1.004 589 E CA -0.627 55.778 56.400 0.008 0.000 0.928 589 E CB 0.901 30.600 29.700 -0.002 0.000 0.937 589 E HN 0.689 nan 8.360 nan 0.000 0.446 590 L N 4.941 126.147 121.223 -0.029 0.000 2.660 590 L HA 0.044 4.384 4.340 0.000 0.000 0.272 590 L C -0.322 176.496 176.870 -0.087 0.000 1.194 590 L CA 0.971 55.778 54.840 -0.056 0.000 0.945 590 L CB -0.426 41.605 42.059 -0.048 0.000 1.212 590 L HN 0.539 nan 8.230 nan 0.000 0.490 591 I N 3.258 123.746 120.570 -0.136 0.000 2.785 591 I HA 0.660 4.830 4.170 0.000 0.000 0.302 591 I C -2.542 173.437 176.117 -0.230 0.000 1.069 591 I CA -2.738 58.460 61.300 -0.170 0.000 1.045 591 I CB 1.863 39.753 38.000 -0.183 0.000 1.236 591 I HN 0.331 nan 8.210 nan 0.000 0.429 592 P HA 0.065 nan 4.420 nan 0.000 0.267 592 P C -0.659 176.410 177.300 -0.385 0.000 1.200 592 P CA -0.177 62.765 63.100 -0.264 0.000 0.772 592 P CB 0.457 32.031 31.700 -0.209 0.000 0.855 593 L N 6.835 127.764 121.223 -0.489 0.000 2.369 593 L HA 0.240 4.580 4.340 0.000 0.000 0.279 593 L C -1.662 174.842 176.870 -0.610 0.000 1.108 593 L CA -1.925 52.494 54.840 -0.702 0.000 0.852 593 L CB 0.220 41.772 42.059 -0.846 0.000 1.169 593 L HN 0.295 nan 8.230 nan 0.000 0.452 594 P HA -0.232 nan 4.420 nan 0.000 0.216 594 P C 1.551 178.500 177.300 -0.586 0.000 1.157 594 P CA 1.190 63.914 63.100 -0.626 0.000 0.880 594 P CB 0.119 31.266 31.700 -0.921 0.000 0.791 595 L N -0.718 120.163 121.223 -0.570 0.000 2.083 595 L HA -0.045 4.295 4.340 0.000 0.000 0.209 595 L C 0.893 177.675 176.870 -0.147 0.000 1.083 595 L CA 1.794 56.470 54.840 -0.272 0.000 0.752 595 L CB -0.506 41.411 42.059 -0.236 0.000 0.899 595 L HN -0.079 nan 8.230 nan 0.000 0.433 596 E N -0.924 119.095 120.200 -0.302 0.000 2.768 596 E HA 0.191 4.541 4.350 0.000 0.000 0.290 596 E C -2.104 174.333 176.600 -0.271 0.000 1.100 596 E CA -1.395 54.898 56.400 -0.178 0.000 0.768 596 E CB 1.069 30.703 29.700 -0.110 0.000 1.501 596 E HN 0.052 nan 8.360 nan 0.000 0.384 597 P HA -0.162 nan 4.420 nan 0.000 0.225 597 P C 0.739 177.934 177.300 -0.175 0.000 1.148 597 P CA 0.819 63.759 63.100 -0.266 0.000 0.779 597 P CB 0.431 31.955 31.700 -0.294 0.000 0.780 598 Q N -0.486 119.246 119.800 -0.113 0.000 2.291 598 Q HA -0.005 4.336 4.340 0.000 0.000 0.205 598 Q C 0.717 176.659 176.000 -0.098 0.000 0.970 598 Q CA 0.628 56.386 55.803 -0.075 0.000 0.876 598 Q CB -0.486 28.238 28.738 -0.025 0.000 0.935 598 Q HN 0.134 nan 8.270 nan 0.000 0.455 599 V N 2.210 122.028 119.914 -0.159 0.000 2.432 599 V HA 0.152 4.273 4.120 0.000 0.000 0.275 599 V C -0.025 175.924 176.094 -0.241 0.000 1.043 599 V CA -0.636 61.551 62.300 -0.187 0.000 0.925 599 V CB 1.131 32.793 31.823 -0.269 0.000 0.985 599 V HN 0.078 nan 8.190 nan 0.000 0.466 600 K N 5.257 125.554 120.400 -0.172 0.000 2.130 600 K HA 0.672 4.992 4.320 0.000 0.000 0.268 600 K C -0.566 175.935 176.600 -0.166 0.000 0.983 600 K CA -0.455 55.724 56.287 -0.180 0.000 0.893 600 K CB 2.210 34.638 32.500 -0.120 0.000 1.066 600 K HN 0.662 nan 8.250 nan 0.000 0.450 601 I N -1.730 118.718 120.570 -0.204 0.000 2.892 601 I HA 0.505 4.675 4.170 0.000 0.000 0.306 601 I C 0.555 176.628 176.117 -0.073 0.000 1.078 601 I CA -0.710 60.515 61.300 -0.125 0.000 1.032 601 I CB 2.070 39.959 38.000 -0.184 0.000 1.229 601 I HN 0.625 nan 8.210 nan 0.000 0.435 602 R N 2.582 123.093 120.500 0.020 0.000 2.508 602 R HA 0.786 5.126 4.340 0.000 0.000 0.300 602 R C 0.278 176.641 176.300 0.106 0.000 0.970 602 R CA -0.017 56.107 56.100 0.039 0.000 1.102 602 R CB 0.321 30.641 30.300 0.034 0.000 1.246 602 R HN 1.203 nan 8.270 nan 0.000 0.539 603 G N 0.906 109.810 108.800 0.174 0.000 2.362 603 G HA2 0.149 4.109 3.960 0.000 0.000 0.288 603 G HA3 0.149 4.109 3.960 0.000 0.000 0.288 603 G C -1.673 173.321 174.900 0.156 0.000 1.305 603 G CA -0.961 44.284 45.100 0.242 0.000 0.910 603 G HN 0.047 nan 8.290 nan 0.000 0.518 604 I N 0.612 121.202 120.570 0.032 0.000 2.474 604 I HA 0.423 4.593 4.170 0.000 0.000 0.294 604 I C 0.248 176.339 176.117 -0.043 0.000 1.005 604 I CA -0.906 60.302 61.300 -0.154 0.000 1.113 604 I CB 1.997 39.827 38.000 -0.284 0.000 1.289 604 I HN 0.357 nan 8.210 nan 0.000 0.436 605 I N 7.849 128.414 120.570 -0.009 0.000 2.505 605 I HA 0.054 4.224 4.170 0.000 0.000 0.287 605 I C -1.411 174.701 176.117 -0.008 0.000 1.104 605 I CA -1.144 60.159 61.300 0.006 0.000 1.387 605 I CB 0.612 38.621 38.000 0.015 0.000 1.404 605 I HN 0.402 nan 8.210 nan 0.000 0.528 606 P HA -0.178 nan 4.420 nan 0.000 0.215 606 P C 1.054 178.341 177.300 -0.022 0.000 1.157 606 P CA 1.062 64.148 63.100 -0.024 0.000 0.859 606 P CB 0.055 31.741 31.700 -0.024 0.000 0.786 607 E N -0.163 120.020 120.200 -0.028 0.000 2.502 607 E HA -0.033 4.317 4.350 0.000 0.000 0.194 607 E C 0.629 177.204 176.600 -0.042 0.000 1.062 607 E CA 1.124 57.503 56.400 -0.035 0.000 0.867 607 E CB -1.104 28.572 29.700 -0.039 0.000 0.888 607 E HN 0.305 nan 8.360 nan 0.000 0.510 608 T N -2.619 111.916 114.554 -0.032 0.000 3.040 608 T HA 0.543 4.893 4.350 0.000 0.000 0.266 608 T C 0.702 175.447 174.700 0.074 0.000 1.005 608 T CA -0.029 62.058 62.100 -0.022 0.000 0.906 608 T CB 0.404 69.180 68.868 -0.153 0.000 1.082 608 T HN 0.255 nan 8.240 nan 0.000 0.531 609 A N 2.309 125.152 122.820 0.038 0.000 2.409 609 A HA 0.637 4.957 4.320 0.000 0.000 0.267 609 A C 0.632 178.194 177.584 -0.036 0.000 1.127 609 A CA -0.229 51.814 52.037 0.010 0.000 0.795 609 A CB -0.031 18.963 19.000 -0.011 0.000 1.061 609 A HN 0.688 nan 8.150 nan 0.000 0.502 610 T N 0.133 114.636 114.554 -0.086 0.000 2.843 610 T HA 0.644 4.994 4.350 0.000 0.000 0.302 610 T C -0.647 173.947 174.700 -0.177 0.000 1.232 610 T CA -0.789 61.238 62.100 -0.121 0.000 1.009 610 T CB 0.658 69.440 68.868 -0.144 0.000 1.254 610 T HN 0.442 nan 8.240 nan 0.000 0.504 611 L N 1.444 122.588 121.223 -0.131 0.000 2.325 611 L HA 0.566 4.906 4.340 0.000 0.000 0.279 611 L C -0.317 176.479 176.870 -0.122 0.000 1.054 611 L CA -1.087 53.707 54.840 -0.077 0.000 0.804 611 L CB 0.706 42.767 42.059 0.002 0.000 1.200 611 L HN 0.611 nan 8.230 nan 0.000 0.436 612 F N 1.255 121.208 119.950 0.005 0.000 2.459 612 F HA 0.111 4.638 4.527 0.000 0.000 0.346 612 F C 0.984 176.789 175.800 0.008 0.000 1.128 612 F CA -0.198 57.808 58.000 0.009 0.000 1.268 612 F CB 0.466 39.476 39.000 0.018 0.000 1.161 612 F HN 0.366 nan 8.300 nan 0.000 0.583 613 K N 2.609 123.133 120.400 0.206 0.000 2.187 613 K HA 0.263 4.583 4.320 0.000 0.000 0.242 613 K C -0.939 175.724 176.600 0.104 0.000 1.179 613 K CA -0.042 56.313 56.287 0.113 0.000 1.097 613 K CB -0.311 32.234 32.500 0.075 0.000 1.634 613 K HN 0.746 nan 8.250 nan 0.000 0.335 614 S N 0.026 115.783 115.700 0.096 0.000 2.615 614 S HA 0.457 4.928 4.470 0.000 0.000 0.269 614 S C 0.832 175.456 174.600 0.040 0.000 1.161 614 S CA -0.568 57.664 58.200 0.053 0.000 0.817 614 S CB 1.225 64.447 63.200 0.037 0.000 1.131 614 S HN 0.218 nan 8.310 nan 0.000 0.467 615 A N 0.708 123.540 122.820 0.020 0.000 1.903 615 A HA -0.012 4.308 4.320 0.000 0.000 0.219 615 A C 1.792 179.385 177.584 0.016 0.000 1.191 615 A CA 1.839 53.885 52.037 0.013 0.000 0.638 615 A CB -1.207 17.795 19.000 0.004 0.000 0.823 615 A HN 0.834 nan 8.150 nan 0.000 0.451 616 L N -1.366 119.865 121.223 0.012 0.000 2.591 616 L HA 0.169 4.510 4.340 0.000 0.000 0.228 616 L C 0.296 177.188 176.870 0.037 0.000 1.133 616 L CA -0.138 54.707 54.840 0.009 0.000 0.880 616 L CB -0.365 41.683 42.059 -0.018 0.000 1.033 616 L HN 0.418 nan 8.230 nan 0.000 0.450 617 M N 0.348 119.985 119.600 0.061 0.000 2.212 617 M HA -0.140 4.340 4.480 0.000 0.000 0.193 617 M C -2.135 174.238 176.300 0.121 0.000 0.493 617 M CA -0.175 55.182 55.300 0.095 0.000 0.427 617 M CB -1.650 30.990 32.600 0.066 0.000 1.120 617 M HN 0.016 nan 8.290 nan 0.000 0.929 618 P HA 0.369 nan 4.420 nan 0.000 0.272 618 P C -0.453 177.040 177.300 0.322 0.000 1.240 618 P CA -0.024 63.181 63.100 0.175 0.000 0.791 618 P CB 0.758 32.520 31.700 0.102 0.000 0.978 619 A N 1.427 124.411 122.820 0.274 0.000 2.317 619 A HA 0.339 4.659 4.320 0.000 0.000 0.327 619 A C -0.047 177.669 177.584 0.221 0.000 1.178 619 A CA -0.669 51.483 52.037 0.193 0.000 0.817 619 A CB 0.510 19.600 19.000 0.151 0.000 1.189 619 A HN 0.578 nan 8.150 nan 0.000 0.489 620 Q N 2.094 121.867 119.800 -0.044 0.000 2.322 620 Q HA 0.566 4.906 4.340 0.000 0.000 0.256 620 Q C -1.646 174.261 176.000 -0.154 0.000 0.960 620 Q CA -0.109 55.596 55.803 -0.163 0.000 0.934 620 Q CB 0.367 28.774 28.738 -0.550 0.000 1.200 620 Q HN 0.695 nan 8.270 nan 0.000 0.435 621 L N 4.372 125.523 121.223 -0.120 0.000 2.362 621 L HA 0.491 4.831 4.340 0.000 0.000 0.275 621 L C -1.005 175.752 176.870 -0.188 0.000 0.998 621 L CA -0.755 54.022 54.840 -0.105 0.000 0.820 621 L CB 1.399 43.411 42.059 -0.079 0.000 1.270 621 L HN 0.610 nan 8.230 nan 0.000 0.415 622 F N 2.551 122.469 119.950 -0.053 0.000 2.371 622 F HA 0.382 4.910 4.527 0.000 0.000 0.363 622 F C 0.143 175.937 175.800 -0.011 0.000 1.122 622 F CA -0.216 57.803 58.000 0.031 0.000 1.129 622 F CB 0.541 39.547 39.000 0.011 0.000 1.173 622 F HN 0.194 nan 8.300 nan 0.000 0.489 623 F N 2.873 122.968 119.950 0.242 0.000 2.443 623 F HA 0.234 4.761 4.527 0.000 0.000 0.353 623 F C 0.708 176.596 175.800 0.148 0.000 1.101 623 F CA -0.434 57.657 58.000 0.152 0.000 1.226 623 F CB 0.686 39.715 39.000 0.049 0.000 1.140 623 F HN 0.248 nan 8.300 nan 0.000 0.557 624 K N 2.626 123.183 120.400 0.261 0.000 2.310 624 K HA 0.194 4.514 4.320 0.000 0.000 0.290 624 K C 0.267 176.957 176.600 0.149 0.000 1.077 624 K CA -0.408 55.981 56.287 0.171 0.000 0.922 624 K CB 0.383 32.949 32.500 0.111 0.000 1.057 624 K HN 0.680 nan 8.250 nan 0.000 0.479 625 T N -1.300 113.333 114.554 0.131 0.000 2.824 625 T HA 0.056 4.406 4.350 0.000 0.000 0.277 625 T C 1.304 176.029 174.700 0.041 0.000 0.975 625 T CA -0.726 61.418 62.100 0.075 0.000 0.966 625 T CB 1.317 70.242 68.868 0.094 0.000 1.054 625 T HN 0.664 nan 8.240 nan 0.000 0.533 626 E N 0.490 120.696 120.200 0.010 0.000 2.085 626 E HA -0.227 4.123 4.350 0.000 0.000 0.194 626 E C 1.415 178.023 176.600 0.014 0.000 0.994 626 E CA 1.702 58.103 56.400 0.001 0.000 0.801 626 E CB -0.201 29.489 29.700 -0.017 0.000 0.743 626 E HN 0.840 nan 8.360 nan 0.000 0.453 627 D N -1.355 119.060 120.400 0.024 0.000 2.363 627 D HA 0.000 4.640 4.640 0.000 0.000 0.226 627 D C 1.238 177.557 176.300 0.032 0.000 1.020 627 D CA 0.903 54.919 54.000 0.026 0.000 0.892 627 D CB 0.217 41.035 40.800 0.030 0.000 0.900 627 D HN 0.387 nan 8.370 nan 0.000 0.531 628 G N -0.887 107.936 108.800 0.038 0.000 2.175 628 G HA2 -0.172 3.788 3.960 0.000 0.000 0.244 628 G HA3 -0.172 3.788 3.960 0.000 0.000 0.244 628 G C 0.656 175.587 174.900 0.052 0.000 0.982 628 G CA 0.151 45.275 45.100 0.039 0.000 0.641 628 G HN 0.801 nan 8.290 nan 0.000 0.527 629 G N -0.207 108.634 108.800 0.068 0.000 2.509 629 G HA2 0.698 4.658 3.960 0.000 0.000 0.269 629 G HA3 0.698 4.658 3.960 0.000 0.000 0.269 629 G C 0.051 175.031 174.900 0.132 0.000 1.416 629 G CA 0.119 45.272 45.100 0.089 0.000 1.052 629 G HN 0.992 nan 8.290 nan 0.000 0.542 630 K N -2.071 118.436 120.400 0.178 0.000 2.482 630 K HA 0.542 4.862 4.320 0.000 0.000 0.257 630 K C -2.255 174.558 176.600 0.356 0.000 0.969 630 K CA -1.015 55.438 56.287 0.278 0.000 0.842 630 K CB 2.567 35.244 32.500 0.295 0.000 1.359 630 K HN 0.428 nan 8.250 nan 0.000 0.441 631 Y N 1.791 122.255 120.300 0.273 0.000 2.373 631 Y HA 0.308 4.858 4.550 0.000 0.000 0.327 631 Y C -2.818 173.217 175.900 0.224 0.000 1.036 631 Y CA -2.108 56.125 58.100 0.221 0.000 1.265 631 Y CB 1.797 40.342 38.460 0.141 0.000 1.108 631 Y HN 0.474 nan 8.280 nan 0.000 0.471 632 P HA 0.318 nan 4.420 nan 0.000 0.280 632 P C -0.947 176.453 177.300 0.167 0.000 1.244 632 P CA 0.033 63.039 63.100 -0.156 0.000 0.784 632 P CB 1.899 33.342 31.700 -0.427 0.000 0.913 633 V N 1.072 121.113 119.914 0.212 0.000 3.078 633 V HA 0.616 4.736 4.120 0.000 0.000 0.311 633 V C -0.645 175.661 176.094 0.353 0.000 1.138 633 V CA -1.193 61.359 62.300 0.421 0.000 1.007 633 V CB 2.166 34.384 31.823 0.659 0.000 1.045 633 V HN 0.289 nan 8.190 nan 0.000 0.432 634 I N 3.077 123.896 120.570 0.415 0.000 2.339 634 I HA 0.425 4.595 4.170 0.000 0.000 0.290 634 I C -1.126 175.215 176.117 0.373 0.000 0.994 634 I CA -0.257 61.264 61.300 0.369 0.000 1.191 634 I CB 1.594 39.741 38.000 0.245 0.000 1.343 634 I HN 0.685 nan 8.210 nan 0.000 0.458 635 F N 7.509 127.540 119.950 0.135 0.000 2.361 635 F HA 0.428 4.955 4.527 0.000 0.000 0.364 635 F C -0.254 175.530 175.800 -0.026 0.000 1.117 635 F CA -0.716 57.234 58.000 -0.084 0.000 1.071 635 F CB 0.620 39.526 39.000 -0.156 0.000 1.188 635 F HN 0.291 nan 8.300 nan 0.000 0.464 636 K N 4.818 124.870 120.400 -0.580 0.000 2.185 636 K HA 0.295 4.615 4.320 0.000 0.000 0.269 636 K C -1.352 174.893 176.600 -0.591 0.000 0.987 636 K CA -0.783 55.254 56.287 -0.416 0.000 0.865 636 K CB 1.381 33.758 32.500 -0.203 0.000 1.090 636 K HN 0.622 nan 8.250 nan 0.000 0.450 637 H N -0.208 118.599 119.070 -0.438 0.000 2.538 637 H HA 0.394 4.950 4.556 0.000 0.000 0.353 637 H C 0.471 175.728 175.328 -0.118 0.000 1.109 637 H CA 0.463 56.341 56.048 -0.284 0.000 1.192 637 H CB 1.761 31.394 29.762 -0.215 0.000 1.555 637 H HN 0.736 nan 8.280 nan 0.000 0.518 638 G N 3.383 111.801 108.800 -0.637 0.000 2.149 638 G HA2 -0.188 3.772 3.960 0.000 0.000 0.235 638 G HA3 -0.188 3.772 3.960 0.000 0.000 0.235 638 G C -0.588 174.189 174.900 -0.205 0.000 1.018 638 G CA 0.252 45.102 45.100 -0.417 0.000 0.728 638 G HN 0.765 nan 8.290 nan 0.000 0.508 639 D N -0.477 119.821 120.400 -0.169 0.000 2.934 639 D HA 0.450 5.090 4.640 0.000 0.000 0.230 639 D C -1.594 174.655 176.300 -0.085 0.000 1.204 639 D CA -0.496 53.440 54.000 -0.107 0.000 0.873 639 D CB 1.697 42.438 40.800 -0.098 0.000 1.645 639 D HN -0.043 nan 8.370 nan 0.000 0.502 640 D N 3.185 123.549 120.400 -0.060 0.000 2.428 640 D HA 0.168 4.808 4.640 0.000 0.000 0.221 640 D C 0.408 176.698 176.300 -0.018 0.000 1.123 640 D CA -0.368 53.605 54.000 -0.044 0.000 0.869 640 D CB 0.887 41.662 40.800 -0.041 0.000 1.032 640 D HN 0.181 nan 8.370 nan 0.000 0.506 641 L N 3.791 125.012 121.223 -0.003 0.000 2.612 641 L HA 0.224 4.564 4.340 0.000 0.000 0.230 641 L C 2.255 179.152 176.870 0.046 0.000 1.140 641 L CA 0.257 55.119 54.840 0.038 0.000 0.896 641 L CB -0.294 41.802 42.059 0.062 0.000 1.065 641 L HN 0.267 nan 8.230 nan 0.000 0.447 642 R N -0.679 119.832 120.500 0.019 0.000 2.092 642 R HA -0.171 4.169 4.340 0.000 0.000 0.231 642 R C 2.048 178.351 176.300 0.005 0.000 1.119 642 R CA 1.137 57.241 56.100 0.007 0.000 0.970 642 R CB -0.103 30.187 30.300 -0.016 0.000 0.864 642 R HN 0.427 nan 8.270 nan 0.000 0.440 643 Q N 1.152 120.962 119.800 0.018 0.000 2.050 643 Q HA -0.201 4.139 4.340 0.000 0.000 0.202 643 Q C 1.010 177.045 176.000 0.057 0.000 0.980 643 Q CA 2.182 58.004 55.803 0.032 0.000 0.840 643 Q CB 0.050 28.810 28.738 0.036 0.000 0.898 643 Q HN 0.250 nan 8.270 nan 0.000 0.424 644 D N -0.202 120.261 120.400 0.106 0.000 2.117 644 D HA -0.209 4.431 4.640 0.000 0.000 0.197 644 D C 1.794 178.140 176.300 0.075 0.000 0.987 644 D CA 1.298 55.400 54.000 0.169 0.000 0.829 644 D CB -0.083 40.865 40.800 0.247 0.000 0.961 644 D HN 0.335 nan 8.370 nan 0.000 0.460 645 Q N -0.019 119.817 119.800 0.060 0.000 2.077 645 Q HA -0.211 4.130 4.340 0.000 0.000 0.206 645 Q C 2.088 178.061 176.000 -0.046 0.000 0.989 645 Q CA 1.058 56.880 55.803 0.032 0.000 0.853 645 Q CB -0.146 28.623 28.738 0.052 0.000 0.907 645 Q HN 0.284 nan 8.270 nan 0.000 0.418 646 L N 0.519 121.700 121.223 -0.069 0.000 2.017 646 L HA -0.188 4.152 4.340 0.000 0.000 0.208 646 L C 2.086 178.867 176.870 -0.148 0.000 1.073 646 L CA 1.630 56.396 54.840 -0.123 0.000 0.745 646 L CB -0.650 41.347 42.059 -0.102 0.000 0.894 646 L HN 0.295 nan 8.230 nan 0.000 0.432 647 I N -0.545 119.935 120.570 -0.149 0.000 2.252 647 I HA -0.229 3.941 4.170 0.000 0.000 0.245 647 I C 2.489 178.403 176.117 -0.339 0.000 1.102 647 I CA 0.949 62.086 61.300 -0.271 0.000 1.385 647 I CB -1.253 36.477 38.000 -0.449 0.000 1.064 647 I HN 0.270 nan 8.210 nan 0.000 0.414 648 L N 0.465 121.508 121.223 -0.301 0.000 2.131 648 L HA -0.194 4.147 4.340 0.000 0.000 0.210 648 L C 2.511 179.267 176.870 -0.191 0.000 1.092 648 L CA 1.560 56.229 54.840 -0.285 0.000 0.759 648 L CB -1.261 40.618 42.059 -0.300 0.000 0.903 648 L HN 0.429 nan 8.230 nan 0.000 0.435 649 Q N -0.195 119.513 119.800 -0.153 0.000 2.079 649 Q HA -0.189 4.151 4.340 0.000 0.000 0.200 649 Q C 2.151 178.071 176.000 -0.134 0.000 0.974 649 Q CA 1.209 56.933 55.803 -0.132 0.000 0.840 649 Q CB 0.177 28.837 28.738 -0.130 0.000 0.898 649 Q HN 0.352 nan 8.270 nan 0.000 0.430 650 I N 0.886 121.366 120.570 -0.150 0.000 2.315 650 I HA -0.229 3.941 4.170 0.000 0.000 0.248 650 I C 2.392 178.454 176.117 -0.091 0.000 1.117 650 I CA 0.880 62.111 61.300 -0.115 0.000 1.404 650 I CB -0.894 37.044 38.000 -0.104 0.000 1.071 650 I HN 0.219 nan 8.210 nan 0.000 0.419 651 I N 0.021 120.510 120.570 -0.134 0.000 2.315 651 I HA -0.275 3.895 4.170 0.000 0.000 0.248 651 I C 2.769 178.823 176.117 -0.106 0.000 1.117 651 I CA 1.108 62.332 61.300 -0.126 0.000 1.404 651 I CB -0.244 37.663 38.000 -0.156 0.000 1.071 651 I HN 0.177 nan 8.210 nan 0.000 0.419 652 S N 1.144 116.779 115.700 -0.108 0.000 2.348 652 S HA -0.224 4.246 4.470 0.000 0.000 0.221 652 S C 2.100 176.647 174.600 -0.089 0.000 1.033 652 S CA 1.565 59.709 58.200 -0.093 0.000 1.010 652 S CB -0.394 62.748 63.200 -0.096 0.000 0.891 652 S HN 0.365 nan 8.310 nan 0.000 0.442 653 L N 1.115 122.287 121.223 -0.085 0.000 2.013 653 L HA -0.096 4.244 4.340 0.000 0.000 0.212 653 L C 2.485 179.309 176.870 -0.078 0.000 1.073 653 L CA 2.132 56.928 54.840 -0.073 0.000 0.753 653 L CB -0.427 41.612 42.059 -0.033 0.000 0.890 653 L HN 0.417 nan 8.230 nan 0.000 0.432 654 M N -1.078 118.488 119.600 -0.057 0.000 2.175 654 M HA -0.193 4.287 4.480 0.000 0.000 0.264 654 M C 1.955 178.214 176.300 -0.067 0.000 1.063 654 M CA 1.917 57.192 55.300 -0.041 0.000 1.119 654 M CB -0.539 32.059 32.600 -0.003 0.000 1.377 654 M HN 0.324 nan 8.290 nan 0.000 0.415 655 D N 0.643 120.995 120.400 -0.079 0.000 2.104 655 D HA -0.164 4.476 4.640 0.000 0.000 0.194 655 D C 1.774 178.025 176.300 -0.081 0.000 0.994 655 D CA 1.552 55.506 54.000 -0.077 0.000 0.830 655 D CB 0.129 40.887 40.800 -0.071 0.000 0.959 655 D HN 0.213 nan 8.370 nan 0.000 0.452 656 K N -0.449 119.894 120.400 -0.095 0.000 2.097 656 K HA -0.031 4.289 4.320 0.000 0.000 0.205 656 K C 2.290 178.800 176.600 -0.150 0.000 1.050 656 K CA 0.697 56.919 56.287 -0.108 0.000 0.938 656 K CB -0.074 32.360 32.500 -0.110 0.000 0.718 656 K HN 0.240 nan 8.250 nan 0.000 0.442 657 L N 0.796 121.894 121.223 -0.208 0.000 2.046 657 L HA -0.188 4.152 4.340 0.000 0.000 0.208 657 L C 2.285 179.027 176.870 -0.213 0.000 1.077 657 L CA 1.082 55.707 54.840 -0.357 0.000 0.747 657 L CB -0.492 41.240 42.059 -0.545 0.000 0.896 657 L HN 0.167 nan 8.230 nan 0.000 0.432 658 L N -0.631 120.517 121.223 -0.125 0.000 2.027 658 L HA -0.177 4.163 4.340 0.000 0.000 0.206 658 L C 2.834 179.631 176.870 -0.122 0.000 1.074 658 L CA 1.241 56.021 54.840 -0.100 0.000 0.745 658 L CB -0.477 41.560 42.059 -0.036 0.000 0.898 658 L HN 0.154 nan 8.230 nan 0.000 0.433 659 R N 0.099 120.544 120.500 -0.091 0.000 2.105 659 R HA -0.213 4.127 4.340 0.000 0.000 0.239 659 R C 2.324 178.579 176.300 -0.076 0.000 1.135 659 R CA 1.408 57.465 56.100 -0.072 0.000 0.967 659 R CB -0.290 29.976 30.300 -0.056 0.000 0.861 659 R HN 0.257 nan 8.270 nan 0.000 0.442 660 K N 0.840 121.188 120.400 -0.087 0.000 2.152 660 K HA -0.142 4.178 4.320 0.000 0.000 0.206 660 K C 0.711 177.280 176.600 -0.052 0.000 1.048 660 K CA 1.208 57.458 56.287 -0.061 0.000 0.933 660 K CB 0.256 32.715 32.500 -0.068 0.000 0.721 660 K HN 0.068 nan 8.250 nan 0.000 0.447 661 E N 0.848 120.978 120.200 -0.116 0.000 2.368 661 E HA -0.039 4.311 4.350 0.000 0.000 0.188 661 E C -0.390 176.101 176.600 -0.181 0.000 1.061 661 E CA -0.078 56.210 56.400 -0.186 0.000 0.933 661 E CB -0.230 29.189 29.700 -0.468 0.000 1.091 661 E HN 0.287 nan 8.360 nan 0.000 0.458 662 N N 0.526 119.165 118.700 -0.102 0.000 2.738 662 N HA -0.215 4.525 4.740 0.000 0.000 0.249 662 N C -1.425 174.053 175.510 -0.054 0.000 1.047 662 N CA 0.207 53.222 53.050 -0.057 0.000 0.707 662 N CB -1.033 37.439 38.487 -0.024 0.000 0.937 662 N HN 0.126 nan 8.380 nan 0.000 0.545 663 L N 0.915 122.091 121.223 -0.077 0.000 2.471 663 L HA 0.431 4.771 4.340 0.000 0.000 0.263 663 L C -1.040 175.817 176.870 -0.022 0.000 0.985 663 L CA -0.715 54.105 54.840 -0.033 0.000 0.868 663 L CB 1.377 43.422 42.059 -0.024 0.000 1.203 663 L HN 0.161 nan 8.230 nan 0.000 0.429 664 D N 4.302 124.700 120.400 -0.004 0.000 2.443 664 D HA 0.254 4.894 4.640 0.000 0.000 0.221 664 D C 0.534 176.846 176.300 0.020 0.000 1.097 664 D CA -0.109 53.892 54.000 0.003 0.000 0.865 664 D CB 0.851 41.655 40.800 0.006 0.000 1.034 664 D HN 0.566 nan 8.370 nan 0.000 0.511 665 L N 3.179 124.414 121.223 0.020 0.000 2.612 665 L HA 0.105 4.445 4.340 0.000 0.000 0.230 665 L C 0.568 177.479 176.870 0.069 0.000 1.140 665 L CA -0.212 54.651 54.840 0.039 0.000 0.896 665 L CB -0.326 41.746 42.059 0.022 0.000 1.065 665 L HN 0.306 nan 8.230 nan 0.000 0.447 666 K N 0.457 120.894 120.400 0.063 0.000 3.162 666 K HA -0.155 4.165 4.320 0.000 0.000 0.268 666 K C -0.264 176.421 176.600 0.141 0.000 1.062 666 K CA 0.650 56.993 56.287 0.092 0.000 0.769 666 K CB -2.317 30.249 32.500 0.110 0.000 1.274 666 K HN 0.349 nan 8.250 nan 0.000 0.478 667 L N -0.118 121.165 121.223 0.100 0.000 2.466 667 L HA 0.253 4.594 4.340 0.000 0.000 0.257 667 L C 1.040 178.008 176.870 0.164 0.000 1.189 667 L CA -0.170 54.760 54.840 0.151 0.000 0.813 667 L CB 0.629 42.656 42.059 -0.054 0.000 1.118 667 L HN 0.042 nan 8.230 nan 0.000 0.471 668 T N 1.361 116.082 114.554 0.278 0.000 3.401 668 T HA 0.233 4.584 4.350 0.000 0.000 0.341 668 T C -2.412 172.367 174.700 0.132 0.000 1.674 668 T CA -0.800 61.332 62.100 0.054 0.000 1.600 668 T CB 0.390 69.021 68.868 -0.395 0.000 0.974 668 T HN 0.368 nan 8.240 nan 0.000 0.672 669 P HA 0.140 nan 4.420 nan 0.000 0.244 669 P C -0.247 177.025 177.300 -0.047 0.000 1.769 669 P CA -0.537 62.546 63.100 -0.029 0.000 1.102 669 P CB -0.852 30.820 31.700 -0.047 0.000 1.937 670 Y N 0.465 120.786 120.300 0.035 0.000 2.578 670 Y HA 0.209 4.759 4.550 0.000 0.000 0.339 670 Y C 0.643 176.601 175.900 0.096 0.000 1.231 670 Y CA -1.020 57.099 58.100 0.031 0.000 1.461 670 Y CB 0.141 38.608 38.460 0.011 0.000 1.323 670 Y HN -0.029 nan 8.280 nan 0.000 0.590 671 K N 2.842 123.397 120.400 0.258 0.000 2.326 671 K HA 0.401 4.721 4.320 0.000 0.000 0.275 671 K C -0.979 175.796 176.600 0.291 0.000 1.018 671 K CA -0.460 55.956 56.287 0.215 0.000 0.962 671 K CB 1.499 34.141 32.500 0.236 0.000 0.953 671 K HN 0.650 nan 8.250 nan 0.000 0.475 672 V N 3.877 123.920 119.914 0.215 0.000 2.569 672 V HA 0.346 4.466 4.120 0.000 0.000 0.301 672 V C -1.040 175.194 176.094 0.232 0.000 1.044 672 V CA -0.972 61.477 62.300 0.248 0.000 0.874 672 V CB 1.793 33.736 31.823 0.200 0.000 1.002 672 V HN 0.579 nan 8.190 nan 0.000 0.424 673 L N 4.451 125.830 121.223 0.259 0.000 2.404 673 L HA 0.893 5.233 4.340 0.000 0.000 0.272 673 L C 0.280 177.287 176.870 0.229 0.000 0.980 673 L CA -0.161 54.823 54.840 0.240 0.000 0.836 673 L CB 1.651 43.799 42.059 0.149 0.000 1.238 673 L HN 0.784 nan 8.230 nan 0.000 0.408 674 A N 2.555 125.493 122.820 0.197 0.000 2.451 674 A HA 0.451 4.771 4.320 0.000 0.000 0.266 674 A C 1.028 178.714 177.584 0.171 0.000 1.119 674 A CA 0.419 52.545 52.037 0.149 0.000 0.786 674 A CB -0.045 19.020 19.000 0.108 0.000 1.061 674 A HN 0.891 nan 8.150 nan 0.000 0.503 675 T N -0.601 114.048 114.554 0.157 0.000 3.060 675 T HA 0.367 4.717 4.350 0.000 0.000 0.249 675 T C 0.680 175.499 174.700 0.198 0.000 1.079 675 T CA 0.563 62.800 62.100 0.228 0.000 1.013 675 T CB -0.222 68.850 68.868 0.339 0.000 0.975 675 T HN 1.249 nan 8.240 nan 0.000 0.518 676 S N 0.520 116.135 115.700 -0.141 0.000 2.661 676 S HA 0.379 4.849 4.470 0.000 0.000 0.268 676 S C 0.823 175.317 174.600 -0.177 0.000 1.162 676 S CA 0.140 58.193 58.200 -0.244 0.000 0.817 676 S CB 0.889 63.667 63.200 -0.703 0.000 1.141 676 S HN 0.283 nan 8.310 nan 0.000 0.477 677 T N -0.488 113.992 114.554 -0.123 0.000 3.113 677 T HA 0.281 4.631 4.350 0.000 0.000 0.263 677 T C 0.903 175.540 174.700 -0.105 0.000 1.143 677 T CA 0.744 62.793 62.100 -0.085 0.000 1.090 677 T CB -0.380 68.457 68.868 -0.052 0.000 0.922 677 T HN 0.564 nan 8.240 nan 0.000 0.521 678 K N -0.055 120.247 120.400 -0.163 0.000 2.477 678 K HA 0.225 4.545 4.320 0.000 0.000 0.208 678 K C -0.373 176.183 176.600 -0.075 0.000 1.117 678 K CA -0.277 55.940 56.287 -0.116 0.000 1.039 678 K CB 0.735 33.207 32.500 -0.046 0.000 0.937 678 K HN 0.757 nan 8.250 nan 0.000 0.570 679 H N -2.934 116.117 119.070 -0.032 0.000 2.981 679 H HA 0.757 5.313 4.556 0.000 0.000 0.327 679 H C -0.270 175.003 175.328 -0.091 0.000 1.342 679 H CA -1.000 54.973 56.048 -0.125 0.000 1.123 679 H CB 1.497 31.239 29.762 -0.034 0.000 1.851 679 H HN 0.037 nan 8.280 nan 0.000 0.531 680 G N -0.714 108.031 108.800 -0.090 0.000 2.313 680 G HA2 0.398 4.358 3.960 0.000 0.000 0.296 680 G HA3 0.398 4.358 3.960 0.000 0.000 0.296 680 G C -2.141 172.704 174.900 -0.092 0.000 1.356 680 G CA -1.121 43.996 45.100 0.029 0.000 0.833 680 G HN 0.425 nan 8.290 nan 0.000 0.552 681 F N -0.142 119.959 119.950 0.251 0.000 2.507 681 F HA 0.858 5.385 4.527 0.000 0.000 0.327 681 F C 0.718 176.657 175.800 0.232 0.000 1.068 681 F CA -0.669 57.505 58.000 0.289 0.000 0.965 681 F CB 2.433 41.578 39.000 0.241 0.000 1.192 681 F HN 0.180 nan 8.300 nan 0.000 0.476 682 M N 1.514 121.391 119.600 0.461 0.000 2.386 682 M HA 0.251 4.731 4.480 0.000 0.000 0.293 682 M C -0.801 175.741 176.300 0.403 0.000 1.120 682 M CA -0.748 54.791 55.300 0.398 0.000 0.909 682 M CB 2.515 35.300 32.600 0.308 0.000 1.661 682 M HN 0.579 nan 8.290 nan 0.000 0.452 683 Q N 2.401 122.439 119.800 0.396 0.000 2.271 683 Q HA 0.147 4.487 4.340 0.000 0.000 0.273 683 Q C -1.415 174.703 176.000 0.196 0.000 1.051 683 Q CA 0.138 56.139 55.803 0.330 0.000 0.901 683 Q CB 0.633 29.549 28.738 0.297 0.000 1.174 683 Q HN 0.569 nan 8.270 nan 0.000 0.385 684 F N 6.107 126.079 119.950 0.037 0.000 2.438 684 F HA 0.298 4.825 4.527 0.000 0.000 0.356 684 F C -0.709 175.058 175.800 -0.055 0.000 1.099 684 F CA -0.648 57.344 58.000 -0.014 0.000 1.185 684 F CB 0.528 39.526 39.000 -0.005 0.000 1.115 684 F HN 0.417 nan 8.300 nan 0.000 0.526 685 I N 6.371 126.516 120.570 -0.708 0.000 2.355 685 I HA 0.160 4.331 4.170 0.000 0.000 0.288 685 I C -0.055 175.663 176.117 -0.664 0.000 0.999 685 I CA -0.645 60.353 61.300 -0.504 0.000 1.163 685 I CB 1.197 38.962 38.000 -0.392 0.000 1.316 685 I HN 0.623 nan 8.210 nan 0.000 0.454 686 Q N 5.681 125.285 119.800 -0.328 0.000 2.247 686 Q HA 0.215 4.555 4.340 0.000 0.000 0.288 686 Q C -0.550 175.440 176.000 -0.016 0.000 1.079 686 Q CA 0.498 56.251 55.803 -0.084 0.000 0.932 686 Q CB 0.553 29.361 28.738 0.118 0.000 1.133 686 Q HN 0.883 nan 8.270 nan 0.000 0.377 687 S N 1.445 117.145 115.700 0.001 0.000 2.627 687 S HA 0.563 5.033 4.470 0.000 0.000 0.268 687 S C -1.279 173.315 174.600 -0.009 0.000 1.130 687 S CA -1.021 57.203 58.200 0.039 0.000 0.819 687 S CB 1.153 64.403 63.200 0.084 0.000 1.100 687 S HN 0.355 nan 8.310 nan 0.000 0.465 688 V N 2.007 121.871 119.914 -0.084 0.000 2.588 688 V HA 0.659 4.779 4.120 0.000 0.000 0.304 688 V C -2.501 173.438 176.094 -0.260 0.000 1.042 688 V CA -1.992 60.217 62.300 -0.152 0.000 0.877 688 V CB 1.824 33.526 31.823 -0.202 0.000 0.996 688 V HN 0.860 nan 8.190 nan 0.000 0.425 689 P HA 0.185 nan 4.420 nan 0.000 0.275 689 P C 0.971 178.109 177.300 -0.270 0.000 1.228 689 P CA 0.030 62.976 63.100 -0.257 0.000 0.786 689 P CB 1.428 33.021 31.700 -0.178 0.000 0.927 690 V N 2.569 122.315 119.914 -0.279 0.000 2.392 690 V HA -0.289 3.831 4.120 0.000 0.000 0.249 690 V C 2.588 178.562 176.094 -0.201 0.000 1.059 690 V CA 2.779 64.919 62.300 -0.266 0.000 1.051 690 V CB -1.631 30.057 31.823 -0.225 0.000 0.658 690 V HN 0.670 nan 8.190 nan 0.000 0.455 691 A N -0.377 122.352 122.820 -0.152 0.000 1.908 691 A HA -0.295 4.025 4.320 0.000 0.000 0.218 691 A C 2.308 179.828 177.584 -0.107 0.000 1.181 691 A CA 2.082 54.053 52.037 -0.110 0.000 0.627 691 A CB -0.491 18.460 19.000 -0.082 0.000 0.818 691 A HN 0.643 nan 8.150 nan 0.000 0.445 692 E N -0.278 119.852 120.200 -0.117 0.000 2.150 692 E HA -0.099 4.251 4.350 0.000 0.000 0.193 692 E C 1.798 178.332 176.600 -0.111 0.000 0.985 692 E CA 1.138 57.481 56.400 -0.094 0.000 0.814 692 E CB -0.084 29.568 29.700 -0.081 0.000 0.752 692 E HN 0.330 nan 8.360 nan 0.000 0.466 693 V N 1.008 120.803 119.914 -0.199 0.000 2.343 693 V HA -0.249 3.871 4.120 0.000 0.000 0.247 693 V C 2.286 178.301 176.094 -0.132 0.000 1.051 693 V CA 1.134 63.289 62.300 -0.242 0.000 1.036 693 V CB -0.378 31.156 31.823 -0.481 0.000 0.654 693 V HN 0.307 nan 8.190 nan 0.000 0.451 694 L N 0.033 121.178 121.223 -0.129 0.000 2.093 694 L HA -0.145 4.195 4.340 0.000 0.000 0.208 694 L C 2.141 178.978 176.870 -0.055 0.000 1.085 694 L CA 2.034 56.823 54.840 -0.085 0.000 0.755 694 L CB -1.159 40.849 42.059 -0.086 0.000 0.904 694 L HN 0.395 nan 8.230 nan 0.000 0.435 695 D N -1.244 119.124 120.400 -0.053 0.000 2.117 695 D HA -0.167 4.473 4.640 0.000 0.000 0.197 695 D C 2.097 178.388 176.300 -0.015 0.000 0.987 695 D CA 1.737 55.717 54.000 -0.033 0.000 0.829 695 D CB 0.269 41.049 40.800 -0.033 0.000 0.961 695 D HN 0.423 nan 8.370 nan 0.000 0.460 696 T N -3.262 111.289 114.554 -0.006 0.000 3.031 696 T HA 0.114 4.464 4.350 0.000 0.000 0.254 696 T C 1.513 176.232 174.700 0.032 0.000 1.060 696 T CA 0.311 62.425 62.100 0.022 0.000 1.135 696 T CB 0.183 69.082 68.868 0.052 0.000 0.896 696 T HN -0.067 nan 8.240 nan 0.000 0.472 697 E N 0.281 120.499 120.200 0.030 0.000 2.485 697 E HA 0.326 4.676 4.350 0.000 0.000 0.213 697 E C 1.677 178.281 176.600 0.007 0.000 0.923 697 E CA 0.753 57.176 56.400 0.039 0.000 1.054 697 E CB 0.911 30.676 29.700 0.108 0.000 1.077 697 E HN 0.616 nan 8.360 nan 0.000 0.509 698 G N 1.700 110.492 108.800 -0.012 0.000 2.345 698 G HA2 -0.270 3.691 3.960 0.000 0.000 0.218 698 G HA3 -0.270 3.691 3.960 0.000 0.000 0.218 698 G C 0.448 175.328 174.900 -0.034 0.000 1.058 698 G CA 0.480 45.567 45.100 -0.021 0.000 0.632 698 G HN 0.569 nan 8.290 nan 0.000 0.508 699 S N -1.245 114.431 115.700 -0.040 0.000 2.587 699 S HA 0.682 5.152 4.470 0.000 0.000 0.269 699 S C 0.784 175.320 174.600 -0.107 0.000 1.154 699 S CA -0.079 58.082 58.200 -0.065 0.000 0.824 699 S CB 1.065 64.240 63.200 -0.042 0.000 1.118 699 S HN 0.489 nan 8.310 nan 0.000 0.462 700 I N 1.429 121.888 120.570 -0.184 0.000 2.208 700 I HA -0.216 3.954 4.170 0.000 0.000 0.245 700 I C 2.826 178.722 176.117 -0.368 0.000 1.097 700 I CA 1.428 62.501 61.300 -0.378 0.000 1.363 700 I CB -0.308 37.421 38.000 -0.452 0.000 1.051 700 I HN 0.687 nan 8.210 nan 0.000 0.413 701 Q N 0.341 120.051 119.800 -0.150 0.000 2.084 701 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 701 Q C 2.003 178.015 176.000 0.020 0.000 0.978 701 Q CA 1.383 57.181 55.803 -0.007 0.000 0.844 701 Q CB -0.344 28.408 28.738 0.023 0.000 0.898 701 Q HN 0.547 nan 8.270 nan 0.000 0.426 702 N N 0.644 119.342 118.700 -0.003 0.000 2.120 702 N HA -0.151 4.589 4.740 0.000 0.000 0.188 702 N C 1.473 176.997 175.510 0.022 0.000 1.024 702 N CA 0.889 53.941 53.050 0.004 0.000 0.852 702 N CB -0.588 37.899 38.487 -0.001 0.000 1.003 702 N HN 0.181 nan 8.380 nan 0.000 0.424 703 F N 1.132 121.012 119.950 -0.117 0.000 2.069 703 F HA -0.198 4.329 4.527 0.000 0.000 0.298 703 F C 1.921 177.766 175.800 0.075 0.000 1.113 703 F CA 1.397 59.364 58.000 -0.055 0.000 1.214 703 F CB -0.477 38.426 39.000 -0.162 0.000 0.978 703 F HN -0.126 nan 8.300 nan 0.000 0.474 704 F N 0.735 120.685 119.950 -0.000 0.000 2.171 704 F HA -0.093 4.434 4.527 0.000 0.000 0.300 704 F C 2.698 178.418 175.800 -0.134 0.000 1.090 704 F CA 1.523 59.456 58.000 -0.112 0.000 1.293 704 F CB -1.283 37.693 39.000 -0.041 0.000 1.013 704 F HN -0.014 nan 8.300 nan 0.000 0.486 705 R N 0.362 120.910 120.500 0.079 0.000 2.148 705 R HA -0.131 4.209 4.340 0.000 0.000 0.227 705 R C 2.283 178.517 176.300 -0.109 0.000 1.103 705 R CA 1.073 57.169 56.100 -0.007 0.000 0.983 705 R CB -0.099 30.197 30.300 -0.006 0.000 0.874 705 R HN 0.182 nan 8.270 nan 0.000 0.451 706 K N -0.861 119.401 120.400 -0.230 0.000 2.116 706 K HA -0.110 4.211 4.320 0.000 0.000 0.203 706 K C 0.803 177.062 176.600 -0.567 0.000 1.052 706 K CA 1.155 57.171 56.287 -0.451 0.000 0.952 706 K CB 0.189 32.286 32.500 -0.672 0.000 0.729 706 K HN 0.247 nan 8.250 nan 0.000 0.446 707 Y N -1.275 118.904 120.300 -0.201 0.000 2.444 707 Y HA 0.328 4.878 4.550 0.000 0.000 0.249 707 Y C 0.276 176.105 175.900 -0.118 0.000 1.134 707 Y CA -0.282 57.701 58.100 -0.195 0.000 1.261 707 Y CB 1.433 39.675 38.460 -0.363 0.000 1.143 707 Y HN 0.026 nan 8.280 nan 0.000 0.523 708 A N 0.939 123.766 122.820 0.012 0.000 3.464 708 A HA 0.328 4.648 4.320 0.000 0.000 0.243 708 A C -3.006 174.569 177.584 -0.015 0.000 1.100 708 A CA -1.006 51.032 52.037 0.001 0.000 0.957 708 A CB -0.141 18.851 19.000 -0.013 0.000 1.340 708 A HN -0.133 nan 8.150 nan 0.000 0.645 709 P HA 0.463 nan 4.420 nan 0.000 0.274 709 P C -0.170 177.121 177.300 -0.015 0.000 1.231 709 P CA 0.056 63.143 63.100 -0.022 0.000 0.790 709 P CB 1.667 33.347 31.700 -0.034 0.000 0.951 710 S N 0.448 116.142 115.700 -0.011 0.000 2.584 710 S HA 0.106 4.576 4.470 0.000 0.000 0.282 710 S C 0.426 175.025 174.600 -0.003 0.000 1.138 710 S CA -0.500 57.696 58.200 -0.007 0.000 0.987 710 S CB 0.488 63.684 63.200 -0.008 0.000 1.137 710 S HN 0.388 nan 8.310 nan 0.000 0.457 711 E N 2.442 122.641 120.200 -0.002 0.000 2.418 711 E HA -0.058 4.292 4.350 0.000 0.000 0.197 711 E C 0.891 177.493 176.600 0.003 0.000 1.026 711 E CA 0.486 56.886 56.400 0.000 0.000 0.862 711 E CB 0.103 29.802 29.700 -0.001 0.000 0.799 711 E HN 0.491 nan 8.360 nan 0.000 0.518 712 N N 0.053 118.755 118.700 0.004 0.000 2.387 712 N HA -0.011 4.729 4.740 0.000 0.000 0.176 712 N C 0.891 176.406 175.510 0.009 0.000 1.022 712 N CA 0.482 53.536 53.050 0.006 0.000 0.883 712 N CB -0.111 38.379 38.487 0.006 0.000 1.019 712 N HN 0.014 nan 8.380 nan 0.000 0.435 713 G N 2.121 110.925 108.800 0.006 0.000 2.634 713 G HA2 0.253 4.213 3.960 0.000 0.000 0.255 713 G HA3 0.253 4.213 3.960 0.000 0.000 0.255 713 G C -2.438 172.471 174.900 0.015 0.000 1.205 713 G CA -0.680 44.425 45.100 0.008 0.000 0.884 713 G HN 0.006 nan 8.290 nan 0.000 0.549 714 P HA 0.099 nan 4.420 nan 0.000 0.271 714 P C -0.218 177.102 177.300 0.034 0.000 1.226 714 P CA 0.030 63.150 63.100 0.033 0.000 0.765 714 P CB 0.414 32.142 31.700 0.047 0.000 0.835 715 N N 2.357 121.075 118.700 0.031 0.000 2.741 715 N HA -0.214 4.526 4.740 0.000 0.000 0.251 715 N C 0.897 176.422 175.510 0.024 0.000 1.112 715 N CA 1.064 54.132 53.050 0.030 0.000 0.750 715 N CB -1.656 36.856 38.487 0.041 0.000 1.119 715 N HN 0.853 nan 8.380 nan 0.000 0.561 716 G N -1.378 107.432 108.800 0.017 0.000 2.157 716 G HA2 -0.302 3.658 3.960 0.000 0.000 0.248 716 G HA3 -0.302 3.658 3.960 0.000 0.000 0.248 716 G C 0.097 175.002 174.900 0.009 0.000 0.979 716 G CA 0.403 45.509 45.100 0.009 0.000 0.650 716 G HN 0.452 nan 8.290 nan 0.000 0.529 717 I N 1.182 121.760 120.570 0.014 0.000 2.498 717 I HA 0.507 4.677 4.170 0.000 0.000 0.301 717 I C 1.149 177.251 176.117 -0.025 0.000 0.984 717 I CA -0.632 60.669 61.300 0.000 0.000 1.204 717 I CB 1.837 39.845 38.000 0.013 0.000 1.362 717 I HN 0.151 nan 8.210 nan 0.000 0.471 718 S N 3.874 119.546 115.700 -0.046 0.000 2.544 718 S HA 0.087 4.558 4.470 0.000 0.000 0.290 718 S C 1.282 175.852 174.600 -0.050 0.000 1.276 718 S CA 0.056 58.229 58.200 -0.044 0.000 1.075 718 S CB 0.828 63.998 63.200 -0.050 0.000 0.849 718 S HN 0.738 nan 8.310 nan 0.000 0.494 719 A N 4.218 127.024 122.820 -0.022 0.000 1.940 719 A HA -0.109 4.211 4.320 0.000 0.000 0.219 719 A C 2.086 179.663 177.584 -0.012 0.000 1.176 719 A CA 1.799 53.831 52.037 -0.009 0.000 0.631 719 A CB -0.789 18.214 19.000 0.005 0.000 0.814 719 A HN 1.000 nan 8.150 nan 0.000 0.446 720 E N -0.310 119.879 120.200 -0.017 0.000 2.072 720 E HA -0.105 4.245 4.350 0.000 0.000 0.190 720 E C 1.871 178.453 176.600 -0.030 0.000 0.982 720 E CA 1.237 57.631 56.400 -0.011 0.000 0.803 720 E CB -0.095 29.603 29.700 -0.004 0.000 0.755 720 E HN 0.312 nan 8.360 nan 0.000 0.453 721 V N 1.141 121.005 119.914 -0.083 0.000 2.295 721 V HA -0.285 3.835 4.120 0.000 0.000 0.246 721 V C 2.472 178.437 176.094 -0.214 0.000 1.049 721 V CA 1.934 64.126 62.300 -0.180 0.000 1.024 721 V CB -0.466 31.176 31.823 -0.302 0.000 0.648 721 V HN 0.404 nan 8.190 nan 0.000 0.447 722 M N 0.791 120.290 119.600 -0.168 0.000 2.159 722 M HA -0.155 4.325 4.480 0.000 0.000 0.263 722 M C 1.710 178.061 176.300 0.085 0.000 1.063 722 M CA 2.117 57.385 55.300 -0.053 0.000 1.110 722 M CB -0.814 31.784 32.600 -0.003 0.000 1.374 722 M HN 0.410 nan 8.290 nan 0.000 0.411 723 D N -1.413 119.019 120.400 0.053 0.000 2.178 723 D HA -0.114 4.526 4.640 0.000 0.000 0.202 723 D C 1.521 177.875 176.300 0.091 0.000 0.974 723 D CA 1.664 55.709 54.000 0.075 0.000 0.841 723 D CB -0.012 40.818 40.800 0.050 0.000 0.953 723 D HN 0.407 nan 8.370 nan 0.000 0.478 724 T N -0.905 113.698 114.554 0.081 0.000 2.788 724 T HA -0.163 4.187 4.350 0.000 0.000 0.268 724 T C 1.556 176.362 174.700 0.177 0.000 1.044 724 T CA 1.176 63.341 62.100 0.109 0.000 1.139 724 T CB -0.579 68.342 68.868 0.088 0.000 0.867 724 T HN 0.328 nan 8.240 nan 0.000 0.454 725 Y N 1.521 121.854 120.300 0.056 0.000 2.133 725 Y HA -0.165 4.385 4.550 0.000 0.000 0.287 725 Y C 2.385 178.387 175.900 0.170 0.000 1.134 725 Y CA 0.966 59.149 58.100 0.139 0.000 1.133 725 Y CB -0.450 38.087 38.460 0.128 0.000 0.987 725 Y HN -0.077 nan 8.280 nan 0.000 0.502 726 V N 0.973 120.956 119.914 0.114 0.000 2.332 726 V HA -0.348 3.772 4.120 0.000 0.000 0.248 726 V C 2.228 178.397 176.094 0.125 0.000 1.055 726 V CA 2.391 64.740 62.300 0.082 0.000 1.038 726 V CB -0.573 31.349 31.823 0.164 0.000 0.651 726 V HN 0.383 nan 8.190 nan 0.000 0.450 727 K N 0.483 120.949 120.400 0.110 0.000 2.025 727 K HA -0.144 4.176 4.320 0.000 0.000 0.207 727 K C 2.426 179.103 176.600 0.129 0.000 1.049 727 K CA 1.754 58.103 56.287 0.104 0.000 0.933 727 K CB -0.380 32.170 32.500 0.084 0.000 0.714 727 K HN 0.640 nan 8.250 nan 0.000 0.438 728 S N 0.702 116.494 115.700 0.154 0.000 2.382 728 S HA -0.177 4.293 4.470 0.000 0.000 0.228 728 S C 2.352 177.135 174.600 0.305 0.000 1.027 728 S CA 1.202 59.553 58.200 0.252 0.000 0.991 728 S CB -0.849 62.539 63.200 0.314 0.000 0.823 728 S HN 0.301 nan 8.310 nan 0.000 0.469 729 C N 2.219 121.599 119.300 0.134 0.000 2.413 729 C HA 0.098 4.558 4.460 0.000 0.000 0.276 729 C C 3.371 178.619 174.990 0.432 0.000 1.236 729 C CA 0.729 59.840 59.018 0.155 0.000 1.735 729 C CB -1.738 25.865 27.740 -0.228 0.000 2.031 729 C HN 0.764 nan 8.230 nan 0.000 0.474 730 A N 0.682 123.765 122.820 0.438 0.000 1.877 730 A HA 0.043 4.363 4.320 0.000 0.000 0.216 730 A C 2.403 180.046 177.584 0.097 0.000 1.186 730 A CA 2.202 54.343 52.037 0.174 0.000 0.620 730 A CB -1.374 17.587 19.000 -0.065 0.000 0.822 730 A HN 0.557 nan 8.150 nan 0.000 0.443 731 G N -1.441 107.414 108.800 0.092 0.000 2.491 731 G HA2 -0.272 3.688 3.960 0.000 0.000 0.218 731 G HA3 -0.272 3.688 3.960 0.000 0.000 0.218 731 G C 1.476 176.345 174.900 -0.052 0.000 1.180 731 G CA 1.350 46.444 45.100 -0.010 0.000 0.774 731 G HN 0.538 nan 8.290 nan 0.000 0.562 732 Y N 0.150 120.543 120.300 0.155 0.000 2.242 732 Y HA -0.095 4.455 4.550 0.000 0.000 0.291 732 Y C 3.180 179.125 175.900 0.075 0.000 1.137 732 Y CA 0.708 58.886 58.100 0.130 0.000 1.181 732 Y CB -0.677 37.945 38.460 0.271 0.000 0.989 732 Y HN 0.228 nan 8.280 nan 0.000 0.527 733 C N -1.076 118.388 119.300 0.273 0.000 2.413 733 C HA -0.157 4.303 4.460 0.000 0.000 0.276 733 C C 2.759 177.825 174.990 0.126 0.000 1.248 733 C CA 1.156 60.297 59.018 0.205 0.000 1.742 733 C CB -1.092 26.810 27.740 0.270 0.000 2.017 733 C HN 0.363 nan 8.230 nan 0.000 0.481 734 V N 0.401 120.371 119.914 0.093 0.000 2.488 734 V HA -0.122 3.998 4.120 0.000 0.000 0.246 734 V C 2.093 178.298 176.094 0.185 0.000 1.046 734 V CA 1.678 64.057 62.300 0.132 0.000 1.053 734 V CB -0.458 31.439 31.823 0.124 0.000 0.679 734 V HN 0.517 nan 8.190 nan 0.000 0.458 735 I N 1.114 121.740 120.570 0.093 0.000 2.252 735 I HA -0.204 3.967 4.170 0.000 0.000 0.245 735 I C 2.736 178.875 176.117 0.036 0.000 1.102 735 I CA 1.984 63.310 61.300 0.044 0.000 1.385 735 I CB -0.597 37.375 38.000 -0.046 0.000 1.064 735 I HN 0.499 nan 8.210 nan 0.000 0.414 736 T N -1.513 113.075 114.554 0.057 0.000 2.951 736 T HA -0.243 4.107 4.350 0.000 0.000 0.268 736 T C 1.866 176.598 174.700 0.053 0.000 1.073 736 T CA 0.977 63.102 62.100 0.040 0.000 1.134 736 T CB -0.679 68.159 68.868 -0.049 0.000 0.884 736 T HN 0.455 nan 8.240 nan 0.000 0.479 737 Y N 2.075 122.360 120.300 -0.024 0.000 2.133 737 Y HA 0.082 4.632 4.550 0.000 0.000 0.287 737 Y C 2.027 177.889 175.900 -0.064 0.000 1.134 737 Y CA 0.755 58.830 58.100 -0.041 0.000 1.133 737 Y CB -0.538 37.882 38.460 -0.066 0.000 0.987 737 Y HN 0.184 nan 8.280 nan 0.000 0.502 738 I N 0.322 120.664 120.570 -0.380 0.000 2.163 738 I HA -0.329 3.841 4.170 0.000 0.000 0.243 738 I C 2.066 177.943 176.117 -0.398 0.000 1.085 738 I CA 1.597 62.584 61.300 -0.522 0.000 1.347 738 I CB -0.382 37.448 38.000 -0.284 0.000 1.044 738 I HN 0.279 nan 8.210 nan 0.000 0.408 739 L N 0.391 121.490 121.223 -0.208 0.000 2.599 739 L HA 0.154 4.494 4.340 0.000 0.000 0.230 739 L C 1.429 178.233 176.870 -0.110 0.000 1.141 739 L CA 0.405 55.162 54.840 -0.139 0.000 0.877 739 L CB -0.549 41.485 42.059 -0.042 0.000 1.009 739 L HN 0.499 nan 8.230 nan 0.000 0.447 740 G N 0.868 109.589 108.800 -0.131 0.000 2.249 740 G HA2 -0.257 3.704 3.960 0.000 0.000 0.273 740 G HA3 -0.257 3.704 3.960 0.000 0.000 0.273 740 G C 0.225 175.141 174.900 0.026 0.000 1.036 740 G CA 0.129 45.186 45.100 -0.071 0.000 0.824 740 G HN 0.132 nan 8.290 nan 0.000 0.504 741 V N 0.428 120.383 119.914 0.068 0.000 2.529 741 V HA 0.512 4.632 4.120 0.000 0.000 0.292 741 V C 1.415 177.583 176.094 0.123 0.000 1.028 741 V CA 0.737 63.130 62.300 0.155 0.000 1.074 741 V CB 0.889 32.857 31.823 0.242 0.000 0.958 741 V HN 0.708 nan 8.190 nan 0.000 0.481 742 G N 2.558 111.446 108.800 0.147 0.000 2.705 742 G HA2 0.521 4.481 3.960 0.000 0.000 0.299 742 G HA3 0.521 4.481 3.960 0.000 0.000 0.299 742 G C -0.158 174.741 174.900 -0.002 0.000 1.315 742 G CA -0.363 44.778 45.100 0.068 0.000 1.045 742 G HN 0.756 nan 8.290 nan 0.000 0.517 743 D N -1.467 118.842 120.400 -0.151 0.000 2.828 743 D HA -0.122 4.519 4.640 0.000 0.000 0.241 743 D C 0.195 176.369 176.300 -0.209 0.000 1.142 743 D CA 0.307 54.170 54.000 -0.227 0.000 0.755 743 D CB -0.202 40.370 40.800 -0.380 0.000 1.014 743 D HN 0.201 nan 8.370 nan 0.000 0.420 744 R N 1.597 122.005 120.500 -0.153 0.000 3.752 744 R HA 0.249 4.589 4.340 0.000 0.000 0.291 744 R C 0.266 176.460 176.300 -0.178 0.000 1.433 744 R CA -0.561 55.438 56.100 -0.170 0.000 1.518 744 R CB -0.542 29.755 30.300 -0.005 0.000 1.413 744 R HN 0.577 nan 8.270 nan 0.000 0.676 745 H N -2.237 116.779 119.070 -0.090 0.000 2.509 745 H HA 0.248 4.804 4.556 0.000 0.000 0.360 745 H C 1.040 176.290 175.328 -0.130 0.000 1.398 745 H CA -0.719 55.268 56.048 -0.102 0.000 1.429 745 H CB 0.817 30.519 29.762 -0.099 0.000 1.611 745 H HN 0.090 nan 8.280 nan 0.000 0.606 746 L N -0.566 120.720 121.223 0.105 0.000 2.552 746 L HA -0.019 4.321 4.340 0.000 0.000 0.227 746 L C 0.876 177.729 176.870 -0.029 0.000 1.146 746 L CA 0.644 55.466 54.840 -0.029 0.000 0.858 746 L CB -0.165 41.859 42.059 -0.058 0.000 0.969 746 L HN 0.681 nan 8.230 nan 0.000 0.451 747 D N 0.002 120.505 120.400 0.171 0.000 2.355 747 D HA -0.056 4.584 4.640 0.000 0.000 0.218 747 D C 1.223 177.490 176.300 -0.056 0.000 1.004 747 D CA 0.580 54.623 54.000 0.071 0.000 0.880 747 D CB 0.213 41.080 40.800 0.112 0.000 0.911 747 D HN 0.267 nan 8.370 nan 0.000 0.528 748 N N -0.143 118.424 118.700 -0.221 0.000 2.254 748 N HA 0.073 4.813 4.740 0.000 0.000 0.190 748 N C -0.312 174.923 175.510 -0.459 0.000 1.107 748 N CA 0.019 52.838 53.050 -0.385 0.000 0.869 748 N CB 0.871 39.011 38.487 -0.578 0.000 0.983 748 N HN 0.067 nan 8.380 nan 0.000 0.487 749 L N 1.103 122.049 121.223 -0.461 0.000 2.296 749 L HA 0.431 4.772 4.340 0.000 0.000 0.286 749 L C -0.726 175.814 176.870 -0.549 0.000 1.023 749 L CA -0.435 54.049 54.840 -0.593 0.000 0.812 749 L CB 1.471 43.229 42.059 -0.503 0.000 1.223 749 L HN -0.177 nan 8.230 nan 0.000 0.421 750 L N 3.936 124.695 121.223 -0.772 0.000 2.319 750 L HA 0.682 5.022 4.340 0.000 0.000 0.267 750 L C -0.869 175.628 176.870 -0.623 0.000 1.011 750 L CA -0.542 53.817 54.840 -0.802 0.000 0.818 750 L CB 1.912 43.235 42.059 -1.227 0.000 1.316 750 L HN 0.341 nan 8.230 nan 0.000 0.432 751 L N 0.456 121.477 121.223 -0.337 0.000 2.408 751 L HA 0.754 5.094 4.340 0.000 0.000 0.268 751 L C -0.134 176.812 176.870 0.126 0.000 0.986 751 L CA -0.066 54.741 54.840 -0.056 0.000 0.820 751 L CB 2.239 44.175 42.059 -0.205 0.000 1.303 751 L HN 0.798 nan 8.230 nan 0.000 0.411 752 T N -0.660 114.091 114.554 0.329 0.000 2.952 752 T HA 0.432 4.782 4.350 0.000 0.000 0.286 752 T C 0.746 175.716 174.700 0.450 0.000 1.024 752 T CA -0.692 61.609 62.100 0.335 0.000 1.029 752 T CB 1.327 70.361 68.868 0.276 0.000 1.094 752 T HN 0.612 nan 8.240 nan 0.000 0.515 753 K N 0.268 120.858 120.400 0.316 0.000 2.439 753 K HA -0.008 4.313 4.320 0.000 0.000 0.197 753 K C 1.897 178.594 176.600 0.162 0.000 1.041 753 K CA 1.176 57.589 56.287 0.211 0.000 0.970 753 K CB -0.236 32.258 32.500 -0.010 0.000 0.773 753 K HN 0.855 nan 8.250 nan 0.000 0.479 754 T N -2.763 111.884 114.554 0.155 0.000 3.129 754 T HA 0.171 4.521 4.350 0.000 0.000 0.251 754 T C 1.309 176.058 174.700 0.083 0.000 1.117 754 T CA 0.397 62.552 62.100 0.091 0.000 1.034 754 T CB 0.366 69.283 68.868 0.083 0.000 0.968 754 T HN 0.318 nan 8.240 nan 0.000 0.526 755 G N 1.277 110.187 108.800 0.184 0.000 2.176 755 G HA2 -0.212 3.748 3.960 0.000 0.000 0.232 755 G HA3 -0.212 3.748 3.960 0.000 0.000 0.232 755 G C -0.050 175.083 174.900 0.388 0.000 0.986 755 G CA -0.310 44.885 45.100 0.158 0.000 0.643 755 G HN 0.609 nan 8.290 nan 0.000 0.522 756 K N 0.188 120.802 120.400 0.356 0.000 2.322 756 K HA 0.522 4.842 4.320 0.000 0.000 0.283 756 K C -0.001 176.869 176.600 0.450 0.000 1.042 756 K CA -0.313 56.199 56.287 0.375 0.000 0.958 756 K CB 1.632 34.321 32.500 0.316 0.000 0.984 756 K HN 0.306 nan 8.250 nan 0.000 0.473 757 L N 5.170 126.635 121.223 0.402 0.000 2.307 757 L HA 0.569 4.909 4.340 0.000 0.000 0.284 757 L C -1.146 175.840 176.870 0.194 0.000 1.023 757 L CA -0.616 54.371 54.840 0.245 0.000 0.810 757 L CB 0.417 42.578 42.059 0.171 0.000 1.231 757 L HN 0.613 nan 8.230 nan 0.000 0.423 758 F N 1.520 121.331 119.950 -0.231 0.000 2.662 758 F HA 0.558 5.085 4.527 0.000 0.000 0.312 758 F C -1.205 174.284 175.800 -0.518 0.000 1.113 758 F CA -0.970 56.672 58.000 -0.596 0.000 0.951 758 F CB 1.150 40.025 39.000 -0.210 0.000 1.344 758 F HN 0.338 nan 8.300 nan 0.000 0.462 759 H N 2.216 121.028 119.070 -0.430 0.000 2.463 759 H HA 0.704 5.260 4.556 0.000 0.000 0.332 759 H C -0.434 174.923 175.328 0.048 0.000 1.127 759 H CA -0.379 55.552 56.048 -0.195 0.000 1.238 759 H CB 2.465 32.227 29.762 -0.001 0.000 1.478 759 H HN 0.818 nan 8.280 nan 0.000 0.499 760 I N -1.322 119.141 120.570 -0.178 0.000 3.170 760 I HA 0.380 4.551 4.170 0.000 0.000 0.312 760 I C -0.373 175.354 176.117 -0.650 0.000 1.085 760 I CA -1.006 60.181 61.300 -0.188 0.000 0.999 760 I CB 1.989 39.913 38.000 -0.127 0.000 1.233 760 I HN 0.449 nan 8.210 nan 0.000 0.467 761 D N 1.888 122.042 120.400 -0.410 0.000 4.044 761 D HA -0.210 4.430 4.640 0.000 0.000 0.242 761 D C -1.207 174.892 176.300 -0.335 0.000 1.076 761 D CA 0.716 54.566 54.000 -0.250 0.000 1.171 761 D CB -0.626 40.081 40.800 -0.155 0.000 0.866 761 D HN 0.542 nan 8.370 nan 0.000 0.413 762 F N 0.871 120.898 119.950 0.128 0.000 2.883 762 F HA 0.415 4.942 4.527 0.000 0.000 0.312 762 F C 1.972 177.819 175.800 0.079 0.000 1.246 762 F CA -0.051 58.018 58.000 0.115 0.000 1.238 762 F CB 0.863 39.925 39.000 0.104 0.000 1.195 762 F HN 0.308 nan 8.300 nan 0.000 0.526 763 G N -0.734 108.165 108.800 0.166 0.000 2.572 763 G HA2 -0.133 3.828 3.960 0.000 0.000 0.216 763 G HA3 -0.133 3.828 3.960 0.000 0.000 0.216 763 G C -0.033 174.743 174.900 -0.207 0.000 1.133 763 G CA 0.446 45.542 45.100 -0.006 0.000 0.791 763 G HN 0.350 nan 8.290 nan 0.000 0.538 764 Y N 0.490 120.841 120.300 0.085 0.000 2.376 764 Y HA 0.540 5.090 4.550 0.000 0.000 0.326 764 Y C 0.225 176.181 175.900 0.093 0.000 0.970 764 Y CA -1.291 56.850 58.100 0.069 0.000 1.248 764 Y CB 1.111 39.598 38.460 0.045 0.000 1.117 764 Y HN 0.123 nan 8.280 nan 0.000 0.476 765 I N -0.871 119.798 120.570 0.165 0.000 3.239 765 I HA 0.600 4.770 4.170 0.000 0.000 0.314 765 I C -0.141 176.013 176.117 0.062 0.000 1.126 765 I CA -1.573 59.801 61.300 0.124 0.000 0.973 765 I CB 2.367 40.435 38.000 0.114 0.000 1.252 765 I HN 0.532 nan 8.210 nan 0.000 0.463 766 L N 2.212 123.439 121.223 0.007 0.000 3.717 766 L HA -0.237 4.103 4.340 0.000 0.000 0.414 766 L C 1.018 177.874 176.870 -0.024 0.000 1.228 766 L CA 0.793 55.604 54.840 -0.048 0.000 0.918 766 L CB -2.127 39.899 42.059 -0.055 0.000 1.865 766 L HN 1.325 nan 8.230 nan 0.000 0.922 767 G N -1.471 107.330 108.800 0.002 0.000 2.232 767 G HA2 -0.256 3.704 3.960 0.000 0.000 0.226 767 G HA3 -0.256 3.704 3.960 0.000 0.000 0.226 767 G C 0.443 175.376 174.900 0.056 0.000 0.996 767 G CA 0.204 45.313 45.100 0.015 0.000 0.626 767 G HN 0.375 nan 8.290 nan 0.000 0.509 768 R N 1.116 121.674 120.500 0.096 0.000 2.643 768 R HA 0.490 4.830 4.340 0.000 0.000 0.270 768 R C -0.668 175.764 176.300 0.220 0.000 1.061 768 R CA 0.491 56.692 56.100 0.169 0.000 1.107 768 R CB 0.536 30.961 30.300 0.207 0.000 0.999 768 R HN 0.378 nan 8.270 nan 0.000 0.460 769 D N 1.304 121.810 120.400 0.176 0.000 2.655 769 D HA 0.151 4.792 4.640 0.000 0.000 0.229 769 D C -2.023 174.202 176.300 -0.126 0.000 1.229 769 D CA -1.553 52.415 54.000 -0.054 0.000 0.807 769 D CB 2.357 43.122 40.800 -0.059 0.000 1.514 769 D HN 0.198 nan 8.370 nan 0.000 0.444 770 P HA 0.016 nan 4.420 nan 0.000 0.226 770 P C -0.042 177.207 177.300 -0.085 0.000 1.153 770 P CA 0.738 63.709 63.100 -0.215 0.000 0.777 770 P CB 0.634 32.134 31.700 -0.332 0.000 0.794 771 K N 0.572 120.918 120.400 -0.091 0.000 2.208 771 K HA 0.435 4.755 4.320 0.000 0.000 0.247 771 K C -2.484 174.103 176.600 -0.022 0.000 0.953 771 K CA -2.306 53.954 56.287 -0.045 0.000 0.837 771 K CB 1.225 33.695 32.500 -0.050 0.000 1.131 771 K HN -0.075 nan 8.250 nan 0.000 0.431 772 P HA 0.120 nan 4.420 nan 0.000 0.274 772 P C -0.255 177.045 177.300 -0.000 0.000 1.231 772 P CA -0.282 62.818 63.100 0.001 0.000 0.790 772 P CB 0.461 32.163 31.700 0.003 0.000 0.951 773 L N -1.101 120.126 121.223 0.007 0.000 3.746 773 L HA -0.151 4.189 4.340 0.000 0.000 0.542 773 L C -1.702 175.172 176.870 0.007 0.000 1.268 773 L CA -0.481 54.364 54.840 0.009 0.000 0.818 773 L CB -1.827 40.237 42.059 0.008 0.000 1.472 773 L HN 0.450 nan 8.230 nan 0.000 0.843 774 P HA 0.312 nan 4.420 nan 0.000 0.281 774 P C -2.206 175.106 177.300 0.020 0.000 1.252 774 P CA -1.118 61.986 63.100 0.007 0.000 0.778 774 P CB 0.398 32.102 31.700 0.007 0.000 0.895 775 P HA 0.135 nan 4.420 nan 0.000 0.271 775 P C -1.824 175.509 177.300 0.055 0.000 1.216 775 P CA -1.436 61.684 63.100 0.032 0.000 0.771 775 P CB 0.098 31.811 31.700 0.022 0.000 0.864 776 P HA -0.121 nan 4.420 nan 0.000 0.216 776 P C 0.675 178.095 177.300 0.200 0.000 1.150 776 P CA 1.570 64.751 63.100 0.134 0.000 0.843 776 P CB 0.220 32.027 31.700 0.179 0.000 0.787 777 M N -0.034 119.642 119.600 0.125 0.000 2.227 777 M HA 0.288 4.768 4.480 0.000 0.000 0.335 777 M C -0.872 175.468 176.300 0.068 0.000 1.053 777 M CA -0.523 54.837 55.300 0.099 0.000 0.973 777 M CB 1.591 34.172 32.600 -0.031 0.000 1.623 777 M HN -0.334 nan 8.290 nan 0.000 0.434 778 K N 6.648 127.099 120.400 0.084 0.000 2.339 778 K HA 0.589 4.909 4.320 0.000 0.000 0.264 778 K C -1.338 175.313 176.600 0.086 0.000 0.986 778 K CA -0.444 55.884 56.287 0.068 0.000 0.866 778 K CB 1.559 34.099 32.500 0.067 0.000 1.103 778 K HN 0.701 nan 8.250 nan 0.000 0.441 779 L N 1.890 123.146 121.223 0.055 0.000 2.183 779 L HA 0.485 4.825 4.340 0.000 0.000 0.253 779 L C -0.540 176.324 176.870 -0.010 0.000 1.048 779 L CA -1.045 53.825 54.840 0.051 0.000 0.890 779 L CB 1.782 43.880 42.059 0.064 0.000 1.476 779 L HN 0.732 nan 8.230 nan 0.000 0.455 780 N N -2.392 116.283 118.700 -0.041 0.000 2.708 780 N HA 0.305 5.045 4.740 0.000 0.000 0.257 780 N C -0.586 174.837 175.510 -0.145 0.000 1.373 780 N CA -1.018 51.970 53.050 -0.103 0.000 0.843 780 N CB 1.137 39.575 38.487 -0.081 0.000 1.503 780 N HN 0.311 nan 8.380 nan 0.000 0.504 781 K N -0.054 120.204 120.400 -0.236 0.000 2.020 781 K HA -0.200 4.120 4.320 0.000 0.000 0.212 781 K C 1.106 177.687 176.600 -0.031 0.000 1.050 781 K CA 2.045 58.160 56.287 -0.286 0.000 0.929 781 K CB -0.216 32.123 32.500 -0.269 0.000 0.714 781 K HN 0.737 nan 8.250 nan 0.000 0.443 782 E N 1.167 121.348 120.200 -0.031 0.000 2.268 782 E HA -0.177 4.173 4.350 0.000 0.000 0.195 782 E C 1.920 178.543 176.600 0.038 0.000 0.995 782 E CA 1.066 57.468 56.400 0.002 0.000 0.836 782 E CB -0.370 29.306 29.700 -0.039 0.000 0.763 782 E HN 0.416 nan 8.360 nan 0.000 0.491 783 M N 0.853 120.477 119.600 0.040 0.000 2.067 783 M HA -0.130 4.351 4.480 0.000 0.000 0.260 783 M C 2.452 178.832 176.300 0.132 0.000 1.069 783 M CA 1.351 56.714 55.300 0.104 0.000 1.117 783 M CB -0.216 32.390 32.600 0.009 0.000 1.334 783 M HN -0.036 nan 8.290 nan 0.000 0.407 784 V N 0.421 120.388 119.914 0.088 0.000 2.343 784 V HA -0.248 3.872 4.120 0.000 0.000 0.247 784 V C 2.035 178.221 176.094 0.153 0.000 1.051 784 V CA 1.843 64.220 62.300 0.128 0.000 1.036 784 V CB -0.805 31.145 31.823 0.212 0.000 0.654 784 V HN 0.486 nan 8.190 nan 0.000 0.451 785 E N 0.382 120.678 120.200 0.160 0.000 2.153 785 E HA -0.152 4.199 4.350 0.000 0.000 0.194 785 E C 2.330 178.984 176.600 0.090 0.000 0.988 785 E CA 1.144 57.608 56.400 0.108 0.000 0.811 785 E CB -0.442 29.315 29.700 0.096 0.000 0.746 785 E HN 0.664 nan 8.360 nan 0.000 0.466 786 G N 1.239 110.105 108.800 0.110 0.000 2.450 786 G HA2 -0.250 3.710 3.960 0.000 0.000 0.220 786 G HA3 -0.250 3.710 3.960 0.000 0.000 0.220 786 G C 1.521 176.539 174.900 0.197 0.000 1.130 786 G CA 0.559 45.694 45.100 0.058 0.000 0.760 786 G HN 0.133 nan 8.290 nan 0.000 0.557 787 M N -0.092 119.713 119.600 0.343 0.000 2.476 787 M HA 0.202 4.682 4.480 0.000 0.000 0.262 787 M C 1.889 178.309 176.300 0.199 0.000 1.079 787 M CA 0.997 56.494 55.300 0.329 0.000 1.104 787 M CB 0.321 33.091 32.600 0.283 0.000 1.409 787 M HN 0.383 nan 8.290 nan 0.000 0.467 788 G N 0.329 109.209 108.800 0.134 0.000 2.168 788 G HA2 0.047 4.007 3.960 0.000 0.000 0.197 788 G HA3 0.047 4.007 3.960 0.000 0.000 0.197 788 G C 0.382 175.302 174.900 0.034 0.000 0.997 788 G CA -0.268 44.880 45.100 0.080 0.000 0.658 788 G HN 0.952 nan 8.290 nan 0.000 0.513 789 G N -1.851 106.959 108.800 0.017 0.000 2.663 789 G HA2 0.327 4.287 3.960 0.000 0.000 0.686 789 G HA3 0.327 4.287 3.960 0.000 0.000 0.686 789 G C 0.890 175.696 174.900 -0.157 0.000 1.288 789 G CA 0.808 45.850 45.100 -0.096 0.000 0.836 789 G HN 1.806 nan 8.290 nan 0.000 0.584 790 T N -2.150 112.186 114.554 -0.363 0.000 2.962 790 T HA -0.034 4.316 4.350 0.000 0.000 0.270 790 T C 1.855 176.462 174.700 -0.154 0.000 1.088 790 T CA 2.061 63.825 62.100 -0.560 0.000 1.127 790 T CB -0.036 68.481 68.868 -0.586 0.000 0.883 790 T HN 0.587 nan 8.240 nan 0.000 0.493 791 Q N 1.649 121.393 119.800 -0.093 0.000 2.378 791 Q HA 0.089 4.429 4.340 0.000 0.000 0.205 791 Q C 1.563 177.591 176.000 0.047 0.000 0.954 791 Q CA 0.505 56.301 55.803 -0.012 0.000 0.901 791 Q CB -0.011 28.705 28.738 -0.036 0.000 0.981 791 Q HN 0.770 nan 8.270 nan 0.000 0.483 792 S N 0.673 116.415 115.700 0.071 0.000 2.617 792 S HA 0.014 4.484 4.470 0.000 0.000 0.259 792 S C 1.011 175.703 174.600 0.152 0.000 1.301 792 S CA -0.323 57.939 58.200 0.104 0.000 0.984 792 S CB 0.904 64.171 63.200 0.112 0.000 0.954 792 S HN 0.342 nan 8.310 nan 0.000 0.572 793 E N -0.297 119.979 120.200 0.127 0.000 2.447 793 E HA -0.027 4.323 4.350 0.000 0.000 0.195 793 E C 1.450 178.133 176.600 0.138 0.000 1.028 793 E CA 0.099 56.572 56.400 0.123 0.000 0.876 793 E CB -0.258 29.493 29.700 0.086 0.000 0.885 793 E HN 0.593 nan 8.360 nan 0.000 0.500 794 Q N 0.408 120.304 119.800 0.160 0.000 2.079 794 Q HA -0.153 4.187 4.340 0.000 0.000 0.200 794 Q C 1.631 177.773 176.000 0.237 0.000 0.974 794 Q CA 1.549 57.462 55.803 0.182 0.000 0.840 794 Q CB -0.592 28.263 28.738 0.195 0.000 0.898 794 Q HN 0.466 nan 8.270 nan 0.000 0.430 795 Y N 1.073 121.462 120.300 0.148 0.000 2.181 795 Y HA -0.251 4.299 4.550 0.000 0.000 0.288 795 Y C 1.940 177.982 175.900 0.236 0.000 1.146 795 Y CA 1.545 59.763 58.100 0.198 0.000 1.164 795 Y CB 0.058 38.605 38.460 0.146 0.000 0.982 795 Y HN 0.094 nan 8.280 nan 0.000 0.515 796 Q N 0.094 119.967 119.800 0.122 0.000 2.084 796 Q HA -0.223 4.117 4.340 0.000 0.000 0.202 796 Q C 2.175 178.154 176.000 -0.035 0.000 0.978 796 Q CA 1.824 57.637 55.803 0.017 0.000 0.844 796 Q CB -0.506 28.287 28.738 0.092 0.000 0.898 796 Q HN 0.549 nan 8.270 nan 0.000 0.426 797 E N 0.457 120.669 120.200 0.021 0.000 2.153 797 E HA -0.152 4.198 4.350 0.000 0.000 0.194 797 E C 1.625 178.205 176.600 -0.033 0.000 0.988 797 E CA 0.697 57.094 56.400 -0.004 0.000 0.811 797 E CB -0.337 29.390 29.700 0.044 0.000 0.746 797 E HN 0.314 nan 8.360 nan 0.000 0.466 798 F N 0.919 120.783 119.950 -0.143 0.000 2.146 798 F HA -0.054 4.473 4.527 0.000 0.000 0.298 798 F C 1.954 177.607 175.800 -0.245 0.000 1.096 798 F CA 1.507 59.405 58.000 -0.171 0.000 1.275 798 F CB -0.139 38.779 39.000 -0.138 0.000 1.008 798 F HN -0.099 nan 8.300 nan 0.000 0.480 799 R N 0.599 120.770 120.500 -0.548 0.000 2.083 799 R HA -0.190 4.150 4.340 0.000 0.000 0.237 799 R C 2.357 178.354 176.300 -0.506 0.000 1.137 799 R CA 1.900 57.676 56.100 -0.540 0.000 0.951 799 R CB -0.599 29.526 30.300 -0.293 0.000 0.851 799 R HN 0.304 nan 8.270 nan 0.000 0.434 800 K N 0.675 120.798 120.400 -0.462 0.000 2.032 800 K HA -0.195 4.125 4.320 0.000 0.000 0.209 800 K C 2.129 178.226 176.600 -0.839 0.000 1.048 800 K CA 1.481 57.305 56.287 -0.772 0.000 0.927 800 K CB 0.127 32.428 32.500 -0.332 0.000 0.712 800 K HN 0.102 nan 8.250 nan 0.000 0.441 801 Q N 0.205 119.721 119.800 -0.472 0.000 2.172 801 Q HA -0.143 4.197 4.340 0.000 0.000 0.200 801 Q C 2.347 178.151 176.000 -0.327 0.000 0.964 801 Q CA 1.039 56.652 55.803 -0.316 0.000 0.855 801 Q CB -0.560 28.083 28.738 -0.159 0.000 0.918 801 Q HN 0.457 nan 8.270 nan 0.000 0.444 802 C N 1.039 120.060 119.300 -0.466 0.000 2.442 802 C HA -0.198 4.263 4.460 0.000 0.000 0.279 802 C C 2.847 177.748 174.990 -0.149 0.000 1.237 802 C CA 1.283 60.081 59.018 -0.366 0.000 1.722 802 C CB -1.193 26.202 27.740 -0.574 0.000 2.056 802 C HN 0.677 nan 8.230 nan 0.000 0.469 803 Y N 0.505 120.739 120.300 -0.111 0.000 2.439 803 Y HA 0.056 4.606 4.550 0.000 0.000 0.292 803 Y C 2.169 178.098 175.900 0.049 0.000 1.130 803 Y CA 1.532 59.648 58.100 0.027 0.000 1.254 803 Y CB -1.761 36.700 38.460 0.001 0.000 1.000 803 Y HN 0.179 nan 8.280 nan 0.000 0.554 804 T N 0.886 115.340 114.554 -0.166 0.000 2.777 804 T HA -0.105 4.245 4.350 0.000 0.000 0.266 804 T C 2.259 176.924 174.700 -0.059 0.000 1.040 804 T CA 1.634 63.658 62.100 -0.126 0.000 1.141 804 T CB -0.626 68.133 68.868 -0.181 0.000 0.868 804 T HN 0.568 nan 8.240 nan 0.000 0.444 805 A N 1.048 123.902 122.820 0.057 0.000 1.930 805 A HA 0.011 4.331 4.320 0.000 0.000 0.217 805 A C 1.985 179.719 177.584 0.251 0.000 1.175 805 A CA 1.086 53.229 52.037 0.177 0.000 0.627 805 A CB -0.906 18.165 19.000 0.118 0.000 0.815 805 A HN 0.441 nan 8.150 nan 0.000 0.443 806 F N 0.653 120.657 119.950 0.090 0.000 2.134 806 F HA -0.123 4.404 4.527 0.000 0.000 0.299 806 F C 1.898 177.797 175.800 0.166 0.000 1.097 806 F CA 1.347 59.443 58.000 0.159 0.000 1.264 806 F CB -0.368 38.721 39.000 0.147 0.000 1.001 806 F HN 0.138 nan 8.300 nan 0.000 0.479 807 L N -0.841 120.385 121.223 0.004 0.000 2.027 807 L HA -0.259 4.081 4.340 0.000 0.000 0.206 807 L C 2.516 179.337 176.870 -0.082 0.000 1.074 807 L CA 1.799 56.556 54.840 -0.138 0.000 0.745 807 L CB -1.019 40.966 42.059 -0.123 0.000 0.898 807 L HN 0.197 nan 8.230 nan 0.000 0.433 808 H N -0.512 118.595 119.070 0.062 0.000 2.352 808 H HA -0.167 4.389 4.556 0.000 0.000 0.299 808 H C 2.315 177.740 175.328 0.162 0.000 1.097 808 H CA 1.173 57.283 56.048 0.103 0.000 1.311 808 H CB 0.090 29.926 29.762 0.123 0.000 1.377 808 H HN 0.232 nan 8.280 nan 0.000 0.504 809 L N -0.046 121.345 121.223 0.280 0.000 2.240 809 L HA -0.078 4.262 4.340 0.000 0.000 0.211 809 L C 2.389 179.348 176.870 0.147 0.000 1.106 809 L CA 0.648 55.667 54.840 0.300 0.000 0.793 809 L CB -0.175 42.111 42.059 0.377 0.000 0.927 809 L HN 0.200 nan 8.230 nan 0.000 0.446 810 R N 0.017 120.508 120.500 -0.015 0.000 2.105 810 R HA -0.141 4.199 4.340 0.000 0.000 0.239 810 R C 2.359 178.489 176.300 -0.284 0.000 1.135 810 R CA 1.240 57.191 56.100 -0.248 0.000 0.967 810 R CB -0.190 29.933 30.300 -0.295 0.000 0.861 810 R HN 0.340 nan 8.270 nan 0.000 0.442 811 R N -0.757 119.634 120.500 -0.183 0.000 2.148 811 R HA -0.119 4.221 4.340 0.000 0.000 0.227 811 R C 0.877 176.926 176.300 -0.418 0.000 1.103 811 R CA 1.095 57.021 56.100 -0.291 0.000 0.983 811 R CB -0.019 30.099 30.300 -0.304 0.000 0.874 811 R HN 0.315 nan 8.270 nan 0.000 0.451 812 Y N 0.396 120.619 120.300 -0.129 0.000 2.532 812 Y HA 0.044 4.594 4.550 0.000 0.000 0.283 812 Y C 2.061 177.829 175.900 -0.220 0.000 1.181 812 Y CA -0.017 58.014 58.100 -0.116 0.000 1.256 812 Y CB 0.125 38.565 38.460 -0.033 0.000 1.112 812 Y HN 0.078 nan 8.280 nan 0.000 0.521 813 S N -0.698 114.789 115.700 -0.356 0.000 2.400 813 S HA -0.235 4.235 4.470 0.000 0.000 0.232 813 S C 1.787 176.239 174.600 -0.247 0.000 1.025 813 S CA 1.581 59.396 58.200 -0.642 0.000 0.993 813 S CB -0.245 62.377 63.200 -0.962 0.000 0.808 813 S HN 0.422 nan 8.310 nan 0.000 0.478 814 N N 1.968 120.580 118.700 -0.148 0.000 2.025 814 N HA -0.024 4.716 4.740 0.000 0.000 0.194 814 N C 1.674 177.169 175.510 -0.026 0.000 1.044 814 N CA 1.434 54.444 53.050 -0.066 0.000 0.851 814 N CB -0.914 37.538 38.487 -0.058 0.000 1.036 814 N HN 0.441 nan 8.380 nan 0.000 0.422 815 L N 0.972 122.194 121.223 -0.002 0.000 2.017 815 L HA -0.009 4.331 4.340 0.000 0.000 0.208 815 L C 1.931 178.809 176.870 0.013 0.000 1.073 815 L CA 1.383 56.215 54.840 -0.014 0.000 0.745 815 L CB -0.494 41.591 42.059 0.043 0.000 0.894 815 L HN 0.154 nan 8.230 nan 0.000 0.432 816 I N -0.981 119.640 120.570 0.085 0.000 2.179 816 I HA -0.310 3.860 4.170 0.000 0.000 0.242 816 I C 2.326 178.614 176.117 0.285 0.000 1.088 816 I CA 1.369 62.787 61.300 0.196 0.000 1.357 816 I CB -0.301 37.888 38.000 0.314 0.000 1.051 816 I HN 0.268 nan 8.210 nan 0.000 0.409 817 L N 0.144 121.498 121.223 0.218 0.000 2.109 817 L HA -0.155 4.185 4.340 0.000 0.000 0.207 817 L C 2.224 179.190 176.870 0.159 0.000 1.086 817 L CA 0.943 55.919 54.840 0.227 0.000 0.760 817 L CB -0.744 41.398 42.059 0.137 0.000 0.910 817 L HN 0.283 nan 8.230 nan 0.000 0.437 818 N N 0.437 119.181 118.700 0.074 0.000 2.120 818 N HA -0.143 4.598 4.740 0.000 0.000 0.188 818 N C 1.952 177.478 175.510 0.026 0.000 1.024 818 N CA 1.219 54.288 53.050 0.031 0.000 0.852 818 N CB -0.325 38.148 38.487 -0.024 0.000 1.003 818 N HN 0.246 nan 8.380 nan 0.000 0.424 819 L N -0.767 120.456 121.223 -0.000 0.000 2.017 819 L HA -0.132 4.208 4.340 0.000 0.000 0.208 819 L C 1.960 178.790 176.870 -0.067 0.000 1.073 819 L CA 1.019 55.821 54.840 -0.063 0.000 0.745 819 L CB -0.455 41.535 42.059 -0.116 0.000 0.894 819 L HN 0.045 nan 8.230 nan 0.000 0.432 820 F N -0.051 119.916 119.950 0.027 0.000 2.171 820 F HA -0.219 4.308 4.527 0.000 0.000 0.300 820 F C 2.781 178.601 175.800 0.034 0.000 1.090 820 F CA 1.468 59.486 58.000 0.030 0.000 1.293 820 F CB -0.574 38.447 39.000 0.035 0.000 1.013 820 F HN -0.045 nan 8.300 nan 0.000 0.486 821 S N 0.134 115.952 115.700 0.196 0.000 2.402 821 S HA -0.185 4.285 4.470 0.000 0.000 0.233 821 S C 1.991 176.665 174.600 0.124 0.000 1.030 821 S CA 1.042 59.313 58.200 0.120 0.000 1.003 821 S CB -0.483 62.758 63.200 0.068 0.000 0.813 821 S HN 0.297 nan 8.310 nan 0.000 0.477 822 L N 0.363 121.658 121.223 0.121 0.000 2.554 822 L HA 0.128 4.468 4.340 0.000 0.000 0.226 822 L C 1.538 178.499 176.870 0.153 0.000 1.137 822 L CA 0.388 55.333 54.840 0.175 0.000 0.863 822 L CB -0.241 41.888 42.059 0.117 0.000 0.985 822 L HN 0.332 nan 8.230 nan 0.000 0.451 823 M N -0.942 118.721 119.600 0.105 0.000 2.371 823 M HA 0.041 4.521 4.480 0.000 0.000 0.246 823 M C 2.218 178.589 176.300 0.119 0.000 1.103 823 M CA 0.506 55.850 55.300 0.073 0.000 1.010 823 M CB -0.285 32.320 32.600 0.009 0.000 1.457 823 M HN 0.163 nan 8.290 nan 0.000 0.486 824 V N -1.246 118.761 119.914 0.156 0.000 2.469 824 V HA -0.175 3.945 4.120 0.000 0.000 0.251 824 V C 0.993 177.163 176.094 0.126 0.000 1.064 824 V CA 1.839 64.220 62.300 0.135 0.000 1.066 824 V CB -0.726 31.167 31.823 0.117 0.000 0.667 824 V HN 0.294 nan 8.190 nan 0.000 0.461 825 D N 1.048 121.545 120.400 0.162 0.000 2.427 825 D HA 0.500 5.141 4.640 0.000 0.000 0.224 825 D C 0.743 177.095 176.300 0.087 0.000 1.157 825 D CA 0.716 54.798 54.000 0.137 0.000 0.828 825 D CB 0.808 41.728 40.800 0.200 0.000 0.974 825 D HN 0.670 nan 8.370 nan 0.000 0.498 826 A N 0.512 123.372 122.820 0.067 0.000 2.279 826 A HA 0.265 4.585 4.320 0.000 0.000 0.303 826 A C 0.575 178.173 177.584 0.022 0.000 1.108 826 A CA -0.519 51.537 52.037 0.031 0.000 0.830 826 A CB 0.599 19.604 19.000 0.008 0.000 1.106 826 A HN 0.026 nan 8.150 nan 0.000 0.493 827 N N 1.264 119.966 118.700 0.004 0.000 3.178 827 N HA 0.160 4.900 4.740 0.000 0.000 0.300 827 N C -0.993 174.512 175.510 -0.007 0.000 1.242 827 N CA 0.092 53.141 53.050 -0.002 0.000 1.192 827 N CB -0.074 38.406 38.487 -0.012 0.000 1.463 827 N HN 0.358 nan 8.380 nan 0.000 0.539 828 I N 1.802 122.374 120.570 0.003 0.000 2.382 828 I HA 0.255 4.426 4.170 0.000 0.000 0.285 828 I C -1.605 174.514 176.117 0.003 0.000 1.007 828 I CA -2.418 58.884 61.300 0.003 0.000 1.142 828 I CB 1.300 39.310 38.000 0.017 0.000 1.289 828 I HN -0.046 nan 8.210 nan 0.000 0.453 829 P HA -0.190 nan 4.420 nan 0.000 0.217 829 P C 0.711 178.000 177.300 -0.019 0.000 1.158 829 P CA 1.625 64.710 63.100 -0.025 0.000 0.887 829 P CB 0.428 32.095 31.700 -0.054 0.000 0.792 830 D N -1.976 118.415 120.400 -0.014 0.000 2.347 830 D HA 0.028 4.668 4.640 0.000 0.000 0.213 830 D C 1.860 178.170 176.300 0.017 0.000 0.985 830 D CA 0.542 54.540 54.000 -0.005 0.000 0.879 830 D CB -0.340 40.459 40.800 -0.002 0.000 0.919 830 D HN 0.242 nan 8.370 nan 0.000 0.526 831 I N 0.310 120.899 120.570 0.032 0.000 2.731 831 I HA -0.019 4.151 4.170 0.000 0.000 0.260 831 I C 2.172 178.310 176.117 0.036 0.000 1.138 831 I CA 0.363 61.691 61.300 0.047 0.000 1.461 831 I CB 0.012 38.059 38.000 0.078 0.000 1.128 831 I HN -0.103 nan 8.210 nan 0.000 0.438 832 A N 0.936 123.772 122.820 0.027 0.000 2.119 832 A HA -0.036 4.284 4.320 0.000 0.000 0.217 832 A C 2.237 179.831 177.584 0.016 0.000 1.153 832 A CA 0.866 52.917 52.037 0.024 0.000 0.692 832 A CB -0.558 18.453 19.000 0.018 0.000 0.799 832 A HN 0.344 nan 8.150 nan 0.000 0.458 833 L N -1.026 120.203 121.223 0.011 0.000 2.017 833 L HA -0.085 4.256 4.340 0.000 0.000 0.208 833 L C 0.615 177.491 176.870 0.010 0.000 1.073 833 L CA 1.157 56.002 54.840 0.008 0.000 0.745 833 L CB -0.224 41.838 42.059 0.005 0.000 0.894 833 L HN 0.376 nan 8.230 nan 0.000 0.432 834 E N -1.358 118.848 120.200 0.011 0.000 2.914 834 E HA 0.151 4.501 4.350 0.000 0.000 0.246 834 E C -1.981 174.627 176.600 0.013 0.000 1.146 834 E CA -1.312 55.093 56.400 0.008 0.000 0.803 834 E CB 1.471 31.172 29.700 0.002 0.000 1.409 834 E HN 0.034 nan 8.360 nan 0.000 0.392 835 P HA -0.181 nan 4.420 nan 0.000 0.217 835 P C 1.085 178.399 177.300 0.024 0.000 1.150 835 P CA 1.063 64.183 63.100 0.034 0.000 0.832 835 P CB 0.220 31.946 31.700 0.043 0.000 0.787 836 D N 0.049 120.456 120.400 0.011 0.000 2.218 836 D HA -0.172 4.468 4.640 0.000 0.000 0.204 836 D C 1.422 177.716 176.300 -0.010 0.000 0.976 836 D CA 1.281 55.281 54.000 -0.001 0.000 0.853 836 D CB -0.667 40.129 40.800 -0.006 0.000 0.939 836 D HN 0.199 nan 8.370 nan 0.000 0.481 837 K N -0.245 120.149 120.400 -0.010 0.000 2.379 837 K HA 0.080 4.401 4.320 0.000 0.000 0.194 837 K C 1.863 178.443 176.600 -0.033 0.000 1.031 837 K CA 0.275 56.549 56.287 -0.022 0.000 1.037 837 K CB 0.325 32.812 32.500 -0.021 0.000 0.824 837 K HN 0.092 nan 8.250 nan 0.000 0.516 838 T N 1.308 115.849 114.554 -0.021 0.000 2.652 838 T HA -0.132 4.218 4.350 0.000 0.000 0.267 838 T C 2.002 176.647 174.700 -0.092 0.000 1.039 838 T CA 1.361 63.437 62.100 -0.040 0.000 1.153 838 T CB -0.209 68.671 68.868 0.020 0.000 0.863 838 T HN -0.074 nan 8.240 nan 0.000 0.428 839 V N 1.572 121.461 119.914 -0.042 0.000 2.332 839 V HA -0.189 3.932 4.120 0.000 0.000 0.248 839 V C 2.488 178.537 176.094 -0.076 0.000 1.055 839 V CA 1.748 64.020 62.300 -0.048 0.000 1.038 839 V CB -0.567 31.268 31.823 0.020 0.000 0.651 839 V HN 0.440 nan 8.190 nan 0.000 0.450 840 K N 0.133 120.497 120.400 -0.060 0.000 2.147 840 K HA -0.210 4.110 4.320 0.000 0.000 0.205 840 K C 2.180 178.728 176.600 -0.086 0.000 1.049 840 K CA 1.432 57.685 56.287 -0.057 0.000 0.936 840 K CB -0.089 32.383 32.500 -0.047 0.000 0.722 840 K HN 0.417 nan 8.250 nan 0.000 0.446 841 K N -0.103 120.227 120.400 -0.116 0.000 2.097 841 K HA -0.105 4.215 4.320 0.000 0.000 0.206 841 K C 1.875 178.342 176.600 -0.223 0.000 1.049 841 K CA 1.378 57.577 56.287 -0.146 0.000 0.933 841 K CB 0.102 32.518 32.500 -0.141 0.000 0.717 841 K HN -0.007 nan 8.250 nan 0.000 0.442 842 V N 1.002 120.742 119.914 -0.290 0.000 2.407 842 V HA -0.195 3.926 4.120 0.000 0.000 0.245 842 V C 2.401 178.350 176.094 -0.241 0.000 1.041 842 V CA 1.421 63.492 62.300 -0.382 0.000 1.040 842 V CB -0.376 31.102 31.823 -0.575 0.000 0.671 842 V HN 0.346 nan 8.190 nan 0.000 0.455 843 Q N 0.115 119.887 119.800 -0.046 0.000 2.061 843 Q HA -0.280 4.060 4.340 0.000 0.000 0.204 843 Q C 2.001 178.053 176.000 0.086 0.000 0.984 843 Q CA 2.162 58.050 55.803 0.141 0.000 0.846 843 Q CB -0.170 28.619 28.738 0.085 0.000 0.902 843 Q HN 0.582 nan 8.270 nan 0.000 0.421 844 D N 0.262 120.653 120.400 -0.014 0.000 2.172 844 D HA -0.187 4.453 4.640 0.000 0.000 0.196 844 D C 1.750 178.043 176.300 -0.013 0.000 0.999 844 D CA 1.086 55.077 54.000 -0.015 0.000 0.856 844 D CB -0.041 40.735 40.800 -0.041 0.000 0.934 844 D HN 0.206 nan 8.370 nan 0.000 0.453 845 K N 0.067 120.388 120.400 -0.132 0.000 2.147 845 K HA -0.089 4.231 4.320 0.000 0.000 0.205 845 K C 2.044 178.728 176.600 0.139 0.000 1.049 845 K CA 0.433 56.613 56.287 -0.179 0.000 0.936 845 K CB -0.594 31.521 32.500 -0.643 0.000 0.722 845 K HN 0.257 nan 8.250 nan 0.000 0.446 846 F N 1.456 121.522 119.950 0.193 0.000 2.451 846 F HA -0.013 4.514 4.527 0.000 0.000 0.299 846 F C 0.488 176.381 175.800 0.155 0.000 1.101 846 F CA 0.386 58.505 58.000 0.198 0.000 1.436 846 F CB -0.199 38.825 39.000 0.041 0.000 1.074 846 F HN -0.064 nan 8.300 nan 0.000 0.553 847 R N 0.650 121.299 120.500 0.249 0.000 3.188 847 R HA -0.204 4.136 4.340 0.000 0.000 0.247 847 R C 0.705 177.043 176.300 0.063 0.000 0.918 847 R CA 0.215 56.358 56.100 0.071 0.000 0.629 847 R CB -2.409 27.840 30.300 -0.084 0.000 1.087 847 R HN 0.393 nan 8.270 nan 0.000 0.462 848 L N 0.236 121.504 121.223 0.076 0.000 2.465 848 L HA -0.120 4.220 4.340 0.000 0.000 0.224 848 L C 2.118 179.002 176.870 0.022 0.000 1.145 848 L CA 1.317 56.179 54.840 0.036 0.000 0.834 848 L CB -0.280 41.803 42.059 0.041 0.000 0.944 848 L HN 0.330 nan 8.230 nan 0.000 0.451 849 D N 0.511 120.922 120.400 0.018 0.000 2.310 849 D HA -0.098 4.542 4.640 0.000 0.000 0.212 849 D C 0.823 177.120 176.300 -0.005 0.000 0.965 849 D CA 0.558 54.564 54.000 0.010 0.000 0.879 849 D CB 0.063 40.864 40.800 0.001 0.000 0.921 849 D HN 0.291 nan 8.370 nan 0.000 0.510 850 L N 1.095 122.312 121.223 -0.011 0.000 2.344 850 L HA 0.239 4.579 4.340 0.000 0.000 0.272 850 L C 1.054 177.918 176.870 -0.010 0.000 1.035 850 L CA -0.940 53.894 54.840 -0.010 0.000 0.807 850 L CB 1.780 43.839 42.059 0.001 0.000 1.237 850 L HN -0.039 nan 8.230 nan 0.000 0.442 851 S N -0.751 114.942 115.700 -0.012 0.000 2.640 851 S HA 0.123 4.593 4.470 0.000 0.000 0.262 851 S C 0.530 175.124 174.600 -0.009 0.000 1.232 851 S CA -0.634 57.555 58.200 -0.018 0.000 0.988 851 S CB 0.879 64.067 63.200 -0.020 0.000 1.034 851 S HN 0.601 nan 8.310 nan 0.000 0.569 852 D N 0.551 120.939 120.400 -0.019 0.000 2.084 852 D HA -0.121 4.519 4.640 0.000 0.000 0.194 852 D C 1.838 178.146 176.300 0.012 0.000 0.990 852 D CA 1.542 55.533 54.000 -0.015 0.000 0.826 852 D CB -0.493 40.291 40.800 -0.026 0.000 0.971 852 D HN 0.808 nan 8.370 nan 0.000 0.453 853 E N 0.798 120.999 120.200 0.003 0.000 2.058 853 E HA -0.211 4.139 4.350 0.000 0.000 0.194 853 E C 1.770 178.394 176.600 0.040 0.000 0.997 853 E CA 1.051 57.454 56.400 0.005 0.000 0.801 853 E CB 0.085 29.783 29.700 -0.005 0.000 0.746 853 E HN 0.312 nan 8.360 nan 0.000 0.450 854 E N -0.232 119.990 120.200 0.036 0.000 2.204 854 E HA -0.177 4.173 4.350 0.000 0.000 0.195 854 E C 1.868 178.567 176.600 0.165 0.000 0.990 854 E CA 0.807 57.240 56.400 0.055 0.000 0.821 854 E CB -0.051 29.651 29.700 0.003 0.000 0.750 854 E HN 0.324 nan 8.360 nan 0.000 0.477 855 A N 0.656 123.578 122.820 0.170 0.000 1.930 855 A HA -0.073 4.247 4.320 0.000 0.000 0.215 855 A C 2.441 180.262 177.584 0.396 0.000 1.176 855 A CA 0.647 52.884 52.037 0.334 0.000 0.632 855 A CB -0.360 18.767 19.000 0.210 0.000 0.819 855 A HN 0.097 nan 8.150 nan 0.000 0.445 856 V N 0.093 120.119 119.914 0.187 0.000 2.343 856 V HA -0.290 3.830 4.120 0.000 0.000 0.247 856 V C 2.563 178.632 176.094 -0.042 0.000 1.051 856 V CA 2.229 64.525 62.300 -0.007 0.000 1.036 856 V CB -1.034 30.631 31.823 -0.263 0.000 0.654 856 V HN 0.785 nan 8.190 nan 0.000 0.451 857 H N -0.635 118.408 119.070 -0.045 0.000 2.319 857 H HA -0.263 4.293 4.556 0.000 0.000 0.299 857 H C 2.326 177.667 175.328 0.023 0.000 1.092 857 H CA 2.684 58.715 56.048 -0.029 0.000 1.302 857 H CB -0.361 29.404 29.762 0.006 0.000 1.373 857 H HN 0.547 nan 8.280 nan 0.000 0.497 858 Y N 0.537 120.966 120.300 0.214 0.000 2.145 858 Y HA -0.229 4.321 4.550 0.000 0.000 0.286 858 Y C 2.732 178.592 175.900 -0.065 0.000 1.145 858 Y CA 2.202 60.376 58.100 0.123 0.000 1.148 858 Y CB -0.450 38.093 38.460 0.139 0.000 0.981 858 Y HN 0.206 nan 8.280 nan 0.000 0.507 859 M N 0.691 120.173 119.600 -0.197 0.000 2.132 859 M HA -0.167 4.313 4.480 0.000 0.000 0.263 859 M C 2.323 178.434 176.300 -0.314 0.000 1.065 859 M CA 1.811 56.845 55.300 -0.442 0.000 1.122 859 M CB -0.889 31.552 32.600 -0.265 0.000 1.365 859 M HN 0.468 nan 8.290 nan 0.000 0.411 860 Q N -0.223 119.461 119.800 -0.193 0.000 2.077 860 Q HA -0.199 4.141 4.340 0.000 0.000 0.206 860 Q C 1.872 177.748 176.000 -0.207 0.000 0.989 860 Q CA 2.853 58.550 55.803 -0.177 0.000 0.853 860 Q CB -0.395 28.203 28.738 -0.233 0.000 0.907 860 Q HN 0.741 nan 8.270 nan 0.000 0.418 861 S N 0.015 115.553 115.700 -0.270 0.000 2.406 861 S HA -0.059 4.411 4.470 0.000 0.000 0.228 861 S C 2.187 176.656 174.600 -0.219 0.000 1.020 861 S CA 0.622 58.687 58.200 -0.225 0.000 0.965 861 S CB -0.513 62.570 63.200 -0.195 0.000 0.798 861 S HN 0.409 nan 8.310 nan 0.000 0.488 862 L N 0.650 121.652 121.223 -0.368 0.000 2.046 862 L HA -0.032 4.308 4.340 0.000 0.000 0.208 862 L C 2.497 179.239 176.870 -0.212 0.000 1.077 862 L CA 1.440 56.052 54.840 -0.381 0.000 0.747 862 L CB -0.437 41.214 42.059 -0.680 0.000 0.896 862 L HN 0.356 nan 8.230 nan 0.000 0.432 863 I N -0.540 119.923 120.570 -0.179 0.000 2.202 863 I HA -0.277 3.894 4.170 0.000 0.000 0.242 863 I C 2.019 178.190 176.117 0.090 0.000 1.091 863 I CA 1.075 62.360 61.300 -0.026 0.000 1.368 863 I CB -0.366 37.617 38.000 -0.030 0.000 1.058 863 I HN 0.219 nan 8.210 nan 0.000 0.410 864 D N 0.567 121.003 120.400 0.061 0.000 2.144 864 D HA -0.221 4.420 4.640 0.000 0.000 0.199 864 D C 1.997 178.360 176.300 0.105 0.000 0.984 864 D CA 1.134 55.205 54.000 0.118 0.000 0.834 864 D CB -0.197 40.638 40.800 0.057 0.000 0.955 864 D HN 0.431 nan 8.370 nan 0.000 0.465 865 E N 0.369 120.591 120.200 0.036 0.000 2.047 865 E HA -0.112 4.238 4.350 0.000 0.000 0.191 865 E C 1.942 178.592 176.600 0.083 0.000 0.987 865 E CA 0.879 57.305 56.400 0.043 0.000 0.799 865 E CB 0.146 29.839 29.700 -0.010 0.000 0.752 865 E HN -0.020 nan 8.360 nan 0.000 0.449 866 S N 0.003 115.733 115.700 0.051 0.000 2.368 866 S HA -0.133 4.337 4.470 0.000 0.000 0.225 866 S C 2.017 176.658 174.600 0.068 0.000 1.030 866 S CA 1.127 59.355 58.200 0.046 0.000 0.999 866 S CB -0.124 63.093 63.200 0.028 0.000 0.844 866 S HN 0.162 nan 8.310 nan 0.000 0.459 867 V N 0.958 120.951 119.914 0.132 0.000 2.407 867 V HA -0.208 3.912 4.120 0.000 0.000 0.248 867 V C 2.146 178.358 176.094 0.198 0.000 1.055 867 V CA 2.224 64.624 62.300 0.167 0.000 1.049 867 V CB -0.742 31.246 31.823 0.275 0.000 0.662 867 V HN 0.553 nan 8.190 nan 0.000 0.455 868 H N 0.494 119.637 119.070 0.121 0.000 2.326 868 H HA -0.069 4.487 4.556 0.000 0.000 0.301 868 H C 2.188 177.562 175.328 0.076 0.000 1.081 868 H CA 1.782 57.902 56.048 0.121 0.000 1.334 868 H CB -0.191 29.616 29.762 0.075 0.000 1.385 868 H HN 0.352 nan 8.280 nan 0.000 0.504 869 A N 0.449 123.350 122.820 0.136 0.000 1.978 869 A HA -0.127 4.193 4.320 0.000 0.000 0.220 869 A C 2.409 179.953 177.584 -0.065 0.000 1.170 869 A CA 1.544 53.608 52.037 0.044 0.000 0.636 869 A CB -0.793 18.236 19.000 0.047 0.000 0.810 869 A HN 0.484 nan 8.150 nan 0.000 0.448 870 L N -2.037 119.099 121.223 -0.145 0.000 2.056 870 L HA -0.021 4.319 4.340 0.000 0.000 0.207 870 L C 0.938 177.566 176.870 -0.403 0.000 1.078 870 L CA 0.439 55.085 54.840 -0.324 0.000 0.749 870 L CB -0.426 41.327 42.059 -0.510 0.000 0.901 870 L HN 0.313 nan 8.230 nan 0.000 0.433 871 F N 0.000 119.878 119.950 -0.120 0.000 2.286 871 F HA 0.000 4.527 4.527 0.000 0.000 0.279 871 F CA 0.000 57.903 58.000 -0.161 0.000 1.383 871 F CB 0.000 38.897 39.000 -0.171 0.000 1.145 871 F HN 0.000 nan 8.300 nan 0.000 0.574