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 3oh6_1_A DATA FIRST_RESID -6 DATA SEQUENCE MADIGSEFYT LNWQPPYDWS WMLGFLAARA VSSVETVADS YYARSLAVGE DATA SEQUENCE YRGVVTAIPD IARHTLHINL SAGLEPVAAE CLAKMSRLFD LQCNPQIVNG DATA SEQUENCE ALGRLGAARP GLRLPGCVDA FEQGVRAILG QLVSVAMAAK LTARVAQLYG DATA SEQUENCE ERLDDFPEYI CFPTPQRLAA ADPQALKALG MPLKRAEALI HLANAALEGT DATA SEQUENCE LPMTIPGDVE QAMKTLQTFP GIGRWTANYF ALRGWQAKDV FLPDDCLIKQ DATA SEQUENCE RFPGMTPAQI RRYAERWKPW RSYALLHIWY TEGWQPDE 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 -6 M HA 0.000 nan 4.480 nan 0.000 0.227 -6 M C 0.000 176.292 176.300 -0.014 0.000 1.140 -6 M CA 0.000 55.248 55.300 -0.087 0.000 0.988 -6 M CB 0.000 32.424 32.600 -0.294 0.000 1.302 -5 A N -0.097 122.751 122.820 0.048 0.000 2.304 -5 A HA 0.570 4.889 4.320 -0.002 0.000 0.271 -5 A C -0.102 177.561 177.584 0.131 0.000 1.091 -5 A CA -0.223 51.863 52.037 0.082 0.000 0.812 -5 A CB 0.418 19.470 19.000 0.087 0.000 1.056 -5 A HN 0.503 nan 8.150 nan 0.000 0.489 -4 D N 0.498 120.993 120.400 0.159 0.000 2.571 -4 D HA 0.062 4.700 4.640 -0.002 0.000 0.231 -4 D C 1.009 177.397 176.300 0.146 0.000 1.133 -4 D CA 0.557 54.674 54.000 0.195 0.000 0.862 -4 D CB 0.309 41.277 40.800 0.281 0.000 1.179 -4 D HN 0.431 nan 8.370 nan 0.000 0.474 -3 I N -0.672 119.944 120.570 0.076 0.000 3.883 -3 I HA 0.359 4.527 4.170 -0.002 0.000 0.326 -3 I C 0.942 177.119 176.117 0.100 0.000 1.283 -3 I CA -0.121 61.222 61.300 0.072 0.000 1.161 -3 I CB 0.053 37.910 38.000 -0.239 0.000 1.012 -3 I HN 0.253 nan 8.210 nan 0.000 0.421 -2 G N -0.031 108.754 108.800 -0.026 0.000 2.660 -2 G HA2 0.404 4.363 3.960 -0.002 0.000 0.290 -2 G HA3 0.404 4.363 3.960 -0.002 0.000 0.290 -2 G C -0.034 174.774 174.900 -0.153 0.000 1.432 -2 G CA 0.114 45.180 45.100 -0.057 0.000 0.807 -2 G HN 0.025 nan 8.290 nan 0.000 0.485 -1 S N -0.935 114.719 115.700 -0.077 0.000 2.486 -1 S HA 0.147 4.615 4.470 -0.002 0.000 0.220 -1 S C 0.343 174.899 174.600 -0.072 0.000 1.011 -1 S CA 0.527 58.719 58.200 -0.013 0.000 0.921 -1 S CB 0.060 63.284 63.200 0.040 0.000 0.785 -1 S HN 0.409 nan 8.310 nan 0.000 0.517 0 E N 1.019 121.115 120.200 -0.174 0.000 2.283 0 E HA 0.499 4.848 4.350 -0.002 0.000 0.278 0 E C -1.316 174.986 176.600 -0.496 0.000 1.027 0 E CA -0.234 56.029 56.400 -0.227 0.000 0.843 0 E CB 0.893 30.535 29.700 -0.095 0.000 1.062 0 E HN 0.418 nan 8.360 nan 0.000 0.401 1 F N 1.558 121.275 119.950 -0.387 0.000 2.579 1 F HA 0.489 5.016 4.527 -0.002 0.000 0.324 1 F C -0.437 174.993 175.800 -0.617 0.000 1.058 1 F CA -0.705 57.135 58.000 -0.267 0.000 0.944 1 F CB 1.348 40.282 39.000 -0.109 0.000 1.245 1 F HN 0.302 nan 8.300 nan 0.000 0.477 2 Y N -0.958 119.497 120.300 0.258 0.000 2.597 2 Y HA 0.596 5.145 4.550 -0.001 0.000 0.340 2 Y C -0.597 175.393 175.900 0.150 0.000 1.097 2 Y CA -1.117 57.076 58.100 0.155 0.000 1.037 2 Y CB 2.496 41.011 38.460 0.091 0.000 1.305 2 Y HN 0.335 nan 8.280 nan 0.000 0.463 3 T N 3.418 118.117 114.554 0.242 0.000 2.881 3 T HA 0.564 4.912 4.350 -0.002 0.000 0.291 3 T C -1.119 173.633 174.700 0.086 0.000 0.990 3 T CA -0.613 61.550 62.100 0.104 0.000 0.976 3 T CB 0.497 69.397 68.868 0.055 0.000 0.970 3 T HN 0.338 nan 8.240 nan 0.000 0.438 4 L N 3.627 124.885 121.223 0.059 0.000 2.319 4 L HA 0.487 4.826 4.340 -0.002 0.000 0.281 4 L C 0.195 177.132 176.870 0.112 0.000 1.005 4 L CA -0.949 53.953 54.840 0.102 0.000 0.828 4 L CB 1.478 43.624 42.059 0.144 0.000 1.227 4 L HN 0.542 nan 8.230 nan 0.000 0.415 5 N N 2.579 121.339 118.700 0.100 0.000 2.525 5 N HA 0.339 5.078 4.740 -0.002 0.000 0.271 5 N C -1.091 174.547 175.510 0.212 0.000 1.194 5 N CA -0.130 52.978 53.050 0.095 0.000 0.964 5 N CB 0.776 39.301 38.487 0.063 0.000 1.126 5 N HN 0.439 nan 8.380 nan 0.000 0.452 6 W N 2.253 123.617 121.300 0.107 0.000 3.033 6 W HA 0.448 5.106 4.660 -0.003 0.000 0.336 6 W C -1.290 175.223 176.519 -0.009 0.000 1.173 6 W CA -1.138 56.257 57.345 0.084 0.000 1.185 6 W CB 0.429 29.974 29.460 0.142 0.000 1.425 6 W HN 0.361 nan 8.180 nan 0.000 0.536 7 Q N 4.281 124.295 119.800 0.356 0.000 2.337 7 Q HA 0.466 4.804 4.340 -0.002 0.000 0.255 7 Q C -2.388 173.804 176.000 0.320 0.000 0.997 7 Q CA -1.847 54.035 55.803 0.132 0.000 0.925 7 Q CB 1.175 29.943 28.738 0.050 0.000 1.212 7 Q HN 0.205 nan 8.270 nan 0.000 0.436 8 P HA 0.180 nan 4.420 nan 0.000 0.272 8 P C -2.553 174.810 177.300 0.106 0.000 1.223 8 P CA -1.051 62.208 63.100 0.265 0.000 0.784 8 P CB 0.206 31.978 31.700 0.121 0.000 0.923 9 P HA 0.209 nan 4.420 nan 0.000 0.276 9 P C -1.523 175.866 177.300 0.147 0.000 1.261 9 P CA 0.015 63.203 63.100 0.148 0.000 0.800 9 P CB 0.574 32.298 31.700 0.039 0.000 1.066 10 Y N -0.176 120.107 120.300 -0.028 0.000 2.275 10 Y HA 0.178 4.726 4.550 -0.003 0.000 0.319 10 Y C -1.237 174.457 175.900 -0.343 0.000 1.204 10 Y CA -1.186 56.703 58.100 -0.351 0.000 1.136 10 Y CB 0.817 38.810 38.460 -0.778 0.000 1.228 10 Y HN 0.240 nan 8.280 nan 0.000 0.413 11 D N 4.703 125.047 120.400 -0.094 0.000 2.435 11 D HA 0.058 4.696 4.640 -0.002 0.000 0.230 11 D C 0.344 176.722 176.300 0.130 0.000 1.215 11 D CA 0.150 54.170 54.000 0.033 0.000 0.947 11 D CB 0.210 40.977 40.800 -0.055 0.000 1.048 11 D HN 0.716 nan 8.370 nan 0.000 0.512 12 W N 1.904 123.324 121.300 0.199 0.000 2.418 12 W HA -0.117 4.541 4.660 -0.003 0.000 0.292 12 W C 2.629 179.217 176.519 0.115 0.000 1.213 12 W CA 0.153 57.550 57.345 0.087 0.000 1.283 12 W CB -0.150 29.241 29.460 -0.115 0.000 1.119 12 W HN 0.297 nan 8.180 nan 0.000 0.542 13 S N -0.379 115.528 115.700 0.345 0.000 2.381 13 S HA -0.314 4.154 4.470 -0.002 0.000 0.230 13 S C 1.269 176.013 174.600 0.239 0.000 1.052 13 S CA 2.050 60.400 58.200 0.251 0.000 1.068 13 S CB -0.833 62.493 63.200 0.210 0.000 0.918 13 S HN 0.531 nan 8.310 nan 0.000 0.448 14 W N 1.102 122.436 121.300 0.057 0.000 2.443 14 W HA -0.012 4.646 4.660 -0.003 0.000 0.296 14 W C 2.219 178.745 176.519 0.012 0.000 1.202 14 W CA 1.253 58.595 57.345 -0.005 0.000 1.312 14 W CB -0.469 28.928 29.460 -0.104 0.000 1.120 14 W HN 0.272 nan 8.180 nan 0.000 0.536 15 M N 0.989 120.682 119.600 0.155 0.000 2.115 15 M HA -0.242 4.237 4.480 -0.002 0.000 0.258 15 M C 1.985 178.263 176.300 -0.037 0.000 1.071 15 M CA 2.239 57.498 55.300 -0.068 0.000 1.100 15 M CB -1.170 31.525 32.600 0.159 0.000 1.292 15 M HN 0.141 nan 8.290 nan 0.000 0.415 16 L N -0.647 120.681 121.223 0.175 0.000 2.265 16 L HA -0.062 4.277 4.340 -0.002 0.000 0.215 16 L C 2.435 179.356 176.870 0.085 0.000 1.117 16 L CA 0.862 55.819 54.840 0.196 0.000 0.782 16 L CB -1.512 40.700 42.059 0.256 0.000 0.914 16 L HN 0.622 nan 8.230 nan 0.000 0.441 17 G N 0.158 108.954 108.800 -0.007 0.000 2.433 17 G HA2 -0.334 3.624 3.960 -0.002 0.000 0.216 17 G HA3 -0.334 3.624 3.960 -0.002 0.000 0.216 17 G C 1.457 176.274 174.900 -0.138 0.000 1.186 17 G CA 0.638 45.700 45.100 -0.064 0.000 0.779 17 G HN 0.301 nan 8.290 nan 0.000 0.543 18 F N 1.177 120.815 119.950 -0.521 0.000 2.095 18 F HA 0.024 4.549 4.527 -0.003 0.000 0.298 18 F C 2.389 178.026 175.800 -0.272 0.000 1.104 18 F CA 1.212 58.882 58.000 -0.551 0.000 1.232 18 F CB -0.142 38.223 39.000 -1.058 0.000 0.987 18 F HN 0.004 nan 8.300 nan 0.000 0.475 19 L N -0.304 120.976 121.223 0.096 0.000 2.275 19 L HA -0.112 4.226 4.340 -0.002 0.000 0.215 19 L C 2.550 179.467 176.870 0.078 0.000 1.119 19 L CA 1.004 55.907 54.840 0.105 0.000 0.790 19 L CB -1.138 40.970 42.059 0.082 0.000 0.919 19 L HN 0.307 nan 8.230 nan 0.000 0.443 20 A N -0.181 122.669 122.820 0.050 0.000 2.021 20 A HA 0.072 4.391 4.320 -0.002 0.000 0.216 20 A C 2.438 180.017 177.584 -0.008 0.000 1.163 20 A CA 1.071 53.144 52.037 0.061 0.000 0.676 20 A CB -0.260 18.784 19.000 0.074 0.000 0.818 20 A HN 0.336 nan 8.150 nan 0.000 0.453 21 A N -0.230 122.536 122.820 -0.091 0.000 2.119 21 A HA -0.031 4.287 4.320 -0.002 0.000 0.217 21 A C 2.057 179.570 177.584 -0.119 0.000 1.153 21 A CA 1.200 53.165 52.037 -0.120 0.000 0.692 21 A CB -0.232 18.653 19.000 -0.191 0.000 0.799 21 A HN 0.525 nan 8.150 nan 0.000 0.458 22 R N -0.940 119.489 120.500 -0.119 0.000 2.404 22 R HA 0.344 4.683 4.340 -0.002 0.000 0.237 22 R C 0.626 176.931 176.300 0.008 0.000 0.907 22 R CA 0.372 56.427 56.100 -0.075 0.000 1.063 22 R CB 0.119 30.346 30.300 -0.122 0.000 1.134 22 R HN 0.334 nan 8.270 nan 0.000 0.529 23 A N 1.841 124.683 122.820 0.037 0.000 2.583 23 A HA 0.034 4.353 4.320 -0.002 0.000 0.249 23 A C 0.423 178.048 177.584 0.067 0.000 1.035 23 A CA 0.290 52.374 52.037 0.079 0.000 0.777 23 A CB 0.045 19.096 19.000 0.085 0.000 0.942 23 A HN 0.032 nan 8.150 nan 0.000 0.516 24 V N 4.498 124.467 119.914 0.091 0.000 2.389 24 V HA 0.123 4.242 4.120 -0.002 0.000 0.264 24 V C 1.165 177.308 176.094 0.083 0.000 1.049 24 V CA 0.112 62.470 62.300 0.097 0.000 0.932 24 V CB 0.825 32.743 31.823 0.158 0.000 1.011 24 V HN 1.010 nan 8.190 nan 0.000 0.475 25 S N 4.434 120.167 115.700 0.054 0.000 2.626 25 S HA 0.042 4.510 4.470 -0.002 0.000 0.303 25 S C 1.287 175.912 174.600 0.041 0.000 1.256 25 S CA 1.038 59.260 58.200 0.037 0.000 1.069 25 S CB -0.140 63.069 63.200 0.015 0.000 0.807 25 S HN 1.140 nan 8.310 nan 0.000 0.500 26 S N 1.813 117.536 115.700 0.038 0.000 2.000 26 S HA -0.171 4.298 4.470 -0.002 0.000 0.243 26 S C 0.992 175.687 174.600 0.158 0.000 1.092 26 S CA 1.103 59.323 58.200 0.033 0.000 1.426 26 S CB -1.480 61.726 63.200 0.010 0.000 1.779 26 S HN 0.644 nan 8.310 nan 0.000 0.565 27 V N 1.839 121.857 119.914 0.173 0.000 2.426 27 V HA 0.163 4.282 4.120 -0.002 0.000 0.242 27 V C 0.792 177.007 176.094 0.201 0.000 1.036 27 V CA 1.724 64.150 62.300 0.211 0.000 1.044 27 V CB -0.113 31.828 31.823 0.198 0.000 0.688 27 V HN 0.744 nan 8.190 nan 0.000 0.462 28 E N -0.055 120.232 120.200 0.145 0.000 2.356 28 E HA 0.547 4.896 4.350 -0.002 0.000 0.275 28 E C -0.940 175.693 176.600 0.056 0.000 0.904 28 E CA -0.642 55.770 56.400 0.020 0.000 0.757 28 E CB 2.239 31.880 29.700 -0.098 0.000 1.232 28 E HN 0.148 nan 8.360 nan 0.000 0.442 29 T N -0.408 114.148 114.554 0.003 0.000 2.840 29 T HA 0.522 4.871 4.350 -0.002 0.000 0.287 29 T C -0.804 173.926 174.700 0.050 0.000 0.991 29 T CA -0.576 61.568 62.100 0.074 0.000 0.964 29 T CB 1.090 70.064 68.868 0.176 0.000 0.954 29 T HN 0.324 nan 8.240 nan 0.000 0.438 30 V N 3.245 123.234 119.914 0.124 0.000 2.555 30 V HA 0.946 5.065 4.120 -0.002 0.000 0.302 30 V C 0.523 176.743 176.094 0.211 0.000 1.038 30 V CA -0.495 61.930 62.300 0.209 0.000 0.887 30 V CB 0.873 32.848 31.823 0.253 0.000 0.991 30 V HN 1.336 nan 8.190 nan 0.000 0.434 31 A N 2.491 125.467 122.820 0.260 0.000 2.681 31 A HA 0.657 4.976 4.320 -0.002 0.000 0.278 31 A C 0.573 178.265 177.584 0.181 0.000 1.272 31 A CA -0.165 51.990 52.037 0.197 0.000 0.750 31 A CB 0.302 19.411 19.000 0.182 0.000 1.351 31 A HN 0.637 nan 8.150 nan 0.000 0.514 32 D N 0.670 121.150 120.400 0.133 0.000 2.205 32 D HA -0.085 4.553 4.640 -0.002 0.000 0.190 32 D C 0.754 177.126 176.300 0.120 0.000 1.002 32 D CA 2.596 56.661 54.000 0.109 0.000 0.848 32 D CB -0.131 40.714 40.800 0.075 0.000 0.975 32 D HN 0.279 nan 8.370 nan 0.000 0.449 33 S N -1.507 114.268 115.700 0.124 0.000 2.665 33 S HA 0.244 4.712 4.470 -0.002 0.000 0.235 33 S C -1.035 173.648 174.600 0.138 0.000 1.084 33 S CA -0.604 57.638 58.200 0.069 0.000 1.151 33 S CB 0.547 63.754 63.200 0.011 0.000 1.151 33 S HN 0.277 nan 8.310 nan 0.000 0.461 34 Y N 1.060 121.388 120.300 0.048 0.000 2.421 34 Y HA 0.618 5.167 4.550 -0.002 0.000 0.339 34 Y C -1.687 174.327 175.900 0.191 0.000 0.996 34 Y CA -1.131 57.017 58.100 0.080 0.000 1.046 34 Y CB 1.300 39.797 38.460 0.062 0.000 1.226 34 Y HN 0.324 nan 8.280 nan 0.000 0.445 35 Y N 4.803 124.843 120.300 -0.433 0.000 2.354 35 Y HA 0.805 5.353 4.550 -0.004 0.000 0.330 35 Y C -1.513 174.106 175.900 -0.468 0.000 1.011 35 Y CA -0.615 57.335 58.100 -0.250 0.000 1.099 35 Y CB 1.276 39.809 38.460 0.122 0.000 1.179 35 Y HN 0.776 nan 8.280 nan 0.000 0.442 36 A N 6.297 128.599 122.820 -0.863 0.000 2.454 36 A HA 1.010 5.328 4.320 -0.002 0.000 0.302 36 A C -1.318 175.844 177.584 -0.702 0.000 1.079 36 A CA -0.902 50.744 52.037 -0.652 0.000 0.731 36 A CB 1.892 20.667 19.000 -0.374 0.000 1.299 36 A HN 0.935 nan 8.150 nan 0.000 0.413 37 R N -0.374 119.765 120.500 -0.602 0.000 2.687 37 R HA 0.562 4.901 4.340 -0.002 0.000 0.265 37 R C -0.513 175.480 176.300 -0.512 0.000 1.048 37 R CA 0.015 55.809 56.100 -0.510 0.000 0.884 37 R CB 0.538 30.635 30.300 -0.339 0.000 1.258 37 R HN 1.144 nan 8.270 nan 0.000 0.469 38 S N 1.383 116.845 115.700 -0.398 0.000 2.580 38 S HA 0.488 4.956 4.470 -0.002 0.000 0.266 38 S C -0.120 174.416 174.600 -0.106 0.000 1.354 38 S CA -0.431 57.630 58.200 -0.232 0.000 1.008 38 S CB 0.806 63.991 63.200 -0.025 0.000 0.898 38 S HN 0.558 nan 8.310 nan 0.000 0.555 39 L N 0.654 121.848 121.223 -0.048 0.000 2.588 39 L HA 0.656 4.995 4.340 -0.002 0.000 0.263 39 L C -0.670 176.225 176.870 0.041 0.000 0.935 39 L CA -0.080 54.757 54.840 -0.005 0.000 0.891 39 L CB 1.566 43.605 42.059 -0.033 0.000 1.318 39 L HN 1.122 nan 8.230 nan 0.000 0.409 40 A N 3.928 126.789 122.820 0.068 0.000 2.337 40 A HA 0.889 5.208 4.320 -0.002 0.000 0.329 40 A C -1.278 176.361 177.584 0.092 0.000 1.146 40 A CA -0.525 51.567 52.037 0.092 0.000 0.800 40 A CB 1.612 20.675 19.000 0.104 0.000 1.220 40 A HN 0.521 nan 8.150 nan 0.000 0.472 41 V N 2.900 122.886 119.914 0.120 0.000 2.439 41 V HA 0.584 4.702 4.120 -0.002 0.000 0.277 41 V C 0.986 177.187 176.094 0.178 0.000 1.008 41 V CA 0.238 62.610 62.300 0.119 0.000 0.846 41 V CB -0.088 31.788 31.823 0.090 0.000 1.031 41 V HN 2.070 nan 8.190 nan 0.000 0.441 42 G N 5.076 113.954 108.800 0.130 0.000 2.622 42 G HA2 -0.326 3.633 3.960 -0.002 0.000 0.307 42 G HA3 -0.326 3.633 3.960 -0.002 0.000 0.307 42 G C 0.618 175.565 174.900 0.077 0.000 1.226 42 G CA 0.995 46.164 45.100 0.115 0.000 0.997 42 G HN 0.672 nan 8.290 nan 0.000 0.551 43 E N 0.244 120.447 120.200 0.005 0.000 2.358 43 E HA 0.233 4.581 4.350 -0.002 0.000 0.195 43 E C 0.695 177.164 176.600 -0.219 0.000 1.010 43 E CA 0.603 56.901 56.400 -0.169 0.000 0.856 43 E CB -0.051 29.447 29.700 -0.338 0.000 0.795 43 E HN 0.534 nan 8.360 nan 0.000 0.504 44 Y N 0.877 121.197 120.300 0.032 0.000 2.299 44 Y HA 0.403 4.951 4.550 -0.004 0.000 0.326 44 Y C 0.776 176.699 175.900 0.038 0.000 1.164 44 Y CA -0.585 57.535 58.100 0.033 0.000 1.234 44 Y CB 0.793 39.269 38.460 0.026 0.000 1.219 44 Y HN -0.290 nan 8.280 nan 0.000 0.497 45 R N 1.407 122.020 120.500 0.188 0.000 2.750 45 R HA 0.818 5.156 4.340 -0.002 0.000 0.281 45 R C -0.224 176.158 176.300 0.136 0.000 0.972 45 R CA -1.041 55.139 56.100 0.133 0.000 0.912 45 R CB 1.798 32.163 30.300 0.108 0.000 1.187 45 R HN 0.943 nan 8.270 nan 0.000 0.464 46 G N -0.258 108.598 108.800 0.094 0.000 2.341 46 G HA2 0.364 4.322 3.960 -0.002 0.000 0.299 46 G HA3 0.364 4.322 3.960 -0.002 0.000 0.299 46 G C -1.856 173.005 174.900 -0.064 0.000 1.274 46 G CA -0.467 44.676 45.100 0.071 0.000 0.853 46 G HN 0.273 nan 8.290 nan 0.000 0.493 47 V N -0.177 119.626 119.914 -0.185 0.000 2.604 47 V HA 0.731 4.849 4.120 -0.002 0.000 0.305 47 V C -0.500 175.423 176.094 -0.285 0.000 1.043 47 V CA -0.806 61.262 62.300 -0.387 0.000 0.888 47 V CB 1.478 32.857 31.823 -0.740 0.000 0.995 47 V HN 0.941 nan 8.190 nan 0.000 0.429 48 V N 5.031 124.787 119.914 -0.263 0.000 2.540 48 V HA 0.856 4.974 4.120 -0.002 0.000 0.302 48 V C -0.042 175.947 176.094 -0.176 0.000 1.035 48 V CA 0.133 62.338 62.300 -0.157 0.000 0.873 48 V CB 2.300 34.080 31.823 -0.073 0.000 0.992 48 V HN 1.096 nan 8.190 nan 0.000 0.428 49 T N 3.983 118.466 114.554 -0.118 0.000 2.863 49 T HA 0.877 5.226 4.350 -0.002 0.000 0.285 49 T C -0.545 174.144 174.700 -0.018 0.000 1.009 49 T CA -0.189 61.820 62.100 -0.152 0.000 0.989 49 T CB 1.763 70.528 68.868 -0.172 0.000 1.004 49 T HN 1.544 nan 8.240 nan 0.000 0.455 50 A N 3.683 126.491 122.820 -0.020 0.000 2.335 50 A HA 0.773 5.091 4.320 -0.002 0.000 0.304 50 A C -0.607 176.920 177.584 -0.095 0.000 1.118 50 A CA -0.887 51.165 52.037 0.024 0.000 0.757 50 A CB 0.606 19.710 19.000 0.172 0.000 1.188 50 A HN 0.924 nan 8.150 nan 0.000 0.460 51 I N 4.836 125.365 120.570 -0.068 0.000 2.439 51 I HA 0.341 4.510 4.170 -0.002 0.000 0.285 51 I C -2.296 173.681 176.117 -0.233 0.000 1.021 51 I CA -2.263 58.978 61.300 -0.099 0.000 1.091 51 I CB 2.733 40.780 38.000 0.079 0.000 1.242 51 I HN 0.470 nan 8.210 nan 0.000 0.439 52 P HA 0.076 nan 4.420 nan 0.000 0.274 52 P C -1.078 176.078 177.300 -0.241 0.000 1.231 52 P CA -0.058 62.588 63.100 -0.756 0.000 0.790 52 P CB 1.298 31.947 31.700 -1.751 0.000 0.951 53 D N 2.742 123.110 120.400 -0.053 0.000 2.375 53 D HA 0.134 4.773 4.640 -0.002 0.000 0.259 53 D C 1.295 177.624 176.300 0.047 0.000 1.235 53 D CA -0.571 53.440 54.000 0.018 0.000 0.924 53 D CB 0.283 41.115 40.800 0.053 0.000 1.143 53 D HN -0.004 nan 8.370 nan 0.000 0.529 54 I N 1.945 122.603 120.570 0.147 0.000 2.163 54 I HA -0.264 3.905 4.170 -0.002 0.000 0.243 54 I C 2.288 178.461 176.117 0.092 0.000 1.085 54 I CA 1.229 62.701 61.300 0.286 0.000 1.347 54 I CB -1.168 36.987 38.000 0.258 0.000 1.044 54 I HN 0.397 nan 8.210 nan 0.000 0.408 55 A N 1.137 123.966 122.820 0.015 0.000 1.858 55 A HA -0.171 4.147 4.320 -0.002 0.000 0.216 55 A C 2.257 179.735 177.584 -0.176 0.000 1.190 55 A CA 1.249 53.262 52.037 -0.041 0.000 0.617 55 A CB -0.561 18.420 19.000 -0.032 0.000 0.827 55 A HN 0.366 nan 8.150 nan 0.000 0.443 56 R N -0.233 120.113 120.500 -0.257 0.000 2.328 56 R HA 0.001 4.339 4.340 -0.002 0.000 0.200 56 R C -0.014 175.763 176.300 -0.872 0.000 0.983 56 R CA 0.619 56.437 56.100 -0.470 0.000 1.062 56 R CB -0.631 29.489 30.300 -0.300 0.000 0.956 56 R HN 0.958 nan 8.270 nan 0.000 0.479 57 H N -0.670 118.086 119.070 -0.523 0.000 2.415 57 H HA -0.197 4.357 4.556 -0.003 0.000 0.323 57 H C -0.611 173.920 175.328 -1.328 0.000 1.035 57 H CA 0.685 56.000 56.048 -1.221 0.000 1.098 57 H CB -2.548 26.599 29.762 -1.026 0.000 1.575 57 H HN 0.290 nan 8.280 nan 0.000 0.387 58 T N -2.319 111.762 114.554 -0.788 0.000 2.864 58 T HA 0.643 4.991 4.350 -0.002 0.000 0.289 58 T C -0.604 174.054 174.700 -0.070 0.000 1.082 58 T CA -0.925 60.966 62.100 -0.348 0.000 1.009 58 T CB 2.474 71.132 68.868 -0.349 0.000 1.234 58 T HN 0.410 nan 8.240 nan 0.000 0.526 59 L N 1.773 122.965 121.223 -0.053 0.000 2.349 59 L HA 0.490 4.828 4.340 -0.002 0.000 0.278 59 L C -0.883 175.874 176.870 -0.189 0.000 0.996 59 L CA -0.493 54.276 54.840 -0.119 0.000 0.825 59 L CB 1.195 43.255 42.059 0.002 0.000 1.243 59 L HN 0.764 nan 8.230 nan 0.000 0.412 60 H N 6.177 125.248 119.070 0.002 0.000 2.580 60 H HA 0.469 5.024 4.556 -0.003 0.000 0.322 60 H C -0.566 174.842 175.328 0.133 0.000 1.082 60 H CA -0.232 55.864 56.048 0.079 0.000 1.383 60 H CB 1.484 31.279 29.762 0.054 0.000 1.450 60 H HN 0.380 nan 8.280 nan 0.000 0.505 61 I N 3.002 123.775 120.570 0.338 0.000 2.465 61 I HA 0.137 4.306 4.170 -0.002 0.000 0.291 61 I C 0.243 176.531 176.117 0.285 0.000 1.014 61 I CA -0.675 60.789 61.300 0.273 0.000 1.093 61 I CB 1.720 39.860 38.000 0.233 0.000 1.267 61 I HN 0.493 nan 8.210 nan 0.000 0.431 62 N N 6.391 125.150 118.700 0.099 0.000 2.321 62 N HA 0.675 5.413 4.740 -0.002 0.000 0.299 62 N C -1.622 173.817 175.510 -0.118 0.000 1.048 62 N CA -0.374 52.557 53.050 -0.199 0.000 0.836 62 N CB 1.768 40.102 38.487 -0.256 0.000 1.269 62 N HN 0.510 nan 8.380 nan 0.000 0.486 63 L N 1.364 122.515 121.223 -0.119 0.000 2.410 63 L HA 0.439 4.777 4.340 -0.002 0.000 0.270 63 L C 0.344 177.186 176.870 -0.047 0.000 0.983 63 L CA -1.041 53.768 54.840 -0.052 0.000 0.822 63 L CB 1.859 43.934 42.059 0.027 0.000 1.285 63 L HN 0.566 nan 8.230 nan 0.000 0.409 64 S N 1.800 117.475 115.700 -0.042 0.000 2.559 64 S HA 0.095 4.563 4.470 -0.002 0.000 0.282 64 S C 1.344 176.005 174.600 0.102 0.000 1.336 64 S CA 0.354 58.602 58.200 0.080 0.000 1.037 64 S CB 1.301 64.581 63.200 0.134 0.000 0.853 64 S HN 0.742 nan 8.310 nan 0.000 0.523 65 A N 3.876 126.780 122.820 0.139 0.000 2.070 65 A HA 0.106 4.425 4.320 -0.002 0.000 0.220 65 A C 2.053 179.698 177.584 0.102 0.000 1.159 65 A CA 1.564 53.660 52.037 0.099 0.000 0.656 65 A CB -1.298 17.756 19.000 0.090 0.000 0.800 65 A HN 1.153 nan 8.150 nan 0.000 0.453 66 G N -1.072 107.807 108.800 0.132 0.000 2.650 66 G HA2 0.123 4.082 3.960 -0.002 0.000 0.214 66 G HA3 0.123 4.082 3.960 -0.002 0.000 0.214 66 G C 1.193 176.179 174.900 0.143 0.000 1.136 66 G CA 0.463 45.659 45.100 0.159 0.000 0.789 66 G HN 0.441 nan 8.290 nan 0.000 0.536 67 L N 0.138 121.402 121.223 0.068 0.000 2.585 67 L HA 0.150 4.488 4.340 -0.002 0.000 0.226 67 L C 2.190 179.012 176.870 -0.080 0.000 1.113 67 L CA 0.054 54.892 54.840 -0.003 0.000 0.876 67 L CB -0.091 41.961 42.059 -0.011 0.000 1.072 67 L HN 0.206 nan 8.230 nan 0.000 0.468 68 E N 1.089 121.268 120.200 -0.036 0.000 2.086 68 E HA -0.237 4.111 4.350 -0.002 0.000 0.200 68 E C -0.542 175.988 176.600 -0.117 0.000 1.012 68 E CA 1.472 57.855 56.400 -0.028 0.000 0.812 68 E CB -1.430 28.283 29.700 0.022 0.000 0.743 68 E HN 0.481 nan 8.360 nan 0.000 0.453 69 P HA -0.075 nan 4.420 nan 0.000 0.226 69 P C 1.105 178.193 177.300 -0.353 0.000 1.153 69 P CA 0.967 63.875 63.100 -0.319 0.000 0.777 69 P CB 0.051 31.419 31.700 -0.554 0.000 0.794 70 V N -5.552 114.144 119.914 -0.363 0.000 2.988 70 V HA 0.573 4.691 4.120 -0.002 0.000 0.356 70 V C 1.689 177.676 176.094 -0.180 0.000 1.380 70 V CA 0.079 62.229 62.300 -0.251 0.000 1.184 70 V CB -0.619 31.064 31.823 -0.234 0.000 1.204 70 V HN -0.071 nan 8.190 nan 0.000 0.530 71 A N 1.687 124.388 122.820 -0.198 0.000 1.903 71 A HA -0.130 4.188 4.320 -0.002 0.000 0.219 71 A C 2.507 179.937 177.584 -0.257 0.000 1.191 71 A CA 2.858 54.723 52.037 -0.286 0.000 0.638 71 A CB -0.952 17.811 19.000 -0.394 0.000 0.823 71 A HN 1.212 nan 8.150 nan 0.000 0.451 72 A N -0.746 121.971 122.820 -0.172 0.000 1.927 72 A HA -0.247 4.071 4.320 -0.002 0.000 0.220 72 A C 2.012 179.545 177.584 -0.085 0.000 1.185 72 A CA 2.460 54.430 52.037 -0.111 0.000 0.639 72 A CB -0.513 18.450 19.000 -0.062 0.000 0.820 72 A HN 0.553 nan 8.150 nan 0.000 0.451 73 E N -0.602 119.552 120.200 -0.077 0.000 2.112 73 E HA -0.087 4.262 4.350 -0.002 0.000 0.190 73 E C 1.918 178.490 176.600 -0.046 0.000 0.979 73 E CA 1.210 57.583 56.400 -0.045 0.000 0.814 73 E CB -0.687 28.997 29.700 -0.026 0.000 0.762 73 E HN 0.606 nan 8.360 nan 0.000 0.460 74 C N 0.222 119.477 119.300 -0.075 0.000 2.413 74 C HA -0.108 4.351 4.460 -0.002 0.000 0.276 74 C C 2.564 177.520 174.990 -0.056 0.000 1.248 74 C CA 0.681 59.658 59.018 -0.069 0.000 1.742 74 C CB -1.212 26.464 27.740 -0.106 0.000 2.017 74 C HN 0.417 nan 8.230 nan 0.000 0.481 75 L N 1.001 122.169 121.223 -0.092 0.000 2.191 75 L HA -0.121 4.218 4.340 -0.002 0.000 0.212 75 L C 2.757 179.633 176.870 0.010 0.000 1.103 75 L CA 1.332 56.145 54.840 -0.045 0.000 0.769 75 L CB -0.577 41.433 42.059 -0.082 0.000 0.908 75 L HN 0.362 nan 8.230 nan 0.000 0.438 76 A N -0.215 122.604 122.820 -0.002 0.000 2.016 76 A HA -0.107 4.211 4.320 -0.002 0.000 0.217 76 A C 2.307 179.902 177.584 0.019 0.000 1.162 76 A CA 0.922 52.968 52.037 0.016 0.000 0.662 76 A CB -0.110 18.895 19.000 0.007 0.000 0.812 76 A HN 0.278 nan 8.150 nan 0.000 0.450 77 K N -0.814 119.590 120.400 0.007 0.000 2.031 77 K HA -0.037 4.282 4.320 -0.002 0.000 0.205 77 K C 1.954 178.554 176.600 -0.001 0.000 1.049 77 K CA 1.288 57.573 56.287 -0.003 0.000 0.939 77 K CB -0.283 32.212 32.500 -0.007 0.000 0.717 77 K HN 0.286 nan 8.250 nan 0.000 0.438 78 M N 1.130 120.756 119.600 0.043 0.000 2.108 78 M HA -0.144 4.335 4.480 -0.002 0.000 0.261 78 M C 2.230 178.637 176.300 0.179 0.000 1.066 78 M CA 1.560 56.936 55.300 0.127 0.000 1.107 78 M CB -1.082 31.640 32.600 0.203 0.000 1.356 78 M HN 0.010 nan 8.290 nan 0.000 0.406 79 S N -0.195 115.587 115.700 0.138 0.000 2.356 79 S HA -0.107 4.362 4.470 -0.002 0.000 0.223 79 S C 2.013 176.675 174.600 0.104 0.000 1.032 79 S CA 1.129 59.419 58.200 0.150 0.000 1.005 79 S CB -0.169 63.096 63.200 0.109 0.000 0.867 79 S HN 0.440 nan 8.310 nan 0.000 0.449 80 R N 0.229 120.751 120.500 0.036 0.000 2.090 80 R HA 0.023 4.362 4.340 -0.002 0.000 0.228 80 R C 2.340 178.591 176.300 -0.081 0.000 1.110 80 R CA 0.889 56.982 56.100 -0.011 0.000 0.973 80 R CB -0.463 29.824 30.300 -0.021 0.000 0.869 80 R HN 0.302 nan 8.270 nan 0.000 0.440 81 L N -0.130 121.006 121.223 -0.146 0.000 2.046 81 L HA -0.089 4.249 4.340 -0.002 0.000 0.208 81 L C 1.386 178.010 176.870 -0.410 0.000 1.077 81 L CA 1.866 56.495 54.840 -0.352 0.000 0.747 81 L CB -0.350 41.380 42.059 -0.547 0.000 0.896 81 L HN -0.013 nan 8.230 nan 0.000 0.432 82 F N -0.116 119.815 119.950 -0.032 0.000 2.776 82 F HA 0.194 4.720 4.527 -0.001 0.000 0.300 82 F C 0.850 176.653 175.800 0.004 0.000 1.116 82 F CA 0.165 58.164 58.000 -0.001 0.000 1.375 82 F CB -0.387 38.681 39.000 0.114 0.000 1.109 82 F HN 0.181 nan 8.300 nan 0.000 0.585 83 D N 0.411 120.887 120.400 0.127 0.000 2.716 83 D HA -0.198 4.441 4.640 -0.002 0.000 0.239 83 D C 0.909 177.294 176.300 0.142 0.000 1.125 83 D CA 0.321 54.370 54.000 0.083 0.000 0.681 83 D CB -1.210 39.591 40.800 0.002 0.000 1.070 83 D HN 0.288 nan 8.370 nan 0.000 0.432 84 L N -0.399 120.944 121.223 0.200 0.000 2.156 84 L HA -0.091 4.248 4.340 -0.002 0.000 0.208 84 L C 2.086 179.072 176.870 0.193 0.000 1.095 84 L CA 0.829 55.818 54.840 0.248 0.000 0.770 84 L CB -0.158 42.063 42.059 0.269 0.000 0.914 84 L HN 0.084 nan 8.230 nan 0.000 0.439 85 Q N -0.677 119.205 119.800 0.136 0.000 2.444 85 Q HA 0.018 4.357 4.340 -0.002 0.000 0.206 85 Q C 0.605 176.647 176.000 0.070 0.000 0.948 85 Q CA 0.039 55.904 55.803 0.104 0.000 0.946 85 Q CB -0.317 28.476 28.738 0.092 0.000 1.027 85 Q HN 0.426 nan 8.270 nan 0.000 0.513 86 C N 1.525 120.855 119.300 0.050 0.000 2.657 86 C HA 0.140 4.599 4.460 -0.002 0.000 0.420 86 C C 0.540 175.465 174.990 -0.110 0.000 1.323 86 C CA -0.491 58.499 59.018 -0.046 0.000 1.894 86 C CB -0.187 27.489 27.740 -0.106 0.000 2.681 86 C HN 0.390 nan 8.230 nan 0.000 0.613 87 N N 6.209 124.779 118.700 -0.215 0.000 2.817 87 N HA 0.295 5.034 4.740 -0.002 0.000 0.234 87 N C -1.199 174.099 175.510 -0.353 0.000 1.066 87 N CA -1.956 50.962 53.050 -0.220 0.000 0.926 87 N CB 1.060 39.444 38.487 -0.171 0.000 1.176 87 N HN 0.553 nan 8.380 nan 0.000 0.506 88 P HA -0.200 nan 4.420 nan 0.000 0.217 88 P C 0.821 177.921 177.300 -0.335 0.000 1.151 88 P CA 1.369 64.251 63.100 -0.363 0.000 0.849 88 P CB 0.651 32.210 31.700 -0.236 0.000 0.787 89 Q N -0.374 119.282 119.800 -0.240 0.000 2.046 89 Q HA -0.064 4.274 4.340 -0.002 0.000 0.200 89 Q C 2.458 178.314 176.000 -0.240 0.000 0.975 89 Q CA 1.181 56.864 55.803 -0.199 0.000 0.836 89 Q CB -1.057 27.603 28.738 -0.129 0.000 0.896 89 Q HN 0.252 nan 8.270 nan 0.000 0.428 90 I N -0.620 119.787 120.570 -0.272 0.000 2.163 90 I HA -0.303 3.865 4.170 -0.002 0.000 0.243 90 I C 1.928 177.747 176.117 -0.496 0.000 1.085 90 I CA 0.904 62.032 61.300 -0.286 0.000 1.347 90 I CB -0.168 37.699 38.000 -0.222 0.000 1.044 90 I HN 0.075 nan 8.210 nan 0.000 0.408 91 V N 1.054 120.474 119.914 -0.824 0.000 2.237 91 V HA -0.301 3.818 4.120 -0.002 0.000 0.245 91 V C 2.084 177.829 176.094 -0.582 0.000 1.046 91 V CA 2.131 63.800 62.300 -1.052 0.000 1.007 91 V CB -0.750 30.337 31.823 -1.227 0.000 0.638 91 V HN 0.449 nan 8.190 nan 0.000 0.445 92 N N 0.629 119.049 118.700 -0.468 0.000 2.289 92 N HA -0.114 4.625 4.740 -0.002 0.000 0.184 92 N C 1.731 177.105 175.510 -0.227 0.000 1.016 92 N CA 1.457 54.303 53.050 -0.340 0.000 0.872 92 N CB -0.626 37.697 38.487 -0.272 0.000 0.973 92 N HN 0.544 nan 8.380 nan 0.000 0.433 93 G N 0.214 108.898 108.800 -0.193 0.000 2.394 93 G HA2 -0.097 3.861 3.960 -0.002 0.000 0.215 93 G HA3 -0.097 3.861 3.960 -0.002 0.000 0.215 93 G C 1.532 176.397 174.900 -0.058 0.000 1.165 93 G CA 0.842 45.879 45.100 -0.105 0.000 0.784 93 G HN 0.409 nan 8.290 nan 0.000 0.535 94 A N 0.079 122.860 122.820 -0.064 0.000 2.119 94 A HA 0.279 4.597 4.320 -0.002 0.000 0.217 94 A C 2.277 179.925 177.584 0.107 0.000 1.153 94 A CA 0.686 52.762 52.037 0.065 0.000 0.692 94 A CB -0.198 18.919 19.000 0.195 0.000 0.799 94 A HN 0.363 nan 8.150 nan 0.000 0.458 95 L N -1.850 119.344 121.223 -0.048 0.000 2.307 95 L HA 0.202 4.540 4.340 -0.002 0.000 0.211 95 L C 1.927 178.802 176.870 0.010 0.000 1.099 95 L CA 0.482 55.255 54.840 -0.112 0.000 0.816 95 L CB -0.697 41.101 42.059 -0.434 0.000 0.952 95 L HN 0.591 nan 8.230 nan 0.000 0.455 96 G N 0.793 109.591 108.800 -0.003 0.000 2.561 96 G HA2 -0.446 3.512 3.960 -0.002 0.000 0.289 96 G HA3 -0.446 3.512 3.960 -0.002 0.000 0.289 96 G C 0.886 175.808 174.900 0.036 0.000 1.169 96 G CA 0.682 45.809 45.100 0.046 0.000 0.980 96 G HN 0.294 nan 8.290 nan 0.000 0.550 97 R N -0.005 120.571 120.500 0.127 0.000 2.120 97 R HA 0.039 4.378 4.340 -0.002 0.000 0.234 97 R C 2.724 179.122 176.300 0.163 0.000 1.123 97 R CA 1.980 58.175 56.100 0.158 0.000 0.975 97 R CB -0.388 30.049 30.300 0.229 0.000 0.866 97 R HN 0.566 nan 8.270 nan 0.000 0.446 98 L N 0.154 121.446 121.223 0.115 0.000 2.131 98 L HA -0.007 4.331 4.340 -0.002 0.000 0.210 98 L C 1.844 178.489 176.870 -0.374 0.000 1.092 98 L CA 2.233 56.956 54.840 -0.194 0.000 0.759 98 L CB -0.740 41.006 42.059 -0.521 0.000 0.903 98 L HN 0.259 nan 8.230 nan 0.000 0.435 99 G N -1.979 106.587 108.800 -0.390 0.000 2.744 99 G HA2 0.062 4.020 3.960 -0.002 0.000 0.211 99 G HA3 0.062 4.020 3.960 -0.002 0.000 0.211 99 G C 1.564 176.386 174.900 -0.129 0.000 1.146 99 G CA 0.427 45.226 45.100 -0.502 0.000 0.787 99 G HN 0.564 nan 8.290 nan 0.000 0.534 100 A N 1.217 124.004 122.820 -0.055 0.000 1.978 100 A HA 0.195 4.513 4.320 -0.002 0.000 0.220 100 A C 2.681 180.274 177.584 0.016 0.000 1.170 100 A CA 2.291 54.324 52.037 -0.007 0.000 0.636 100 A CB -0.491 18.524 19.000 0.025 0.000 0.810 100 A HN 0.637 nan 8.150 nan 0.000 0.448 101 A N -0.964 121.882 122.820 0.044 0.000 1.878 101 A HA 0.124 4.443 4.320 -0.002 0.000 0.213 101 A C 1.662 179.244 177.584 -0.004 0.000 1.192 101 A CA 0.812 52.872 52.037 0.037 0.000 0.619 101 A CB -0.002 19.037 19.000 0.065 0.000 0.837 101 A HN 0.405 nan 8.150 nan 0.000 0.446 102 R N -0.289 120.199 120.500 -0.021 0.000 2.748 102 R HA 0.208 4.547 4.340 -0.002 0.000 0.283 102 R C -2.211 174.008 176.300 -0.134 0.000 1.507 102 R CA -1.456 54.553 56.100 -0.151 0.000 1.666 102 R CB 0.931 31.026 30.300 -0.342 0.000 1.237 102 R HN 0.319 nan 8.270 nan 0.000 0.633 103 P HA -0.100 nan 4.420 nan 0.000 0.225 103 P C 1.084 178.267 177.300 -0.195 0.000 1.148 103 P CA 1.021 64.071 63.100 -0.083 0.000 0.779 103 P CB 0.362 32.012 31.700 -0.083 0.000 0.780 104 G N -0.316 108.342 108.800 -0.236 0.000 2.920 104 G HA2 0.037 3.996 3.960 -0.002 0.000 0.208 104 G HA3 0.037 3.996 3.960 -0.002 0.000 0.208 104 G C 0.638 175.223 174.900 -0.526 0.000 1.159 104 G CA -0.240 44.675 45.100 -0.309 0.000 0.784 104 G HN 0.216 nan 8.290 nan 0.000 0.535 105 L N 1.138 121.992 121.223 -0.616 0.000 2.453 105 L HA 0.316 4.655 4.340 -0.002 0.000 0.272 105 L C 0.560 177.071 176.870 -0.599 0.000 1.182 105 L CA -0.135 54.188 54.840 -0.861 0.000 0.858 105 L CB 0.613 42.004 42.059 -1.113 0.000 1.120 105 L HN 0.101 nan 8.230 nan 0.000 0.474 106 R N 2.289 122.476 120.500 -0.522 0.000 2.950 106 R HA 0.522 4.860 4.340 -0.002 0.000 0.253 106 R C -1.157 175.068 176.300 -0.125 0.000 1.168 106 R CA -1.167 54.760 56.100 -0.288 0.000 1.014 106 R CB 1.175 31.137 30.300 -0.563 0.000 1.228 106 R HN 0.297 nan 8.270 nan 0.000 0.487 107 L N 3.813 124.967 121.223 -0.115 0.000 2.270 107 L HA 0.359 4.697 4.340 -0.002 0.000 0.286 107 L C -2.220 174.510 176.870 -0.233 0.000 1.059 107 L CA -1.670 53.018 54.840 -0.255 0.000 0.839 107 L CB 0.860 42.678 42.059 -0.402 0.000 1.221 107 L HN 0.245 nan 8.230 nan 0.000 0.431 108 P HA 0.211 nan 4.420 nan 0.000 0.270 108 P C 0.111 177.246 177.300 -0.276 0.000 1.242 108 P CA -0.030 62.864 63.100 -0.343 0.000 0.768 108 P CB 0.947 32.262 31.700 -0.642 0.000 0.820 109 G N 2.279 110.923 108.800 -0.260 0.000 3.022 109 G HA2 0.560 4.519 3.960 -0.002 0.000 0.157 109 G HA3 0.560 4.519 3.960 -0.002 0.000 0.157 109 G C -0.389 174.366 174.900 -0.241 0.000 1.468 109 G CA -0.105 44.850 45.100 -0.242 0.000 1.058 109 G HN 0.700 nan 8.290 nan 0.000 0.581 110 C N -3.901 115.269 119.300 -0.217 0.000 3.314 110 C HA 0.686 5.145 4.460 -0.002 0.000 0.344 110 C C 0.748 175.649 174.990 -0.147 0.000 1.461 110 C CA -0.372 58.531 59.018 -0.191 0.000 1.249 110 C CB 1.128 28.754 27.740 -0.189 0.000 1.632 110 C HN 0.516 nan 8.230 nan 0.000 0.452 111 V N 1.000 120.843 119.914 -0.118 0.000 3.661 111 V HA 0.339 4.458 4.120 -0.002 0.000 0.271 111 V C 0.005 176.075 176.094 -0.040 0.000 1.315 111 V CA 1.732 63.990 62.300 -0.070 0.000 1.072 111 V CB -0.204 31.589 31.823 -0.050 0.000 0.830 111 V HN 0.941 nan 8.190 nan 0.000 0.443 112 D N -1.333 119.033 120.400 -0.055 0.000 2.871 112 D HA 0.291 4.929 4.640 -0.002 0.000 0.209 112 D C 0.546 176.860 176.300 0.023 0.000 1.292 112 D CA 0.435 54.436 54.000 0.003 0.000 0.869 112 D CB 2.289 43.093 40.800 0.007 0.000 1.663 112 D HN -0.020 nan 8.370 nan 0.000 0.557 113 A N 3.516 126.414 122.820 0.130 0.000 1.930 113 A HA -0.104 4.214 4.320 -0.002 0.000 0.217 113 A C 1.698 179.513 177.584 0.385 0.000 1.175 113 A CA 0.986 53.164 52.037 0.234 0.000 0.627 113 A CB -0.488 18.728 19.000 0.360 0.000 0.815 113 A HN 0.561 nan 8.150 nan 0.000 0.443 114 F N 1.015 121.057 119.950 0.154 0.000 2.060 114 F HA -0.113 4.423 4.527 0.014 0.000 0.295 114 F C 2.177 178.015 175.800 0.065 0.000 1.120 114 F CA 1.863 59.935 58.000 0.121 0.000 1.205 114 F CB -0.826 38.239 39.000 0.108 0.000 0.986 114 F HN 0.471 nan 8.300 nan 0.000 0.470 115 E N -0.151 119.864 120.200 -0.307 0.000 2.108 115 E HA -0.407 3.941 4.350 -0.002 0.000 0.203 115 E C 2.242 178.533 176.600 -0.516 0.000 1.022 115 E CA 1.919 57.824 56.400 -0.825 0.000 0.823 115 E CB -0.441 28.638 29.700 -1.036 0.000 0.744 115 E HN 0.468 nan 8.360 nan 0.000 0.456 116 Q N 0.159 119.831 119.800 -0.213 0.000 2.096 116 Q HA -0.115 4.224 4.340 -0.002 0.000 0.204 116 Q C 2.024 178.113 176.000 0.148 0.000 0.982 116 Q CA 2.188 57.969 55.803 -0.036 0.000 0.850 116 Q CB -0.983 27.723 28.738 -0.054 0.000 0.901 116 Q HN 0.428 nan 8.270 nan 0.000 0.422 117 G N -0.591 108.330 108.800 0.202 0.000 2.446 117 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.217 117 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.217 117 G C 1.482 176.345 174.900 -0.062 0.000 1.168 117 G CA 1.230 46.291 45.100 -0.065 0.000 0.771 117 G HN 0.317 nan 8.290 nan 0.000 0.551 118 V N 0.799 120.617 119.914 -0.159 0.000 2.250 118 V HA -0.287 3.831 4.120 -0.002 0.000 0.250 118 V C 2.912 179.041 176.094 0.059 0.000 1.060 118 V CA 2.442 64.706 62.300 -0.061 0.000 1.030 118 V CB -0.620 31.188 31.823 -0.025 0.000 0.643 118 V HN 0.322 nan 8.190 nan 0.000 0.445 119 R N -0.024 120.513 120.500 0.062 0.000 2.082 119 R HA -0.163 4.176 4.340 -0.002 0.000 0.234 119 R C 2.517 178.911 176.300 0.156 0.000 1.136 119 R CA 1.668 57.834 56.100 0.110 0.000 0.935 119 R CB -0.872 29.471 30.300 0.073 0.000 0.842 119 R HN 0.529 nan 8.270 nan 0.000 0.430 120 A N 0.971 123.911 122.820 0.200 0.000 1.958 120 A HA -0.227 4.092 4.320 -0.002 0.000 0.221 120 A C 2.135 179.859 177.584 0.232 0.000 1.178 120 A CA 1.671 53.892 52.037 0.306 0.000 0.642 120 A CB -0.653 18.547 19.000 0.333 0.000 0.816 120 A HN 0.267 nan 8.150 nan 0.000 0.453 121 I N -0.919 119.738 120.570 0.145 0.000 2.162 121 I HA -0.196 3.972 4.170 -0.002 0.000 0.238 121 I C 2.353 178.525 176.117 0.092 0.000 1.076 121 I CA 1.063 62.431 61.300 0.113 0.000 1.353 121 I CB -0.406 37.645 38.000 0.084 0.000 1.063 121 I HN 0.254 nan 8.210 nan 0.000 0.408 122 L N 0.605 121.879 121.223 0.085 0.000 2.129 122 L HA -0.168 4.170 4.340 -0.002 0.000 0.212 122 L C 2.067 178.968 176.870 0.051 0.000 1.087 122 L CA 1.408 56.287 54.840 0.065 0.000 0.757 122 L CB -0.863 41.239 42.059 0.073 0.000 0.896 122 L HN 0.356 nan 8.230 nan 0.000 0.434 123 G N -1.592 107.251 108.800 0.071 0.000 3.440 123 G HA2 0.006 3.965 3.960 -0.002 0.000 0.263 123 G HA3 0.006 3.965 3.960 -0.002 0.000 0.263 123 G C 1.126 176.026 174.900 0.001 0.000 1.236 123 G CA -0.267 44.856 45.100 0.039 0.000 0.927 123 G HN 0.281 nan 8.290 nan 0.000 0.530 124 Q N -0.377 119.426 119.800 0.005 0.000 1.990 124 Q HA 0.119 4.458 4.340 -0.002 0.000 0.200 124 Q C 1.839 177.750 176.000 -0.149 0.000 0.980 124 Q CA 1.168 56.949 55.803 -0.037 0.000 0.832 124 Q CB -0.046 28.697 28.738 0.009 0.000 0.897 124 Q HN 0.482 nan 8.270 nan 0.000 0.427 125 L N 0.008 121.164 121.223 -0.112 0.000 2.858 125 L HA 0.281 4.619 4.340 -0.002 0.000 0.251 125 L C -0.229 176.570 176.870 -0.118 0.000 1.149 125 L CA -0.547 54.212 54.840 -0.136 0.000 0.955 125 L CB 1.411 43.412 42.059 -0.097 0.000 1.289 125 L HN 0.053 nan 8.230 nan 0.000 0.542 126 V N -3.358 116.497 119.914 -0.099 0.000 2.850 126 V HA 0.629 4.748 4.120 -0.002 0.000 0.315 126 V C 0.664 176.699 176.094 -0.097 0.000 1.064 126 V CA -0.910 61.340 62.300 -0.082 0.000 0.979 126 V CB 1.500 33.291 31.823 -0.053 0.000 1.039 126 V HN 0.238 nan 8.190 nan 0.000 0.452 127 S N 1.587 117.235 115.700 -0.087 0.000 2.563 127 S HA 0.074 4.543 4.470 -0.002 0.000 0.269 127 S C 1.123 175.670 174.600 -0.088 0.000 1.364 127 S CA 0.279 58.423 58.200 -0.093 0.000 1.010 127 S CB 0.857 64.013 63.200 -0.075 0.000 0.877 127 S HN 1.051 nan 8.310 nan 0.000 0.549 128 V N 2.333 122.186 119.914 -0.102 0.000 2.282 128 V HA -0.223 3.896 4.120 -0.002 0.000 0.249 128 V C 2.941 178.991 176.094 -0.074 0.000 1.057 128 V CA 2.502 64.742 62.300 -0.101 0.000 1.032 128 V CB -1.845 29.898 31.823 -0.134 0.000 0.645 128 V HN 1.031 nan 8.190 nan 0.000 0.447 129 A N -1.242 121.539 122.820 -0.065 0.000 1.929 129 A HA -0.177 4.142 4.320 -0.002 0.000 0.216 129 A C 2.105 179.669 177.584 -0.034 0.000 1.176 129 A CA 1.960 53.969 52.037 -0.047 0.000 0.628 129 A CB -0.481 18.493 19.000 -0.042 0.000 0.816 129 A HN 0.433 nan 8.150 nan 0.000 0.444 130 M N 0.286 119.864 119.600 -0.037 0.000 2.117 130 M HA 0.001 4.479 4.480 -0.002 0.000 0.262 130 M C 2.186 178.475 176.300 -0.019 0.000 1.065 130 M CA 1.438 56.721 55.300 -0.028 0.000 1.114 130 M CB -0.779 31.800 32.600 -0.034 0.000 1.361 130 M HN 0.393 nan 8.290 nan 0.000 0.408 131 A N -0.656 122.152 122.820 -0.020 0.000 1.972 131 A HA 0.015 4.334 4.320 -0.002 0.000 0.219 131 A C 2.301 179.895 177.584 0.015 0.000 1.169 131 A CA 1.955 53.992 52.037 -0.000 0.000 0.635 131 A CB -1.211 17.789 19.000 0.001 0.000 0.810 131 A HN 0.582 nan 8.150 nan 0.000 0.446 132 A N -0.192 122.631 122.820 0.005 0.000 1.929 132 A HA -0.059 4.260 4.320 -0.002 0.000 0.216 132 A C 2.082 179.676 177.584 0.017 0.000 1.176 132 A CA 1.435 53.482 52.037 0.018 0.000 0.628 132 A CB -0.231 18.771 19.000 0.004 0.000 0.816 132 A HN 0.415 nan 8.150 nan 0.000 0.444 133 K N -0.343 120.059 120.400 0.004 0.000 2.025 133 K HA -0.081 4.237 4.320 -0.002 0.000 0.207 133 K C 1.890 178.490 176.600 0.000 0.000 1.049 133 K CA 1.083 57.369 56.287 -0.001 0.000 0.933 133 K CB -0.966 31.529 32.500 -0.008 0.000 0.714 133 K HN 0.402 nan 8.250 nan 0.000 0.438 134 L N 2.160 123.384 121.223 0.003 0.000 1.990 134 L HA -0.186 4.152 4.340 -0.002 0.000 0.213 134 L C 2.031 178.906 176.870 0.009 0.000 1.072 134 L CA 2.108 56.951 54.840 0.005 0.000 0.755 134 L CB -1.303 40.762 42.059 0.010 0.000 0.889 134 L HN 0.177 nan 8.230 nan 0.000 0.432 135 T N -0.004 114.566 114.554 0.027 0.000 2.833 135 T HA -0.123 4.226 4.350 -0.002 0.000 0.269 135 T C 1.916 176.619 174.700 0.005 0.000 1.054 135 T CA 1.176 63.299 62.100 0.038 0.000 1.135 135 T CB -0.574 68.363 68.868 0.114 0.000 0.869 135 T HN 0.550 nan 8.240 nan 0.000 0.466 136 A N 2.079 124.906 122.820 0.011 0.000 1.865 136 A HA -0.149 4.170 4.320 -0.002 0.000 0.217 136 A C 2.412 179.976 177.584 -0.034 0.000 1.191 136 A CA 1.439 53.475 52.037 -0.003 0.000 0.623 136 A CB -0.531 18.471 19.000 0.002 0.000 0.826 136 A HN 0.388 nan 8.150 nan 0.000 0.444 137 R N -0.743 119.736 120.500 -0.035 0.000 2.081 137 R HA -0.098 4.240 4.340 -0.002 0.000 0.235 137 R C 2.107 178.356 176.300 -0.085 0.000 1.131 137 R CA 1.493 57.560 56.100 -0.055 0.000 0.960 137 R CB -0.683 29.593 30.300 -0.042 0.000 0.856 137 R HN 0.408 nan 8.270 nan 0.000 0.436 138 V N 1.094 120.969 119.914 -0.065 0.000 2.233 138 V HA -0.297 3.822 4.120 -0.002 0.000 0.247 138 V C 2.503 178.528 176.094 -0.115 0.000 1.050 138 V CA 2.124 64.388 62.300 -0.059 0.000 1.010 138 V CB -0.837 30.972 31.823 -0.024 0.000 0.637 138 V HN 0.439 nan 8.190 nan 0.000 0.444 139 A N -0.532 122.191 122.820 -0.162 0.000 1.908 139 A HA -0.340 3.979 4.320 -0.002 0.000 0.218 139 A C 2.191 179.708 177.584 -0.112 0.000 1.181 139 A CA 2.332 54.259 52.037 -0.183 0.000 0.627 139 A CB -0.654 18.244 19.000 -0.171 0.000 0.818 139 A HN 0.607 nan 8.150 nan 0.000 0.445 140 Q N -0.816 118.923 119.800 -0.101 0.000 2.112 140 Q HA -0.201 4.137 4.340 -0.002 0.000 0.206 140 Q C 1.811 177.722 176.000 -0.148 0.000 0.987 140 Q CA 2.081 57.827 55.803 -0.095 0.000 0.858 140 Q CB -0.405 28.283 28.738 -0.085 0.000 0.905 140 Q HN 0.511 nan 8.270 nan 0.000 0.420 141 L N -1.123 119.949 121.223 -0.252 0.000 2.034 141 L HA -0.049 4.289 4.340 -0.002 0.000 0.203 141 L C 1.328 177.924 176.870 -0.457 0.000 1.074 141 L CA 1.775 56.342 54.840 -0.456 0.000 0.748 141 L CB -0.477 41.116 42.059 -0.776 0.000 0.905 141 L HN 0.345 nan 8.230 nan 0.000 0.439 142 Y N -0.674 119.591 120.300 -0.059 0.000 2.468 142 Y HA 0.444 4.995 4.550 0.001 0.000 0.268 142 Y C 1.269 177.139 175.900 -0.050 0.000 1.177 142 Y CA -0.357 57.714 58.100 -0.048 0.000 1.265 142 Y CB -0.761 37.669 38.460 -0.050 0.000 1.103 142 Y HN 0.108 nan 8.280 nan 0.000 0.522 143 G N 1.041 109.856 108.800 0.026 0.000 2.415 143 G HA2 0.239 4.198 3.960 -0.002 0.000 0.269 143 G HA3 0.239 4.198 3.960 -0.002 0.000 0.269 143 G C -0.677 174.250 174.900 0.046 0.000 1.209 143 G CA -0.532 44.582 45.100 0.023 0.000 0.835 143 G HN 0.235 nan 8.290 nan 0.000 0.534 144 E N 2.262 122.503 120.200 0.069 0.000 2.229 144 E HA 0.184 4.532 4.350 -0.002 0.000 0.283 144 E C 0.234 176.880 176.600 0.077 0.000 1.030 144 E CA -0.565 55.877 56.400 0.069 0.000 0.836 144 E CB 0.778 30.523 29.700 0.076 0.000 1.068 144 E HN 0.398 nan 8.360 nan 0.000 0.401 145 R N 3.184 123.724 120.500 0.067 0.000 2.707 145 R HA 0.281 4.620 4.340 -0.002 0.000 0.270 145 R C 0.055 176.415 176.300 0.101 0.000 1.083 145 R CA -0.373 55.777 56.100 0.083 0.000 1.182 145 R CB 0.488 30.824 30.300 0.060 0.000 1.084 145 R HN 0.540 nan 8.270 nan 0.000 0.528 146 L N 1.670 122.976 121.223 0.138 0.000 2.289 146 L HA 0.099 4.438 4.340 -0.002 0.000 0.285 146 L C 0.627 177.566 176.870 0.116 0.000 1.049 146 L CA -0.344 54.591 54.840 0.158 0.000 0.804 146 L CB 1.422 43.636 42.059 0.258 0.000 1.195 146 L HN 0.551 nan 8.230 nan 0.000 0.428 147 D N 0.625 121.074 120.400 0.082 0.000 2.219 147 D HA -0.155 4.484 4.640 -0.002 0.000 0.205 147 D C 1.206 177.497 176.300 -0.015 0.000 0.970 147 D CA 1.148 55.167 54.000 0.033 0.000 0.851 147 D CB 0.198 41.014 40.800 0.026 0.000 0.943 147 D HN 0.610 nan 8.370 nan 0.000 0.488 148 D N -1.261 119.125 120.400 -0.023 0.000 2.423 148 D HA -0.040 4.598 4.640 -0.002 0.000 0.208 148 D C -0.085 175.869 176.300 -0.577 0.000 1.068 148 D CA -0.038 53.808 54.000 -0.257 0.000 0.860 148 D CB -0.200 40.458 40.800 -0.237 0.000 0.992 148 D HN 0.133 nan 8.370 nan 0.000 0.504 149 F N 0.377 120.382 119.950 0.092 0.000 2.769 149 F HA 0.356 4.881 4.527 -0.003 0.000 0.358 149 F C -1.960 173.910 175.800 0.116 0.000 1.285 149 F CA -2.062 56.016 58.000 0.130 0.000 1.199 149 F CB 2.157 41.294 39.000 0.228 0.000 1.558 149 F HN -0.284 nan 8.300 nan 0.000 0.583 150 P HA -0.208 nan 4.420 nan 0.000 0.217 150 P C 1.092 178.431 177.300 0.065 0.000 1.148 150 P CA 1.579 64.730 63.100 0.086 0.000 0.828 150 P CB 0.292 32.011 31.700 0.032 0.000 0.783 151 E N -2.034 118.186 120.200 0.034 0.000 2.160 151 E HA -0.163 4.186 4.350 -0.002 0.000 0.195 151 E C 0.239 176.738 176.600 -0.168 0.000 0.991 151 E CA 1.087 57.413 56.400 -0.122 0.000 0.810 151 E CB -0.918 28.628 29.700 -0.257 0.000 0.742 151 E HN 0.387 nan 8.360 nan 0.000 0.466 152 Y N 0.103 120.461 120.300 0.097 0.000 2.334 152 Y HA 0.401 4.949 4.550 -0.002 0.000 0.328 152 Y C 0.528 176.470 175.900 0.069 0.000 1.130 152 Y CA -1.359 56.783 58.100 0.069 0.000 1.163 152 Y CB 0.976 39.470 38.460 0.057 0.000 1.207 152 Y HN -0.079 nan 8.280 nan 0.000 0.471 153 I N -0.719 119.995 120.570 0.239 0.000 2.689 153 I HA 0.636 4.805 4.170 -0.002 0.000 0.299 153 I C -1.062 175.149 176.117 0.156 0.000 1.059 153 I CA -0.955 60.439 61.300 0.157 0.000 1.055 153 I CB 1.689 39.744 38.000 0.092 0.000 1.243 153 I HN 0.430 nan 8.210 nan 0.000 0.425 154 C N 3.943 123.325 119.300 0.136 0.000 2.601 154 C HA 0.314 4.773 4.460 -0.002 0.000 0.409 154 C C 0.449 175.546 174.990 0.178 0.000 1.293 154 C CA -0.180 58.931 59.018 0.154 0.000 2.101 154 C CB -0.154 27.671 27.740 0.141 0.000 2.639 154 C HN 0.663 nan 8.230 nan 0.000 0.592 155 F N 4.310 124.301 119.950 0.068 0.000 2.629 155 F HA 0.166 4.689 4.527 -0.006 0.000 0.377 155 F C -1.601 174.257 175.800 0.096 0.000 1.101 155 F CA -0.843 57.196 58.000 0.065 0.000 1.301 155 F CB 0.261 39.283 39.000 0.037 0.000 1.062 155 F HN 0.462 nan 8.300 nan 0.000 0.583 156 P HA 0.039 nan 4.420 nan 0.000 0.265 156 P C -0.564 176.900 177.300 0.273 0.000 1.193 156 P CA -0.091 63.037 63.100 0.047 0.000 0.765 156 P CB 0.277 31.950 31.700 -0.046 0.000 0.823 157 T N 1.444 116.148 114.554 0.250 0.000 2.766 157 T HA 0.164 4.512 4.350 -0.002 0.000 0.295 157 T C -1.705 173.178 174.700 0.305 0.000 1.024 157 T CA -1.421 60.850 62.100 0.285 0.000 1.018 157 T CB -0.338 68.618 68.868 0.147 0.000 1.002 157 T HN 0.165 nan 8.240 nan 0.000 0.532 158 P HA -0.098 nan 4.420 nan 0.000 0.218 158 P C 1.630 178.855 177.300 -0.125 0.000 1.148 158 P CA 1.186 64.098 63.100 -0.312 0.000 0.822 158 P CB 0.025 31.443 31.700 -0.471 0.000 0.784 159 Q N 0.022 119.793 119.800 -0.049 0.000 1.806 159 Q HA -0.152 4.186 4.340 -0.002 0.000 0.277 159 Q C 2.112 178.091 176.000 -0.034 0.000 0.993 159 Q CA 1.244 57.024 55.803 -0.037 0.000 0.888 159 Q CB -0.632 28.099 28.738 -0.012 0.000 0.941 159 Q HN 0.209 nan 8.270 nan 0.000 0.420 160 R N 0.993 121.489 120.500 -0.006 0.000 2.397 160 R HA -0.086 4.252 4.340 -0.002 0.000 0.213 160 R C 1.675 177.866 176.300 -0.181 0.000 1.102 160 R CA 0.846 56.924 56.100 -0.037 0.000 1.040 160 R CB -0.536 29.793 30.300 0.048 0.000 0.844 160 R HN 0.313 nan 8.270 nan 0.000 0.478 161 L N 0.391 121.543 121.223 -0.119 0.000 2.200 161 L HA 0.174 4.513 4.340 -0.002 0.000 0.200 161 L C 2.237 179.016 176.870 -0.151 0.000 1.072 161 L CA 1.426 56.158 54.840 -0.180 0.000 0.787 161 L CB -0.836 41.287 42.059 0.108 0.000 0.957 161 L HN 0.233 nan 8.230 nan 0.000 0.459 162 A N 0.306 123.076 122.820 -0.084 0.000 1.908 162 A HA -0.104 4.215 4.320 -0.002 0.000 0.218 162 A C 1.667 179.197 177.584 -0.091 0.000 1.181 162 A CA 1.474 53.463 52.037 -0.081 0.000 0.627 162 A CB -0.701 18.244 19.000 -0.091 0.000 0.818 162 A HN 0.421 nan 8.150 nan 0.000 0.445 163 A N -0.504 122.255 122.820 -0.101 0.000 3.117 163 A HA 0.615 4.934 4.320 -0.002 0.000 0.255 163 A C 0.472 177.985 177.584 -0.118 0.000 1.583 163 A CA 0.441 52.428 52.037 -0.083 0.000 1.234 163 A CB -1.302 17.666 19.000 -0.054 0.000 1.076 163 A HN 1.038 nan 8.150 nan 0.000 0.653 164 A N 0.154 122.878 122.820 -0.160 0.000 2.365 164 A HA 0.562 4.880 4.320 -0.002 0.000 0.318 164 A C -0.479 177.069 177.584 -0.060 0.000 1.091 164 A CA -0.597 51.322 52.037 -0.196 0.000 0.763 164 A CB 0.628 19.311 19.000 -0.528 0.000 1.248 164 A HN 0.337 nan 8.150 nan 0.000 0.442 165 D N 3.173 123.585 120.400 0.020 0.000 2.368 165 D HA 0.126 4.764 4.640 -0.002 0.000 0.268 165 D C -1.467 174.858 176.300 0.042 0.000 1.298 165 D CA -1.371 52.651 54.000 0.037 0.000 0.938 165 D CB 0.910 41.746 40.800 0.060 0.000 1.101 165 D HN 0.131 nan 8.370 nan 0.000 0.509 166 P HA -0.167 nan 4.420 nan 0.000 0.221 166 P C 0.971 178.290 177.300 0.033 0.000 1.141 166 P CA 1.010 64.123 63.100 0.021 0.000 0.794 166 P CB 0.365 32.070 31.700 0.010 0.000 0.764 167 Q N -0.819 119.001 119.800 0.035 0.000 2.259 167 Q HA 0.138 4.477 4.340 -0.002 0.000 0.201 167 Q C 2.120 178.144 176.000 0.041 0.000 0.938 167 Q CA 1.089 56.910 55.803 0.031 0.000 0.872 167 Q CB -0.986 27.766 28.738 0.023 0.000 0.971 167 Q HN 0.066 nan 8.270 nan 0.000 0.494 168 A N 0.138 122.996 122.820 0.062 0.000 1.908 168 A HA -0.177 4.141 4.320 -0.002 0.000 0.218 168 A C 1.839 179.476 177.584 0.087 0.000 1.181 168 A CA 1.448 53.531 52.037 0.078 0.000 0.627 168 A CB -0.697 18.382 19.000 0.132 0.000 0.818 168 A HN 0.395 nan 8.150 nan 0.000 0.445 169 L N -0.163 121.129 121.223 0.116 0.000 2.027 169 L HA -0.125 4.214 4.340 -0.002 0.000 0.206 169 L C 2.463 179.368 176.870 0.059 0.000 1.074 169 L CA 2.238 57.144 54.840 0.110 0.000 0.745 169 L CB -0.527 41.595 42.059 0.106 0.000 0.898 169 L HN 0.459 nan 8.230 nan 0.000 0.433 170 K N -0.126 120.300 120.400 0.044 0.000 2.152 170 K HA -0.170 4.149 4.320 -0.002 0.000 0.206 170 K C 1.779 178.391 176.600 0.019 0.000 1.048 170 K CA 1.376 57.680 56.287 0.027 0.000 0.933 170 K CB -0.076 32.437 32.500 0.021 0.000 0.721 170 K HN 0.309 nan 8.250 nan 0.000 0.447 171 A N 0.663 123.495 122.820 0.020 0.000 2.235 171 A HA 0.047 4.365 4.320 -0.002 0.000 0.208 171 A C 1.670 179.255 177.584 0.002 0.000 1.172 171 A CA 0.483 52.525 52.037 0.009 0.000 0.786 171 A CB -0.192 18.812 19.000 0.007 0.000 0.804 171 A HN 0.299 nan 8.150 nan 0.000 0.479 172 L N -1.856 119.372 121.223 0.007 0.000 2.529 172 L HA 0.298 4.637 4.340 -0.002 0.000 0.223 172 L C 1.300 178.170 176.870 -0.000 0.000 1.113 172 L CA 0.668 55.507 54.840 -0.002 0.000 0.861 172 L CB 0.197 42.257 42.059 0.002 0.000 1.012 172 L HN 0.492 nan 8.230 nan 0.000 0.461 173 G N 1.149 109.952 108.800 0.005 0.000 2.330 173 G HA2 -0.070 3.888 3.960 -0.002 0.000 0.125 173 G HA3 -0.070 3.888 3.960 -0.002 0.000 0.125 173 G C -0.302 174.601 174.900 0.005 0.000 1.060 173 G CA -0.067 45.033 45.100 0.001 0.000 0.743 173 G HN 0.156 nan 8.290 nan 0.000 0.480 174 M N -1.710 117.896 119.600 0.010 0.000 2.531 174 M HA 0.802 5.280 4.480 -0.002 0.000 0.286 174 M C -3.033 173.275 176.300 0.012 0.000 1.232 174 M CA -2.157 53.150 55.300 0.012 0.000 0.877 174 M CB 1.696 34.309 32.600 0.021 0.000 1.726 174 M HN -0.111 nan 8.290 nan 0.000 0.463 175 P HA 0.016 nan 4.420 nan 0.000 0.271 175 P C 0.392 177.700 177.300 0.014 0.000 1.233 175 P CA -0.410 62.696 63.100 0.009 0.000 0.795 175 P CB 0.468 32.173 31.700 0.008 0.000 0.936 176 L N 1.787 123.017 121.223 0.012 0.000 2.109 176 L HA -0.079 4.260 4.340 -0.002 0.000 0.207 176 L C 1.810 178.690 176.870 0.016 0.000 1.086 176 L CA 1.894 56.743 54.840 0.014 0.000 0.760 176 L CB -0.939 41.125 42.059 0.009 0.000 0.910 176 L HN 0.233 nan 8.230 nan 0.000 0.437 177 K N -1.018 119.391 120.400 0.015 0.000 2.360 177 K HA -0.173 4.146 4.320 -0.002 0.000 0.201 177 K C 2.142 178.760 176.600 0.030 0.000 1.046 177 K CA 0.951 57.250 56.287 0.019 0.000 0.945 177 K CB -0.018 32.493 32.500 0.019 0.000 0.750 177 K HN 0.274 nan 8.250 nan 0.000 0.464 178 R N 0.250 120.768 120.500 0.030 0.000 2.105 178 R HA 0.066 4.404 4.340 -0.002 0.000 0.214 178 R C 2.084 178.410 176.300 0.042 0.000 1.091 178 R CA 0.823 56.946 56.100 0.039 0.000 1.007 178 R CB -0.020 30.300 30.300 0.034 0.000 0.912 178 R HN 0.105 nan 8.270 nan 0.000 0.450 179 A N 0.766 123.607 122.820 0.035 0.000 2.131 179 A HA -0.177 4.142 4.320 -0.002 0.000 0.220 179 A C 1.605 179.208 177.584 0.032 0.000 1.158 179 A CA 1.475 53.533 52.037 0.036 0.000 0.665 179 A CB -0.273 18.747 19.000 0.034 0.000 0.795 179 A HN 0.459 nan 8.150 nan 0.000 0.460 180 E N -0.777 119.442 120.200 0.031 0.000 2.166 180 E HA 0.130 4.478 4.350 -0.002 0.000 0.192 180 E C 2.321 178.954 176.600 0.055 0.000 0.967 180 E CA 0.516 56.932 56.400 0.027 0.000 0.840 180 E CB -0.154 29.551 29.700 0.009 0.000 0.795 180 E HN 0.585 nan 8.360 nan 0.000 0.470 181 A N 1.283 124.143 122.820 0.067 0.000 1.883 181 A HA -0.198 4.121 4.320 -0.002 0.000 0.217 181 A C 2.072 179.710 177.584 0.089 0.000 1.186 181 A CA 1.125 53.219 52.037 0.096 0.000 0.624 181 A CB -0.544 18.512 19.000 0.095 0.000 0.822 181 A HN 0.112 nan 8.150 nan 0.000 0.444 182 L N -0.044 121.227 121.223 0.080 0.000 1.990 182 L HA -0.207 4.131 4.340 -0.002 0.000 0.213 182 L C 2.480 179.412 176.870 0.103 0.000 1.072 182 L CA 1.848 56.748 54.840 0.099 0.000 0.755 182 L CB -0.702 41.402 42.059 0.075 0.000 0.889 182 L HN 0.440 nan 8.230 nan 0.000 0.432 183 I N -1.905 118.700 120.570 0.059 0.000 2.226 183 I HA -0.325 3.844 4.170 -0.002 0.000 0.245 183 I C 2.524 178.663 176.117 0.036 0.000 1.100 183 I CA 1.259 62.577 61.300 0.030 0.000 1.374 183 I CB -0.515 37.487 38.000 0.004 0.000 1.057 183 I HN 0.362 nan 8.210 nan 0.000 0.413 184 H N 1.090 120.108 119.070 -0.087 0.000 2.423 184 H HA -0.150 4.405 4.556 -0.002 0.000 0.297 184 H C 1.890 177.069 175.328 -0.248 0.000 1.075 184 H CA 1.507 57.445 56.048 -0.183 0.000 1.342 184 H CB -0.117 29.514 29.762 -0.218 0.000 1.395 184 H HN 0.173 nan 8.280 nan 0.000 0.530 185 L N 0.186 121.296 121.223 -0.188 0.000 1.988 185 L HA -0.021 4.317 4.340 -0.002 0.000 0.207 185 L C 2.613 179.409 176.870 -0.124 0.000 1.071 185 L CA 1.882 56.635 54.840 -0.145 0.000 0.744 185 L CB -1.169 40.970 42.059 0.132 0.000 0.893 185 L HN 0.314 nan 8.230 nan 0.000 0.433 186 A N -0.637 122.184 122.820 0.001 0.000 1.997 186 A HA -0.317 4.001 4.320 -0.002 0.000 0.221 186 A C 2.087 179.486 177.584 -0.308 0.000 1.172 186 A CA 2.363 54.236 52.037 -0.273 0.000 0.645 186 A CB -0.977 18.017 19.000 -0.010 0.000 0.813 186 A HN 0.630 nan 8.150 nan 0.000 0.454 187 N N -0.224 118.358 118.700 -0.198 0.000 2.092 187 N HA 0.025 4.763 4.740 -0.002 0.000 0.189 187 N C 1.880 177.268 175.510 -0.203 0.000 1.040 187 N CA 1.645 54.596 53.050 -0.165 0.000 0.845 187 N CB -0.515 37.922 38.487 -0.084 0.000 1.017 187 N HN 0.364 nan 8.380 nan 0.000 0.426 188 A N 0.461 123.100 122.820 -0.301 0.000 2.042 188 A HA -0.146 4.173 4.320 -0.002 0.000 0.222 188 A C 2.212 179.708 177.584 -0.146 0.000 1.167 188 A CA 2.108 53.993 52.037 -0.253 0.000 0.649 188 A CB -1.032 17.741 19.000 -0.377 0.000 0.809 188 A HN 0.393 nan 8.150 nan 0.000 0.457 189 A N -0.624 122.061 122.820 -0.225 0.000 1.855 189 A HA 0.043 4.361 4.320 -0.002 0.000 0.215 189 A C 1.997 179.486 177.584 -0.159 0.000 1.191 189 A CA 1.579 53.478 52.037 -0.231 0.000 0.613 189 A CB -0.530 18.146 19.000 -0.539 0.000 0.829 189 A HN 0.437 nan 8.150 nan 0.000 0.442 190 L N 0.280 121.402 121.223 -0.168 0.000 2.217 190 L HA -0.076 4.263 4.340 -0.002 0.000 0.211 190 L C 1.626 178.457 176.870 -0.065 0.000 1.107 190 L CA 1.565 56.341 54.840 -0.107 0.000 0.783 190 L CB -0.381 41.616 42.059 -0.103 0.000 0.919 190 L HN 0.687 nan 8.230 nan 0.000 0.442 191 E N -0.593 119.570 120.200 -0.062 0.000 2.542 191 E HA 0.264 4.612 4.350 -0.002 0.000 0.224 191 E C 1.059 177.651 176.600 -0.014 0.000 1.110 191 E CA 0.231 56.612 56.400 -0.032 0.000 1.350 191 E CB -0.261 29.424 29.700 -0.026 0.000 1.302 191 E HN 0.183 nan 8.360 nan 0.000 0.435 192 G N 1.541 110.333 108.800 -0.013 0.000 2.393 192 G HA2 -0.383 3.576 3.960 -0.002 0.000 0.304 192 G HA3 -0.383 3.576 3.960 -0.002 0.000 0.304 192 G C 0.802 175.722 174.900 0.033 0.000 0.977 192 G CA 1.343 46.449 45.100 0.010 0.000 0.803 192 G HN 0.461 nan 8.290 nan 0.000 0.511 193 T N -1.117 113.459 114.554 0.037 0.000 3.067 193 T HA 0.214 4.562 4.350 -0.002 0.000 0.261 193 T C 0.799 175.598 174.700 0.166 0.000 1.110 193 T CA 0.766 62.920 62.100 0.090 0.000 1.113 193 T CB 0.340 69.252 68.868 0.073 0.000 0.917 193 T HN 0.314 nan 8.240 nan 0.000 0.499 194 L N 3.110 124.418 121.223 0.143 0.000 2.280 194 L HA 0.455 4.793 4.340 -0.002 0.000 0.287 194 L C -2.730 174.273 176.870 0.221 0.000 1.023 194 L CA -2.594 52.382 54.840 0.225 0.000 0.819 194 L CB 0.917 43.099 42.059 0.206 0.000 1.212 194 L HN -0.226 nan 8.230 nan 0.000 0.420 195 P HA 0.093 nan 4.420 nan 0.000 0.261 195 P C 0.276 177.751 177.300 0.292 0.000 1.203 195 P CA 0.094 63.284 63.100 0.149 0.000 0.767 195 P CB 0.405 32.072 31.700 -0.056 0.000 0.785 196 M N 1.149 120.859 119.600 0.183 0.000 2.618 196 M HA 0.065 4.544 4.480 -0.002 0.000 0.240 196 M C 0.820 177.224 176.300 0.175 0.000 1.123 196 M CA 0.700 56.132 55.300 0.221 0.000 1.060 196 M CB -0.912 31.774 32.600 0.144 0.000 1.535 196 M HN 0.348 nan 8.290 nan 0.000 0.507 197 T N -1.883 112.706 114.554 0.059 0.000 2.868 197 T HA 0.472 4.821 4.350 -0.002 0.000 0.306 197 T C -0.493 174.019 174.700 -0.313 0.000 1.224 197 T CA -0.814 61.269 62.100 -0.028 0.000 1.012 197 T CB 1.884 70.731 68.868 -0.036 0.000 1.221 197 T HN 0.126 nan 8.240 nan 0.000 0.499 198 I N 4.754 125.170 120.570 -0.257 0.000 2.792 198 I HA 0.213 4.382 4.170 -0.002 0.000 0.284 198 I C -1.603 174.258 176.117 -0.427 0.000 1.166 198 I CA -1.371 59.678 61.300 -0.420 0.000 1.375 198 I CB 0.602 38.538 38.000 -0.107 0.000 1.421 198 I HN 0.542 nan 8.210 nan 0.000 0.544 199 P HA 0.123 nan 4.420 nan 0.000 0.274 199 P C 0.600 177.735 177.300 -0.275 0.000 1.256 199 P CA -0.245 62.602 63.100 -0.422 0.000 0.795 199 P CB 0.728 32.111 31.700 -0.528 0.000 1.038 200 G N 0.366 109.054 108.800 -0.186 0.000 2.511 200 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.216 200 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.216 200 G C 0.327 175.156 174.900 -0.118 0.000 1.218 200 G CA 0.743 45.766 45.100 -0.129 0.000 0.788 200 G HN 0.591 nan 8.290 nan 0.000 0.560 201 D N 0.056 120.388 120.400 -0.114 0.000 2.380 201 D HA 0.358 4.997 4.640 -0.002 0.000 0.230 201 D C 1.435 177.679 176.300 -0.093 0.000 1.154 201 D CA -0.387 53.562 54.000 -0.085 0.000 0.859 201 D CB 1.594 42.358 40.800 -0.061 0.000 1.045 201 D HN -0.052 nan 8.370 nan 0.000 0.495 202 V N 4.385 124.258 119.914 -0.068 0.000 2.270 202 V HA -0.164 3.954 4.120 -0.002 0.000 0.245 202 V C 2.274 178.403 176.094 0.058 0.000 1.043 202 V CA 1.226 63.517 62.300 -0.014 0.000 1.014 202 V CB -0.288 31.561 31.823 0.043 0.000 0.645 202 V HN 0.559 nan 8.190 nan 0.000 0.447 203 E N 0.161 120.383 120.200 0.037 0.000 2.114 203 E HA -0.333 4.016 4.350 -0.002 0.000 0.199 203 E C 2.198 178.821 176.600 0.039 0.000 1.008 203 E CA 2.102 58.528 56.400 0.044 0.000 0.810 203 E CB -0.330 29.382 29.700 0.020 0.000 0.739 203 E HN 0.730 nan 8.360 nan 0.000 0.456 204 Q N 0.781 120.588 119.800 0.012 0.000 2.119 204 Q HA -0.049 4.289 4.340 -0.002 0.000 0.201 204 Q C 1.835 177.842 176.000 0.011 0.000 0.972 204 Q CA 1.937 57.742 55.803 0.003 0.000 0.847 204 Q CB -0.310 28.417 28.738 -0.018 0.000 0.903 204 Q HN 0.184 nan 8.270 nan 0.000 0.433 205 A N -0.346 122.483 122.820 0.015 0.000 2.167 205 A HA 0.063 4.382 4.320 -0.002 0.000 0.214 205 A C 1.880 179.569 177.584 0.175 0.000 1.151 205 A CA 0.929 52.991 52.037 0.042 0.000 0.735 205 A CB -0.343 18.597 19.000 -0.100 0.000 0.802 205 A HN 0.505 nan 8.150 nan 0.000 0.467 206 M N -1.543 118.160 119.600 0.171 0.000 2.357 206 M HA -0.005 4.474 4.480 -0.002 0.000 0.266 206 M C 1.957 178.279 176.300 0.037 0.000 1.095 206 M CA 0.816 56.202 55.300 0.144 0.000 1.156 206 M CB -0.061 32.624 32.600 0.142 0.000 1.365 206 M HN 0.084 nan 8.290 nan 0.000 0.447 207 K N 0.718 121.135 120.400 0.029 0.000 2.015 207 K HA -0.114 4.204 4.320 -0.002 0.000 0.216 207 K C 1.866 178.441 176.600 -0.041 0.000 1.052 207 K CA 1.951 58.240 56.287 0.003 0.000 0.937 207 K CB -1.273 31.233 32.500 0.009 0.000 0.719 207 K HN 0.218 nan 8.250 nan 0.000 0.446 208 T N 1.504 116.025 114.554 -0.054 0.000 2.737 208 T HA -0.144 4.205 4.350 -0.002 0.000 0.269 208 T C 1.831 176.312 174.700 -0.365 0.000 1.040 208 T CA 1.289 63.314 62.100 -0.124 0.000 1.142 208 T CB -0.228 68.594 68.868 -0.078 0.000 0.861 208 T HN 0.074 nan 8.240 nan 0.000 0.456 209 L N 0.569 121.574 121.223 -0.364 0.000 2.027 209 L HA -0.117 4.221 4.340 -0.002 0.000 0.206 209 L C 2.861 179.480 176.870 -0.418 0.000 1.074 209 L CA 1.361 55.828 54.840 -0.623 0.000 0.745 209 L CB -0.521 41.379 42.059 -0.266 0.000 0.898 209 L HN 0.304 nan 8.230 nan 0.000 0.433 210 Q N -0.817 118.892 119.800 -0.152 0.000 2.368 210 Q HA -0.205 4.133 4.340 -0.002 0.000 0.210 210 Q C 1.943 177.957 176.000 0.022 0.000 0.982 210 Q CA 1.820 57.609 55.803 -0.024 0.000 0.884 210 Q CB -0.398 28.350 28.738 0.017 0.000 0.933 210 Q HN 0.631 nan 8.270 nan 0.000 0.460 211 T N -1.869 112.675 114.554 -0.017 0.000 3.085 211 T HA -0.019 4.330 4.350 -0.002 0.000 0.263 211 T C 0.463 175.345 174.700 0.304 0.000 1.127 211 T CA -0.128 62.034 62.100 0.103 0.000 1.103 211 T CB -0.092 68.832 68.868 0.092 0.000 0.921 211 T HN -0.075 nan 8.240 nan 0.000 0.510 212 F N 3.388 123.407 119.950 0.116 0.000 2.490 212 F HA 0.394 4.916 4.527 -0.008 0.000 0.336 212 F C -1.912 173.971 175.800 0.138 0.000 1.178 212 F CA -3.324 54.785 58.000 0.180 0.000 1.301 212 F CB -0.154 38.922 39.000 0.125 0.000 1.175 212 F HN 0.030 nan 8.300 nan 0.000 0.593 213 P HA 0.221 nan 4.420 nan 0.000 0.281 213 P C 0.550 177.953 177.300 0.171 0.000 1.252 213 P CA 0.428 63.633 63.100 0.175 0.000 0.778 213 P CB 1.199 32.947 31.700 0.079 0.000 0.895 214 G N 3.129 112.004 108.800 0.126 0.000 2.225 214 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.254 214 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.254 214 G C 0.047 175.023 174.900 0.127 0.000 0.988 214 G CA -0.195 44.971 45.100 0.110 0.000 0.625 214 G HN 0.526 nan 8.290 nan 0.000 0.527 215 I N 1.818 122.482 120.570 0.156 0.000 2.354 215 I HA 0.596 4.764 4.170 -0.002 0.000 0.286 215 I C 1.019 177.213 176.117 0.128 0.000 1.007 215 I CA -0.174 61.215 61.300 0.147 0.000 1.167 215 I CB 1.401 39.494 38.000 0.156 0.000 1.320 215 I HN 0.191 nan 8.210 nan 0.000 0.458 216 G N 4.699 113.584 108.800 0.142 0.000 2.971 216 G HA2 0.398 4.356 3.960 -0.002 0.000 0.235 216 G HA3 0.398 4.356 3.960 -0.002 0.000 0.235 216 G C 0.641 175.629 174.900 0.145 0.000 1.351 216 G CA -0.488 44.693 45.100 0.134 0.000 1.039 216 G HN 0.537 nan 8.290 nan 0.000 0.563 217 R N -1.610 118.980 120.500 0.149 0.000 2.080 217 R HA -0.109 4.229 4.340 -0.002 0.000 0.236 217 R C 2.168 178.572 176.300 0.174 0.000 1.137 217 R CA 1.975 58.159 56.100 0.139 0.000 0.943 217 R CB -0.311 30.071 30.300 0.137 0.000 0.846 217 R HN 0.636 nan 8.270 nan 0.000 0.431 218 W N 1.176 122.522 121.300 0.077 0.000 2.352 218 W HA -0.202 4.457 4.660 -0.003 0.000 0.322 218 W C 2.237 178.829 176.519 0.121 0.000 1.208 218 W CA 2.040 59.441 57.345 0.093 0.000 1.286 218 W CB -0.581 28.921 29.460 0.069 0.000 1.167 218 W HN -0.037 nan 8.180 nan 0.000 0.469 219 T N 0.394 115.295 114.554 0.578 0.000 2.822 219 T HA -0.229 4.120 4.350 -0.002 0.000 0.270 219 T C 1.647 176.467 174.700 0.201 0.000 1.064 219 T CA 1.655 64.031 62.100 0.461 0.000 1.131 219 T CB -0.654 68.418 68.868 0.340 0.000 0.858 219 T HN 0.300 nan 8.240 nan 0.000 0.483 220 A N 1.091 123.979 122.820 0.113 0.000 2.021 220 A HA 0.072 4.391 4.320 -0.002 0.000 0.216 220 A C 2.079 179.657 177.584 -0.010 0.000 1.163 220 A CA 0.930 52.990 52.037 0.038 0.000 0.676 220 A CB -0.407 18.606 19.000 0.021 0.000 0.818 220 A HN 0.554 nan 8.150 nan 0.000 0.453 221 N N -1.457 117.202 118.700 -0.068 0.000 2.083 221 N HA -0.151 4.588 4.740 -0.002 0.000 0.190 221 N C 1.632 177.012 175.510 -0.216 0.000 1.047 221 N CA 1.391 54.352 53.050 -0.149 0.000 0.845 221 N CB -0.359 38.002 38.487 -0.210 0.000 1.025 221 N HN 0.471 nan 8.380 nan 0.000 0.428 222 Y N 0.718 120.719 120.300 -0.497 0.000 2.446 222 Y HA -0.237 4.312 4.550 -0.002 0.000 0.287 222 Y C 1.793 177.566 175.900 -0.212 0.000 1.159 222 Y CA 1.118 58.951 58.100 -0.444 0.000 1.297 222 Y CB -0.270 37.740 38.460 -0.750 0.000 0.974 222 Y HN 0.135 nan 8.280 nan 0.000 0.557 223 F N -0.233 119.519 119.950 -0.329 0.000 2.179 223 F HA 0.046 4.570 4.527 -0.005 0.000 0.292 223 F C 2.330 177.752 175.800 -0.630 0.000 1.089 223 F CA 1.272 59.005 58.000 -0.446 0.000 1.295 223 F CB -0.907 37.867 39.000 -0.376 0.000 1.041 223 F HN -0.046 nan 8.300 nan 0.000 0.487 224 A N 0.917 123.337 122.820 -0.668 0.000 1.948 224 A HA -0.202 4.116 4.320 -0.002 0.000 0.220 224 A C 2.297 179.605 177.584 -0.461 0.000 1.177 224 A CA 1.945 53.577 52.037 -0.675 0.000 0.636 224 A CB -1.329 17.580 19.000 -0.151 0.000 0.815 224 A HN 0.594 nan 8.150 nan 0.000 0.449 225 L N -1.122 119.843 121.223 -0.431 0.000 1.994 225 L HA -0.156 4.182 4.340 -0.002 0.000 0.208 225 L C 2.705 179.300 176.870 -0.458 0.000 1.071 225 L CA 1.487 56.095 54.840 -0.387 0.000 0.745 225 L CB -0.179 41.655 42.059 -0.374 0.000 0.892 225 L HN 0.283 nan 8.230 nan 0.000 0.431 226 R N -0.886 119.244 120.500 -0.615 0.000 2.140 226 R HA 0.086 4.425 4.340 -0.002 0.000 0.213 226 R C 2.024 177.988 176.300 -0.560 0.000 1.059 226 R CA 0.989 56.763 56.100 -0.542 0.000 1.000 226 R CB -0.542 29.407 30.300 -0.584 0.000 0.910 226 R HN 0.474 nan 8.270 nan 0.000 0.455 227 G N -0.137 108.111 108.800 -0.921 0.000 2.411 227 G HA2 -0.145 3.813 3.960 -0.002 0.000 0.213 227 G HA3 -0.145 3.813 3.960 -0.002 0.000 0.213 227 G C 0.725 175.244 174.900 -0.635 0.000 1.166 227 G CA -0.024 44.402 45.100 -1.123 0.000 0.802 227 G HN 0.237 nan 8.290 nan 0.000 0.533 228 W N 0.129 121.111 121.300 -0.531 0.000 3.220 228 W HA 0.359 5.016 4.660 -0.006 0.000 0.328 228 W C 0.644 177.029 176.519 -0.224 0.000 1.205 228 W CA -0.612 56.561 57.345 -0.286 0.000 1.773 228 W CB -0.344 28.989 29.460 -0.211 0.000 1.086 228 W HN 0.259 nan 8.180 nan 0.000 0.622 229 Q N -0.390 119.344 119.800 -0.110 0.000 2.435 229 Q HA -0.168 4.171 4.340 -0.002 0.000 0.312 229 Q C 0.320 176.284 176.000 -0.061 0.000 1.333 229 Q CA 0.957 56.687 55.803 -0.122 0.000 0.883 229 Q CB -1.938 26.750 28.738 -0.084 0.000 1.170 229 Q HN 0.169 nan 8.270 nan 0.000 0.443 230 A N 0.253 123.048 122.820 -0.042 0.000 2.492 230 A HA 0.299 4.617 4.320 -0.002 0.000 0.254 230 A C 0.793 178.330 177.584 -0.079 0.000 1.091 230 A CA 0.045 52.076 52.037 -0.010 0.000 0.768 230 A CB 0.503 19.534 19.000 0.052 0.000 1.028 230 A HN 0.308 nan 8.150 nan 0.000 0.498 231 K N 0.758 121.133 120.400 -0.041 0.000 2.379 231 K HA 0.068 4.386 4.320 -0.002 0.000 0.194 231 K C -0.009 176.591 176.600 0.001 0.000 1.031 231 K CA 0.543 56.817 56.287 -0.022 0.000 1.037 231 K CB 0.457 33.101 32.500 0.241 0.000 0.824 231 K HN 0.636 nan 8.250 nan 0.000 0.516 232 D N 0.836 121.209 120.400 -0.044 0.000 3.088 232 D HA 0.141 4.779 4.640 -0.002 0.000 0.310 232 D C -1.407 174.899 176.300 0.010 0.000 1.351 232 D CA -0.149 53.828 54.000 -0.039 0.000 0.921 232 D CB 0.258 40.986 40.800 -0.121 0.000 1.045 232 D HN -0.273 nan 8.370 nan 0.000 0.504 233 V N 1.808 121.738 119.914 0.027 0.000 2.709 233 V HA 0.556 4.674 4.120 -0.002 0.000 0.308 233 V C -0.957 175.201 176.094 0.106 0.000 1.062 233 V CA -0.909 61.414 62.300 0.040 0.000 0.901 233 V CB 2.222 34.023 31.823 -0.037 0.000 1.003 233 V HN 0.120 nan 8.190 nan 0.000 0.425 234 F N 4.837 124.766 119.950 -0.034 0.000 2.573 234 F HA 0.683 5.208 4.527 -0.003 0.000 0.316 234 F C -0.998 174.804 175.800 0.004 0.000 1.148 234 F CA -0.679 57.315 58.000 -0.011 0.000 0.940 234 F CB 1.837 40.876 39.000 0.064 0.000 1.214 234 F HN 0.284 nan 8.300 nan 0.000 0.448 235 L N 8.285 129.298 121.223 -0.351 0.000 2.353 235 L HA 0.395 4.734 4.340 -0.002 0.000 0.269 235 L C -1.769 175.102 176.870 0.002 0.000 1.085 235 L CA -1.252 53.510 54.840 -0.130 0.000 0.938 235 L CB 0.424 42.364 42.059 -0.199 0.000 1.312 235 L HN 0.373 nan 8.230 nan 0.000 0.429 236 P HA -0.092 nan 4.420 nan 0.000 0.242 236 P C 0.332 177.801 177.300 0.282 0.000 1.197 236 P CA 0.740 64.061 63.100 0.368 0.000 0.765 236 P CB 0.599 32.507 31.700 0.347 0.000 0.936 237 D N -0.376 120.181 120.400 0.262 0.000 2.398 237 D HA 0.026 4.664 4.640 -0.002 0.000 0.210 237 D C -0.060 176.434 176.300 0.323 0.000 1.094 237 D CA -0.246 53.913 54.000 0.265 0.000 0.839 237 D CB -0.362 40.591 40.800 0.255 0.000 0.963 237 D HN -0.020 nan 8.370 nan 0.000 0.506 238 D N -0.668 119.970 120.400 0.396 0.000 2.425 238 D HA -0.053 4.586 4.640 -0.002 0.000 0.247 238 D C 1.945 178.399 176.300 0.258 0.000 1.147 238 D CA -0.029 54.251 54.000 0.466 0.000 0.879 238 D CB 0.906 42.091 40.800 0.643 0.000 1.179 238 D HN 0.249 nan 8.370 nan 0.000 0.456 239 C N 3.398 122.765 119.300 0.112 0.000 2.401 239 C HA -0.154 4.305 4.460 -0.002 0.000 0.276 239 C C 2.372 177.409 174.990 0.079 0.000 1.233 239 C CA 0.091 59.137 59.018 0.046 0.000 1.753 239 C CB -1.350 26.356 27.740 -0.056 0.000 2.029 239 C HN 0.706 nan 8.230 nan 0.000 0.478 240 L N 0.906 122.183 121.223 0.089 0.000 2.156 240 L HA 0.148 4.487 4.340 -0.002 0.000 0.208 240 L C 2.485 179.463 176.870 0.180 0.000 1.095 240 L CA 1.439 56.331 54.840 0.088 0.000 0.770 240 L CB -0.718 41.337 42.059 -0.008 0.000 0.914 240 L HN 0.381 nan 8.230 nan 0.000 0.439 241 I N -0.874 119.862 120.570 0.276 0.000 2.252 241 I HA -0.297 3.872 4.170 -0.002 0.000 0.245 241 I C 2.306 178.605 176.117 0.302 0.000 1.102 241 I CA 1.051 62.527 61.300 0.293 0.000 1.385 241 I CB -0.337 37.877 38.000 0.357 0.000 1.064 241 I HN 0.256 nan 8.210 nan 0.000 0.414 242 K N 0.685 121.258 120.400 0.289 0.000 2.063 242 K HA -0.246 4.073 4.320 -0.002 0.000 0.208 242 K C 2.072 178.785 176.600 0.189 0.000 1.048 242 K CA 1.500 57.950 56.287 0.271 0.000 0.928 242 K CB -0.234 32.380 32.500 0.190 0.000 0.713 242 K HN 0.406 nan 8.250 nan 0.000 0.442 243 Q N 0.119 119.992 119.800 0.122 0.000 2.226 243 Q HA -0.153 4.186 4.340 -0.002 0.000 0.204 243 Q C 2.018 178.040 176.000 0.037 0.000 0.975 243 Q CA 1.058 56.904 55.803 0.070 0.000 0.866 243 Q CB -0.012 28.755 28.738 0.047 0.000 0.915 243 Q HN 0.069 nan 8.270 nan 0.000 0.440 244 R N -0.327 120.175 120.500 0.003 0.000 2.193 244 R HA -0.002 4.337 4.340 -0.002 0.000 0.213 244 R C -0.216 175.894 176.300 -0.316 0.000 1.055 244 R CA 0.688 56.704 56.100 -0.140 0.000 0.995 244 R CB 0.314 30.522 30.300 -0.152 0.000 0.893 244 R HN 0.045 nan 8.270 nan 0.000 0.459 245 F N 2.389 122.404 119.950 0.107 0.000 2.578 245 F HA 0.364 4.890 4.527 -0.003 0.000 0.314 245 F C -1.939 173.872 175.800 0.019 0.000 1.225 245 F CA -3.324 54.698 58.000 0.036 0.000 1.215 245 F CB 0.673 39.699 39.000 0.042 0.000 1.448 245 F HN -0.146 nan 8.300 nan 0.000 0.548 246 P HA 0.050 nan 4.420 nan 0.000 0.255 246 P C 0.631 177.979 177.300 0.080 0.000 1.173 246 P CA 0.865 64.013 63.100 0.080 0.000 0.780 246 P CB 0.438 32.160 31.700 0.036 0.000 0.758 247 G N 2.635 111.481 108.800 0.077 0.000 2.546 247 G HA2 -0.124 3.835 3.960 -0.002 0.000 0.285 247 G HA3 -0.124 3.835 3.960 -0.002 0.000 0.285 247 G C -0.544 174.389 174.900 0.055 0.000 1.105 247 G CA -0.184 44.949 45.100 0.055 0.000 1.189 247 G HN 0.624 nan 8.290 nan 0.000 0.534 248 M N 0.634 120.274 119.600 0.067 0.000 2.449 248 M HA 0.481 4.959 4.480 -0.002 0.000 0.291 248 M C 0.307 176.635 176.300 0.046 0.000 1.148 248 M CA -0.219 55.101 55.300 0.034 0.000 0.925 248 M CB 1.835 34.441 32.600 0.010 0.000 1.767 248 M HN 0.773 nan 8.290 nan 0.000 0.503 249 T N -0.085 114.481 114.554 0.019 0.000 2.899 249 T HA 0.522 4.871 4.350 -0.002 0.000 0.284 249 T C -2.368 172.360 174.700 0.045 0.000 1.004 249 T CA -1.600 60.522 62.100 0.036 0.000 1.043 249 T CB 0.826 69.709 68.868 0.025 0.000 1.013 249 T HN 0.437 nan 8.240 nan 0.000 0.518 250 P HA 0.117 nan 4.420 nan 0.000 0.249 250 P C 0.500 177.846 177.300 0.075 0.000 1.227 250 P CA 0.512 63.672 63.100 0.099 0.000 0.753 250 P CB -0.318 31.445 31.700 0.105 0.000 0.966 251 A N -1.682 121.162 122.820 0.039 0.000 2.377 251 A HA 0.112 4.431 4.320 -0.002 0.000 0.209 251 A C 1.758 179.335 177.584 -0.011 0.000 1.359 251 A CA 0.076 52.126 52.037 0.021 0.000 1.026 251 A CB -0.076 18.936 19.000 0.020 0.000 1.224 251 A HN 0.036 nan 8.150 nan 0.000 0.528 252 Q N 0.115 119.896 119.800 -0.032 0.000 2.425 252 Q HA 0.096 4.434 4.340 -0.002 0.000 0.204 252 Q C 1.599 177.515 176.000 -0.141 0.000 0.933 252 Q CA 0.868 56.630 55.803 -0.069 0.000 0.939 252 Q CB 0.203 28.902 28.738 -0.065 0.000 1.044 252 Q HN 0.834 nan 8.270 nan 0.000 0.513 253 I N -3.099 117.376 120.570 -0.159 0.000 3.790 253 I HA 0.065 4.234 4.170 -0.002 0.000 0.305 253 I C 1.522 177.577 176.117 -0.103 0.000 1.253 253 I CA 0.621 61.757 61.300 -0.274 0.000 1.355 253 I CB -0.397 37.345 38.000 -0.429 0.000 1.137 253 I HN 0.003 nan 8.210 nan 0.000 0.435 254 R N 1.403 121.890 120.500 -0.021 0.000 2.159 254 R HA -0.105 4.233 4.340 -0.002 0.000 0.237 254 R C 1.646 177.892 176.300 -0.090 0.000 1.131 254 R CA 1.346 57.439 56.100 -0.011 0.000 0.982 254 R CB -0.185 30.136 30.300 0.035 0.000 0.868 254 R HN 0.367 nan 8.270 nan 0.000 0.453 255 R N -1.575 118.869 120.500 -0.092 0.000 2.334 255 R HA 0.042 4.381 4.340 -0.002 0.000 0.212 255 R C 1.263 177.464 176.300 -0.166 0.000 0.897 255 R CA 0.293 56.324 56.100 -0.116 0.000 1.056 255 R CB -0.197 30.056 30.300 -0.079 0.000 1.046 255 R HN 0.245 nan 8.270 nan 0.000 0.513 256 Y N 0.227 120.339 120.300 -0.313 0.000 2.301 256 Y HA 0.186 4.734 4.550 -0.003 0.000 0.295 256 Y C 1.755 177.300 175.900 -0.591 0.000 1.119 256 Y CA 1.055 58.915 58.100 -0.401 0.000 1.162 256 Y CB 0.086 38.295 38.460 -0.418 0.000 1.046 256 Y HN 0.020 nan 8.280 nan 0.000 0.538 257 A N -0.302 122.256 122.820 -0.436 0.000 2.261 257 A HA 0.006 4.324 4.320 -0.002 0.000 0.208 257 A C 1.735 179.054 177.584 -0.442 0.000 1.223 257 A CA 0.873 52.550 52.037 -0.598 0.000 0.833 257 A CB -0.835 17.484 19.000 -1.135 0.000 0.830 257 A HN 0.598 nan 8.150 nan 0.000 0.483 258 E N 1.099 121.058 120.200 -0.402 0.000 2.208 258 E HA -0.160 4.189 4.350 -0.002 0.000 0.193 258 E C 2.006 178.420 176.600 -0.310 0.000 0.988 258 E CA 1.078 57.313 56.400 -0.275 0.000 0.828 258 E CB -0.128 29.438 29.700 -0.224 0.000 0.763 258 E HN 0.715 nan 8.360 nan 0.000 0.478 259 R N -0.381 119.793 120.500 -0.543 0.000 2.323 259 R HA -0.045 4.294 4.340 -0.002 0.000 0.198 259 R C 0.267 176.311 176.300 -0.427 0.000 0.988 259 R CA 0.475 56.237 56.100 -0.563 0.000 1.041 259 R CB -0.038 29.750 30.300 -0.854 0.000 0.926 259 R HN 0.219 nan 8.270 nan 0.000 0.476 260 W N 1.728 122.952 121.300 -0.127 0.000 2.818 260 W HA 0.385 5.044 4.660 -0.003 0.000 0.403 260 W C -0.361 176.145 176.519 -0.022 0.000 0.991 260 W CA -1.246 56.071 57.345 -0.047 0.000 1.925 260 W CB 0.172 29.607 29.460 -0.041 0.000 1.166 260 W HN -0.085 nan 8.180 nan 0.000 0.605 261 K N 2.515 122.956 120.400 0.069 0.000 2.436 261 K HA 0.026 4.344 4.320 -0.002 0.000 0.275 261 K C -1.583 174.963 176.600 -0.091 0.000 0.999 261 K CA -0.422 55.841 56.287 -0.040 0.000 0.980 261 K CB 0.877 33.326 32.500 -0.085 0.000 0.919 261 K HN -0.237 nan 8.250 nan 0.000 0.484 262 P HA 0.153 nan 4.420 nan 0.000 0.223 262 P C -1.272 175.583 177.300 -0.741 0.000 1.878 262 P CA -0.299 62.492 63.100 -0.515 0.000 1.038 262 P CB -0.209 31.124 31.700 -0.612 0.000 1.774 263 W N -0.059 121.300 121.300 0.099 0.000 1.658 263 W HA 0.429 5.087 4.660 -0.003 0.000 0.325 263 W C 1.485 178.083 176.519 0.130 0.000 0.833 263 W CA -0.542 56.887 57.345 0.140 0.000 2.665 263 W CB 0.526 30.050 29.460 0.107 0.000 1.615 263 W HN -0.061 nan 8.180 nan 0.000 0.589 264 R N -0.222 120.425 120.500 0.246 0.000 2.148 264 R HA -0.065 4.273 4.340 -0.002 0.000 0.223 264 R C 2.009 178.454 176.300 0.241 0.000 1.088 264 R CA 1.400 57.672 56.100 0.288 0.000 0.985 264 R CB 0.012 30.472 30.300 0.267 0.000 0.880 264 R HN 0.062 nan 8.270 nan 0.000 0.451 265 S N -0.035 115.711 115.700 0.077 0.000 2.368 265 S HA -0.143 4.326 4.470 -0.002 0.000 0.225 265 S C 1.430 175.915 174.600 -0.193 0.000 1.030 265 S CA 1.203 59.324 58.200 -0.131 0.000 0.999 265 S CB -0.249 62.803 63.200 -0.247 0.000 0.844 265 S HN 0.330 nan 8.310 nan 0.000 0.459 266 Y N 1.613 121.909 120.300 -0.007 0.000 2.373 266 Y HA 0.061 4.610 4.550 -0.002 0.000 0.293 266 Y C 2.506 178.329 175.900 -0.128 0.000 1.129 266 Y CA 0.354 58.416 58.100 -0.064 0.000 1.226 266 Y CB -0.687 37.734 38.460 -0.065 0.000 1.000 266 Y HN 0.262 nan 8.280 nan 0.000 0.549 267 A N -0.010 122.782 122.820 -0.047 0.000 1.873 267 A HA -0.160 4.159 4.320 -0.002 0.000 0.215 267 A C 2.191 179.582 177.584 -0.322 0.000 1.186 267 A CA 1.522 53.331 52.037 -0.379 0.000 0.616 267 A CB -1.113 17.614 19.000 -0.455 0.000 0.823 267 A HN 0.442 nan 8.150 nan 0.000 0.442 268 L N -0.196 120.912 121.223 -0.192 0.000 2.013 268 L HA -0.184 4.155 4.340 -0.002 0.000 0.212 268 L C 2.297 178.736 176.870 -0.718 0.000 1.073 268 L CA 1.980 56.491 54.840 -0.547 0.000 0.753 268 L CB -0.472 41.116 42.059 -0.784 0.000 0.890 268 L HN 0.390 nan 8.230 nan 0.000 0.432 269 L N -1.090 119.844 121.223 -0.481 0.000 1.989 269 L HA -0.274 4.064 4.340 -0.002 0.000 0.211 269 L C 2.577 179.363 176.870 -0.139 0.000 1.071 269 L CA 1.673 56.365 54.840 -0.246 0.000 0.749 269 L CB -0.790 41.199 42.059 -0.118 0.000 0.890 269 L HN 0.379 nan 8.230 nan 0.000 0.431 270 H N -0.409 118.484 119.070 -0.295 0.000 2.319 270 H HA -0.219 4.336 4.556 -0.003 0.000 0.297 270 H C 2.221 177.344 175.328 -0.342 0.000 1.097 270 H CA 2.218 58.068 56.048 -0.329 0.000 1.285 270 H CB -0.244 29.241 29.762 -0.461 0.000 1.368 270 H HN 0.225 nan 8.280 nan 0.000 0.495 271 I N -0.790 119.557 120.570 -0.370 0.000 2.194 271 I HA -0.359 3.810 4.170 -0.002 0.000 0.246 271 I C 1.906 177.988 176.117 -0.057 0.000 1.093 271 I CA 1.029 62.108 61.300 -0.369 0.000 1.355 271 I CB -0.293 37.476 38.000 -0.386 0.000 1.046 271 I HN 0.383 nan 8.210 nan 0.000 0.413 272 W N 0.624 121.794 121.300 -0.217 0.000 2.380 272 W HA -0.162 4.496 4.660 -0.004 0.000 0.317 272 W C 2.394 178.687 176.519 -0.377 0.000 1.196 272 W CA 0.947 58.073 57.345 -0.364 0.000 1.307 272 W CB -1.393 27.682 29.460 -0.641 0.000 1.157 272 W HN 0.161 nan 8.180 nan 0.000 0.483 273 Y N -1.048 119.387 120.300 0.226 0.000 2.461 273 Y HA 0.148 4.697 4.550 -0.003 0.000 0.277 273 Y C 0.960 176.868 175.900 0.014 0.000 1.182 273 Y CA 0.538 58.717 58.100 0.132 0.000 1.276 273 Y CB -0.287 38.244 38.460 0.119 0.000 1.087 273 Y HN -0.359 nan 8.280 nan 0.000 0.519 274 T N 1.104 115.713 114.554 0.092 0.000 2.801 274 T HA 0.118 4.467 4.350 -0.002 0.000 0.306 274 T C 0.951 175.741 174.700 0.149 0.000 1.020 274 T CA -0.370 61.781 62.100 0.085 0.000 0.948 274 T CB 0.441 69.329 68.868 0.034 0.000 0.962 274 T HN 0.199 nan 8.240 nan 0.000 0.465 275 E N 3.422 123.705 120.200 0.139 0.000 2.015 275 E HA -0.009 4.339 4.350 -0.002 0.000 0.191 275 E C 1.912 178.597 176.600 0.142 0.000 0.991 275 E CA 0.905 57.383 56.400 0.129 0.000 0.802 275 E CB -0.374 29.388 29.700 0.103 0.000 0.759 275 E HN 0.758 nan 8.360 nan 0.000 0.447 276 G N 0.301 109.184 108.800 0.139 0.000 3.332 276 G HA2 -0.010 3.948 3.960 -0.002 0.000 0.242 276 G HA3 -0.010 3.948 3.960 -0.002 0.000 0.242 276 G C -0.503 174.490 174.900 0.155 0.000 1.276 276 G CA -0.528 44.641 45.100 0.116 0.000 0.988 276 G HN 0.065 nan 8.290 nan 0.000 0.517 277 W N 1.261 122.573 121.300 0.021 0.000 2.331 277 W HA 0.576 5.235 4.660 -0.002 0.000 0.306 277 W C -0.099 176.425 176.519 0.008 0.000 1.162 277 W CA -0.780 56.580 57.345 0.025 0.000 1.232 277 W CB 0.791 30.268 29.460 0.029 0.000 1.235 277 W HN 0.029 nan 8.180 nan 0.000 0.479 278 Q N 8.199 127.573 119.800 -0.709 0.000 2.330 278 Q HA 0.311 4.650 4.340 -0.002 0.000 0.269 278 Q C -1.932 173.374 176.000 -1.156 0.000 1.022 278 Q CA -2.114 53.249 55.803 -0.734 0.000 0.796 278 Q CB 2.023 30.554 28.738 -0.345 0.000 1.271 278 Q HN 0.272 nan 8.270 nan 0.000 0.450 279 P HA -0.130 nan 4.420 nan 0.000 0.267 279 P C -0.799 176.373 177.300 -0.212 0.000 1.201 279 P CA 0.197 62.899 63.100 -0.663 0.000 0.775 279 P CB 0.666 32.248 31.700 -0.197 0.000 0.854 280 D N 2.141 122.619 120.400 0.130 0.000 2.344 280 D HA 0.039 4.677 4.640 -0.002 0.000 0.253 280 D C 0.964 177.354 176.300 0.150 0.000 1.255 280 D CA 0.272 54.361 54.000 0.149 0.000 0.894 280 D CB 0.772 41.708 40.800 0.226 0.000 1.067 280 D HN 0.476 nan 8.370 nan 0.000 0.492 281 E N 0.000 120.226 120.200 0.044 0.000 2.725 281 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 281 E CA 0.000 56.420 56.400 0.034 0.000 0.976 281 E CB 0.000 29.699 29.700 -0.002 0.000 0.812 281 E HN 0.000 nan 8.360 nan 0.000 0.440