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 3c8w_1_C DATA FIRST_RESID 6 DATA SEQUENCE SANSLEGVID NEFSXPAPRW LNTYPAGPYR FINREFFIIA YETDPDLLQA DATA SEQUENCE ILPPDXELLE PVVKFEFIRX PDSTGFGDYT ESGQVVPVRY KGEEGGFTIS DATA SEQUENCE XFLDCHAPIA GGREIWGFPX KLAKPKLFVE EDTLIGILKY GSIDIAIATX DATA SEQUENCE GYKHRPLDAE KVLESVKKPV FLLKNIPNVD GTPLVNQLTK TYLTDITVKG DATA SEQUENCE AWTGPGSLEL HPHALAPISN LYIKKIVSVS HFITDLTLPY GKVVADYLA 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 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.612 174.600 0.020 0.000 1.055 6 S CA 0.000 58.210 58.200 0.017 0.000 1.107 6 S CB 0.000 63.212 63.200 0.019 0.000 0.593 7 A N 3.389 126.222 122.820 0.020 0.000 2.590 7 A HA 0.774 5.094 4.320 -0.000 0.000 0.294 7 A C -1.947 175.650 177.584 0.022 0.000 1.046 7 A CA -0.885 51.167 52.037 0.024 0.000 0.684 7 A CB 1.127 20.139 19.000 0.020 0.000 1.279 7 A HN 0.537 nan 8.150 nan 0.000 0.415 8 N N 0.542 119.258 118.700 0.027 0.000 2.361 8 N HA 0.400 5.140 4.740 -0.000 0.000 0.302 8 N C 1.084 176.603 175.510 0.015 0.000 1.074 8 N CA 0.223 53.284 53.050 0.018 0.000 0.850 8 N CB 1.976 40.477 38.487 0.023 0.000 1.228 8 N HN 0.791 nan 8.380 nan 0.000 0.491 9 S N -0.376 115.326 115.700 0.003 0.000 2.481 9 S HA 0.014 4.484 4.470 -0.000 0.000 0.231 9 S C 1.488 176.088 174.600 0.001 0.000 0.996 9 S CA 0.135 58.335 58.200 0.001 0.000 0.942 9 S CB -0.775 62.421 63.200 -0.007 0.000 0.768 9 S HN 0.511 nan 8.310 nan 0.000 0.520 10 L N 0.536 121.755 121.223 -0.007 0.000 2.474 10 L HA 0.763 5.103 4.340 -0.000 0.000 0.259 10 L C 0.694 177.590 176.870 0.043 0.000 1.232 10 L CA 0.080 54.913 54.840 -0.012 0.000 0.821 10 L CB -1.602 40.413 42.059 -0.074 0.000 1.108 10 L HN 1.086 nan 8.230 nan 0.000 0.495 11 E N -0.047 120.195 120.200 0.069 0.000 2.607 11 E HA 0.509 4.859 4.350 -0.000 0.000 0.198 11 E C 0.316 176.978 176.600 0.103 0.000 1.224 11 E CA 0.708 57.183 56.400 0.124 0.000 0.467 11 E CB -1.022 28.732 29.700 0.090 0.000 0.816 11 E HN 2.593 nan 8.360 nan 0.000 0.446 12 G N -0.832 108.051 108.800 0.138 0.000 2.917 12 G HA2 0.456 4.416 3.960 -0.000 0.000 0.202 12 G HA3 0.456 4.416 3.960 -0.000 0.000 0.202 12 G C 1.361 176.381 174.900 0.200 0.000 1.302 12 G CA 1.306 46.561 45.100 0.257 0.000 0.685 12 G HN 1.672 nan 8.290 nan 0.000 0.914 13 V N 0.159 120.199 119.914 0.209 0.000 3.421 13 V HA 0.525 4.645 4.120 -0.000 0.000 0.316 13 V C 2.638 178.773 176.094 0.068 0.000 1.347 13 V CA 0.624 63.008 62.300 0.140 0.000 1.183 13 V CB -0.617 31.296 31.823 0.151 0.000 1.092 13 V HN 0.488 nan 8.190 nan 0.000 0.433 14 I N 0.496 121.099 120.570 0.055 0.000 2.315 14 I HA -0.020 4.150 4.170 -0.000 0.000 0.248 14 I C 1.484 177.603 176.117 0.003 0.000 1.117 14 I CA 2.088 63.404 61.300 0.027 0.000 1.404 14 I CB -0.629 37.385 38.000 0.023 0.000 1.071 14 I HN 0.509 nan 8.210 nan 0.000 0.419 15 D N 1.251 121.645 120.400 -0.010 0.000 2.468 15 D HA 0.227 4.867 4.640 -0.000 0.000 0.218 15 D C -0.384 175.899 176.300 -0.029 0.000 1.155 15 D CA -0.232 53.748 54.000 -0.034 0.000 0.924 15 D CB -0.307 40.460 40.800 -0.055 0.000 1.029 15 D HN 0.492 nan 8.370 nan 0.000 0.515 16 N N 3.238 121.924 118.700 -0.022 0.000 2.816 16 N HA 0.055 4.795 4.740 -0.000 0.000 0.236 16 N C 0.570 176.055 175.510 -0.041 0.000 1.076 16 N CA -0.301 52.747 53.050 -0.003 0.000 0.902 16 N CB 0.677 39.172 38.487 0.012 0.000 1.149 16 N HN 0.286 nan 8.380 nan 0.000 0.506 17 E N 1.037 121.192 120.200 -0.075 0.000 2.204 17 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 17 E C 0.058 176.349 176.600 -0.515 0.000 0.989 17 E CA 1.101 57.333 56.400 -0.280 0.000 0.824 17 E CB 0.086 29.588 29.700 -0.330 0.000 0.756 17 E HN 0.594 nan 8.360 nan 0.000 0.477 18 F N 0.090 120.031 119.950 -0.015 0.000 2.683 18 F HA 0.195 4.722 4.527 0.000 0.000 0.306 18 F C 0.656 176.435 175.800 -0.035 0.000 1.102 18 F CA -0.234 57.751 58.000 -0.024 0.000 1.244 18 F CB 0.402 39.390 39.000 -0.020 0.000 1.029 18 F HN -0.298 nan 8.300 nan 0.000 0.545 22 A N 2.178 125.013 122.820 0.025 0.000 2.664 22 A HA 0.650 4.970 4.320 -0.000 0.000 0.338 22 A C -2.347 175.260 177.584 0.039 0.000 1.280 22 A CA -0.831 51.224 52.037 0.029 0.000 0.809 22 A CB 0.223 19.237 19.000 0.023 0.000 1.114 22 A HN 0.086 nan 8.150 nan 0.000 0.479 23 P HA 0.342 nan 4.420 nan 0.000 0.276 23 P C -0.492 176.855 177.300 0.079 0.000 1.244 23 P CA -0.596 62.540 63.100 0.059 0.000 0.801 23 P CB 0.853 32.589 31.700 0.060 0.000 1.006 24 R N 1.120 121.664 120.500 0.074 0.000 2.265 24 R HA 0.094 4.434 4.340 -0.000 0.000 0.314 24 R C 0.778 177.161 176.300 0.138 0.000 1.053 24 R CA -0.482 55.678 56.100 0.100 0.000 0.931 24 R CB 0.150 30.482 30.300 0.054 0.000 1.024 24 R HN 0.618 nan 8.270 nan 0.000 0.457 25 W N 5.122 126.422 121.300 -0.001 0.000 2.358 25 W HA -0.116 4.544 4.660 -0.000 0.000 0.303 25 W C 0.050 176.568 176.519 -0.001 0.000 1.208 25 W CA 0.729 58.074 57.345 -0.000 0.000 1.274 25 W CB 0.094 29.555 29.460 0.002 0.000 1.138 25 W HN 0.416 nan 8.180 nan 0.000 0.515 26 L N 3.072 124.281 121.223 -0.023 0.000 2.261 26 L HA 0.312 4.652 4.340 -0.000 0.000 0.289 26 L C -0.601 176.175 176.870 -0.156 0.000 1.059 26 L CA -0.088 54.607 54.840 -0.242 0.000 0.816 26 L CB 0.050 42.088 42.059 -0.036 0.000 1.191 26 L HN -0.137 nan 8.230 nan 0.000 0.431 27 N N 2.735 121.307 118.700 -0.212 0.000 2.515 27 N HA 0.393 5.133 4.740 -0.000 0.000 0.279 27 N C 0.454 175.890 175.510 -0.123 0.000 1.164 27 N CA -0.247 52.704 53.050 -0.164 0.000 0.982 27 N CB 1.668 40.065 38.487 -0.150 0.000 1.170 27 N HN 0.611 nan 8.380 nan 0.000 0.474 28 T N -0.514 113.941 114.554 -0.165 0.000 2.978 28 T HA 0.128 4.478 4.350 -0.000 0.000 0.248 28 T C -0.646 174.117 174.700 0.106 0.000 1.018 28 T CA 0.604 62.688 62.100 -0.026 0.000 1.026 28 T CB 0.070 68.969 68.868 0.051 0.000 1.032 28 T HN 0.660 nan 8.240 nan 0.000 0.485 29 Y N 0.052 120.442 120.300 0.150 0.000 2.521 29 Y HA 0.690 5.240 4.550 -0.000 0.000 0.332 29 Y C -3.396 172.672 175.900 0.279 0.000 1.121 29 Y CA -3.174 55.070 58.100 0.241 0.000 1.037 29 Y CB 0.145 38.825 38.460 0.366 0.000 1.330 29 Y HN -0.216 nan 8.280 nan 0.000 0.452 30 P HA 0.510 nan 4.420 nan 0.000 0.279 30 P C -0.474 176.997 177.300 0.286 0.000 1.276 30 P CA -0.351 62.859 63.100 0.182 0.000 0.801 30 P CB 1.069 32.795 31.700 0.043 0.000 1.127 31 A N 0.211 122.967 122.820 -0.107 0.000 2.366 31 A HA 0.555 4.875 4.320 -0.000 0.000 0.249 31 A C 0.816 178.177 177.584 -0.372 0.000 1.084 31 A CA 0.263 52.168 52.037 -0.220 0.000 0.794 31 A CB -0.550 18.166 19.000 -0.474 0.000 1.034 31 A HN 0.642 nan 8.150 nan 0.000 0.491 32 G N -0.063 108.363 108.800 -0.623 0.000 2.606 32 G HA2 0.624 4.584 3.960 -0.000 0.000 0.262 32 G HA3 0.624 4.584 3.960 -0.000 0.000 0.262 32 G C -2.269 172.214 174.900 -0.695 0.000 1.394 32 G CA -1.060 43.186 45.100 -1.423 0.000 1.044 32 G HN 0.687 nan 8.290 nan 0.000 0.553 33 P HA 0.194 nan 4.420 nan 0.000 0.271 33 P C -1.610 175.314 177.300 -0.628 0.000 1.233 33 P CA 0.055 62.832 63.100 -0.539 0.000 0.789 33 P CB 0.427 32.004 31.700 -0.206 0.000 0.951 34 Y N -0.451 119.812 120.300 -0.062 0.000 2.328 34 Y HA 0.499 5.049 4.550 0.000 0.000 0.336 34 Y C 0.942 176.740 175.900 -0.171 0.000 0.960 34 Y CA -0.912 57.087 58.100 -0.169 0.000 1.134 34 Y CB 1.580 39.952 38.460 -0.147 0.000 1.166 34 Y HN 0.214 nan 8.280 nan 0.000 0.464 35 R N 2.640 123.052 120.500 -0.148 0.000 2.312 35 R HA 0.544 4.884 4.340 -0.000 0.000 0.311 35 R C -2.042 174.089 176.300 -0.283 0.000 1.004 35 R CA -0.876 55.168 56.100 -0.094 0.000 0.902 35 R CB 0.215 30.481 30.300 -0.056 0.000 1.073 35 R HN 0.516 nan 8.270 nan 0.000 0.457 36 F N 5.432 125.429 119.950 0.078 0.000 2.427 36 F HA 0.464 4.991 4.527 -0.000 0.000 0.348 36 F C -0.174 175.654 175.800 0.047 0.000 1.125 36 F CA -0.815 57.217 58.000 0.053 0.000 0.989 36 F CB 1.260 40.281 39.000 0.035 0.000 1.165 36 F HN 0.170 nan 8.300 nan 0.000 0.442 37 I N 4.064 124.732 120.570 0.164 0.000 2.377 37 I HA 0.239 4.408 4.170 -0.000 0.000 0.293 37 I C 0.181 176.370 176.117 0.120 0.000 0.987 37 I CA -0.742 60.632 61.300 0.123 0.000 1.185 37 I CB 1.303 39.347 38.000 0.073 0.000 1.341 37 I HN 0.613 nan 8.210 nan 0.000 0.455 38 N N 3.266 122.038 118.700 0.119 0.000 2.735 38 N HA -0.223 4.517 4.740 -0.000 0.000 0.248 38 N C 0.411 175.973 175.510 0.087 0.000 1.083 38 N CA 0.520 53.634 53.050 0.108 0.000 0.703 38 N CB -0.932 37.607 38.487 0.088 0.000 1.005 38 N HN 0.624 nan 8.380 nan 0.000 0.550 39 R N 1.478 122.036 120.500 0.097 0.000 2.399 39 R HA 0.085 4.425 4.340 -0.000 0.000 0.324 39 R C 0.020 176.321 176.300 0.002 0.000 1.030 39 R CA 0.267 56.350 56.100 -0.027 0.000 0.984 39 R CB 0.374 30.634 30.300 -0.067 0.000 0.961 39 R HN 0.219 nan 8.270 nan 0.000 0.433 40 E N 5.203 125.344 120.200 -0.100 0.000 2.129 40 E HA 0.196 4.546 4.350 -0.000 0.000 0.268 40 E C -1.424 175.123 176.600 -0.090 0.000 0.900 40 E CA -0.691 55.728 56.400 0.033 0.000 0.755 40 E CB 0.670 30.439 29.700 0.115 0.000 1.117 40 E HN 0.406 nan 8.360 nan 0.000 0.410 41 F N 4.310 124.117 119.950 -0.237 0.000 2.436 41 F HA 0.418 4.945 4.527 -0.000 0.000 0.340 41 F C -0.419 175.328 175.800 -0.088 0.000 1.113 41 F CA -0.882 56.903 58.000 -0.358 0.000 1.022 41 F CB 1.076 39.436 39.000 -1.066 0.000 1.128 41 F HN 0.389 nan 8.300 nan 0.000 0.466 42 F N 5.634 125.637 119.950 0.088 0.000 2.499 42 F HA 0.711 5.238 4.527 -0.000 0.000 0.333 42 F C -1.369 174.556 175.800 0.208 0.000 1.138 42 F CA -2.137 55.939 58.000 0.127 0.000 0.945 42 F CB 0.658 39.686 39.000 0.046 0.000 1.181 42 F HN 0.304 nan 8.300 nan 0.000 0.435 43 I N 7.527 128.219 120.570 0.203 0.000 2.466 43 I HA 0.426 4.596 4.170 -0.000 0.000 0.289 43 I C -0.849 175.318 176.117 0.082 0.000 1.026 43 I CA -0.662 60.696 61.300 0.097 0.000 1.078 43 I CB 2.321 40.450 38.000 0.215 0.000 1.249 43 I HN 0.430 nan 8.210 nan 0.000 0.429 44 I N 5.446 126.042 120.570 0.043 0.000 2.411 44 I HA 0.471 4.641 4.170 -0.000 0.000 0.284 44 I C 0.180 176.424 176.117 0.212 0.000 1.012 44 I CA -0.488 60.879 61.300 0.112 0.000 1.119 44 I CB 1.751 39.776 38.000 0.041 0.000 1.261 44 I HN 0.614 nan 8.210 nan 0.000 0.448 45 A N 7.329 130.252 122.820 0.172 0.000 2.301 45 A HA 0.676 4.996 4.320 -0.000 0.000 0.298 45 A C -0.993 176.698 177.584 0.179 0.000 1.185 45 A CA -0.142 51.969 52.037 0.123 0.000 0.830 45 A CB 0.320 19.362 19.000 0.070 0.000 1.112 45 A HN 0.685 nan 8.150 nan 0.000 0.508 46 Y N -0.402 119.922 120.300 0.041 0.000 2.553 46 Y HA 0.681 5.231 4.550 -0.000 0.000 0.347 46 Y C -0.389 175.514 175.900 0.006 0.000 1.019 46 Y CA -1.192 56.920 58.100 0.021 0.000 1.032 46 Y CB 1.035 39.500 38.460 0.009 0.000 1.284 46 Y HN 0.633 nan 8.280 nan 0.000 0.466 47 E N 1.642 121.917 120.200 0.126 0.000 2.354 47 E HA 0.377 4.727 4.350 -0.000 0.000 0.269 47 E C -0.699 175.946 176.600 0.075 0.000 1.036 47 E CA -0.134 56.289 56.400 0.038 0.000 0.876 47 E CB 1.694 31.424 29.700 0.051 0.000 1.009 47 E HN 0.775 nan 8.360 nan 0.000 0.416 48 T N 0.996 115.511 114.554 -0.066 0.000 2.669 48 T HA 0.100 4.450 4.350 -0.000 0.000 0.283 48 T C -1.473 173.094 174.700 -0.221 0.000 1.019 48 T CA -0.761 61.226 62.100 -0.188 0.000 1.039 48 T CB 1.331 70.080 68.868 -0.199 0.000 1.374 48 T HN 0.398 nan 8.240 nan 0.000 0.523 49 D N 1.585 121.759 120.400 -0.378 0.000 2.339 49 D HA 0.285 4.925 4.640 -0.000 0.000 0.256 49 D C -1.218 175.024 176.300 -0.097 0.000 1.214 49 D CA -1.982 51.919 54.000 -0.165 0.000 0.877 49 D CB 1.445 42.183 40.800 -0.103 0.000 1.111 49 D HN 0.146 nan 8.370 nan 0.000 0.478 50 P HA -0.116 nan 4.420 nan 0.000 0.222 50 P C 0.330 177.614 177.300 -0.027 0.000 1.147 50 P CA 0.751 63.828 63.100 -0.039 0.000 0.790 50 P CB 0.474 32.160 31.700 -0.024 0.000 0.780 51 D N -0.313 120.079 120.400 -0.013 0.000 2.194 51 D HA -0.005 4.635 4.640 -0.000 0.000 0.204 51 D C 2.177 178.477 176.300 -0.001 0.000 0.964 51 D CA 0.676 54.675 54.000 -0.002 0.000 0.846 51 D CB -0.531 40.278 40.800 0.014 0.000 0.962 51 D HN 0.218 nan 8.370 nan 0.000 0.490 52 L N 0.179 121.399 121.223 -0.003 0.000 2.056 52 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 52 L C 2.476 179.345 176.870 -0.002 0.000 1.078 52 L CA 0.757 55.600 54.840 0.004 0.000 0.749 52 L CB -0.353 41.702 42.059 -0.006 0.000 0.901 52 L HN 0.011 nan 8.230 nan 0.000 0.433 53 L N -0.936 120.276 121.223 -0.019 0.000 2.072 53 L HA -0.173 4.167 4.340 -0.000 0.000 0.205 53 L C 2.669 179.531 176.870 -0.012 0.000 1.079 53 L CA 0.801 55.635 54.840 -0.011 0.000 0.752 53 L CB -0.407 41.634 42.059 -0.029 0.000 0.906 53 L HN 0.237 nan 8.230 nan 0.000 0.436 54 Q N 0.424 120.210 119.800 -0.024 0.000 2.135 54 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 54 Q C 2.172 178.150 176.000 -0.036 0.000 0.981 54 Q CA 1.954 57.735 55.803 -0.035 0.000 0.856 54 Q CB -0.252 28.468 28.738 -0.031 0.000 0.902 54 Q HN 0.459 nan 8.270 nan 0.000 0.425 55 A N -0.605 122.203 122.820 -0.020 0.000 2.067 55 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 55 A C 1.878 179.453 177.584 -0.015 0.000 1.158 55 A CA 1.050 53.077 52.037 -0.017 0.000 0.661 55 A CB -0.406 18.592 19.000 -0.002 0.000 0.801 55 A HN 0.463 nan 8.150 nan 0.000 0.452 56 I N -0.564 120.007 120.570 0.001 0.000 3.228 56 I HA 0.074 4.244 4.170 -0.000 0.000 0.279 56 I C 0.250 176.380 176.117 0.022 0.000 1.221 56 I CA -0.023 61.300 61.300 0.039 0.000 1.458 56 I CB 0.070 38.126 38.000 0.093 0.000 1.105 56 I HN 0.160 nan 8.210 nan 0.000 0.445 57 L N 3.045 124.223 121.223 -0.074 0.000 2.439 57 L HA 0.190 4.530 4.340 -0.000 0.000 0.269 57 L C -1.836 174.866 176.870 -0.280 0.000 1.179 57 L CA -1.607 53.072 54.840 -0.269 0.000 0.828 57 L CB -0.266 41.627 42.059 -0.275 0.000 1.106 57 L HN -0.067 nan 8.230 nan 0.000 0.467 58 P HA 0.284 nan 4.420 nan 0.000 0.276 58 P C -2.570 174.591 177.300 -0.232 0.000 1.261 58 P CA -1.557 61.342 63.100 -0.336 0.000 0.800 58 P CB -0.516 30.978 31.700 -0.343 0.000 1.066 59 P HA 0.016 nan 4.420 nan 0.000 0.264 59 P C -0.310 177.034 177.300 0.072 0.000 1.183 59 P CA 1.118 64.187 63.100 -0.051 0.000 0.763 59 P CB -0.034 31.660 31.700 -0.011 0.000 0.807 63 L N 2.384 123.573 121.223 -0.057 0.000 2.313 63 L HA 0.414 4.754 4.340 -0.000 0.000 0.282 63 L C 1.055 177.908 176.870 -0.028 0.000 1.092 63 L CA 0.328 55.143 54.840 -0.042 0.000 0.831 63 L CB 0.206 42.241 42.059 -0.040 0.000 1.159 63 L HN 0.828 nan 8.230 nan 0.000 0.442 64 L N 3.518 124.731 121.223 -0.016 0.000 2.109 64 L HA -0.003 4.337 4.340 -0.000 0.000 0.207 64 L C 0.324 177.187 176.870 -0.011 0.000 1.086 64 L CA 0.903 55.738 54.840 -0.008 0.000 0.760 64 L CB -0.041 42.021 42.059 0.006 0.000 0.910 64 L HN 0.742 nan 8.230 nan 0.000 0.437 65 E N -1.560 118.631 120.200 -0.016 0.000 2.407 65 E HA 0.255 4.605 4.350 -0.000 0.000 0.279 65 E C -2.606 173.972 176.600 -0.036 0.000 1.012 65 E CA -1.917 54.470 56.400 -0.021 0.000 0.800 65 E CB 1.042 30.732 29.700 -0.016 0.000 1.276 65 E HN -0.258 nan 8.360 nan 0.000 0.452 66 P HA 0.151 nan 4.420 nan 0.000 0.220 66 P C -0.768 176.478 177.300 -0.091 0.000 1.806 66 P CA -0.069 62.996 63.100 -0.059 0.000 0.976 66 P CB 0.007 31.681 31.700 -0.044 0.000 1.952 67 V N 1.929 121.776 119.914 -0.112 0.000 2.709 67 V HA 0.322 4.442 4.120 -0.000 0.000 0.308 67 V C -0.008 175.935 176.094 -0.252 0.000 1.062 67 V CA -0.866 61.328 62.300 -0.176 0.000 0.901 67 V CB 2.998 34.760 31.823 -0.102 0.000 1.003 67 V HN -0.037 nan 8.190 nan 0.000 0.425 68 V N 4.542 124.151 119.914 -0.508 0.000 2.483 68 V HA 0.475 4.595 4.120 -0.000 0.000 0.295 68 V C -0.095 175.772 176.094 -0.379 0.000 1.035 68 V CA -0.952 61.049 62.300 -0.498 0.000 0.896 68 V CB 1.932 33.332 31.823 -0.706 0.000 0.986 68 V HN 0.771 nan 8.190 nan 0.000 0.447 69 K N 4.581 124.899 120.400 -0.136 0.000 2.281 69 K HA 0.412 4.732 4.320 -0.000 0.000 0.272 69 K C -1.074 175.551 176.600 0.041 0.000 1.048 69 K CA -0.299 55.983 56.287 -0.008 0.000 0.898 69 K CB 1.294 33.802 32.500 0.014 0.000 1.128 69 K HN 0.514 nan 8.250 nan 0.000 0.460 70 F N 3.926 123.894 119.950 0.029 0.000 2.411 70 F HA 0.090 4.617 4.527 -0.000 0.000 0.355 70 F C 0.379 176.131 175.800 -0.081 0.000 1.117 70 F CA -0.343 57.664 58.000 0.011 0.000 1.139 70 F CB 0.777 39.843 39.000 0.110 0.000 1.120 70 F HN 0.499 nan 8.300 nan 0.000 0.493 71 E N 4.652 124.654 120.200 -0.330 0.000 2.288 71 E HA 0.502 4.852 4.350 -0.000 0.000 0.268 71 E C -1.932 174.434 176.600 -0.391 0.000 0.885 71 E CA -0.784 55.499 56.400 -0.195 0.000 0.767 71 E CB 2.116 31.751 29.700 -0.108 0.000 1.220 71 E HN 0.401 nan 8.360 nan 0.000 0.427 72 F N 1.435 121.343 119.950 -0.071 0.000 2.520 72 F HA 0.537 5.064 4.527 -0.000 0.000 0.322 72 F C -0.292 175.463 175.800 -0.075 0.000 1.103 72 F CA -0.766 57.222 58.000 -0.020 0.000 0.926 72 F CB 1.768 40.826 39.000 0.097 0.000 1.154 72 F HN 0.356 nan 8.300 nan 0.000 0.453 73 I N 3.419 123.982 120.570 -0.012 0.000 2.512 73 I HA 0.441 4.611 4.170 -0.000 0.000 0.287 73 I C -0.352 175.648 176.117 -0.194 0.000 1.069 73 I CA -0.818 60.330 61.300 -0.254 0.000 1.056 73 I CB 2.058 39.725 38.000 -0.554 0.000 1.229 73 I HN 0.480 nan 8.210 nan 0.000 0.429 77 D N 0.874 121.295 120.400 0.034 0.000 2.411 77 D HA 0.397 5.037 4.640 -0.000 0.000 0.239 77 D C -1.354 174.947 176.300 0.003 0.000 1.307 77 D CA 0.023 54.043 54.000 0.034 0.000 0.930 77 D CB 0.813 41.634 40.800 0.035 0.000 1.395 77 D HN -0.078 nan 8.370 nan 0.000 0.536 78 S N 1.467 117.155 115.700 -0.020 0.000 2.659 78 S HA 0.441 4.911 4.470 -0.000 0.000 0.312 78 S C 0.108 174.618 174.600 -0.150 0.000 1.114 78 S CA -0.844 57.214 58.200 -0.236 0.000 1.063 78 S CB 1.343 64.517 63.200 -0.044 0.000 0.996 78 S HN 0.468 nan 8.310 nan 0.000 0.478 79 T N 0.387 114.803 114.554 -0.231 0.000 2.928 79 T HA 0.488 4.837 4.350 -0.000 0.000 0.305 79 T C 1.486 176.118 174.700 -0.113 0.000 1.035 79 T CA 0.425 62.448 62.100 -0.128 0.000 1.145 79 T CB 0.537 69.324 68.868 -0.135 0.000 0.963 79 T HN 1.325 nan 8.240 nan 0.000 0.545 80 G N 2.321 111.077 108.800 -0.073 0.000 2.417 80 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.233 80 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.233 80 G C 0.518 175.382 174.900 -0.060 0.000 1.103 80 G CA 0.476 45.511 45.100 -0.107 0.000 0.647 80 G HN 0.664 nan 8.290 nan 0.000 0.512 81 F N 1.458 121.464 119.950 0.093 0.000 2.622 81 F HA 0.500 5.027 4.527 0.000 0.000 0.288 81 F C 2.022 177.885 175.800 0.105 0.000 1.120 81 F CA 1.318 59.348 58.000 0.049 0.000 1.423 81 F CB 0.239 39.261 39.000 0.036 0.000 1.127 81 F HN 1.146 nan 8.300 nan 0.000 0.588 82 G N 0.113 109.114 108.800 0.335 0.000 2.443 82 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.209 82 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.209 82 G C -1.419 173.677 174.900 0.327 0.000 1.176 82 G CA -0.232 45.033 45.100 0.275 0.000 1.074 82 G HN 0.160 nan 8.290 nan 0.000 0.577 83 D N 0.470 121.060 120.400 0.317 0.000 2.440 83 D HA 0.624 5.264 4.640 -0.000 0.000 0.252 83 D C -0.421 176.053 176.300 0.291 0.000 1.180 83 D CA -0.343 53.785 54.000 0.214 0.000 0.894 83 D CB 0.348 41.221 40.800 0.122 0.000 1.111 83 D HN 0.843 nan 8.370 nan 0.000 0.544 84 Y N -0.499 119.835 120.300 0.058 0.000 2.840 84 Y HA 0.772 5.322 4.550 -0.000 0.000 0.324 84 Y C -1.097 174.819 175.900 0.027 0.000 1.378 84 Y CA -1.069 57.052 58.100 0.036 0.000 1.077 84 Y CB 0.863 39.332 38.460 0.015 0.000 1.361 84 Y HN 0.002 nan 8.280 nan 0.000 0.459 85 T N 1.314 115.990 114.554 0.203 0.000 2.900 85 T HA 0.477 4.827 4.350 -0.000 0.000 0.295 85 T C -1.648 173.135 174.700 0.138 0.000 1.044 85 T CA -0.780 61.371 62.100 0.085 0.000 0.995 85 T CB 2.210 71.153 68.868 0.125 0.000 1.072 85 T HN 0.720 nan 8.240 nan 0.000 0.473 86 E N 0.863 121.084 120.200 0.036 0.000 2.343 86 E HA 0.636 4.986 4.350 -0.000 0.000 0.270 86 E C -1.552 175.001 176.600 -0.078 0.000 0.895 86 E CA -0.566 55.824 56.400 -0.017 0.000 0.767 86 E CB 2.430 32.052 29.700 -0.129 0.000 1.248 86 E HN 0.582 nan 8.360 nan 0.000 0.440 87 S N 1.192 116.809 115.700 -0.139 0.000 2.564 87 S HA 0.933 5.403 4.470 -0.000 0.000 0.274 87 S C -0.685 173.719 174.600 -0.326 0.000 1.124 87 S CA 0.287 58.222 58.200 -0.441 0.000 0.869 87 S CB 1.498 64.287 63.200 -0.685 0.000 1.105 87 S HN 0.801 nan 8.310 nan 0.000 0.472 88 G N 1.753 110.160 108.800 -0.655 0.000 2.341 88 G HA2 0.433 4.393 3.960 -0.000 0.000 0.299 88 G HA3 0.433 4.393 3.960 -0.000 0.000 0.299 88 G C -2.326 172.130 174.900 -0.741 0.000 1.274 88 G CA -0.648 44.144 45.100 -0.513 0.000 0.853 88 G HN 0.683 nan 8.290 nan 0.000 0.493 89 Q N -0.629 118.932 119.800 -0.398 0.000 2.321 89 Q HA 0.638 4.978 4.340 -0.000 0.000 0.270 89 Q C -1.089 174.810 176.000 -0.167 0.000 1.032 89 Q CA -0.720 54.929 55.803 -0.256 0.000 0.784 89 Q CB 3.031 31.716 28.738 -0.087 0.000 1.264 89 Q HN 0.408 nan 8.270 nan 0.000 0.448 90 V N 2.626 122.468 119.914 -0.120 0.000 2.604 90 V HA 0.497 4.616 4.120 -0.000 0.000 0.305 90 V C -0.502 175.572 176.094 -0.033 0.000 1.043 90 V CA -0.825 61.434 62.300 -0.068 0.000 0.888 90 V CB 2.066 33.870 31.823 -0.033 0.000 0.995 90 V HN 0.508 nan 8.190 nan 0.000 0.429 91 V N 6.096 126.022 119.914 0.020 0.000 2.398 91 V HA 0.417 4.537 4.120 -0.000 0.000 0.286 91 V C -2.252 173.888 176.094 0.077 0.000 1.026 91 V CA -2.030 60.295 62.300 0.042 0.000 0.868 91 V CB 1.831 33.714 31.823 0.100 0.000 0.982 91 V HN 0.751 nan 8.190 nan 0.000 0.443 92 P HA 0.278 nan 4.420 nan 0.000 0.276 92 P C -0.690 176.637 177.300 0.046 0.000 1.243 92 P CA 0.187 63.318 63.100 0.051 0.000 0.768 92 P CB 1.351 33.065 31.700 0.023 0.000 0.856 93 V N 1.276 121.232 119.914 0.068 0.000 3.160 93 V HA 0.707 4.827 4.120 -0.000 0.000 0.310 93 V C -0.595 175.513 176.094 0.024 0.000 1.181 93 V CA -1.344 60.966 62.300 0.016 0.000 1.047 93 V CB 2.590 34.388 31.823 -0.041 0.000 1.068 93 V HN 0.481 nan 8.190 nan 0.000 0.441 94 R N 1.064 121.549 120.500 -0.025 0.000 2.480 94 R HA 0.588 4.928 4.340 -0.000 0.000 0.306 94 R C -2.334 173.933 176.300 -0.056 0.000 0.958 94 R CA -0.591 55.503 56.100 -0.010 0.000 0.861 94 R CB 1.746 32.041 30.300 -0.008 0.000 1.171 94 R HN 0.948 nan 8.270 nan 0.000 0.445 95 Y N 4.746 124.896 120.300 -0.249 0.000 2.329 95 Y HA 0.237 4.787 4.550 -0.000 0.000 0.328 95 Y C -0.657 175.173 175.900 -0.117 0.000 0.992 95 Y CA -0.787 57.115 58.100 -0.331 0.000 1.151 95 Y CB 1.173 39.137 38.460 -0.826 0.000 1.150 95 Y HN 0.673 nan 8.280 nan 0.000 0.450 96 K N 4.586 124.660 120.400 -0.544 0.000 3.077 96 K HA -0.220 4.100 4.320 -0.000 0.000 0.264 96 K C 0.869 177.393 176.600 -0.127 0.000 1.008 96 K CA 1.183 57.238 56.287 -0.385 0.000 0.740 96 K CB -1.768 30.449 32.500 -0.472 0.000 1.273 96 K HN 1.477 nan 8.250 nan 0.000 0.477 97 G N -0.517 108.237 108.800 -0.078 0.000 2.195 97 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.246 97 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.246 97 G C -0.105 174.821 174.900 0.044 0.000 0.984 97 G CA 0.476 45.567 45.100 -0.014 0.000 0.633 97 G HN 0.447 nan 8.290 nan 0.000 0.525 98 E N 0.926 121.185 120.200 0.097 0.000 2.151 98 E HA 0.479 4.829 4.350 -0.000 0.000 0.275 98 E C -0.256 176.473 176.600 0.215 0.000 0.936 98 E CA -0.547 55.965 56.400 0.185 0.000 0.777 98 E CB 0.759 30.637 29.700 0.298 0.000 1.108 98 E HN 0.464 nan 8.360 nan 0.000 0.401 99 E N 2.016 122.321 120.200 0.176 0.000 2.259 99 E HA 0.468 4.818 4.350 -0.000 0.000 0.281 99 E C -0.089 176.654 176.600 0.239 0.000 1.027 99 E CA -0.316 56.187 56.400 0.171 0.000 0.838 99 E CB 1.673 31.433 29.700 0.099 0.000 1.066 99 E HN 0.650 nan 8.360 nan 0.000 0.401 100 G N 1.321 110.299 108.800 0.297 0.000 2.677 100 G HA2 0.608 4.568 3.960 -0.000 0.000 0.283 100 G HA3 0.608 4.568 3.960 -0.000 0.000 0.283 100 G C -0.983 174.072 174.900 0.259 0.000 1.221 100 G CA -0.291 44.979 45.100 0.283 0.000 0.851 100 G HN 0.560 nan 8.290 nan 0.000 0.504 101 G N -1.247 107.711 108.800 0.262 0.000 2.524 101 G HA2 0.593 4.553 3.960 -0.000 0.000 0.310 101 G HA3 0.593 4.553 3.960 -0.000 0.000 0.310 101 G C -2.035 173.062 174.900 0.330 0.000 1.279 101 G CA -0.573 44.659 45.100 0.220 0.000 0.974 101 G HN 0.709 nan 8.290 nan 0.000 0.484 102 F N 1.929 121.930 119.950 0.084 0.000 2.445 102 F HA 0.516 5.043 4.527 -0.000 0.000 0.348 102 F C 0.244 176.048 175.800 0.007 0.000 1.125 102 F CA -0.732 57.299 58.000 0.051 0.000 0.983 102 F CB 1.759 40.761 39.000 0.002 0.000 1.198 102 F HN 0.338 nan 8.300 nan 0.000 0.436 103 T N 7.617 121.915 114.554 -0.426 0.000 2.794 103 T HA 0.264 4.614 4.350 -0.000 0.000 0.296 103 T C 1.500 175.845 174.700 -0.592 0.000 0.949 103 T CA -0.114 61.764 62.100 -0.368 0.000 1.101 103 T CB 0.616 69.388 68.868 -0.159 0.000 0.905 103 T HN 0.644 nan 8.240 nan 0.000 0.516 104 I N 0.410 120.753 120.570 -0.377 0.000 4.139 104 I HA 0.339 4.509 4.170 -0.000 0.000 0.320 104 I C 0.728 176.721 176.117 -0.206 0.000 1.290 104 I CA -0.382 60.739 61.300 -0.299 0.000 1.253 104 I CB 0.455 38.365 38.000 -0.150 0.000 1.122 104 I HN 0.567 nan 8.210 nan 0.000 0.421 108 L N 2.518 123.784 121.223 0.072 0.000 2.333 108 L HA 0.550 4.890 4.340 -0.000 0.000 0.263 108 L C 0.301 177.199 176.870 0.048 0.000 1.014 108 L CA -0.696 54.168 54.840 0.040 0.000 0.820 108 L CB 1.528 43.535 42.059 -0.087 0.000 1.352 108 L HN 0.601 nan 8.230 nan 0.000 0.421 109 D N -1.010 119.431 120.400 0.069 0.000 2.427 109 D HA 0.119 4.759 4.640 -0.000 0.000 0.224 109 D C -0.270 176.043 176.300 0.022 0.000 1.157 109 D CA -0.079 53.953 54.000 0.052 0.000 0.828 109 D CB 0.273 41.121 40.800 0.080 0.000 0.974 109 D HN 0.257 nan 8.370 nan 0.000 0.498 110 C N 0.390 119.657 119.300 -0.057 0.000 2.642 110 C HA 0.286 4.746 4.460 -0.000 0.000 0.344 110 C C 1.161 176.067 174.990 -0.141 0.000 1.110 110 C CA -0.671 58.283 59.018 -0.107 0.000 1.298 110 C CB 0.670 28.280 27.740 -0.218 0.000 1.827 110 C HN 0.519 nan 8.230 nan 0.000 0.467 111 H N 3.325 122.320 119.070 -0.125 0.000 2.395 111 H HA -0.040 4.516 4.556 -0.000 0.000 0.299 111 H C 1.832 177.097 175.328 -0.105 0.000 1.070 111 H CA 1.857 57.845 56.048 -0.101 0.000 1.356 111 H CB 0.437 30.176 29.762 -0.038 0.000 1.401 111 H HN 0.857 nan 8.280 nan 0.000 0.524 112 A N 2.046 124.764 122.820 -0.170 0.000 1.865 112 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 112 A C -0.173 177.194 177.584 -0.362 0.000 1.191 112 A CA 1.598 53.570 52.037 -0.108 0.000 0.623 112 A CB -1.407 17.683 19.000 0.150 0.000 0.826 112 A HN 0.477 nan 8.150 nan 0.000 0.444 113 P HA -0.051 nan 4.420 nan 0.000 0.226 113 P C 1.398 178.228 177.300 -0.783 0.000 1.153 113 P CA 0.760 63.072 63.100 -1.313 0.000 0.777 113 P CB -0.115 30.709 31.700 -1.460 0.000 0.794 114 I N 0.015 120.254 120.570 -0.552 0.000 2.193 114 I HA -0.158 4.012 4.170 -0.000 0.000 0.240 114 I C 2.545 178.465 176.117 -0.329 0.000 1.084 114 I CA 1.373 62.458 61.300 -0.359 0.000 1.365 114 I CB -0.782 37.106 38.000 -0.187 0.000 1.064 114 I HN -0.089 nan 8.210 nan 0.000 0.410 115 A N 0.906 123.448 122.820 -0.463 0.000 1.873 115 A HA -0.074 4.246 4.320 -0.000 0.000 0.215 115 A C 2.408 179.741 177.584 -0.419 0.000 1.186 115 A CA 1.748 53.601 52.037 -0.308 0.000 0.616 115 A CB -1.423 17.416 19.000 -0.269 0.000 0.823 115 A HN 0.449 nan 8.150 nan 0.000 0.442 116 G N -0.464 107.913 108.800 -0.705 0.000 2.446 116 G HA2 -0.007 3.952 3.960 -0.000 0.000 0.217 116 G HA3 -0.007 3.952 3.960 -0.000 0.000 0.217 116 G C 1.541 176.282 174.900 -0.265 0.000 1.168 116 G CA 1.315 45.839 45.100 -0.961 0.000 0.771 116 G HN 0.709 nan 8.290 nan 0.000 0.551 117 G N 0.346 109.087 108.800 -0.098 0.000 2.418 117 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.217 117 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.217 117 G C 1.975 177.071 174.900 0.326 0.000 1.158 117 G CA 0.800 46.100 45.100 0.333 0.000 0.771 117 G HN 0.446 nan 8.290 nan 0.000 0.545 118 R N 0.188 120.717 120.500 0.049 0.000 2.075 118 R HA 0.026 4.366 4.340 -0.000 0.000 0.232 118 R C 2.467 178.759 176.300 -0.013 0.000 1.126 118 R CA 1.411 57.526 56.100 0.025 0.000 0.963 118 R CB -0.169 30.117 30.300 -0.022 0.000 0.858 118 R HN 0.415 nan 8.270 nan 0.000 0.435 119 E N -0.112 120.033 120.200 -0.092 0.000 2.250 119 E HA 0.013 4.363 4.350 -0.000 0.000 0.192 119 E C 1.729 178.216 176.600 -0.189 0.000 0.986 119 E CA 0.466 56.798 56.400 -0.113 0.000 0.849 119 E CB 0.287 29.947 29.700 -0.067 0.000 0.797 119 E HN 0.285 nan 8.360 nan 0.000 0.482 120 I N -0.272 120.125 120.570 -0.289 0.000 2.490 120 I HA -0.095 4.075 4.170 -0.000 0.000 0.234 120 I C 1.981 177.852 176.117 -0.410 0.000 1.066 120 I CA 0.596 61.596 61.300 -0.500 0.000 1.405 120 I CB -0.131 37.268 38.000 -1.002 0.000 1.191 120 I HN 0.184 nan 8.210 nan 0.000 0.433 121 W N 0.556 121.867 121.300 0.018 0.000 2.576 121 W HA 0.226 4.886 4.660 -0.000 0.000 0.275 121 W C 1.338 177.726 176.519 -0.219 0.000 1.241 121 W CA 1.010 58.288 57.345 -0.112 0.000 1.328 121 W CB -0.427 28.885 29.460 -0.247 0.000 1.092 121 W HN 0.437 nan 8.180 nan 0.000 0.586 122 G N 0.145 108.982 108.800 0.062 0.000 2.141 122 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.195 122 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.195 122 G C -0.335 174.520 174.900 -0.076 0.000 1.012 122 G CA -0.779 44.307 45.100 -0.023 0.000 0.696 122 G HN -0.012 nan 8.290 nan 0.000 0.508 123 F N 1.971 121.932 119.950 0.019 0.000 2.572 123 F HA 0.369 4.896 4.527 -0.000 0.000 0.370 123 F C -0.214 175.502 175.800 -0.141 0.000 1.103 123 F CA -0.928 57.014 58.000 -0.097 0.000 1.286 123 F CB 0.502 39.421 39.000 -0.134 0.000 1.105 123 F HN 0.041 nan 8.300 nan 0.000 0.583 127 L N 1.700 122.966 121.223 0.073 0.000 2.319 127 L HA 0.659 4.999 4.340 -0.000 0.000 0.280 127 L C -0.537 176.334 176.870 0.003 0.000 1.099 127 L CA 0.728 55.589 54.840 0.035 0.000 0.828 127 L CB 0.848 42.897 42.059 -0.016 0.000 1.150 127 L HN 0.834 nan 8.230 nan 0.000 0.442 128 A N 3.013 125.856 122.820 0.037 0.000 2.791 128 A HA 0.746 5.066 4.320 -0.000 0.000 0.309 128 A C -1.112 176.479 177.584 0.012 0.000 1.200 128 A CA -0.675 51.339 52.037 -0.038 0.000 0.635 128 A CB 1.201 20.252 19.000 0.084 0.000 1.393 128 A HN 0.230 nan 8.150 nan 0.000 0.557 129 K N 2.022 122.435 120.400 0.022 0.000 2.679 129 K HA 0.517 4.837 4.320 -0.000 0.000 0.188 129 K C -3.167 173.503 176.600 0.117 0.000 1.055 129 K CA -1.305 55.014 56.287 0.054 0.000 1.006 129 K CB 0.887 33.401 32.500 0.023 0.000 1.317 129 K HN 0.637 nan 8.250 nan 0.000 0.584 130 P HA 0.354 nan 4.420 nan 0.000 0.279 130 P C -0.565 176.890 177.300 0.258 0.000 1.239 130 P CA -0.430 62.835 63.100 0.275 0.000 0.789 130 P CB 0.967 32.827 31.700 0.266 0.000 0.933 131 K N 2.115 122.696 120.400 0.301 0.000 2.443 131 K HA 0.560 4.880 4.320 -0.000 0.000 0.252 131 K C -0.870 175.868 176.600 0.230 0.000 0.933 131 K CA -0.760 55.676 56.287 0.248 0.000 0.792 131 K CB 2.016 34.644 32.500 0.213 0.000 1.185 131 K HN 0.466 nan 8.250 nan 0.000 0.425 132 L N 4.156 125.513 121.223 0.223 0.000 2.356 132 L HA 0.883 5.223 4.340 -0.000 0.000 0.277 132 L C -1.177 175.816 176.870 0.204 0.000 0.996 132 L CA -0.420 54.474 54.840 0.090 0.000 0.822 132 L CB 0.740 42.855 42.059 0.093 0.000 1.256 132 L HN 0.799 nan 8.230 nan 0.000 0.413 133 F N 3.029 122.915 119.950 -0.107 0.000 2.773 133 F HA 0.771 5.298 4.527 -0.000 0.000 0.314 133 F C -1.716 174.010 175.800 -0.123 0.000 1.160 133 F CA -1.267 56.679 58.000 -0.090 0.000 0.920 133 F CB 0.964 39.921 39.000 -0.071 0.000 1.323 133 F HN 0.092 nan 8.300 nan 0.000 0.457 134 V N 1.384 121.325 119.914 0.045 0.000 2.435 134 V HA 0.519 4.639 4.120 -0.000 0.000 0.290 134 V C -0.786 175.317 176.094 0.014 0.000 1.030 134 V CA -0.539 61.700 62.300 -0.102 0.000 0.881 134 V CB 1.451 33.171 31.823 -0.171 0.000 0.983 134 V HN 0.845 nan 8.190 nan 0.000 0.445 135 E N 3.646 123.806 120.200 -0.067 0.000 2.279 135 E HA 0.566 4.916 4.350 -0.000 0.000 0.252 135 E C -0.137 176.419 176.600 -0.074 0.000 0.894 135 E CA -0.495 55.907 56.400 0.004 0.000 0.785 135 E CB 1.623 31.392 29.700 0.115 0.000 1.237 135 E HN 0.606 nan 8.360 nan 0.000 0.418 136 E N 2.126 122.271 120.200 -0.091 0.000 3.247 136 E HA -0.322 4.028 4.350 -0.000 0.000 0.424 136 E C 0.260 176.762 176.600 -0.164 0.000 1.544 136 E CA 2.504 58.838 56.400 -0.109 0.000 1.208 136 E CB -0.996 28.666 29.700 -0.062 0.000 1.473 136 E HN 0.897 nan 8.360 nan 0.000 0.472 137 D N 0.454 120.795 120.400 -0.099 0.000 2.388 137 D HA 0.147 4.787 4.640 -0.000 0.000 0.221 137 D C -0.374 175.912 176.300 -0.023 0.000 1.133 137 D CA 0.261 54.228 54.000 -0.055 0.000 0.831 137 D CB 0.096 40.909 40.800 0.021 0.000 0.962 137 D HN 0.164 nan 8.370 nan 0.000 0.502 138 T N 0.959 115.455 114.554 -0.096 0.000 2.824 138 T HA 0.398 4.748 4.350 -0.000 0.000 0.282 138 T C -0.615 173.951 174.700 -0.223 0.000 0.993 138 T CA -0.745 61.273 62.100 -0.136 0.000 0.967 138 T CB 2.102 70.885 68.868 -0.141 0.000 0.960 138 T HN 0.017 nan 8.240 nan 0.000 0.441 139 L N 4.584 125.630 121.223 -0.295 0.000 2.290 139 L HA 0.619 4.958 4.340 -0.000 0.000 0.284 139 L C -1.054 175.454 176.870 -0.602 0.000 1.078 139 L CA -0.108 54.430 54.840 -0.503 0.000 0.815 139 L CB -0.030 41.573 42.059 -0.760 0.000 1.162 139 L HN 0.604 nan 8.230 nan 0.000 0.435 140 I N 4.214 124.366 120.570 -0.696 0.000 2.545 140 I HA 0.587 4.757 4.170 -0.000 0.000 0.292 140 I C 0.224 175.922 176.117 -0.698 0.000 1.040 140 I CA -0.671 60.216 61.300 -0.689 0.000 1.068 140 I CB 2.120 39.510 38.000 -1.016 0.000 1.251 140 I HN 0.710 nan 8.210 nan 0.000 0.424 141 G N 6.512 114.968 108.800 -0.573 0.000 2.544 141 G HA2 0.775 4.735 3.960 -0.000 0.000 0.313 141 G HA3 0.775 4.735 3.960 -0.000 0.000 0.313 141 G C -1.041 173.383 174.900 -0.793 0.000 1.316 141 G CA -0.341 44.024 45.100 -1.225 0.000 0.944 141 G HN 0.453 nan 8.290 nan 0.000 0.489 142 I N 2.376 122.775 120.570 -0.286 0.000 2.418 142 I HA 0.277 4.447 4.170 -0.000 0.000 0.287 142 I C -0.967 175.374 176.117 0.373 0.000 1.008 142 I CA -0.872 60.506 61.300 0.131 0.000 1.104 142 I CB 2.271 40.371 38.000 0.166 0.000 1.264 142 I HN 0.258 nan 8.210 nan 0.000 0.438 143 L N 7.831 129.316 121.223 0.437 0.000 2.276 143 L HA 0.463 4.803 4.340 -0.000 0.000 0.286 143 L C -0.395 176.559 176.870 0.139 0.000 1.024 143 L CA -0.092 54.929 54.840 0.302 0.000 0.826 143 L CB 0.716 42.901 42.059 0.210 0.000 1.211 143 L HN 0.496 nan 8.230 nan 0.000 0.422 144 K N 4.255 124.718 120.400 0.105 0.000 2.182 144 K HA 0.337 4.657 4.320 -0.000 0.000 0.262 144 K C -1.877 174.747 176.600 0.040 0.000 0.957 144 K CA -0.687 55.641 56.287 0.069 0.000 0.842 144 K CB 1.174 33.708 32.500 0.058 0.000 1.099 144 K HN 0.590 nan 8.250 nan 0.000 0.438 145 Y N 4.370 124.619 120.300 -0.085 0.000 2.447 145 Y HA 0.315 4.865 4.550 -0.000 0.000 0.325 145 Y C 0.429 176.291 175.900 -0.063 0.000 0.976 145 Y CA 0.692 58.704 58.100 -0.146 0.000 1.280 145 Y CB 0.995 39.246 38.460 -0.349 0.000 1.104 145 Y HN 1.001 nan 8.280 nan 0.000 0.486 146 G N 2.629 111.333 108.800 -0.159 0.000 2.596 146 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.304 146 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.304 146 G C 0.998 175.921 174.900 0.039 0.000 1.189 146 G CA 0.552 45.637 45.100 -0.025 0.000 0.986 146 G HN 0.620 nan 8.290 nan 0.000 0.548 147 S N 0.760 116.514 115.700 0.090 0.000 2.575 147 S HA 0.345 4.815 4.470 -0.000 0.000 0.215 147 S C 0.680 175.320 174.600 0.067 0.000 0.966 147 S CA 0.403 58.639 58.200 0.060 0.000 0.911 147 S CB 0.131 63.361 63.200 0.051 0.000 0.780 147 S HN 0.464 nan 8.310 nan 0.000 0.514 148 I N 2.488 123.131 120.570 0.122 0.000 2.339 148 I HA 0.338 4.508 4.170 -0.000 0.000 0.290 148 I C -0.596 175.574 176.117 0.087 0.000 0.994 148 I CA -1.135 60.234 61.300 0.115 0.000 1.191 148 I CB 0.957 39.102 38.000 0.241 0.000 1.343 148 I HN -0.122 nan 8.210 nan 0.000 0.458 149 D N 6.607 127.019 120.400 0.021 0.000 2.359 149 D HA 0.175 4.815 4.640 -0.000 0.000 0.250 149 D C 1.494 177.843 176.300 0.081 0.000 1.264 149 D CA 0.076 54.097 54.000 0.035 0.000 0.911 149 D CB 1.112 41.909 40.800 -0.005 0.000 1.056 149 D HN 0.548 nan 8.370 nan 0.000 0.499 150 I N -0.561 120.070 120.570 0.101 0.000 3.427 150 I HA 0.360 4.530 4.170 -0.000 0.000 0.288 150 I C 0.531 176.707 176.117 0.099 0.000 1.249 150 I CA -0.083 61.282 61.300 0.109 0.000 1.421 150 I CB 0.446 38.446 38.000 0.000 0.000 1.086 150 I HN 0.113 nan 8.210 nan 0.000 0.448 151 A N 1.428 124.317 122.820 0.115 0.000 2.517 151 A HA 0.797 5.117 4.320 -0.000 0.000 0.297 151 A C -1.379 176.296 177.584 0.150 0.000 1.050 151 A CA -0.350 51.714 52.037 0.044 0.000 0.694 151 A CB 1.336 20.317 19.000 -0.032 0.000 1.277 151 A HN 0.190 nan 8.150 nan 0.000 0.400 152 I N 1.321 121.919 120.570 0.048 0.000 2.478 152 I HA 0.657 4.827 4.170 -0.000 0.000 0.287 152 I C 0.243 176.343 176.117 -0.029 0.000 1.042 152 I CA -0.098 61.224 61.300 0.037 0.000 1.067 152 I CB 2.009 40.033 38.000 0.041 0.000 1.233 152 I HN 0.852 nan 8.210 nan 0.000 0.431 153 A N 3.927 126.732 122.820 -0.024 0.000 2.365 153 A HA 0.981 5.301 4.320 -0.000 0.000 0.318 153 A C -0.169 177.473 177.584 0.095 0.000 1.091 153 A CA -0.345 51.697 52.037 0.007 0.000 0.763 153 A CB 1.468 20.448 19.000 -0.032 0.000 1.248 153 A HN 0.710 nan 8.150 nan 0.000 0.442 157 Y N 3.380 123.544 120.300 -0.226 0.000 2.713 157 Y HA 0.230 4.780 4.550 -0.000 0.000 0.341 157 Y C 1.474 177.373 175.900 -0.002 0.000 1.167 157 Y CA 0.739 58.757 58.100 -0.137 0.000 1.503 157 Y CB 0.237 38.621 38.460 -0.126 0.000 1.199 157 Y HN 0.697 nan 8.280 nan 0.000 0.525 158 K N 4.363 124.478 120.400 -0.476 0.000 3.311 158 K HA -0.354 3.966 4.320 -0.000 0.000 0.270 158 K C 0.704 177.324 176.600 0.033 0.000 0.927 158 K CA 1.098 57.130 56.287 -0.425 0.000 0.706 158 K CB -1.184 30.589 32.500 -1.213 0.000 1.418 158 K HN 0.922 nan 8.250 nan 0.000 0.459 159 H N -0.439 118.625 119.070 -0.010 0.000 2.387 159 H HA -0.014 4.542 4.556 -0.000 0.000 0.299 159 H C 0.654 176.032 175.328 0.084 0.000 1.090 159 H CA 1.009 57.081 56.048 0.040 0.000 1.332 159 H CB 0.350 30.139 29.762 0.045 0.000 1.386 159 H HN 0.253 nan 8.280 nan 0.000 0.516 160 R N 0.017 120.676 120.500 0.265 0.000 2.740 160 R HA 0.277 4.617 4.340 -0.000 0.000 0.273 160 R C -2.767 173.687 176.300 0.257 0.000 0.998 160 R CA -1.933 54.293 56.100 0.209 0.000 0.900 160 R CB 2.364 32.756 30.300 0.153 0.000 1.223 160 R HN 0.026 nan 8.270 nan 0.000 0.466 161 P HA 0.243 nan 4.420 nan 0.000 0.278 161 P C -1.218 176.074 177.300 -0.013 0.000 1.258 161 P CA -0.527 62.605 63.100 0.052 0.000 0.811 161 P CB 0.975 32.670 31.700 -0.009 0.000 1.063 162 L N 1.437 122.584 121.223 -0.127 0.000 2.365 162 L HA 0.381 4.721 4.340 -0.000 0.000 0.273 162 L C -0.303 176.464 176.870 -0.172 0.000 1.000 162 L CA -0.687 54.090 54.840 -0.105 0.000 0.819 162 L CB 1.214 43.228 42.059 -0.074 0.000 1.284 162 L HN 0.259 nan 8.230 nan 0.000 0.418 163 D N 3.269 123.592 120.400 -0.129 0.000 2.402 163 D HA 0.067 4.707 4.640 -0.000 0.000 0.268 163 D C 0.959 177.147 176.300 -0.187 0.000 1.294 163 D CA 0.782 54.700 54.000 -0.137 0.000 0.945 163 D CB 1.346 42.086 40.800 -0.100 0.000 1.112 163 D HN 0.690 nan 8.370 nan 0.000 0.517 164 A N 4.181 126.877 122.820 -0.206 0.000 2.070 164 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 164 A C 1.912 179.372 177.584 -0.206 0.000 1.159 164 A CA 1.380 53.275 52.037 -0.237 0.000 0.656 164 A CB -0.257 18.610 19.000 -0.222 0.000 0.800 164 A HN 0.586 nan 8.150 nan 0.000 0.453 165 E N 0.275 120.381 120.200 -0.156 0.000 2.107 165 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 165 E C 2.109 178.625 176.600 -0.140 0.000 0.982 165 E CA 1.572 57.895 56.400 -0.129 0.000 0.809 165 E CB -0.153 29.491 29.700 -0.094 0.000 0.756 165 E HN 0.348 nan 8.360 nan 0.000 0.459 166 K N -0.705 119.607 120.400 -0.147 0.000 2.097 166 K HA 0.005 4.325 4.320 -0.000 0.000 0.205 166 K C 2.232 178.703 176.600 -0.214 0.000 1.050 166 K CA 0.936 57.136 56.287 -0.147 0.000 0.938 166 K CB -0.871 31.557 32.500 -0.120 0.000 0.718 166 K HN 0.142 nan 8.250 nan 0.000 0.442 167 V N 1.130 120.859 119.914 -0.308 0.000 2.343 167 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 167 V C 2.257 178.093 176.094 -0.431 0.000 1.051 167 V CA 1.856 63.846 62.300 -0.516 0.000 1.036 167 V CB -0.585 30.774 31.823 -0.772 0.000 0.654 167 V HN 0.312 nan 8.190 nan 0.000 0.451 168 L N 0.619 121.665 121.223 -0.296 0.000 2.046 168 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 168 L C 2.485 179.262 176.870 -0.154 0.000 1.077 168 L CA 2.170 56.889 54.840 -0.202 0.000 0.747 168 L CB -0.831 41.145 42.059 -0.138 0.000 0.896 168 L HN 0.308 nan 8.230 nan 0.000 0.432 169 E N -1.239 118.877 120.200 -0.140 0.000 2.110 169 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 169 E C 2.438 178.985 176.600 -0.087 0.000 0.988 169 E CA 1.043 57.388 56.400 -0.092 0.000 0.804 169 E CB -0.696 28.957 29.700 -0.077 0.000 0.745 169 E HN 0.740 nan 8.360 nan 0.000 0.458 170 S N -0.199 115.418 115.700 -0.138 0.000 2.355 170 S HA -0.138 4.332 4.470 -0.000 0.000 0.222 170 S C 2.115 176.649 174.600 -0.111 0.000 1.031 170 S CA 1.332 59.458 58.200 -0.125 0.000 0.993 170 S CB -0.269 62.820 63.200 -0.185 0.000 0.859 170 S HN 0.311 nan 8.310 nan 0.000 0.453 171 V N 1.834 121.646 119.914 -0.170 0.000 2.626 171 V HA -0.059 4.061 4.120 -0.000 0.000 0.252 171 V C 2.216 178.292 176.094 -0.031 0.000 1.067 171 V CA 1.535 63.761 62.300 -0.124 0.000 1.081 171 V CB -0.586 31.132 31.823 -0.176 0.000 0.686 171 V HN 0.445 nan 8.190 nan 0.000 0.468 172 K N 0.042 120.430 120.400 -0.021 0.000 2.432 172 K HA 0.005 4.325 4.320 -0.000 0.000 0.196 172 K C 0.688 177.349 176.600 0.102 0.000 1.038 172 K CA 0.270 56.581 56.287 0.040 0.000 0.986 172 K CB 0.027 32.536 32.500 0.016 0.000 0.782 172 K HN 0.469 nan 8.250 nan 0.000 0.485 173 K N 2.082 122.517 120.400 0.059 0.000 2.355 173 K HA 0.071 4.391 4.320 -0.000 0.000 0.270 173 K C -2.390 174.209 176.600 -0.000 0.000 1.003 173 K CA -1.602 54.729 56.287 0.074 0.000 0.957 173 K CB 0.197 32.730 32.500 0.054 0.000 0.939 173 K HN -0.083 nan 8.250 nan 0.000 0.482 174 P HA 0.005 nan 4.420 nan 0.000 0.272 174 P C -0.713 176.281 177.300 -0.509 0.000 1.223 174 P CA -0.236 62.504 63.100 -0.599 0.000 0.784 174 P CB 0.596 31.714 31.700 -0.969 0.000 0.923 175 V N 3.610 123.188 119.914 -0.560 0.000 2.311 175 V HA 0.261 4.381 4.120 -0.000 0.000 0.275 175 V C -0.051 175.776 176.094 -0.444 0.000 1.022 175 V CA -0.245 61.854 62.300 -0.336 0.000 0.830 175 V CB -0.386 31.311 31.823 -0.210 0.000 1.012 175 V HN 0.315 nan 8.190 nan 0.000 0.452 176 F N 5.683 125.594 119.950 -0.066 0.000 2.408 176 F HA 0.723 5.250 4.527 -0.000 0.000 0.344 176 F C 0.090 175.913 175.800 0.038 0.000 1.112 176 F CA -0.523 57.471 58.000 -0.011 0.000 1.096 176 F CB 1.260 40.285 39.000 0.041 0.000 1.129 176 F HN 0.211 nan 8.300 nan 0.000 0.486 177 L N 3.898 125.209 121.223 0.147 0.000 2.434 177 L HA 0.490 4.830 4.340 -0.000 0.000 0.260 177 L C -1.083 175.861 176.870 0.123 0.000 0.983 177 L CA -0.817 54.015 54.840 -0.014 0.000 0.820 177 L CB 2.542 44.432 42.059 -0.283 0.000 1.361 177 L HN 0.442 nan 8.230 nan 0.000 0.410 178 L N 2.894 124.194 121.223 0.129 0.000 2.260 178 L HA 0.369 4.709 4.340 -0.000 0.000 0.289 178 L C 0.070 176.969 176.870 0.049 0.000 1.057 178 L CA -0.160 54.767 54.840 0.146 0.000 0.811 178 L CB 0.990 43.165 42.059 0.193 0.000 1.184 178 L HN 0.470 nan 8.230 nan 0.000 0.429 179 K N 3.968 124.397 120.400 0.048 0.000 2.266 179 K HA 0.286 4.606 4.320 -0.000 0.000 0.274 179 K C -1.023 175.597 176.600 0.034 0.000 1.090 179 K CA -0.506 55.791 56.287 0.017 0.000 0.925 179 K CB 0.420 32.919 32.500 -0.003 0.000 1.225 179 K HN 0.473 nan 8.250 nan 0.000 0.458 180 N N 4.647 123.362 118.700 0.026 0.000 2.442 180 N HA 0.445 5.185 4.740 -0.000 0.000 0.274 180 N C -1.215 174.306 175.510 0.019 0.000 1.002 180 N CA -0.373 52.697 53.050 0.033 0.000 0.910 180 N CB 1.362 39.870 38.487 0.035 0.000 1.244 180 N HN 0.460 nan 8.380 nan 0.000 0.492 181 I N 2.595 123.176 120.570 0.018 0.000 2.534 181 I HA 0.407 4.577 4.170 -0.000 0.000 0.288 181 I C -2.402 173.724 176.117 0.015 0.000 1.077 181 I CA -2.046 59.262 61.300 0.013 0.000 1.051 181 I CB 3.093 41.096 38.000 0.004 0.000 1.234 181 I HN 0.212 nan 8.210 nan 0.000 0.425 182 P HA 0.208 nan 4.420 nan 0.000 0.276 182 P C -1.031 176.277 177.300 0.014 0.000 1.252 182 P CA -0.526 62.584 63.100 0.016 0.000 0.802 182 P CB 0.619 32.329 31.700 0.017 0.000 1.035 183 N N -0.362 118.346 118.700 0.014 0.000 2.483 183 N HA 0.036 4.776 4.740 -0.000 0.000 0.269 183 N C 1.067 176.584 175.510 0.013 0.000 1.209 183 N CA -0.269 52.788 53.050 0.012 0.000 0.969 183 N CB 0.532 39.026 38.487 0.012 0.000 1.173 183 N HN 0.076 nan 8.380 nan 0.000 0.475 184 V N 1.032 120.953 119.914 0.012 0.000 2.867 184 V HA -0.152 3.968 4.120 -0.000 0.000 0.260 184 V C 0.901 177.002 176.094 0.012 0.000 1.099 184 V CA 2.242 64.550 62.300 0.013 0.000 1.122 184 V CB -0.743 31.087 31.823 0.012 0.000 0.708 184 V HN 0.855 nan 8.190 nan 0.000 0.490 185 D N -1.018 119.389 120.400 0.011 0.000 2.328 185 D HA 0.210 4.850 4.640 -0.000 0.000 0.221 185 D C 1.493 177.800 176.300 0.012 0.000 1.072 185 D CA 0.797 54.804 54.000 0.011 0.000 0.850 185 D CB 0.133 40.938 40.800 0.010 0.000 0.922 185 D HN 0.580 nan 8.370 nan 0.000 0.516 186 G N 0.092 108.900 108.800 0.013 0.000 2.199 186 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.254 186 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.254 186 G C 0.576 175.484 174.900 0.014 0.000 0.982 186 G CA 0.663 45.771 45.100 0.014 0.000 0.632 186 G HN 0.807 nan 8.290 nan 0.000 0.529 187 T N -1.036 113.527 114.554 0.014 0.000 2.862 187 T HA 0.666 5.016 4.350 -0.000 0.000 0.276 187 T C -2.713 171.997 174.700 0.017 0.000 0.974 187 T CA -1.622 60.486 62.100 0.015 0.000 0.966 187 T CB 2.232 71.109 68.868 0.014 0.000 1.072 187 T HN 0.036 nan 8.240 nan 0.000 0.538 188 P HA 0.225 nan 4.420 nan 0.000 0.271 188 P C 0.070 177.383 177.300 0.021 0.000 1.216 188 P CA -0.431 62.684 63.100 0.024 0.000 0.771 188 P CB 0.655 32.374 31.700 0.031 0.000 0.864 189 L N 4.666 125.900 121.223 0.019 0.000 2.433 189 L HA 0.233 4.573 4.340 -0.000 0.000 0.200 189 L C -0.035 176.844 176.870 0.014 0.000 1.059 189 L CA 1.372 56.220 54.840 0.013 0.000 0.835 189 L CB 0.470 42.534 42.059 0.009 0.000 1.076 189 L HN 0.061 nan 8.230 nan 0.000 0.481 190 V N 1.118 121.043 119.914 0.017 0.000 2.638 190 V HA 0.399 4.519 4.120 -0.000 0.000 0.306 190 V C -0.863 175.255 176.094 0.040 0.000 1.052 190 V CA -0.619 61.692 62.300 0.017 0.000 0.885 190 V CB 1.499 33.323 31.823 0.003 0.000 0.999 190 V HN 0.354 nan 8.190 nan 0.000 0.424 191 N N 3.791 122.528 118.700 0.061 0.000 2.701 191 N HA 0.374 5.114 4.740 -0.000 0.000 0.258 191 N C -1.217 174.388 175.510 0.157 0.000 1.262 191 N CA -0.346 52.783 53.050 0.132 0.000 0.780 191 N CB 1.241 39.824 38.487 0.161 0.000 1.380 191 N HN 0.781 nan 8.380 nan 0.000 0.548 192 Q N 1.604 121.467 119.800 0.106 0.000 2.394 192 Q HA 0.436 4.776 4.340 -0.000 0.000 0.273 192 Q C -1.280 174.765 176.000 0.075 0.000 1.089 192 Q CA -0.914 54.889 55.803 0.001 0.000 0.812 192 Q CB 3.017 31.736 28.738 -0.030 0.000 1.353 192 Q HN 0.399 nan 8.270 nan 0.000 0.438 193 L N 1.965 123.179 121.223 -0.015 0.000 2.264 193 L HA 0.449 4.789 4.340 -0.000 0.000 0.289 193 L C -0.446 176.434 176.870 0.018 0.000 1.044 193 L CA 0.239 55.109 54.840 0.051 0.000 0.807 193 L CB 1.323 43.378 42.059 -0.006 0.000 1.192 193 L HN 0.768 nan 8.230 nan 0.000 0.425 194 T N 1.893 116.473 114.554 0.044 0.000 2.945 194 T HA 0.589 4.939 4.350 -0.000 0.000 0.286 194 T C -0.516 174.186 174.700 0.003 0.000 1.025 194 T CA -0.880 61.235 62.100 0.024 0.000 1.039 194 T CB 1.570 70.447 68.868 0.016 0.000 1.068 194 T HN 0.654 nan 8.240 nan 0.000 0.497 195 K N 0.987 121.353 120.400 -0.055 0.000 2.443 195 K HA 0.590 4.910 4.320 -0.000 0.000 0.252 195 K C -1.484 174.969 176.600 -0.245 0.000 0.933 195 K CA -0.521 55.592 56.287 -0.289 0.000 0.792 195 K CB 2.041 34.356 32.500 -0.308 0.000 1.185 195 K HN 0.822 nan 8.250 nan 0.000 0.425 196 T N 2.865 117.188 114.554 -0.385 0.000 2.912 196 T HA 0.407 4.757 4.350 -0.000 0.000 0.299 196 T C -1.677 172.815 174.700 -0.346 0.000 1.052 196 T CA -0.524 61.468 62.100 -0.180 0.000 0.996 196 T CB 0.604 69.489 68.868 0.029 0.000 1.070 196 T HN 0.368 nan 8.240 nan 0.000 0.465 197 Y N 1.629 121.935 120.300 0.010 0.000 2.350 197 Y HA 0.531 5.081 4.550 -0.000 0.000 0.338 197 Y C 0.249 176.171 175.900 0.036 0.000 0.961 197 Y CA -1.192 56.907 58.100 -0.001 0.000 1.100 197 Y CB 0.932 39.393 38.460 0.002 0.000 1.179 197 Y HN 0.399 nan 8.280 nan 0.000 0.454 198 L N 3.788 125.112 121.223 0.168 0.000 2.439 198 L HA 0.391 4.731 4.340 -0.000 0.000 0.269 198 L C 0.548 177.497 176.870 0.132 0.000 1.179 198 L CA -0.018 54.901 54.840 0.133 0.000 0.828 198 L CB 0.617 42.734 42.059 0.097 0.000 1.106 198 L HN 0.775 nan 8.230 nan 0.000 0.467 199 T N -2.906 111.721 114.554 0.122 0.000 2.887 199 T HA 0.327 4.677 4.350 -0.000 0.000 0.292 199 T C -0.435 174.315 174.700 0.085 0.000 1.087 199 T CA -0.844 61.311 62.100 0.092 0.000 1.009 199 T CB 1.762 70.683 68.868 0.087 0.000 1.203 199 T HN 0.602 nan 8.240 nan 0.000 0.518 200 D N 0.291 120.726 120.400 0.059 0.000 2.697 200 D HA -0.129 4.511 4.640 -0.000 0.000 0.235 200 D C -0.452 175.886 176.300 0.064 0.000 1.167 200 D CA 0.645 54.677 54.000 0.053 0.000 0.656 200 D CB -1.415 39.418 40.800 0.054 0.000 1.025 200 D HN 0.667 nan 8.370 nan 0.000 0.419 201 I N 0.177 120.779 120.570 0.054 0.000 2.396 201 I HA 0.194 4.364 4.170 -0.000 0.000 0.292 201 I C 0.845 176.983 176.117 0.035 0.000 0.999 201 I CA 0.062 61.396 61.300 0.057 0.000 1.310 201 I CB 1.498 39.521 38.000 0.037 0.000 1.404 201 I HN -0.209 nan 8.210 nan 0.000 0.496 202 T N 5.314 119.896 114.554 0.048 0.000 2.841 202 T HA 0.376 4.726 4.350 -0.000 0.000 0.285 202 T C -0.370 174.349 174.700 0.032 0.000 0.991 202 T CA -0.479 61.637 62.100 0.027 0.000 0.966 202 T CB 1.651 70.539 68.868 0.034 0.000 0.962 202 T HN 0.164 nan 8.240 nan 0.000 0.438 203 V N 5.016 124.921 119.914 -0.015 0.000 2.348 203 V HA 0.241 4.361 4.120 -0.000 0.000 0.270 203 V C 1.197 177.266 176.094 -0.043 0.000 1.037 203 V CA -0.356 61.925 62.300 -0.032 0.000 0.872 203 V CB 0.908 32.653 31.823 -0.130 0.000 1.002 203 V HN 0.834 nan 8.190 nan 0.000 0.464 204 K N 3.256 123.655 120.400 -0.000 0.000 2.361 204 K HA 0.321 4.641 4.320 -0.000 0.000 0.196 204 K C 0.840 177.403 176.600 -0.063 0.000 1.039 204 K CA 0.679 56.968 56.287 0.003 0.000 1.001 204 K CB 0.589 33.129 32.500 0.067 0.000 0.795 204 K HN 0.833 nan 8.250 nan 0.000 0.495 205 G N 0.014 108.701 108.800 -0.188 0.000 2.442 205 G HA2 0.544 4.504 3.960 -0.000 0.000 0.296 205 G HA3 0.544 4.504 3.960 -0.000 0.000 0.296 205 G C -2.013 172.300 174.900 -0.977 0.000 1.564 205 G CA -0.385 44.347 45.100 -0.614 0.000 0.828 205 G HN 0.107 nan 8.290 nan 0.000 0.571 206 A N 0.595 122.450 122.820 -1.609 0.000 2.566 206 A HA 0.893 5.213 4.320 -0.000 0.000 0.297 206 A C -1.675 175.235 177.584 -1.124 0.000 1.059 206 A CA -0.674 50.762 52.037 -1.001 0.000 0.691 206 A CB 1.272 20.010 19.000 -0.437 0.000 1.282 206 A HN 1.044 nan 8.150 nan 0.000 0.401 207 W N -0.056 121.269 121.300 0.042 0.000 3.074 207 W HA 0.688 5.348 4.660 -0.000 0.000 0.332 207 W C -0.202 176.374 176.519 0.094 0.000 1.253 207 W CA -0.355 57.012 57.345 0.037 0.000 1.180 207 W CB 1.957 31.405 29.460 -0.020 0.000 1.445 207 W HN 0.876 nan 8.180 nan 0.000 0.573 208 T N -0.467 114.272 114.554 0.308 0.000 2.831 208 T HA 0.873 5.223 4.350 -0.000 0.000 0.287 208 T C -0.457 174.344 174.700 0.169 0.000 1.070 208 T CA 0.179 62.410 62.100 0.218 0.000 1.010 208 T CB 1.984 70.948 68.868 0.160 0.000 1.264 208 T HN 0.914 nan 8.240 nan 0.000 0.532 209 G N 1.278 110.143 108.800 0.108 0.000 2.313 209 G HA2 0.496 4.456 3.960 -0.000 0.000 0.296 209 G HA3 0.496 4.456 3.960 -0.000 0.000 0.296 209 G C -3.253 171.643 174.900 -0.007 0.000 1.356 209 G CA -0.780 44.328 45.100 0.014 0.000 0.833 209 G HN 0.673 nan 8.290 nan 0.000 0.552 210 P HA 0.498 nan 4.420 nan 0.000 0.271 210 P C 0.191 177.480 177.300 -0.018 0.000 1.218 210 P CA 0.290 63.379 63.100 -0.018 0.000 0.780 210 P CB 1.627 33.315 31.700 -0.020 0.000 0.901 211 G N 0.168 108.991 108.800 0.039 0.000 2.694 211 G HA2 0.632 4.592 3.960 -0.000 0.000 0.290 211 G HA3 0.632 4.592 3.960 -0.000 0.000 0.290 211 G C -1.328 173.603 174.900 0.052 0.000 1.386 211 G CA -0.633 44.514 45.100 0.079 0.000 0.872 211 G HN 0.696 nan 8.290 nan 0.000 0.475 212 S N -1.095 114.638 115.700 0.055 0.000 2.556 212 S HA 0.802 5.272 4.470 -0.000 0.000 0.271 212 S C -1.722 172.859 174.600 -0.032 0.000 1.135 212 S CA -0.751 57.450 58.200 0.002 0.000 0.858 212 S CB 2.143 65.336 63.200 -0.012 0.000 1.114 212 S HN 1.278 nan 8.310 nan 0.000 0.468 213 L N 1.099 122.260 121.223 -0.103 0.000 2.455 213 L HA 0.734 5.074 4.340 -0.000 0.000 0.264 213 L C -1.058 175.671 176.870 -0.235 0.000 0.968 213 L CA -0.166 54.550 54.840 -0.207 0.000 0.827 213 L CB 1.969 43.836 42.059 -0.320 0.000 1.317 213 L HN 1.051 nan 8.230 nan 0.000 0.407 214 E N 4.318 124.373 120.200 -0.242 0.000 2.256 214 E HA 0.681 5.031 4.350 -0.000 0.000 0.268 214 E C -1.900 174.508 176.600 -0.320 0.000 0.877 214 E CA -0.598 55.646 56.400 -0.261 0.000 0.757 214 E CB 1.570 31.173 29.700 -0.162 0.000 1.183 214 E HN 0.670 nan 8.360 nan 0.000 0.418 215 L N 3.621 124.604 121.223 -0.400 0.000 2.354 215 L HA 0.592 4.932 4.340 -0.000 0.000 0.269 215 L C -0.404 176.197 176.870 -0.448 0.000 1.005 215 L CA -0.992 53.653 54.840 -0.325 0.000 0.819 215 L CB 1.954 43.864 42.059 -0.248 0.000 1.311 215 L HN 0.528 nan 8.230 nan 0.000 0.423 216 H N 0.771 119.818 119.070 -0.040 0.000 2.768 216 H HA 0.432 4.988 4.556 -0.000 0.000 0.371 216 H C -2.515 172.819 175.328 0.008 0.000 1.151 216 H CA -1.634 54.407 56.048 -0.013 0.000 1.165 216 H CB 2.583 32.343 29.762 -0.002 0.000 1.722 216 H HN 0.310 nan 8.280 nan 0.000 0.543 217 P HA 0.161 nan 4.420 nan 0.000 0.276 217 P C -0.464 176.902 177.300 0.110 0.000 1.244 217 P CA 0.113 63.264 63.100 0.085 0.000 0.801 217 P CB 1.607 33.336 31.700 0.048 0.000 1.006 218 H N -0.224 118.831 119.070 -0.025 0.000 3.137 218 H HA 0.304 4.860 4.556 -0.000 0.000 0.336 218 H C 0.341 175.624 175.328 -0.075 0.000 1.055 218 H CA -0.240 55.769 56.048 -0.064 0.000 1.349 218 H CB 2.023 31.698 29.762 -0.145 0.000 1.939 218 H HN 0.397 nan 8.280 nan 0.000 0.487 219 A N 4.337 127.152 122.820 -0.007 0.000 2.024 219 A HA -0.073 4.247 4.320 -0.000 0.000 0.220 219 A C 1.641 179.300 177.584 0.125 0.000 1.164 219 A CA 1.467 53.532 52.037 0.045 0.000 0.643 219 A CB -0.115 18.874 19.000 -0.017 0.000 0.806 219 A HN 0.561 nan 8.150 nan 0.000 0.451 220 L N -2.264 119.120 121.223 0.268 0.000 2.808 220 L HA 0.388 4.727 4.340 -0.000 0.000 0.246 220 L C 0.670 177.418 176.870 -0.202 0.000 1.153 220 L CA 0.388 55.258 54.840 0.049 0.000 0.956 220 L CB 0.385 42.504 42.059 0.099 0.000 1.270 220 L HN 0.316 nan 8.230 nan 0.000 0.528 221 A N 0.738 123.424 122.820 -0.222 0.000 3.300 221 A HA 0.478 4.798 4.320 -0.000 0.000 0.300 221 A C -2.401 175.173 177.584 -0.017 0.000 1.099 221 A CA -0.581 51.341 52.037 -0.193 0.000 0.846 221 A CB 0.067 18.675 19.000 -0.653 0.000 1.255 221 A HN -0.123 nan 8.150 nan 0.000 0.519 222 P HA 0.059 nan 4.420 nan 0.000 0.254 222 P C 1.209 178.567 177.300 0.098 0.000 1.631 222 P CA -0.112 63.031 63.100 0.072 0.000 0.861 222 P CB -0.830 30.909 31.700 0.065 0.000 1.663 223 I N -1.817 118.824 120.570 0.118 0.000 2.454 223 I HA -0.197 3.973 4.170 -0.000 0.000 0.254 223 I C 1.768 177.976 176.117 0.152 0.000 1.156 223 I CA 1.722 63.125 61.300 0.173 0.000 1.433 223 I CB -1.057 37.092 38.000 0.248 0.000 1.082 223 I HN 0.003 nan 8.210 nan 0.000 0.432 224 S N 1.236 116.993 115.700 0.095 0.000 2.507 224 S HA -0.087 4.383 4.470 -0.000 0.000 0.235 224 S C 1.555 176.220 174.600 0.107 0.000 0.988 224 S CA 0.897 59.136 58.200 0.064 0.000 0.944 224 S CB -0.759 62.455 63.200 0.023 0.000 0.762 224 S HN 0.498 nan 8.310 nan 0.000 0.526 225 N N 1.894 120.665 118.700 0.117 0.000 2.205 225 N HA 0.040 4.780 4.740 -0.000 0.000 0.186 225 N C 0.312 175.925 175.510 0.171 0.000 1.015 225 N CA 0.846 53.979 53.050 0.138 0.000 0.862 225 N CB -0.551 37.999 38.487 0.105 0.000 0.986 225 N HN 0.510 nan 8.380 nan 0.000 0.429 226 L N 2.372 123.684 121.223 0.149 0.000 2.422 226 L HA 0.188 4.528 4.340 -0.000 0.000 0.256 226 L C -0.425 176.555 176.870 0.184 0.000 1.202 226 L CA -0.827 54.086 54.840 0.122 0.000 1.119 226 L CB -0.887 41.264 42.059 0.153 0.000 1.383 226 L HN 0.152 nan 8.230 nan 0.000 0.411 227 Y N 0.616 120.996 120.300 0.133 0.000 2.457 227 Y HA 0.424 4.974 4.550 -0.000 0.000 0.341 227 Y C 0.191 176.143 175.900 0.086 0.000 1.240 227 Y CA -1.129 56.998 58.100 0.046 0.000 1.437 227 Y CB 0.225 38.693 38.460 0.013 0.000 1.328 227 Y HN 0.180 nan 8.280 nan 0.000 0.588 228 I N 4.131 124.756 120.570 0.092 0.000 2.301 228 I HA 0.179 4.349 4.170 -0.000 0.000 0.292 228 I C 0.708 176.919 176.117 0.156 0.000 1.046 228 I CA -0.232 61.052 61.300 -0.027 0.000 1.282 228 I CB 1.142 38.947 38.000 -0.325 0.000 1.409 228 I HN 0.774 nan 8.210 nan 0.000 0.484 229 K N 5.636 126.157 120.400 0.202 0.000 2.098 229 K HA 0.041 4.361 4.320 -0.000 0.000 0.203 229 K C 0.266 176.933 176.600 0.111 0.000 1.051 229 K CA 0.938 57.330 56.287 0.176 0.000 0.957 229 K CB 0.195 32.789 32.500 0.156 0.000 0.738 229 K HN 0.618 nan 8.250 nan 0.000 0.447 230 K N -0.363 120.108 120.400 0.119 0.000 2.642 230 K HA 0.278 4.598 4.320 -0.000 0.000 0.290 230 K C -1.397 175.275 176.600 0.121 0.000 1.006 230 K CA -0.726 55.614 56.287 0.088 0.000 0.869 230 K CB 0.829 33.371 32.500 0.070 0.000 1.499 230 K HN -0.165 nan 8.250 nan 0.000 0.403 231 I N 2.683 123.308 120.570 0.092 0.000 2.441 231 I HA 0.058 4.228 4.170 -0.000 0.000 0.287 231 I C 1.209 177.387 176.117 0.100 0.000 1.049 231 I CA -0.456 60.914 61.300 0.116 0.000 1.381 231 I CB 1.691 39.741 38.000 0.083 0.000 1.409 231 I HN 0.645 nan 8.210 nan 0.000 0.523 232 V N 2.106 122.084 119.914 0.106 0.000 3.621 232 V HA 0.294 4.414 4.120 -0.000 0.000 0.263 232 V C 0.456 176.596 176.094 0.077 0.000 1.272 232 V CA 0.595 62.941 62.300 0.077 0.000 1.080 232 V CB 0.179 32.036 31.823 0.058 0.000 0.816 232 V HN 0.757 nan 8.190 nan 0.000 0.451 233 S N -0.792 114.966 115.700 0.096 0.000 2.543 233 S HA 0.755 5.225 4.470 -0.000 0.000 0.274 233 S C -1.372 173.311 174.600 0.138 0.000 1.149 233 S CA -0.307 57.956 58.200 0.104 0.000 0.866 233 S CB 1.960 65.215 63.200 0.092 0.000 1.111 233 S HN 0.620 nan 8.310 nan 0.000 0.457 234 V N 2.148 122.157 119.914 0.158 0.000 2.525 234 V HA 0.788 4.908 4.120 -0.000 0.000 0.299 234 V C -0.528 175.724 176.094 0.262 0.000 1.034 234 V CA -0.418 62.013 62.300 0.217 0.000 0.863 234 V CB 1.536 33.477 31.823 0.197 0.000 0.999 234 V HN 1.006 nan 8.190 nan 0.000 0.423 235 S N 2.848 118.763 115.700 0.358 0.000 2.541 235 S HA 0.631 5.101 4.470 -0.000 0.000 0.280 235 S C -1.118 173.819 174.600 0.561 0.000 1.112 235 S CA -0.666 57.794 58.200 0.433 0.000 0.925 235 S CB 1.739 65.225 63.200 0.476 0.000 1.067 235 S HN 0.899 nan 8.310 nan 0.000 0.479 236 H N 1.978 121.300 119.070 0.419 0.000 2.689 236 H HA 0.639 5.195 4.556 -0.000 0.000 0.346 236 H C -1.728 173.892 175.328 0.487 0.000 1.037 236 H CA -1.019 55.232 56.048 0.339 0.000 1.234 236 H CB 0.769 30.653 29.762 0.204 0.000 1.572 236 H HN 0.642 nan 8.280 nan 0.000 0.524 237 F N 3.646 123.764 119.950 0.280 0.000 2.645 237 F HA 0.523 5.050 4.527 -0.000 0.000 0.310 237 F C -1.919 173.993 175.800 0.186 0.000 1.102 237 F CA -1.272 56.770 58.000 0.070 0.000 0.952 237 F CB 1.181 40.133 39.000 -0.080 0.000 1.326 237 F HN 0.360 nan 8.300 nan 0.000 0.456 238 I N 2.085 122.824 120.570 0.282 0.000 2.545 238 I HA 0.794 4.964 4.170 -0.000 0.000 0.292 238 I C -0.945 175.324 176.117 0.253 0.000 1.040 238 I CA -0.212 61.243 61.300 0.258 0.000 1.068 238 I CB 2.167 40.298 38.000 0.218 0.000 1.251 238 I HN 1.016 nan 8.210 nan 0.000 0.424 239 T N 1.633 116.352 114.554 0.274 0.000 2.896 239 T HA 0.583 4.933 4.350 -0.000 0.000 0.297 239 T C -1.337 173.480 174.700 0.196 0.000 1.108 239 T CA -0.896 61.348 62.100 0.241 0.000 1.004 239 T CB 1.862 70.933 68.868 0.338 0.000 1.159 239 T HN 0.397 nan 8.240 nan 0.000 0.499 240 D N 1.182 121.677 120.400 0.159 0.000 2.248 240 D HA 0.777 5.417 4.640 -0.000 0.000 0.246 240 D C -0.244 176.159 176.300 0.171 0.000 1.027 240 D CA -0.267 53.829 54.000 0.160 0.000 0.853 240 D CB 1.922 42.792 40.800 0.116 0.000 1.243 240 D HN 0.804 nan 8.370 nan 0.000 0.462 241 L N -1.742 119.612 121.223 0.218 0.000 2.892 241 L HA 0.722 5.062 4.340 -0.000 0.000 0.269 241 L C -0.872 176.168 176.870 0.284 0.000 1.058 241 L CA -0.690 54.277 54.840 0.212 0.000 0.923 241 L CB 1.652 43.829 42.059 0.197 0.000 1.518 241 L HN 0.111 nan 8.230 nan 0.000 0.402 242 T N 1.895 116.592 114.554 0.238 0.000 2.824 242 T HA 0.686 5.036 4.350 -0.000 0.000 0.282 242 T C -1.271 173.593 174.700 0.273 0.000 0.993 242 T CA -0.169 62.083 62.100 0.253 0.000 0.967 242 T CB 1.539 70.490 68.868 0.139 0.000 0.960 242 T HN 0.755 nan 8.240 nan 0.000 0.441 243 L N 7.212 128.663 121.223 0.380 0.000 2.264 243 L HA 0.572 4.912 4.340 -0.000 0.000 0.287 243 L C -2.490 174.588 176.870 0.346 0.000 1.039 243 L CA -1.778 53.256 54.840 0.324 0.000 0.829 243 L CB 0.683 42.962 42.059 0.367 0.000 1.211 243 L HN 0.333 nan 8.230 nan 0.000 0.427 244 P HA 0.289 nan 4.420 nan 0.000 0.307 244 P C -1.090 176.476 177.300 0.443 0.000 1.307 244 P CA -0.551 62.680 63.100 0.218 0.000 0.814 244 P CB 0.826 32.631 31.700 0.175 0.000 1.311 245 Y N -1.133 119.432 120.300 0.442 0.000 2.330 245 Y HA 0.467 5.017 4.550 -0.000 0.000 0.341 245 Y C 1.731 177.851 175.900 0.367 0.000 1.278 245 Y CA 1.026 59.369 58.100 0.405 0.000 1.453 245 Y CB -0.341 38.232 38.460 0.189 0.000 1.342 245 Y HN 0.495 nan 8.280 nan 0.000 0.590 246 G N -0.206 108.889 108.800 0.491 0.000 3.257 246 G HA2 0.583 4.543 3.960 -0.000 0.000 0.205 246 G HA3 0.583 4.543 3.960 -0.000 0.000 0.205 246 G C -1.442 173.572 174.900 0.189 0.000 1.234 246 G CA -0.743 44.549 45.100 0.320 0.000 0.918 246 G HN 0.384 nan 8.290 nan 0.000 0.602 247 K N -1.188 119.289 120.400 0.127 0.000 2.527 247 K HA 0.562 4.882 4.320 -0.000 0.000 0.260 247 K C -1.050 175.581 176.600 0.053 0.000 0.937 247 K CA -0.624 55.714 56.287 0.084 0.000 0.826 247 K CB 1.573 34.135 32.500 0.103 0.000 1.359 247 K HN 0.646 nan 8.250 nan 0.000 0.434 248 V N 4.061 123.992 119.914 0.029 0.000 2.508 248 V HA 0.124 4.244 4.120 -0.000 0.000 0.281 248 V C 1.512 177.622 176.094 0.026 0.000 1.041 248 V CA 0.524 62.829 62.300 0.009 0.000 1.016 248 V CB 1.044 32.855 31.823 -0.019 0.000 0.984 248 V HN 0.770 nan 8.190 nan 0.000 0.478 249 V N 1.841 121.777 119.914 0.036 0.000 3.621 249 V HA 0.733 4.853 4.120 -0.000 0.000 0.263 249 V C 0.609 176.729 176.094 0.043 0.000 1.272 249 V CA 0.682 63.035 62.300 0.090 0.000 1.080 249 V CB 0.149 32.101 31.823 0.216 0.000 0.816 249 V HN 0.913 nan 8.190 nan 0.000 0.451 250 A N 0.211 122.978 122.820 -0.089 0.000 2.566 250 A HA 0.690 5.010 4.320 -0.000 0.000 0.297 250 A C -2.042 175.247 177.584 -0.491 0.000 1.059 250 A CA -0.179 51.692 52.037 -0.277 0.000 0.691 250 A CB 1.866 20.679 19.000 -0.312 0.000 1.282 250 A HN 0.209 nan 8.150 nan 0.000 0.401 251 D N 1.257 121.374 120.400 -0.471 0.000 2.505 251 D HA 0.453 5.093 4.640 -0.000 0.000 0.250 251 D C -0.660 175.425 176.300 -0.358 0.000 1.164 251 D CA -0.167 53.617 54.000 -0.359 0.000 0.870 251 D CB 0.757 41.465 40.800 -0.153 0.000 1.160 251 D HN 0.383 nan 8.370 nan 0.000 0.549 252 Y N 2.416 122.723 120.300 0.011 0.000 2.490 252 Y HA 0.207 4.757 4.550 -0.000 0.000 0.281 252 Y C 1.727 177.631 175.900 0.007 0.000 1.174 252 Y CA 0.157 58.262 58.100 0.009 0.000 1.295 252 Y CB 0.242 38.705 38.460 0.005 0.000 1.062 252 Y HN 0.394 nan 8.280 nan 0.000 0.522 253 L N -1.172 120.099 121.223 0.081 0.000 2.590 253 L HA 0.342 4.682 4.340 -0.000 0.000 0.227 253 L C 1.435 178.322 176.870 0.029 0.000 1.099 253 L CA -0.163 54.712 54.840 0.058 0.000 0.872 253 L CB -0.223 41.862 42.059 0.042 0.000 1.088 253 L HN 0.106 nan 8.230 nan 0.000 0.479 254 A N 0.000 122.825 122.820 0.008 0.000 2.254 254 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 254 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 254 A CB 0.000 18.985 19.000 -0.025 0.000 0.831 254 A HN 0.000 nan 8.150 nan 0.000 0.486