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 3o8o_1_C DATA FIRST_RESID 205 DATA SEQUENCE KKKIAVMTSG GDSPGMNAAV RAVVRTGIHF GCDVFAVYEG YEGLLRGGKY DATA SEQUENCE LKKMAWEDVR GWLSEGGTLI GTARSMEFRK REGRRQAAGN LISQGIDALV DATA SEQUENCE VCGGDGSLTG ADLFRHEWPS LVDELVAEGR FTKEEVAPYK NLSIVGLVGS DATA SEQUENCE IDNDMSGTDS TIGAYSALER ICEMVDYIDA TAKSHSRAFV VEVMGRHCGW DATA SEQUENCE LALMAGIATG ADYIFIPERA VPHGKWQDEL KEVCQRHRSK GRRNNTIIVA DATA SEQUENCE EGALDDQLNP VTANDVKDAL IELGLDTKVT ILGHVQRGGT AVAHDRWLAT DATA SEQUENCE LQGVDAVKAV LEFTPETPSP LIGILENKII RMPLVESVKL TKSVATAIEN DATA SEQUENCE KDFDKAISLR DTEFIELYEN FLSTTVKDDG SELLPVSDRL NIGIVHVGAP DATA SEQUENCE SAALNAATRA ATLYCLSHGH KPYAIMNGFS GLIQTGEVKE LSWIDVENWH DATA SEQUENCE NLGGSEIGTN RSVASEDLGT IAYYFQKNKL DGLIILGGFE GFRSLKQLRD DATA SEQUENCE GRTQHPIFNI PMCLIPATVS NNVPGTEYSL GVDTCLNALV NYTDDIKQSA DATA SEQUENCE SATRRRVFVC EVQGGHSGYI ASFTGLITGA VSVYTPEKKI DLASIREDIT DATA SEQUENCE LLKENFRHDK GENRNGKLLV RNEQASSVYS TQLLADIISE ASKGKFGVRT DATA SEQUENCE AIPGHVQQGG VPSSKDRVTA SRFAVKCIKF IEQWNKKNEX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXEDDSA AVICVNGSHV SFKPIANLWE NETNVELRKG DATA SEQUENCE FEVHWAEYNK IGDILSGRLK LRAEVA 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 205 K HA 0.000 nan 4.320 nan 0.000 0.191 205 K C 0.000 176.671 176.600 0.118 0.000 0.988 205 K CA 0.000 56.341 56.287 0.090 0.000 0.838 205 K CB 0.000 32.551 32.500 0.085 0.000 1.064 206 K N 2.697 123.155 120.400 0.097 0.000 2.440 206 K HA 0.014 4.334 4.320 -0.000 0.000 0.275 206 K C -0.720 175.955 176.600 0.125 0.000 1.082 206 K CA 0.638 56.988 56.287 0.104 0.000 1.135 206 K CB 0.207 32.747 32.500 0.067 0.000 0.864 206 K HN 0.006 nan 8.250 nan 0.000 0.479 207 K N 2.857 123.345 120.400 0.146 0.000 2.138 207 K HA 0.494 4.814 4.320 -0.000 0.000 0.263 207 K C -0.198 176.476 176.600 0.123 0.000 0.965 207 K CA -0.305 56.094 56.287 0.186 0.000 0.868 207 K CB 1.112 33.721 32.500 0.181 0.000 1.083 207 K HN 0.384 nan 8.250 nan 0.000 0.443 208 I N 1.070 121.735 120.570 0.158 0.000 2.730 208 I HA 0.619 4.789 4.170 -0.000 0.000 0.298 208 I C -0.876 175.306 176.117 0.109 0.000 1.089 208 I CA -1.300 60.041 61.300 0.067 0.000 1.041 208 I CB 2.357 40.371 38.000 0.023 0.000 1.235 208 I HN 0.560 nan 8.210 nan 0.000 0.423 209 A N 4.664 127.498 122.820 0.024 0.000 2.343 209 A HA 0.839 5.159 4.320 -0.000 0.000 0.316 209 A C -0.784 176.772 177.584 -0.047 0.000 1.104 209 A CA -0.603 51.451 52.037 0.028 0.000 0.768 209 A CB 1.498 20.493 19.000 -0.007 0.000 1.213 209 A HN 0.545 nan 8.150 nan 0.000 0.456 210 V N 0.681 120.563 119.914 -0.053 0.000 2.555 210 V HA 0.850 4.970 4.120 -0.000 0.000 0.302 210 V C -0.263 175.748 176.094 -0.137 0.000 1.038 210 V CA -0.673 61.565 62.300 -0.103 0.000 0.887 210 V CB 1.210 32.971 31.823 -0.103 0.000 0.991 210 V HN 1.079 nan 8.190 nan 0.000 0.434 211 M N 3.608 123.098 119.600 -0.184 0.000 2.572 211 M HA 0.663 5.143 4.480 -0.000 0.000 0.299 211 M C -1.080 175.080 176.300 -0.233 0.000 1.205 211 M CA -0.222 54.934 55.300 -0.240 0.000 0.876 211 M CB 2.583 34.974 32.600 -0.349 0.000 1.728 211 M HN 0.819 nan 8.290 nan 0.000 0.458 212 T N 2.494 116.912 114.554 -0.227 0.000 2.912 212 T HA 0.464 4.814 4.350 -0.000 0.000 0.326 212 T C -1.310 173.279 174.700 -0.184 0.000 1.080 212 T CA -0.231 61.760 62.100 -0.181 0.000 1.000 212 T CB 0.589 69.370 68.868 -0.145 0.000 1.008 212 T HN 0.732 nan 8.240 nan 0.000 0.473 213 S N 3.333 118.918 115.700 -0.192 0.000 2.664 213 S HA 0.935 5.405 4.470 -0.000 0.000 0.304 213 S C 0.609 175.177 174.600 -0.054 0.000 1.099 213 S CA 0.713 58.825 58.200 -0.148 0.000 1.003 213 S CB 0.895 63.945 63.200 -0.250 0.000 1.092 213 S HN 1.572 nan 8.310 nan 0.000 0.525 214 G N 1.237 110.033 108.800 -0.007 0.000 2.615 214 G HA2 0.085 4.045 3.960 -0.000 0.000 0.218 214 G HA3 0.085 4.045 3.960 -0.000 0.000 0.218 214 G C 0.205 175.107 174.900 0.004 0.000 1.339 214 G CA -0.338 44.771 45.100 0.015 0.000 0.884 214 G HN 1.443 nan 8.290 nan 0.000 0.559 215 G N 0.683 109.490 108.800 0.011 0.000 2.365 215 G HA2 0.521 4.481 3.960 -0.000 0.000 0.249 215 G HA3 0.521 4.481 3.960 -0.000 0.000 0.249 215 G C 0.321 175.220 174.900 -0.001 0.000 1.288 215 G CA 0.943 46.052 45.100 0.015 0.000 0.887 215 G HN 1.143 nan 8.290 nan 0.000 0.524 216 D N 0.268 120.666 120.400 -0.004 0.000 2.357 216 D HA 0.407 5.047 4.640 -0.000 0.000 0.242 216 D C 0.238 176.533 176.300 -0.009 0.000 1.153 216 D CA -0.209 53.778 54.000 -0.021 0.000 0.918 216 D CB 1.291 42.072 40.800 -0.032 0.000 1.181 216 D HN 0.490 nan 8.370 nan 0.000 0.435 217 S N -1.260 114.429 115.700 -0.017 0.000 2.541 217 S HA 0.566 5.036 4.470 -0.000 0.000 0.271 217 S C -3.186 171.410 174.600 -0.006 0.000 1.133 217 S CA -1.531 56.667 58.200 -0.004 0.000 0.876 217 S CB 1.685 64.883 63.200 -0.003 0.000 1.105 217 S HN 0.198 nan 8.310 nan 0.000 0.470 218 P HA 0.382 nan 4.420 nan 0.000 0.263 218 P C 1.041 178.352 177.300 0.019 0.000 1.195 218 P CA 1.234 64.341 63.100 0.012 0.000 0.762 218 P CB 0.388 32.108 31.700 0.034 0.000 0.799 219 G N 2.675 111.475 108.800 -0.001 0.000 2.380 219 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.197 219 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.197 219 G C 1.083 175.972 174.900 -0.019 0.000 1.001 219 G CA 0.190 45.291 45.100 0.002 0.000 0.668 219 G HN 0.406 nan 8.290 nan 0.000 0.483 220 M N 0.769 120.350 119.600 -0.031 0.000 2.082 220 M HA -0.098 4.382 4.480 -0.000 0.000 0.258 220 M C 2.400 178.692 176.300 -0.014 0.000 1.069 220 M CA 2.084 57.360 55.300 -0.040 0.000 1.102 220 M CB -0.494 32.070 32.600 -0.059 0.000 1.336 220 M HN 0.286 nan 8.290 nan 0.000 0.404 221 N N 0.693 119.382 118.700 -0.018 0.000 2.104 221 N HA -0.111 4.629 4.740 -0.000 0.000 0.190 221 N C 1.743 177.353 175.510 0.167 0.000 1.024 221 N CA 1.734 54.836 53.050 0.086 0.000 0.853 221 N CB -0.463 37.960 38.487 -0.107 0.000 1.008 221 N HN 0.375 nan 8.380 nan 0.000 0.424 222 A N 1.197 124.048 122.820 0.051 0.000 1.883 222 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 222 A C 2.427 179.986 177.584 -0.043 0.000 1.186 222 A CA 2.110 54.150 52.037 0.005 0.000 0.624 222 A CB -0.936 18.048 19.000 -0.026 0.000 0.822 222 A HN 0.327 nan 8.150 nan 0.000 0.444 223 A N -0.670 122.122 122.820 -0.047 0.000 1.865 223 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 223 A C 2.275 179.810 177.584 -0.081 0.000 1.191 223 A CA 1.961 53.950 52.037 -0.079 0.000 0.623 223 A CB -1.125 17.832 19.000 -0.071 0.000 0.826 223 A HN 0.426 nan 8.150 nan 0.000 0.444 224 V N 0.332 120.229 119.914 -0.029 0.000 2.287 224 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 224 V C 2.709 178.709 176.094 -0.157 0.000 1.053 224 V CA 2.392 64.661 62.300 -0.052 0.000 1.027 224 V CB -0.810 31.058 31.823 0.074 0.000 0.646 224 V HN 0.729 nan 8.190 nan 0.000 0.447 225 R N 0.187 120.598 120.500 -0.147 0.000 2.139 225 R HA -0.204 4.136 4.340 -0.000 0.000 0.243 225 R C 2.150 178.241 176.300 -0.349 0.000 1.145 225 R CA 1.818 57.716 56.100 -0.336 0.000 0.976 225 R CB -0.374 29.777 30.300 -0.248 0.000 0.866 225 R HN 0.500 nan 8.270 nan 0.000 0.449 226 A N 0.400 123.070 122.820 -0.250 0.000 1.855 226 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 226 A C 2.284 179.727 177.584 -0.235 0.000 1.191 226 A CA 1.470 53.356 52.037 -0.251 0.000 0.613 226 A CB -0.636 18.240 19.000 -0.206 0.000 0.829 226 A HN 0.198 nan 8.150 nan 0.000 0.442 227 V N -0.062 119.740 119.914 -0.187 0.000 2.282 227 V HA -0.287 3.833 4.120 -0.000 0.000 0.249 227 V C 2.542 178.536 176.094 -0.167 0.000 1.057 227 V CA 2.142 64.354 62.300 -0.147 0.000 1.032 227 V CB -1.188 30.563 31.823 -0.121 0.000 0.645 227 V HN 0.354 nan 8.190 nan 0.000 0.447 228 V N 0.097 119.869 119.914 -0.237 0.000 2.220 228 V HA -0.301 3.819 4.120 -0.000 0.000 0.246 228 V C 2.634 178.566 176.094 -0.270 0.000 1.049 228 V CA 2.495 64.636 62.300 -0.266 0.000 1.003 228 V CB -0.783 30.806 31.823 -0.389 0.000 0.634 228 V HN 0.471 nan 8.190 nan 0.000 0.444 229 R N -0.334 119.898 120.500 -0.446 0.000 2.096 229 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 229 R C 2.323 178.523 176.300 -0.168 0.000 1.127 229 R CA 1.854 57.635 56.100 -0.533 0.000 0.968 229 R CB -0.826 28.787 30.300 -1.146 0.000 0.861 229 R HN 0.543 nan 8.270 nan 0.000 0.440 230 T N 0.086 114.517 114.554 -0.206 0.000 2.788 230 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 230 T C 1.900 176.533 174.700 -0.111 0.000 1.044 230 T CA 1.439 63.421 62.100 -0.197 0.000 1.139 230 T CB -0.431 68.339 68.868 -0.163 0.000 0.867 230 T HN 0.529 nan 8.240 nan 0.000 0.454 231 G N 1.640 110.424 108.800 -0.028 0.000 2.434 231 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.214 231 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.214 231 G C 1.512 176.466 174.900 0.089 0.000 1.202 231 G CA 0.515 45.650 45.100 0.059 0.000 0.788 231 G HN 0.489 nan 8.290 nan 0.000 0.539 232 I N 0.360 120.978 120.570 0.081 0.000 2.248 232 I HA -0.299 3.870 4.170 -0.000 0.000 0.248 232 I C 2.553 178.764 176.117 0.157 0.000 1.107 232 I CA 1.632 63.016 61.300 0.140 0.000 1.373 232 I CB -0.501 37.650 38.000 0.252 0.000 1.055 232 I HN 0.328 nan 8.210 nan 0.000 0.418 233 H N 1.532 120.644 119.070 0.070 0.000 2.319 233 H HA -0.172 4.384 4.556 -0.000 0.000 0.299 233 H C 1.523 176.855 175.328 0.007 0.000 1.092 233 H CA 1.607 57.627 56.048 -0.047 0.000 1.302 233 H CB -0.211 29.414 29.762 -0.229 0.000 1.373 233 H HN 0.321 nan 8.280 nan 0.000 0.497 234 F N 0.546 120.468 119.950 -0.047 0.000 2.697 234 F HA 0.128 4.655 4.527 -0.000 0.000 0.297 234 F C 1.758 177.519 175.800 -0.064 0.000 1.203 234 F CA -0.024 57.911 58.000 -0.108 0.000 1.421 234 F CB 0.224 39.223 39.000 -0.002 0.000 1.033 234 F HN 0.432 nan 8.300 nan 0.000 0.512 235 G N -0.274 108.586 108.800 0.100 0.000 2.228 235 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.270 235 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.270 235 G C 0.601 175.549 174.900 0.079 0.000 0.976 235 G CA 0.275 45.414 45.100 0.065 0.000 0.636 235 G HN 0.436 nan 8.290 nan 0.000 0.542 236 C N 0.085 119.451 119.300 0.109 0.000 2.776 236 C HA 0.585 5.045 4.460 -0.000 0.000 0.300 236 C C 0.582 175.620 174.990 0.079 0.000 1.462 236 C CA -0.176 58.900 59.018 0.097 0.000 2.246 236 C CB 0.607 28.410 27.740 0.106 0.000 2.203 236 C HN 0.536 nan 8.230 nan 0.000 0.701 237 D N -0.441 120.014 120.400 0.093 0.000 2.649 237 D HA 0.597 5.237 4.640 -0.000 0.000 0.249 237 D C -1.048 175.291 176.300 0.065 0.000 1.112 237 D CA -0.014 54.022 54.000 0.060 0.000 0.850 237 D CB 1.822 42.708 40.800 0.142 0.000 1.399 237 D HN 0.219 nan 8.370 nan 0.000 0.503 238 V N 2.964 122.831 119.914 -0.079 0.000 2.628 238 V HA 0.555 4.675 4.120 -0.000 0.000 0.306 238 V C -0.596 175.372 176.094 -0.209 0.000 1.045 238 V CA -0.715 61.558 62.300 -0.045 0.000 0.905 238 V CB 1.402 33.175 31.823 -0.084 0.000 0.997 238 V HN 0.359 nan 8.190 nan 0.000 0.436 239 F N 2.012 121.941 119.950 -0.034 0.000 2.520 239 F HA 0.782 5.309 4.527 -0.000 0.000 0.322 239 F C 0.512 176.296 175.800 -0.026 0.000 1.103 239 F CA -0.541 57.453 58.000 -0.010 0.000 0.926 239 F CB 1.885 40.889 39.000 0.007 0.000 1.154 239 F HN 0.586 nan 8.300 nan 0.000 0.453 240 A N 2.176 125.083 122.820 0.144 0.000 2.293 240 A HA 0.779 5.099 4.320 -0.000 0.000 0.302 240 A C -1.058 176.593 177.584 0.111 0.000 1.119 240 A CA -0.566 51.490 52.037 0.032 0.000 0.823 240 A CB 0.905 19.872 19.000 -0.056 0.000 1.097 240 A HN 0.547 nan 8.150 nan 0.000 0.491 241 V N 2.809 122.694 119.914 -0.048 0.000 2.349 241 V HA 0.265 4.385 4.120 -0.000 0.000 0.284 241 V C -1.166 174.891 176.094 -0.060 0.000 1.014 241 V CA -0.370 61.950 62.300 0.034 0.000 0.826 241 V CB 0.393 32.183 31.823 -0.056 0.000 1.009 241 V HN 0.756 nan 8.190 nan 0.000 0.431 242 Y N 2.950 123.237 120.300 -0.022 0.000 2.326 242 Y HA 0.309 4.858 4.550 -0.000 0.000 0.333 242 Y C 1.330 177.211 175.900 -0.031 0.000 1.240 242 Y CA -0.354 57.701 58.100 -0.075 0.000 1.365 242 Y CB 0.504 38.844 38.460 -0.199 0.000 1.289 242 Y HN 0.706 nan 8.280 nan 0.000 0.548 243 E N -0.054 120.187 120.200 0.068 0.000 2.660 243 E HA -0.247 4.103 4.350 -0.000 0.000 0.260 243 E C 0.860 177.475 176.600 0.025 0.000 1.122 243 E CA 1.161 57.603 56.400 0.071 0.000 0.755 243 E CB -1.752 28.058 29.700 0.184 0.000 1.345 243 E HN 1.066 nan 8.360 nan 0.000 0.421 244 G N -0.306 108.449 108.800 -0.075 0.000 2.564 244 G HA2 -0.436 3.524 3.960 -0.000 0.000 0.273 244 G HA3 -0.436 3.524 3.960 -0.000 0.000 0.273 244 G C 0.598 175.358 174.900 -0.234 0.000 1.242 244 G CA 0.461 45.441 45.100 -0.201 0.000 0.951 244 G HN 0.146 nan 8.290 nan 0.000 0.564 245 Y N 0.836 120.998 120.300 -0.229 0.000 2.151 245 Y HA -0.110 4.440 4.550 -0.000 0.000 0.284 245 Y C 2.918 178.698 175.900 -0.200 0.000 1.166 245 Y CA 2.437 60.285 58.100 -0.420 0.000 1.163 245 Y CB -0.606 37.462 38.460 -0.654 0.000 0.974 245 Y HN 0.741 nan 8.280 nan 0.000 0.511 246 E N -0.186 120.063 120.200 0.081 0.000 2.068 246 E HA -0.217 4.133 4.350 -0.000 0.000 0.207 246 E C 2.581 179.256 176.600 0.125 0.000 1.032 246 E CA 1.947 58.414 56.400 0.112 0.000 0.839 246 E CB -1.016 28.759 29.700 0.126 0.000 0.758 246 E HN 0.400 nan 8.360 nan 0.000 0.457 247 G N 0.084 109.009 108.800 0.209 0.000 2.462 247 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.220 247 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.220 247 G C 1.517 176.535 174.900 0.197 0.000 1.121 247 G CA 0.898 46.220 45.100 0.369 0.000 0.758 247 G HN 0.329 nan 8.290 nan 0.000 0.559 248 L N -0.012 121.261 121.223 0.083 0.000 2.093 248 L HA 0.095 4.435 4.340 -0.000 0.000 0.208 248 L C 2.421 179.377 176.870 0.144 0.000 1.085 248 L CA 1.142 56.018 54.840 0.060 0.000 0.755 248 L CB -0.383 41.629 42.059 -0.079 0.000 0.904 248 L HN 0.184 nan 8.230 nan 0.000 0.435 249 L N -0.188 121.135 121.223 0.167 0.000 1.988 249 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 249 L C 2.571 179.496 176.870 0.090 0.000 1.071 249 L CA 1.675 56.635 54.840 0.201 0.000 0.744 249 L CB -1.242 40.950 42.059 0.221 0.000 0.893 249 L HN 0.277 nan 8.230 nan 0.000 0.433 250 R N 0.878 121.374 120.500 -0.008 0.000 2.261 250 R HA -0.030 4.310 4.340 -0.000 0.000 0.236 250 R C 1.229 177.499 176.300 -0.051 0.000 1.141 250 R CA 0.705 56.717 56.100 -0.147 0.000 1.001 250 R CB -1.617 28.351 30.300 -0.554 0.000 0.866 250 R HN 0.603 nan 8.270 nan 0.000 0.468 251 G N -0.065 108.768 108.800 0.055 0.000 2.726 251 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.261 251 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.261 251 G C 0.286 175.253 174.900 0.111 0.000 1.352 251 G CA 0.001 45.155 45.100 0.090 0.000 0.906 251 G HN 0.618 nan 8.290 nan 0.000 0.566 252 G N -0.875 107.985 108.800 0.101 0.000 2.964 252 G HA2 0.188 4.148 3.960 -0.000 0.000 0.289 252 G HA3 0.188 4.148 3.960 -0.000 0.000 0.289 252 G C 0.936 175.928 174.900 0.153 0.000 0.276 252 G CA 1.846 47.012 45.100 0.109 0.000 1.210 252 G HN 2.279 nan 8.290 nan 0.000 0.228 253 K N 0.781 121.263 120.400 0.136 0.000 8.070 253 K HA -0.333 3.987 4.320 -0.000 0.000 0.487 253 K C 1.449 178.111 176.600 0.104 0.000 0.363 253 K CA 2.247 58.598 56.287 0.106 0.000 1.957 253 K CB -1.578 31.004 32.500 0.137 0.000 0.676 253 K HN 0.573 nan 8.250 nan 0.000 0.908 254 Y N 1.268 121.572 120.300 0.008 0.000 2.665 254 Y HA 0.274 4.824 4.550 -0.000 0.000 0.320 254 Y C 0.535 176.527 175.900 0.154 0.000 1.204 254 Y CA 1.167 59.297 58.100 0.050 0.000 1.315 254 Y CB 0.078 38.579 38.460 0.068 0.000 1.033 254 Y HN 0.233 nan 8.280 nan 0.000 0.509 255 L N 0.705 122.079 121.223 0.251 0.000 2.516 255 L HA 0.413 4.753 4.340 -0.000 0.000 0.267 255 L C -1.068 175.983 176.870 0.301 0.000 0.957 255 L CA -0.641 54.365 54.840 0.276 0.000 0.860 255 L CB 1.511 43.682 42.059 0.187 0.000 1.265 255 L HN -0.184 nan 8.230 nan 0.000 0.403 256 K N 5.021 125.652 120.400 0.385 0.000 2.468 256 K HA 0.340 4.660 4.320 -0.000 0.000 0.252 256 K C -1.233 175.432 176.600 0.108 0.000 0.932 256 K CA -0.841 55.620 56.287 0.289 0.000 0.794 256 K CB 2.163 34.764 32.500 0.167 0.000 1.241 256 K HN 0.526 nan 8.250 nan 0.000 0.428 257 K N 5.466 125.738 120.400 -0.212 0.000 2.383 257 K HA 0.082 4.402 4.320 -0.000 0.000 0.286 257 K C -0.347 176.021 176.600 -0.386 0.000 1.051 257 K CA -0.158 55.598 56.287 -0.885 0.000 0.974 257 K CB 0.449 32.505 32.500 -0.740 0.000 0.968 257 K HN 0.517 nan 8.250 nan 0.000 0.475 258 M N 3.117 122.497 119.600 -0.367 0.000 2.233 258 M HA 0.273 4.753 4.480 -0.000 0.000 0.355 258 M C 0.219 176.402 176.300 -0.195 0.000 1.191 258 M CA -0.484 54.678 55.300 -0.230 0.000 1.101 258 M CB 1.064 33.517 32.600 -0.245 0.000 1.592 258 M HN 0.644 nan 8.290 nan 0.000 0.461 259 A N 3.086 125.822 122.820 -0.140 0.000 2.252 259 A HA 0.314 4.634 4.320 -0.000 0.000 0.305 259 A C 0.884 178.437 177.584 -0.051 0.000 1.097 259 A CA -0.612 51.388 52.037 -0.063 0.000 0.849 259 A CB 0.397 19.380 19.000 -0.029 0.000 1.142 259 A HN 1.060 nan 8.150 nan 0.000 0.499 260 W N 0.650 121.866 121.300 -0.140 0.000 2.355 260 W HA -0.149 4.511 4.660 -0.000 0.000 0.309 260 W C 1.574 177.988 176.519 -0.175 0.000 1.206 260 W CA 2.272 59.526 57.345 -0.151 0.000 1.284 260 W CB 0.130 29.526 29.460 -0.107 0.000 1.145 260 W HN 0.891 nan 8.180 nan 0.000 0.502 261 E N -0.184 120.070 120.200 0.090 0.000 2.482 261 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 261 E C 1.089 177.604 176.600 -0.141 0.000 1.047 261 E CA 0.846 57.240 56.400 -0.010 0.000 0.869 261 E CB -0.850 28.895 29.700 0.075 0.000 0.836 261 E HN 0.163 nan 8.360 nan 0.000 0.520 262 D N 1.390 121.666 120.400 -0.206 0.000 2.309 262 D HA -0.096 4.544 4.640 -0.000 0.000 0.212 262 D C 1.706 177.672 176.300 -0.557 0.000 0.968 262 D CA 1.289 55.140 54.000 -0.248 0.000 0.882 262 D CB 0.303 40.963 40.800 -0.233 0.000 0.918 262 D HN 0.307 nan 8.370 nan 0.000 0.503 263 V N -1.210 118.215 119.914 -0.814 0.000 3.319 263 V HA 0.204 4.324 4.120 -0.000 0.000 0.317 263 V C 0.639 176.275 176.094 -0.763 0.000 1.411 263 V CA -0.656 60.753 62.300 -1.485 0.000 1.112 263 V CB -0.633 30.384 31.823 -1.343 0.000 1.031 263 V HN -0.011 nan 8.190 nan 0.000 0.448 264 R N 1.262 121.557 120.500 -0.342 0.000 2.484 264 R HA 0.434 4.773 4.340 -0.000 0.000 0.293 264 R C 1.031 177.394 176.300 0.105 0.000 1.023 264 R CA 0.967 57.001 56.100 -0.110 0.000 1.037 264 R CB 0.074 30.345 30.300 -0.049 0.000 0.951 264 R HN 0.890 nan 8.270 nan 0.000 0.418 265 G N 3.110 111.970 108.800 0.100 0.000 2.195 265 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.246 265 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.246 265 G C 0.150 175.188 174.900 0.230 0.000 0.984 265 G CA 0.141 45.331 45.100 0.149 0.000 0.633 265 G HN 0.734 nan 8.290 nan 0.000 0.525 266 W N 0.850 122.093 121.300 -0.095 0.000 2.632 266 W HA 0.362 5.022 4.660 -0.000 0.000 0.248 266 W C 2.307 178.772 176.519 -0.090 0.000 1.259 266 W CA 0.890 58.177 57.345 -0.097 0.000 1.288 266 W CB -0.591 28.794 29.460 -0.125 0.000 1.136 266 W HN 0.362 nan 8.180 nan 0.000 0.640 267 L N 0.189 121.481 121.223 0.115 0.000 2.291 267 L HA -0.105 4.235 4.340 -0.000 0.000 0.214 267 L C 1.829 178.712 176.870 0.022 0.000 1.120 267 L CA 1.462 56.326 54.840 0.040 0.000 0.799 267 L CB -0.424 41.641 42.059 0.009 0.000 0.925 267 L HN -0.051 nan 8.230 nan 0.000 0.446 268 S N -2.224 113.485 115.700 0.015 0.000 2.624 268 S HA 0.277 4.747 4.470 -0.000 0.000 0.246 268 S C 0.031 174.607 174.600 -0.039 0.000 1.072 268 S CA -0.695 57.501 58.200 -0.006 0.000 1.045 268 S CB 0.123 63.321 63.200 -0.003 0.000 0.851 268 S HN 0.040 nan 8.310 nan 0.000 0.480 269 E N 1.585 121.740 120.200 -0.075 0.000 2.171 269 E HA 0.524 4.874 4.350 -0.000 0.000 0.271 269 E C 0.516 177.036 176.600 -0.133 0.000 0.916 269 E CA -0.458 55.855 56.400 -0.146 0.000 0.774 269 E CB 1.731 31.251 29.700 -0.299 0.000 1.128 269 E HN 0.435 nan 8.360 nan 0.000 0.403 270 G N 1.242 109.973 108.800 -0.115 0.000 2.683 270 G HA2 0.362 4.322 3.960 -0.000 0.000 0.260 270 G HA3 0.362 4.322 3.960 -0.000 0.000 0.260 270 G C 0.737 175.567 174.900 -0.117 0.000 1.238 270 G CA 0.160 45.208 45.100 -0.087 0.000 0.934 270 G HN 0.588 nan 8.290 nan 0.000 0.534 271 G N -1.189 107.562 108.800 -0.081 0.000 2.529 271 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.491 271 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.491 271 G C 0.574 175.392 174.900 -0.136 0.000 1.387 271 G CA 1.015 46.061 45.100 -0.089 0.000 0.928 271 G HN 1.615 nan 8.290 nan 0.000 0.515 272 T N -0.344 114.121 114.554 -0.148 0.000 2.792 272 T HA 0.564 4.914 4.350 -0.000 0.000 0.280 272 T C 1.415 175.959 174.700 -0.260 0.000 0.990 272 T CA -0.355 61.629 62.100 -0.194 0.000 0.960 272 T CB 0.855 69.636 68.868 -0.146 0.000 0.939 272 T HN 0.561 nan 8.240 nan 0.000 0.439 273 L N 5.200 126.162 121.223 -0.434 0.000 2.622 273 L HA 0.226 4.566 4.340 -0.000 0.000 0.233 273 L C 1.587 178.277 176.870 -0.301 0.000 1.156 273 L CA 0.691 55.227 54.840 -0.507 0.000 0.866 273 L CB -0.281 41.088 42.059 -1.150 0.000 0.980 273 L HN 0.745 nan 8.230 nan 0.000 0.448 274 I N -3.632 116.765 120.570 -0.287 0.000 3.936 274 I HA 0.480 4.650 4.170 -0.000 0.000 0.330 274 I C 0.866 176.825 176.117 -0.263 0.000 1.509 274 I CA -0.441 60.596 61.300 -0.439 0.000 1.126 274 I CB -0.288 37.324 38.000 -0.648 0.000 1.115 274 I HN 0.053 nan 8.210 nan 0.000 0.424 275 G N 1.768 110.477 108.800 -0.152 0.000 2.953 275 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.421 275 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.421 275 G C -0.209 174.638 174.900 -0.089 0.000 1.531 275 G CA 0.178 45.224 45.100 -0.089 0.000 0.971 275 G HN 0.587 nan 8.290 nan 0.000 0.558 276 T N -0.318 114.204 114.554 -0.053 0.000 3.348 276 T HA 0.759 5.108 4.350 -0.000 0.000 0.328 276 T C 0.111 174.806 174.700 -0.009 0.000 0.913 276 T CA 1.031 63.102 62.100 -0.048 0.000 1.043 276 T CB 0.002 68.838 68.868 -0.054 0.000 1.021 276 T HN 2.180 nan 8.240 nan 0.000 0.461 277 A N 4.465 127.293 122.820 0.013 0.000 2.288 277 A HA 0.960 5.280 4.320 -0.000 0.000 0.328 277 A C -0.167 177.450 177.584 0.055 0.000 1.123 277 A CA -0.905 51.158 52.037 0.043 0.000 0.861 277 A CB 1.109 20.155 19.000 0.076 0.000 1.272 277 A HN 0.713 nan 8.150 nan 0.000 0.490 278 R N 0.501 121.039 120.500 0.063 0.000 2.474 278 R HA 0.548 4.888 4.340 -0.000 0.000 0.295 278 R C -0.805 175.548 176.300 0.087 0.000 0.980 278 R CA -0.208 55.937 56.100 0.076 0.000 0.934 278 R CB 1.654 31.991 30.300 0.062 0.000 1.101 278 R HN 0.627 nan 8.270 nan 0.000 0.469 279 S N 2.798 118.561 115.700 0.106 0.000 2.659 279 S HA 0.260 4.730 4.470 -0.000 0.000 0.312 279 S C 1.045 175.722 174.600 0.128 0.000 1.114 279 S CA -0.577 57.696 58.200 0.122 0.000 1.063 279 S CB 1.002 64.299 63.200 0.161 0.000 0.996 279 S HN 0.607 nan 8.310 nan 0.000 0.478 280 M N 2.958 122.617 119.600 0.098 0.000 2.123 280 M HA -0.013 4.467 4.480 -0.000 0.000 0.263 280 M C 1.690 178.045 176.300 0.091 0.000 1.069 280 M CA 1.454 56.802 55.300 0.080 0.000 1.133 280 M CB -0.431 32.202 32.600 0.054 0.000 1.356 280 M HN 0.598 nan 8.290 nan 0.000 0.415 281 E N 0.288 120.546 120.200 0.096 0.000 2.187 281 E HA -0.224 4.126 4.350 -0.000 0.000 0.199 281 E C 1.570 178.238 176.600 0.112 0.000 1.004 281 E CA 1.350 57.803 56.400 0.089 0.000 0.813 281 E CB -0.451 29.302 29.700 0.089 0.000 0.736 281 E HN 0.386 nan 8.360 nan 0.000 0.468 282 F N 1.103 121.063 119.950 0.017 0.000 2.365 282 F HA -0.063 4.464 4.527 -0.000 0.000 0.300 282 F C 1.713 177.504 175.800 -0.014 0.000 1.090 282 F CA 0.986 58.988 58.000 0.005 0.000 1.408 282 F CB 0.179 39.147 39.000 -0.052 0.000 1.060 282 F HN -0.094 nan 8.300 nan 0.000 0.534 283 R N 0.452 120.981 120.500 0.048 0.000 2.193 283 R HA -0.049 4.291 4.340 -0.000 0.000 0.229 283 R C 0.329 176.588 176.300 -0.067 0.000 1.110 283 R CA 0.747 56.841 56.100 -0.010 0.000 0.988 283 R CB -0.448 29.868 30.300 0.026 0.000 0.871 283 R HN 0.234 nan 8.270 nan 0.000 0.458 284 K N 0.878 121.233 120.400 -0.075 0.000 2.159 284 K HA 0.267 4.587 4.320 -0.000 0.000 0.266 284 K C 0.859 177.385 176.600 -0.122 0.000 0.975 284 K CA -0.624 55.619 56.287 -0.074 0.000 0.865 284 K CB 1.585 34.063 32.500 -0.037 0.000 1.087 284 K HN -0.130 nan 8.250 nan 0.000 0.446 285 R N 1.567 122.004 120.500 -0.104 0.000 2.185 285 R HA -0.233 4.107 4.340 -0.000 0.000 0.247 285 R C 1.658 177.905 176.300 -0.087 0.000 1.159 285 R CA 1.626 57.661 56.100 -0.109 0.000 0.988 285 R CB -0.001 30.253 30.300 -0.076 0.000 0.871 285 R HN 0.674 nan 8.270 nan 0.000 0.458 286 E N -0.071 120.094 120.200 -0.059 0.000 2.038 286 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 286 E C 1.996 178.583 176.600 -0.021 0.000 1.000 286 E CA 1.800 58.180 56.400 -0.032 0.000 0.803 286 E CB -0.613 29.075 29.700 -0.019 0.000 0.750 286 E HN 0.358 nan 8.360 nan 0.000 0.448 287 G N 0.350 109.130 108.800 -0.033 0.000 2.446 287 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.217 287 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.217 287 G C 1.615 176.509 174.900 -0.009 0.000 1.168 287 G CA 1.061 46.164 45.100 0.006 0.000 0.771 287 G HN 0.215 nan 8.290 nan 0.000 0.551 288 R N -0.192 120.177 120.500 -0.219 0.000 2.080 288 R HA -0.048 4.292 4.340 -0.000 0.000 0.236 288 R C 2.674 179.053 176.300 0.131 0.000 1.137 288 R CA 1.369 57.386 56.100 -0.138 0.000 0.943 288 R CB -0.446 29.699 30.300 -0.259 0.000 0.846 288 R HN 0.271 nan 8.270 nan 0.000 0.431 289 R N 1.151 121.655 120.500 0.007 0.000 2.091 289 R HA -0.254 4.086 4.340 -0.000 0.000 0.238 289 R C 2.333 178.681 176.300 0.079 0.000 1.136 289 R CA 2.063 58.163 56.100 -0.000 0.000 0.959 289 R CB -0.148 30.131 30.300 -0.036 0.000 0.856 289 R HN 0.171 nan 8.270 nan 0.000 0.437 290 Q N 0.437 120.291 119.800 0.090 0.000 1.967 290 Q HA -0.239 4.101 4.340 -0.000 0.000 0.210 290 Q C 1.877 177.988 176.000 0.185 0.000 1.005 290 Q CA 2.858 58.730 55.803 0.116 0.000 0.862 290 Q CB -0.603 28.198 28.738 0.105 0.000 0.939 290 Q HN 0.422 nan 8.270 nan 0.000 0.417 291 A N 0.600 123.585 122.820 0.276 0.000 1.869 291 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 291 A C 2.422 180.232 177.584 0.375 0.000 1.203 291 A CA 2.933 55.182 52.037 0.353 0.000 0.638 291 A CB -1.744 17.577 19.000 0.535 0.000 0.831 291 A HN 0.758 nan 8.150 nan 0.000 0.450 292 A N -0.893 122.224 122.820 0.496 0.000 2.009 292 A HA -0.074 4.246 4.320 -0.000 0.000 0.222 292 A C 2.399 180.081 177.584 0.164 0.000 1.175 292 A CA 2.460 54.753 52.037 0.427 0.000 0.651 292 A CB -1.509 17.543 19.000 0.086 0.000 0.815 292 A HN 0.946 nan 8.150 nan 0.000 0.459 293 G N -0.185 108.706 108.800 0.151 0.000 2.404 293 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.215 293 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.215 293 G C 1.346 176.350 174.900 0.175 0.000 1.174 293 G CA 0.923 46.145 45.100 0.203 0.000 0.780 293 G HN 0.582 nan 8.290 nan 0.000 0.537 294 N N 0.824 119.624 118.700 0.166 0.000 2.094 294 N HA -0.098 4.642 4.740 -0.000 0.000 0.191 294 N C 2.227 177.760 175.510 0.039 0.000 1.023 294 N CA 0.948 54.067 53.050 0.115 0.000 0.857 294 N CB -0.451 38.108 38.487 0.120 0.000 1.013 294 N HN 0.328 nan 8.380 nan 0.000 0.426 295 L N 0.560 121.826 121.223 0.072 0.000 2.044 295 L HA 0.010 4.350 4.340 -0.000 0.000 0.205 295 L C 2.236 179.036 176.870 -0.118 0.000 1.075 295 L CA 0.702 55.544 54.840 0.003 0.000 0.747 295 L CB -0.347 41.813 42.059 0.168 0.000 0.903 295 L HN 0.055 nan 8.230 nan 0.000 0.435 296 I N -0.656 119.841 120.570 -0.122 0.000 2.286 296 I HA -0.296 3.873 4.170 -0.000 0.000 0.248 296 I C 2.838 178.653 176.117 -0.504 0.000 1.115 296 I CA 1.287 62.340 61.300 -0.412 0.000 1.392 296 I CB -0.320 37.292 38.000 -0.646 0.000 1.065 296 I HN 0.257 nan 8.210 nan 0.000 0.418 297 S N 0.422 115.981 115.700 -0.236 0.000 2.400 297 S HA -0.211 4.259 4.470 -0.000 0.000 0.232 297 S C 1.922 176.448 174.600 -0.124 0.000 1.025 297 S CA 1.395 59.596 58.200 0.000 0.000 0.993 297 S CB -0.045 63.249 63.200 0.158 0.000 0.808 297 S HN 0.406 nan 8.310 nan 0.000 0.478 298 Q N -0.248 119.406 119.800 -0.243 0.000 2.392 298 Q HA 0.279 4.619 4.340 -0.000 0.000 0.203 298 Q C 1.353 177.124 176.000 -0.382 0.000 0.917 298 Q CA 0.703 56.308 55.803 -0.331 0.000 0.939 298 Q CB 0.219 28.612 28.738 -0.576 0.000 1.063 298 Q HN 0.713 nan 8.270 nan 0.000 0.516 299 G N 1.496 109.969 108.800 -0.544 0.000 2.142 299 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.225 299 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.225 299 G C -0.027 174.615 174.900 -0.429 0.000 1.015 299 G CA -0.116 44.486 45.100 -0.830 0.000 0.716 299 G HN 0.296 nan 8.290 nan 0.000 0.508 300 I N 1.349 121.716 120.570 -0.339 0.000 2.336 300 I HA 0.384 4.554 4.170 -0.000 0.000 0.292 300 I C 0.105 176.215 176.117 -0.011 0.000 0.991 300 I CA -0.533 60.685 61.300 -0.137 0.000 1.227 300 I CB 1.400 39.280 38.000 -0.200 0.000 1.366 300 I HN 0.213 nan 8.210 nan 0.000 0.466 301 D N 5.098 125.505 120.400 0.010 0.000 2.673 301 D HA 0.370 5.010 4.640 -0.000 0.000 0.278 301 D C -0.391 175.753 176.300 -0.260 0.000 1.393 301 D CA -0.183 53.756 54.000 -0.102 0.000 0.805 301 D CB 0.884 41.756 40.800 0.121 0.000 1.110 301 D HN 0.383 nan 8.370 nan 0.000 0.476 302 A N 0.471 123.156 122.820 -0.226 0.000 2.437 302 A HA 0.593 4.913 4.320 -0.000 0.000 0.293 302 A C -1.916 175.538 177.584 -0.218 0.000 1.038 302 A CA -0.793 51.077 52.037 -0.279 0.000 0.708 302 A CB 1.581 20.451 19.000 -0.217 0.000 1.251 302 A HN 0.157 nan 8.150 nan 0.000 0.409 303 L N 3.141 124.215 121.223 -0.247 0.000 2.356 303 L HA 0.725 5.065 4.340 -0.000 0.000 0.277 303 L C -1.161 175.609 176.870 -0.166 0.000 0.996 303 L CA -0.382 54.352 54.840 -0.177 0.000 0.822 303 L CB 2.085 44.050 42.059 -0.157 0.000 1.256 303 L HN 0.437 nan 8.230 nan 0.000 0.413 304 V N 6.113 125.945 119.914 -0.138 0.000 2.311 304 V HA 0.437 4.557 4.120 -0.000 0.000 0.275 304 V C -0.216 175.803 176.094 -0.126 0.000 1.022 304 V CA -0.636 61.594 62.300 -0.117 0.000 0.830 304 V CB 1.340 33.104 31.823 -0.099 0.000 1.012 304 V HN 0.506 nan 8.190 nan 0.000 0.452 305 V N 4.409 124.255 119.914 -0.114 0.000 2.394 305 V HA 0.365 4.485 4.120 -0.000 0.000 0.282 305 V C 0.055 176.090 176.094 -0.100 0.000 1.031 305 V CA -0.433 61.785 62.300 -0.137 0.000 0.881 305 V CB 1.649 33.393 31.823 -0.131 0.000 0.982 305 V HN 0.983 nan 8.190 nan 0.000 0.451 306 C N 5.178 124.410 119.300 -0.114 0.000 2.316 306 C HA 0.964 5.424 4.460 -0.000 0.000 0.324 306 C C 0.418 175.359 174.990 -0.081 0.000 1.226 306 C CA 0.533 59.501 59.018 -0.085 0.000 1.450 306 C CB -0.598 27.091 27.740 -0.084 0.000 2.123 306 C HN 1.229 nan 8.230 nan 0.000 0.454 307 G N 3.584 112.351 108.800 -0.054 0.000 2.325 307 G HA2 0.535 4.495 3.960 -0.000 0.000 0.295 307 G HA3 0.535 4.495 3.960 -0.000 0.000 0.295 307 G C -0.113 174.776 174.900 -0.018 0.000 1.274 307 G CA 0.020 45.096 45.100 -0.041 0.000 0.857 307 G HN 1.272 nan 8.290 nan 0.000 0.499 308 G N -0.576 108.221 108.800 -0.005 0.000 2.771 308 G HA2 0.335 4.295 3.960 -0.000 0.000 0.242 308 G HA3 0.335 4.295 3.960 -0.000 0.000 0.242 308 G C 1.129 176.040 174.900 0.017 0.000 1.233 308 G CA 1.061 46.165 45.100 0.006 0.000 0.858 308 G HN 0.938 nan 8.290 nan 0.000 0.591 309 D N 0.340 120.751 120.400 0.018 0.000 2.158 309 D HA -0.140 4.500 4.640 -0.000 0.000 0.197 309 D C 2.162 178.488 176.300 0.044 0.000 0.995 309 D CA 1.783 55.799 54.000 0.027 0.000 0.846 309 D CB -0.838 39.977 40.800 0.025 0.000 0.941 309 D HN 0.444 nan 8.370 nan 0.000 0.456 310 G N 0.758 109.587 108.800 0.049 0.000 2.639 310 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.216 310 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.216 310 G C 1.904 176.855 174.900 0.085 0.000 1.267 310 G CA 2.080 47.217 45.100 0.062 0.000 0.801 310 G HN 0.400 nan 8.290 nan 0.000 0.592 311 S N 0.836 116.601 115.700 0.109 0.000 2.400 311 S HA -0.173 4.297 4.470 -0.000 0.000 0.234 311 S C 2.314 177.011 174.600 0.161 0.000 1.049 311 S CA 1.457 59.772 58.200 0.192 0.000 1.039 311 S CB -0.404 62.877 63.200 0.134 0.000 0.856 311 S HN 0.327 nan 8.310 nan 0.000 0.465 312 L N 0.871 122.149 121.223 0.092 0.000 2.046 312 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 312 L C 2.755 179.684 176.870 0.099 0.000 1.077 312 L CA 1.401 56.288 54.840 0.078 0.000 0.747 312 L CB -1.373 40.714 42.059 0.048 0.000 0.896 312 L HN 0.333 nan 8.230 nan 0.000 0.432 313 T N -0.198 114.411 114.554 0.093 0.000 2.614 313 T HA -0.155 4.195 4.350 -0.000 0.000 0.263 313 T C 1.888 176.662 174.700 0.124 0.000 1.055 313 T CA 1.464 63.622 62.100 0.096 0.000 1.162 313 T CB -0.882 68.031 68.868 0.075 0.000 0.863 313 T HN 0.533 nan 8.240 nan 0.000 0.414 314 G N 1.277 110.145 108.800 0.114 0.000 2.507 314 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.221 314 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.221 314 G C 1.731 176.760 174.900 0.215 0.000 1.119 314 G CA 1.056 46.227 45.100 0.118 0.000 0.751 314 G HN 0.629 nan 8.290 nan 0.000 0.574 315 A N 0.158 123.120 122.820 0.236 0.000 2.121 315 A HA 0.030 4.350 4.320 -0.000 0.000 0.218 315 A C 2.003 179.738 177.584 0.252 0.000 1.154 315 A CA 2.048 54.239 52.037 0.258 0.000 0.679 315 A CB -0.251 18.851 19.000 0.170 0.000 0.795 315 A HN 0.382 nan 8.150 nan 0.000 0.458 316 D N -0.682 119.847 120.400 0.215 0.000 2.197 316 D HA -0.016 4.624 4.640 -0.000 0.000 0.212 316 D C 1.585 178.039 176.300 0.258 0.000 0.963 316 D CA 0.581 54.705 54.000 0.207 0.000 0.864 316 D CB -0.106 40.805 40.800 0.185 0.000 1.009 316 D HN 0.185 nan 8.370 nan 0.000 0.479 317 L N 0.098 121.470 121.223 0.248 0.000 2.189 317 L HA -0.077 4.263 4.340 -0.000 0.000 0.214 317 L C 2.002 179.041 176.870 0.281 0.000 1.097 317 L CA 1.063 56.042 54.840 0.232 0.000 0.764 317 L CB -0.806 41.357 42.059 0.174 0.000 0.900 317 L HN 0.120 nan 8.230 nan 0.000 0.436 318 F N -0.260 119.800 119.950 0.183 0.000 2.118 318 F HA -0.095 4.432 4.527 -0.000 0.000 0.293 318 F C 2.754 178.671 175.800 0.194 0.000 1.102 318 F CA 1.258 59.390 58.000 0.220 0.000 1.247 318 F CB -0.185 38.994 39.000 0.298 0.000 1.017 318 F HN -0.114 nan 8.300 nan 0.000 0.475 319 R N -0.418 120.213 120.500 0.219 0.000 2.096 319 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 319 R C 0.280 176.598 176.300 0.030 0.000 1.127 319 R CA 1.011 57.128 56.100 0.030 0.000 0.968 319 R CB -0.749 29.533 30.300 -0.029 0.000 0.861 319 R HN 0.247 nan 8.270 nan 0.000 0.440 320 H N 0.402 119.534 119.070 0.103 0.000 2.820 320 H HA 0.093 4.649 4.556 -0.000 0.000 0.248 320 H C 0.222 175.582 175.328 0.054 0.000 1.714 320 H CA 0.454 56.549 56.048 0.078 0.000 1.334 320 H CB 0.147 29.952 29.762 0.072 0.000 1.693 320 H HN 0.414 nan 8.280 nan 0.000 0.548 321 E N 0.938 121.229 120.200 0.151 0.000 1.442 321 E HA -0.125 4.225 4.350 -0.000 0.000 0.199 321 E C 0.427 177.025 176.600 -0.003 0.000 0.721 321 E CA -0.145 56.286 56.400 0.052 0.000 0.973 321 E CB -1.060 28.653 29.700 0.022 0.000 4.295 321 E HN 0.346 nan 8.360 nan 0.000 0.545 322 W N 1.845 123.022 121.300 -0.206 0.000 2.413 322 W HA 0.158 4.818 4.660 -0.000 0.000 0.315 322 W C -1.377 175.056 176.519 -0.142 0.000 1.186 322 W CA 2.591 59.776 57.345 -0.266 0.000 1.326 322 W CB -1.143 28.175 29.460 -0.235 0.000 1.153 322 W HN 0.176 nan 8.180 nan 0.000 0.489 323 P HA -0.310 nan 4.420 nan 0.000 0.216 323 P C 1.966 179.205 177.300 -0.102 0.000 1.157 323 P CA 3.193 66.281 63.100 -0.020 0.000 0.880 323 P CB -0.490 31.247 31.700 0.061 0.000 0.791 324 S N -0.768 114.895 115.700 -0.062 0.000 2.368 324 S HA -0.205 4.265 4.470 -0.000 0.000 0.226 324 S C 1.899 176.421 174.600 -0.130 0.000 1.044 324 S CA 1.519 59.675 58.200 -0.074 0.000 1.062 324 S CB -1.265 61.907 63.200 -0.046 0.000 0.931 324 S HN 0.009 nan 8.310 nan 0.000 0.440 325 L N 1.024 122.131 121.223 -0.194 0.000 2.275 325 L HA -0.026 4.314 4.340 -0.000 0.000 0.215 325 L C 2.501 179.194 176.870 -0.296 0.000 1.119 325 L CA 0.665 55.364 54.840 -0.237 0.000 0.790 325 L CB -0.464 41.417 42.059 -0.296 0.000 0.919 325 L HN 0.283 nan 8.230 nan 0.000 0.443 326 V N -0.387 119.292 119.914 -0.392 0.000 2.427 326 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 326 V C 2.088 178.064 176.094 -0.197 0.000 1.051 326 V CA 1.636 63.695 62.300 -0.402 0.000 1.048 326 V CB -0.433 31.098 31.823 -0.486 0.000 0.666 326 V HN 0.431 nan 8.190 nan 0.000 0.456 327 D N 0.134 120.449 120.400 -0.142 0.000 2.092 327 D HA -0.199 4.441 4.640 -0.000 0.000 0.193 327 D C 2.145 178.410 176.300 -0.059 0.000 0.994 327 D CA 1.482 55.434 54.000 -0.079 0.000 0.828 327 D CB -0.216 40.547 40.800 -0.062 0.000 0.963 327 D HN 0.494 nan 8.370 nan 0.000 0.450 328 E N 0.371 120.530 120.200 -0.069 0.000 2.086 328 E HA -0.170 4.180 4.350 -0.000 0.000 0.200 328 E C 2.336 178.920 176.600 -0.027 0.000 1.012 328 E CA 0.801 57.172 56.400 -0.048 0.000 0.812 328 E CB -0.204 29.461 29.700 -0.058 0.000 0.743 328 E HN 0.269 nan 8.360 nan 0.000 0.453 329 L N -0.083 121.128 121.223 -0.020 0.000 2.141 329 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 329 L C 2.303 179.218 176.870 0.075 0.000 1.094 329 L CA 0.546 55.422 54.840 0.059 0.000 0.763 329 L CB -0.434 41.712 42.059 0.144 0.000 0.908 329 L HN 0.084 nan 8.230 nan 0.000 0.437 330 V N -0.039 119.899 119.914 0.040 0.000 2.358 330 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 330 V C 2.409 178.512 176.094 0.015 0.000 1.047 330 V CA 1.621 63.946 62.300 0.042 0.000 1.035 330 V CB -1.038 30.791 31.823 0.010 0.000 0.658 330 V HN 0.452 nan 8.190 nan 0.000 0.452 331 A N 1.010 123.828 122.820 -0.003 0.000 3.187 331 A HA -0.059 4.261 4.320 -0.000 0.000 0.172 331 A C 1.058 178.631 177.584 -0.018 0.000 1.530 331 A CA 0.550 52.579 52.037 -0.012 0.000 0.741 331 A CB -0.941 18.049 19.000 -0.018 0.000 1.079 331 A HN 0.700 nan 8.150 nan 0.000 0.486 332 E N 0.485 120.672 120.200 -0.022 0.000 3.446 332 E HA 0.194 4.544 4.350 -0.000 0.000 0.221 332 E C 0.979 177.553 176.600 -0.043 0.000 1.014 332 E CA 0.311 56.694 56.400 -0.030 0.000 0.913 332 E CB -1.590 28.093 29.700 -0.028 0.000 0.913 332 E HN 1.230 nan 8.360 nan 0.000 0.561 333 G N 3.777 112.548 108.800 -0.049 0.000 2.674 333 G HA2 -0.576 3.384 3.960 -0.000 0.000 0.367 333 G HA3 -0.576 3.384 3.960 -0.000 0.000 0.367 333 G C 1.091 175.923 174.900 -0.114 0.000 1.087 333 G CA 1.763 46.818 45.100 -0.076 0.000 0.898 333 G HN 0.864 nan 8.290 nan 0.000 0.652 334 R N -1.509 118.877 120.500 -0.190 0.000 3.570 334 R HA -0.244 4.096 4.340 -0.000 0.000 0.400 334 R C 0.532 176.436 176.300 -0.659 0.000 0.601 334 R CA 2.620 58.488 56.100 -0.387 0.000 0.561 334 R CB -1.607 28.593 30.300 -0.166 0.000 0.620 334 R HN 0.831 nan 8.270 nan 0.000 0.312 335 F N -0.157 119.771 119.950 -0.036 0.000 2.532 335 F HA 0.374 4.901 4.527 -0.000 0.000 0.321 335 F C 0.597 176.384 175.800 -0.023 0.000 1.089 335 F CA -0.120 57.862 58.000 -0.028 0.000 0.926 335 F CB 1.830 40.808 39.000 -0.036 0.000 1.168 335 F HN 0.377 nan 8.300 nan 0.000 0.459 336 T N -1.269 113.387 114.554 0.170 0.000 2.813 336 T HA 0.126 4.476 4.350 -0.000 0.000 0.297 336 T C 1.119 175.878 174.700 0.098 0.000 1.036 336 T CA -0.525 61.632 62.100 0.096 0.000 1.044 336 T CB 1.151 70.064 68.868 0.075 0.000 0.993 336 T HN 0.647 nan 8.240 nan 0.000 0.535 337 K N 0.481 120.914 120.400 0.055 0.000 2.148 337 K HA -0.065 4.255 4.320 -0.000 0.000 0.204 337 K C 2.109 178.733 176.600 0.040 0.000 1.050 337 K CA 1.592 57.901 56.287 0.037 0.000 0.942 337 K CB -0.539 31.972 32.500 0.019 0.000 0.724 337 K HN 0.779 nan 8.250 nan 0.000 0.446 338 E N 1.021 121.249 120.200 0.047 0.000 2.051 338 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 338 E C 1.475 178.116 176.600 0.067 0.000 0.991 338 E CA 1.896 58.324 56.400 0.046 0.000 0.799 338 E CB -0.060 29.666 29.700 0.045 0.000 0.748 338 E HN 0.507 nan 8.360 nan 0.000 0.449 339 E N -0.375 119.890 120.200 0.108 0.000 2.028 339 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 339 E C 2.049 178.738 176.600 0.148 0.000 0.988 339 E CA 1.188 57.681 56.400 0.156 0.000 0.799 339 E CB -0.224 29.621 29.700 0.241 0.000 0.755 339 E HN 0.118 nan 8.360 nan 0.000 0.447 340 V N 1.100 121.066 119.914 0.086 0.000 3.383 340 V HA -0.135 3.985 4.120 -0.000 0.000 0.272 340 V C 1.758 177.869 176.094 0.029 0.000 1.181 340 V CA 0.965 63.271 62.300 0.011 0.000 1.171 340 V CB -0.702 31.087 31.823 -0.055 0.000 0.800 340 V HN 0.313 nan 8.190 nan 0.000 0.515 341 A N 2.015 124.849 122.820 0.023 0.000 1.829 341 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 341 A C 0.740 178.274 177.584 -0.082 0.000 1.207 341 A CA 1.977 54.001 52.037 -0.023 0.000 0.622 341 A CB -1.996 16.989 19.000 -0.024 0.000 0.846 341 A HN 0.585 nan 8.150 nan 0.000 0.447 342 P HA -0.145 nan 4.420 nan 0.000 0.220 342 P C 0.093 177.149 177.300 -0.405 0.000 1.148 342 P CA 1.074 63.937 63.100 -0.395 0.000 0.803 342 P CB -0.272 31.045 31.700 -0.639 0.000 0.782 343 Y N 0.173 120.508 120.300 0.058 0.000 2.881 343 Y HA 0.237 4.787 4.550 -0.000 0.000 0.369 343 Y C 2.301 178.364 175.900 0.273 0.000 1.066 343 Y CA -0.314 57.880 58.100 0.156 0.000 1.616 343 Y CB -0.432 38.089 38.460 0.103 0.000 1.436 343 Y HN -0.076 nan 8.280 nan 0.000 0.505 344 K N 0.829 121.377 120.400 0.246 0.000 2.031 344 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 344 K C -0.250 176.616 176.600 0.443 0.000 1.049 344 K CA 0.996 57.417 56.287 0.223 0.000 0.939 344 K CB 0.159 32.715 32.500 0.093 0.000 0.717 344 K HN 0.354 nan 8.250 nan 0.000 0.438 345 N N 0.345 119.264 118.700 0.365 0.000 2.405 345 N HA 0.250 4.990 4.740 -0.000 0.000 0.299 345 N C -1.443 174.062 175.510 -0.008 0.000 1.075 345 N CA -0.504 52.710 53.050 0.274 0.000 0.884 345 N CB 1.946 40.517 38.487 0.140 0.000 1.194 345 N HN -0.003 nan 8.380 nan 0.000 0.491 346 L N 1.127 122.196 121.223 -0.256 0.000 2.312 346 L HA 0.438 4.778 4.340 -0.000 0.000 0.281 346 L C -0.407 176.239 176.870 -0.374 0.000 1.070 346 L CA -0.322 54.111 54.840 -0.679 0.000 0.805 346 L CB 0.981 42.452 42.059 -0.980 0.000 1.174 346 L HN 0.560 nan 8.230 nan 0.000 0.434 347 S N 5.305 120.688 115.700 -0.527 0.000 2.462 347 S HA 0.609 5.079 4.470 -0.000 0.000 0.294 347 S C -0.387 173.728 174.600 -0.807 0.000 1.144 347 S CA -0.453 57.150 58.200 -0.994 0.000 1.088 347 S CB 1.361 63.913 63.200 -1.081 0.000 1.009 347 S HN 0.386 nan 8.310 nan 0.000 0.484 348 I N 3.206 123.353 120.570 -0.705 0.000 2.512 348 I HA 0.388 4.558 4.170 -0.000 0.000 0.287 348 I C -1.209 174.899 176.117 -0.014 0.000 1.069 348 I CA -0.714 60.449 61.300 -0.227 0.000 1.056 348 I CB 1.941 39.921 38.000 -0.034 0.000 1.229 348 I HN 0.294 nan 8.210 nan 0.000 0.429 349 V N 4.915 124.796 119.914 -0.056 0.000 2.487 349 V HA 0.666 4.786 4.120 -0.000 0.000 0.298 349 V C 0.397 176.491 176.094 0.001 0.000 1.028 349 V CA -0.560 61.760 62.300 0.033 0.000 0.860 349 V CB 1.712 33.543 31.823 0.013 0.000 0.991 349 V HN 0.844 nan 8.190 nan 0.000 0.427 350 G N 4.130 112.944 108.800 0.023 0.000 2.400 350 G HA2 0.744 4.704 3.960 -0.000 0.000 0.333 350 G HA3 0.744 4.704 3.960 -0.000 0.000 0.333 350 G C -1.105 173.789 174.900 -0.011 0.000 1.143 350 G CA -0.613 44.489 45.100 0.003 0.000 0.914 350 G HN 0.567 nan 8.290 nan 0.000 0.480 351 L N 1.836 123.041 121.223 -0.029 0.000 2.381 351 L HA 0.318 4.658 4.340 -0.000 0.000 0.274 351 L C -0.457 176.391 176.870 -0.036 0.000 0.988 351 L CA -1.073 53.744 54.840 -0.039 0.000 0.824 351 L CB 2.347 44.372 42.059 -0.056 0.000 1.263 351 L HN 0.194 nan 8.230 nan 0.000 0.410 352 V N 2.254 122.149 119.914 -0.032 0.000 2.356 352 V HA 0.282 4.402 4.120 -0.000 0.000 0.258 352 V C 0.876 176.948 176.094 -0.037 0.000 1.065 352 V CA -0.310 61.971 62.300 -0.031 0.000 0.935 352 V CB 0.736 32.540 31.823 -0.032 0.000 1.061 352 V HN 0.893 nan 8.190 nan 0.000 0.484 353 G N 3.233 112.011 108.800 -0.036 0.000 2.504 353 G HA2 0.543 4.503 3.960 -0.000 0.000 0.326 353 G HA3 0.543 4.503 3.960 -0.000 0.000 0.326 353 G C -0.317 174.565 174.900 -0.029 0.000 1.073 353 G CA -0.177 44.903 45.100 -0.034 0.000 1.030 353 G HN 0.750 nan 8.290 nan 0.000 0.448 354 S N 1.754 117.434 115.700 -0.032 0.000 2.543 354 S HA 0.273 4.743 4.470 -0.000 0.000 0.274 354 S C 0.738 175.315 174.600 -0.039 0.000 1.149 354 S CA -0.666 57.515 58.200 -0.031 0.000 0.866 354 S CB 0.976 64.155 63.200 -0.035 0.000 1.111 354 S HN 0.903 nan 8.310 nan 0.000 0.457 355 I N 0.120 120.679 120.570 -0.019 0.000 3.578 355 I HA 0.339 4.509 4.170 -0.000 0.000 0.295 355 I C 0.602 176.718 176.117 -0.001 0.000 1.280 355 I CA 0.339 61.636 61.300 -0.004 0.000 1.347 355 I CB -0.092 37.922 38.000 0.023 0.000 1.051 355 I HN 0.399 nan 8.210 nan 0.000 0.460 356 D N 1.580 121.968 120.400 -0.019 0.000 2.289 356 D HA -0.117 4.523 4.640 -0.000 0.000 0.207 356 D C 0.559 176.830 176.300 -0.048 0.000 0.966 356 D CA 0.533 54.538 54.000 0.010 0.000 0.868 356 D CB -0.289 40.515 40.800 0.006 0.000 0.943 356 D HN 0.432 nan 8.370 nan 0.000 0.514 357 N N 1.839 120.429 118.700 -0.182 0.000 2.725 357 N HA -0.177 4.563 4.740 -0.000 0.000 0.251 357 N C -0.749 174.646 175.510 -0.192 0.000 1.031 357 N CA 0.822 53.661 53.050 -0.352 0.000 0.720 357 N CB -0.808 37.123 38.487 -0.926 0.000 0.930 357 N HN 0.233 nan 8.380 nan 0.000 0.543 358 D N -1.350 118.998 120.400 -0.087 0.000 2.501 358 D HA 0.086 4.726 4.640 -0.000 0.000 0.226 358 D C 0.158 176.438 176.300 -0.034 0.000 1.198 358 D CA -0.182 53.798 54.000 -0.032 0.000 0.830 358 D CB -0.044 40.761 40.800 0.009 0.000 1.014 358 D HN 0.232 nan 8.370 nan 0.000 0.496 359 M N 1.665 121.232 119.600 -0.056 0.000 2.754 359 M HA 0.164 4.644 4.480 -0.000 0.000 0.327 359 M C -0.082 176.199 176.300 -0.033 0.000 1.288 359 M CA -0.372 54.907 55.300 -0.036 0.000 1.324 359 M CB 0.510 33.088 32.600 -0.037 0.000 1.169 359 M HN -0.022 nan 8.290 nan 0.000 0.494 360 S N 1.535 117.220 115.700 -0.025 0.000 2.593 360 S HA 0.270 4.739 4.470 -0.000 0.000 0.300 360 S C 1.274 175.870 174.600 -0.006 0.000 1.267 360 S CA 1.741 59.930 58.200 -0.018 0.000 1.065 360 S CB 0.149 63.338 63.200 -0.018 0.000 0.807 360 S HN 1.006 nan 8.310 nan 0.000 0.499 361 G N 2.934 111.735 108.800 0.002 0.000 2.796 361 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.198 361 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.198 361 G C 0.300 175.208 174.900 0.015 0.000 1.062 361 G CA 0.149 45.255 45.100 0.010 0.000 0.752 361 G HN 1.092 nan 8.290 nan 0.000 0.487 362 T N 0.460 115.016 114.554 0.003 0.000 2.856 362 T HA 0.547 4.897 4.350 -0.000 0.000 0.283 362 T C 0.475 175.173 174.700 -0.003 0.000 1.008 362 T CA 0.191 62.295 62.100 0.007 0.000 0.997 362 T CB 1.532 70.397 68.868 -0.004 0.000 0.992 362 T HN -0.006 nan 8.240 nan 0.000 0.454 363 D N 1.833 122.250 120.400 0.028 0.000 2.269 363 D HA 0.079 4.719 4.640 -0.000 0.000 0.208 363 D C 0.266 176.538 176.300 -0.047 0.000 0.963 363 D CA 0.903 54.921 54.000 0.031 0.000 0.864 363 D CB 0.409 41.270 40.800 0.101 0.000 0.936 363 D HN 0.418 nan 8.370 nan 0.000 0.505 364 S N -0.720 114.956 115.700 -0.039 0.000 2.566 364 S HA 0.329 4.799 4.470 -0.000 0.000 0.273 364 S C -0.772 173.778 174.600 -0.084 0.000 1.157 364 S CA -0.795 57.339 58.200 -0.111 0.000 0.938 364 S CB 1.386 64.674 63.200 0.145 0.000 1.087 364 S HN 0.067 nan 8.310 nan 0.000 0.474 365 T N 2.617 117.058 114.554 -0.189 0.000 2.837 365 T HA 0.589 4.939 4.350 -0.000 0.000 0.285 365 T C 0.461 175.134 174.700 -0.046 0.000 0.984 365 T CA -0.744 61.291 62.100 -0.108 0.000 1.049 365 T CB 0.311 69.097 68.868 -0.135 0.000 0.947 365 T HN 0.622 nan 8.240 nan 0.000 0.472 366 I N 3.036 123.602 120.570 -0.006 0.000 2.906 366 I HA 0.182 4.352 4.170 -0.000 0.000 0.301 366 I C 1.664 177.796 176.117 0.025 0.000 1.221 366 I CA 1.505 62.822 61.300 0.028 0.000 1.435 366 I CB -0.257 37.741 38.000 -0.005 0.000 1.345 366 I HN 1.184 nan 8.210 nan 0.000 0.558 367 G N 4.204 113.049 108.800 0.075 0.000 2.234 367 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.235 367 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.235 367 G C 1.055 175.990 174.900 0.059 0.000 0.997 367 G CA 0.447 45.587 45.100 0.066 0.000 0.623 367 G HN 0.810 nan 8.290 nan 0.000 0.514 368 A N -0.175 122.638 122.820 -0.012 0.000 1.877 368 A HA 0.172 4.492 4.320 -0.000 0.000 0.216 368 A C 1.933 179.565 177.584 0.080 0.000 1.186 368 A CA 2.167 54.153 52.037 -0.085 0.000 0.620 368 A CB -0.564 18.136 19.000 -0.499 0.000 0.822 368 A HN 0.744 nan 8.150 nan 0.000 0.443 369 Y N 0.430 120.791 120.300 0.102 0.000 2.242 369 Y HA -0.176 4.374 4.550 -0.000 0.000 0.291 369 Y C 3.070 179.030 175.900 0.101 0.000 1.137 369 Y CA 1.193 59.365 58.100 0.121 0.000 1.181 369 Y CB -0.036 38.392 38.460 -0.053 0.000 0.989 369 Y HN 0.313 nan 8.280 nan 0.000 0.527 370 S N 0.018 115.868 115.700 0.250 0.000 2.353 370 S HA -0.296 4.174 4.470 -0.000 0.000 0.222 370 S C 2.323 176.997 174.600 0.123 0.000 1.035 370 S CA 1.200 59.496 58.200 0.159 0.000 1.025 370 S CB -0.746 62.526 63.200 0.121 0.000 0.902 370 S HN 0.549 nan 8.310 nan 0.000 0.440 371 A N 1.363 124.252 122.820 0.115 0.000 1.940 371 A HA -0.106 4.213 4.320 -0.000 0.000 0.219 371 A C 2.128 179.768 177.584 0.093 0.000 1.176 371 A CA 1.596 53.686 52.037 0.089 0.000 0.631 371 A CB -0.778 18.270 19.000 0.081 0.000 0.814 371 A HN 0.414 nan 8.150 nan 0.000 0.446 372 L N -0.135 121.171 121.223 0.138 0.000 2.012 372 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 372 L C 2.223 179.130 176.870 0.062 0.000 1.073 372 L CA 2.845 57.741 54.840 0.093 0.000 0.748 372 L CB -0.846 41.295 42.059 0.137 0.000 0.891 372 L HN 0.435 nan 8.230 nan 0.000 0.431 373 E N -0.264 119.992 120.200 0.093 0.000 2.070 373 E HA -0.267 4.083 4.350 -0.000 0.000 0.197 373 E C 2.357 178.972 176.600 0.025 0.000 1.004 373 E CA 1.311 57.741 56.400 0.051 0.000 0.805 373 E CB -0.185 29.551 29.700 0.060 0.000 0.744 373 E HN 0.253 nan 8.360 nan 0.000 0.451 374 R N 0.015 120.540 120.500 0.041 0.000 2.091 374 R HA -0.032 4.308 4.340 -0.000 0.000 0.238 374 R C 2.344 178.659 176.300 0.025 0.000 1.136 374 R CA 1.333 57.455 56.100 0.035 0.000 0.959 374 R CB -0.618 29.711 30.300 0.047 0.000 0.856 374 R HN 0.325 nan 8.270 nan 0.000 0.437 375 I N -0.803 119.780 120.570 0.020 0.000 2.127 375 I HA -0.405 3.765 4.170 -0.000 0.000 0.241 375 I C 2.216 178.329 176.117 -0.007 0.000 1.075 375 I CA 1.415 62.721 61.300 0.010 0.000 1.334 375 I CB -0.438 37.560 38.000 -0.004 0.000 1.040 375 I HN 0.199 nan 8.210 nan 0.000 0.405 376 C N 0.550 119.837 119.300 -0.021 0.000 2.398 376 C HA -0.224 4.236 4.460 -0.000 0.000 0.276 376 C C 2.814 177.754 174.990 -0.084 0.000 1.222 376 C CA 1.404 60.399 59.018 -0.039 0.000 1.746 376 C CB -1.132 26.586 27.740 -0.036 0.000 2.039 376 C HN 0.550 nan 8.230 nan 0.000 0.470 377 E N 0.164 120.304 120.200 -0.101 0.000 2.049 377 E HA -0.250 4.100 4.350 -0.000 0.000 0.198 377 E C 2.150 178.575 176.600 -0.292 0.000 1.007 377 E CA 1.542 57.809 56.400 -0.222 0.000 0.809 377 E CB -0.113 29.508 29.700 -0.132 0.000 0.749 377 E HN 0.417 nan 8.360 nan 0.000 0.450 378 M N 0.315 119.891 119.600 -0.040 0.000 2.117 378 M HA -0.120 4.359 4.480 -0.000 0.000 0.262 378 M C 2.429 178.763 176.300 0.056 0.000 1.065 378 M CA 0.934 56.306 55.300 0.119 0.000 1.114 378 M CB -0.963 31.714 32.600 0.129 0.000 1.361 378 M HN 0.105 nan 8.290 nan 0.000 0.408 379 V N 0.618 120.531 119.914 -0.002 0.000 2.427 379 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 379 V C 1.990 178.065 176.094 -0.031 0.000 1.051 379 V CA 1.683 63.980 62.300 -0.004 0.000 1.048 379 V CB -0.854 30.974 31.823 0.007 0.000 0.666 379 V HN 0.316 nan 8.190 nan 0.000 0.456 380 D N -0.674 119.673 120.400 -0.088 0.000 2.123 380 D HA -0.188 4.451 4.640 -0.000 0.000 0.196 380 D C 2.053 178.293 176.300 -0.100 0.000 0.992 380 D CA 1.643 55.571 54.000 -0.121 0.000 0.833 380 D CB -0.319 40.343 40.800 -0.231 0.000 0.954 380 D HN 0.576 nan 8.370 nan 0.000 0.455 381 Y N 0.859 121.135 120.300 -0.039 0.000 2.070 381 Y HA -0.161 4.389 4.550 -0.000 0.000 0.280 381 Y C 2.631 178.474 175.900 -0.096 0.000 1.148 381 Y CA 0.466 58.534 58.100 -0.052 0.000 1.125 381 Y CB -0.262 38.174 38.460 -0.040 0.000 0.975 381 Y HN -0.081 nan 8.280 nan 0.000 0.492 382 I N 0.097 120.690 120.570 0.037 0.000 2.145 382 I HA -0.392 3.778 4.170 -0.000 0.000 0.244 382 I C 1.909 177.880 176.117 -0.244 0.000 1.075 382 I CA 1.491 62.665 61.300 -0.211 0.000 1.332 382 I CB -0.533 37.281 38.000 -0.311 0.000 1.033 382 I HN 0.297 nan 8.210 nan 0.000 0.410 383 D N 1.069 121.397 120.400 -0.120 0.000 2.157 383 D HA -0.255 4.385 4.640 -0.000 0.000 0.191 383 D C 2.211 178.485 176.300 -0.044 0.000 1.004 383 D CA 1.856 55.819 54.000 -0.062 0.000 0.854 383 D CB -0.331 40.472 40.800 0.006 0.000 0.936 383 D HN 0.434 nan 8.370 nan 0.000 0.446 384 A N -0.030 122.776 122.820 -0.023 0.000 1.869 384 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 384 A C 2.407 179.980 177.584 -0.018 0.000 1.203 384 A CA 3.005 55.038 52.037 -0.006 0.000 0.638 384 A CB -1.281 17.732 19.000 0.021 0.000 0.831 384 A HN 0.341 nan 8.150 nan 0.000 0.450 385 T N -1.001 113.535 114.554 -0.030 0.000 2.777 385 T HA 0.051 4.401 4.350 -0.000 0.000 0.266 385 T C 2.008 176.745 174.700 0.063 0.000 1.040 385 T CA 1.991 64.100 62.100 0.015 0.000 1.141 385 T CB -0.536 68.358 68.868 0.044 0.000 0.868 385 T HN 0.604 nan 8.240 nan 0.000 0.444 386 A N 2.090 124.880 122.820 -0.049 0.000 1.883 386 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 386 A C 2.338 180.006 177.584 0.139 0.000 1.186 386 A CA 2.187 54.288 52.037 0.106 0.000 0.624 386 A CB -0.791 18.185 19.000 -0.041 0.000 0.822 386 A HN 0.539 nan 8.150 nan 0.000 0.444 387 K N 0.069 120.505 120.400 0.060 0.000 2.032 387 K HA -0.155 4.164 4.320 -0.000 0.000 0.209 387 K C 2.187 178.803 176.600 0.027 0.000 1.048 387 K CA 1.914 58.234 56.287 0.054 0.000 0.927 387 K CB -0.392 32.127 32.500 0.031 0.000 0.712 387 K HN 0.429 nan 8.250 nan 0.000 0.441 388 S N 0.357 116.037 115.700 -0.035 0.000 2.365 388 S HA -0.138 4.332 4.470 -0.000 0.000 0.225 388 S C 1.456 175.941 174.600 -0.191 0.000 1.039 388 S CA 1.114 59.219 58.200 -0.160 0.000 1.033 388 S CB -0.355 62.654 63.200 -0.319 0.000 0.887 388 S HN 0.450 nan 8.310 nan 0.000 0.447 389 H N 0.687 119.811 119.070 0.090 0.000 2.517 389 H HA 0.346 4.902 4.556 -0.000 0.000 0.282 389 H C 0.479 175.868 175.328 0.101 0.000 1.023 389 H CA 0.125 56.230 56.048 0.095 0.000 1.169 389 H CB -0.157 29.674 29.762 0.115 0.000 1.454 389 H HN 0.196 nan 8.280 nan 0.000 0.556 390 S N 1.138 116.942 115.700 0.172 0.000 3.486 390 S HA -0.232 4.238 4.470 -0.000 0.000 0.371 390 S C 0.888 175.592 174.600 0.173 0.000 1.001 390 S CA 0.550 58.839 58.200 0.149 0.000 1.164 390 S CB -0.946 62.321 63.200 0.112 0.000 0.911 390 S HN 0.529 nan 8.310 nan 0.000 0.472 391 R N 0.540 121.182 120.500 0.236 0.000 2.523 391 R HA 0.789 5.129 4.340 -0.000 0.000 0.229 391 R C 0.202 176.645 176.300 0.239 0.000 1.265 391 R CA -0.117 56.117 56.100 0.222 0.000 1.081 391 R CB 0.535 31.006 30.300 0.285 0.000 1.540 391 R HN 0.327 nan 8.270 nan 0.000 0.560 392 A N 0.774 123.702 122.820 0.179 0.000 2.398 392 A HA 0.627 4.947 4.320 -0.000 0.000 0.301 392 A C -1.512 176.145 177.584 0.121 0.000 1.041 392 A CA -0.501 51.649 52.037 0.189 0.000 0.711 392 A CB 0.783 19.843 19.000 0.098 0.000 1.240 392 A HN 0.419 nan 8.150 nan 0.000 0.420 393 F N 1.536 121.536 119.950 0.083 0.000 2.482 393 F HA 0.528 5.055 4.527 -0.000 0.000 0.331 393 F C 0.055 175.900 175.800 0.075 0.000 1.115 393 F CA -0.653 57.391 58.000 0.073 0.000 0.955 393 F CB 2.450 41.495 39.000 0.075 0.000 1.136 393 F HN 0.289 nan 8.300 nan 0.000 0.452 394 V N 4.975 124.966 119.914 0.128 0.000 2.333 394 V HA 0.376 4.496 4.120 -0.000 0.000 0.274 394 V C -0.411 175.760 176.094 0.128 0.000 1.028 394 V CA -0.747 61.619 62.300 0.111 0.000 0.851 394 V CB 1.136 32.976 31.823 0.028 0.000 1.000 394 V HN 0.461 nan 8.190 nan 0.000 0.456 395 V N 4.612 124.612 119.914 0.143 0.000 2.394 395 V HA 0.367 4.487 4.120 -0.000 0.000 0.282 395 V C 0.215 176.351 176.094 0.070 0.000 1.031 395 V CA -0.532 61.840 62.300 0.121 0.000 0.881 395 V CB 1.638 33.534 31.823 0.122 0.000 0.982 395 V HN 0.926 nan 8.190 nan 0.000 0.451 396 E N 4.032 124.262 120.200 0.049 0.000 2.174 396 E HA 0.570 4.920 4.350 -0.000 0.000 0.282 396 E C -0.911 175.697 176.600 0.013 0.000 0.992 396 E CA -0.488 55.925 56.400 0.020 0.000 0.803 396 E CB 1.745 31.448 29.700 0.005 0.000 1.090 396 E HN 0.646 nan 8.360 nan 0.000 0.396 397 V N 1.705 121.621 119.914 0.004 0.000 2.769 397 V HA 0.501 4.621 4.120 -0.000 0.000 0.312 397 V C 0.406 176.490 176.094 -0.017 0.000 1.061 397 V CA -1.106 61.191 62.300 -0.006 0.000 0.931 397 V CB 1.576 33.396 31.823 -0.004 0.000 1.010 397 V HN 0.757 nan 8.190 nan 0.000 0.433 398 M N 2.234 121.815 119.600 -0.033 0.000 2.061 398 M HA 0.447 4.927 4.480 -0.000 0.000 0.266 398 M C 1.289 177.582 176.300 -0.013 0.000 1.284 398 M CA 1.350 56.622 55.300 -0.047 0.000 1.112 398 M CB 0.258 32.813 32.600 -0.074 0.000 1.365 398 M HN 1.233 nan 8.290 nan 0.000 0.453 399 G N -0.700 108.089 108.800 -0.019 0.000 3.288 399 G HA2 0.003 3.963 3.960 -0.000 0.000 0.219 399 G HA3 0.003 3.963 3.960 -0.000 0.000 0.219 399 G C 0.279 175.167 174.900 -0.020 0.000 0.944 399 G CA 0.342 45.454 45.100 0.020 0.000 0.854 399 G HN 0.736 nan 8.290 nan 0.000 0.632 400 R N -0.366 120.075 120.500 -0.098 0.000 3.943 400 R HA -0.298 4.042 4.340 -0.000 0.000 0.368 400 R C 0.411 176.522 176.300 -0.314 0.000 0.242 400 R CA 2.386 58.340 56.100 -0.243 0.000 1.197 400 R CB -1.613 28.591 30.300 -0.160 0.000 0.990 400 R HN 0.443 nan 8.270 nan 0.000 0.565 401 H N -1.145 117.943 119.070 0.030 0.000 2.488 401 H HA 0.372 4.928 4.556 -0.000 0.000 0.294 401 H C -0.431 174.920 175.328 0.038 0.000 1.088 401 H CA 0.346 56.413 56.048 0.031 0.000 1.086 401 H CB -0.260 29.517 29.762 0.024 0.000 1.569 401 H HN 0.354 nan 8.280 nan 0.000 0.548 402 C N 0.116 119.487 119.300 0.118 0.000 2.408 402 C HA 0.616 5.076 4.460 -0.000 0.000 0.321 402 C C 1.679 176.781 174.990 0.187 0.000 1.245 402 C CA -0.394 58.709 59.018 0.141 0.000 1.523 402 C CB 0.419 28.240 27.740 0.136 0.000 2.178 402 C HN 0.617 nan 8.230 nan 0.000 0.488 403 G N 2.548 111.504 108.800 0.259 0.000 3.284 403 G HA2 0.017 3.977 3.960 -0.000 0.000 0.236 403 G HA3 0.017 3.977 3.960 -0.000 0.000 0.236 403 G C 0.876 175.954 174.900 0.297 0.000 1.158 403 G CA 0.007 45.260 45.100 0.255 0.000 0.774 403 G HN 0.963 nan 8.290 nan 0.000 0.545 404 W N 0.773 122.241 121.300 0.280 0.000 2.317 404 W HA -0.168 4.492 4.660 -0.000 0.000 0.318 404 W C 1.986 178.466 176.519 -0.065 0.000 1.227 404 W CA 1.147 58.568 57.345 0.127 0.000 1.269 404 W CB -0.221 29.331 29.460 0.153 0.000 1.155 404 W HN 0.166 nan 8.180 nan 0.000 0.484 405 L N 0.993 122.340 121.223 0.208 0.000 2.013 405 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 405 L C 2.631 179.393 176.870 -0.180 0.000 1.073 405 L CA 2.582 57.421 54.840 -0.002 0.000 0.753 405 L CB -1.855 40.281 42.059 0.128 0.000 0.890 405 L HN 0.162 nan 8.230 nan 0.000 0.432 406 A N -1.176 121.580 122.820 -0.107 0.000 1.873 406 A HA -0.196 4.124 4.320 -0.000 0.000 0.215 406 A C 2.243 179.655 177.584 -0.288 0.000 1.186 406 A CA 1.704 53.656 52.037 -0.142 0.000 0.616 406 A CB -0.916 18.047 19.000 -0.062 0.000 0.823 406 A HN 0.366 nan 8.150 nan 0.000 0.442 407 L N -0.637 120.377 121.223 -0.347 0.000 2.012 407 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 407 L C 2.415 178.935 176.870 -0.584 0.000 1.073 407 L CA 2.203 56.739 54.840 -0.507 0.000 0.748 407 L CB -0.541 41.170 42.059 -0.580 0.000 0.891 407 L HN 0.324 nan 8.230 nan 0.000 0.431 408 M N -0.375 118.794 119.600 -0.718 0.000 2.065 408 M HA -0.189 4.291 4.480 -0.000 0.000 0.259 408 M C 2.470 178.527 176.300 -0.404 0.000 1.071 408 M CA 2.077 56.974 55.300 -0.670 0.000 1.109 408 M CB -1.816 30.176 32.600 -1.013 0.000 1.313 408 M HN 0.457 nan 8.290 nan 0.000 0.408 409 A N 0.288 122.903 122.820 -0.343 0.000 1.986 409 A HA -0.080 4.240 4.320 -0.000 0.000 0.220 409 A C 2.406 179.875 177.584 -0.192 0.000 1.171 409 A CA 2.104 54.018 52.037 -0.205 0.000 0.640 409 A CB -1.468 17.442 19.000 -0.150 0.000 0.811 409 A HN 0.585 nan 8.150 nan 0.000 0.451 410 G N 0.058 108.679 108.800 -0.299 0.000 2.433 410 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.216 410 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.216 410 G C 1.526 176.348 174.900 -0.130 0.000 1.186 410 G CA 1.129 46.023 45.100 -0.343 0.000 0.779 410 G HN 0.483 nan 8.290 nan 0.000 0.543 411 I N 1.468 121.949 120.570 -0.148 0.000 2.202 411 I HA -0.129 4.041 4.170 -0.000 0.000 0.242 411 I C 3.172 179.275 176.117 -0.023 0.000 1.091 411 I CA 1.012 62.339 61.300 0.045 0.000 1.368 411 I CB -0.158 37.827 38.000 -0.025 0.000 1.058 411 I HN 0.230 nan 8.210 nan 0.000 0.410 412 A N 0.115 122.891 122.820 -0.074 0.000 2.172 412 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 412 A C 1.982 179.594 177.584 0.047 0.000 1.154 412 A CA 1.857 53.882 52.037 -0.020 0.000 0.701 412 A CB -0.837 18.134 19.000 -0.049 0.000 0.789 412 A HN 0.543 nan 8.150 nan 0.000 0.465 413 T N -5.582 108.931 114.554 -0.067 0.000 3.091 413 T HA 0.434 4.784 4.350 -0.000 0.000 0.277 413 T C 1.093 175.424 174.700 -0.615 0.000 0.996 413 T CA 0.876 62.888 62.100 -0.146 0.000 0.897 413 T CB 0.040 68.885 68.868 -0.038 0.000 1.109 413 T HN 1.592 nan 8.240 nan 0.000 0.534 414 G N 1.770 110.229 108.800 -0.569 0.000 2.249 414 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.273 414 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.273 414 G C 0.399 175.201 174.900 -0.164 0.000 1.036 414 G CA -0.057 44.742 45.100 -0.502 0.000 0.824 414 G HN 1.261 nan 8.290 nan 0.000 0.504 415 A N -0.613 122.220 122.820 0.022 0.000 2.507 415 A HA 0.432 4.752 4.320 -0.000 0.000 0.235 415 A C 1.309 179.059 177.584 0.276 0.000 1.070 415 A CA 0.865 53.005 52.037 0.171 0.000 0.768 415 A CB 0.320 19.441 19.000 0.201 0.000 1.011 415 A HN 0.352 nan 8.150 nan 0.000 0.502 416 D N -1.181 119.409 120.400 0.317 0.000 2.289 416 D HA 0.120 4.760 4.640 -0.000 0.000 0.207 416 D C -0.674 175.912 176.300 0.477 0.000 0.966 416 D CA 1.619 55.861 54.000 0.402 0.000 0.868 416 D CB 0.177 41.197 40.800 0.366 0.000 0.943 416 D HN 0.534 nan 8.370 nan 0.000 0.514 417 Y N -0.626 119.852 120.300 0.298 0.000 2.687 417 Y HA 0.230 4.780 4.550 -0.000 0.000 0.338 417 Y C -1.303 174.675 175.900 0.131 0.000 1.189 417 Y CA -1.122 57.121 58.100 0.238 0.000 1.097 417 Y CB 1.139 39.648 38.460 0.082 0.000 1.342 417 Y HN -0.255 nan 8.280 nan 0.000 0.461 418 I N -0.816 119.736 120.570 -0.030 0.000 3.239 418 I HA 0.752 4.921 4.170 -0.000 0.000 0.314 418 I C -1.826 174.087 176.117 -0.340 0.000 1.126 418 I CA -1.174 60.039 61.300 -0.144 0.000 0.973 418 I CB 3.010 40.753 38.000 -0.428 0.000 1.252 418 I HN 0.441 nan 8.210 nan 0.000 0.463 419 F N 3.337 123.271 119.950 -0.027 0.000 2.745 419 F HA 0.586 5.113 4.527 -0.000 0.000 0.343 419 F C -0.442 175.317 175.800 -0.067 0.000 1.196 419 F CA -0.499 57.467 58.000 -0.056 0.000 1.021 419 F CB 1.803 40.737 39.000 -0.111 0.000 1.297 419 F HN 0.384 nan 8.300 nan 0.000 0.486 420 I N 1.544 122.141 120.570 0.045 0.000 2.689 420 I HA 0.584 4.754 4.170 -0.000 0.000 0.299 420 I C -2.110 174.003 176.117 -0.007 0.000 1.059 420 I CA -2.439 58.887 61.300 0.043 0.000 1.055 420 I CB 2.577 40.616 38.000 0.066 0.000 1.243 420 I HN 0.104 nan 8.210 nan 0.000 0.425 421 P HA -0.186 nan 4.420 nan 0.000 0.215 421 P C 0.887 178.156 177.300 -0.051 0.000 1.157 421 P CA 1.624 64.724 63.100 0.000 0.000 0.868 421 P CB 0.135 31.881 31.700 0.077 0.000 0.788 422 E N -0.814 119.370 120.200 -0.026 0.000 2.492 422 E HA -0.139 4.211 4.350 -0.000 0.000 0.204 422 E C 0.803 177.320 176.600 -0.139 0.000 1.073 422 E CA 0.847 57.209 56.400 -0.063 0.000 0.887 422 E CB -0.579 29.009 29.700 -0.187 0.000 0.813 422 E HN 0.127 nan 8.360 nan 0.000 0.562 423 R N -0.593 119.754 120.500 -0.255 0.000 2.533 423 R HA 0.337 4.677 4.340 -0.000 0.000 0.268 423 R C -1.200 174.846 176.300 -0.423 0.000 1.303 423 R CA 0.041 55.917 56.100 -0.373 0.000 1.429 423 R CB 0.354 30.347 30.300 -0.510 0.000 1.361 423 R HN 0.088 nan 8.270 nan 0.000 0.745 424 A N 0.805 123.184 122.820 -0.735 0.000 2.600 424 A HA 0.098 4.418 4.320 -0.000 0.000 0.244 424 A C 0.786 178.175 177.584 -0.325 0.000 1.016 424 A CA 0.461 52.124 52.037 -0.623 0.000 0.778 424 A CB -0.235 18.081 19.000 -1.141 0.000 0.920 424 A HN 0.400 nan 8.150 nan 0.000 0.513 425 V N 0.980 120.823 119.914 -0.117 0.000 3.051 425 V HA 0.364 4.484 4.120 -0.000 0.000 0.306 425 V C -2.353 173.844 176.094 0.172 0.000 1.083 425 V CA -2.104 60.220 62.300 0.040 0.000 1.104 425 V CB 0.081 31.948 31.823 0.073 0.000 1.027 425 V HN 0.704 nan 8.190 nan 0.000 0.483 426 P HA -0.018 nan 4.420 nan 0.000 0.250 426 P C 0.685 178.161 177.300 0.294 0.000 1.161 426 P CA 0.898 64.125 63.100 0.212 0.000 0.863 426 P CB -0.223 31.578 31.700 0.169 0.000 0.827 427 H N 3.722 122.941 119.070 0.247 0.000 2.421 427 H HA -0.255 4.301 4.556 -0.000 0.000 0.287 427 H C 1.527 176.990 175.328 0.226 0.000 1.129 427 H CA 2.605 58.805 56.048 0.255 0.000 1.179 427 H CB -0.755 29.109 29.762 0.170 0.000 1.352 427 H HN 0.428 nan 8.280 nan 0.000 0.488 428 G N -1.465 107.014 108.800 -0.534 0.000 2.727 428 G HA2 0.071 4.031 3.960 -0.000 0.000 0.207 428 G HA3 0.071 4.031 3.960 -0.000 0.000 0.207 428 G C 1.287 175.997 174.900 -0.317 0.000 1.060 428 G CA 0.043 44.893 45.100 -0.418 0.000 0.814 428 G HN 0.371 nan 8.290 nan 0.000 0.576 429 K N 0.891 121.163 120.400 -0.213 0.000 2.379 429 K HA 0.131 4.451 4.320 -0.000 0.000 0.194 429 K C 1.978 178.526 176.600 -0.087 0.000 1.031 429 K CA 0.244 56.443 56.287 -0.147 0.000 1.037 429 K CB -0.115 32.347 32.500 -0.063 0.000 0.824 429 K HN 0.593 nan 8.250 nan 0.000 0.516 430 W N 2.621 123.946 121.300 0.042 0.000 2.350 430 W HA -0.253 4.407 4.660 -0.000 0.000 0.289 430 W C 0.862 177.411 176.519 0.050 0.000 1.215 430 W CA 0.906 58.310 57.345 0.099 0.000 1.236 430 W CB -0.641 28.949 29.460 0.217 0.000 1.130 430 W HN 0.092 nan 8.180 nan 0.000 0.541 431 Q N 0.945 120.342 119.800 -0.672 0.000 2.226 431 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 431 Q C 1.049 176.932 176.000 -0.195 0.000 0.975 431 Q CA 1.744 57.230 55.803 -0.530 0.000 0.866 431 Q CB -0.876 27.347 28.738 -0.859 0.000 0.915 431 Q HN 0.281 nan 8.270 nan 0.000 0.440 432 D N 1.286 121.585 120.400 -0.167 0.000 2.149 432 D HA -0.057 4.583 4.640 -0.000 0.000 0.206 432 D C 1.826 178.094 176.300 -0.053 0.000 0.967 432 D CA 0.940 54.879 54.000 -0.102 0.000 0.848 432 D CB 0.071 40.814 40.800 -0.095 0.000 0.998 432 D HN 0.352 nan 8.370 nan 0.000 0.474 433 E N 0.320 120.522 120.200 0.002 0.000 2.086 433 E HA -0.227 4.123 4.350 -0.000 0.000 0.200 433 E C 2.041 178.610 176.600 -0.052 0.000 1.012 433 E CA 0.741 57.174 56.400 0.055 0.000 0.812 433 E CB -0.219 29.602 29.700 0.202 0.000 0.743 433 E HN 0.162 nan 8.360 nan 0.000 0.453 434 L N 1.810 122.907 121.223 -0.210 0.000 1.970 434 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 434 L C 2.015 178.759 176.870 -0.211 0.000 1.071 434 L CA 2.010 56.553 54.840 -0.495 0.000 0.751 434 L CB -0.400 41.484 42.059 -0.292 0.000 0.889 434 L HN -0.079 nan 8.230 nan 0.000 0.432 435 K N -0.659 119.676 120.400 -0.109 0.000 2.074 435 K HA -0.229 4.091 4.320 -0.000 0.000 0.209 435 K C 2.128 178.675 176.600 -0.087 0.000 1.048 435 K CA 1.644 57.884 56.287 -0.078 0.000 0.926 435 K CB -0.341 32.119 32.500 -0.067 0.000 0.713 435 K HN 0.403 nan 8.250 nan 0.000 0.444 436 E N 0.765 120.914 120.200 -0.085 0.000 2.021 436 E HA -0.199 4.151 4.350 -0.000 0.000 0.200 436 E C 2.161 178.686 176.600 -0.125 0.000 1.015 436 E CA 1.423 57.773 56.400 -0.083 0.000 0.824 436 E CB -0.320 29.346 29.700 -0.056 0.000 0.762 436 E HN 0.041 nan 8.360 nan 0.000 0.454 437 V N 1.041 120.875 119.914 -0.135 0.000 2.220 437 V HA -0.397 3.723 4.120 -0.000 0.000 0.250 437 V C 2.755 178.617 176.094 -0.386 0.000 1.056 437 V CA 2.182 64.328 62.300 -0.258 0.000 1.016 437 V CB -0.934 30.829 31.823 -0.100 0.000 0.639 437 V HN 0.385 nan 8.190 nan 0.000 0.446 438 C N -0.841 118.340 119.300 -0.198 0.000 2.398 438 C HA -0.240 4.219 4.460 -0.000 0.000 0.276 438 C C 2.846 177.795 174.990 -0.068 0.000 1.222 438 C CA 1.522 60.488 59.018 -0.086 0.000 1.746 438 C CB -1.091 26.644 27.740 -0.008 0.000 2.039 438 C HN 0.650 nan 8.230 nan 0.000 0.470 439 Q N 1.056 120.807 119.800 -0.082 0.000 2.045 439 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 439 Q C 2.341 178.290 176.000 -0.085 0.000 0.991 439 Q CA 1.996 57.761 55.803 -0.063 0.000 0.851 439 Q CB -0.508 28.190 28.738 -0.066 0.000 0.911 439 Q HN 0.637 nan 8.270 nan 0.000 0.418 440 R N -1.292 119.124 120.500 -0.140 0.000 2.094 440 R HA -0.202 4.138 4.340 -0.000 0.000 0.239 440 R C 2.248 178.442 176.300 -0.176 0.000 1.137 440 R CA 2.057 58.056 56.100 -0.169 0.000 0.943 440 R CB -0.446 29.735 30.300 -0.199 0.000 0.850 440 R HN 0.596 nan 8.270 nan 0.000 0.433 441 H N -0.789 118.143 119.070 -0.230 0.000 2.352 441 H HA -0.084 4.472 4.556 -0.000 0.000 0.299 441 H C 2.339 177.564 175.328 -0.171 0.000 1.097 441 H CA 1.403 57.264 56.048 -0.311 0.000 1.311 441 H CB 0.063 29.845 29.762 0.033 0.000 1.377 441 H HN 0.243 nan 8.280 nan 0.000 0.504 442 R N 0.577 121.122 120.500 0.076 0.000 2.120 442 R HA -0.103 4.237 4.340 -0.000 0.000 0.234 442 R C 2.661 178.969 176.300 0.013 0.000 1.123 442 R CA 1.414 57.556 56.100 0.070 0.000 0.975 442 R CB -0.133 30.203 30.300 0.059 0.000 0.866 442 R HN 0.365 nan 8.270 nan 0.000 0.446 443 S N 1.043 116.714 115.700 -0.048 0.000 2.406 443 S HA -0.077 4.393 4.470 -0.000 0.000 0.228 443 S C 1.634 176.185 174.600 -0.082 0.000 1.020 443 S CA 0.788 58.952 58.200 -0.060 0.000 0.965 443 S CB -0.027 63.124 63.200 -0.081 0.000 0.798 443 S HN 0.215 nan 8.310 nan 0.000 0.488 444 K N 1.000 121.293 120.400 -0.180 0.000 2.555 444 K HA 0.200 4.520 4.320 -0.000 0.000 0.193 444 K C 1.287 177.922 176.600 0.059 0.000 1.032 444 K CA 0.449 56.614 56.287 -0.203 0.000 1.004 444 K CB -0.153 31.902 32.500 -0.742 0.000 0.804 444 K HN 0.627 nan 8.250 nan 0.000 0.496 445 G N 1.539 110.394 108.800 0.092 0.000 2.255 445 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.196 445 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.196 445 G C 0.021 175.044 174.900 0.206 0.000 0.998 445 G CA -0.298 44.895 45.100 0.156 0.000 0.656 445 G HN 0.326 nan 8.290 nan 0.000 0.490 446 R N 1.071 121.757 120.500 0.309 0.000 2.522 446 R HA 0.470 4.810 4.340 -0.000 0.000 0.284 446 R C 1.635 178.042 176.300 0.179 0.000 1.032 446 R CA 0.291 56.559 56.100 0.281 0.000 1.049 446 R CB 0.223 30.762 30.300 0.398 0.000 0.956 446 R HN 0.399 nan 8.270 nan 0.000 0.422 447 R N 2.146 122.732 120.500 0.143 0.000 2.112 447 R HA 0.011 4.351 4.340 -0.000 0.000 0.216 447 R C 0.091 176.472 176.300 0.136 0.000 1.080 447 R CA 1.173 57.345 56.100 0.120 0.000 0.996 447 R CB -0.008 30.350 30.300 0.097 0.000 0.902 447 R HN 0.759 nan 8.270 nan 0.000 0.449 448 N N -0.164 118.625 118.700 0.150 0.000 2.292 448 N HA 0.251 4.991 4.740 -0.000 0.000 0.303 448 N C -1.442 174.181 175.510 0.189 0.000 1.140 448 N CA -0.923 52.232 53.050 0.175 0.000 0.788 448 N CB 1.375 39.965 38.487 0.173 0.000 1.361 448 N HN -0.153 nan 8.380 nan 0.000 0.489 449 N N -0.898 117.926 118.700 0.208 0.000 2.384 449 N HA 0.556 5.296 4.740 -0.000 0.000 0.301 449 N C -1.502 174.145 175.510 0.228 0.000 1.133 449 N CA -0.589 52.588 53.050 0.212 0.000 0.853 449 N CB 2.181 40.780 38.487 0.187 0.000 1.241 449 N HN 0.508 nan 8.380 nan 0.000 0.502 450 T N 1.372 116.054 114.554 0.215 0.000 2.949 450 T HA 0.492 4.842 4.350 -0.000 0.000 0.300 450 T C -1.120 173.710 174.700 0.216 0.000 0.988 450 T CA -0.338 61.886 62.100 0.207 0.000 0.993 450 T CB 0.397 69.350 68.868 0.142 0.000 0.984 450 T HN 0.204 nan 8.240 nan 0.000 0.442 451 I N 3.714 124.420 120.570 0.226 0.000 2.406 451 I HA 0.490 4.660 4.170 -0.000 0.000 0.290 451 I C -0.307 175.939 176.117 0.216 0.000 0.999 451 I CA -0.537 60.922 61.300 0.265 0.000 1.124 451 I CB 1.610 39.798 38.000 0.313 0.000 1.289 451 I HN 0.570 nan 8.210 nan 0.000 0.441 452 I N 6.463 127.145 120.570 0.186 0.000 2.321 452 I HA 0.401 4.571 4.170 -0.000 0.000 0.291 452 I C -0.711 175.507 176.117 0.168 0.000 0.998 452 I CA -0.771 60.598 61.300 0.115 0.000 1.227 452 I CB 1.306 39.314 38.000 0.013 0.000 1.368 452 I HN 0.153 nan 8.210 nan 0.000 0.466 453 V N 6.301 126.287 119.914 0.121 0.000 2.384 453 V HA 0.505 4.625 4.120 -0.000 0.000 0.287 453 V C 0.508 176.627 176.094 0.042 0.000 1.020 453 V CA -0.676 61.683 62.300 0.098 0.000 0.850 453 V CB 1.463 33.258 31.823 -0.048 0.000 0.987 453 V HN 0.840 nan 8.190 nan 0.000 0.436 454 A N 3.288 126.141 122.820 0.055 0.000 2.351 454 A HA 0.393 4.713 4.320 -0.000 0.000 0.257 454 A C 1.120 178.709 177.584 0.008 0.000 1.087 454 A CA -0.164 51.891 52.037 0.030 0.000 0.798 454 A CB 0.222 19.252 19.000 0.050 0.000 1.033 454 A HN 0.949 nan 8.150 nan 0.000 0.488 455 E N 1.776 121.973 120.200 -0.005 0.000 2.049 455 E HA -0.192 4.158 4.350 -0.000 0.000 0.198 455 E C 1.681 178.281 176.600 0.000 0.000 1.007 455 E CA 1.461 57.848 56.400 -0.021 0.000 0.809 455 E CB -0.182 29.487 29.700 -0.051 0.000 0.749 455 E HN 0.845 nan 8.360 nan 0.000 0.450 456 G N 0.422 109.237 108.800 0.025 0.000 3.234 456 G HA2 0.205 4.165 3.960 -0.000 0.000 0.221 456 G HA3 0.205 4.165 3.960 -0.000 0.000 0.221 456 G C 0.141 175.092 174.900 0.085 0.000 1.229 456 G CA 0.248 45.410 45.100 0.104 0.000 0.909 456 G HN 0.254 nan 8.290 nan 0.000 0.510 457 A N 0.237 123.080 122.820 0.037 0.000 2.477 457 A HA 0.610 4.930 4.320 -0.000 0.000 0.246 457 A C -0.176 177.406 177.584 -0.003 0.000 1.078 457 A CA 0.168 52.216 52.037 0.017 0.000 0.770 457 A CB 0.165 19.155 19.000 -0.016 0.000 1.011 457 A HN 0.890 nan 8.150 nan 0.000 0.494 458 L N -0.078 121.141 121.223 -0.007 0.000 2.568 458 L HA 0.795 5.135 4.340 -0.000 0.000 0.257 458 L C -0.539 176.316 176.870 -0.025 0.000 1.024 458 L CA -1.132 53.709 54.840 0.002 0.000 0.854 458 L CB 1.028 43.120 42.059 0.055 0.000 1.460 458 L HN 0.647 nan 8.230 nan 0.000 0.409 459 D N -1.684 118.740 120.400 0.040 0.000 2.567 459 D HA 0.291 4.931 4.640 -0.000 0.000 0.275 459 D C 0.276 176.636 176.300 0.100 0.000 1.195 459 D CA -0.159 53.889 54.000 0.079 0.000 1.087 459 D CB 0.192 41.148 40.800 0.260 0.000 1.165 459 D HN 0.565 nan 8.370 nan 0.000 0.609 460 D N -0.674 119.842 120.400 0.194 0.000 2.106 460 D HA -0.178 4.462 4.640 -0.000 0.000 0.191 460 D C 1.380 177.874 176.300 0.323 0.000 0.997 460 D CA 1.480 55.659 54.000 0.298 0.000 0.834 460 D CB -0.203 40.807 40.800 0.350 0.000 0.956 460 D HN 0.518 nan 8.370 nan 0.000 0.448 461 Q N 0.359 120.276 119.800 0.195 0.000 2.344 461 Q HA 0.185 4.525 4.340 -0.000 0.000 0.212 461 Q C 0.607 176.667 176.000 0.100 0.000 0.943 461 Q CA -0.141 55.709 55.803 0.079 0.000 0.955 461 Q CB 0.017 28.696 28.738 -0.097 0.000 1.000 461 Q HN 0.303 nan 8.270 nan 0.000 0.488 462 L N -0.585 120.742 121.223 0.173 0.000 4.367 462 L HA -0.279 4.061 4.340 -0.000 0.000 0.424 462 L C -0.510 176.416 176.870 0.092 0.000 1.152 462 L CA 0.171 55.096 54.840 0.142 0.000 0.974 462 L CB -1.720 40.401 42.059 0.104 0.000 2.012 462 L HN 0.483 nan 8.230 nan 0.000 0.922 463 N N 2.474 121.229 118.700 0.092 0.000 2.470 463 N HA 0.253 4.993 4.740 -0.000 0.000 0.268 463 N C -2.013 173.543 175.510 0.077 0.000 1.136 463 N CA -1.028 52.070 53.050 0.080 0.000 0.961 463 N CB 0.770 39.316 38.487 0.098 0.000 1.067 463 N HN 0.113 nan 8.380 nan 0.000 0.468 464 P HA -0.012 nan 4.420 nan 0.000 0.267 464 P C -0.394 176.908 177.300 0.005 0.000 1.205 464 P CA -0.041 63.079 63.100 0.032 0.000 0.765 464 P CB 0.747 32.467 31.700 0.033 0.000 0.828 465 V N 4.669 124.542 119.914 -0.069 0.000 2.364 465 V HA 0.182 4.301 4.120 -0.000 0.000 0.272 465 V C 0.939 176.896 176.094 -0.227 0.000 1.036 465 V CA 0.037 62.218 62.300 -0.199 0.000 0.880 465 V CB 0.797 32.344 31.823 -0.460 0.000 0.991 465 V HN 0.555 nan 8.190 nan 0.000 0.460 466 T N 4.081 118.540 114.554 -0.158 0.000 2.909 466 T HA 0.431 4.781 4.350 -0.000 0.000 0.286 466 T C 1.454 176.051 174.700 -0.172 0.000 1.002 466 T CA 0.343 62.366 62.100 -0.128 0.000 1.074 466 T CB 1.797 70.637 68.868 -0.048 0.000 0.984 466 T HN 0.816 nan 8.240 nan 0.000 0.495 467 A N 3.287 126.028 122.820 -0.132 0.000 1.903 467 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 467 A C 2.031 179.564 177.584 -0.085 0.000 1.191 467 A CA 2.288 54.257 52.037 -0.113 0.000 0.638 467 A CB -0.846 18.119 19.000 -0.057 0.000 0.823 467 A HN 0.850 nan 8.150 nan 0.000 0.451 468 N N -0.165 118.504 118.700 -0.053 0.000 2.331 468 N HA -0.024 4.716 4.740 -0.000 0.000 0.180 468 N C 1.042 176.551 175.510 -0.001 0.000 1.019 468 N CA 1.177 54.211 53.050 -0.026 0.000 0.881 468 N CB -0.228 38.249 38.487 -0.016 0.000 0.972 468 N HN 0.500 nan 8.380 nan 0.000 0.435 469 D N -0.157 120.246 120.400 0.004 0.000 2.097 469 D HA -0.101 4.539 4.640 -0.000 0.000 0.195 469 D C 1.921 178.321 176.300 0.168 0.000 0.989 469 D CA 0.763 54.824 54.000 0.101 0.000 0.827 469 D CB -0.409 40.468 40.800 0.128 0.000 0.966 469 D HN -0.021 nan 8.370 nan 0.000 0.456 470 V N 0.874 120.797 119.914 0.016 0.000 2.295 470 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 470 V C 2.382 178.512 176.094 0.059 0.000 1.049 470 V CA 1.714 64.022 62.300 0.015 0.000 1.024 470 V CB -0.497 31.167 31.823 -0.265 0.000 0.648 470 V HN 0.218 nan 8.190 nan 0.000 0.447 471 K N -0.058 120.344 120.400 0.003 0.000 2.020 471 K HA -0.274 4.046 4.320 -0.000 0.000 0.212 471 K C 1.932 178.535 176.600 0.005 0.000 1.050 471 K CA 2.216 58.498 56.287 -0.007 0.000 0.929 471 K CB -0.420 32.060 32.500 -0.035 0.000 0.714 471 K HN 0.467 nan 8.250 nan 0.000 0.443 472 D N 0.457 120.865 120.400 0.013 0.000 2.126 472 D HA -0.214 4.426 4.640 -0.000 0.000 0.190 472 D C 1.868 178.169 176.300 0.002 0.000 1.001 472 D CA 1.642 55.645 54.000 0.005 0.000 0.841 472 D CB -0.388 40.418 40.800 0.010 0.000 0.949 472 D HN 0.416 nan 8.370 nan 0.000 0.446 473 A N 0.931 123.766 122.820 0.025 0.000 1.903 473 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 473 A C 2.501 180.084 177.584 -0.003 0.000 1.191 473 A CA 1.388 53.422 52.037 -0.005 0.000 0.638 473 A CB -0.963 18.065 19.000 0.047 0.000 0.823 473 A HN 0.243 nan 8.150 nan 0.000 0.451 474 L N -0.611 120.625 121.223 0.023 0.000 2.093 474 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 474 L C 2.416 179.282 176.870 -0.007 0.000 1.085 474 L CA 0.575 55.421 54.840 0.011 0.000 0.755 474 L CB -0.403 41.670 42.059 0.024 0.000 0.904 474 L HN 0.325 nan 8.230 nan 0.000 0.435 475 I N 0.168 120.730 120.570 -0.014 0.000 2.226 475 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 475 I C 2.523 178.627 176.117 -0.022 0.000 1.100 475 I CA 1.494 62.781 61.300 -0.022 0.000 1.374 475 I CB -0.812 37.173 38.000 -0.026 0.000 1.057 475 I HN 0.415 nan 8.210 nan 0.000 0.413 476 E N 0.790 120.974 120.200 -0.026 0.000 2.085 476 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 476 E C 2.147 178.728 176.600 -0.031 0.000 0.994 476 E CA 1.113 57.493 56.400 -0.033 0.000 0.801 476 E CB -0.120 29.552 29.700 -0.046 0.000 0.743 476 E HN 0.259 nan 8.360 nan 0.000 0.453 477 L N -0.318 120.887 121.223 -0.029 0.000 2.456 477 L HA 0.082 4.422 4.340 -0.000 0.000 0.224 477 L C 1.302 178.161 176.870 -0.018 0.000 1.148 477 L CA 1.916 56.740 54.840 -0.027 0.000 0.825 477 L CB 0.002 42.046 42.059 -0.025 0.000 0.937 477 L HN 0.331 nan 8.230 nan 0.000 0.450 478 G N -1.105 107.686 108.800 -0.015 0.000 2.134 478 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.209 478 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.209 478 G C 0.061 174.959 174.900 -0.003 0.000 0.993 478 G CA 0.138 45.232 45.100 -0.010 0.000 0.669 478 G HN 0.321 nan 8.290 nan 0.000 0.519 479 L N 0.894 122.116 121.223 -0.001 0.000 2.312 479 L HA 0.438 4.778 4.340 -0.000 0.000 0.281 479 L C 0.249 177.116 176.870 -0.005 0.000 1.070 479 L CA -1.016 53.829 54.840 0.009 0.000 0.805 479 L CB 1.119 43.191 42.059 0.020 0.000 1.174 479 L HN 0.044 nan 8.230 nan 0.000 0.434 480 D N 2.341 122.742 120.400 0.002 0.000 2.368 480 D HA 0.045 4.685 4.640 -0.000 0.000 0.268 480 D C -0.635 175.628 176.300 -0.062 0.000 1.298 480 D CA 0.346 54.333 54.000 -0.023 0.000 0.938 480 D CB 0.549 41.351 40.800 0.003 0.000 1.101 480 D HN 0.445 nan 8.370 nan 0.000 0.509 481 T N 3.442 117.933 114.554 -0.104 0.000 2.829 481 T HA 0.509 4.859 4.350 -0.000 0.000 0.280 481 T C -0.099 174.434 174.700 -0.279 0.000 0.999 481 T CA -0.815 61.182 62.100 -0.172 0.000 0.983 481 T CB 1.777 70.587 68.868 -0.097 0.000 0.968 481 T HN 0.125 nan 8.240 nan 0.000 0.446 482 K N 1.131 121.220 120.400 -0.518 0.000 2.395 482 K HA 0.808 5.128 4.320 -0.000 0.000 0.247 482 K C -1.214 175.152 176.600 -0.391 0.000 0.973 482 K CA -0.710 55.245 56.287 -0.554 0.000 0.828 482 K CB 2.056 33.994 32.500 -0.937 0.000 1.272 482 K HN 0.342 nan 8.250 nan 0.000 0.439 483 V N 1.260 121.065 119.914 -0.182 0.000 2.540 483 V HA 0.571 4.691 4.120 -0.000 0.000 0.302 483 V C -0.891 175.226 176.094 0.038 0.000 1.035 483 V CA -0.654 61.617 62.300 -0.048 0.000 0.873 483 V CB 2.114 33.916 31.823 -0.036 0.000 0.992 483 V HN 0.786 nan 8.190 nan 0.000 0.428 484 T N 5.664 120.284 114.554 0.110 0.000 2.848 484 T HA 0.647 4.997 4.350 -0.000 0.000 0.285 484 T C -0.788 173.966 174.700 0.090 0.000 0.995 484 T CA -0.244 61.938 62.100 0.136 0.000 0.970 484 T CB 1.387 70.391 68.868 0.226 0.000 0.976 484 T HN 0.283 nan 8.240 nan 0.000 0.441 485 I N 3.883 124.492 120.570 0.066 0.000 2.359 485 I HA 0.298 4.468 4.170 -0.000 0.000 0.284 485 I C 1.286 177.430 176.117 0.046 0.000 1.018 485 I CA -0.370 60.956 61.300 0.043 0.000 1.173 485 I CB 1.077 39.094 38.000 0.028 0.000 1.326 485 I HN 0.634 nan 8.210 nan 0.000 0.462 486 L N 4.861 126.109 121.223 0.042 0.000 2.079 486 L HA -0.016 4.324 4.340 -0.000 0.000 0.210 486 L C 1.644 178.532 176.870 0.030 0.000 1.081 486 L CA 1.105 55.971 54.840 0.043 0.000 0.752 486 L CB -0.949 41.132 42.059 0.037 0.000 0.896 486 L HN 0.931 nan 8.230 nan 0.000 0.433 487 G N -0.530 108.266 108.800 -0.007 0.000 2.601 487 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.252 487 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.252 487 G C 0.148 174.989 174.900 -0.098 0.000 1.294 487 G CA 0.566 45.644 45.100 -0.036 0.000 0.912 487 G HN 0.435 nan 8.290 nan 0.000 0.574 488 H N 0.541 119.621 119.070 0.017 0.000 2.568 488 H HA 0.109 4.665 4.556 -0.000 0.000 0.281 488 H C 2.596 177.936 175.328 0.019 0.000 1.028 488 H CA 1.422 57.479 56.048 0.015 0.000 1.199 488 H CB -0.358 29.409 29.762 0.008 0.000 1.352 488 H HN 0.747 nan 8.280 nan 0.000 0.605 489 V N -1.402 118.569 119.914 0.095 0.000 2.688 489 V HA -0.258 3.862 4.120 -0.000 0.000 0.256 489 V C 1.500 177.628 176.094 0.057 0.000 1.084 489 V CA 1.487 63.832 62.300 0.076 0.000 1.103 489 V CB -0.495 31.371 31.823 0.071 0.000 0.688 489 V HN 0.435 nan 8.190 nan 0.000 0.480 490 Q N -0.146 119.673 119.800 0.032 0.000 2.482 490 Q HA 0.111 4.451 4.340 -0.000 0.000 0.209 490 Q C 1.890 177.907 176.000 0.027 0.000 0.961 490 Q CA 0.423 56.238 55.803 0.021 0.000 0.945 490 Q CB 0.008 28.739 28.738 -0.011 0.000 1.012 490 Q HN 0.571 nan 8.270 nan 0.000 0.515 491 R N -0.660 119.867 120.500 0.045 0.000 2.394 491 R HA 0.187 4.527 4.340 -0.000 0.000 0.220 491 R C 0.803 177.131 176.300 0.046 0.000 0.887 491 R CA 0.472 56.603 56.100 0.052 0.000 1.034 491 R CB 0.765 31.122 30.300 0.095 0.000 1.179 491 R HN 0.146 nan 8.270 nan 0.000 0.561 492 G N -0.216 108.613 108.800 0.049 0.000 2.531 492 G HA2 0.502 4.462 3.960 -0.000 0.000 0.281 492 G HA3 0.502 4.462 3.960 -0.000 0.000 0.281 492 G C -0.135 174.780 174.900 0.025 0.000 1.382 492 G CA 0.178 45.296 45.100 0.030 0.000 1.045 492 G HN 0.313 nan 8.290 nan 0.000 0.533 493 G N -2.090 106.718 108.800 0.014 0.000 2.758 493 G HA2 0.306 4.265 3.960 -0.000 0.000 0.686 493 G HA3 0.306 4.265 3.960 -0.000 0.000 0.686 493 G C 0.233 175.137 174.900 0.006 0.000 1.389 493 G CA 0.456 45.565 45.100 0.015 0.000 0.845 493 G HN 1.822 nan 8.290 nan 0.000 0.572 494 T N -1.147 113.411 114.554 0.006 0.000 2.770 494 T HA 0.796 5.146 4.350 -0.000 0.000 0.281 494 T C 0.965 175.680 174.700 0.025 0.000 0.981 494 T CA 0.751 62.852 62.100 0.002 0.000 0.955 494 T CB 1.309 70.177 68.868 0.001 0.000 1.060 494 T HN 2.357 nan 8.240 nan 0.000 0.531 495 A N 0.997 123.835 122.820 0.030 0.000 2.363 495 A HA 0.596 4.916 4.320 -0.000 0.000 0.270 495 A C 0.808 178.440 177.584 0.080 0.000 1.121 495 A CA -0.613 51.461 52.037 0.061 0.000 0.800 495 A CB -0.208 18.826 19.000 0.058 0.000 1.052 495 A HN 1.359 nan 8.150 nan 0.000 0.493 496 V N 0.213 120.193 119.914 0.110 0.000 3.441 496 V HA 0.501 4.621 4.120 -0.000 0.000 0.300 496 V C 1.581 177.764 176.094 0.147 0.000 1.091 496 V CA 0.195 62.561 62.300 0.110 0.000 1.099 496 V CB -0.043 31.847 31.823 0.112 0.000 1.138 496 V HN 1.354 nan 8.190 nan 0.000 0.471 497 A N -0.532 122.372 122.820 0.141 0.000 1.917 497 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 497 A C 2.156 179.938 177.584 0.331 0.000 1.182 497 A CA 2.202 54.372 52.037 0.223 0.000 0.633 497 A CB -1.273 17.823 19.000 0.159 0.000 0.819 497 A HN 1.198 nan 8.150 nan 0.000 0.448 498 H N 0.048 119.218 119.070 0.166 0.000 2.319 498 H HA -0.141 4.415 4.556 -0.000 0.000 0.299 498 H C 1.368 176.886 175.328 0.316 0.000 1.092 498 H CA 1.994 58.178 56.048 0.226 0.000 1.302 498 H CB -0.155 29.625 29.762 0.030 0.000 1.373 498 H HN 0.442 nan 8.280 nan 0.000 0.497 499 D N 0.367 120.995 120.400 0.380 0.000 2.144 499 D HA -0.096 4.544 4.640 -0.000 0.000 0.200 499 D C 2.533 178.898 176.300 0.109 0.000 0.978 499 D CA 0.592 54.739 54.000 0.246 0.000 0.833 499 D CB -0.105 40.826 40.800 0.218 0.000 0.961 499 D HN 0.440 nan 8.370 nan 0.000 0.470 500 R N -0.122 120.446 120.500 0.113 0.000 2.091 500 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 500 R C 2.246 178.527 176.300 -0.031 0.000 1.136 500 R CA 1.223 57.346 56.100 0.038 0.000 0.959 500 R CB -0.512 29.823 30.300 0.057 0.000 0.856 500 R HN 0.280 nan 8.270 nan 0.000 0.437 501 W N 1.687 122.869 121.300 -0.197 0.000 2.354 501 W HA -0.160 4.500 4.660 -0.000 0.000 0.315 501 W C 1.896 178.214 176.519 -0.335 0.000 1.206 501 W CA 1.182 58.287 57.345 -0.399 0.000 1.290 501 W CB -0.496 28.656 29.460 -0.515 0.000 1.152 501 W HN -0.035 nan 8.180 nan 0.000 0.489 502 L N 0.697 121.777 121.223 -0.238 0.000 1.989 502 L HA -0.219 4.121 4.340 -0.000 0.000 0.211 502 L C 2.488 179.142 176.870 -0.361 0.000 1.071 502 L CA 2.229 56.822 54.840 -0.411 0.000 0.749 502 L CB -1.248 40.742 42.059 -0.115 0.000 0.890 502 L HN 0.189 nan 8.230 nan 0.000 0.431 503 A N -1.108 121.590 122.820 -0.203 0.000 1.933 503 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 503 A C 2.185 179.634 177.584 -0.226 0.000 1.175 503 A CA 2.272 54.208 52.037 -0.168 0.000 0.628 503 A CB -0.875 18.071 19.000 -0.090 0.000 0.814 503 A HN 0.488 nan 8.150 nan 0.000 0.444 504 T N 0.308 114.692 114.554 -0.283 0.000 2.777 504 T HA -0.030 4.320 4.350 -0.000 0.000 0.266 504 T C 1.821 176.312 174.700 -0.349 0.000 1.040 504 T CA 1.356 63.280 62.100 -0.294 0.000 1.141 504 T CB -0.308 68.379 68.868 -0.301 0.000 0.868 504 T HN 0.362 nan 8.240 nan 0.000 0.444 505 L N 0.624 121.540 121.223 -0.512 0.000 2.005 505 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 505 L C 2.944 179.623 176.870 -0.318 0.000 1.072 505 L CA 1.377 55.927 54.840 -0.482 0.000 0.744 505 L CB -0.619 40.981 42.059 -0.764 0.000 0.895 505 L HN 0.255 nan 8.230 nan 0.000 0.433 506 Q N -0.165 119.447 119.800 -0.314 0.000 2.152 506 Q HA -0.195 4.145 4.340 -0.000 0.000 0.206 506 Q C 2.210 178.123 176.000 -0.145 0.000 0.985 506 Q CA 1.529 57.216 55.803 -0.195 0.000 0.863 506 Q CB -0.387 28.249 28.738 -0.169 0.000 0.904 506 Q HN 0.641 nan 8.270 nan 0.000 0.422 507 G N -0.094 108.608 108.800 -0.163 0.000 2.418 507 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 507 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 507 G C 1.458 176.288 174.900 -0.115 0.000 1.158 507 G CA 0.811 45.831 45.100 -0.133 0.000 0.771 507 G HN 0.228 nan 8.290 nan 0.000 0.545 508 V N 0.988 120.822 119.914 -0.135 0.000 2.427 508 V HA -0.131 3.989 4.120 -0.000 0.000 0.248 508 V C 2.416 178.495 176.094 -0.025 0.000 1.051 508 V CA 2.165 64.409 62.300 -0.094 0.000 1.048 508 V CB -0.293 31.458 31.823 -0.119 0.000 0.666 508 V HN 0.350 nan 8.190 nan 0.000 0.456 509 D N 0.047 120.421 120.400 -0.043 0.000 2.183 509 D HA -0.061 4.579 4.640 -0.000 0.000 0.203 509 D C 2.143 178.455 176.300 0.020 0.000 0.969 509 D CA 1.196 55.196 54.000 -0.001 0.000 0.842 509 D CB -0.065 40.720 40.800 -0.024 0.000 0.957 509 D HN 0.357 nan 8.370 nan 0.000 0.484 510 A N -0.194 122.623 122.820 -0.005 0.000 1.908 510 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 510 A C 2.456 180.055 177.584 0.026 0.000 1.181 510 A CA 1.472 53.512 52.037 0.006 0.000 0.627 510 A CB -0.820 18.162 19.000 -0.029 0.000 0.818 510 A HN 0.196 nan 8.150 nan 0.000 0.445 511 V N 0.046 119.979 119.914 0.032 0.000 2.261 511 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 511 V C 2.480 178.652 176.094 0.129 0.000 1.047 511 V CA 2.384 64.728 62.300 0.075 0.000 1.015 511 V CB -0.644 31.237 31.823 0.098 0.000 0.642 511 V HN 0.552 nan 8.190 nan 0.000 0.446 512 K N 0.049 120.546 120.400 0.161 0.000 2.063 512 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 512 K C 2.257 178.912 176.600 0.092 0.000 1.048 512 K CA 1.561 57.933 56.287 0.141 0.000 0.928 512 K CB -0.432 32.157 32.500 0.148 0.000 0.713 512 K HN 0.490 nan 8.250 nan 0.000 0.442 513 A N 0.862 123.744 122.820 0.103 0.000 1.933 513 A HA -0.121 4.198 4.320 -0.000 0.000 0.218 513 A C 2.334 180.076 177.584 0.264 0.000 1.175 513 A CA 1.275 53.400 52.037 0.147 0.000 0.628 513 A CB -0.612 18.477 19.000 0.148 0.000 0.814 513 A HN 0.109 nan 8.150 nan 0.000 0.444 514 V N 0.301 120.314 119.914 0.166 0.000 2.295 514 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 514 V C 2.474 178.631 176.094 0.105 0.000 1.049 514 V CA 2.025 64.363 62.300 0.063 0.000 1.024 514 V CB -0.474 31.304 31.823 -0.074 0.000 0.648 514 V HN 0.614 nan 8.190 nan 0.000 0.447 515 L N -0.593 120.674 121.223 0.074 0.000 2.275 515 L HA -0.133 4.207 4.340 -0.000 0.000 0.215 515 L C 2.059 178.954 176.870 0.043 0.000 1.119 515 L CA 1.356 56.215 54.840 0.031 0.000 0.790 515 L CB -0.505 41.531 42.059 -0.039 0.000 0.919 515 L HN 0.431 nan 8.230 nan 0.000 0.443 516 E N -0.937 119.316 120.200 0.087 0.000 2.474 516 E HA 0.062 4.412 4.350 -0.000 0.000 0.195 516 E C 0.160 176.815 176.600 0.091 0.000 1.039 516 E CA -0.436 55.999 56.400 0.058 0.000 0.881 516 E CB 0.334 30.051 29.700 0.028 0.000 0.970 516 E HN 0.115 nan 8.360 nan 0.000 0.486 517 F N 1.959 121.890 119.950 -0.032 0.000 2.586 517 F HA -0.022 4.505 4.527 -0.000 0.000 0.344 517 F C 1.155 176.936 175.800 -0.030 0.000 1.188 517 F CA 0.573 58.554 58.000 -0.032 0.000 1.359 517 F CB 0.675 39.651 39.000 -0.039 0.000 1.129 517 F HN -0.177 nan 8.300 nan 0.000 0.609 518 T N 1.155 115.680 114.554 -0.048 0.000 2.864 518 T HA 0.410 4.760 4.350 -0.000 0.000 0.299 518 T C -2.076 172.620 174.700 -0.008 0.000 1.166 518 T CA -1.443 60.647 62.100 -0.017 0.000 1.007 518 T CB 1.913 70.741 68.868 -0.067 0.000 1.219 518 T HN 0.292 nan 8.240 nan 0.000 0.506 519 P HA -0.153 nan 4.420 nan 0.000 0.214 519 P C 1.067 178.364 177.300 -0.005 0.000 1.163 519 P CA 1.560 64.678 63.100 0.031 0.000 0.889 519 P CB 0.221 31.938 31.700 0.027 0.000 0.790 520 E N 0.249 120.431 120.200 -0.030 0.000 2.427 520 E HA -0.027 4.323 4.350 -0.000 0.000 0.196 520 E C 0.364 176.910 176.600 -0.091 0.000 1.028 520 E CA 0.144 56.521 56.400 -0.038 0.000 0.864 520 E CB -1.018 28.668 29.700 -0.024 0.000 0.813 520 E HN 0.346 nan 8.360 nan 0.000 0.514 521 T N 0.696 115.142 114.554 -0.180 0.000 2.902 521 T HA 0.158 4.508 4.350 -0.000 0.000 0.301 521 T C -2.069 172.459 174.700 -0.286 0.000 1.012 521 T CA -1.404 60.531 62.100 -0.276 0.000 1.151 521 T CB 0.936 69.516 68.868 -0.481 0.000 0.946 521 T HN -0.069 nan 8.240 nan 0.000 0.542 522 P HA 0.233 nan 4.420 nan 0.000 0.276 522 P C -0.445 176.789 177.300 -0.110 0.000 1.261 522 P CA -0.717 62.324 63.100 -0.099 0.000 0.800 522 P CB 0.537 32.225 31.700 -0.020 0.000 1.066 523 S N 2.401 118.106 115.700 0.008 0.000 2.506 523 S HA 0.141 4.611 4.470 -0.000 0.000 0.291 523 S C -1.755 172.892 174.600 0.079 0.000 1.230 523 S CA -0.455 57.811 58.200 0.110 0.000 1.107 523 S CB -0.803 62.465 63.200 0.113 0.000 0.942 523 S HN 0.390 nan 8.310 nan 0.000 0.502 524 P HA 0.330 nan 4.420 nan 0.000 0.284 524 P C -0.917 176.427 177.300 0.074 0.000 1.253 524 P CA -0.669 62.471 63.100 0.067 0.000 0.800 524 P CB 1.004 32.747 31.700 0.071 0.000 0.961 525 L N 3.982 125.231 121.223 0.044 0.000 2.349 525 L HA 0.441 4.781 4.340 -0.000 0.000 0.278 525 L C -0.408 176.473 176.870 0.018 0.000 0.996 525 L CA -1.146 53.713 54.840 0.031 0.000 0.825 525 L CB 0.964 43.038 42.059 0.026 0.000 1.243 525 L HN 0.174 nan 8.230 nan 0.000 0.412 526 I N 4.804 125.379 120.570 0.008 0.000 2.416 526 I HA 0.389 4.559 4.170 -0.000 0.000 0.288 526 I C 0.864 176.973 176.117 -0.013 0.000 1.051 526 I CA 0.209 61.506 61.300 -0.005 0.000 1.375 526 I CB 0.487 38.474 38.000 -0.023 0.000 1.407 526 I HN 0.769 nan 8.210 nan 0.000 0.516 527 G N 6.447 115.244 108.800 -0.006 0.000 3.243 527 G HA2 0.766 4.726 3.960 -0.000 0.000 0.248 527 G HA3 0.766 4.726 3.960 -0.000 0.000 0.248 527 G C -1.327 173.579 174.900 0.012 0.000 1.267 527 G CA -0.495 44.605 45.100 0.000 0.000 0.906 527 G HN 0.494 nan 8.290 nan 0.000 0.592 528 I N -0.191 120.403 120.570 0.040 0.000 2.610 528 I HA 0.475 4.645 4.170 -0.000 0.000 0.289 528 I C -0.577 175.598 176.117 0.097 0.000 1.163 528 I CA -0.770 60.578 61.300 0.080 0.000 1.044 528 I CB 1.822 39.895 38.000 0.123 0.000 1.251 528 I HN 0.461 nan 8.210 nan 0.000 0.424 529 L N 5.159 126.446 121.223 0.107 0.000 2.713 529 L HA 0.365 4.705 4.340 -0.000 0.000 0.223 529 L C 0.448 177.391 176.870 0.122 0.000 1.040 529 L CA 0.119 55.021 54.840 0.104 0.000 0.894 529 L CB 0.535 42.641 42.059 0.078 0.000 1.361 529 L HN 0.562 nan 8.230 nan 0.000 0.490 530 E N 0.532 120.811 120.200 0.131 0.000 3.167 530 E HA 0.124 4.474 4.350 -0.000 0.000 0.210 530 E C -0.617 176.083 176.600 0.167 0.000 1.004 530 E CA -0.136 56.347 56.400 0.137 0.000 1.256 530 E CB 0.367 30.137 29.700 0.115 0.000 1.193 530 E HN 0.249 nan 8.360 nan 0.000 0.448 531 N N 1.799 120.618 118.700 0.198 0.000 2.741 531 N HA -0.195 4.544 4.740 -0.000 0.000 0.251 531 N C -1.128 174.577 175.510 0.325 0.000 1.112 531 N CA 1.144 54.354 53.050 0.268 0.000 0.750 531 N CB -0.646 37.974 38.487 0.221 0.000 1.119 531 N HN 0.206 nan 8.380 nan 0.000 0.561 532 K N -0.024 120.519 120.400 0.239 0.000 2.328 532 K HA 0.539 4.859 4.320 -0.000 0.000 0.246 532 K C -0.173 176.511 176.600 0.140 0.000 0.955 532 K CA -0.860 55.554 56.287 0.211 0.000 0.817 532 K CB 1.473 34.073 32.500 0.166 0.000 1.208 532 K HN 0.084 nan 8.250 nan 0.000 0.432 533 I N 4.307 124.928 120.570 0.085 0.000 2.371 533 I HA 0.268 4.438 4.170 -0.000 0.000 0.290 533 I C 0.202 176.336 176.117 0.030 0.000 1.028 533 I CA -0.427 60.886 61.300 0.021 0.000 1.345 533 I CB 0.361 38.329 38.000 -0.052 0.000 1.407 533 I HN 0.488 nan 8.210 nan 0.000 0.501 534 I N 3.520 124.106 120.570 0.026 0.000 3.002 534 I HA 0.679 4.849 4.170 -0.000 0.000 0.310 534 I C -0.760 175.367 176.117 0.016 0.000 1.087 534 I CA -1.119 60.197 61.300 0.026 0.000 1.017 534 I CB 2.041 40.062 38.000 0.035 0.000 1.226 534 I HN 0.466 nan 8.210 nan 0.000 0.443 535 R N 3.862 124.371 120.500 0.015 0.000 2.664 535 R HA 0.812 5.152 4.340 -0.000 0.000 0.286 535 R C -0.882 175.424 176.300 0.011 0.000 0.967 535 R CA -0.849 55.258 56.100 0.013 0.000 0.933 535 R CB 2.173 32.479 30.300 0.010 0.000 1.146 535 R HN 0.820 nan 8.270 nan 0.000 0.468 536 M N 0.114 119.721 119.600 0.012 0.000 2.520 536 M HA 0.521 5.001 4.480 -0.000 0.000 0.283 536 M C -2.768 173.540 176.300 0.013 0.000 1.237 536 M CA -2.462 52.845 55.300 0.012 0.000 0.885 536 M CB 2.720 35.329 32.600 0.015 0.000 1.727 536 M HN 0.245 nan 8.290 nan 0.000 0.468 537 P HA 0.047 nan 4.420 nan 0.000 0.264 537 P C 0.563 177.881 177.300 0.030 0.000 1.229 537 P CA 0.014 63.125 63.100 0.017 0.000 0.780 537 P CB 0.988 32.697 31.700 0.015 0.000 0.808 538 L N 5.263 126.511 121.223 0.042 0.000 2.013 538 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 538 L C 2.083 178.984 176.870 0.052 0.000 1.073 538 L CA 1.964 56.834 54.840 0.050 0.000 0.753 538 L CB -0.419 41.679 42.059 0.066 0.000 0.890 538 L HN 0.103 nan 8.230 nan 0.000 0.432 539 V N -1.032 118.920 119.914 0.063 0.000 2.392 539 V HA -0.251 3.868 4.120 -0.000 0.000 0.249 539 V C 2.570 178.689 176.094 0.042 0.000 1.059 539 V CA 1.823 64.161 62.300 0.063 0.000 1.051 539 V CB -0.916 30.954 31.823 0.077 0.000 0.658 539 V HN 0.461 nan 8.190 nan 0.000 0.455 540 E N 0.900 121.120 120.200 0.034 0.000 2.017 540 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 540 E C 2.568 179.180 176.600 0.021 0.000 0.997 540 E CA 1.816 58.230 56.400 0.024 0.000 0.804 540 E CB -0.507 29.206 29.700 0.020 0.000 0.757 540 E HN 0.608 nan 8.360 nan 0.000 0.448 541 S N 0.630 116.343 115.700 0.021 0.000 2.370 541 S HA -0.173 4.297 4.470 -0.000 0.000 0.226 541 S C 2.261 176.871 174.600 0.017 0.000 1.033 541 S CA 1.583 59.793 58.200 0.017 0.000 1.011 541 S CB -0.518 62.691 63.200 0.016 0.000 0.852 541 S HN 0.333 nan 8.310 nan 0.000 0.457 542 V N 1.018 120.947 119.914 0.026 0.000 2.332 542 V HA -0.177 3.943 4.120 -0.000 0.000 0.248 542 V C 2.127 178.234 176.094 0.021 0.000 1.055 542 V CA 2.155 64.471 62.300 0.028 0.000 1.038 542 V CB -0.800 31.048 31.823 0.040 0.000 0.651 542 V HN 0.396 nan 8.190 nan 0.000 0.450 543 K N 0.265 120.676 120.400 0.019 0.000 2.001 543 K HA -0.035 4.285 4.320 -0.000 0.000 0.208 543 K C 2.236 178.839 176.600 0.005 0.000 1.048 543 K CA 1.824 58.118 56.287 0.012 0.000 0.932 543 K CB -0.331 32.176 32.500 0.012 0.000 0.715 543 K HN 0.541 nan 8.250 nan 0.000 0.437 544 L N 1.041 122.267 121.223 0.005 0.000 2.079 544 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 544 L C 2.710 179.576 176.870 -0.006 0.000 1.081 544 L CA 1.970 56.809 54.840 -0.001 0.000 0.752 544 L CB -0.836 41.224 42.059 0.001 0.000 0.896 544 L HN 0.522 nan 8.230 nan 0.000 0.433 545 T N -3.411 111.142 114.554 -0.002 0.000 2.896 545 T HA -0.154 4.196 4.350 -0.000 0.000 0.263 545 T C 1.890 176.590 174.700 -0.000 0.000 1.050 545 T CA 0.773 62.871 62.100 -0.003 0.000 1.140 545 T CB -0.062 68.808 68.868 0.003 0.000 0.877 545 T HN -0.015 nan 8.240 nan 0.000 0.457 546 K N 2.027 122.429 120.400 0.004 0.000 2.097 546 K HA -0.045 4.275 4.320 -0.000 0.000 0.206 546 K C 2.604 179.198 176.600 -0.009 0.000 1.049 546 K CA 1.522 57.811 56.287 0.003 0.000 0.933 546 K CB -0.606 31.899 32.500 0.007 0.000 0.717 546 K HN 0.571 nan 8.250 nan 0.000 0.442 547 S N -0.657 115.036 115.700 -0.012 0.000 2.447 547 S HA -0.088 4.382 4.470 -0.000 0.000 0.233 547 S C 1.898 176.480 174.600 -0.031 0.000 1.006 547 S CA 1.097 59.284 58.200 -0.021 0.000 0.957 547 S CB -0.495 62.694 63.200 -0.018 0.000 0.773 547 S HN 0.044 nan 8.310 nan 0.000 0.507 548 V N 2.398 122.295 119.914 -0.029 0.000 2.332 548 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 548 V C 3.181 179.251 176.094 -0.041 0.000 1.055 548 V CA 1.747 64.025 62.300 -0.036 0.000 1.038 548 V CB -1.655 30.148 31.823 -0.033 0.000 0.651 548 V HN 0.691 nan 8.190 nan 0.000 0.450 549 A N -0.054 122.741 122.820 -0.043 0.000 1.877 549 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 549 A C 2.407 179.950 177.584 -0.068 0.000 1.186 549 A CA 2.501 54.497 52.037 -0.068 0.000 0.620 549 A CB -1.155 17.797 19.000 -0.079 0.000 0.822 549 A HN 0.497 nan 8.150 nan 0.000 0.443 550 T N 0.735 115.255 114.554 -0.057 0.000 2.592 550 T HA -0.247 4.103 4.350 -0.000 0.000 0.267 550 T C 2.145 176.798 174.700 -0.079 0.000 1.060 550 T CA 2.356 64.421 62.100 -0.058 0.000 1.167 550 T CB -0.676 68.165 68.868 -0.045 0.000 0.863 550 T HN 0.670 nan 8.240 nan 0.000 0.431 551 A N 0.898 123.669 122.820 -0.082 0.000 2.019 551 A HA -0.012 4.308 4.320 -0.000 0.000 0.219 551 A C 2.225 179.700 177.584 -0.182 0.000 1.164 551 A CA 0.993 52.959 52.037 -0.118 0.000 0.644 551 A CB -0.568 18.374 19.000 -0.095 0.000 0.805 551 A HN 0.446 nan 8.150 nan 0.000 0.449 552 I N -0.032 120.463 120.570 -0.125 0.000 2.353 552 I HA -0.149 4.021 4.170 -0.000 0.000 0.248 552 I C 2.177 178.215 176.117 -0.131 0.000 1.119 552 I CA 1.153 62.387 61.300 -0.110 0.000 1.417 552 I CB -1.515 36.493 38.000 0.014 0.000 1.078 552 I HN 0.464 nan 8.210 nan 0.000 0.421 553 E N 1.108 121.245 120.200 -0.105 0.000 2.110 553 E HA -0.152 4.197 4.350 -0.000 0.000 0.193 553 E C 0.653 177.186 176.600 -0.112 0.000 0.988 553 E CA 0.797 57.147 56.400 -0.085 0.000 0.804 553 E CB -0.076 29.582 29.700 -0.069 0.000 0.745 553 E HN 0.482 nan 8.360 nan 0.000 0.458 554 N N 1.362 119.972 118.700 -0.150 0.000 2.575 554 N HA 0.042 4.782 4.740 -0.000 0.000 0.275 554 N C -0.561 174.788 175.510 -0.269 0.000 1.202 554 N CA 0.083 53.037 53.050 -0.159 0.000 0.945 554 N CB 0.680 39.092 38.487 -0.124 0.000 1.247 554 N HN -0.050 nan 8.380 nan 0.000 0.510 555 K N 0.281 120.446 120.400 -0.393 0.000 2.971 555 K HA -0.224 4.096 4.320 -0.000 0.000 0.247 555 K C -0.212 175.810 176.600 -0.962 0.000 0.885 555 K CA 0.695 56.498 56.287 -0.807 0.000 0.651 555 K CB -0.972 31.315 32.500 -0.356 0.000 1.321 555 K HN 0.277 nan 8.250 nan 0.000 0.484 556 D N -0.492 119.511 120.400 -0.662 0.000 2.781 556 D HA 0.173 4.813 4.640 -0.000 0.000 0.254 556 D C 0.539 176.644 176.300 -0.325 0.000 1.213 556 D CA -0.468 53.299 54.000 -0.389 0.000 0.994 556 D CB -0.325 40.357 40.800 -0.198 0.000 1.019 556 D HN 0.144 nan 8.370 nan 0.000 0.514 557 F N 0.248 120.187 119.950 -0.019 0.000 2.126 557 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 557 F C 2.169 177.942 175.800 -0.045 0.000 1.096 557 F CA 0.791 58.769 58.000 -0.037 0.000 1.255 557 F CB -0.112 38.869 39.000 -0.032 0.000 0.997 557 F HN 0.220 nan 8.300 nan 0.000 0.479 558 D N 0.617 121.094 120.400 0.128 0.000 2.106 558 D HA -0.224 4.416 4.640 -0.000 0.000 0.191 558 D C 2.149 178.464 176.300 0.026 0.000 0.997 558 D CA 1.698 55.740 54.000 0.070 0.000 0.834 558 D CB -0.324 40.512 40.800 0.060 0.000 0.956 558 D HN 0.129 nan 8.370 nan 0.000 0.448 559 K N 1.419 121.817 120.400 -0.004 0.000 2.032 559 K HA -0.141 4.179 4.320 -0.000 0.000 0.209 559 K C 1.885 178.468 176.600 -0.027 0.000 1.048 559 K CA 1.699 57.974 56.287 -0.020 0.000 0.927 559 K CB -0.636 31.839 32.500 -0.042 0.000 0.712 559 K HN 0.045 nan 8.250 nan 0.000 0.441 560 A N 1.133 123.936 122.820 -0.029 0.000 1.849 560 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 560 A C 2.381 179.913 177.584 -0.086 0.000 1.202 560 A CA 1.986 53.998 52.037 -0.042 0.000 0.629 560 A CB -1.052 17.948 19.000 0.001 0.000 0.834 560 A HN 0.490 nan 8.150 nan 0.000 0.447 561 I N 0.762 121.280 120.570 -0.086 0.000 2.315 561 I HA -0.290 3.880 4.170 -0.000 0.000 0.251 561 I C 2.496 178.537 176.117 -0.126 0.000 1.125 561 I CA 1.969 63.162 61.300 -0.177 0.000 1.392 561 I CB -0.047 37.902 38.000 -0.085 0.000 1.065 561 I HN 0.504 nan 8.210 nan 0.000 0.424 562 S N 0.109 115.783 115.700 -0.043 0.000 2.515 562 S HA -0.049 4.421 4.470 -0.000 0.000 0.231 562 S C 1.744 176.332 174.600 -0.019 0.000 0.987 562 S CA 0.521 58.719 58.200 -0.003 0.000 0.936 562 S CB -0.487 62.723 63.200 0.016 0.000 0.766 562 S HN 0.535 nan 8.310 nan 0.000 0.528 563 L N 0.448 121.636 121.223 -0.059 0.000 2.446 563 L HA 0.167 4.507 4.340 -0.000 0.000 0.219 563 L C 1.598 178.427 176.870 -0.068 0.000 1.116 563 L CA 0.058 54.867 54.840 -0.052 0.000 0.844 563 L CB -0.121 41.905 42.059 -0.055 0.000 0.970 563 L HN 0.191 nan 8.230 nan 0.000 0.457 564 R N 1.204 121.621 120.500 -0.139 0.000 2.783 564 R HA 0.059 4.399 4.340 -0.000 0.000 0.276 564 R C -0.107 176.210 176.300 0.028 0.000 1.223 564 R CA -0.360 55.653 56.100 -0.144 0.000 1.173 564 R CB -0.114 29.859 30.300 -0.546 0.000 1.157 564 R HN 0.167 nan 8.270 nan 0.000 0.600 565 D N -0.144 120.331 120.400 0.126 0.000 2.406 565 D HA -0.088 4.552 4.640 -0.000 0.000 0.234 565 D C 0.421 176.838 176.300 0.196 0.000 1.196 565 D CA 0.139 54.227 54.000 0.147 0.000 0.881 565 D CB 0.355 41.239 40.800 0.139 0.000 1.205 565 D HN 0.307 nan 8.370 nan 0.000 0.453 566 T N 1.108 115.754 114.554 0.154 0.000 2.680 566 T HA -0.238 4.112 4.350 -0.000 0.000 0.268 566 T C 1.356 176.171 174.700 0.191 0.000 1.033 566 T CA 1.932 64.126 62.100 0.156 0.000 1.152 566 T CB -0.152 68.800 68.868 0.141 0.000 0.859 566 T HN 0.535 nan 8.240 nan 0.000 0.452 567 E N -0.847 119.486 120.200 0.220 0.000 2.474 567 E HA 0.215 4.565 4.350 -0.000 0.000 0.195 567 E C 1.392 178.136 176.600 0.241 0.000 1.039 567 E CA -0.353 56.173 56.400 0.210 0.000 0.881 567 E CB -0.057 29.749 29.700 0.177 0.000 0.970 567 E HN 0.459 nan 8.360 nan 0.000 0.486 568 F N 1.341 121.392 119.950 0.168 0.000 2.043 568 F HA -0.328 4.199 4.527 -0.000 0.000 0.297 568 F C 1.804 177.693 175.800 0.149 0.000 1.118 568 F CA 1.581 59.682 58.000 0.169 0.000 1.202 568 F CB 0.031 39.131 39.000 0.167 0.000 0.965 568 F HN -0.014 nan 8.300 nan 0.000 0.482 569 I N 0.416 121.258 120.570 0.453 0.000 2.208 569 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 569 I C 2.352 178.623 176.117 0.256 0.000 1.097 569 I CA 1.811 63.322 61.300 0.352 0.000 1.363 569 I CB -0.909 37.240 38.000 0.249 0.000 1.051 569 I HN 0.247 nan 8.210 nan 0.000 0.413 570 E N 1.139 121.455 120.200 0.193 0.000 2.033 570 E HA -0.253 4.097 4.350 -0.000 0.000 0.199 570 E C 2.317 178.974 176.600 0.095 0.000 1.011 570 E CA 1.695 58.178 56.400 0.138 0.000 0.815 570 E CB -0.212 29.563 29.700 0.125 0.000 0.755 570 E HN 0.411 nan 8.360 nan 0.000 0.451 571 L N -0.105 121.144 121.223 0.044 0.000 1.978 571 L HA -0.277 4.063 4.340 -0.000 0.000 0.218 571 L C 2.670 179.528 176.870 -0.020 0.000 1.075 571 L CA 2.046 56.859 54.840 -0.045 0.000 0.767 571 L CB -0.875 41.068 42.059 -0.194 0.000 0.890 571 L HN 0.341 nan 8.230 nan 0.000 0.434 572 Y N 0.845 121.088 120.300 -0.096 0.000 2.139 572 Y HA -0.351 4.199 4.550 -0.000 0.000 0.282 572 Y C 2.587 178.535 175.900 0.080 0.000 1.179 572 Y CA 2.181 60.270 58.100 -0.018 0.000 1.161 572 Y CB -0.162 38.317 38.460 0.033 0.000 0.970 572 Y HN 0.182 nan 8.280 nan 0.000 0.511 573 E N 0.222 120.461 120.200 0.065 0.000 2.051 573 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 573 E C 2.034 178.612 176.600 -0.037 0.000 0.991 573 E CA 1.549 57.962 56.400 0.023 0.000 0.799 573 E CB -0.575 29.193 29.700 0.114 0.000 0.748 573 E HN 0.560 nan 8.360 nan 0.000 0.449 574 N N -0.829 117.865 118.700 -0.010 0.000 2.036 574 N HA -0.221 4.519 4.740 -0.000 0.000 0.195 574 N C 1.637 177.116 175.510 -0.052 0.000 1.037 574 N CA 1.626 54.661 53.050 -0.024 0.000 0.855 574 N CB -0.487 37.990 38.487 -0.016 0.000 1.033 574 N HN 0.201 nan 8.380 nan 0.000 0.423 575 F N 0.802 120.621 119.950 -0.218 0.000 2.120 575 F HA -0.141 4.386 4.527 -0.000 0.000 0.300 575 F C 1.841 177.485 175.800 -0.259 0.000 1.095 575 F CA 1.344 59.190 58.000 -0.256 0.000 1.249 575 F CB -0.313 38.478 39.000 -0.349 0.000 0.995 575 F HN 0.119 nan 8.300 nan 0.000 0.480 576 L N -0.425 120.567 121.223 -0.386 0.000 2.044 576 L HA -0.201 4.139 4.340 -0.000 0.000 0.205 576 L C 2.640 179.367 176.870 -0.238 0.000 1.075 576 L CA 1.505 56.110 54.840 -0.391 0.000 0.747 576 L CB -1.000 40.878 42.059 -0.302 0.000 0.903 576 L HN 0.223 nan 8.230 nan 0.000 0.435 577 S N -2.495 113.149 115.700 -0.094 0.000 2.474 577 S HA -0.145 4.325 4.470 -0.000 0.000 0.235 577 S C 1.762 176.402 174.600 0.067 0.000 0.997 577 S CA 1.423 59.659 58.200 0.060 0.000 0.949 577 S CB -0.374 62.983 63.200 0.261 0.000 0.766 577 S HN 0.304 nan 8.310 nan 0.000 0.517 578 T N 0.687 115.207 114.554 -0.057 0.000 3.044 578 T HA 0.201 4.551 4.350 -0.000 0.000 0.250 578 T C 1.201 175.807 174.700 -0.157 0.000 1.081 578 T CA 1.039 63.099 62.100 -0.067 0.000 1.040 578 T CB 0.046 68.855 68.868 -0.099 0.000 0.962 578 T HN 0.561 nan 8.240 nan 0.000 0.506 579 T N -0.620 113.764 114.554 -0.284 0.000 3.105 579 T HA 0.203 4.553 4.350 -0.000 0.000 0.257 579 T C 1.654 176.330 174.700 -0.040 0.000 0.949 579 T CA 0.047 62.005 62.100 -0.237 0.000 0.959 579 T CB 0.314 68.785 68.868 -0.662 0.000 1.205 579 T HN 0.075 nan 8.240 nan 0.000 0.496 580 V N 1.624 121.441 119.914 -0.162 0.000 2.949 580 V HA 0.145 4.265 4.120 -0.000 0.000 0.245 580 V C 1.660 177.741 176.094 -0.022 0.000 1.086 580 V CA 0.669 62.928 62.300 -0.069 0.000 1.097 580 V CB -0.117 31.621 31.823 -0.142 0.000 0.762 580 V HN 0.218 nan 8.190 nan 0.000 0.470 581 K N 1.792 122.173 120.400 -0.032 0.000 2.591 581 K HA 0.006 4.326 4.320 -0.000 0.000 0.197 581 K C 0.836 177.437 176.600 0.002 0.000 1.026 581 K CA 0.383 56.665 56.287 -0.009 0.000 1.127 581 K CB -0.466 32.035 32.500 0.002 0.000 0.871 581 K HN 0.671 nan 8.250 nan 0.000 0.507 582 D N 0.145 120.560 120.400 0.025 0.000 2.344 582 D HA -0.098 4.542 4.640 -0.000 0.000 0.242 582 D C 0.776 177.059 176.300 -0.029 0.000 1.159 582 D CA 0.001 54.013 54.000 0.019 0.000 0.859 582 D CB 0.178 41.023 40.800 0.076 0.000 0.925 582 D HN -0.058 nan 8.370 nan 0.000 0.510 583 D N 0.273 120.655 120.400 -0.029 0.000 2.347 583 D HA -0.008 4.632 4.640 -0.000 0.000 0.215 583 D C 1.830 178.100 176.300 -0.049 0.000 0.976 583 D CA 1.436 55.409 54.000 -0.045 0.000 0.884 583 D CB -0.026 40.755 40.800 -0.032 0.000 0.915 583 D HN 0.375 nan 8.370 nan 0.000 0.526 584 G N -0.325 108.449 108.800 -0.045 0.000 2.284 584 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.230 584 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.230 584 G C 1.276 176.147 174.900 -0.049 0.000 1.021 584 G CA 1.131 46.201 45.100 -0.050 0.000 0.619 584 G HN 0.572 nan 8.290 nan 0.000 0.510 585 S N 1.443 117.118 115.700 -0.040 0.000 2.516 585 S HA 0.042 4.512 4.470 -0.000 0.000 0.227 585 S C 1.028 175.602 174.600 -0.044 0.000 1.221 585 S CA 1.617 59.796 58.200 -0.036 0.000 1.780 585 S CB -0.696 62.490 63.200 -0.024 0.000 0.988 585 S HN 1.719 nan 8.310 nan 0.000 0.380 586 E N 1.238 121.419 120.200 -0.031 0.000 2.680 586 E HA -0.122 4.228 4.350 -0.000 0.000 0.278 586 E C -0.471 176.078 176.600 -0.084 0.000 1.018 586 E CA 0.024 56.403 56.400 -0.034 0.000 0.991 586 E CB -0.358 29.345 29.700 0.004 0.000 1.006 586 E HN 0.422 nan 8.360 nan 0.000 0.464 587 L N 3.310 124.436 121.223 -0.162 0.000 4.041 587 L HA -0.168 4.172 4.340 -0.000 0.000 0.390 587 L C 0.131 176.756 176.870 -0.408 0.000 0.985 587 L CA 1.134 55.727 54.840 -0.412 0.000 0.922 587 L CB -0.587 40.960 42.059 -0.854 0.000 1.508 587 L HN 0.539 nan 8.230 nan 0.000 0.609 588 L N 5.998 127.075 121.223 -0.243 0.000 2.843 588 L HA 0.392 4.732 4.340 -0.000 0.000 0.234 588 L C -1.844 174.906 176.870 -0.201 0.000 1.264 588 L CA -1.505 53.225 54.840 -0.183 0.000 1.052 588 L CB 0.215 42.207 42.059 -0.111 0.000 1.372 588 L HN 0.312 nan 8.230 nan 0.000 0.466 589 P HA -0.196 nan 4.420 nan 0.000 0.269 589 P C 1.319 178.537 177.300 -0.136 0.000 1.153 589 P CA 0.481 63.456 63.100 -0.209 0.000 0.754 589 P CB 0.608 32.165 31.700 -0.238 0.000 0.758 590 V N 1.126 120.983 119.914 -0.095 0.000 2.288 590 V HA -0.215 3.905 4.120 -0.000 0.000 0.229 590 V C 0.760 176.820 176.094 -0.056 0.000 0.983 590 V CA 1.766 64.027 62.300 -0.065 0.000 1.006 590 V CB -1.255 30.540 31.823 -0.047 0.000 0.660 590 V HN 0.535 nan 8.190 nan 0.000 0.490 591 S N 1.384 117.062 115.700 -0.036 0.000 2.564 591 S HA 0.429 4.899 4.470 -0.000 0.000 0.141 591 S C -0.896 173.703 174.600 -0.001 0.000 1.474 591 S CA 0.130 58.318 58.200 -0.020 0.000 1.236 591 S CB 0.185 63.377 63.200 -0.013 0.000 1.481 591 S HN 1.035 nan 8.310 nan 0.000 0.397 592 D N -0.028 120.375 120.400 0.005 0.000 3.279 592 D HA 0.084 4.724 4.640 -0.000 0.000 0.336 592 D C 0.025 176.369 176.300 0.074 0.000 1.512 592 D CA -0.501 53.522 54.000 0.039 0.000 0.754 592 D CB -0.016 40.800 40.800 0.027 0.000 1.278 592 D HN 0.220 nan 8.370 nan 0.000 0.553 593 R N 0.173 120.703 120.500 0.049 0.000 2.500 593 R HA 0.781 5.120 4.340 -0.000 0.000 0.275 593 R C -0.084 176.377 176.300 0.267 0.000 1.051 593 R CA -0.617 55.510 56.100 0.044 0.000 1.088 593 R CB 1.553 31.825 30.300 -0.046 0.000 1.063 593 R HN 0.076 nan 8.270 nan 0.000 0.511 594 L N 0.857 122.471 121.223 0.652 0.000 2.309 594 L HA 0.417 4.757 4.340 -0.000 0.000 0.261 594 L C -0.447 176.563 176.870 0.233 0.000 1.021 594 L CA -1.240 53.793 54.840 0.320 0.000 0.823 594 L CB 1.724 43.863 42.059 0.134 0.000 1.366 594 L HN 0.411 nan 8.230 nan 0.000 0.423 595 N N 2.298 121.096 118.700 0.164 0.000 2.462 595 N HA 0.425 5.165 4.740 -0.000 0.000 0.242 595 N C -1.042 174.548 175.510 0.132 0.000 1.010 595 N CA -0.239 52.945 53.050 0.224 0.000 0.939 595 N CB 1.075 39.668 38.487 0.177 0.000 1.127 595 N HN 0.323 nan 8.380 nan 0.000 0.509 596 I N 1.039 121.692 120.570 0.139 0.000 2.378 596 I HA 0.402 4.572 4.170 -0.000 0.000 0.291 596 I C 1.132 177.301 176.117 0.087 0.000 0.992 596 I CA -0.811 60.517 61.300 0.046 0.000 1.154 596 I CB 1.052 39.047 38.000 -0.009 0.000 1.315 596 I HN 0.285 nan 8.210 nan 0.000 0.448 597 G N 6.578 115.367 108.800 -0.018 0.000 2.425 597 G HA2 0.752 4.712 3.960 -0.000 0.000 0.302 597 G HA3 0.752 4.712 3.960 -0.000 0.000 0.302 597 G C -0.656 174.220 174.900 -0.039 0.000 1.159 597 G CA -0.438 44.642 45.100 -0.035 0.000 0.865 597 G HN 0.512 nan 8.290 nan 0.000 0.515 598 I N 0.846 121.403 120.570 -0.022 0.000 2.512 598 I HA 0.336 4.506 4.170 -0.000 0.000 0.287 598 I C -0.477 175.577 176.117 -0.106 0.000 1.069 598 I CA -0.950 60.333 61.300 -0.029 0.000 1.056 598 I CB 2.291 40.301 38.000 0.016 0.000 1.229 598 I HN 0.360 nan 8.210 nan 0.000 0.429 599 V N 1.809 121.651 119.914 -0.121 0.000 2.823 599 V HA 0.585 4.705 4.120 -0.000 0.000 0.312 599 V C -0.850 175.187 176.094 -0.095 0.000 1.072 599 V CA -0.782 61.377 62.300 -0.235 0.000 0.937 599 V CB 1.902 33.481 31.823 -0.406 0.000 1.013 599 V HN 0.540 nan 8.190 nan 0.000 0.430 600 H N 1.846 120.812 119.070 -0.173 0.000 2.541 600 H HA 0.687 5.243 4.556 -0.000 0.000 0.316 600 H C -0.665 174.565 175.328 -0.163 0.000 1.043 600 H CA -0.954 55.011 56.048 -0.139 0.000 1.232 600 H CB 1.635 31.330 29.762 -0.112 0.000 1.406 600 H HN 0.556 nan 8.280 nan 0.000 0.469 601 V N 3.387 123.291 119.914 -0.017 0.000 2.326 601 V HA 0.716 4.836 4.120 -0.000 0.000 0.281 601 V C 0.696 176.802 176.094 0.020 0.000 1.015 601 V CA 0.022 62.303 62.300 -0.031 0.000 0.823 601 V CB 0.947 32.747 31.823 -0.038 0.000 1.009 601 V HN 1.079 nan 8.190 nan 0.000 0.436 602 G N 3.760 112.576 108.800 0.026 0.000 2.359 602 G HA2 0.484 4.444 3.960 -0.000 0.000 0.303 602 G HA3 0.484 4.444 3.960 -0.000 0.000 0.303 602 G C -0.457 174.447 174.900 0.007 0.000 1.293 602 G CA -0.248 44.869 45.100 0.029 0.000 0.964 602 G HN 1.127 nan 8.290 nan 0.000 0.531 603 A N 0.436 123.255 122.820 -0.003 0.000 2.425 603 A HA 0.715 5.035 4.320 -0.000 0.000 0.242 603 A C -1.797 175.760 177.584 -0.046 0.000 1.077 603 A CA -0.402 51.626 52.037 -0.015 0.000 0.781 603 A CB -0.468 18.515 19.000 -0.029 0.000 1.020 603 A HN 0.589 nan 8.150 nan 0.000 0.494 604 P HA 0.167 nan 4.420 nan 0.000 0.266 604 P C -0.317 176.918 177.300 -0.108 0.000 1.195 604 P CA 0.324 63.376 63.100 -0.079 0.000 0.768 604 P CB 0.658 32.321 31.700 -0.061 0.000 0.838 605 S N 1.066 116.679 115.700 -0.144 0.000 2.806 605 S HA 0.672 5.142 4.470 -0.000 0.000 0.315 605 S C 0.695 175.201 174.600 -0.158 0.000 1.127 605 S CA -0.372 57.735 58.200 -0.154 0.000 0.918 605 S CB 1.636 64.732 63.200 -0.173 0.000 1.240 605 S HN 0.428 nan 8.310 nan 0.000 0.552 606 A N -0.562 122.168 122.820 -0.151 0.000 2.348 606 A HA 0.648 4.968 4.320 -0.000 0.000 0.224 606 A C 1.368 178.866 177.584 -0.143 0.000 1.227 606 A CA 0.491 52.443 52.037 -0.142 0.000 0.885 606 A CB -0.419 18.508 19.000 -0.122 0.000 0.933 606 A HN 0.862 nan 8.150 nan 0.000 0.506 607 A N -0.595 122.136 122.820 -0.149 0.000 2.390 607 A HA 0.446 4.766 4.320 -0.000 0.000 0.232 607 A C 1.598 179.095 177.584 -0.146 0.000 1.233 607 A CA -0.032 51.928 52.037 -0.127 0.000 0.907 607 A CB -0.346 18.590 19.000 -0.107 0.000 0.967 607 A HN 0.356 nan 8.150 nan 0.000 0.512 608 L N -0.004 121.082 121.223 -0.228 0.000 2.013 608 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 608 L C 2.263 179.021 176.870 -0.187 0.000 1.073 608 L CA 1.496 56.127 54.840 -0.348 0.000 0.753 608 L CB -0.672 41.004 42.059 -0.638 0.000 0.890 608 L HN 0.373 nan 8.230 nan 0.000 0.432 609 N N 0.332 118.927 118.700 -0.175 0.000 2.106 609 N HA -0.140 4.600 4.740 -0.000 0.000 0.188 609 N C 1.945 177.544 175.510 0.149 0.000 1.029 609 N CA 1.589 54.586 53.050 -0.088 0.000 0.848 609 N CB -0.471 37.798 38.487 -0.364 0.000 1.007 609 N HN 0.323 nan 8.380 nan 0.000 0.423 610 A N 1.290 124.140 122.820 0.050 0.000 1.892 610 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 610 A C 2.408 180.040 177.584 0.080 0.000 1.188 610 A CA 2.413 54.498 52.037 0.081 0.000 0.631 610 A CB -0.986 18.025 19.000 0.018 0.000 0.822 610 A HN 0.359 nan 8.150 nan 0.000 0.447 611 A N -1.387 121.459 122.820 0.042 0.000 1.873 611 A HA -0.069 4.251 4.320 -0.000 0.000 0.215 611 A C 2.316 179.960 177.584 0.101 0.000 1.186 611 A CA 2.293 54.359 52.037 0.048 0.000 0.616 611 A CB -1.381 17.632 19.000 0.021 0.000 0.823 611 A HN 0.437 nan 8.150 nan 0.000 0.442 612 T N -0.563 114.092 114.554 0.167 0.000 2.699 612 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 612 T C 2.042 176.858 174.700 0.194 0.000 1.036 612 T CA 1.762 64.010 62.100 0.247 0.000 1.147 612 T CB -0.278 68.848 68.868 0.429 0.000 0.862 612 T HN 0.612 nan 8.240 nan 0.000 0.446 613 R N 1.068 121.701 120.500 0.223 0.000 2.080 613 R HA -0.077 4.263 4.340 -0.000 0.000 0.236 613 R C 2.625 178.910 176.300 -0.026 0.000 1.137 613 R CA 1.649 57.771 56.100 0.036 0.000 0.943 613 R CB -0.625 29.713 30.300 0.064 0.000 0.846 613 R HN 0.338 nan 8.270 nan 0.000 0.431 614 A N 0.828 123.654 122.820 0.011 0.000 1.892 614 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 614 A C 2.457 180.053 177.584 0.020 0.000 1.188 614 A CA 2.107 54.142 52.037 -0.005 0.000 0.631 614 A CB -1.139 17.858 19.000 -0.005 0.000 0.822 614 A HN 0.620 nan 8.150 nan 0.000 0.447 615 A N -1.224 121.619 122.820 0.038 0.000 1.908 615 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 615 A C 2.325 179.947 177.584 0.063 0.000 1.181 615 A CA 2.412 54.486 52.037 0.061 0.000 0.627 615 A CB -1.340 17.699 19.000 0.066 0.000 0.818 615 A HN 0.469 nan 8.150 nan 0.000 0.445 616 T N 0.654 115.214 114.554 0.010 0.000 2.674 616 T HA -0.118 4.232 4.350 -0.000 0.000 0.265 616 T C 1.850 176.534 174.700 -0.027 0.000 1.039 616 T CA 1.535 63.612 62.100 -0.038 0.000 1.150 616 T CB -0.485 68.302 68.868 -0.136 0.000 0.864 616 T HN 0.373 nan 8.240 nan 0.000 0.427 617 L N -0.466 120.725 121.223 -0.053 0.000 1.990 617 L HA -0.169 4.171 4.340 -0.000 0.000 0.213 617 L C 2.406 179.304 176.870 0.047 0.000 1.072 617 L CA 1.849 56.680 54.840 -0.015 0.000 0.755 617 L CB -0.738 41.286 42.059 -0.059 0.000 0.889 617 L HN 0.222 nan 8.230 nan 0.000 0.432 618 Y N 0.191 120.443 120.300 -0.079 0.000 2.081 618 Y HA -0.373 4.177 4.550 -0.000 0.000 0.280 618 Y C 2.788 178.613 175.900 -0.126 0.000 1.163 618 Y CA 1.664 59.684 58.100 -0.132 0.000 1.135 618 Y CB -0.685 37.693 38.460 -0.137 0.000 0.970 618 Y HN 0.214 nan 8.280 nan 0.000 0.498 619 C N 0.070 119.409 119.300 0.065 0.000 2.393 619 C HA -0.254 4.206 4.460 -0.000 0.000 0.276 619 C C 2.846 177.857 174.990 0.035 0.000 1.215 619 C CA 1.494 60.570 59.018 0.096 0.000 1.743 619 C CB -1.559 26.243 27.740 0.103 0.000 2.044 619 C HN 0.598 nan 8.230 nan 0.000 0.464 620 L N 0.418 121.649 121.223 0.012 0.000 2.079 620 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 620 L C 2.743 179.602 176.870 -0.019 0.000 1.081 620 L CA 1.686 56.532 54.840 0.010 0.000 0.752 620 L CB -0.878 41.212 42.059 0.053 0.000 0.896 620 L HN 0.425 nan 8.230 nan 0.000 0.433 621 S N -0.531 115.133 115.700 -0.061 0.000 2.359 621 S HA -0.247 4.223 4.470 -0.000 0.000 0.222 621 S C 1.937 176.543 174.600 0.011 0.000 1.038 621 S CA 1.617 59.780 58.200 -0.062 0.000 1.051 621 S CB -0.258 62.836 63.200 -0.177 0.000 0.944 621 S HN 0.494 nan 8.310 nan 0.000 0.433 622 H N 0.271 119.171 119.070 -0.282 0.000 2.559 622 H HA 0.262 4.818 4.556 -0.000 0.000 0.273 622 H C 1.696 176.805 175.328 -0.366 0.000 1.000 622 H CA 0.429 56.272 56.048 -0.342 0.000 1.195 622 H CB -0.553 28.952 29.762 -0.428 0.000 1.368 622 H HN 0.586 nan 8.280 nan 0.000 0.592 623 G N 0.097 108.826 108.800 -0.119 0.000 2.141 623 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.231 623 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.231 623 G C -0.007 174.835 174.900 -0.097 0.000 0.984 623 G CA -0.104 44.927 45.100 -0.115 0.000 0.660 623 G HN 0.444 nan 8.290 nan 0.000 0.525 624 H N 0.117 119.200 119.070 0.022 0.000 2.603 624 H HA 0.457 5.013 4.556 -0.000 0.000 0.370 624 H C 0.361 175.685 175.328 -0.006 0.000 1.225 624 H CA 0.139 56.203 56.048 0.028 0.000 1.410 624 H CB 0.854 30.641 29.762 0.042 0.000 1.495 624 H HN 0.166 nan 8.280 nan 0.000 0.602 625 K N 2.992 123.480 120.400 0.146 0.000 2.367 625 K HA 0.247 4.567 4.320 -0.000 0.000 0.263 625 K C -2.555 173.980 176.600 -0.108 0.000 1.000 625 K CA -1.758 54.510 56.287 -0.032 0.000 0.891 625 K CB 1.544 34.041 32.500 -0.005 0.000 1.117 625 K HN 0.363 nan 8.250 nan 0.000 0.443 626 P HA 0.144 nan 4.420 nan 0.000 0.293 626 P C -1.377 175.738 177.300 -0.309 0.000 1.300 626 P CA -0.350 62.667 63.100 -0.139 0.000 0.792 626 P CB 0.580 32.235 31.700 -0.075 0.000 0.925 627 Y N 1.540 121.832 120.300 -0.014 0.000 2.409 627 Y HA 0.548 5.098 4.550 -0.000 0.000 0.339 627 Y C 0.677 176.559 175.900 -0.029 0.000 1.033 627 Y CA -0.829 57.259 58.100 -0.019 0.000 1.094 627 Y CB 1.942 40.386 38.460 -0.027 0.000 1.210 627 Y HN 0.400 nan 8.280 nan 0.000 0.456 628 A N 4.552 127.439 122.820 0.110 0.000 2.249 628 A HA 0.564 4.884 4.320 -0.000 0.000 0.314 628 A C -0.632 176.965 177.584 0.022 0.000 1.290 628 A CA -0.612 51.446 52.037 0.036 0.000 0.893 628 A CB -0.285 18.739 19.000 0.040 0.000 1.165 628 A HN 0.806 nan 8.150 nan 0.000 0.530 629 I N 4.739 125.288 120.570 -0.034 0.000 2.278 629 I HA 0.053 4.223 4.170 -0.000 0.000 0.296 629 I C 0.025 176.087 176.117 -0.091 0.000 1.121 629 I CA -0.308 60.971 61.300 -0.034 0.000 1.267 629 I CB 0.310 38.299 38.000 -0.019 0.000 1.447 629 I HN 0.546 nan 8.210 nan 0.000 0.509 630 M N 5.670 125.232 119.600 -0.063 0.000 2.245 630 M HA -0.047 4.433 4.480 -0.000 0.000 0.335 630 M C 0.947 177.198 176.300 -0.081 0.000 1.155 630 M CA 0.631 55.886 55.300 -0.075 0.000 1.055 630 M CB -0.645 31.930 32.600 -0.042 0.000 1.670 630 M HN 0.551 nan 8.290 nan 0.000 0.447 631 N N 1.448 120.095 118.700 -0.088 0.000 2.705 631 N HA -0.164 4.575 4.740 -0.000 0.000 0.255 631 N C 0.671 176.142 175.510 -0.066 0.000 1.008 631 N CA 1.130 54.142 53.050 -0.065 0.000 0.742 631 N CB -1.655 36.810 38.487 -0.037 0.000 0.906 631 N HN 1.159 nan 8.380 nan 0.000 0.541 632 G N -0.178 108.548 108.800 -0.124 0.000 2.707 632 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.279 632 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.279 632 G C 0.830 175.679 174.900 -0.085 0.000 1.345 632 G CA 0.299 45.292 45.100 -0.177 0.000 0.912 632 G HN 0.160 nan 8.290 nan 0.000 0.563 633 F N 1.385 121.339 119.950 0.007 0.000 2.126 633 F HA -0.108 4.419 4.527 -0.000 0.000 0.299 633 F C 3.185 178.980 175.800 -0.008 0.000 1.096 633 F CA 2.259 60.258 58.000 -0.001 0.000 1.255 633 F CB -1.007 37.983 39.000 -0.017 0.000 0.997 633 F HN 0.679 nan 8.300 nan 0.000 0.479 634 S N -0.128 115.685 115.700 0.188 0.000 2.383 634 S HA -0.135 4.335 4.470 -0.000 0.000 0.229 634 S C 2.430 177.069 174.600 0.064 0.000 1.030 634 S CA 1.340 59.601 58.200 0.102 0.000 1.002 634 S CB -1.368 61.875 63.200 0.072 0.000 0.829 634 S HN 0.355 nan 8.310 nan 0.000 0.467 635 G N 1.544 110.369 108.800 0.042 0.000 2.402 635 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.216 635 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.216 635 G C 1.366 176.254 174.900 -0.020 0.000 1.162 635 G CA 0.892 45.994 45.100 0.003 0.000 0.777 635 G HN 0.468 nan 8.290 nan 0.000 0.539 636 L N 1.075 122.299 121.223 0.001 0.000 1.994 636 L HA 0.029 4.369 4.340 -0.000 0.000 0.208 636 L C 2.766 179.575 176.870 -0.101 0.000 1.071 636 L CA 1.414 56.207 54.840 -0.078 0.000 0.745 636 L CB -0.631 41.469 42.059 0.069 0.000 0.892 636 L HN 0.277 nan 8.230 nan 0.000 0.431 637 I N -0.701 119.906 120.570 0.061 0.000 2.151 637 I HA -0.351 3.819 4.170 -0.000 0.000 0.243 637 I C 2.499 178.673 176.117 0.094 0.000 1.080 637 I CA 1.807 63.181 61.300 0.124 0.000 1.339 637 I CB -0.414 37.642 38.000 0.093 0.000 1.039 637 I HN 0.429 nan 8.210 nan 0.000 0.409 638 Q N 0.728 120.554 119.800 0.043 0.000 2.297 638 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 638 Q C 1.665 177.678 176.000 0.021 0.000 0.962 638 Q CA 2.011 57.835 55.803 0.035 0.000 0.879 638 Q CB 0.045 28.796 28.738 0.022 0.000 0.947 638 Q HN 0.623 nan 8.270 nan 0.000 0.462 639 T N -6.841 107.693 114.554 -0.034 0.000 3.046 639 T HA 0.302 4.652 4.350 -0.000 0.000 0.270 639 T C 1.225 175.831 174.700 -0.157 0.000 0.920 639 T CA 0.304 62.375 62.100 -0.049 0.000 0.874 639 T CB 0.140 68.985 68.868 -0.039 0.000 1.214 639 T HN 0.411 nan 8.240 nan 0.000 0.536 640 G N 1.922 110.434 108.800 -0.480 0.000 2.212 640 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.267 640 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.267 640 G C -0.195 174.465 174.900 -0.401 0.000 1.002 640 G CA 0.439 44.901 45.100 -1.064 0.000 0.729 640 G HN 0.718 nan 8.290 nan 0.000 0.517 641 E N -0.177 119.898 120.200 -0.208 0.000 2.220 641 E HA 0.361 4.711 4.350 -0.000 0.000 0.272 641 E C -0.201 176.368 176.600 -0.050 0.000 1.099 641 E CA -0.062 56.289 56.400 -0.082 0.000 0.907 641 E CB 0.967 30.638 29.700 -0.047 0.000 1.022 641 E HN 0.130 nan 8.360 nan 0.000 0.428 642 V N 5.811 125.725 119.914 -0.000 0.000 2.439 642 V HA 0.117 4.237 4.120 -0.000 0.000 0.277 642 V C -0.270 175.914 176.094 0.150 0.000 1.008 642 V CA -0.884 61.452 62.300 0.060 0.000 0.846 642 V CB 1.107 32.950 31.823 0.033 0.000 1.031 642 V HN 0.534 nan 8.190 nan 0.000 0.441 643 K N 2.756 123.237 120.400 0.136 0.000 2.156 643 K HA 0.641 4.961 4.320 -0.000 0.000 0.271 643 K C -0.166 176.503 176.600 0.115 0.000 0.995 643 K CA -0.630 55.736 56.287 0.131 0.000 0.890 643 K CB 2.357 34.898 32.500 0.069 0.000 1.073 643 K HN 0.627 nan 8.250 nan 0.000 0.454 644 E N 4.439 124.661 120.200 0.036 0.000 2.290 644 E HA 0.081 4.431 4.350 -0.000 0.000 0.277 644 E C -0.883 175.614 176.600 -0.172 0.000 1.035 644 E CA -0.543 55.694 56.400 -0.271 0.000 0.873 644 E CB 0.631 30.147 29.700 -0.306 0.000 1.029 644 E HN 0.512 nan 8.360 nan 0.000 0.419 645 L N 4.066 125.164 121.223 -0.208 0.000 2.326 645 L HA 0.218 4.558 4.340 -0.000 0.000 0.278 645 L C 0.434 177.212 176.870 -0.152 0.000 1.092 645 L CA -0.440 54.305 54.840 -0.158 0.000 0.810 645 L CB 1.269 43.231 42.059 -0.161 0.000 1.153 645 L HN 0.620 nan 8.230 nan 0.000 0.439 646 S N 0.917 116.538 115.700 -0.132 0.000 2.681 646 S HA 0.193 4.662 4.470 -0.000 0.000 0.299 646 S C 0.436 174.991 174.600 -0.076 0.000 1.113 646 S CA -0.844 57.317 58.200 -0.066 0.000 1.013 646 S CB 1.342 64.528 63.200 -0.023 0.000 1.076 646 S HN 0.758 nan 8.310 nan 0.000 0.534 647 W N 1.748 122.952 121.300 -0.160 0.000 2.302 647 W HA -0.151 4.509 4.660 -0.000 0.000 0.320 647 W C 1.720 178.115 176.519 -0.208 0.000 1.241 647 W CA 1.410 58.649 57.345 -0.177 0.000 1.264 647 W CB -0.147 29.234 29.460 -0.132 0.000 1.154 647 W HN 0.637 nan 8.180 nan 0.000 0.483 648 I N 0.957 121.602 120.570 0.125 0.000 2.676 648 I HA -0.218 3.952 4.170 -0.000 0.000 0.259 648 I C 1.469 177.448 176.117 -0.229 0.000 1.194 648 I CA 1.675 62.964 61.300 -0.018 0.000 1.473 648 I CB -1.137 36.964 38.000 0.169 0.000 1.096 648 I HN 0.001 nan 8.210 nan 0.000 0.443 649 D N 0.054 120.299 120.400 -0.258 0.000 2.117 649 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 649 D C 2.028 177.873 176.300 -0.758 0.000 0.987 649 D CA 0.933 54.736 54.000 -0.328 0.000 0.829 649 D CB -0.087 40.550 40.800 -0.272 0.000 0.961 649 D HN 0.155 nan 8.370 nan 0.000 0.460 650 V N 0.871 120.185 119.914 -0.999 0.000 3.630 650 V HA -0.070 4.050 4.120 -0.000 0.000 0.273 650 V C 0.431 175.864 176.094 -1.101 0.000 1.248 650 V CA 0.120 61.489 62.300 -1.552 0.000 1.170 650 V CB -0.419 30.782 31.823 -1.037 0.000 0.899 650 V HN 0.014 nan 8.190 nan 0.000 0.457 651 E N 1.189 120.935 120.200 -0.757 0.000 2.414 651 E HA -0.033 4.317 4.350 -0.000 0.000 0.263 651 E C 0.982 177.492 176.600 -0.151 0.000 1.000 651 E CA 0.519 56.645 56.400 -0.456 0.000 0.914 651 E CB -0.005 29.504 29.700 -0.318 0.000 0.948 651 E HN 0.416 nan 8.360 nan 0.000 0.444 652 N N 2.892 121.602 118.700 0.018 0.000 2.778 652 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 652 N C -0.313 175.288 175.510 0.152 0.000 1.069 652 N CA 1.070 54.215 53.050 0.159 0.000 0.831 652 N CB -1.228 37.315 38.487 0.092 0.000 1.142 652 N HN 0.584 nan 8.380 nan 0.000 0.573 653 W N 1.310 122.557 121.300 -0.089 0.000 2.678 653 W HA 0.080 4.740 4.660 -0.000 0.000 0.256 653 W C 2.265 178.690 176.519 -0.156 0.000 1.280 653 W CA 1.048 58.318 57.345 -0.125 0.000 1.345 653 W CB -0.781 28.625 29.460 -0.090 0.000 1.118 653 W HN 0.446 nan 8.180 nan 0.000 0.629 654 H N 0.077 119.213 119.070 0.109 0.000 2.489 654 H HA -0.087 4.469 4.556 -0.000 0.000 0.295 654 H C 0.553 175.879 175.328 -0.004 0.000 1.082 654 H CA 1.703 57.767 56.048 0.027 0.000 1.295 654 H CB -0.761 28.994 29.762 -0.012 0.000 1.380 654 H HN 0.210 nan 8.280 nan 0.000 0.548 655 N N -0.043 118.285 118.700 -0.620 0.000 2.240 655 N HA 0.122 4.862 4.740 -0.000 0.000 0.240 655 N C -0.408 174.942 175.510 -0.267 0.000 1.277 655 N CA -0.329 52.482 53.050 -0.397 0.000 0.873 655 N CB -0.161 38.038 38.487 -0.481 0.000 1.222 655 N HN 0.224 nan 8.380 nan 0.000 0.507 656 L N 1.350 122.435 121.223 -0.230 0.000 2.257 656 L HA 0.604 4.944 4.340 -0.000 0.000 0.290 656 L C 0.689 177.439 176.870 -0.200 0.000 1.044 656 L CA -0.710 54.010 54.840 -0.201 0.000 0.810 656 L CB 0.833 42.762 42.059 -0.218 0.000 1.193 656 L HN 0.251 nan 8.230 nan 0.000 0.425 657 G N 2.230 110.928 108.800 -0.171 0.000 2.621 657 G HA2 0.522 4.482 3.960 -0.000 0.000 0.271 657 G HA3 0.522 4.482 3.960 -0.000 0.000 0.271 657 G C 0.229 175.023 174.900 -0.178 0.000 1.236 657 G CA 0.410 45.414 45.100 -0.160 0.000 0.958 657 G HN 1.005 nan 8.290 nan 0.000 0.512 658 G N -1.237 107.467 108.800 -0.161 0.000 2.593 658 G HA2 0.172 4.132 3.960 -0.000 0.000 0.237 658 G HA3 0.172 4.132 3.960 -0.000 0.000 0.237 658 G C 0.196 174.979 174.900 -0.196 0.000 1.312 658 G CA 0.588 45.595 45.100 -0.156 0.000 0.896 658 G HN 1.960 nan 8.290 nan 0.000 0.574 659 S N -0.656 114.941 115.700 -0.171 0.000 2.789 659 S HA 0.537 5.007 4.470 -0.000 0.000 0.286 659 S C 0.788 175.271 174.600 -0.195 0.000 1.153 659 S CA 0.310 58.427 58.200 -0.139 0.000 1.084 659 S CB 1.366 64.585 63.200 0.031 0.000 1.036 659 S HN 0.543 nan 8.310 nan 0.000 0.484 660 E N 3.202 123.159 120.200 -0.404 0.000 2.204 660 E HA -0.089 4.261 4.350 -0.000 0.000 0.195 660 E C 1.565 178.026 176.600 -0.231 0.000 0.990 660 E CA 1.337 57.482 56.400 -0.425 0.000 0.821 660 E CB -0.078 29.100 29.700 -0.870 0.000 0.750 660 E HN 0.928 nan 8.360 nan 0.000 0.477 661 I N -3.526 116.927 120.570 -0.196 0.000 3.860 661 I HA 0.342 4.512 4.170 -0.000 0.000 0.319 661 I C 0.744 176.790 176.117 -0.118 0.000 1.279 661 I CA 0.332 61.554 61.300 -0.129 0.000 1.220 661 I CB 0.241 38.133 38.000 -0.180 0.000 1.027 661 I HN -0.068 nan 8.210 nan 0.000 0.428 662 G N 1.281 110.032 108.800 -0.081 0.000 2.907 662 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.686 662 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.686 662 G C -0.553 174.334 174.900 -0.021 0.000 1.115 662 G CA -0.173 44.897 45.100 -0.051 0.000 0.760 662 G HN 0.420 nan 8.290 nan 0.000 0.620 663 T N 0.669 115.228 114.554 0.008 0.000 2.956 663 T HA 0.783 5.133 4.350 -0.000 0.000 0.312 663 T C -0.328 174.377 174.700 0.008 0.000 1.151 663 T CA 0.225 62.344 62.100 0.033 0.000 1.024 663 T CB 1.403 70.311 68.868 0.067 0.000 1.140 663 T HN 2.058 nan 8.240 nan 0.000 0.473 664 N N 1.612 120.317 118.700 0.008 0.000 2.823 664 N HA 0.411 5.151 4.740 -0.000 0.000 0.251 664 N C 0.096 175.628 175.510 0.037 0.000 1.392 664 N CA -1.025 52.037 53.050 0.019 0.000 0.864 664 N CB 0.966 39.465 38.487 0.018 0.000 1.481 664 N HN 0.425 nan 8.380 nan 0.000 0.508 665 R N -0.238 120.292 120.500 0.050 0.000 2.307 665 R HA 0.088 4.428 4.340 -0.000 0.000 0.199 665 R C 0.105 176.463 176.300 0.097 0.000 1.000 665 R CA 0.463 56.607 56.100 0.074 0.000 1.023 665 R CB -0.352 29.992 30.300 0.073 0.000 0.908 665 R HN 0.750 nan 8.270 nan 0.000 0.473 666 S N 0.787 116.543 115.700 0.094 0.000 2.573 666 S HA 0.091 4.561 4.470 -0.000 0.000 0.297 666 S C 0.589 175.298 174.600 0.181 0.000 1.280 666 S CA -0.787 57.482 58.200 0.116 0.000 1.061 666 S CB 0.660 63.928 63.200 0.113 0.000 0.812 666 S HN 0.104 nan 8.310 nan 0.000 0.500 667 V N 0.538 120.536 119.914 0.141 0.000 2.966 667 V HA 0.822 4.942 4.120 -0.000 0.000 0.317 667 V C 1.491 177.574 176.094 -0.019 0.000 1.070 667 V CA -0.532 61.850 62.300 0.137 0.000 1.008 667 V CB 0.345 32.202 31.823 0.057 0.000 1.070 667 V HN 1.112 nan 8.190 nan 0.000 0.457 668 A N 1.358 124.006 122.820 -0.288 0.000 1.978 668 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 668 A C 2.247 179.574 177.584 -0.429 0.000 1.170 668 A CA 2.424 53.978 52.037 -0.806 0.000 0.636 668 A CB -1.145 17.242 19.000 -1.020 0.000 0.810 668 A HN 1.629 nan 8.150 nan 0.000 0.448 669 S N -0.154 115.394 115.700 -0.253 0.000 2.537 669 S HA -0.163 4.307 4.470 -0.000 0.000 0.240 669 S C 1.541 176.076 174.600 -0.107 0.000 0.981 669 S CA 1.178 59.282 58.200 -0.161 0.000 0.948 669 S CB -0.429 62.705 63.200 -0.110 0.000 0.759 669 S HN 0.744 nan 8.310 nan 0.000 0.531 670 E N 1.317 121.457 120.200 -0.100 0.000 2.333 670 E HA -0.186 4.164 4.350 -0.000 0.000 0.198 670 E C 0.076 176.645 176.600 -0.051 0.000 1.007 670 E CA 1.192 57.563 56.400 -0.049 0.000 0.845 670 E CB 0.101 29.792 29.700 -0.015 0.000 0.766 670 E HN 0.539 nan 8.360 nan 0.000 0.507 671 D N -0.679 119.669 120.400 -0.086 0.000 4.135 671 D HA -0.062 4.578 4.640 -0.000 0.000 0.227 671 D C 0.469 176.700 176.300 -0.115 0.000 1.501 671 D CA -0.153 53.806 54.000 -0.069 0.000 1.027 671 D CB -0.623 40.158 40.800 -0.033 0.000 1.320 671 D HN 0.160 nan 8.370 nan 0.000 0.855 672 L N 1.167 122.303 121.223 -0.144 0.000 2.211 672 L HA -0.064 4.275 4.340 -0.000 0.000 0.216 672 L C 2.119 178.823 176.870 -0.276 0.000 1.092 672 L CA 2.867 57.594 54.840 -0.188 0.000 0.767 672 L CB -0.261 41.736 42.059 -0.104 0.000 0.894 672 L HN 0.438 nan 8.230 nan 0.000 0.437 673 G N -2.985 105.696 108.800 -0.198 0.000 2.404 673 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.213 673 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.213 673 G C 1.452 176.284 174.900 -0.114 0.000 1.189 673 G CA 0.835 45.827 45.100 -0.179 0.000 0.796 673 G HN 0.371 nan 8.290 nan 0.000 0.532 674 T N 1.453 115.971 114.554 -0.059 0.000 2.833 674 T HA -0.033 4.317 4.350 -0.000 0.000 0.269 674 T C 2.321 177.098 174.700 0.129 0.000 1.054 674 T CA 0.738 62.843 62.100 0.009 0.000 1.135 674 T CB -0.117 68.785 68.868 0.057 0.000 0.869 674 T HN 0.215 nan 8.240 nan 0.000 0.466 675 I N 1.255 121.829 120.570 0.007 0.000 2.090 675 I HA -0.184 3.986 4.170 -0.000 0.000 0.236 675 I C 2.964 178.990 176.117 -0.151 0.000 1.064 675 I CA 1.211 62.467 61.300 -0.072 0.000 1.324 675 I CB -0.590 37.198 38.000 -0.353 0.000 1.044 675 I HN 0.181 nan 8.210 nan 0.000 0.399 676 A N 0.165 122.877 122.820 -0.179 0.000 1.958 676 A HA -0.326 3.994 4.320 -0.000 0.000 0.221 676 A C 2.293 179.833 177.584 -0.073 0.000 1.178 676 A CA 2.009 53.900 52.037 -0.244 0.000 0.642 676 A CB -1.237 17.299 19.000 -0.773 0.000 0.816 676 A HN 0.595 nan 8.150 nan 0.000 0.453 677 Y N -0.894 119.302 120.300 -0.173 0.000 2.128 677 Y HA -0.300 4.250 4.550 -0.000 0.000 0.284 677 Y C 2.115 177.925 175.900 -0.151 0.000 1.154 677 Y CA 2.136 60.115 58.100 -0.203 0.000 1.149 677 Y CB -0.569 37.683 38.460 -0.346 0.000 0.976 677 Y HN 0.408 nan 8.280 nan 0.000 0.505 678 Y N -2.015 118.298 120.300 0.021 0.000 2.337 678 Y HA -0.160 4.390 4.550 -0.000 0.000 0.293 678 Y C 2.143 178.120 175.900 0.128 0.000 1.123 678 Y CA 0.705 58.804 58.100 -0.001 0.000 1.201 678 Y CB -0.465 38.087 38.460 0.152 0.000 1.011 678 Y HN 0.090 nan 8.280 nan 0.000 0.545 679 F N 0.633 120.660 119.950 0.128 0.000 2.171 679 F HA -0.262 4.264 4.527 -0.000 0.000 0.300 679 F C 2.518 178.309 175.800 -0.016 0.000 1.090 679 F CA 1.390 59.440 58.000 0.084 0.000 1.293 679 F CB -1.027 38.081 39.000 0.180 0.000 1.013 679 F HN 0.164 nan 8.300 nan 0.000 0.486 680 Q N 0.410 120.290 119.800 0.133 0.000 2.020 680 Q HA -0.222 4.118 4.340 -0.000 0.000 0.198 680 Q C 2.368 178.302 176.000 -0.111 0.000 0.974 680 Q CA 1.597 57.389 55.803 -0.019 0.000 0.829 680 Q CB -0.197 28.491 28.738 -0.084 0.000 0.894 680 Q HN 0.302 nan 8.270 nan 0.000 0.433 681 K N 0.112 120.366 120.400 -0.243 0.000 2.173 681 K HA -0.168 4.151 4.320 -0.000 0.000 0.207 681 K C 1.060 177.582 176.600 -0.130 0.000 1.046 681 K CA 1.611 57.746 56.287 -0.254 0.000 0.929 681 K CB -0.009 32.266 32.500 -0.375 0.000 0.720 681 K HN 0.242 nan 8.250 nan 0.000 0.453 682 N N 0.901 119.538 118.700 -0.104 0.000 2.314 682 N HA -0.011 4.729 4.740 -0.000 0.000 0.200 682 N C -0.725 174.656 175.510 -0.216 0.000 1.135 682 N CA 0.210 53.140 53.050 -0.199 0.000 0.835 682 N CB 0.612 38.942 38.487 -0.260 0.000 0.989 682 N HN 0.074 nan 8.380 nan 0.000 0.478 683 K N 0.732 121.065 120.400 -0.112 0.000 3.177 683 K HA -0.181 4.138 4.320 -0.000 0.000 0.266 683 K C -0.206 176.352 176.600 -0.070 0.000 0.937 683 K CA 0.545 56.791 56.287 -0.068 0.000 0.702 683 K CB -2.006 30.466 32.500 -0.046 0.000 1.365 683 K HN 0.413 nan 8.250 nan 0.000 0.466 684 L N 0.546 121.718 121.223 -0.085 0.000 2.397 684 L HA 0.086 4.426 4.340 -0.000 0.000 0.271 684 L C 1.481 178.328 176.870 -0.038 0.000 1.148 684 L CA -0.029 54.750 54.840 -0.102 0.000 0.825 684 L CB 0.436 42.352 42.059 -0.239 0.000 1.117 684 L HN 0.081 nan 8.230 nan 0.000 0.456 685 D N 1.322 121.711 120.400 -0.018 0.000 2.423 685 D HA 0.196 4.836 4.640 -0.000 0.000 0.208 685 D C 0.631 176.930 176.300 -0.001 0.000 1.068 685 D CA 0.389 54.395 54.000 0.010 0.000 0.860 685 D CB 1.428 42.248 40.800 0.033 0.000 0.992 685 D HN 0.680 nan 8.370 nan 0.000 0.504 686 G N 0.465 109.243 108.800 -0.038 0.000 2.677 686 G HA2 0.518 4.478 3.960 -0.000 0.000 0.291 686 G HA3 0.518 4.478 3.960 -0.000 0.000 0.291 686 G C -2.209 172.633 174.900 -0.097 0.000 1.435 686 G CA -0.532 44.547 45.100 -0.034 0.000 0.826 686 G HN 0.018 nan 8.290 nan 0.000 0.491 687 L N 0.323 121.507 121.223 -0.065 0.000 2.436 687 L HA 0.765 5.105 4.340 -0.000 0.000 0.268 687 L C -1.129 175.736 176.870 -0.010 0.000 0.974 687 L CA -0.719 54.060 54.840 -0.102 0.000 0.826 687 L CB 1.778 43.754 42.059 -0.139 0.000 1.291 687 L HN 0.489 nan 8.230 nan 0.000 0.406 688 I N 5.909 126.475 120.570 -0.007 0.000 2.378 688 I HA 0.428 4.598 4.170 -0.000 0.000 0.291 688 I C -0.662 175.468 176.117 0.022 0.000 0.992 688 I CA -0.447 60.870 61.300 0.028 0.000 1.154 688 I CB 1.678 39.706 38.000 0.048 0.000 1.315 688 I HN 0.505 nan 8.210 nan 0.000 0.448 689 I N 7.450 128.037 120.570 0.028 0.000 2.330 689 I HA 0.332 4.501 4.170 -0.000 0.000 0.289 689 I C -0.579 175.558 176.117 0.034 0.000 1.001 689 I CA -0.507 60.805 61.300 0.019 0.000 1.193 689 I CB 1.398 39.414 38.000 0.027 0.000 1.345 689 I HN 0.332 nan 8.210 nan 0.000 0.461 690 L N 6.726 127.987 121.223 0.062 0.000 2.265 690 L HA 0.790 5.130 4.340 -0.000 0.000 0.289 690 L C 0.374 177.236 176.870 -0.014 0.000 1.033 690 L CA -0.000 54.855 54.840 0.026 0.000 0.814 690 L CB 1.329 43.399 42.059 0.019 0.000 1.203 690 L HN 0.842 nan 8.230 nan 0.000 0.423 691 G N 1.797 110.580 108.800 -0.027 0.000 2.317 691 G HA2 0.412 4.372 3.960 -0.000 0.000 0.293 691 G HA3 0.412 4.372 3.960 -0.000 0.000 0.293 691 G C -0.761 174.138 174.900 -0.002 0.000 1.287 691 G CA -0.088 44.998 45.100 -0.023 0.000 0.850 691 G HN 0.707 nan 8.290 nan 0.000 0.515 692 G N -1.277 107.538 108.800 0.024 0.000 2.945 692 G HA2 0.468 4.428 3.960 -0.000 0.000 0.156 692 G HA3 0.468 4.428 3.960 -0.000 0.000 0.156 692 G C 0.908 175.896 174.900 0.147 0.000 1.375 692 G CA 0.372 45.505 45.100 0.055 0.000 1.039 692 G HN 0.677 nan 8.290 nan 0.000 0.586 693 F N 0.706 120.677 119.950 0.035 0.000 2.126 693 F HA -0.082 4.445 4.527 -0.000 0.000 0.299 693 F C 2.744 178.683 175.800 0.230 0.000 1.096 693 F CA 2.219 60.293 58.000 0.122 0.000 1.255 693 F CB 0.049 39.092 39.000 0.072 0.000 0.997 693 F HN 0.352 nan 8.300 nan 0.000 0.479 694 E N -0.121 120.246 120.200 0.279 0.000 2.160 694 E HA -0.121 4.229 4.350 -0.000 0.000 0.195 694 E C 2.456 179.130 176.600 0.124 0.000 0.991 694 E CA 1.178 57.694 56.400 0.193 0.000 0.810 694 E CB -0.970 28.834 29.700 0.173 0.000 0.742 694 E HN 0.496 nan 8.360 nan 0.000 0.466 695 G N -0.300 108.570 108.800 0.117 0.000 2.402 695 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 695 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 695 G C 1.475 176.429 174.900 0.089 0.000 1.162 695 G CA 0.504 45.663 45.100 0.098 0.000 0.777 695 G HN 0.319 nan 8.290 nan 0.000 0.539 696 F N 1.488 121.373 119.950 -0.108 0.000 2.102 696 F HA -0.000 4.527 4.527 -0.000 0.000 0.298 696 F C 2.676 178.354 175.800 -0.204 0.000 1.105 696 F CA 1.906 59.812 58.000 -0.157 0.000 1.239 696 F CB -0.142 38.716 39.000 -0.236 0.000 0.991 696 F HN 0.075 nan 8.300 nan 0.000 0.474 697 R N -0.148 120.265 120.500 -0.146 0.000 2.073 697 R HA -0.144 4.196 4.340 -0.000 0.000 0.234 697 R C 2.345 178.449 176.300 -0.327 0.000 1.134 697 R CA 1.826 57.761 56.100 -0.274 0.000 0.952 697 R CB -0.616 29.664 30.300 -0.033 0.000 0.850 697 R HN 0.282 nan 8.270 nan 0.000 0.433 698 S N 1.092 116.711 115.700 -0.134 0.000 2.370 698 S HA -0.153 4.317 4.470 -0.000 0.000 0.226 698 S C 1.723 176.207 174.600 -0.193 0.000 1.033 698 S CA 1.185 59.320 58.200 -0.108 0.000 1.011 698 S CB -0.301 63.013 63.200 0.190 0.000 0.852 698 S HN 0.290 nan 8.310 nan 0.000 0.457 699 L N 2.056 123.172 121.223 -0.178 0.000 2.046 699 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 699 L C 2.113 178.789 176.870 -0.323 0.000 1.077 699 L CA 1.878 56.597 54.840 -0.202 0.000 0.747 699 L CB -0.665 41.294 42.059 -0.167 0.000 0.896 699 L HN 0.073 nan 8.230 nan 0.000 0.432 700 K N -0.192 119.913 120.400 -0.492 0.000 2.009 700 K HA -0.206 4.114 4.320 -0.000 0.000 0.210 700 K C 2.066 178.375 176.600 -0.484 0.000 1.049 700 K CA 2.017 57.945 56.287 -0.598 0.000 0.929 700 K CB -0.539 31.311 32.500 -1.083 0.000 0.714 700 K HN 0.546 nan 8.250 nan 0.000 0.440 701 Q N 0.021 119.530 119.800 -0.485 0.000 2.096 701 Q HA -0.204 4.136 4.340 -0.000 0.000 0.208 701 Q C 2.217 178.037 176.000 -0.300 0.000 0.993 701 Q CA 2.121 57.704 55.803 -0.367 0.000 0.862 701 Q CB -0.350 28.185 28.738 -0.338 0.000 0.915 701 Q HN 0.327 nan 8.270 nan 0.000 0.416 702 L N 0.225 121.228 121.223 -0.367 0.000 2.083 702 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 702 L C 2.715 179.472 176.870 -0.188 0.000 1.083 702 L CA 0.729 55.299 54.840 -0.450 0.000 0.752 702 L CB -0.466 41.235 42.059 -0.596 0.000 0.899 702 L HN 0.216 nan 8.230 nan 0.000 0.433 703 R N 0.821 121.214 120.500 -0.177 0.000 2.083 703 R HA -0.185 4.155 4.340 -0.000 0.000 0.237 703 R C 1.701 177.973 176.300 -0.047 0.000 1.137 703 R CA 2.073 58.112 56.100 -0.101 0.000 0.951 703 R CB -0.613 29.598 30.300 -0.147 0.000 0.851 703 R HN 0.355 nan 8.270 nan 0.000 0.434 704 D N -0.614 119.731 120.400 -0.091 0.000 2.097 704 D HA -0.109 4.531 4.640 -0.000 0.000 0.195 704 D C 1.701 178.026 176.300 0.041 0.000 0.989 704 D CA 1.631 55.600 54.000 -0.050 0.000 0.827 704 D CB -0.797 39.941 40.800 -0.104 0.000 0.966 704 D HN 0.486 nan 8.370 nan 0.000 0.456 705 G N 0.446 109.319 108.800 0.121 0.000 2.564 705 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.216 705 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.216 705 G C 1.643 176.738 174.900 0.325 0.000 1.124 705 G CA 0.236 45.531 45.100 0.325 0.000 0.764 705 G HN 0.230 nan 8.290 nan 0.000 0.550 706 R N -0.005 120.630 120.500 0.225 0.000 2.081 706 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 706 R C 3.102 179.421 176.300 0.033 0.000 1.131 706 R CA 1.831 58.016 56.100 0.142 0.000 0.960 706 R CB -0.574 29.786 30.300 0.099 0.000 0.856 706 R HN 0.533 nan 8.270 nan 0.000 0.436 707 T N -0.781 113.778 114.554 0.009 0.000 2.652 707 T HA -0.234 4.116 4.350 -0.000 0.000 0.267 707 T C 1.711 176.347 174.700 -0.106 0.000 1.039 707 T CA 1.431 63.509 62.100 -0.038 0.000 1.153 707 T CB -0.248 68.600 68.868 -0.033 0.000 0.863 707 T HN 0.353 nan 8.240 nan 0.000 0.428 708 Q N 0.309 120.010 119.800 -0.164 0.000 2.425 708 Q HA 0.110 4.450 4.340 -0.000 0.000 0.204 708 Q C -0.017 175.530 176.000 -0.755 0.000 0.933 708 Q CA 0.465 56.021 55.803 -0.413 0.000 0.939 708 Q CB 0.199 28.662 28.738 -0.458 0.000 1.044 708 Q HN 0.718 nan 8.270 nan 0.000 0.513 709 H N -0.784 118.148 119.070 -0.230 0.000 3.108 709 H HA 0.160 4.716 4.556 -0.000 0.000 0.301 709 H C -2.161 172.972 175.328 -0.324 0.000 1.139 709 H CA -1.854 53.946 56.048 -0.414 0.000 1.552 709 H CB 1.776 30.977 29.762 -0.935 0.000 1.663 709 H HN -0.090 nan 8.280 nan 0.000 0.517 710 P HA -0.185 nan 4.420 nan 0.000 0.216 710 P C 1.753 179.043 177.300 -0.016 0.000 1.154 710 P CA 0.795 63.863 63.100 -0.053 0.000 0.865 710 P CB 0.411 32.082 31.700 -0.048 0.000 0.789 711 I N -1.594 118.946 120.570 -0.049 0.000 2.399 711 I HA -0.216 3.954 4.170 -0.000 0.000 0.254 711 I C 1.298 177.576 176.117 0.269 0.000 1.146 711 I CA 1.358 62.700 61.300 0.070 0.000 1.412 711 I CB -0.771 37.278 38.000 0.082 0.000 1.076 711 I HN -0.175 nan 8.210 nan 0.000 0.432 712 F N 0.605 120.627 119.950 0.120 0.000 2.802 712 F HA 0.033 4.560 4.527 -0.000 0.000 0.302 712 F C 1.880 177.715 175.800 0.060 0.000 1.211 712 F CA 0.222 58.289 58.000 0.112 0.000 1.431 712 F CB -1.592 37.439 39.000 0.051 0.000 1.114 712 F HN 0.258 nan 8.300 nan 0.000 0.567 713 N N 0.806 119.630 118.700 0.207 0.000 2.353 713 N HA 0.056 4.796 4.740 -0.000 0.000 0.185 713 N C 0.940 176.493 175.510 0.071 0.000 1.098 713 N CA 0.117 53.228 53.050 0.102 0.000 0.872 713 N CB 0.637 39.163 38.487 0.066 0.000 0.970 713 N HN 0.334 nan 8.380 nan 0.000 0.467 714 I N 0.017 120.652 120.570 0.109 0.000 2.993 714 I HA 0.232 4.402 4.170 -0.000 0.000 0.286 714 I C -2.404 173.730 176.117 0.028 0.000 1.215 714 I CA -1.541 59.802 61.300 0.071 0.000 1.393 714 I CB -0.300 37.746 38.000 0.078 0.000 1.371 714 I HN -0.295 nan 8.210 nan 0.000 0.602 715 P HA 0.267 nan 4.420 nan 0.000 0.268 715 P C -0.965 176.363 177.300 0.047 0.000 1.205 715 P CA 0.130 63.202 63.100 -0.046 0.000 0.771 715 P CB 0.611 32.289 31.700 -0.037 0.000 0.858 716 M N 2.487 122.132 119.600 0.075 0.000 2.271 716 M HA 0.385 4.865 4.480 -0.000 0.000 0.285 716 M C -1.050 175.298 176.300 0.079 0.000 1.059 716 M CA -0.474 54.868 55.300 0.071 0.000 0.940 716 M CB 1.788 34.403 32.600 0.025 0.000 1.636 716 M HN 0.417 nan 8.290 nan 0.000 0.460 717 C N 1.337 120.669 119.300 0.055 0.000 2.802 717 C HA 0.913 5.373 4.460 -0.000 0.000 0.307 717 C C -0.954 174.032 174.990 -0.005 0.000 1.222 717 C CA -1.117 57.883 59.018 -0.030 0.000 1.580 717 C CB 1.308 28.939 27.740 -0.182 0.000 2.119 717 C HN 0.924 nan 8.230 nan 0.000 0.479 718 L N 2.290 123.501 121.223 -0.021 0.000 2.307 718 L HA 0.719 5.059 4.340 -0.000 0.000 0.284 718 L C -0.583 176.267 176.870 -0.034 0.000 1.023 718 L CA -0.726 54.113 54.840 -0.001 0.000 0.810 718 L CB 0.879 42.959 42.059 0.036 0.000 1.231 718 L HN 0.754 nan 8.230 nan 0.000 0.423 719 I N 7.153 127.715 120.570 -0.012 0.000 2.307 719 I HA 0.318 4.488 4.170 -0.000 0.000 0.287 719 I C -2.062 174.054 176.117 -0.001 0.000 1.054 719 I CA -1.879 59.414 61.300 -0.012 0.000 1.218 719 I CB 1.013 39.043 38.000 0.051 0.000 1.398 719 I HN 0.474 nan 8.210 nan 0.000 0.475 720 P HA 0.041 nan 4.420 nan 0.000 0.262 720 P C -0.757 176.506 177.300 -0.061 0.000 1.182 720 P CA 0.127 63.205 63.100 -0.037 0.000 0.761 720 P CB 0.650 32.310 31.700 -0.066 0.000 0.795 721 A N 2.279 125.048 122.820 -0.085 0.000 2.442 721 A HA 0.709 5.029 4.320 -0.000 0.000 0.284 721 A C -0.595 176.909 177.584 -0.134 0.000 1.058 721 A CA -0.335 51.625 52.037 -0.128 0.000 0.738 721 A CB 1.346 20.270 19.000 -0.127 0.000 1.242 721 A HN 0.505 nan 8.150 nan 0.000 0.421 722 T N 0.377 114.824 114.554 -0.178 0.000 3.230 722 T HA 0.294 4.643 4.350 -0.000 0.000 0.390 722 T C 0.676 175.255 174.700 -0.201 0.000 1.761 722 T CA 0.303 62.307 62.100 -0.160 0.000 1.129 722 T CB 0.386 69.183 68.868 -0.117 0.000 1.583 722 T HN 1.774 nan 8.240 nan 0.000 0.480 723 V N 2.159 121.966 119.914 -0.180 0.000 2.626 723 V HA 0.109 4.229 4.120 -0.000 0.000 0.252 723 V C 2.180 178.166 176.094 -0.180 0.000 1.067 723 V CA 2.111 64.298 62.300 -0.188 0.000 1.081 723 V CB -0.947 30.772 31.823 -0.172 0.000 0.686 723 V HN 0.747 nan 8.190 nan 0.000 0.468 724 S N 0.520 116.123 115.700 -0.162 0.000 2.428 724 S HA -0.066 4.404 4.470 -0.000 0.000 0.230 724 S C 1.259 175.768 174.600 -0.152 0.000 1.014 724 S CA 1.105 59.222 58.200 -0.137 0.000 0.957 724 S CB -0.766 62.362 63.200 -0.119 0.000 0.784 724 S HN 0.821 nan 8.310 nan 0.000 0.499 725 N N 1.965 120.532 118.700 -0.221 0.000 2.740 725 N HA -0.157 4.583 4.740 -0.000 0.000 0.248 725 N C -0.399 174.993 175.510 -0.197 0.000 1.062 725 N CA 0.830 53.697 53.050 -0.304 0.000 0.704 725 N CB -1.629 36.533 38.487 -0.541 0.000 0.968 725 N HN 0.623 nan 8.380 nan 0.000 0.547 726 N N -1.538 117.085 118.700 -0.129 0.000 2.275 726 N HA 0.111 4.851 4.740 -0.000 0.000 0.236 726 N C -0.589 174.879 175.510 -0.069 0.000 1.154 726 N CA -0.158 52.843 53.050 -0.082 0.000 0.866 726 N CB 0.197 38.634 38.487 -0.084 0.000 1.093 726 N HN 0.064 nan 8.380 nan 0.000 0.515 727 V N 2.386 122.228 119.914 -0.120 0.000 2.348 727 V HA 0.346 4.466 4.120 -0.000 0.000 0.270 727 V C -2.079 173.838 176.094 -0.296 0.000 1.037 727 V CA -1.672 60.493 62.300 -0.226 0.000 0.872 727 V CB 1.192 32.906 31.823 -0.182 0.000 1.002 727 V HN 0.100 nan 8.190 nan 0.000 0.464 728 P HA 0.200 nan 4.420 nan 0.000 0.265 728 P C 1.040 178.264 177.300 -0.127 0.000 1.187 728 P CA 1.273 64.205 63.100 -0.281 0.000 0.766 728 P CB 0.566 32.065 31.700 -0.336 0.000 0.820 729 G N 0.548 109.347 108.800 -0.002 0.000 2.268 729 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.240 729 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.240 729 G C 0.341 175.235 174.900 -0.009 0.000 1.010 729 G CA 0.402 45.522 45.100 0.034 0.000 0.618 729 G HN 0.865 nan 8.290 nan 0.000 0.516 730 T N -0.625 113.906 114.554 -0.039 0.000 2.908 730 T HA 0.621 4.971 4.350 -0.000 0.000 0.290 730 T C 0.655 175.328 174.700 -0.044 0.000 1.034 730 T CA 0.157 62.227 62.100 -0.051 0.000 1.010 730 T CB 1.937 70.765 68.868 -0.067 0.000 1.068 730 T HN 0.142 nan 8.240 nan 0.000 0.481 731 E N 1.397 121.565 120.200 -0.053 0.000 2.474 731 E HA 0.150 4.500 4.350 -0.000 0.000 0.194 731 E C -1.065 175.540 176.600 0.009 0.000 1.041 731 E CA 0.028 56.372 56.400 -0.093 0.000 0.874 731 E CB 0.472 30.032 29.700 -0.234 0.000 0.914 731 E HN 0.495 nan 8.360 nan 0.000 0.498 732 Y N 0.801 121.040 120.300 -0.102 0.000 2.301 732 Y HA 0.160 4.710 4.550 -0.000 0.000 0.325 732 Y C -0.793 175.072 175.900 -0.057 0.000 1.103 732 Y CA -1.225 56.810 58.100 -0.108 0.000 1.182 732 Y CB 0.825 39.253 38.460 -0.054 0.000 1.139 732 Y HN -0.130 nan 8.280 nan 0.000 0.443 733 S N 5.215 120.511 115.700 -0.674 0.000 2.610 733 S HA 0.625 5.095 4.470 -0.000 0.000 0.273 733 S C -0.274 173.863 174.600 -0.772 0.000 1.274 733 S CA -0.891 57.016 58.200 -0.489 0.000 1.023 733 S CB 1.263 64.258 63.200 -0.342 0.000 0.962 733 S HN 0.689 nan 8.310 nan 0.000 0.523 734 L N 1.781 122.793 121.223 -0.352 0.000 2.467 734 L HA 0.430 4.770 4.340 -0.000 0.000 0.270 734 L C 1.691 178.383 176.870 -0.297 0.000 1.205 734 L CA 0.777 55.461 54.840 -0.260 0.000 0.828 734 L CB -0.049 41.947 42.059 -0.105 0.000 1.101 734 L HN 1.202 nan 8.230 nan 0.000 0.479 735 G N 1.407 110.081 108.800 -0.211 0.000 2.225 735 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.254 735 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.254 735 G C 0.712 175.487 174.900 -0.208 0.000 0.988 735 G CA 0.325 45.315 45.100 -0.185 0.000 0.625 735 G HN 0.425 nan 8.290 nan 0.000 0.527 736 V N 0.925 120.640 119.914 -0.332 0.000 2.295 736 V HA -0.106 4.014 4.120 -0.000 0.000 0.246 736 V C 2.414 178.426 176.094 -0.137 0.000 1.049 736 V CA 3.017 65.143 62.300 -0.291 0.000 1.024 736 V CB -0.460 31.073 31.823 -0.482 0.000 0.648 736 V HN 0.557 nan 8.190 nan 0.000 0.447 737 D N -0.468 119.946 120.400 0.023 0.000 2.123 737 D HA -0.177 4.463 4.640 -0.000 0.000 0.196 737 D C 2.157 178.400 176.300 -0.094 0.000 0.992 737 D CA 1.860 55.835 54.000 -0.042 0.000 0.833 737 D CB -0.071 40.705 40.800 -0.040 0.000 0.954 737 D HN 0.403 nan 8.370 nan 0.000 0.455 738 T N -0.750 113.752 114.554 -0.085 0.000 2.720 738 T HA -0.230 4.120 4.350 -0.000 0.000 0.268 738 T C 2.163 176.802 174.700 -0.102 0.000 1.037 738 T CA 1.280 63.324 62.100 -0.092 0.000 1.144 738 T CB -0.803 68.008 68.868 -0.096 0.000 0.864 738 T HN 0.414 nan 8.240 nan 0.000 0.444 739 C N 1.348 120.573 119.300 -0.125 0.000 2.442 739 C HA -0.021 4.439 4.460 -0.000 0.000 0.279 739 C C 2.613 177.526 174.990 -0.128 0.000 1.237 739 C CA 0.583 59.521 59.018 -0.133 0.000 1.722 739 C CB -1.533 26.113 27.740 -0.157 0.000 2.056 739 C HN 0.579 nan 8.230 nan 0.000 0.469 740 L N 1.372 122.496 121.223 -0.164 0.000 2.051 740 L HA -0.215 4.125 4.340 -0.000 0.000 0.214 740 L C 2.606 179.430 176.870 -0.078 0.000 1.076 740 L CA 2.100 56.837 54.840 -0.171 0.000 0.758 740 L CB -0.866 40.991 42.059 -0.336 0.000 0.890 740 L HN 0.541 nan 8.230 nan 0.000 0.433 741 N N -0.206 118.455 118.700 -0.065 0.000 2.142 741 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 741 N C 1.891 177.394 175.510 -0.012 0.000 1.023 741 N CA 1.461 54.498 53.050 -0.022 0.000 0.852 741 N CB -0.174 38.298 38.487 -0.026 0.000 0.998 741 N HN 0.323 nan 8.380 nan 0.000 0.424 742 A N 1.544 124.346 122.820 -0.031 0.000 1.940 742 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 742 A C 2.371 179.966 177.584 0.017 0.000 1.176 742 A CA 0.993 53.023 52.037 -0.012 0.000 0.631 742 A CB -0.719 18.255 19.000 -0.043 0.000 0.814 742 A HN 0.228 nan 8.150 nan 0.000 0.446 743 L N -0.927 120.284 121.223 -0.019 0.000 2.141 743 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 743 L C 2.531 179.442 176.870 0.068 0.000 1.094 743 L CA 0.746 55.586 54.840 0.001 0.000 0.763 743 L CB -0.430 41.598 42.059 -0.050 0.000 0.908 743 L HN 0.272 nan 8.230 nan 0.000 0.437 744 V N 0.406 120.348 119.914 0.046 0.000 2.237 744 V HA -0.298 3.822 4.120 -0.000 0.000 0.245 744 V C 2.239 178.364 176.094 0.052 0.000 1.046 744 V CA 1.996 64.327 62.300 0.052 0.000 1.007 744 V CB -0.579 31.273 31.823 0.048 0.000 0.638 744 V HN 0.524 nan 8.190 nan 0.000 0.445 745 N N -0.780 117.949 118.700 0.048 0.000 2.094 745 N HA -0.246 4.494 4.740 -0.000 0.000 0.191 745 N C 1.730 177.266 175.510 0.044 0.000 1.023 745 N CA 2.131 55.201 53.050 0.035 0.000 0.857 745 N CB -0.590 37.916 38.487 0.032 0.000 1.013 745 N HN 0.655 nan 8.380 nan 0.000 0.426 746 Y N 2.059 122.333 120.300 -0.044 0.000 2.070 746 Y HA -0.260 4.290 4.550 -0.000 0.000 0.279 746 Y C 2.840 178.692 175.900 -0.080 0.000 1.134 746 Y CA 2.679 60.744 58.100 -0.057 0.000 1.113 746 Y CB -0.787 37.641 38.460 -0.053 0.000 0.981 746 Y HN 0.221 nan 8.280 nan 0.000 0.487 747 T N -2.301 112.353 114.554 0.166 0.000 2.759 747 T HA -0.201 4.149 4.350 -0.000 0.000 0.269 747 T C 1.581 176.234 174.700 -0.078 0.000 1.042 747 T CA 1.600 63.718 62.100 0.030 0.000 1.140 747 T CB -0.658 68.250 68.868 0.067 0.000 0.864 747 T HN 0.289 nan 8.240 nan 0.000 0.455 748 D N 1.814 122.187 120.400 -0.045 0.000 2.133 748 D HA -0.087 4.553 4.640 -0.000 0.000 0.195 748 D C 1.864 178.102 176.300 -0.102 0.000 0.997 748 D CA 1.409 55.375 54.000 -0.055 0.000 0.840 748 D CB -0.471 40.311 40.800 -0.030 0.000 0.947 748 D HN 0.471 nan 8.370 nan 0.000 0.452 749 D N -0.323 119.983 120.400 -0.157 0.000 2.120 749 D HA -0.046 4.594 4.640 -0.000 0.000 0.202 749 D C 2.192 178.332 176.300 -0.268 0.000 0.972 749 D CA 0.481 54.364 54.000 -0.195 0.000 0.837 749 D CB -0.336 40.332 40.800 -0.221 0.000 0.989 749 D HN 0.429 nan 8.370 nan 0.000 0.469 750 I N -1.379 118.939 120.570 -0.421 0.000 2.676 750 I HA -0.053 4.117 4.170 -0.000 0.000 0.259 750 I C 2.014 177.837 176.117 -0.490 0.000 1.194 750 I CA 0.976 61.925 61.300 -0.584 0.000 1.473 750 I CB -0.069 37.366 38.000 -0.942 0.000 1.096 750 I HN -0.164 nan 8.210 nan 0.000 0.443 751 K N 1.238 121.469 120.400 -0.283 0.000 2.057 751 K HA -0.265 4.055 4.320 -0.000 0.000 0.207 751 K C 2.376 178.945 176.600 -0.051 0.000 1.049 751 K CA 1.982 58.195 56.287 -0.124 0.000 0.931 751 K CB -0.206 32.256 32.500 -0.063 0.000 0.714 751 K HN 0.570 nan 8.250 nan 0.000 0.440 752 Q N -0.065 119.694 119.800 -0.068 0.000 2.226 752 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 752 Q C 1.870 177.872 176.000 0.003 0.000 0.975 752 Q CA 1.571 57.359 55.803 -0.025 0.000 0.866 752 Q CB -0.028 28.687 28.738 -0.039 0.000 0.915 752 Q HN 0.203 nan 8.270 nan 0.000 0.440 753 S N -0.777 114.913 115.700 -0.017 0.000 2.406 753 S HA -0.000 4.470 4.470 -0.000 0.000 0.228 753 S C 1.809 176.520 174.600 0.185 0.000 1.020 753 S CA 0.865 59.102 58.200 0.061 0.000 0.965 753 S CB -0.141 63.085 63.200 0.044 0.000 0.798 753 S HN 0.555 nan 8.310 nan 0.000 0.488 754 A N 0.529 123.508 122.820 0.265 0.000 1.929 754 A HA 0.081 4.401 4.320 -0.000 0.000 0.216 754 A C 2.354 180.057 177.584 0.198 0.000 1.176 754 A CA 1.645 53.891 52.037 0.349 0.000 0.628 754 A CB -0.925 18.363 19.000 0.480 0.000 0.816 754 A HN 0.523 nan 8.150 nan 0.000 0.444 755 S N 0.028 115.813 115.700 0.141 0.000 2.382 755 S HA -0.032 4.438 4.470 -0.000 0.000 0.228 755 S C 2.286 176.940 174.600 0.090 0.000 1.027 755 S CA 1.097 59.361 58.200 0.108 0.000 0.991 755 S CB -0.397 62.847 63.200 0.074 0.000 0.823 755 S HN 0.767 nan 8.310 nan 0.000 0.469 756 A N 1.638 124.507 122.820 0.080 0.000 1.858 756 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 756 A C 2.344 179.967 177.584 0.065 0.000 1.190 756 A CA 2.133 54.208 52.037 0.063 0.000 0.617 756 A CB -1.342 17.689 19.000 0.053 0.000 0.827 756 A HN 0.611 nan 8.150 nan 0.000 0.443 757 T N -3.605 110.996 114.554 0.078 0.000 3.148 757 T HA 0.350 4.700 4.350 -0.000 0.000 0.253 757 T C 0.636 175.374 174.700 0.063 0.000 1.134 757 T CA 0.406 62.543 62.100 0.062 0.000 1.051 757 T CB -0.231 68.671 68.868 0.057 0.000 0.959 757 T HN 0.485 nan 8.240 nan 0.000 0.525 758 R N 0.665 121.218 120.500 0.088 0.000 3.229 758 R HA -0.162 4.178 4.340 -0.000 0.000 0.558 758 R C -0.276 176.086 176.300 0.103 0.000 0.879 758 R CA 0.388 56.550 56.100 0.103 0.000 1.671 758 R CB -0.674 29.672 30.300 0.077 0.000 2.047 758 R HN 0.478 nan 8.270 nan 0.000 0.564 759 R N 0.470 121.066 120.500 0.159 0.000 2.747 759 R HA -0.277 4.063 4.340 -0.000 0.000 0.236 759 R C -0.314 175.928 176.300 -0.096 0.000 0.819 759 R CA 1.744 57.868 56.100 0.040 0.000 0.575 759 R CB -0.972 29.258 30.300 -0.117 0.000 1.219 759 R HN 0.483 nan 8.270 nan 0.000 0.518 760 R N 0.079 120.662 120.500 0.139 0.000 2.548 760 R HA 0.408 4.748 4.340 -0.000 0.000 0.280 760 R C -1.277 175.175 176.300 0.253 0.000 1.061 760 R CA -0.754 55.419 56.100 0.121 0.000 0.915 760 R CB 1.776 32.110 30.300 0.056 0.000 1.210 760 R HN 0.022 nan 8.270 nan 0.000 0.442 761 V N 4.482 124.506 119.914 0.185 0.000 2.547 761 V HA 0.550 4.670 4.120 -0.000 0.000 0.299 761 V C -0.736 175.407 176.094 0.081 0.000 1.040 761 V CA -0.520 61.902 62.300 0.204 0.000 0.913 761 V CB 1.499 33.443 31.823 0.201 0.000 0.992 761 V HN 0.596 nan 8.190 nan 0.000 0.449 762 F N 2.382 122.406 119.950 0.124 0.000 2.458 762 F HA 0.565 5.092 4.527 -0.000 0.000 0.336 762 F C 0.047 175.917 175.800 0.116 0.000 1.114 762 F CA -0.650 57.417 58.000 0.111 0.000 0.987 762 F CB 2.084 41.143 39.000 0.099 0.000 1.130 762 F HN 0.178 nan 8.300 nan 0.000 0.458 763 V N 3.820 123.903 119.914 0.281 0.000 2.334 763 V HA 0.168 4.288 4.120 -0.000 0.000 0.267 763 V C -0.347 175.885 176.094 0.230 0.000 1.040 763 V CA -0.710 61.725 62.300 0.225 0.000 0.866 763 V CB 1.025 32.944 31.823 0.159 0.000 1.019 763 V HN 0.855 nan 8.190 nan 0.000 0.468 764 C N 5.738 125.162 119.300 0.207 0.000 2.281 764 C HA 0.467 4.927 4.460 -0.000 0.000 0.325 764 C C 0.271 175.320 174.990 0.097 0.000 1.282 764 C CA -0.547 58.569 59.018 0.162 0.000 1.640 764 C CB 0.085 27.918 27.740 0.155 0.000 2.288 764 C HN 0.978 nan 8.230 nan 0.000 0.507 765 E N 4.707 124.941 120.200 0.057 0.000 2.115 765 E HA 0.479 4.829 4.350 -0.000 0.000 0.282 765 E C -1.020 175.553 176.600 -0.046 0.000 0.987 765 E CA -0.219 56.192 56.400 0.017 0.000 0.797 765 E CB 1.230 30.939 29.700 0.014 0.000 1.086 765 E HN 0.635 nan 8.360 nan 0.000 0.397 766 V N 4.261 124.147 119.914 -0.047 0.000 2.713 766 V HA 0.167 4.287 4.120 -0.000 0.000 0.307 766 V C 0.517 176.549 176.094 -0.102 0.000 1.052 766 V CA -0.513 61.732 62.300 -0.091 0.000 0.967 766 V CB 1.875 33.654 31.823 -0.073 0.000 1.019 766 V HN 0.811 nan 8.190 nan 0.000 0.459 767 Q N 1.381 121.100 119.800 -0.136 0.000 2.286 767 Q HA 0.474 4.814 4.340 -0.000 0.000 0.169 767 Q C 1.107 177.029 176.000 -0.132 0.000 1.082 767 Q CA 0.434 56.148 55.803 -0.147 0.000 1.101 767 Q CB 0.301 28.927 28.738 -0.187 0.000 1.877 767 Q HN 1.131 nan 8.270 nan 0.000 0.561 768 G N -1.526 107.190 108.800 -0.140 0.000 2.168 768 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.197 768 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.197 768 G C 0.581 175.407 174.900 -0.124 0.000 0.997 768 G CA -0.016 45.014 45.100 -0.118 0.000 0.658 768 G HN 1.100 nan 8.290 nan 0.000 0.513 769 G N 0.500 109.196 108.800 -0.173 0.000 2.660 769 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.321 769 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.321 769 G C 0.419 175.124 174.900 -0.324 0.000 1.246 769 G CA 0.845 45.783 45.100 -0.269 0.000 1.000 769 G HN 1.151 nan 8.290 nan 0.000 0.550 770 H N 0.953 119.973 119.070 -0.083 0.000 2.577 770 H HA 0.543 5.099 4.556 -0.000 0.000 0.306 770 H C 0.338 175.653 175.328 -0.022 0.000 1.109 770 H CA 0.825 56.836 56.048 -0.061 0.000 1.063 770 H CB 0.112 29.809 29.762 -0.109 0.000 1.535 770 H HN 0.364 nan 8.280 nan 0.000 0.532 771 S N -0.156 115.585 115.700 0.070 0.000 2.789 771 S HA 0.336 4.806 4.470 -0.000 0.000 0.286 771 S C 1.202 175.886 174.600 0.139 0.000 1.153 771 S CA -0.527 57.764 58.200 0.151 0.000 1.084 771 S CB 0.585 63.842 63.200 0.096 0.000 1.036 771 S HN 0.482 nan 8.310 nan 0.000 0.484 772 G N 2.887 111.868 108.800 0.301 0.000 2.882 772 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.206 772 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.206 772 G C 0.799 175.410 174.900 -0.481 0.000 1.155 772 G CA 0.261 45.435 45.100 0.123 0.000 0.800 772 G HN 0.826 nan 8.290 nan 0.000 0.524 773 Y N 1.060 120.687 120.300 -1.122 0.000 2.069 773 Y HA -0.269 4.281 4.550 -0.000 0.000 0.278 773 Y C 2.408 177.811 175.900 -0.827 0.000 1.175 773 Y CA 1.588 58.593 58.100 -1.826 0.000 1.134 773 Y CB -0.050 37.771 38.460 -1.064 0.000 0.965 773 Y HN 0.170 nan 8.280 nan 0.000 0.498 774 I N 0.568 120.901 120.570 -0.395 0.000 2.179 774 I HA -0.318 3.852 4.170 -0.000 0.000 0.242 774 I C 2.734 178.679 176.117 -0.285 0.000 1.088 774 I CA 1.572 62.669 61.300 -0.337 0.000 1.357 774 I CB -1.976 35.927 38.000 -0.163 0.000 1.051 774 I HN 0.456 nan 8.210 nan 0.000 0.409 775 A N 0.345 123.037 122.820 -0.213 0.000 1.873 775 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 775 A C 2.600 180.125 177.584 -0.098 0.000 1.193 775 A CA 2.475 54.448 52.037 -0.106 0.000 0.629 775 A CB -0.933 18.049 19.000 -0.031 0.000 0.826 775 A HN 0.438 nan 8.150 nan 0.000 0.447 776 S N -1.314 114.285 115.700 -0.169 0.000 2.351 776 S HA -0.165 4.305 4.470 -0.000 0.000 0.220 776 S C 1.706 176.323 174.600 0.029 0.000 1.035 776 S CA 1.516 59.698 58.200 -0.031 0.000 1.031 776 S CB -0.627 62.603 63.200 0.049 0.000 0.928 776 S HN 0.572 nan 8.310 nan 0.000 0.433 777 F N 2.090 121.864 119.950 -0.292 0.000 2.120 777 F HA -0.235 4.292 4.527 -0.000 0.000 0.300 777 F C 2.617 178.331 175.800 -0.143 0.000 1.095 777 F CA 1.706 59.576 58.000 -0.217 0.000 1.249 777 F CB -0.588 38.081 39.000 -0.553 0.000 0.995 777 F HN 0.151 nan 8.300 nan 0.000 0.480 778 T N -0.411 114.233 114.554 0.149 0.000 2.708 778 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 778 T C 2.084 176.812 174.700 0.048 0.000 1.037 778 T CA 1.441 63.599 62.100 0.096 0.000 1.146 778 T CB -1.156 67.721 68.868 0.015 0.000 0.865 778 T HN 0.491 nan 8.240 nan 0.000 0.435 779 G N 1.949 110.761 108.800 0.021 0.000 2.469 779 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.219 779 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.219 779 G C 1.504 176.395 174.900 -0.014 0.000 1.150 779 G CA 0.502 45.604 45.100 0.003 0.000 0.763 779 G HN 0.364 nan 8.290 nan 0.000 0.561 780 L N 1.576 122.784 121.223 -0.025 0.000 1.994 780 L HA 0.047 4.387 4.340 -0.000 0.000 0.208 780 L C 2.601 179.412 176.870 -0.099 0.000 1.071 780 L CA 1.797 56.587 54.840 -0.083 0.000 0.745 780 L CB -0.722 41.248 42.059 -0.148 0.000 0.892 780 L HN 0.508 nan 8.230 nan 0.000 0.431 781 I N -3.974 116.549 120.570 -0.078 0.000 3.684 781 I HA 0.002 4.172 4.170 -0.000 0.000 0.308 781 I C 1.006 177.122 176.117 -0.001 0.000 1.263 781 I CA 0.294 61.572 61.300 -0.036 0.000 1.174 781 I CB -0.331 37.691 38.000 0.037 0.000 1.021 781 I HN 0.058 nan 8.210 nan 0.000 0.451 782 T N 0.183 114.731 114.554 -0.010 0.000 2.993 782 T HA 0.303 4.653 4.350 -0.000 0.000 0.260 782 T C 1.289 175.981 174.700 -0.013 0.000 0.939 782 T CA 0.571 62.672 62.100 0.001 0.000 0.886 782 T CB 0.455 69.333 68.868 0.017 0.000 1.209 782 T HN 0.625 nan 8.240 nan 0.000 0.518 783 G N 2.213 110.994 108.800 -0.032 0.000 2.153 783 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.252 783 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.252 783 G C 0.302 175.185 174.900 -0.028 0.000 0.994 783 G CA 0.152 45.229 45.100 -0.038 0.000 0.698 783 G HN 0.950 nan 8.290 nan 0.000 0.521 784 A N -0.469 122.338 122.820 -0.022 0.000 2.567 784 A HA 0.474 4.794 4.320 -0.000 0.000 0.240 784 A C 1.689 179.244 177.584 -0.049 0.000 1.053 784 A CA 0.942 52.965 52.037 -0.023 0.000 0.755 784 A CB 0.812 19.801 19.000 -0.017 0.000 0.978 784 A HN 1.633 nan 8.150 nan 0.000 0.507 785 V N 2.064 121.942 119.914 -0.060 0.000 3.217 785 V HA 0.206 4.326 4.120 -0.000 0.000 0.264 785 V C 0.819 176.840 176.094 -0.122 0.000 1.135 785 V CA 1.976 64.224 62.300 -0.087 0.000 1.142 785 V CB -0.271 31.489 31.823 -0.105 0.000 0.754 785 V HN 1.052 nan 8.190 nan 0.000 0.484 786 S N -0.974 114.635 115.700 -0.151 0.000 2.603 786 S HA 0.599 5.069 4.470 -0.000 0.000 0.274 786 S C -1.275 173.104 174.600 -0.367 0.000 1.168 786 S CA -0.455 57.561 58.200 -0.306 0.000 0.963 786 S CB 1.834 64.796 63.200 -0.397 0.000 1.078 786 S HN 0.126 nan 8.310 nan 0.000 0.477 787 V N 6.042 125.731 119.914 -0.376 0.000 2.349 787 V HA 0.425 4.545 4.120 -0.000 0.000 0.284 787 V C -1.414 174.528 176.094 -0.253 0.000 1.014 787 V CA -0.561 61.599 62.300 -0.233 0.000 0.826 787 V CB 0.599 32.377 31.823 -0.076 0.000 1.009 787 V HN 0.869 nan 8.190 nan 0.000 0.431 788 Y N 3.225 123.545 120.300 0.034 0.000 2.477 788 Y HA 0.527 5.077 4.550 -0.000 0.000 0.349 788 Y C 1.099 177.029 175.900 0.051 0.000 0.977 788 Y CA -0.532 57.589 58.100 0.036 0.000 1.214 788 Y CB 1.170 39.645 38.460 0.025 0.000 1.124 788 Y HN 0.690 nan 8.280 nan 0.000 0.521 789 T N -0.253 114.417 114.554 0.193 0.000 2.938 789 T HA 0.415 4.765 4.350 -0.000 0.000 0.285 789 T C -2.310 172.485 174.700 0.158 0.000 1.028 789 T CA -2.611 59.593 62.100 0.174 0.000 1.005 789 T CB 2.165 71.160 68.868 0.212 0.000 1.157 789 T HN 0.153 nan 8.240 nan 0.000 0.550 790 P HA 0.118 nan 4.420 nan 0.000 0.227 790 P C 0.921 178.276 177.300 0.092 0.000 1.161 790 P CA 0.552 63.729 63.100 0.128 0.000 0.788 790 P CB 0.094 31.887 31.700 0.156 0.000 0.822 791 E N -0.303 119.951 120.200 0.090 0.000 2.208 791 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 791 E C 0.900 177.515 176.600 0.024 0.000 0.988 791 E CA 0.906 57.321 56.400 0.025 0.000 0.828 791 E CB -0.416 29.260 29.700 -0.040 0.000 0.763 791 E HN 0.178 nan 8.360 nan 0.000 0.478 792 K N 1.580 122.016 120.400 0.060 0.000 2.265 792 K HA 0.127 4.447 4.320 -0.000 0.000 0.267 792 K C -0.452 176.194 176.600 0.077 0.000 0.994 792 K CA -0.584 55.736 56.287 0.055 0.000 0.860 792 K CB 0.748 33.283 32.500 0.058 0.000 1.099 792 K HN -0.163 nan 8.250 nan 0.000 0.448 793 K N 4.961 125.395 120.400 0.057 0.000 2.524 793 K HA -0.033 4.287 4.320 -0.000 0.000 0.279 793 K C -0.370 176.278 176.600 0.078 0.000 0.993 793 K CA 0.382 56.706 56.287 0.061 0.000 1.030 793 K CB 0.339 32.864 32.500 0.041 0.000 0.891 793 K HN 0.600 nan 8.250 nan 0.000 0.488 794 I N 5.714 126.328 120.570 0.073 0.000 2.578 794 I HA 0.068 4.238 4.170 -0.000 0.000 0.284 794 I C -0.401 175.675 176.117 -0.067 0.000 1.156 794 I CA -0.834 60.480 61.300 0.023 0.000 1.165 794 I CB 0.208 38.202 38.000 -0.010 0.000 1.567 794 I HN 0.685 nan 8.210 nan 0.000 0.546 795 D N 3.118 123.493 120.400 -0.041 0.000 2.440 795 D HA 0.256 4.896 4.640 -0.000 0.000 0.258 795 D C 1.173 177.404 176.300 -0.115 0.000 1.092 795 D CA -0.788 53.187 54.000 -0.042 0.000 1.016 795 D CB 1.201 42.012 40.800 0.019 0.000 1.141 795 D HN 0.091 nan 8.370 nan 0.000 0.552 796 L N -0.025 121.159 121.223 -0.066 0.000 2.129 796 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 796 L C 2.505 179.353 176.870 -0.037 0.000 1.087 796 L CA 1.754 56.557 54.840 -0.063 0.000 0.757 796 L CB -0.708 41.356 42.059 0.009 0.000 0.896 796 L HN 0.583 nan 8.230 nan 0.000 0.434 797 A N 0.589 123.400 122.820 -0.014 0.000 1.859 797 A HA -0.304 4.016 4.320 -0.000 0.000 0.217 797 A C 2.569 180.153 177.584 -0.000 0.000 1.198 797 A CA 2.639 54.676 52.037 -0.001 0.000 0.629 797 A CB -1.012 17.992 19.000 0.006 0.000 0.830 797 A HN 0.541 nan 8.150 nan 0.000 0.446 798 S N 0.256 115.957 115.700 0.002 0.000 2.353 798 S HA -0.202 4.267 4.470 -0.000 0.000 0.222 798 S C 1.925 176.557 174.600 0.053 0.000 1.035 798 S CA 1.655 59.876 58.200 0.035 0.000 1.025 798 S CB -0.999 62.244 63.200 0.072 0.000 0.902 798 S HN 0.473 nan 8.310 nan 0.000 0.440 799 I N 2.020 122.591 120.570 0.002 0.000 2.185 799 I HA -0.280 3.890 4.170 -0.000 0.000 0.246 799 I C 3.111 179.247 176.117 0.031 0.000 1.088 799 I CA 1.912 63.212 61.300 -0.001 0.000 1.347 799 I CB -0.413 37.506 38.000 -0.134 0.000 1.041 799 I HN 0.321 nan 8.210 nan 0.000 0.415 800 R N 0.384 120.891 120.500 0.013 0.000 2.073 800 R HA -0.193 4.147 4.340 -0.000 0.000 0.234 800 R C 2.245 178.563 176.300 0.029 0.000 1.134 800 R CA 1.442 57.557 56.100 0.025 0.000 0.952 800 R CB -0.413 29.897 30.300 0.016 0.000 0.850 800 R HN 0.376 nan 8.270 nan 0.000 0.433 801 E N 0.459 120.671 120.200 0.020 0.000 2.267 801 E HA -0.207 4.143 4.350 -0.000 0.000 0.197 801 E C 0.854 177.458 176.600 0.007 0.000 0.998 801 E CA 1.171 57.576 56.400 0.008 0.000 0.830 801 E CB 0.134 29.834 29.700 -0.001 0.000 0.751 801 E HN 0.297 nan 8.360 nan 0.000 0.491 802 D N 0.042 120.464 120.400 0.036 0.000 2.149 802 D HA -0.061 4.579 4.640 -0.000 0.000 0.206 802 D C 2.051 178.381 176.300 0.051 0.000 0.967 802 D CA 0.545 54.573 54.000 0.046 0.000 0.848 802 D CB -0.139 40.743 40.800 0.137 0.000 0.998 802 D HN 0.251 nan 8.370 nan 0.000 0.474 803 I N 1.176 121.793 120.570 0.078 0.000 2.163 803 I HA -0.282 3.888 4.170 -0.000 0.000 0.243 803 I C 2.303 178.467 176.117 0.079 0.000 1.085 803 I CA 1.061 62.427 61.300 0.111 0.000 1.347 803 I CB -0.422 37.651 38.000 0.121 0.000 1.044 803 I HN 0.003 nan 8.210 nan 0.000 0.408 804 T N 1.730 116.312 114.554 0.047 0.000 2.516 804 T HA -0.222 4.128 4.350 -0.000 0.000 0.261 804 T C 1.944 176.633 174.700 -0.019 0.000 1.130 804 T CA 1.682 63.795 62.100 0.022 0.000 1.193 804 T CB -0.582 68.290 68.868 0.007 0.000 0.864 804 T HN 0.219 nan 8.240 nan 0.000 0.410 805 L N 0.505 121.699 121.223 -0.048 0.000 2.054 805 L HA -0.214 4.126 4.340 -0.000 0.000 0.220 805 L C 2.579 179.360 176.870 -0.149 0.000 1.081 805 L CA 1.602 56.380 54.840 -0.104 0.000 0.780 805 L CB -1.139 40.855 42.059 -0.107 0.000 0.893 805 L HN 0.300 nan 8.230 nan 0.000 0.438 806 L N -0.270 120.878 121.223 -0.125 0.000 1.910 806 L HA -0.260 4.080 4.340 -0.000 0.000 0.221 806 L C 2.700 179.490 176.870 -0.133 0.000 1.084 806 L CA 1.527 56.244 54.840 -0.205 0.000 0.779 806 L CB -0.618 41.317 42.059 -0.207 0.000 0.888 806 L HN 0.193 nan 8.230 nan 0.000 0.432 807 K N -0.348 120.063 120.400 0.018 0.000 2.044 807 K HA -0.344 3.976 4.320 -0.000 0.000 0.224 807 K C 1.965 178.620 176.600 0.091 0.000 1.056 807 K CA 2.368 58.770 56.287 0.191 0.000 0.962 807 K CB -0.352 32.279 32.500 0.218 0.000 0.730 807 K HN 0.194 nan 8.250 nan 0.000 0.453 808 E N 1.266 121.467 120.200 0.002 0.000 2.026 808 E HA -0.271 4.079 4.350 -0.000 0.000 0.206 808 E C 1.703 178.166 176.600 -0.229 0.000 1.028 808 E CA 1.781 58.147 56.400 -0.058 0.000 0.845 808 E CB -0.674 28.978 29.700 -0.081 0.000 0.772 808 E HN 0.279 nan 8.360 nan 0.000 0.462 809 N N -0.122 118.363 118.700 -0.359 0.000 2.089 809 N HA -0.249 4.491 4.740 -0.000 0.000 0.198 809 N C 1.973 177.165 175.510 -0.531 0.000 1.017 809 N CA 1.914 54.620 53.050 -0.572 0.000 0.880 809 N CB -0.682 37.481 38.487 -0.540 0.000 1.042 809 N HN 0.271 nan 8.380 nan 0.000 0.446 810 F N 0.989 120.805 119.950 -0.223 0.000 2.293 810 F HA 0.076 4.603 4.527 -0.000 0.000 0.300 810 F C 2.658 178.462 175.800 0.006 0.000 1.086 810 F CA 0.420 58.358 58.000 -0.104 0.000 1.375 810 F CB -0.040 38.911 39.000 -0.081 0.000 1.045 810 F HN -0.005 nan 8.300 nan 0.000 0.516 811 R N -0.334 120.279 120.500 0.189 0.000 2.139 811 R HA -0.188 4.152 4.340 -0.000 0.000 0.243 811 R C 1.729 178.221 176.300 0.320 0.000 1.145 811 R CA 1.781 58.035 56.100 0.256 0.000 0.976 811 R CB -0.730 29.730 30.300 0.267 0.000 0.866 811 R HN 0.534 nan 8.270 nan 0.000 0.449 812 H N -0.104 118.992 119.070 0.043 0.000 2.320 812 H HA -0.081 4.475 4.556 -0.000 0.000 0.312 812 H C 1.341 176.698 175.328 0.049 0.000 1.051 812 H CA 0.387 56.449 56.048 0.024 0.000 1.339 812 H CB -0.236 29.517 29.762 -0.015 0.000 1.437 812 H HN 0.279 nan 8.280 nan 0.000 0.538 813 D N 1.062 121.572 120.400 0.183 0.000 4.304 813 D HA -0.479 4.161 4.640 -0.000 0.000 0.242 813 D C 1.363 177.733 176.300 0.117 0.000 0.625 813 D CA 2.405 56.485 54.000 0.133 0.000 0.997 813 D CB -0.826 40.098 40.800 0.207 0.000 0.459 813 D HN 0.416 nan 8.370 nan 0.000 0.378 814 K N -0.044 120.424 120.400 0.114 0.000 10.341 814 K HA -0.268 4.052 4.320 -0.000 0.000 0.518 814 K C 1.754 178.397 176.600 0.072 0.000 0.380 814 K CA 4.934 61.271 56.287 0.083 0.000 1.946 814 K CB -2.100 30.440 32.500 0.068 0.000 0.755 814 K HN 0.909 nan 8.250 nan 0.000 1.155 815 G N 0.386 109.228 108.800 0.069 0.000 2.507 815 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.221 815 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.221 815 G C 0.637 175.576 174.900 0.065 0.000 1.119 815 G CA 1.994 47.131 45.100 0.061 0.000 0.751 815 G HN 0.812 nan 8.290 nan 0.000 0.574 816 E N -1.120 119.127 120.200 0.079 0.000 3.439 816 E HA -0.482 3.868 4.350 -0.000 0.000 0.385 816 E C 1.329 177.972 176.600 0.073 0.000 1.557 816 E CA 1.177 57.628 56.400 0.084 0.000 1.684 816 E CB -1.030 28.715 29.700 0.075 0.000 1.677 816 E HN 0.409 nan 8.360 nan 0.000 0.455 817 N N 0.968 119.706 118.700 0.063 0.000 2.906 817 N HA -0.326 4.414 4.740 -0.000 0.000 0.167 817 N C 0.053 175.597 175.510 0.058 0.000 0.187 817 N CA 2.964 56.047 53.050 0.054 0.000 2.060 817 N CB -0.588 37.927 38.487 0.047 0.000 1.161 817 N HN 0.390 nan 8.380 nan 0.000 0.425 818 R N 0.345 120.881 120.500 0.061 0.000 3.057 818 R HA 0.405 4.745 4.340 -0.000 0.000 0.291 818 R C -0.165 176.174 176.300 0.065 0.000 1.394 818 R CA -0.013 56.123 56.100 0.061 0.000 1.630 818 R CB -0.119 30.219 30.300 0.063 0.000 1.268 818 R HN 0.394 nan 8.270 nan 0.000 0.621 819 N N 0.179 118.925 118.700 0.076 0.000 2.241 819 N HA 0.057 4.797 4.740 -0.000 0.000 0.238 819 N C -0.140 175.424 175.510 0.090 0.000 1.244 819 N CA -0.168 52.925 53.050 0.072 0.000 0.880 819 N CB 0.976 39.516 38.487 0.087 0.000 1.179 819 N HN 0.427 nan 8.380 nan 0.000 0.513 820 G N 1.226 110.092 108.800 0.111 0.000 2.378 820 G HA2 0.185 4.145 3.960 -0.000 0.000 0.255 820 G HA3 0.185 4.145 3.960 -0.000 0.000 0.255 820 G C -0.345 174.624 174.900 0.115 0.000 1.270 820 G CA 0.136 45.332 45.100 0.159 0.000 0.876 820 G HN 0.146 nan 8.290 nan 0.000 0.521 821 K N 0.374 120.854 120.400 0.132 0.000 2.156 821 K HA 0.678 4.998 4.320 -0.000 0.000 0.250 821 K C -0.445 176.239 176.600 0.139 0.000 0.955 821 K CA -0.670 55.651 56.287 0.056 0.000 0.855 821 K CB 1.987 34.424 32.500 -0.106 0.000 1.101 821 K HN 0.442 nan 8.250 nan 0.000 0.434 822 L N -0.813 120.468 121.223 0.096 0.000 2.424 822 L HA 0.642 4.982 4.340 -0.000 0.000 0.258 822 L C -1.790 175.137 176.870 0.094 0.000 0.995 822 L CA -1.009 53.916 54.840 0.142 0.000 0.821 822 L CB 0.837 42.989 42.059 0.154 0.000 1.383 822 L HN 0.282 nan 8.230 nan 0.000 0.410 823 L N 2.200 123.504 121.223 0.136 0.000 2.317 823 L HA 0.760 5.100 4.340 -0.000 0.000 0.281 823 L C -0.352 176.599 176.870 0.135 0.000 1.024 823 L CA -0.467 54.446 54.840 0.122 0.000 0.810 823 L CB 2.011 44.209 42.059 0.231 0.000 1.240 823 L HN 0.497 nan 8.230 nan 0.000 0.427 824 V N 3.741 123.705 119.914 0.082 0.000 2.334 824 V HA 0.531 4.651 4.120 -0.000 0.000 0.281 824 V C -0.026 176.154 176.094 0.143 0.000 1.016 824 V CA -0.696 61.657 62.300 0.089 0.000 0.832 824 V CB 1.327 33.172 31.823 0.036 0.000 0.999 824 V HN 0.740 nan 8.190 nan 0.000 0.439 825 R N 4.717 125.327 120.500 0.184 0.000 2.494 825 R HA 0.384 4.724 4.340 -0.000 0.000 0.305 825 R C -0.280 176.084 176.300 0.107 0.000 0.959 825 R CA -0.600 55.633 56.100 0.223 0.000 0.864 825 R CB 1.209 31.640 30.300 0.218 0.000 1.159 825 R HN 0.741 nan 8.270 nan 0.000 0.446 826 N N 2.860 121.621 118.700 0.101 0.000 2.513 826 N HA -0.084 4.656 4.740 -0.000 0.000 0.268 826 N C 0.520 176.036 175.510 0.010 0.000 1.180 826 N CA 0.423 53.497 53.050 0.040 0.000 0.948 826 N CB 1.373 39.893 38.487 0.055 0.000 1.083 826 N HN 0.863 nan 8.380 nan 0.000 0.455 827 E N 1.430 121.607 120.200 -0.038 0.000 2.200 827 E HA -0.263 4.087 4.350 -0.000 0.000 0.211 827 E C 0.318 176.875 176.600 -0.071 0.000 1.048 827 E CA 1.728 58.087 56.400 -0.067 0.000 0.851 827 E CB 0.275 29.906 29.700 -0.114 0.000 0.747 827 E HN 0.604 nan 8.360 nan 0.000 0.462 828 Q N -1.816 117.931 119.800 -0.087 0.000 2.194 828 Q HA 0.228 4.568 4.340 -0.000 0.000 0.214 828 Q C 1.465 177.492 176.000 0.045 0.000 0.838 828 Q CA 0.528 56.293 55.803 -0.064 0.000 0.972 828 Q CB 1.075 29.658 28.738 -0.259 0.000 1.131 828 Q HN 0.284 nan 8.270 nan 0.000 0.498 829 A N 1.559 124.411 122.820 0.054 0.000 1.923 829 A HA -0.182 4.138 4.320 -0.000 0.000 0.222 829 A C 1.297 178.940 177.584 0.098 0.000 1.258 829 A CA 2.190 54.284 52.037 0.095 0.000 0.670 829 A CB -0.186 18.878 19.000 0.107 0.000 0.834 829 A HN 0.260 nan 8.150 nan 0.000 0.470 830 S N -2.945 112.805 115.700 0.084 0.000 2.689 830 S HA 0.406 4.876 4.470 -0.000 0.000 0.274 830 S C 0.739 175.377 174.600 0.064 0.000 1.176 830 S CA 0.368 58.630 58.200 0.104 0.000 1.014 830 S CB 1.198 64.513 63.200 0.192 0.000 1.071 830 S HN 0.994 nan 8.310 nan 0.000 0.478 831 S N 3.997 119.721 115.700 0.041 0.000 2.383 831 S HA -0.097 4.373 4.470 -0.000 0.000 0.229 831 S C 1.673 176.242 174.600 -0.052 0.000 1.030 831 S CA 1.565 59.767 58.200 0.003 0.000 1.002 831 S CB -0.579 62.624 63.200 0.005 0.000 0.829 831 S HN 0.577 nan 8.310 nan 0.000 0.467 832 V N 0.306 120.157 119.914 -0.106 0.000 2.273 832 V HA 0.027 4.147 4.120 -0.000 0.000 0.242 832 V C 0.582 176.464 176.094 -0.353 0.000 1.035 832 V CA 0.863 62.988 62.300 -0.291 0.000 1.013 832 V CB -0.594 30.943 31.823 -0.476 0.000 0.652 832 V HN 0.595 nan 8.190 nan 0.000 0.452 833 Y N 1.981 122.255 120.300 -0.044 0.000 2.616 833 Y HA 0.292 4.842 4.550 -0.000 0.000 0.350 833 Y C 1.000 176.856 175.900 -0.072 0.000 1.119 833 Y CA -0.290 57.768 58.100 -0.070 0.000 1.467 833 Y CB -0.133 38.261 38.460 -0.110 0.000 1.287 833 Y HN 0.234 nan 8.280 nan 0.000 0.504 834 S N 0.136 115.859 115.700 0.039 0.000 2.614 834 S HA 0.081 4.551 4.470 -0.000 0.000 0.265 834 S C 1.355 175.970 174.600 0.024 0.000 1.303 834 S CA -0.437 57.775 58.200 0.019 0.000 1.000 834 S CB 1.332 64.532 63.200 -0.000 0.000 0.935 834 S HN 0.642 nan 8.310 nan 0.000 0.551 835 T N 1.274 115.840 114.554 0.020 0.000 2.721 835 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 835 T C 1.832 176.551 174.700 0.033 0.000 1.038 835 T CA 2.277 64.394 62.100 0.028 0.000 1.145 835 T CB -0.516 68.376 68.868 0.040 0.000 0.858 835 T HN 0.734 nan 8.240 nan 0.000 0.459 836 Q N 0.536 120.353 119.800 0.028 0.000 2.020 836 Q HA 0.023 4.363 4.340 -0.000 0.000 0.198 836 Q C 2.162 178.178 176.000 0.025 0.000 0.974 836 Q CA 1.203 57.021 55.803 0.025 0.000 0.829 836 Q CB -0.802 27.946 28.738 0.017 0.000 0.894 836 Q HN 0.457 nan 8.270 nan 0.000 0.433 837 L N -0.123 121.116 121.223 0.027 0.000 2.043 837 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 837 L C 2.044 178.952 176.870 0.063 0.000 1.075 837 L CA 1.640 56.505 54.840 0.042 0.000 0.752 837 L CB -0.868 41.216 42.059 0.041 0.000 0.891 837 L HN 0.415 nan 8.230 nan 0.000 0.432 838 L N -0.087 121.168 121.223 0.054 0.000 2.012 838 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 838 L C 2.586 179.471 176.870 0.025 0.000 1.073 838 L CA 2.174 57.019 54.840 0.008 0.000 0.748 838 L CB -1.265 40.748 42.059 -0.077 0.000 0.891 838 L HN 0.355 nan 8.230 nan 0.000 0.431 839 A N -1.005 121.836 122.820 0.035 0.000 1.933 839 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 839 A C 1.954 179.556 177.584 0.030 0.000 1.175 839 A CA 1.913 53.976 52.037 0.043 0.000 0.628 839 A CB -0.701 18.320 19.000 0.036 0.000 0.814 839 A HN 0.540 nan 8.150 nan 0.000 0.444 840 D N -0.027 120.386 120.400 0.021 0.000 2.123 840 D HA -0.052 4.588 4.640 -0.000 0.000 0.200 840 D C 1.896 178.203 176.300 0.012 0.000 0.976 840 D CA 0.873 54.877 54.000 0.007 0.000 0.831 840 D CB -0.386 40.417 40.800 0.004 0.000 0.974 840 D HN 0.499 nan 8.370 nan 0.000 0.469 841 I N 0.935 121.524 120.570 0.031 0.000 2.208 841 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 841 I C 2.388 178.526 176.117 0.036 0.000 1.097 841 I CA 0.891 62.213 61.300 0.037 0.000 1.363 841 I CB -0.152 37.882 38.000 0.057 0.000 1.051 841 I HN -0.040 nan 8.210 nan 0.000 0.413 842 I N -0.023 120.581 120.570 0.056 0.000 2.202 842 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 842 I C 2.641 178.795 176.117 0.062 0.000 1.091 842 I CA 1.168 62.532 61.300 0.106 0.000 1.368 842 I CB -0.322 37.777 38.000 0.166 0.000 1.058 842 I HN 0.168 nan 8.210 nan 0.000 0.410 843 S N 0.390 116.090 115.700 -0.000 0.000 2.365 843 S HA -0.298 4.172 4.470 -0.000 0.000 0.221 843 S C 1.899 176.404 174.600 -0.159 0.000 1.037 843 S CA 1.638 59.767 58.200 -0.117 0.000 1.060 843 S CB -0.505 62.639 63.200 -0.094 0.000 0.974 843 S HN 0.424 nan 8.310 nan 0.000 0.427 844 E N 0.636 120.784 120.200 -0.086 0.000 2.208 844 E HA -0.239 4.111 4.350 -0.000 0.000 0.202 844 E C 1.976 178.529 176.600 -0.078 0.000 1.014 844 E CA 1.097 57.451 56.400 -0.075 0.000 0.819 844 E CB -0.182 29.496 29.700 -0.036 0.000 0.735 844 E HN 0.539 nan 8.360 nan 0.000 0.469 845 A N 0.220 123.006 122.820 -0.057 0.000 2.030 845 A HA -0.077 4.243 4.320 -0.000 0.000 0.215 845 A C 2.156 179.688 177.584 -0.087 0.000 1.164 845 A CA 1.040 53.061 52.037 -0.026 0.000 0.697 845 A CB -0.260 18.769 19.000 0.049 0.000 0.827 845 A HN 0.342 nan 8.150 nan 0.000 0.457 846 S N 0.077 115.610 115.700 -0.278 0.000 2.383 846 S HA -0.182 4.288 4.470 -0.000 0.000 0.229 846 S C 0.830 175.172 174.600 -0.430 0.000 1.030 846 S CA 1.268 59.030 58.200 -0.730 0.000 1.002 846 S CB -0.569 61.574 63.200 -1.761 0.000 0.829 846 S HN 0.532 nan 8.310 nan 0.000 0.467 847 K N 0.839 121.059 120.400 -0.299 0.000 3.939 847 K HA -0.120 4.200 4.320 -0.000 0.000 0.281 847 K C 0.811 177.282 176.600 -0.215 0.000 0.981 847 K CA 0.099 56.272 56.287 -0.189 0.000 0.833 847 K CB -2.167 30.268 32.500 -0.108 0.000 1.501 847 K HN 0.869 nan 8.250 nan 0.000 0.445 848 G N 0.684 109.329 108.800 -0.258 0.000 2.230 848 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.270 848 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.270 848 G C 1.004 175.763 174.900 -0.236 0.000 0.987 848 G CA 1.346 46.312 45.100 -0.224 0.000 0.664 848 G HN 0.561 nan 8.290 nan 0.000 0.539 849 K N -0.924 119.304 120.400 -0.287 0.000 2.148 849 K HA 0.223 4.543 4.320 -0.000 0.000 0.204 849 K C 0.831 177.326 176.600 -0.176 0.000 1.050 849 K CA 1.358 57.553 56.287 -0.154 0.000 0.942 849 K CB -0.045 32.456 32.500 0.002 0.000 0.724 849 K HN 0.766 nan 8.250 nan 0.000 0.446 850 F N -2.913 116.858 119.950 -0.299 0.000 2.741 850 F HA 0.586 5.113 4.527 -0.000 0.000 0.313 850 F C -0.420 175.201 175.800 -0.298 0.000 1.153 850 F CA -1.544 56.173 58.000 -0.472 0.000 0.931 850 F CB 0.653 39.029 39.000 -1.039 0.000 1.335 850 F HN -0.212 nan 8.300 nan 0.000 0.460 851 G N 0.349 109.118 108.800 -0.053 0.000 2.454 851 G HA2 0.671 4.631 3.960 -0.000 0.000 0.329 851 G HA3 0.671 4.631 3.960 -0.000 0.000 0.329 851 G C -1.947 172.968 174.900 0.026 0.000 1.177 851 G CA -1.188 43.867 45.100 -0.075 0.000 0.951 851 G HN 0.714 nan 8.290 nan 0.000 0.485 852 V N 0.937 120.819 119.914 -0.054 0.000 2.823 852 V HA 0.757 4.877 4.120 -0.000 0.000 0.312 852 V C -0.473 175.501 176.094 -0.200 0.000 1.072 852 V CA -1.005 61.255 62.300 -0.067 0.000 0.937 852 V CB 1.998 33.841 31.823 0.032 0.000 1.013 852 V HN 0.751 nan 8.190 nan 0.000 0.430 853 R N 1.015 121.313 120.500 -0.336 0.000 2.739 853 R HA 0.681 5.021 4.340 -0.000 0.000 0.271 853 R C -0.704 175.531 176.300 -0.108 0.000 1.010 853 R CA -0.591 55.297 56.100 -0.354 0.000 0.897 853 R CB 2.369 32.186 30.300 -0.805 0.000 1.236 853 R HN 0.937 nan 8.270 nan 0.000 0.466 854 T N -1.755 112.840 114.554 0.067 0.000 2.925 854 T HA 0.852 5.202 4.350 -0.000 0.000 0.285 854 T C -0.398 174.488 174.700 0.310 0.000 1.021 854 T CA -0.816 61.392 62.100 0.181 0.000 1.042 854 T CB 2.012 70.945 68.868 0.110 0.000 1.037 854 T HN 0.571 nan 8.240 nan 0.000 0.481 855 A N 2.512 125.516 122.820 0.306 0.000 2.375 855 A HA 0.737 5.056 4.320 -0.000 0.000 0.295 855 A C -0.486 177.204 177.584 0.176 0.000 1.066 855 A CA -0.944 51.283 52.037 0.317 0.000 0.722 855 A CB 0.666 19.900 19.000 0.389 0.000 1.206 855 A HN 0.902 nan 8.150 nan 0.000 0.435 856 I N 4.155 124.801 120.570 0.127 0.000 2.862 856 I HA 0.237 4.407 4.170 -0.000 0.000 0.285 856 I C -1.863 174.197 176.117 -0.096 0.000 1.339 856 I CA -1.536 59.766 61.300 0.004 0.000 1.002 856 I CB 1.488 39.508 38.000 0.033 0.000 1.618 856 I HN 0.430 nan 8.210 nan 0.000 0.593 857 P HA -0.255 nan 4.420 nan 0.000 0.221 857 P C 1.164 178.325 177.300 -0.233 0.000 1.160 857 P CA 2.204 64.892 63.100 -0.687 0.000 0.933 857 P CB 0.135 31.275 31.700 -0.935 0.000 0.793 858 G N -2.103 106.583 108.800 -0.190 0.000 2.498 858 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.251 858 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.251 858 G C 0.504 175.336 174.900 -0.112 0.000 1.170 858 G CA 0.519 45.573 45.100 -0.076 0.000 0.944 858 G HN 0.332 nan 8.290 nan 0.000 0.567 859 H N 0.967 119.987 119.070 -0.084 0.000 2.560 859 H HA 0.126 4.682 4.556 -0.000 0.000 0.283 859 H C 2.646 177.927 175.328 -0.079 0.000 1.028 859 H CA 1.720 57.722 56.048 -0.077 0.000 1.221 859 H CB -0.265 29.462 29.762 -0.058 0.000 1.363 859 H HN 0.797 nan 8.280 nan 0.000 0.594 860 V N -1.866 118.049 119.914 0.001 0.000 2.970 860 V HA -0.173 3.947 4.120 -0.000 0.000 0.260 860 V C 1.612 177.664 176.094 -0.071 0.000 1.100 860 V CA 1.125 63.412 62.300 -0.021 0.000 1.122 860 V CB -0.347 31.476 31.823 -0.000 0.000 0.721 860 V HN 0.343 nan 8.190 nan 0.000 0.483 861 Q N 0.361 120.086 119.800 -0.124 0.000 2.364 861 Q HA -0.155 4.184 4.340 -0.000 0.000 0.207 861 Q C 2.189 178.111 176.000 -0.130 0.000 0.970 861 Q CA 1.456 57.172 55.803 -0.145 0.000 0.888 861 Q CB -0.274 28.353 28.738 -0.186 0.000 0.951 861 Q HN 0.735 nan 8.270 nan 0.000 0.469 862 Q N -0.191 119.539 119.800 -0.116 0.000 2.436 862 Q HA 0.050 4.390 4.340 -0.000 0.000 0.209 862 Q C 0.588 176.531 176.000 -0.095 0.000 0.965 862 Q CA 0.369 56.108 55.803 -0.108 0.000 0.910 862 Q CB 0.280 28.969 28.738 -0.081 0.000 0.980 862 Q HN 0.392 nan 8.270 nan 0.000 0.491 863 G N -1.106 107.646 108.800 -0.079 0.000 2.795 863 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.664 863 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.664 863 G C 0.253 175.114 174.900 -0.066 0.000 1.381 863 G CA -0.520 44.537 45.100 -0.072 0.000 0.853 863 G HN 0.326 nan 8.290 nan 0.000 0.545 864 G N -1.556 107.205 108.800 -0.065 0.000 2.865 864 G HA2 0.512 4.472 3.960 -0.000 0.000 0.204 864 G HA3 0.512 4.472 3.960 -0.000 0.000 0.204 864 G C 0.205 175.053 174.900 -0.088 0.000 1.140 864 G CA 1.054 46.114 45.100 -0.067 0.000 0.842 864 G HN 1.463 nan 8.290 nan 0.000 0.631 865 V N 2.991 122.851 119.914 -0.090 0.000 2.604 865 V HA 0.452 4.572 4.120 -0.000 0.000 0.305 865 V C -2.083 173.951 176.094 -0.100 0.000 1.043 865 V CA -1.713 60.523 62.300 -0.106 0.000 0.888 865 V CB 2.517 34.273 31.823 -0.111 0.000 0.995 865 V HN 0.187 nan 8.190 nan 0.000 0.429 866 P HA 0.136 nan 4.420 nan 0.000 0.271 866 P C -0.224 177.028 177.300 -0.081 0.000 1.218 866 P CA 0.015 63.058 63.100 -0.094 0.000 0.780 866 P CB 0.865 32.508 31.700 -0.096 0.000 0.901 867 S N 0.967 116.621 115.700 -0.076 0.000 2.593 867 S HA 0.051 4.521 4.470 -0.000 0.000 0.269 867 S C 1.679 176.240 174.600 -0.065 0.000 1.334 867 S CA 0.150 58.309 58.200 -0.068 0.000 1.015 867 S CB 0.099 63.253 63.200 -0.077 0.000 0.912 867 S HN 0.565 nan 8.310 nan 0.000 0.541 868 S N 1.448 117.121 115.700 -0.045 0.000 2.387 868 S HA -0.260 4.210 4.470 -0.000 0.000 0.230 868 S C 1.723 176.293 174.600 -0.050 0.000 1.035 868 S CA 1.400 59.582 58.200 -0.031 0.000 1.014 868 S CB -0.725 62.483 63.200 0.013 0.000 0.836 868 S HN 0.847 nan 8.310 nan 0.000 0.466 869 K N 1.122 121.458 120.400 -0.107 0.000 2.026 869 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 869 K C 1.686 178.191 176.600 -0.159 0.000 1.048 869 K CA 1.810 57.982 56.287 -0.190 0.000 0.929 869 K CB -0.375 31.860 32.500 -0.441 0.000 0.713 869 K HN 0.318 nan 8.250 nan 0.000 0.439 870 D N 0.417 120.750 120.400 -0.112 0.000 2.144 870 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 870 D C 2.050 178.294 176.300 -0.092 0.000 0.984 870 D CA 0.985 54.939 54.000 -0.075 0.000 0.834 870 D CB 0.008 40.775 40.800 -0.055 0.000 0.955 870 D HN 0.270 nan 8.370 nan 0.000 0.465 871 R N 0.307 120.761 120.500 -0.076 0.000 2.096 871 R HA -0.070 4.270 4.340 -0.000 0.000 0.235 871 R C 2.350 178.610 176.300 -0.067 0.000 1.127 871 R CA 0.677 56.746 56.100 -0.052 0.000 0.968 871 R CB -0.194 30.095 30.300 -0.018 0.000 0.861 871 R HN 0.119 nan 8.270 nan 0.000 0.440 872 V N 0.252 120.107 119.914 -0.097 0.000 2.379 872 V HA -0.154 3.966 4.120 -0.000 0.000 0.243 872 V C 2.145 178.139 176.094 -0.167 0.000 1.035 872 V CA 1.954 64.184 62.300 -0.117 0.000 1.035 872 V CB -0.467 31.280 31.823 -0.126 0.000 0.673 872 V HN 0.333 nan 8.190 nan 0.000 0.457 873 T N 1.000 115.407 114.554 -0.244 0.000 2.720 873 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 873 T C 2.101 176.535 174.700 -0.443 0.000 1.037 873 T CA 1.754 63.575 62.100 -0.467 0.000 1.144 873 T CB -0.538 67.989 68.868 -0.568 0.000 0.864 873 T HN 0.550 nan 8.240 nan 0.000 0.444 874 A N 1.047 123.726 122.820 -0.236 0.000 1.917 874 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 874 A C 2.594 180.148 177.584 -0.049 0.000 1.182 874 A CA 2.264 54.234 52.037 -0.112 0.000 0.633 874 A CB -1.114 17.847 19.000 -0.066 0.000 0.819 874 A HN 0.453 nan 8.150 nan 0.000 0.448 875 S N -1.106 114.556 115.700 -0.063 0.000 2.368 875 S HA -0.148 4.322 4.470 -0.000 0.000 0.224 875 S C 2.179 176.766 174.600 -0.023 0.000 1.029 875 S CA 1.317 59.495 58.200 -0.036 0.000 0.988 875 S CB -0.287 62.889 63.200 -0.039 0.000 0.838 875 S HN 0.631 nan 8.310 nan 0.000 0.462 876 R N -0.112 120.370 120.500 -0.031 0.000 2.096 876 R HA -0.067 4.273 4.340 -0.000 0.000 0.229 876 R C 2.094 178.526 176.300 0.219 0.000 1.134 876 R CA 1.932 58.069 56.100 0.061 0.000 0.917 876 R CB -0.701 29.636 30.300 0.061 0.000 0.832 876 R HN 0.377 nan 8.270 nan 0.000 0.430 877 F N 0.859 120.784 119.950 -0.041 0.000 2.091 877 F HA -0.192 4.335 4.527 -0.000 0.000 0.299 877 F C 2.610 178.393 175.800 -0.028 0.000 1.103 877 F CA 0.898 58.873 58.000 -0.041 0.000 1.228 877 F CB -1.403 37.568 39.000 -0.048 0.000 0.984 877 F HN 0.137 nan 8.300 nan 0.000 0.477 878 A N 0.244 123.164 122.820 0.167 0.000 1.873 878 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 878 A C 2.517 180.103 177.584 0.003 0.000 1.193 878 A CA 2.415 54.498 52.037 0.077 0.000 0.629 878 A CB -1.276 17.751 19.000 0.046 0.000 0.826 878 A HN 0.178 nan 8.150 nan 0.000 0.447 879 V N 0.231 120.087 119.914 -0.096 0.000 2.295 879 V HA -0.297 3.823 4.120 -0.000 0.000 0.246 879 V C 2.414 178.397 176.094 -0.186 0.000 1.049 879 V CA 2.354 64.445 62.300 -0.348 0.000 1.024 879 V CB -0.799 30.699 31.823 -0.541 0.000 0.648 879 V HN 0.549 nan 8.190 nan 0.000 0.447 880 K N -0.755 119.640 120.400 -0.009 0.000 2.173 880 K HA -0.262 4.058 4.320 -0.000 0.000 0.207 880 K C 2.190 178.938 176.600 0.246 0.000 1.046 880 K CA 1.887 58.254 56.287 0.132 0.000 0.929 880 K CB -0.552 32.053 32.500 0.175 0.000 0.720 880 K HN 0.498 nan 8.250 nan 0.000 0.453 881 C N 0.576 120.004 119.300 0.213 0.000 2.466 881 C HA -0.025 4.434 4.460 -0.000 0.000 0.278 881 C C 2.522 177.619 174.990 0.178 0.000 1.288 881 C CA 0.066 59.224 59.018 0.233 0.000 1.722 881 C CB -0.552 27.287 27.740 0.165 0.000 2.017 881 C HN 0.402 nan 8.230 nan 0.000 0.488 882 I N 1.404 122.034 120.570 0.100 0.000 2.208 882 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 882 I C 2.428 178.641 176.117 0.160 0.000 1.097 882 I CA 1.663 63.031 61.300 0.114 0.000 1.363 882 I CB -1.219 36.887 38.000 0.178 0.000 1.051 882 I HN 0.457 nan 8.210 nan 0.000 0.413 883 K N 0.250 120.743 120.400 0.156 0.000 2.009 883 K HA -0.238 4.082 4.320 -0.000 0.000 0.210 883 K C 2.188 178.867 176.600 0.132 0.000 1.049 883 K CA 1.724 58.120 56.287 0.182 0.000 0.929 883 K CB -0.495 32.092 32.500 0.146 0.000 0.714 883 K HN 0.164 nan 8.250 nan 0.000 0.440 884 F N 1.890 121.788 119.950 -0.088 0.000 2.154 884 F HA -0.240 4.287 4.527 -0.000 0.000 0.301 884 F C 1.819 177.617 175.800 -0.003 0.000 1.087 884 F CA 1.379 59.250 58.000 -0.215 0.000 1.274 884 F CB -0.076 38.485 39.000 -0.731 0.000 1.009 884 F HN -0.026 nan 8.300 nan 0.000 0.485 885 I N 0.167 120.837 120.570 0.168 0.000 2.202 885 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 885 I C 2.319 178.443 176.117 0.012 0.000 1.091 885 I CA 1.591 62.939 61.300 0.079 0.000 1.368 885 I CB -0.659 37.392 38.000 0.086 0.000 1.058 885 I HN 0.195 nan 8.210 nan 0.000 0.410 886 E N 0.715 120.936 120.200 0.035 0.000 2.033 886 E HA -0.308 4.042 4.350 -0.000 0.000 0.199 886 E C 2.194 178.788 176.600 -0.011 0.000 1.011 886 E CA 1.617 58.053 56.400 0.060 0.000 0.815 886 E CB -0.198 29.599 29.700 0.163 0.000 0.755 886 E HN 0.524 nan 8.360 nan 0.000 0.451 887 Q N -0.208 119.542 119.800 -0.083 0.000 2.029 887 Q HA -0.236 4.104 4.340 -0.000 0.000 0.209 887 Q C 2.089 177.895 176.000 -0.323 0.000 0.999 887 Q CA 2.065 57.733 55.803 -0.224 0.000 0.857 887 Q CB -0.464 28.083 28.738 -0.318 0.000 0.926 887 Q HN 0.416 nan 8.270 nan 0.000 0.415 888 W N 0.963 122.061 121.300 -0.335 0.000 2.342 888 W HA -0.173 4.487 4.660 -0.000 0.000 0.297 888 W C 2.148 178.569 176.519 -0.163 0.000 1.213 888 W CA 1.178 58.344 57.345 -0.297 0.000 1.251 888 W CB -0.426 28.769 29.460 -0.442 0.000 1.136 888 W HN 0.258 nan 8.180 nan 0.000 0.526 889 N N 0.471 119.219 118.700 0.080 0.000 2.166 889 N HA -0.208 4.531 4.740 -0.000 0.000 0.186 889 N C 1.662 177.190 175.510 0.029 0.000 1.019 889 N CA 1.644 54.733 53.050 0.065 0.000 0.856 889 N CB -0.217 38.304 38.487 0.056 0.000 0.993 889 N HN 0.056 nan 8.380 nan 0.000 0.426 890 K N 0.101 120.492 120.400 -0.015 0.000 2.186 890 K HA -0.028 4.292 4.320 -0.000 0.000 0.202 890 K C 1.400 177.962 176.600 -0.063 0.000 1.052 890 K CA 0.713 56.981 56.287 -0.033 0.000 0.965 890 K CB 0.051 32.524 32.500 -0.045 0.000 0.746 890 K HN -0.098 nan 8.250 nan 0.000 0.457 891 K N 1.204 121.528 120.400 -0.127 0.000 2.616 891 K HA -0.009 4.311 4.320 -0.000 0.000 0.192 891 K C -0.825 175.745 176.600 -0.050 0.000 1.031 891 K CA 0.424 56.608 56.287 -0.173 0.000 1.004 891 K CB 0.004 32.238 32.500 -0.442 0.000 0.810 891 K HN 0.096 nan 8.250 nan 0.000 0.497 892 N N 1.733 120.440 118.700 0.011 0.000 2.617 892 N HA 0.157 4.897 4.740 -0.000 0.000 0.263 892 N C -1.163 174.364 175.510 0.028 0.000 1.074 892 N CA -0.405 52.674 53.050 0.049 0.000 0.841 892 N CB 1.366 39.912 38.487 0.098 0.000 1.221 892 N HN 0.055 nan 8.380 nan 0.000 0.529 921 D N 0.721 121.090 120.400 -0.052 0.000 2.347 921 D HA -0.051 4.589 4.640 -0.000 0.000 0.213 921 D C 0.580 176.796 176.300 -0.139 0.000 0.985 921 D CA 0.360 54.305 54.000 -0.093 0.000 0.879 921 D CB 0.201 40.978 40.800 -0.037 0.000 0.919 921 D HN 0.119 nan 8.370 nan 0.000 0.526 922 D N 0.218 120.556 120.400 -0.103 0.000 2.389 922 D HA -0.113 4.527 4.640 -0.000 0.000 0.221 922 D C 1.872 177.907 176.300 -0.443 0.000 0.974 922 D CA 0.617 54.599 54.000 -0.031 0.000 0.923 922 D CB -0.148 40.820 40.800 0.280 0.000 0.892 922 D HN 0.176 nan 8.370 nan 0.000 0.518 923 S N -0.970 114.117 115.700 -1.022 0.000 2.593 923 S HA 0.269 4.739 4.470 -0.000 0.000 0.217 923 S C 1.057 175.396 174.600 -0.435 0.000 0.966 923 S CA -0.179 57.114 58.200 -1.512 0.000 0.914 923 S CB 0.412 62.729 63.200 -1.473 0.000 0.776 923 S HN 0.148 nan 8.310 nan 0.000 0.523 924 A N 1.067 123.760 122.820 -0.211 0.000 2.802 924 A HA 0.856 5.175 4.320 -0.000 0.000 0.344 924 A C 0.151 177.723 177.584 -0.020 0.000 1.215 924 A CA -0.359 51.633 52.037 -0.076 0.000 0.821 924 A CB 0.048 18.986 19.000 -0.104 0.000 1.099 924 A HN 0.652 nan 8.150 nan 0.000 0.479 925 A N 0.836 123.674 122.820 0.030 0.000 2.347 925 A HA 0.876 5.196 4.320 -0.000 0.000 0.301 925 A C -0.726 176.846 177.584 -0.020 0.000 1.163 925 A CA -0.577 51.480 52.037 0.032 0.000 0.860 925 A CB 1.234 20.324 19.000 0.149 0.000 1.367 925 A HN 0.870 nan 8.150 nan 0.000 0.461 926 V N 1.052 120.957 119.914 -0.015 0.000 2.448 926 V HA 0.348 4.468 4.120 -0.000 0.000 0.295 926 V C -0.099 175.812 176.094 -0.305 0.000 1.025 926 V CA -0.342 61.911 62.300 -0.078 0.000 0.859 926 V CB 1.445 33.293 31.823 0.041 0.000 0.988 926 V HN 0.761 nan 8.190 nan 0.000 0.431 927 I N 4.637 124.884 120.570 -0.538 0.000 2.452 927 I HA 0.311 4.481 4.170 -0.000 0.000 0.287 927 I C -0.361 175.351 176.117 -0.675 0.000 1.079 927 I CA 0.422 61.097 61.300 -1.041 0.000 1.387 927 I CB 0.098 37.416 38.000 -1.136 0.000 1.404 927 I HN 0.698 nan 8.210 nan 0.000 0.522 928 C N 6.211 125.147 119.300 -0.608 0.000 2.779 928 C HA 0.710 5.170 4.460 -0.000 0.000 0.314 928 C C -0.360 174.442 174.990 -0.314 0.000 1.231 928 C CA -0.681 58.127 59.018 -0.351 0.000 1.652 928 C CB 1.623 29.250 27.740 -0.188 0.000 2.198 928 C HN 0.526 nan 8.230 nan 0.000 0.483 929 V N 2.733 122.569 119.914 -0.130 0.000 2.531 929 V HA 0.568 4.688 4.120 -0.000 0.000 0.301 929 V C -0.868 175.225 176.094 -0.002 0.000 1.034 929 V CA -0.439 61.848 62.300 -0.022 0.000 0.865 929 V CB 1.564 33.477 31.823 0.150 0.000 0.995 929 V HN 0.875 nan 8.190 nan 0.000 0.424 930 N N 2.868 121.583 118.700 0.025 0.000 2.480 930 N HA 0.382 5.122 4.740 -0.000 0.000 0.289 930 N C 0.585 176.145 175.510 0.083 0.000 1.073 930 N CA -0.026 53.041 53.050 0.028 0.000 0.885 930 N CB 2.131 40.647 38.487 0.048 0.000 1.421 930 N HN 1.175 nan 8.380 nan 0.000 0.503 931 G N 1.546 110.387 108.800 0.068 0.000 2.357 931 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.282 931 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.282 931 G C 0.761 175.744 174.900 0.138 0.000 0.910 931 G CA 1.852 47.019 45.100 0.112 0.000 1.267 931 G HN 1.169 nan 8.290 nan 0.000 0.476 932 S N -1.619 114.162 115.700 0.134 0.000 2.061 932 S HA -0.351 4.119 4.470 -0.000 0.000 0.236 932 S C 0.705 175.408 174.600 0.172 0.000 1.096 932 S CA 2.128 60.418 58.200 0.149 0.000 1.537 932 S CB -1.526 61.767 63.200 0.155 0.000 1.961 932 S HN 2.408 nan 8.310 nan 0.000 0.571 933 H N 1.959 121.071 119.070 0.069 0.000 2.668 933 H HA 0.589 5.145 4.556 -0.000 0.000 0.303 933 H C -0.020 175.325 175.328 0.029 0.000 1.074 933 H CA 0.579 56.662 56.048 0.057 0.000 1.406 933 H CB 1.357 31.149 29.762 0.050 0.000 1.442 933 H HN 0.513 nan 8.280 nan 0.000 0.482 934 V N 5.360 125.028 119.914 -0.409 0.000 2.472 934 V HA 0.745 4.865 4.120 -0.000 0.000 0.290 934 V C -0.649 175.080 176.094 -0.608 0.000 1.037 934 V CA 0.488 62.531 62.300 -0.429 0.000 0.908 934 V CB 0.933 32.605 31.823 -0.253 0.000 0.985 934 V HN 1.039 nan 8.190 nan 0.000 0.454 935 S N 5.301 120.692 115.700 -0.515 0.000 2.688 935 S HA 0.723 5.193 4.470 -0.000 0.000 0.275 935 S C -1.197 173.133 174.600 -0.449 0.000 1.175 935 S CA -0.745 57.262 58.200 -0.321 0.000 0.818 935 S CB 1.430 64.545 63.200 -0.141 0.000 1.157 935 S HN 0.676 nan 8.310 nan 0.000 0.482 936 F N 1.131 121.046 119.950 -0.058 0.000 2.436 936 F HA 0.586 5.113 4.527 -0.000 0.000 0.340 936 F C 0.477 176.287 175.800 0.016 0.000 1.113 936 F CA -0.425 57.529 58.000 -0.077 0.000 1.022 936 F CB 1.915 40.883 39.000 -0.052 0.000 1.128 936 F HN 0.415 nan 8.300 nan 0.000 0.466 937 K N 4.521 124.979 120.400 0.097 0.000 2.413 937 K HA 0.385 4.705 4.320 -0.000 0.000 0.257 937 K C -2.743 173.931 176.600 0.123 0.000 0.946 937 K CA -2.057 54.300 56.287 0.118 0.000 0.823 937 K CB 1.818 34.365 32.500 0.079 0.000 1.109 937 K HN 0.184 nan 8.250 nan 0.000 0.427 938 P HA -0.076 nan 4.420 nan 0.000 0.261 938 P C 0.620 177.957 177.300 0.062 0.000 1.183 938 P CA 0.003 63.158 63.100 0.091 0.000 0.761 938 P CB 0.350 32.107 31.700 0.095 0.000 0.785 939 I N 4.837 125.409 120.570 0.002 0.000 2.423 939 I HA -0.282 3.888 4.170 -0.000 0.000 0.254 939 I C 1.787 177.887 176.117 -0.027 0.000 1.151 939 I CA 1.759 63.022 61.300 -0.063 0.000 1.421 939 I CB -0.720 37.169 38.000 -0.184 0.000 1.079 939 I HN 0.381 nan 8.210 nan 0.000 0.431 940 A N 0.301 123.122 122.820 0.002 0.000 1.854 940 A HA -0.170 4.150 4.320 -0.000 0.000 0.214 940 A C 2.114 179.773 177.584 0.124 0.000 1.192 940 A CA 1.684 53.750 52.037 0.049 0.000 0.611 940 A CB -0.866 18.148 19.000 0.024 0.000 0.832 940 A HN 0.523 nan 8.150 nan 0.000 0.442 941 N N -0.209 118.557 118.700 0.110 0.000 2.205 941 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 941 N C 1.478 177.085 175.510 0.162 0.000 1.015 941 N CA 1.281 54.406 53.050 0.123 0.000 0.862 941 N CB -0.343 38.209 38.487 0.108 0.000 0.986 941 N HN 0.333 nan 8.380 nan 0.000 0.429 942 L N 0.069 121.407 121.223 0.193 0.000 2.131 942 L HA 0.017 4.357 4.340 -0.000 0.000 0.206 942 L C 1.260 178.353 176.870 0.371 0.000 1.087 942 L CA 0.751 55.757 54.840 0.278 0.000 0.767 942 L CB -0.491 41.766 42.059 0.329 0.000 0.917 942 L HN 0.333 nan 8.230 nan 0.000 0.441 943 W N 2.311 123.673 121.300 0.102 0.000 2.264 943 W HA 0.099 4.759 4.660 -0.000 0.000 0.445 943 W C -0.144 176.464 176.519 0.149 0.000 0.720 943 W CA 0.643 58.046 57.345 0.098 0.000 2.352 943 W CB -0.269 29.131 29.460 -0.100 0.000 0.851 943 W HN 0.550 nan 8.180 nan 0.000 0.582 944 E N -0.769 119.531 120.200 0.166 0.000 3.601 944 E HA 0.095 4.445 4.350 -0.000 0.000 0.142 944 E C -0.700 176.024 176.600 0.206 0.000 0.966 944 E CA -0.171 56.317 56.400 0.146 0.000 1.527 944 E CB -0.905 28.882 29.700 0.145 0.000 1.089 944 E HN 0.225 nan 8.360 nan 0.000 0.383 945 N N 0.216 119.084 118.700 0.280 0.000 1.986 945 N HA 0.002 4.742 4.740 -0.000 0.000 0.227 945 N C -0.717 175.001 175.510 0.346 0.000 1.387 945 N CA -0.044 53.225 53.050 0.366 0.000 0.810 945 N CB 0.862 39.490 38.487 0.235 0.000 1.140 945 N HN 0.225 nan 8.380 nan 0.000 0.504 946 E N 0.304 120.591 120.200 0.144 0.000 2.254 946 E HA 0.240 4.590 4.350 -0.000 0.000 0.261 946 E C 0.057 176.377 176.600 -0.466 0.000 1.051 946 E CA -0.414 55.911 56.400 -0.125 0.000 0.902 946 E CB 0.852 30.438 29.700 -0.190 0.000 1.168 946 E HN -0.182 nan 8.360 nan 0.000 0.423 947 T N 0.928 115.189 114.554 -0.489 0.000 3.308 947 T HA 0.128 4.478 4.350 -0.000 0.000 0.270 947 T C 0.173 174.668 174.700 -0.341 0.000 0.992 947 T CA 0.037 61.790 62.100 -0.578 0.000 0.931 947 T CB -0.977 67.527 68.868 -0.607 0.000 1.142 947 T HN 0.536 nan 8.240 nan 0.000 0.525 948 N N 1.092 119.600 118.700 -0.320 0.000 0.925 948 N HA -0.237 4.503 4.740 -0.000 0.000 0.157 948 N C 0.692 176.224 175.510 0.037 0.000 0.335 948 N CA 1.647 54.586 53.050 -0.185 0.000 0.838 948 N CB -1.234 37.017 38.487 -0.392 0.000 1.717 948 N HN 0.157 nan 8.380 nan 0.000 0.647 949 V N 0.661 120.654 119.914 0.131 0.000 1.995 949 V HA 0.003 4.123 4.120 -0.000 0.000 0.247 949 V C 1.180 177.280 176.094 0.011 0.000 1.793 949 V CA 1.543 63.914 62.300 0.120 0.000 1.703 949 V CB -1.933 29.975 31.823 0.142 0.000 1.537 949 V HN 0.632 nan 8.190 nan 0.000 0.487 950 E N 0.884 121.046 120.200 -0.064 0.000 3.812 950 E HA 0.264 4.614 4.350 -0.000 0.000 0.195 950 E C 0.975 177.447 176.600 -0.213 0.000 1.229 950 E CA -0.233 56.088 56.400 -0.132 0.000 0.844 950 E CB -0.259 29.343 29.700 -0.163 0.000 3.096 950 E HN 0.178 nan 8.360 nan 0.000 0.617 951 L N 2.406 123.437 121.223 -0.319 0.000 2.592 951 L HA 0.334 4.674 4.340 -0.000 0.000 0.227 951 L C -0.090 176.581 176.870 -0.331 0.000 1.127 951 L CA 0.445 55.029 54.840 -0.427 0.000 0.884 951 L CB -0.472 41.298 42.059 -0.481 0.000 1.065 951 L HN 0.380 nan 8.230 nan 0.000 0.457 952 R N 0.956 121.148 120.500 -0.514 0.000 2.672 952 R HA -0.225 4.115 4.340 -0.000 0.000 0.268 952 R C -0.515 175.219 176.300 -0.944 0.000 0.935 952 R CA 0.434 55.825 56.100 -1.180 0.000 0.776 952 R CB -1.566 28.002 30.300 -1.220 0.000 1.954 952 R HN 0.250 nan 8.270 nan 0.000 0.523 953 K N 1.163 121.175 120.400 -0.647 0.000 2.685 953 K HA 0.431 4.751 4.320 -0.000 0.000 0.290 953 K C -0.840 175.643 176.600 -0.196 0.000 1.018 953 K CA 0.052 56.159 56.287 -0.301 0.000 0.860 953 K CB 1.194 33.582 32.500 -0.187 0.000 1.498 953 K HN 0.488 nan 8.250 nan 0.000 0.390 954 G N 1.876 110.614 108.800 -0.103 0.000 2.380 954 G HA2 0.263 4.223 3.960 -0.000 0.000 0.262 954 G HA3 0.263 4.223 3.960 -0.000 0.000 0.262 954 G C 0.391 175.283 174.900 -0.013 0.000 1.243 954 G CA -0.393 44.677 45.100 -0.050 0.000 0.865 954 G HN 0.444 nan 8.290 nan 0.000 0.513 955 F N 0.825 120.758 119.950 -0.028 0.000 2.045 955 F HA -0.140 4.387 4.527 -0.000 0.000 0.297 955 F C 2.107 177.880 175.800 -0.045 0.000 1.114 955 F CA 2.128 60.106 58.000 -0.038 0.000 1.207 955 F CB -0.105 38.877 39.000 -0.030 0.000 0.964 955 F HN 0.684 nan 8.300 nan 0.000 0.486 956 E N -0.173 120.149 120.200 0.202 0.000 2.351 956 E HA 0.427 4.777 4.350 -0.000 0.000 0.255 956 E C -1.214 175.367 176.600 -0.031 0.000 1.188 956 E CA -0.538 55.907 56.400 0.075 0.000 0.940 956 E CB 1.363 31.112 29.700 0.081 0.000 1.094 956 E HN -0.091 nan 8.360 nan 0.000 0.474 957 V N 1.972 121.762 119.914 -0.207 0.000 2.524 957 V HA 0.157 4.277 4.120 -0.000 0.000 0.297 957 V C -1.219 174.509 176.094 -0.610 0.000 1.035 957 V CA -0.856 61.042 62.300 -0.669 0.000 0.867 957 V CB 1.131 32.309 31.823 -1.074 0.000 1.004 957 V HN 0.819 nan 8.190 nan 0.000 0.426 958 H N 3.150 122.023 119.070 -0.329 0.000 2.423 958 H HA 0.450 5.006 4.556 -0.000 0.000 0.227 958 H C -0.181 175.230 175.328 0.139 0.000 1.596 958 H CA -0.837 55.201 56.048 -0.016 0.000 1.207 958 H CB 0.132 30.001 29.762 0.178 0.000 1.595 958 H HN 0.705 nan 8.280 nan 0.000 0.534 959 W N -0.978 120.080 121.300 -0.404 0.000 1.090 959 W HA 0.400 5.060 4.660 -0.000 0.000 0.168 959 W C 0.873 177.117 176.519 -0.459 0.000 0.705 959 W CA -0.069 56.719 57.345 -0.928 0.000 0.686 959 W CB -0.595 28.244 29.460 -1.035 0.000 0.796 959 W HN 0.452 nan 8.180 nan 0.000 0.443 960 A N 1.400 124.092 122.820 -0.212 0.000 2.245 960 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 960 A C 1.750 179.339 177.584 0.008 0.000 1.171 960 A CA 2.319 54.291 52.037 -0.108 0.000 0.688 960 A CB -0.350 18.553 19.000 -0.161 0.000 0.781 960 A HN 0.283 nan 8.150 nan 0.000 0.479 961 E N -1.070 119.167 120.200 0.062 0.000 2.075 961 E HA -0.012 4.338 4.350 -0.000 0.000 0.190 961 E C 1.617 178.357 176.600 0.233 0.000 0.969 961 E CA 0.986 57.472 56.400 0.144 0.000 0.815 961 E CB -0.554 29.261 29.700 0.193 0.000 0.776 961 E HN 0.775 nan 8.360 nan 0.000 0.457 962 Y N 1.708 122.081 120.300 0.122 0.000 1.977 962 Y HA -0.355 4.195 4.550 -0.000 0.000 0.264 962 Y C 2.285 178.203 175.900 0.030 0.000 1.167 962 Y CA 0.732 58.877 58.100 0.075 0.000 1.102 962 Y CB -0.535 38.002 38.460 0.129 0.000 0.948 962 Y HN 0.092 nan 8.280 nan 0.000 0.489 963 N N 0.633 119.484 118.700 0.252 0.000 2.058 963 N HA -0.264 4.476 4.740 -0.000 0.000 0.200 963 N C 1.757 177.300 175.510 0.054 0.000 1.033 963 N CA 1.800 54.926 53.050 0.126 0.000 0.880 963 N CB -0.568 37.983 38.487 0.107 0.000 1.069 963 N HN 0.334 nan 8.380 nan 0.000 0.461 964 K N 0.687 121.114 120.400 0.045 0.000 2.103 964 K HA -0.059 4.261 4.320 -0.000 0.000 0.207 964 K C 2.224 178.806 176.600 -0.029 0.000 1.048 964 K CA 0.799 57.091 56.287 0.008 0.000 0.930 964 K CB -0.081 32.431 32.500 0.021 0.000 0.716 964 K HN 0.154 nan 8.250 nan 0.000 0.444 965 I N 0.084 120.645 120.570 -0.016 0.000 2.113 965 I HA -0.207 3.963 4.170 -0.000 0.000 0.238 965 I C 2.426 178.486 176.117 -0.095 0.000 1.070 965 I CA 1.436 62.691 61.300 -0.075 0.000 1.332 965 I CB -0.732 37.230 38.000 -0.063 0.000 1.044 965 I HN 0.354 nan 8.210 nan 0.000 0.402 966 G N 0.251 109.020 108.800 -0.051 0.000 2.503 966 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.221 966 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.221 966 G C 1.123 175.987 174.900 -0.059 0.000 1.131 966 G CA 1.464 46.531 45.100 -0.056 0.000 0.756 966 G HN 0.339 nan 8.290 nan 0.000 0.572 967 D N -0.381 119.984 120.400 -0.059 0.000 2.350 967 D HA 0.038 4.678 4.640 -0.000 0.000 0.216 967 D C 2.304 178.550 176.300 -0.091 0.000 0.968 967 D CA 0.342 54.300 54.000 -0.069 0.000 0.894 967 D CB 0.075 40.839 40.800 -0.061 0.000 0.909 967 D HN 0.454 nan 8.370 nan 0.000 0.520 968 I N -0.797 119.697 120.570 -0.126 0.000 2.681 968 I HA -0.068 4.102 4.170 -0.000 0.000 0.247 968 I C 1.898 178.067 176.117 0.086 0.000 1.091 968 I CA 0.212 61.413 61.300 -0.165 0.000 1.442 968 I CB -0.037 37.684 38.000 -0.464 0.000 1.219 968 I HN -0.072 nan 8.210 nan 0.000 0.451 969 L N 0.988 122.208 121.223 -0.005 0.000 2.083 969 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 969 L C 2.808 179.732 176.870 0.090 0.000 1.083 969 L CA 1.625 56.452 54.840 -0.021 0.000 0.752 969 L CB -0.911 41.044 42.059 -0.172 0.000 0.899 969 L HN 0.365 nan 8.230 nan 0.000 0.433 970 S N -0.085 115.640 115.700 0.043 0.000 2.374 970 S HA -0.129 4.341 4.470 -0.000 0.000 0.227 970 S C 1.734 176.403 174.600 0.116 0.000 1.037 970 S CA 1.267 59.486 58.200 0.032 0.000 1.024 970 S CB -0.462 62.724 63.200 -0.023 0.000 0.861 970 S HN 0.609 nan 8.310 nan 0.000 0.456 971 G N 1.200 110.095 108.800 0.159 0.000 2.192 971 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.193 971 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.193 971 G C 0.734 175.553 174.900 -0.136 0.000 0.999 971 G CA 0.619 45.751 45.100 0.053 0.000 0.659 971 G HN 0.679 nan 8.290 nan 0.000 0.503 972 R N 0.462 120.903 120.500 -0.098 0.000 2.113 972 R HA 0.103 4.443 4.340 -0.000 0.000 0.231 972 R C 2.459 178.681 176.300 -0.131 0.000 1.129 972 R CA 2.075 58.105 56.100 -0.117 0.000 0.915 972 R CB -0.615 29.627 30.300 -0.096 0.000 0.837 972 R HN 0.392 nan 8.270 nan 0.000 0.430 973 L N 0.968 122.121 121.223 -0.117 0.000 2.081 973 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 973 L C 2.898 179.685 176.870 -0.139 0.000 1.080 973 L CA 1.935 56.716 54.840 -0.098 0.000 0.754 973 L CB -0.472 41.551 42.059 -0.059 0.000 0.893 973 L HN 0.400 nan 8.230 nan 0.000 0.433 974 K N 0.478 120.735 120.400 -0.238 0.000 2.032 974 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 974 K C 2.101 178.548 176.600 -0.254 0.000 1.048 974 K CA 1.496 57.578 56.287 -0.342 0.000 0.927 974 K CB -0.129 31.954 32.500 -0.695 0.000 0.712 974 K HN 0.253 nan 8.250 nan 0.000 0.441 975 L N 0.434 121.514 121.223 -0.239 0.000 2.141 975 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 975 L C 2.645 179.442 176.870 -0.123 0.000 1.094 975 L CA 0.984 55.710 54.840 -0.190 0.000 0.763 975 L CB -0.345 41.593 42.059 -0.201 0.000 0.908 975 L HN 0.179 nan 8.230 nan 0.000 0.437 976 R N 0.075 120.510 120.500 -0.108 0.000 2.073 976 R HA -0.158 4.182 4.340 -0.000 0.000 0.234 976 R C 2.463 178.727 176.300 -0.060 0.000 1.134 976 R CA 1.411 57.469 56.100 -0.071 0.000 0.952 976 R CB -0.572 29.693 30.300 -0.059 0.000 0.850 976 R HN 0.361 nan 8.270 nan 0.000 0.433 977 A N 1.775 124.552 122.820 -0.072 0.000 1.851 977 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 977 A C 1.966 179.521 177.584 -0.048 0.000 1.195 977 A CA 1.734 53.736 52.037 -0.059 0.000 0.622 977 A CB -0.594 18.361 19.000 -0.074 0.000 0.831 977 A HN 0.381 nan 8.150 nan 0.000 0.444 978 E N -0.332 119.834 120.200 -0.056 0.000 2.147 978 E HA -0.173 4.177 4.350 -0.000 0.000 0.199 978 E C 1.626 178.216 176.600 -0.016 0.000 1.005 978 E CA 1.479 57.862 56.400 -0.028 0.000 0.810 978 E CB -0.440 29.255 29.700 -0.009 0.000 0.736 978 E HN 0.420 nan 8.360 nan 0.000 0.460 979 V N 0.271 120.171 119.914 -0.023 0.000 3.383 979 V HA -0.004 4.116 4.120 -0.000 0.000 0.272 979 V C 0.637 176.725 176.094 -0.009 0.000 1.181 979 V CA 0.940 63.233 62.300 -0.012 0.000 1.171 979 V CB -0.959 30.855 31.823 -0.016 0.000 0.800 979 V HN 0.280 nan 8.190 nan 0.000 0.515 980 A N 0.000 122.812 122.820 -0.014 0.000 2.254 980 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 980 A CA 0.000 52.030 52.037 -0.011 0.000 0.836 980 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 980 A HN 0.000 nan 8.150 nan 0.000 0.486