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 2f9r_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADNRRPIWNL AHMVNAVAQI PDFLDLGANA LEADVTFKGS VPTYTYHGTP DATA SEQUENCE cDFGRDcIRW EYFNVFLKTL REYTTPGNAK YRDGFILFVL DLKTGSLSND DATA SEQUENCE QVRPAGENVA KELLQNYWNN GNNGGRAYVV LSLPDIGHYE FVRGFKEVLK DATA SEQUENCE KEGHEDLLEK VGYDFSGPYL PSLPTLDATH EAYKKAGVDG HIWLSDGLTN DATA SEQUENCE FSPLGDMARL KEAIKSRDSA NGFINKIYYW SVDKVSTTKA ALDVGVDGIM DATA SEQUENCE TNYPNVLIGV LKESGYNDKY RLATYDDNPW ETFKN 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.600 177.584 0.027 0.000 1.274 1 A CA 0.000 52.050 52.037 0.022 0.000 0.836 1 A CB 0.000 19.009 19.000 0.015 0.000 0.831 2 D N 1.918 122.339 120.400 0.035 0.000 2.339 2 D HA 0.198 4.838 4.640 -0.001 0.000 0.256 2 D C 0.476 176.824 176.300 0.079 0.000 1.214 2 D CA 0.232 54.254 54.000 0.036 0.000 0.877 2 D CB 0.677 41.490 40.800 0.022 0.000 1.111 2 D HN 0.409 nan 8.370 nan 0.000 0.478 3 N N 3.194 121.939 118.700 0.076 0.000 2.322 3 N HA -0.033 4.706 4.740 -0.001 0.000 0.194 3 N C -0.017 175.635 175.510 0.237 0.000 1.126 3 N CA -0.114 53.023 53.050 0.144 0.000 0.845 3 N CB 0.132 38.663 38.487 0.073 0.000 0.976 3 N HN 0.237 nan 8.380 nan 0.000 0.475 4 R N 0.564 121.117 120.500 0.089 0.000 2.457 4 R HA 0.254 4.594 4.340 -0.001 0.000 0.284 4 R C 0.111 176.208 176.300 -0.339 0.000 1.024 4 R CA -0.808 55.244 56.100 -0.080 0.000 1.025 4 R CB 1.600 31.830 30.300 -0.117 0.000 1.063 4 R HN 0.109 nan 8.270 nan 0.000 0.493 5 R N 3.881 123.948 120.500 -0.722 0.000 2.449 5 R HA 0.072 4.411 4.340 -0.001 0.000 0.296 5 R C -2.091 173.918 176.300 -0.486 0.000 1.047 5 R CA -1.204 54.151 56.100 -1.241 0.000 1.018 5 R CB 0.439 30.254 30.300 -0.808 0.000 0.962 5 R HN 0.339 nan 8.270 nan 0.000 0.428 6 P HA 0.088 nan 4.420 nan 0.000 0.276 6 P C -0.707 176.479 177.300 -0.190 0.000 1.235 6 P CA -0.037 62.898 63.100 -0.273 0.000 0.772 6 P CB 0.805 32.343 31.700 -0.270 0.000 0.871 7 I N 3.096 123.520 120.570 -0.243 0.000 2.474 7 I HA 0.309 4.478 4.170 -0.001 0.000 0.294 7 I C 0.318 176.336 176.117 -0.166 0.000 1.005 7 I CA -1.040 60.222 61.300 -0.064 0.000 1.113 7 I CB 1.178 39.154 38.000 -0.040 0.000 1.289 7 I HN 0.322 nan 8.210 nan 0.000 0.436 8 W N 4.749 126.038 121.300 -0.018 0.000 2.331 8 W HA 0.199 4.859 4.660 -0.001 0.000 0.306 8 W C 0.385 176.930 176.519 0.044 0.000 1.162 8 W CA -0.422 56.957 57.345 0.056 0.000 1.232 8 W CB 1.351 30.920 29.460 0.182 0.000 1.235 8 W HN 0.455 nan 8.180 nan 0.000 0.479 9 N N 4.633 123.425 118.700 0.153 0.000 2.678 9 N HA 0.243 4.982 4.740 -0.001 0.000 0.231 9 N C -1.261 174.323 175.510 0.124 0.000 1.038 9 N CA -0.195 52.916 53.050 0.102 0.000 0.932 9 N CB 0.135 38.646 38.487 0.040 0.000 1.176 9 N HN 0.258 nan 8.380 nan 0.000 0.511 10 L N 2.192 123.489 121.223 0.123 0.000 2.261 10 L HA 0.487 4.826 4.340 -0.001 0.000 0.289 10 L C 0.797 177.665 176.870 -0.003 0.000 1.059 10 L CA -0.716 54.172 54.840 0.081 0.000 0.816 10 L CB 1.057 43.155 42.059 0.064 0.000 1.191 10 L HN 0.393 nan 8.230 nan 0.000 0.431 11 A N 3.423 126.213 122.820 -0.050 0.000 2.491 11 A HA 0.055 4.374 4.320 -0.001 0.000 0.261 11 A C 0.024 177.429 177.584 -0.299 0.000 1.101 11 A CA -0.090 51.820 52.037 -0.212 0.000 0.772 11 A CB -0.372 18.418 19.000 -0.349 0.000 1.043 11 A HN 0.795 nan 8.150 nan 0.000 0.501 12 H N 3.205 122.038 119.070 -0.396 0.000 2.610 12 H HA 0.285 4.840 4.556 -0.001 0.000 0.336 12 H C 0.489 175.598 175.328 -0.364 0.000 1.087 12 H CA 0.127 55.987 56.048 -0.314 0.000 1.405 12 H CB 0.346 29.980 29.762 -0.213 0.000 1.460 12 H HN 0.868 nan 8.280 nan 0.000 0.538 13 M N 4.453 123.656 119.600 -0.662 0.000 2.399 13 M HA -0.198 4.282 4.480 -0.001 0.000 0.191 13 M C -1.747 174.305 176.300 -0.414 0.000 0.732 13 M CA 0.206 55.151 55.300 -0.592 0.000 0.512 13 M CB -0.878 31.189 32.600 -0.887 0.000 1.191 13 M HN 0.253 nan 8.290 nan 0.000 0.894 14 V N 3.518 123.230 119.914 -0.338 0.000 2.240 14 V HA 0.258 4.377 4.120 -0.001 0.000 0.265 14 V C 0.718 176.791 176.094 -0.035 0.000 1.073 14 V CA -0.355 61.809 62.300 -0.227 0.000 0.857 14 V CB 0.979 32.620 31.823 -0.303 0.000 1.114 14 V HN 0.632 nan 8.190 nan 0.000 0.469 15 N N 2.418 121.101 118.700 -0.028 0.000 2.250 15 N HA 0.240 4.980 4.740 -0.001 0.000 0.190 15 N C 0.602 176.171 175.510 0.098 0.000 1.116 15 N CA 0.266 53.256 53.050 -0.099 0.000 0.881 15 N CB 1.357 39.829 38.487 -0.025 0.000 1.006 15 N HN 0.640 nan 8.380 nan 0.000 0.491 16 A N 0.562 123.494 122.820 0.188 0.000 2.324 16 A HA 0.451 4.771 4.320 -0.001 0.000 0.330 16 A C 1.457 179.176 177.584 0.224 0.000 1.165 16 A CA -0.646 51.479 52.037 0.147 0.000 0.813 16 A CB 0.937 19.959 19.000 0.036 0.000 1.197 16 A HN -0.030 nan 8.150 nan 0.000 0.484 17 V N -0.097 119.899 119.914 0.136 0.000 2.626 17 V HA -0.067 4.052 4.120 -0.001 0.000 0.252 17 V C 2.160 178.269 176.094 0.026 0.000 1.067 17 V CA 2.187 64.505 62.300 0.028 0.000 1.081 17 V CB -1.484 30.326 31.823 -0.023 0.000 0.686 17 V HN 1.033 nan 8.190 nan 0.000 0.468 18 A N -0.044 122.791 122.820 0.026 0.000 2.024 18 A HA -0.230 4.089 4.320 -0.001 0.000 0.220 18 A C 2.226 179.826 177.584 0.026 0.000 1.164 18 A CA 2.012 54.061 52.037 0.020 0.000 0.643 18 A CB -0.554 18.448 19.000 0.004 0.000 0.806 18 A HN 0.683 nan 8.150 nan 0.000 0.451 19 Q N -0.781 119.064 119.800 0.074 0.000 2.311 19 Q HA 0.051 4.390 4.340 -0.001 0.000 0.203 19 Q C 1.815 177.908 176.000 0.155 0.000 0.954 19 Q CA 0.687 56.583 55.803 0.154 0.000 0.885 19 Q CB -0.203 28.719 28.738 0.307 0.000 0.963 19 Q HN 0.756 nan 8.270 nan 0.000 0.471 20 I N 1.804 122.368 120.570 -0.009 0.000 2.091 20 I HA -0.257 3.912 4.170 -0.001 0.000 0.239 20 I C -0.694 175.213 176.117 -0.351 0.000 1.061 20 I CA 1.301 62.458 61.300 -0.238 0.000 1.317 20 I CB -1.356 36.354 38.000 -0.483 0.000 1.031 20 I HN 0.178 nan 8.210 nan 0.000 0.401 21 P HA -0.132 nan 4.420 nan 0.000 0.218 21 P C 0.790 177.990 177.300 -0.166 0.000 1.149 21 P CA 1.557 64.487 63.100 -0.283 0.000 0.817 21 P CB -0.111 31.532 31.700 -0.094 0.000 0.785 22 D N -0.603 119.716 120.400 -0.134 0.000 2.117 22 D HA -0.114 4.526 4.640 -0.001 0.000 0.197 22 D C 1.861 178.015 176.300 -0.242 0.000 0.987 22 D CA 1.065 54.951 54.000 -0.190 0.000 0.829 22 D CB -0.922 39.727 40.800 -0.252 0.000 0.961 22 D HN 0.158 nan 8.370 nan 0.000 0.460 23 F N 0.609 120.470 119.950 -0.148 0.000 2.163 23 F HA 0.011 4.538 4.527 -0.001 0.000 0.297 23 F C 2.365 178.059 175.800 -0.177 0.000 1.094 23 F CA 0.538 58.451 58.000 -0.144 0.000 1.290 23 F CB -0.417 38.490 39.000 -0.155 0.000 1.017 23 F HN -0.087 nan 8.300 nan 0.000 0.483 24 L N -0.478 120.691 121.223 -0.090 0.000 2.083 24 L HA -0.220 4.119 4.340 -0.001 0.000 0.209 24 L C 1.935 178.746 176.870 -0.097 0.000 1.083 24 L CA 1.130 55.872 54.840 -0.165 0.000 0.752 24 L CB -0.712 41.161 42.059 -0.310 0.000 0.899 24 L HN 0.058 nan 8.230 nan 0.000 0.433 25 D N 0.339 120.680 120.400 -0.098 0.000 2.178 25 D HA -0.127 4.512 4.640 -0.001 0.000 0.201 25 D C 2.334 178.598 176.300 -0.059 0.000 0.980 25 D CA 1.088 55.043 54.000 -0.074 0.000 0.842 25 D CB -0.114 40.639 40.800 -0.079 0.000 0.948 25 D HN 0.287 nan 8.370 nan 0.000 0.472 26 L N -0.732 120.453 121.223 -0.063 0.000 2.362 26 L HA 0.030 4.369 4.340 -0.001 0.000 0.219 26 L C 1.655 178.522 176.870 -0.003 0.000 1.134 26 L CA 0.961 55.781 54.840 -0.034 0.000 0.807 26 L CB -0.096 41.942 42.059 -0.035 0.000 0.927 26 L HN 0.215 nan 8.230 nan 0.000 0.447 27 G N -1.178 107.617 108.800 -0.009 0.000 2.205 27 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.180 27 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.180 27 G C 0.326 175.228 174.900 0.002 0.000 1.004 27 G CA -0.255 44.842 45.100 -0.006 0.000 0.670 27 G HN 0.408 nan 8.290 nan 0.000 0.496 28 A N 0.789 123.617 122.820 0.014 0.000 2.511 28 A HA 0.503 4.822 4.320 -0.001 0.000 0.242 28 A C 1.239 178.826 177.584 0.005 0.000 1.069 28 A CA 0.932 52.981 52.037 0.020 0.000 0.763 28 A CB 0.171 19.184 19.000 0.023 0.000 1.001 28 A HN 1.015 nan 8.150 nan 0.000 0.498 29 N N 0.847 119.577 118.700 0.051 0.000 2.236 29 N HA 0.401 5.140 4.740 -0.001 0.000 0.196 29 N C -0.139 175.558 175.510 0.312 0.000 1.114 29 N CA 0.627 53.745 53.050 0.114 0.000 0.859 29 N CB 0.250 38.738 38.487 0.001 0.000 0.982 29 N HN 0.821 nan 8.380 nan 0.000 0.493 30 A N -0.155 122.822 122.820 0.261 0.000 2.609 30 A HA 0.732 5.051 4.320 -0.001 0.000 0.291 30 A C -1.698 176.007 177.584 0.200 0.000 1.096 30 A CA -0.851 51.429 52.037 0.405 0.000 0.684 30 A CB 0.911 20.169 19.000 0.430 0.000 1.282 30 A HN 0.273 nan 8.150 nan 0.000 0.412 31 L N -2.022 119.375 121.223 0.289 0.000 2.409 31 L HA 0.948 5.287 4.340 -0.001 0.000 0.255 31 L C -0.567 176.398 176.870 0.159 0.000 1.027 31 L CA -0.518 54.379 54.840 0.094 0.000 0.834 31 L CB 1.836 43.866 42.059 -0.049 0.000 1.426 31 L HN 0.703 nan 8.230 nan 0.000 0.411 32 E N 0.829 121.049 120.200 0.033 0.000 2.234 32 E HA 0.807 5.157 4.350 -0.001 0.000 0.266 32 E C -1.789 174.828 176.600 0.028 0.000 0.877 32 E CA -0.697 55.744 56.400 0.069 0.000 0.758 32 E CB 2.217 31.909 29.700 -0.013 0.000 1.170 32 E HN 1.068 nan 8.360 nan 0.000 0.415 33 A N 4.106 126.975 122.820 0.081 0.000 2.414 33 A HA 0.497 4.816 4.320 -0.001 0.000 0.306 33 A C -1.091 176.499 177.584 0.009 0.000 1.054 33 A CA -0.810 51.185 52.037 -0.070 0.000 0.724 33 A CB 1.157 19.955 19.000 -0.338 0.000 1.267 33 A HN 0.594 nan 8.150 nan 0.000 0.418 34 D N 1.900 122.282 120.400 -0.030 0.000 2.329 34 D HA 0.380 5.019 4.640 -0.001 0.000 0.232 34 D C -0.684 175.596 176.300 -0.034 0.000 1.088 34 D CA 0.036 54.048 54.000 0.021 0.000 0.835 34 D CB 1.877 42.691 40.800 0.023 0.000 1.078 34 D HN 0.152 nan 8.370 nan 0.000 0.495 35 V N 2.987 122.872 119.914 -0.048 0.000 2.333 35 V HA 0.186 4.305 4.120 -0.001 0.000 0.274 35 V C 0.961 176.960 176.094 -0.158 0.000 1.028 35 V CA -0.536 61.623 62.300 -0.235 0.000 0.851 35 V CB 1.100 32.652 31.823 -0.452 0.000 1.000 35 V HN 0.598 nan 8.190 nan 0.000 0.456 36 T N 2.118 116.577 114.554 -0.159 0.000 2.899 36 T HA 0.702 5.052 4.350 -0.001 0.000 0.284 36 T C -0.768 173.773 174.700 -0.266 0.000 1.004 36 T CA -0.331 61.762 62.100 -0.013 0.000 1.043 36 T CB 1.004 69.961 68.868 0.148 0.000 1.013 36 T HN 0.201 nan 8.240 nan 0.000 0.518 37 F N 0.495 120.422 119.950 -0.037 0.000 2.529 37 F HA 0.507 5.032 4.527 -0.002 0.000 0.320 37 F C 0.413 176.194 175.800 -0.031 0.000 1.118 37 F CA -1.031 56.944 58.000 -0.043 0.000 0.915 37 F CB 2.459 41.450 39.000 -0.016 0.000 1.161 37 F HN 0.552 nan 8.300 nan 0.000 0.445 38 K N 3.231 123.681 120.400 0.083 0.000 2.347 38 K HA 0.561 4.880 4.320 -0.001 0.000 0.262 38 K C 0.574 177.229 176.600 0.092 0.000 1.052 38 K CA 0.208 56.531 56.287 0.060 0.000 0.946 38 K CB 0.550 33.044 32.500 -0.011 0.000 1.220 38 K HN 0.877 nan 8.250 nan 0.000 0.450 39 G N 2.081 110.939 108.800 0.096 0.000 2.566 39 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.280 39 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.280 39 G C 0.538 175.528 174.900 0.150 0.000 1.225 39 G CA 0.214 45.362 45.100 0.081 0.000 0.966 39 G HN 0.523 nan 8.290 nan 0.000 0.560 40 S N -0.258 115.519 115.700 0.127 0.000 2.607 40 S HA 0.279 4.748 4.470 -0.001 0.000 0.224 40 S C 0.850 175.656 174.600 0.343 0.000 0.969 40 S CA 0.780 59.093 58.200 0.188 0.000 0.927 40 S CB 0.079 63.332 63.200 0.087 0.000 0.772 40 S HN 0.774 nan 8.310 nan 0.000 0.533 41 V N 5.098 125.161 119.914 0.248 0.000 2.385 41 V HA 0.247 4.366 4.120 -0.001 0.000 0.269 41 V C -2.275 173.778 176.094 -0.067 0.000 1.043 41 V CA -2.238 60.136 62.300 0.123 0.000 0.906 41 V CB 0.711 32.559 31.823 0.042 0.000 0.995 41 V HN 0.103 nan 8.190 nan 0.000 0.467 42 P HA 0.211 nan 4.420 nan 0.000 0.271 42 P C 0.151 177.187 177.300 -0.440 0.000 1.226 42 P CA 0.172 62.702 63.100 -0.952 0.000 0.765 42 P CB 1.474 32.665 31.700 -0.849 0.000 0.835 43 T N 2.002 116.248 114.554 -0.514 0.000 3.182 43 T HA 0.161 4.510 4.350 -0.001 0.000 0.244 43 T C 0.007 174.470 174.700 -0.395 0.000 0.981 43 T CA 0.862 62.693 62.100 -0.448 0.000 1.182 43 T CB -0.139 68.322 68.868 -0.678 0.000 1.043 43 T HN 0.323 nan 8.240 nan 0.000 0.424 44 Y N 1.592 121.900 120.300 0.013 0.000 2.570 44 Y HA 0.486 5.036 4.550 0.000 0.000 0.345 44 Y C 0.262 176.193 175.900 0.051 0.000 1.014 44 Y CA -1.525 56.646 58.100 0.117 0.000 1.063 44 Y CB 1.233 39.749 38.460 0.093 0.000 1.272 44 Y HN -0.061 nan 8.280 nan 0.000 0.477 45 T N -0.268 114.451 114.554 0.275 0.000 2.729 45 T HA 0.487 4.837 4.350 -0.001 0.000 0.296 45 T C -1.284 173.571 174.700 0.258 0.000 0.928 45 T CA -0.408 61.718 62.100 0.043 0.000 1.045 45 T CB 0.224 68.828 68.868 -0.441 0.000 0.902 45 T HN 0.604 nan 8.240 nan 0.000 0.500 46 Y N 2.311 122.639 120.300 0.047 0.000 2.393 46 Y HA 0.263 4.812 4.550 -0.001 0.000 0.320 46 Y C -0.139 175.798 175.900 0.063 0.000 1.241 46 Y CA -1.186 56.965 58.100 0.084 0.000 1.122 46 Y CB 0.778 39.286 38.460 0.080 0.000 1.322 46 Y HN 0.774 nan 8.280 nan 0.000 0.441 47 H N 3.558 122.281 119.070 -0.578 0.000 2.355 47 H HA 0.471 5.027 4.556 -0.001 0.000 0.312 47 H C 0.739 175.595 175.328 -0.787 0.000 1.051 47 H CA 2.026 57.774 56.048 -0.501 0.000 1.389 47 H CB 0.751 30.335 29.762 -0.297 0.000 1.455 47 H HN 1.183 nan 8.280 nan 0.000 0.575 48 G N 0.455 108.736 108.800 -0.866 0.000 2.712 48 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.683 48 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.683 48 G C -0.132 174.750 174.900 -0.030 0.000 1.320 48 G CA -0.015 44.756 45.100 -0.547 0.000 0.847 48 G HN 0.675 nan 8.290 nan 0.000 0.553 49 T N 0.125 114.684 114.554 0.008 0.000 2.909 49 T HA 0.746 5.095 4.350 -0.001 0.000 0.289 49 T C -1.114 173.618 174.700 0.054 0.000 1.005 49 T CA -0.296 61.835 62.100 0.052 0.000 1.084 49 T CB 1.612 70.507 68.868 0.045 0.000 0.975 49 T HN 0.858 nan 8.240 nan 0.000 0.509 50 P HA 0.525 nan 4.420 nan 0.000 0.276 50 P C -0.479 176.901 177.300 0.134 0.000 1.252 50 P CA -0.599 62.554 63.100 0.089 0.000 0.802 50 P CB 0.440 32.191 31.700 0.085 0.000 1.035 51 c N -1.755 116.882 118.600 0.061 0.000 3.318 51 c HA 0.478 5.048 4.570 -0.001 0.000 0.329 51 c C -0.562 173.549 174.090 0.034 0.000 1.449 51 c CA -0.921 55.386 56.329 -0.037 0.000 1.397 51 c CB 0.614 42.950 42.510 -0.290 0.000 1.810 51 c HN 0.498 nan 8.230 nan 0.000 0.449 52 D N 0.932 121.360 120.400 0.046 0.000 2.629 52 D HA 0.146 4.785 4.640 -0.001 0.000 0.228 52 D C -0.283 176.105 176.300 0.147 0.000 1.127 52 D CA 0.722 54.801 54.000 0.131 0.000 0.855 52 D CB 0.065 40.955 40.800 0.150 0.000 1.180 52 D HN 0.550 nan 8.370 nan 0.000 0.484 53 F N 1.078 121.070 119.950 0.070 0.000 2.602 53 F HA 0.266 4.793 4.527 -0.001 0.000 0.367 53 F C 1.690 177.555 175.800 0.107 0.000 1.126 53 F CA 1.302 59.348 58.000 0.077 0.000 1.321 53 F CB 0.505 39.550 39.000 0.075 0.000 1.094 53 F HN 0.517 nan 8.300 nan 0.000 0.594 54 G N 3.502 111.942 108.800 -0.599 0.000 2.143 54 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.249 54 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.249 54 G C -0.026 174.835 174.900 -0.066 0.000 0.981 54 G CA -0.185 44.747 45.100 -0.279 0.000 0.665 54 G HN 0.644 nan 8.290 nan 0.000 0.528 55 R N 0.391 120.841 120.500 -0.084 0.000 2.686 55 R HA 0.450 4.789 4.340 -0.001 0.000 0.286 55 R C -1.077 175.191 176.300 -0.053 0.000 0.969 55 R CA -0.954 55.125 56.100 -0.036 0.000 0.898 55 R CB 1.129 31.407 30.300 -0.037 0.000 1.183 55 R HN 0.150 nan 8.270 nan 0.000 0.456 56 D N 0.922 121.308 120.400 -0.023 0.000 2.351 56 D HA 0.091 4.730 4.640 -0.001 0.000 0.251 56 D C 0.631 176.922 176.300 -0.015 0.000 1.137 56 D CA -0.048 53.947 54.000 -0.009 0.000 0.879 56 D CB 1.178 41.988 40.800 0.016 0.000 1.181 56 D HN 0.456 nan 8.370 nan 0.000 0.448 57 c N 1.556 120.149 118.600 -0.013 0.000 2.673 57 c HA 0.093 4.663 4.570 -0.001 0.000 0.264 57 c C 1.931 176.021 174.090 -0.000 0.000 1.304 57 c CA -0.338 55.964 56.329 -0.045 0.000 1.727 57 c CB -0.881 41.614 42.510 -0.024 0.000 1.932 57 c HN 0.662 nan 8.230 nan 0.000 0.563 58 I N -2.510 118.124 120.570 0.108 0.000 3.856 58 I HA 0.348 4.517 4.170 -0.001 0.000 0.330 58 I C 0.153 176.500 176.117 0.382 0.000 1.546 58 I CA -0.245 61.238 61.300 0.305 0.000 1.132 58 I CB -0.246 37.926 38.000 0.287 0.000 1.157 58 I HN -0.063 nan 8.210 nan 0.000 0.440 59 R N 3.163 123.824 120.500 0.269 0.000 2.594 59 R HA 0.295 4.634 4.340 -0.001 0.000 0.272 59 R C -0.787 175.750 176.300 0.396 0.000 1.074 59 R CA 0.138 56.395 56.100 0.262 0.000 1.105 59 R CB 0.617 30.998 30.300 0.136 0.000 1.008 59 R HN 0.642 nan 8.270 nan 0.000 0.472 60 W N 0.160 121.495 121.300 0.059 0.000 3.005 60 W HA 0.599 5.258 4.660 -0.002 0.000 0.343 60 W C -1.291 175.229 176.519 0.001 0.000 1.243 60 W CA -0.755 56.604 57.345 0.023 0.000 1.186 60 W CB 1.080 30.451 29.460 -0.148 0.000 1.453 60 W HN 0.464 nan 8.180 nan 0.000 0.575 61 E N 0.104 120.324 120.200 0.034 0.000 2.412 61 E HA 0.438 4.787 4.350 -0.001 0.000 0.279 61 E C -1.822 174.931 176.600 0.255 0.000 0.984 61 E CA -0.814 55.479 56.400 -0.179 0.000 0.788 61 E CB 1.322 31.096 29.700 0.124 0.000 1.277 61 E HN 0.254 nan 8.360 nan 0.000 0.455 62 Y N 2.660 123.199 120.300 0.398 0.000 2.610 62 Y HA 0.041 4.590 4.550 -0.001 0.000 0.332 62 Y C 1.377 177.502 175.900 0.376 0.000 1.201 62 Y CA 0.327 58.706 58.100 0.465 0.000 1.465 62 Y CB 0.159 38.807 38.460 0.314 0.000 1.283 62 Y HN 0.626 nan 8.280 nan 0.000 0.563 63 F N 3.725 123.852 119.950 0.294 0.000 2.091 63 F HA -0.331 4.195 4.527 -0.002 0.000 0.299 63 F C 2.075 178.001 175.800 0.210 0.000 1.103 63 F CA 2.242 60.351 58.000 0.181 0.000 1.228 63 F CB -0.456 38.569 39.000 0.042 0.000 0.984 63 F HN 0.723 nan 8.300 nan 0.000 0.477 64 N N 0.600 119.353 118.700 0.088 0.000 2.120 64 N HA -0.161 4.579 4.740 -0.001 0.000 0.188 64 N C 1.790 177.296 175.510 -0.005 0.000 1.024 64 N CA 2.089 55.099 53.050 -0.067 0.000 0.852 64 N CB -1.266 37.216 38.487 -0.008 0.000 1.003 64 N HN 0.310 nan 8.380 nan 0.000 0.424 65 V N 0.498 120.485 119.914 0.122 0.000 2.358 65 V HA -0.154 3.966 4.120 -0.001 0.000 0.246 65 V C 2.174 178.323 176.094 0.092 0.000 1.047 65 V CA 1.442 63.807 62.300 0.109 0.000 1.035 65 V CB -0.933 31.002 31.823 0.188 0.000 0.658 65 V HN 0.133 nan 8.190 nan 0.000 0.452 66 F N 0.274 120.237 119.950 0.022 0.000 2.102 66 F HA -0.174 4.352 4.527 -0.002 0.000 0.298 66 F C 2.106 177.852 175.800 -0.089 0.000 1.105 66 F CA 1.691 59.690 58.000 -0.002 0.000 1.239 66 F CB -0.165 38.878 39.000 0.071 0.000 0.991 66 F HN 0.009 nan 8.300 nan 0.000 0.474 67 L N 0.001 121.212 121.223 -0.020 0.000 2.046 67 L HA -0.264 4.076 4.340 -0.001 0.000 0.208 67 L C 2.423 179.257 176.870 -0.060 0.000 1.077 67 L CA 1.613 56.364 54.840 -0.148 0.000 0.747 67 L CB -0.761 41.121 42.059 -0.294 0.000 0.896 67 L HN 0.090 nan 8.230 nan 0.000 0.432 68 K N -0.554 119.804 120.400 -0.069 0.000 2.103 68 K HA -0.146 4.173 4.320 -0.001 0.000 0.207 68 K C 2.060 178.618 176.600 -0.071 0.000 1.048 68 K CA 1.856 58.108 56.287 -0.059 0.000 0.930 68 K CB -0.290 32.177 32.500 -0.055 0.000 0.716 68 K HN 0.322 nan 8.250 nan 0.000 0.444 69 T N 2.002 116.492 114.554 -0.106 0.000 2.777 69 T HA -0.058 4.292 4.350 -0.001 0.000 0.266 69 T C 1.890 176.595 174.700 0.008 0.000 1.040 69 T CA 0.845 62.886 62.100 -0.099 0.000 1.141 69 T CB -0.164 68.623 68.868 -0.136 0.000 0.868 69 T HN 0.101 nan 8.240 nan 0.000 0.444 70 L N 0.700 121.865 121.223 -0.097 0.000 2.013 70 L HA -0.167 4.172 4.340 -0.001 0.000 0.212 70 L C 2.868 179.886 176.870 0.247 0.000 1.073 70 L CA 1.570 56.429 54.840 0.032 0.000 0.753 70 L CB -0.568 41.237 42.059 -0.422 0.000 0.890 70 L HN 0.198 nan 8.230 nan 0.000 0.432 71 R N 0.580 121.196 120.500 0.194 0.000 2.096 71 R HA -0.244 4.095 4.340 -0.001 0.000 0.240 71 R C 2.131 178.416 176.300 -0.024 0.000 1.139 71 R CA 2.060 58.135 56.100 -0.041 0.000 0.952 71 R CB -0.163 30.026 30.300 -0.185 0.000 0.854 71 R HN 0.383 nan 8.270 nan 0.000 0.436 72 E N -0.910 119.255 120.200 -0.059 0.000 2.070 72 E HA -0.232 4.117 4.350 -0.001 0.000 0.197 72 E C 1.691 178.237 176.600 -0.090 0.000 1.004 72 E CA 1.788 58.095 56.400 -0.156 0.000 0.805 72 E CB -0.149 29.349 29.700 -0.336 0.000 0.744 72 E HN 0.472 nan 8.360 nan 0.000 0.451 73 Y N -0.305 120.069 120.300 0.124 0.000 2.561 73 Y HA -0.027 4.522 4.550 -0.001 0.000 0.291 73 Y C 1.881 177.944 175.900 0.271 0.000 1.141 73 Y CA 1.218 59.444 58.100 0.210 0.000 1.303 73 Y CB 0.390 39.033 38.460 0.306 0.000 1.015 73 Y HN 0.083 nan 8.280 nan 0.000 0.547 74 T N -4.918 109.845 114.554 0.347 0.000 3.231 74 T HA 0.206 4.555 4.350 -0.001 0.000 0.292 74 T C 0.209 175.056 174.700 0.244 0.000 1.001 74 T CA -0.250 62.033 62.100 0.305 0.000 0.920 74 T CB -0.226 68.722 68.868 0.133 0.000 1.140 74 T HN -0.127 nan 8.240 nan 0.000 0.525 75 T N 4.813 119.460 114.554 0.155 0.000 2.770 75 T HA 0.464 4.813 4.350 -0.001 0.000 0.297 75 T C -2.827 171.604 174.700 -0.448 0.000 0.997 75 T CA -1.364 60.668 62.100 -0.113 0.000 0.949 75 T CB 1.322 70.113 68.868 -0.128 0.000 0.941 75 T HN 0.040 nan 8.240 nan 0.000 0.457 76 P HA 0.171 nan 4.420 nan 0.000 0.264 76 P C 1.145 178.076 177.300 -0.616 0.000 1.183 76 P CA 1.068 63.381 63.100 -1.311 0.000 0.763 76 P CB 0.358 31.613 31.700 -0.743 0.000 0.807 77 G N 1.921 110.434 108.800 -0.478 0.000 2.241 77 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.244 77 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.244 77 G C 0.546 175.374 174.900 -0.120 0.000 0.998 77 G CA -0.252 44.726 45.100 -0.204 0.000 0.621 77 G HN 0.677 nan 8.290 nan 0.000 0.519 78 N N 1.227 119.853 118.700 -0.123 0.000 2.479 78 N HA 0.405 5.144 4.740 -0.001 0.000 0.257 78 N C 1.734 177.250 175.510 0.010 0.000 1.232 78 N CA 0.733 53.753 53.050 -0.051 0.000 0.920 78 N CB 1.081 39.542 38.487 -0.043 0.000 1.105 78 N HN 0.559 nan 8.380 nan 0.000 0.444 79 A N 4.240 127.049 122.820 -0.019 0.000 2.024 79 A HA -0.129 4.191 4.320 -0.001 0.000 0.220 79 A C 1.728 179.317 177.584 0.008 0.000 1.164 79 A CA 1.387 53.420 52.037 -0.006 0.000 0.643 79 A CB -0.089 18.892 19.000 -0.031 0.000 0.806 79 A HN 0.754 nan 8.150 nan 0.000 0.451 80 K N -1.619 118.762 120.400 -0.032 0.000 2.374 80 K HA 0.077 4.396 4.320 -0.001 0.000 0.196 80 K C -0.333 176.314 176.600 0.078 0.000 1.023 80 K CA -0.434 55.805 56.287 -0.080 0.000 1.103 80 K CB 0.057 32.312 32.500 -0.408 0.000 0.848 80 K HN 0.525 nan 8.250 nan 0.000 0.528 81 Y N 2.802 123.102 120.300 -0.001 0.000 2.717 81 Y HA -0.114 4.436 4.550 -0.001 0.000 0.330 81 Y C -0.213 175.765 175.900 0.130 0.000 1.217 81 Y CA 0.088 58.226 58.100 0.063 0.000 1.506 81 Y CB 0.399 38.868 38.460 0.014 0.000 1.268 81 Y HN -0.148 nan 8.280 nan 0.000 0.561 82 R N 6.073 126.397 120.500 -0.294 0.000 2.320 82 R HA 0.096 4.435 4.340 -0.001 0.000 0.319 82 R C 0.448 176.345 176.300 -0.671 0.000 0.969 82 R CA -0.334 55.575 56.100 -0.318 0.000 0.857 82 R CB 0.826 31.154 30.300 0.046 0.000 1.160 82 R HN 0.857 nan 8.270 nan 0.000 0.491 83 D N 1.769 121.674 120.400 -0.826 0.000 2.310 83 D HA -0.094 4.546 4.640 -0.001 0.000 0.212 83 D C 1.275 177.494 176.300 -0.135 0.000 0.965 83 D CA 0.908 54.574 54.000 -0.556 0.000 0.879 83 D CB 0.035 40.709 40.800 -0.210 0.000 0.921 83 D HN 0.613 nan 8.370 nan 0.000 0.510 84 G N -0.756 107.998 108.800 -0.075 0.000 2.744 84 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.211 84 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.211 84 G C -0.049 174.946 174.900 0.159 0.000 1.143 84 G CA -0.299 44.820 45.100 0.031 0.000 0.788 84 G HN 0.246 nan 8.290 nan 0.000 0.534 85 F N 2.467 122.410 119.950 -0.011 0.000 2.350 85 F HA 0.466 4.993 4.527 -0.001 0.000 0.365 85 F C 0.881 176.799 175.800 0.196 0.000 1.122 85 F CA -2.749 55.296 58.000 0.075 0.000 1.139 85 F CB 0.601 39.631 39.000 0.050 0.000 1.220 85 F HN 0.119 nan 8.300 nan 0.000 0.499 86 I N 3.900 124.710 120.570 0.399 0.000 4.403 86 I HA 0.432 4.601 4.170 -0.001 0.000 0.331 86 I C -1.048 175.288 176.117 0.364 0.000 1.327 86 I CA 0.006 61.533 61.300 0.378 0.000 1.175 86 I CB 0.766 39.005 38.000 0.399 0.000 1.165 86 I HN 0.414 nan 8.210 nan 0.000 0.413 87 L N 1.889 123.309 121.223 0.328 0.000 2.556 87 L HA 0.596 4.935 4.340 -0.001 0.000 0.257 87 L C -1.884 175.165 176.870 0.298 0.000 0.955 87 L CA -0.701 54.248 54.840 0.182 0.000 0.850 87 L CB 2.508 44.638 42.059 0.117 0.000 1.398 87 L HN 0.213 nan 8.230 nan 0.000 0.412 88 F N 2.127 122.088 119.950 0.019 0.000 2.588 88 F HA 0.860 5.386 4.527 -0.002 0.000 0.314 88 F C -1.406 174.377 175.800 -0.029 0.000 1.069 88 F CA -1.160 56.888 58.000 0.079 0.000 0.931 88 F CB 1.478 40.578 39.000 0.167 0.000 1.260 88 F HN 0.066 nan 8.300 nan 0.000 0.465 89 V N 3.665 123.682 119.914 0.172 0.000 2.398 89 V HA 0.378 4.497 4.120 -0.001 0.000 0.286 89 V C -0.171 176.079 176.094 0.259 0.000 1.026 89 V CA -0.749 61.605 62.300 0.091 0.000 0.868 89 V CB 1.534 33.414 31.823 0.095 0.000 0.982 89 V HN 0.696 nan 8.190 nan 0.000 0.443 90 L N 4.089 125.453 121.223 0.236 0.000 2.255 90 L HA 0.434 4.773 4.340 -0.001 0.000 0.289 90 L C -0.080 176.928 176.870 0.230 0.000 1.046 90 L CA -0.366 54.634 54.840 0.267 0.000 0.816 90 L CB 1.043 43.284 42.059 0.304 0.000 1.197 90 L HN 0.558 nan 8.230 nan 0.000 0.427 91 D N 5.069 125.615 120.400 0.244 0.000 2.453 91 D HA 0.252 4.891 4.640 -0.001 0.000 0.223 91 D C -0.385 175.997 176.300 0.137 0.000 1.183 91 D CA -0.159 53.987 54.000 0.243 0.000 0.933 91 D CB 0.503 41.512 40.800 0.349 0.000 1.038 91 D HN 0.288 nan 8.370 nan 0.000 0.513 92 L N 4.383 125.666 121.223 0.101 0.000 2.278 92 L HA 0.224 4.563 4.340 -0.001 0.000 0.287 92 L C 1.019 177.934 176.870 0.075 0.000 1.072 92 L CA -0.413 54.522 54.840 0.158 0.000 0.819 92 L CB 0.706 42.770 42.059 0.008 0.000 1.176 92 L HN -0.040 nan 8.230 nan 0.000 0.435 93 K N 2.771 123.299 120.400 0.213 0.000 2.333 93 K HA 0.132 4.451 4.320 -0.001 0.000 0.241 93 K C 1.026 177.628 176.600 0.003 0.000 1.193 93 K CA -0.054 56.278 56.287 0.076 0.000 1.142 93 K CB 0.143 32.687 32.500 0.074 0.000 1.731 93 K HN 0.633 nan 8.250 nan 0.000 0.344 94 T N -3.609 110.821 114.554 -0.207 0.000 3.086 94 T HA 0.028 4.378 4.350 -0.001 0.000 0.250 94 T C 1.806 176.478 174.700 -0.045 0.000 1.074 94 T CA 0.241 62.150 62.100 -0.318 0.000 0.988 94 T CB 0.312 68.976 68.868 -0.339 0.000 0.988 94 T HN 0.359 nan 8.240 nan 0.000 0.530 95 G N 1.387 110.136 108.800 -0.085 0.000 2.516 95 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.221 95 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.221 95 G C 1.360 176.229 174.900 -0.052 0.000 1.107 95 G CA 0.729 45.768 45.100 -0.102 0.000 0.747 95 G HN 0.577 nan 8.290 nan 0.000 0.567 96 S N -0.274 115.401 115.700 -0.042 0.000 2.554 96 S HA 0.359 4.828 4.470 -0.001 0.000 0.226 96 S C 0.563 175.140 174.600 -0.039 0.000 0.980 96 S CA -0.540 57.638 58.200 -0.036 0.000 0.939 96 S CB 0.257 63.442 63.200 -0.026 0.000 0.832 96 S HN 0.168 nan 8.310 nan 0.000 0.486 97 L N 3.189 124.375 121.223 -0.061 0.000 2.380 97 L HA 0.281 4.620 4.340 -0.001 0.000 0.273 97 L C 0.947 177.753 176.870 -0.107 0.000 1.138 97 L CA -0.441 54.333 54.840 -0.109 0.000 0.832 97 L CB 0.736 42.662 42.059 -0.223 0.000 1.124 97 L HN 0.271 nan 8.230 nan 0.000 0.454 98 S N 1.970 117.616 115.700 -0.089 0.000 2.584 98 S HA -0.036 4.433 4.470 -0.001 0.000 0.270 98 S C 1.060 175.582 174.600 -0.130 0.000 1.346 98 S CA -0.408 57.740 58.200 -0.086 0.000 1.018 98 S CB 0.863 64.026 63.200 -0.061 0.000 0.899 98 S HN 0.780 nan 8.310 nan 0.000 0.542 99 N N 1.058 119.687 118.700 -0.119 0.000 2.094 99 N HA -0.215 4.524 4.740 -0.001 0.000 0.191 99 N C 0.633 176.058 175.510 -0.143 0.000 1.023 99 N CA 1.903 54.863 53.050 -0.150 0.000 0.857 99 N CB -0.487 37.932 38.487 -0.114 0.000 1.013 99 N HN 0.690 nan 8.380 nan 0.000 0.426 100 D N 0.522 120.862 120.400 -0.100 0.000 2.263 100 D HA -0.116 4.523 4.640 -0.001 0.000 0.208 100 D C 1.544 177.794 176.300 -0.083 0.000 0.971 100 D CA 0.868 54.820 54.000 -0.080 0.000 0.867 100 D CB -0.104 40.663 40.800 -0.054 0.000 0.929 100 D HN 0.526 nan 8.370 nan 0.000 0.492 101 Q N -0.477 119.262 119.800 -0.102 0.000 2.402 101 Q HA 0.041 4.380 4.340 -0.001 0.000 0.206 101 Q C 2.112 178.036 176.000 -0.126 0.000 0.919 101 Q CA -0.005 55.744 55.803 -0.091 0.000 0.923 101 Q CB 0.705 29.396 28.738 -0.079 0.000 1.048 101 Q HN 0.110 nan 8.270 nan 0.000 0.515 102 V N 0.694 120.491 119.914 -0.195 0.000 2.270 102 V HA -0.270 3.849 4.120 -0.001 0.000 0.245 102 V C 2.257 178.287 176.094 -0.108 0.000 1.043 102 V CA 1.930 64.090 62.300 -0.234 0.000 1.014 102 V CB -0.416 31.144 31.823 -0.439 0.000 0.645 102 V HN 0.277 nan 8.190 nan 0.000 0.447 103 R N 0.168 120.601 120.500 -0.111 0.000 2.070 103 R HA -0.142 4.198 4.340 -0.001 0.000 0.233 103 R C -0.061 176.181 176.300 -0.097 0.000 1.137 103 R CA 2.035 58.086 56.100 -0.083 0.000 0.945 103 R CB -1.286 28.977 30.300 -0.062 0.000 0.845 103 R HN 0.431 nan 8.270 nan 0.000 0.430 104 P HA -0.093 nan 4.420 nan 0.000 0.218 104 P C 0.600 177.877 177.300 -0.038 0.000 1.148 104 P CA 1.706 64.780 63.100 -0.044 0.000 0.822 104 P CB -0.010 31.678 31.700 -0.019 0.000 0.784 105 A N -0.128 122.668 122.820 -0.040 0.000 1.933 105 A HA -0.069 4.250 4.320 -0.001 0.000 0.218 105 A C 2.468 179.892 177.584 -0.268 0.000 1.175 105 A CA 1.987 54.056 52.037 0.054 0.000 0.628 105 A CB -1.839 17.189 19.000 0.045 0.000 0.814 105 A HN 0.275 nan 8.150 nan 0.000 0.444 106 G N -0.320 107.955 108.800 -0.875 0.000 2.421 106 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.216 106 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.216 106 G C 1.403 176.075 174.900 -0.380 0.000 1.171 106 G CA 0.981 45.195 45.100 -1.477 0.000 0.775 106 G HN 0.652 nan 8.290 nan 0.000 0.543 107 E N 0.674 120.761 120.200 -0.189 0.000 2.085 107 E HA -0.147 4.202 4.350 -0.001 0.000 0.194 107 E C 2.464 179.059 176.600 -0.009 0.000 0.994 107 E CA 1.034 57.391 56.400 -0.072 0.000 0.801 107 E CB -0.086 29.588 29.700 -0.042 0.000 0.743 107 E HN 0.276 nan 8.360 nan 0.000 0.453 108 N N 0.383 119.103 118.700 0.034 0.000 2.142 108 N HA -0.112 4.627 4.740 -0.001 0.000 0.186 108 N C 1.933 177.572 175.510 0.215 0.000 1.023 108 N CA 0.791 53.914 53.050 0.121 0.000 0.852 108 N CB -0.309 38.274 38.487 0.159 0.000 0.998 108 N HN 0.007 nan 8.380 nan 0.000 0.424 109 V N 1.548 121.636 119.914 0.290 0.000 2.358 109 V HA -0.166 3.954 4.120 -0.001 0.000 0.246 109 V C 2.412 178.784 176.094 0.463 0.000 1.047 109 V CA 1.694 64.303 62.300 0.515 0.000 1.035 109 V CB -0.975 31.285 31.823 0.728 0.000 0.658 109 V HN 0.277 nan 8.190 nan 0.000 0.452 110 A N -0.068 122.894 122.820 0.237 0.000 1.883 110 A HA -0.275 4.044 4.320 -0.001 0.000 0.217 110 A C 2.291 179.880 177.584 0.008 0.000 1.186 110 A CA 2.187 54.090 52.037 -0.223 0.000 0.624 110 A CB -0.478 18.111 19.000 -0.685 0.000 0.822 110 A HN 0.547 nan 8.150 nan 0.000 0.444 111 K N -0.572 119.853 120.400 0.042 0.000 2.057 111 K HA -0.135 4.184 4.320 -0.001 0.000 0.207 111 K C 2.063 178.716 176.600 0.090 0.000 1.049 111 K CA 1.370 57.694 56.287 0.062 0.000 0.931 111 K CB -0.134 32.399 32.500 0.055 0.000 0.714 111 K HN 0.461 nan 8.250 nan 0.000 0.440 112 E N 0.945 121.224 120.200 0.132 0.000 2.051 112 E HA -0.160 4.189 4.350 -0.001 0.000 0.192 112 E C 2.165 178.768 176.600 0.005 0.000 0.991 112 E CA 1.030 57.473 56.400 0.072 0.000 0.799 112 E CB -0.135 29.659 29.700 0.157 0.000 0.748 112 E HN 0.283 nan 8.360 nan 0.000 0.449 113 L N 0.498 121.770 121.223 0.081 0.000 2.046 113 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 113 L C 2.640 179.560 176.870 0.084 0.000 1.077 113 L CA 0.489 55.309 54.840 -0.033 0.000 0.747 113 L CB -0.369 41.652 42.059 -0.063 0.000 0.896 113 L HN 0.146 nan 8.230 nan 0.000 0.432 114 L N -0.085 121.307 121.223 0.281 0.000 1.989 114 L HA -0.266 4.073 4.340 -0.001 0.000 0.211 114 L C 2.560 179.514 176.870 0.141 0.000 1.071 114 L CA 1.955 56.992 54.840 0.327 0.000 0.749 114 L CB -0.576 41.585 42.059 0.169 0.000 0.890 114 L HN 0.248 nan 8.230 nan 0.000 0.431 115 Q N -0.733 119.108 119.800 0.069 0.000 2.049 115 Q HA -0.135 4.204 4.340 -0.001 0.000 0.198 115 Q C 1.842 177.841 176.000 -0.003 0.000 0.971 115 Q CA 2.053 57.870 55.803 0.022 0.000 0.833 115 Q CB -0.125 28.621 28.738 0.013 0.000 0.896 115 Q HN 0.579 nan 8.270 nan 0.000 0.434 116 N N -1.502 117.185 118.700 -0.020 0.000 2.414 116 N HA -0.020 4.719 4.740 -0.001 0.000 0.177 116 N C 0.863 176.347 175.510 -0.043 0.000 1.062 116 N CA 0.533 53.552 53.050 -0.051 0.000 0.890 116 N CB 0.111 38.540 38.487 -0.095 0.000 1.070 116 N HN 0.263 nan 8.380 nan 0.000 0.454 117 Y N -0.623 119.556 120.300 -0.202 0.000 2.464 117 Y HA 0.143 4.691 4.550 -0.002 0.000 0.288 117 Y C 1.205 176.994 175.900 -0.185 0.000 1.133 117 Y CA 0.728 58.660 58.100 -0.281 0.000 1.223 117 Y CB -0.003 38.175 38.460 -0.470 0.000 1.187 117 Y HN -0.061 nan 8.280 nan 0.000 0.539 118 W N 1.045 122.276 121.300 -0.115 0.000 3.278 118 W HA 0.195 4.854 4.660 -0.002 0.000 0.308 118 W C 0.604 177.006 176.519 -0.194 0.000 1.253 118 W CA 0.465 57.689 57.345 -0.202 0.000 1.759 118 W CB -1.101 28.311 29.460 -0.081 0.000 1.093 118 W HN 0.251 nan 8.180 nan 0.000 0.648 119 N N 2.402 121.115 118.700 0.022 0.000 2.714 119 N HA -0.293 4.446 4.740 -0.001 0.000 0.252 119 N C 0.026 175.519 175.510 -0.028 0.000 1.014 119 N CA 1.376 54.414 53.050 -0.021 0.000 0.735 119 N CB -1.643 36.812 38.487 -0.054 0.000 0.924 119 N HN 0.186 nan 8.380 nan 0.000 0.540 120 N N -1.439 117.233 118.700 -0.046 0.000 2.708 120 N HA -0.205 4.534 4.740 -0.001 0.000 0.249 120 N C 0.981 176.306 175.510 -0.307 0.000 1.097 120 N CA 1.779 54.725 53.050 -0.174 0.000 0.710 120 N CB -1.509 36.950 38.487 -0.047 0.000 1.032 120 N HN 1.198 nan 8.380 nan 0.000 0.551 121 G N -0.707 107.937 108.800 -0.261 0.000 2.159 121 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.256 121 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.256 121 G C -0.091 174.798 174.900 -0.020 0.000 0.977 121 G CA 0.402 45.414 45.100 -0.147 0.000 0.652 121 G HN 0.619 nan 8.290 nan 0.000 0.531 122 N N 1.076 119.760 118.700 -0.026 0.000 2.767 122 N HA 0.438 5.177 4.740 -0.001 0.000 0.238 122 N C 0.479 175.967 175.510 -0.036 0.000 1.083 122 N CA -0.135 52.904 53.050 -0.018 0.000 0.964 122 N CB 0.535 39.013 38.487 -0.015 0.000 1.252 122 N HN 0.262 nan 8.380 nan 0.000 0.512 123 N N 0.743 119.420 118.700 -0.039 0.000 2.738 123 N HA -0.146 4.593 4.740 -0.001 0.000 0.249 123 N C 0.067 175.529 175.510 -0.080 0.000 1.047 123 N CA 0.778 53.791 53.050 -0.062 0.000 0.707 123 N CB -0.982 37.462 38.487 -0.071 0.000 0.937 123 N HN 0.689 nan 8.380 nan 0.000 0.545 124 G N -0.916 107.854 108.800 -0.050 0.000 2.684 124 G HA2 0.488 4.447 3.960 -0.001 0.000 0.255 124 G HA3 0.488 4.447 3.960 -0.001 0.000 0.255 124 G C 0.748 175.538 174.900 -0.183 0.000 1.219 124 G CA -0.122 44.931 45.100 -0.077 0.000 0.901 124 G HN 0.528 nan 8.290 nan 0.000 0.548 125 G N -1.290 107.178 108.800 -0.554 0.000 2.491 125 G HA2 0.358 4.317 3.960 -0.001 0.000 0.238 125 G HA3 0.358 4.317 3.960 -0.001 0.000 0.238 125 G C 0.978 175.828 174.900 -0.083 0.000 1.277 125 G CA -0.105 44.666 45.100 -0.548 0.000 0.851 125 G HN 0.828 nan 8.290 nan 0.000 0.573 126 R N 0.842 121.391 120.500 0.082 0.000 2.312 126 R HA 0.468 4.807 4.340 -0.001 0.000 0.205 126 R C 1.089 177.544 176.300 0.258 0.000 0.904 126 R CA 0.393 56.572 56.100 0.133 0.000 1.052 126 R CB 0.171 30.438 30.300 -0.055 0.000 1.014 126 R HN 0.472 nan 8.270 nan 0.000 0.503 127 A N 1.290 124.315 122.820 0.342 0.000 2.425 127 A HA 0.188 4.507 4.320 -0.001 0.000 0.242 127 A C -0.875 176.792 177.584 0.138 0.000 1.077 127 A CA -0.336 51.862 52.037 0.269 0.000 0.781 127 A CB -0.087 18.986 19.000 0.122 0.000 1.020 127 A HN 0.332 nan 8.150 nan 0.000 0.494 128 Y N 0.140 120.458 120.300 0.030 0.000 2.336 128 Y HA 0.382 4.932 4.550 -0.001 0.000 0.331 128 Y C 0.647 176.294 175.900 -0.422 0.000 1.211 128 Y CA 0.449 58.483 58.100 -0.110 0.000 1.346 128 Y CB 1.070 39.294 38.460 -0.393 0.000 1.271 128 Y HN 0.452 nan 8.280 nan 0.000 0.538 129 V N 4.203 124.002 119.914 -0.192 0.000 2.540 129 V HA 0.561 4.680 4.120 -0.001 0.000 0.302 129 V C -1.303 174.617 176.094 -0.290 0.000 1.035 129 V CA -0.732 61.204 62.300 -0.607 0.000 0.873 129 V CB 1.587 32.949 31.823 -0.769 0.000 0.992 129 V HN 0.514 nan 8.190 nan 0.000 0.428 130 V N 8.054 127.734 119.914 -0.389 0.000 2.370 130 V HA 0.431 4.550 4.120 -0.001 0.000 0.279 130 V C 0.053 176.038 176.094 -0.181 0.000 1.029 130 V CA -0.513 61.578 62.300 -0.349 0.000 0.870 130 V CB 1.453 32.976 31.823 -0.500 0.000 0.984 130 V HN 0.737 nan 8.190 nan 0.000 0.451 131 L N 4.333 125.442 121.223 -0.189 0.000 2.283 131 L HA 0.381 4.721 4.340 -0.001 0.000 0.287 131 L C 0.578 177.515 176.870 0.111 0.000 1.073 131 L CA 0.323 55.148 54.840 -0.025 0.000 0.822 131 L CB 1.107 43.137 42.059 -0.047 0.000 1.186 131 L HN 0.618 nan 8.230 nan 0.000 0.436 132 S N 5.128 120.921 115.700 0.155 0.000 2.422 132 S HA 0.610 5.080 4.470 -0.001 0.000 0.308 132 S C -0.423 174.237 174.600 0.101 0.000 1.097 132 S CA -0.567 57.777 58.200 0.239 0.000 1.099 132 S CB 0.286 63.715 63.200 0.381 0.000 0.976 132 S HN 0.429 nan 8.310 nan 0.000 0.471 133 L N 7.106 128.394 121.223 0.108 0.000 2.325 133 L HA 0.539 4.878 4.340 -0.001 0.000 0.278 133 L C -1.618 175.184 176.870 -0.112 0.000 1.023 133 L CA -2.111 52.668 54.840 -0.101 0.000 0.811 133 L CB 2.261 44.186 42.059 -0.224 0.000 1.249 133 L HN 0.495 nan 8.230 nan 0.000 0.431 134 P HA 0.101 nan 4.420 nan 0.000 0.258 134 P C -0.803 176.275 177.300 -0.370 0.000 1.416 134 P CA 0.307 63.239 63.100 -0.281 0.000 0.927 134 P CB 0.416 31.918 31.700 -0.329 0.000 1.444 135 D N 0.511 120.640 120.400 -0.450 0.000 2.738 135 D HA 0.079 4.719 4.640 -0.001 0.000 0.218 135 D C 1.224 177.257 176.300 -0.445 0.000 1.345 135 D CA -0.472 53.213 54.000 -0.526 0.000 0.943 135 D CB 1.299 41.490 40.800 -1.015 0.000 1.514 135 D HN -0.099 nan 8.370 nan 0.000 0.585 136 I N 0.783 121.199 120.570 -0.258 0.000 2.700 136 I HA 0.099 4.268 4.170 -0.001 0.000 0.261 136 I C 1.653 177.661 176.117 -0.181 0.000 1.219 136 I CA 1.076 62.242 61.300 -0.223 0.000 1.463 136 I CB -0.049 37.925 38.000 -0.044 0.000 1.092 136 I HN 0.337 nan 8.210 nan 0.000 0.452 137 G N -0.292 108.408 108.800 -0.167 0.000 2.848 137 G HA2 -0.036 3.924 3.960 -0.001 0.000 0.208 137 G HA3 -0.036 3.924 3.960 -0.001 0.000 0.208 137 G C 1.024 175.829 174.900 -0.159 0.000 1.152 137 G CA 0.013 45.061 45.100 -0.087 0.000 0.789 137 G HN 0.635 nan 8.290 nan 0.000 0.531 138 H N -0.421 118.390 119.070 -0.431 0.000 2.537 138 H HA 0.086 4.642 4.556 -0.000 0.000 0.295 138 H C 1.529 176.590 175.328 -0.445 0.000 1.054 138 H CA -0.439 55.349 56.048 -0.434 0.000 1.156 138 H CB 0.223 29.751 29.762 -0.390 0.000 1.468 138 H HN 0.627 nan 8.280 nan 0.000 0.551 139 Y N 0.085 120.210 120.300 -0.292 0.000 2.403 139 Y HA -0.119 4.430 4.550 -0.002 0.000 0.291 139 Y C 1.783 177.693 175.900 0.017 0.000 1.143 139 Y CA 0.358 58.324 58.100 -0.225 0.000 1.257 139 Y CB -0.224 38.165 38.460 -0.118 0.000 0.984 139 Y HN 0.038 nan 8.280 nan 0.000 0.550 140 E N 0.639 120.697 120.200 -0.237 0.000 2.204 140 E HA -0.214 4.136 4.350 -0.001 0.000 0.195 140 E C 1.914 178.564 176.600 0.084 0.000 0.990 140 E CA 1.178 57.549 56.400 -0.048 0.000 0.821 140 E CB -0.689 28.899 29.700 -0.187 0.000 0.750 140 E HN 0.692 nan 8.360 nan 0.000 0.477 141 F N 1.286 121.190 119.950 -0.077 0.000 2.091 141 F HA -0.286 4.241 4.527 0.002 0.000 0.299 141 F C 2.221 178.131 175.800 0.183 0.000 1.103 141 F CA 1.316 59.330 58.000 0.024 0.000 1.228 141 F CB -0.044 38.939 39.000 -0.029 0.000 0.984 141 F HN -0.180 nan 8.300 nan 0.000 0.477 142 V N 0.975 121.227 119.914 0.564 0.000 2.358 142 V HA -0.264 3.856 4.120 -0.001 0.000 0.246 142 V C 2.409 178.725 176.094 0.369 0.000 1.047 142 V CA 2.114 64.731 62.300 0.527 0.000 1.035 142 V CB -0.684 31.427 31.823 0.480 0.000 0.658 142 V HN 0.299 nan 8.190 nan 0.000 0.452 143 R N 0.251 120.914 120.500 0.271 0.000 2.083 143 R HA -0.132 4.207 4.340 -0.001 0.000 0.237 143 R C 2.488 178.881 176.300 0.154 0.000 1.137 143 R CA 1.614 57.829 56.100 0.192 0.000 0.951 143 R CB -0.942 29.459 30.300 0.169 0.000 0.851 143 R HN 0.582 nan 8.270 nan 0.000 0.434 144 G N 0.613 109.481 108.800 0.114 0.000 2.422 144 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.218 144 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.218 144 G C 1.265 176.209 174.900 0.073 0.000 1.146 144 G CA 0.380 45.508 45.100 0.047 0.000 0.769 144 G HN 0.267 nan 8.290 nan 0.000 0.547 145 F N 1.460 121.395 119.950 -0.024 0.000 2.075 145 F HA 0.006 4.533 4.527 0.001 0.000 0.297 145 F C 2.757 178.635 175.800 0.130 0.000 1.113 145 F CA 1.958 59.986 58.000 0.048 0.000 1.218 145 F CB -0.053 39.038 39.000 0.151 0.000 0.984 145 F HN 0.026 nan 8.300 nan 0.000 0.472 146 K N 0.054 120.702 120.400 0.414 0.000 2.103 146 K HA -0.259 4.061 4.320 -0.001 0.000 0.207 146 K C 2.100 178.756 176.600 0.094 0.000 1.048 146 K CA 1.799 58.245 56.287 0.265 0.000 0.930 146 K CB -0.384 32.273 32.500 0.260 0.000 0.716 146 K HN 0.452 nan 8.250 nan 0.000 0.444 147 E N 0.874 121.119 120.200 0.075 0.000 2.058 147 E HA -0.201 4.148 4.350 -0.001 0.000 0.194 147 E C 1.908 178.507 176.600 -0.001 0.000 0.997 147 E CA 1.429 57.849 56.400 0.033 0.000 0.801 147 E CB 0.067 29.786 29.700 0.031 0.000 0.746 147 E HN 0.023 nan 8.360 nan 0.000 0.450 148 V N 1.451 121.345 119.914 -0.033 0.000 2.287 148 V HA -0.302 3.818 4.120 -0.001 0.000 0.248 148 V C 2.522 178.588 176.094 -0.048 0.000 1.053 148 V CA 1.834 64.102 62.300 -0.054 0.000 1.027 148 V CB -0.517 31.245 31.823 -0.101 0.000 0.646 148 V HN 0.377 nan 8.190 nan 0.000 0.447 149 L N -0.710 120.458 121.223 -0.092 0.000 2.046 149 L HA -0.192 4.148 4.340 -0.001 0.000 0.208 149 L C 2.602 179.475 176.870 0.005 0.000 1.077 149 L CA 1.744 56.557 54.840 -0.045 0.000 0.747 149 L CB -0.652 41.349 42.059 -0.096 0.000 0.896 149 L HN 0.328 nan 8.230 nan 0.000 0.432 150 K N 0.320 120.719 120.400 -0.002 0.000 2.025 150 K HA -0.212 4.107 4.320 -0.001 0.000 0.207 150 K C 2.149 178.737 176.600 -0.020 0.000 1.049 150 K CA 1.245 57.528 56.287 -0.007 0.000 0.933 150 K CB -0.152 32.353 32.500 0.008 0.000 0.714 150 K HN 0.142 nan 8.250 nan 0.000 0.438 151 K N 1.176 121.570 120.400 -0.010 0.000 2.147 151 K HA -0.154 4.165 4.320 -0.001 0.000 0.205 151 K C 1.204 177.796 176.600 -0.013 0.000 1.049 151 K CA 1.280 57.561 56.287 -0.011 0.000 0.936 151 K CB 0.225 32.723 32.500 -0.003 0.000 0.722 151 K HN 0.001 nan 8.250 nan 0.000 0.446 152 E N -0.370 119.834 120.200 0.007 0.000 2.489 152 E HA 0.035 4.385 4.350 -0.001 0.000 0.193 152 E C 0.670 177.211 176.600 -0.099 0.000 1.057 152 E CA 0.703 57.129 56.400 0.042 0.000 0.866 152 E CB 0.494 30.295 29.700 0.167 0.000 0.916 152 E HN 0.555 nan 8.360 nan 0.000 0.500 153 G N 1.958 110.652 108.800 -0.178 0.000 2.182 153 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.248 153 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.248 153 G C 0.108 174.635 174.900 -0.622 0.000 1.042 153 G CA 0.063 44.957 45.100 -0.342 0.000 0.775 153 G HN 0.387 nan 8.290 nan 0.000 0.501 154 H N -0.893 118.139 119.070 -0.063 0.000 2.676 154 H HA 0.222 4.777 4.556 -0.001 0.000 0.238 154 H C 1.343 176.599 175.328 -0.121 0.000 1.276 154 H CA 0.166 56.151 56.048 -0.106 0.000 0.983 154 H CB 0.438 30.119 29.762 -0.135 0.000 2.000 154 H HN 0.635 nan 8.280 nan 0.000 0.584 155 E N 1.483 121.669 120.200 -0.023 0.000 2.160 155 E HA -0.182 4.167 4.350 -0.001 0.000 0.195 155 E C 1.462 178.057 176.600 -0.007 0.000 0.991 155 E CA 1.689 58.085 56.400 -0.006 0.000 0.810 155 E CB 0.374 30.071 29.700 -0.004 0.000 0.742 155 E HN 0.471 nan 8.360 nan 0.000 0.466 156 D N 0.559 120.946 120.400 -0.021 0.000 2.263 156 D HA -0.218 4.422 4.640 -0.001 0.000 0.208 156 D C 1.933 178.193 176.300 -0.067 0.000 0.971 156 D CA 0.796 54.786 54.000 -0.016 0.000 0.867 156 D CB -0.538 40.255 40.800 -0.012 0.000 0.929 156 D HN 0.363 nan 8.370 nan 0.000 0.492 157 L N -0.210 120.898 121.223 -0.191 0.000 2.275 157 L HA -0.010 4.329 4.340 -0.001 0.000 0.215 157 L C 2.524 179.246 176.870 -0.246 0.000 1.119 157 L CA 0.313 54.865 54.840 -0.480 0.000 0.790 157 L CB -0.316 41.107 42.059 -1.059 0.000 0.919 157 L HN 0.028 nan 8.230 nan 0.000 0.443 158 L N -0.312 120.893 121.223 -0.030 0.000 2.349 158 L HA -0.207 4.132 4.340 -0.001 0.000 0.220 158 L C 2.248 179.275 176.870 0.261 0.000 1.130 158 L CA 0.963 55.902 54.840 0.165 0.000 0.791 158 L CB -0.479 41.683 42.059 0.172 0.000 0.918 158 L HN 0.338 nan 8.230 nan 0.000 0.444 159 E N -0.020 120.323 120.200 0.237 0.000 2.209 159 E HA -0.188 4.161 4.350 -0.001 0.000 0.196 159 E C 1.504 178.424 176.600 0.533 0.000 0.993 159 E CA 0.740 57.378 56.400 0.397 0.000 0.819 159 E CB 0.163 30.008 29.700 0.242 0.000 0.745 159 E HN 0.246 nan 8.360 nan 0.000 0.477 160 K N 0.078 120.695 120.400 0.362 0.000 2.374 160 K HA 0.149 4.469 4.320 -0.001 0.000 0.196 160 K C -0.197 176.780 176.600 0.628 0.000 1.023 160 K CA 0.097 56.597 56.287 0.355 0.000 1.103 160 K CB 0.831 33.464 32.500 0.222 0.000 0.848 160 K HN -0.080 nan 8.250 nan 0.000 0.528 161 V N 0.304 120.499 119.914 0.468 0.000 2.495 161 V HA 0.675 4.794 4.120 -0.001 0.000 0.298 161 V C 0.470 176.198 176.094 -0.610 0.000 1.031 161 V CA -0.909 61.441 62.300 0.085 0.000 0.871 161 V CB 1.724 33.623 31.823 0.128 0.000 0.988 161 V HN 0.263 nan 8.190 nan 0.000 0.432 162 G N 2.801 110.975 108.800 -1.043 0.000 2.816 162 G HA2 0.781 4.740 3.960 -0.001 0.000 0.288 162 G HA3 0.781 4.740 3.960 -0.001 0.000 0.288 162 G C -2.062 172.080 174.900 -1.264 0.000 1.334 162 G CA -0.580 43.572 45.100 -1.580 0.000 0.978 162 G HN 0.472 nan 8.290 nan 0.000 0.493 163 Y N -0.865 119.252 120.300 -0.305 0.000 2.492 163 Y HA 0.548 5.097 4.550 -0.002 0.000 0.346 163 Y C -1.067 174.875 175.900 0.070 0.000 0.997 163 Y CA -1.059 56.984 58.100 -0.095 0.000 1.025 163 Y CB 3.003 41.374 38.460 -0.148 0.000 1.263 163 Y HN 0.484 nan 8.280 nan 0.000 0.454 164 D N 1.885 122.513 120.400 0.381 0.000 2.402 164 D HA 0.295 4.934 4.640 -0.001 0.000 0.252 164 D C -1.805 174.826 176.300 0.552 0.000 1.294 164 D CA -0.497 53.797 54.000 0.490 0.000 0.948 164 D CB 0.444 41.592 40.800 0.580 0.000 1.202 164 D HN 0.176 nan 8.370 nan 0.000 0.561 165 F N 2.196 122.343 119.950 0.328 0.000 2.413 165 F HA 0.318 4.844 4.527 -0.002 0.000 0.359 165 F C 0.953 176.791 175.800 0.062 0.000 1.122 165 F CA -1.313 56.719 58.000 0.053 0.000 1.160 165 F CB 0.992 39.865 39.000 -0.211 0.000 1.146 165 F HN 0.257 nan 8.300 nan 0.000 0.514 166 S N 2.370 118.195 115.700 0.208 0.000 2.399 166 S HA 0.811 5.280 4.470 -0.001 0.000 0.215 166 S C -0.128 174.540 174.600 0.113 0.000 1.456 166 S CA -0.008 58.265 58.200 0.122 0.000 1.199 166 S CB 0.693 63.924 63.200 0.051 0.000 1.063 166 S HN 1.264 nan 8.310 nan 0.000 0.476 167 G N 2.905 111.772 108.800 0.111 0.000 2.325 167 G HA2 0.223 4.182 3.960 -0.001 0.000 0.285 167 G HA3 0.223 4.182 3.960 -0.001 0.000 0.285 167 G C -3.589 171.298 174.900 -0.022 0.000 1.303 167 G CA -0.515 44.672 45.100 0.145 0.000 0.970 167 G HN 0.560 nan 8.290 nan 0.000 0.490 168 P HA 0.390 nan 4.420 nan 0.000 0.279 168 P C -0.263 177.120 177.300 0.139 0.000 1.276 168 P CA -0.222 62.826 63.100 -0.086 0.000 0.801 168 P CB 0.647 32.246 31.700 -0.169 0.000 1.127 169 Y N -0.638 119.548 120.300 -0.189 0.000 2.466 169 Y HA 0.281 4.831 4.550 -0.001 0.000 0.272 169 Y C 1.020 176.779 175.900 -0.235 0.000 1.169 169 Y CA -0.196 57.772 58.100 -0.220 0.000 1.285 169 Y CB -0.617 37.710 38.460 -0.222 0.000 1.078 169 Y HN 0.191 nan 8.280 nan 0.000 0.523 170 L N -3.484 117.714 121.223 -0.041 0.000 2.434 170 L HA 0.600 4.939 4.340 -0.001 0.000 0.260 170 L C -2.326 174.501 176.870 -0.072 0.000 0.983 170 L CA -2.102 52.691 54.840 -0.080 0.000 0.820 170 L CB 2.237 44.248 42.059 -0.080 0.000 1.361 170 L HN -0.432 nan 8.230 nan 0.000 0.410 171 P HA 0.057 nan 4.420 nan 0.000 0.222 171 P C -0.149 177.107 177.300 -0.073 0.000 1.147 171 P CA 0.791 63.857 63.100 -0.058 0.000 0.790 171 P CB 0.293 31.970 31.700 -0.038 0.000 0.780 172 S N -1.736 113.918 115.700 -0.077 0.000 2.579 172 S HA 0.416 4.885 4.470 -0.001 0.000 0.272 172 S C -0.660 173.879 174.600 -0.102 0.000 1.141 172 S CA -0.775 57.368 58.200 -0.095 0.000 0.843 172 S CB 1.161 64.339 63.200 -0.036 0.000 1.122 172 S HN -0.133 nan 8.310 nan 0.000 0.468 173 L N 2.447 123.584 121.223 -0.143 0.000 2.461 173 L HA 0.285 4.625 4.340 -0.001 0.000 0.272 173 L C -2.129 174.718 176.870 -0.039 0.000 1.197 173 L CA -1.486 53.285 54.840 -0.116 0.000 0.836 173 L CB 0.044 42.013 42.059 -0.150 0.000 1.105 173 L HN 0.380 nan 8.230 nan 0.000 0.477 174 P HA 0.095 nan 4.420 nan 0.000 0.271 174 P C -0.437 176.883 177.300 0.034 0.000 1.216 174 P CA -0.453 62.654 63.100 0.012 0.000 0.771 174 P CB 0.583 32.300 31.700 0.027 0.000 0.864 175 T N -0.054 114.527 114.554 0.044 0.000 2.813 175 T HA 0.161 4.510 4.350 -0.001 0.000 0.297 175 T C 1.433 176.199 174.700 0.111 0.000 1.036 175 T CA -0.556 61.585 62.100 0.069 0.000 1.044 175 T CB 0.231 69.135 68.868 0.060 0.000 0.993 175 T HN 0.163 nan 8.240 nan 0.000 0.535 176 L N 0.191 121.506 121.223 0.154 0.000 2.017 176 L HA -0.077 4.263 4.340 -0.001 0.000 0.208 176 L C 2.729 179.743 176.870 0.240 0.000 1.073 176 L CA 2.001 57.005 54.840 0.272 0.000 0.745 176 L CB -0.723 41.513 42.059 0.296 0.000 0.894 176 L HN 0.857 nan 8.230 nan 0.000 0.432 177 D N -0.043 120.450 120.400 0.155 0.000 2.116 177 D HA -0.225 4.414 4.640 -0.001 0.000 0.193 177 D C 2.121 178.429 176.300 0.013 0.000 0.998 177 D CA 1.578 55.627 54.000 0.081 0.000 0.836 177 D CB 0.111 40.945 40.800 0.058 0.000 0.951 177 D HN 0.281 nan 8.370 nan 0.000 0.449 178 A N -0.732 122.102 122.820 0.025 0.000 1.902 178 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 178 A C 2.381 179.956 177.584 -0.015 0.000 1.181 178 A CA 2.317 54.353 52.037 -0.003 0.000 0.623 178 A CB -1.050 17.957 19.000 0.011 0.000 0.818 178 A HN 0.353 nan 8.150 nan 0.000 0.443 179 T N -1.506 113.066 114.554 0.030 0.000 2.708 179 T HA -0.158 4.191 4.350 -0.001 0.000 0.266 179 T C 1.823 176.456 174.700 -0.111 0.000 1.037 179 T CA 1.519 63.628 62.100 0.016 0.000 1.146 179 T CB -0.512 68.479 68.868 0.204 0.000 0.865 179 T HN 0.763 nan 8.240 nan 0.000 0.435 180 H N 0.516 119.342 119.070 -0.407 0.000 2.352 180 H HA -0.141 4.415 4.556 -0.001 0.000 0.299 180 H C 2.513 177.628 175.328 -0.355 0.000 1.097 180 H CA 1.552 57.106 56.048 -0.824 0.000 1.311 180 H CB 0.113 29.164 29.762 -1.185 0.000 1.377 180 H HN 0.233 nan 8.280 nan 0.000 0.504 181 E N 0.786 120.870 120.200 -0.194 0.000 2.153 181 E HA -0.102 4.247 4.350 -0.001 0.000 0.194 181 E C 2.153 178.638 176.600 -0.192 0.000 0.988 181 E CA 1.182 57.451 56.400 -0.218 0.000 0.811 181 E CB -0.352 29.244 29.700 -0.173 0.000 0.746 181 E HN 0.534 nan 8.360 nan 0.000 0.466 182 A N -0.427 122.305 122.820 -0.147 0.000 1.898 182 A HA -0.153 4.166 4.320 -0.001 0.000 0.216 182 A C 1.984 179.563 177.584 -0.007 0.000 1.181 182 A CA 1.457 53.427 52.037 -0.111 0.000 0.620 182 A CB -0.954 18.071 19.000 0.042 0.000 0.819 182 A HN 0.382 nan 8.150 nan 0.000 0.442 183 Y N 0.396 120.745 120.300 0.082 0.000 2.128 183 Y HA -0.200 4.349 4.550 -0.002 0.000 0.284 183 Y C 2.397 178.237 175.900 -0.101 0.000 1.154 183 Y CA 1.714 59.773 58.100 -0.068 0.000 1.149 183 Y CB -0.472 37.901 38.460 -0.144 0.000 0.976 183 Y HN 0.265 nan 8.280 nan 0.000 0.505 184 K N 0.172 120.580 120.400 0.012 0.000 2.063 184 K HA -0.201 4.119 4.320 -0.001 0.000 0.208 184 K C 2.049 178.564 176.600 -0.142 0.000 1.048 184 K CA 1.616 57.853 56.287 -0.085 0.000 0.928 184 K CB -0.202 32.195 32.500 -0.172 0.000 0.713 184 K HN 0.257 nan 8.250 nan 0.000 0.442 185 K N 0.117 120.353 120.400 -0.273 0.000 2.147 185 K HA -0.078 4.241 4.320 -0.001 0.000 0.205 185 K C 1.900 178.319 176.600 -0.302 0.000 1.049 185 K CA 1.087 57.083 56.287 -0.485 0.000 0.936 185 K CB 0.007 31.808 32.500 -1.164 0.000 0.722 185 K HN 0.123 nan 8.250 nan 0.000 0.446 186 A N 0.265 123.032 122.820 -0.088 0.000 2.208 186 A HA 0.139 4.458 4.320 -0.001 0.000 0.209 186 A C 1.300 178.906 177.584 0.036 0.000 1.161 186 A CA 0.882 53.002 52.037 0.139 0.000 0.782 186 A CB -0.242 18.975 19.000 0.362 0.000 0.816 186 A HN 0.402 nan 8.150 nan 0.000 0.477 187 G N -1.386 107.401 108.800 -0.022 0.000 2.160 187 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.244 187 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.244 187 G C 0.007 174.853 174.900 -0.090 0.000 1.022 187 G CA 0.183 45.260 45.100 -0.039 0.000 0.741 187 G HN 0.816 nan 8.290 nan 0.000 0.508 188 V N 1.622 121.467 119.914 -0.115 0.000 2.333 188 V HA 0.475 4.594 4.120 -0.001 0.000 0.274 188 V C 0.514 176.530 176.094 -0.130 0.000 1.028 188 V CA 0.196 62.355 62.300 -0.234 0.000 0.851 188 V CB 1.595 33.180 31.823 -0.397 0.000 1.000 188 V HN 0.456 nan 8.190 nan 0.000 0.456 189 D N 2.575 122.897 120.400 -0.130 0.000 2.479 189 D HA 0.411 5.050 4.640 -0.001 0.000 0.218 189 D C 0.461 176.738 176.300 -0.037 0.000 1.177 189 D CA 0.256 54.229 54.000 -0.045 0.000 0.830 189 D CB 1.252 42.043 40.800 -0.015 0.000 1.014 189 D HN 0.627 nan 8.370 nan 0.000 0.503 190 G N -0.867 107.869 108.800 -0.108 0.000 2.428 190 G HA2 0.334 4.293 3.960 -0.001 0.000 0.304 190 G HA3 0.334 4.293 3.960 -0.001 0.000 0.304 190 G C -0.937 173.956 174.900 -0.011 0.000 1.303 190 G CA -0.707 44.397 45.100 0.006 0.000 0.825 190 G HN 0.237 nan 8.290 nan 0.000 0.484 191 H N -1.477 117.483 119.070 -0.185 0.000 2.882 191 H HA -0.156 4.400 4.556 -0.001 0.000 0.314 191 H C -0.305 174.812 175.328 -0.351 0.000 1.270 191 H CA 0.577 56.267 56.048 -0.596 0.000 1.165 191 H CB -1.439 27.514 29.762 -1.348 0.000 1.436 191 H HN 0.370 nan 8.280 nan 0.000 0.431 192 I N 1.074 121.662 120.570 0.030 0.000 2.339 192 I HA 0.181 4.351 4.170 -0.001 0.000 0.290 192 I C -0.011 176.269 176.117 0.272 0.000 0.994 192 I CA -0.349 60.904 61.300 -0.079 0.000 1.191 192 I CB 0.694 38.462 38.000 -0.386 0.000 1.343 192 I HN 0.080 nan 8.210 nan 0.000 0.458 193 W N 7.078 128.382 121.300 0.007 0.000 2.551 193 W HA 0.609 5.269 4.660 -0.000 0.000 0.330 193 W C -0.660 176.017 176.519 0.263 0.000 1.063 193 W CA -0.753 56.675 57.345 0.139 0.000 1.222 193 W CB 1.360 30.903 29.460 0.138 0.000 1.349 193 W HN 0.208 nan 8.180 nan 0.000 0.536 194 L N 3.600 125.042 121.223 0.365 0.000 2.341 194 L HA 0.639 4.978 4.340 -0.001 0.000 0.278 194 L C -0.010 176.988 176.870 0.214 0.000 1.005 194 L CA -0.312 54.700 54.840 0.288 0.000 0.818 194 L CB 1.194 43.326 42.059 0.122 0.000 1.259 194 L HN 0.405 nan 8.230 nan 0.000 0.418 195 S N 2.053 117.791 115.700 0.064 0.000 2.525 195 S HA 0.746 5.215 4.470 -0.001 0.000 0.290 195 S C -0.894 173.595 174.600 -0.187 0.000 1.152 195 S CA -0.757 57.269 58.200 -0.289 0.000 1.072 195 S CB 1.968 64.946 63.200 -0.371 0.000 1.027 195 S HN 0.727 nan 8.310 nan 0.000 0.500 196 D N -0.975 119.317 120.400 -0.179 0.000 2.602 196 D HA 0.649 5.289 4.640 -0.001 0.000 0.236 196 D C 0.697 176.672 176.300 -0.541 0.000 1.209 196 D CA 0.427 54.292 54.000 -0.225 0.000 0.831 196 D CB 1.354 42.128 40.800 -0.042 0.000 1.478 196 D HN 0.883 nan 8.370 nan 0.000 0.438 197 G N 0.359 108.834 108.800 -0.541 0.000 2.391 197 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.204 197 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.204 197 G C 1.077 175.766 174.900 -0.353 0.000 1.012 197 G CA 0.256 44.885 45.100 -0.786 0.000 0.651 197 G HN 0.444 nan 8.290 nan 0.000 0.494 198 L N 1.725 122.755 121.223 -0.321 0.000 2.156 198 L HA 0.159 4.498 4.340 -0.001 0.000 0.208 198 L C 1.953 178.736 176.870 -0.145 0.000 1.095 198 L CA 1.680 56.406 54.840 -0.189 0.000 0.770 198 L CB -0.333 41.592 42.059 -0.223 0.000 0.914 198 L HN 0.575 nan 8.230 nan 0.000 0.439 199 T N -1.190 113.203 114.554 -0.269 0.000 2.799 199 T HA 0.358 4.707 4.350 -0.001 0.000 0.286 199 T C -0.133 174.526 174.700 -0.068 0.000 0.973 199 T CA -0.688 61.273 62.100 -0.232 0.000 1.035 199 T CB 0.961 69.502 68.868 -0.545 0.000 0.932 199 T HN 0.438 nan 8.240 nan 0.000 0.469 200 N N 2.239 120.962 118.700 0.039 0.000 2.732 200 N HA 0.246 4.985 4.740 -0.001 0.000 0.235 200 N C -0.101 175.497 175.510 0.147 0.000 1.466 200 N CA -0.962 52.140 53.050 0.088 0.000 0.751 200 N CB 0.431 38.947 38.487 0.048 0.000 1.317 200 N HN 0.574 nan 8.380 nan 0.000 0.525 201 F N -0.133 119.789 119.950 -0.047 0.000 2.776 201 F HA 0.456 4.983 4.527 -0.001 0.000 0.300 201 F C 0.229 176.016 175.800 -0.022 0.000 1.116 201 F CA -0.653 57.330 58.000 -0.028 0.000 1.375 201 F CB 0.330 39.313 39.000 -0.028 0.000 1.109 201 F HN 0.252 nan 8.300 nan 0.000 0.585 202 S N 1.055 116.473 115.700 -0.471 0.000 2.413 202 S HA 0.384 4.854 4.470 -0.001 0.000 0.170 202 S C -2.233 172.237 174.600 -0.216 0.000 1.294 202 S CA -0.869 57.008 58.200 -0.539 0.000 1.201 202 S CB 0.421 63.045 63.200 -0.960 0.000 1.328 202 S HN -0.117 nan 8.310 nan 0.000 0.418 203 P HA -0.093 nan 4.420 nan 0.000 0.216 203 P C 1.382 178.653 177.300 -0.047 0.000 1.150 203 P CA 0.991 64.060 63.100 -0.051 0.000 0.843 203 P CB 0.068 31.746 31.700 -0.036 0.000 0.787 204 L N -1.200 119.981 121.223 -0.070 0.000 2.012 204 L HA -0.104 4.236 4.340 -0.001 0.000 0.210 204 L C 2.716 179.559 176.870 -0.045 0.000 1.073 204 L CA 2.166 56.974 54.840 -0.053 0.000 0.748 204 L CB -1.889 40.133 42.059 -0.062 0.000 0.891 204 L HN 0.032 nan 8.230 nan 0.000 0.431 205 G N -1.290 107.467 108.800 -0.072 0.000 2.448 205 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.218 205 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.218 205 G C 1.275 176.174 174.900 -0.002 0.000 1.135 205 G CA 0.508 45.583 45.100 -0.041 0.000 0.784 205 G HN 0.311 nan 8.290 nan 0.000 0.543 206 D N -0.016 120.382 120.400 -0.003 0.000 2.123 206 D HA -0.071 4.568 4.640 -0.001 0.000 0.200 206 D C 2.442 178.765 176.300 0.039 0.000 0.976 206 D CA 0.504 54.522 54.000 0.029 0.000 0.831 206 D CB -0.024 40.797 40.800 0.035 0.000 0.974 206 D HN 0.072 nan 8.370 nan 0.000 0.469 207 M N 1.448 121.063 119.600 0.025 0.000 2.082 207 M HA -0.172 4.307 4.480 -0.001 0.000 0.258 207 M C 2.203 178.516 176.300 0.021 0.000 1.069 207 M CA 1.293 56.606 55.300 0.022 0.000 1.102 207 M CB -0.936 31.667 32.600 0.005 0.000 1.336 207 M HN -0.064 nan 8.290 nan 0.000 0.404 208 A N -0.328 122.500 122.820 0.013 0.000 1.902 208 A HA -0.225 4.094 4.320 -0.001 0.000 0.217 208 A C 2.217 179.816 177.584 0.025 0.000 1.181 208 A CA 2.100 54.146 52.037 0.015 0.000 0.623 208 A CB -0.726 18.279 19.000 0.008 0.000 0.818 208 A HN 0.604 nan 8.150 nan 0.000 0.443 209 R N -0.604 119.914 120.500 0.031 0.000 2.083 209 R HA -0.141 4.198 4.340 -0.001 0.000 0.237 209 R C 1.970 178.293 176.300 0.038 0.000 1.137 209 R CA 1.928 58.050 56.100 0.036 0.000 0.951 209 R CB -0.625 29.696 30.300 0.035 0.000 0.851 209 R HN 0.381 nan 8.270 nan 0.000 0.434 210 L N 1.143 122.395 121.223 0.048 0.000 2.017 210 L HA -0.138 4.202 4.340 -0.001 0.000 0.208 210 L C 1.858 178.750 176.870 0.036 0.000 1.073 210 L CA 1.900 56.775 54.840 0.058 0.000 0.745 210 L CB -0.437 41.681 42.059 0.097 0.000 0.894 210 L HN 0.125 nan 8.230 nan 0.000 0.432 211 K N -0.135 120.282 120.400 0.028 0.000 2.063 211 K HA -0.251 4.068 4.320 -0.001 0.000 0.208 211 K C 2.060 178.670 176.600 0.017 0.000 1.048 211 K CA 1.760 58.058 56.287 0.019 0.000 0.928 211 K CB -0.420 32.089 32.500 0.015 0.000 0.713 211 K HN 0.590 nan 8.250 nan 0.000 0.442 212 E N 0.619 120.832 120.200 0.023 0.000 2.110 212 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 212 E C 1.857 178.467 176.600 0.016 0.000 0.988 212 E CA 1.050 57.465 56.400 0.026 0.000 0.804 212 E CB 0.047 29.769 29.700 0.037 0.000 0.745 212 E HN 0.251 nan 8.360 nan 0.000 0.458 213 A N 0.930 123.757 122.820 0.012 0.000 1.897 213 A HA -0.094 4.226 4.320 -0.001 0.000 0.215 213 A C 2.135 179.693 177.584 -0.042 0.000 1.181 213 A CA 0.938 52.965 52.037 -0.018 0.000 0.620 213 A CB -0.468 18.530 19.000 -0.004 0.000 0.821 213 A HN 0.288 nan 8.150 nan 0.000 0.443 214 I N -0.357 120.204 120.570 -0.015 0.000 2.179 214 I HA -0.277 3.892 4.170 -0.001 0.000 0.242 214 I C 2.536 178.642 176.117 -0.018 0.000 1.088 214 I CA 1.888 63.179 61.300 -0.014 0.000 1.357 214 I CB -0.225 37.779 38.000 0.007 0.000 1.051 214 I HN 0.366 nan 8.210 nan 0.000 0.409 215 K N 0.497 120.892 120.400 -0.007 0.000 2.032 215 K HA -0.248 4.071 4.320 -0.001 0.000 0.209 215 K C 2.372 178.961 176.600 -0.018 0.000 1.048 215 K CA 2.026 58.310 56.287 -0.004 0.000 0.927 215 K CB -0.176 32.329 32.500 0.008 0.000 0.712 215 K HN 0.160 nan 8.250 nan 0.000 0.441 216 S N 0.560 116.241 115.700 -0.032 0.000 2.353 216 S HA -0.190 4.279 4.470 -0.001 0.000 0.222 216 S C 2.093 176.610 174.600 -0.138 0.000 1.035 216 S CA 1.450 59.612 58.200 -0.064 0.000 1.025 216 S CB -0.341 62.814 63.200 -0.075 0.000 0.902 216 S HN 0.414 nan 8.310 nan 0.000 0.440 217 R N 0.408 120.807 120.500 -0.167 0.000 2.103 217 R HA -0.119 4.221 4.340 -0.001 0.000 0.242 217 R C 0.655 176.897 176.300 -0.097 0.000 1.142 217 R CA 1.992 57.986 56.100 -0.178 0.000 0.960 217 R CB -0.406 29.811 30.300 -0.138 0.000 0.858 217 R HN 0.389 nan 8.270 nan 0.000 0.439 218 D N 0.356 120.722 120.400 -0.055 0.000 2.328 218 D HA 0.011 4.650 4.640 -0.001 0.000 0.221 218 D C 0.291 176.577 176.300 -0.024 0.000 1.072 218 D CA 0.273 54.255 54.000 -0.029 0.000 0.850 218 D CB 0.434 41.230 40.800 -0.007 0.000 0.922 218 D HN 0.251 nan 8.370 nan 0.000 0.516 219 S N -0.415 115.270 115.700 -0.025 0.000 2.614 219 S HA 0.473 4.942 4.470 -0.001 0.000 0.265 219 S C 1.548 176.149 174.600 0.001 0.000 1.303 219 S CA -0.266 57.932 58.200 -0.003 0.000 1.000 219 S CB 2.005 65.213 63.200 0.012 0.000 0.935 219 S HN 0.036 nan 8.310 nan 0.000 0.551 220 A N 1.597 124.424 122.820 0.013 0.000 1.933 220 A HA -0.043 4.276 4.320 -0.001 0.000 0.218 220 A C 1.333 178.934 177.584 0.029 0.000 1.175 220 A CA 1.598 53.645 52.037 0.015 0.000 0.628 220 A CB -0.990 18.021 19.000 0.018 0.000 0.814 220 A HN 0.861 nan 8.150 nan 0.000 0.444 221 N N -0.374 118.355 118.700 0.048 0.000 2.389 221 N HA 0.347 5.086 4.740 -0.001 0.000 0.260 221 N C 0.393 175.964 175.510 0.101 0.000 1.191 221 N CA 0.445 53.542 53.050 0.079 0.000 0.885 221 N CB 0.689 39.234 38.487 0.097 0.000 1.162 221 N HN 0.403 nan 8.380 nan 0.000 0.512 222 G N -0.092 108.733 108.800 0.041 0.000 2.554 222 G HA2 0.198 4.157 3.960 -0.001 0.000 0.238 222 G HA3 0.198 4.157 3.960 -0.001 0.000 0.238 222 G C 0.413 175.297 174.900 -0.027 0.000 1.259 222 G CA -0.324 44.762 45.100 -0.024 0.000 0.843 222 G HN 0.395 nan 8.290 nan 0.000 0.582 223 F N -0.155 119.662 119.950 -0.222 0.000 2.694 223 F HA 0.463 4.989 4.527 -0.001 0.000 0.292 223 F C 0.752 176.428 175.800 -0.207 0.000 1.121 223 F CA -0.794 57.025 58.000 -0.301 0.000 1.352 223 F CB 0.043 38.589 39.000 -0.757 0.000 1.107 223 F HN 0.124 nan 8.300 nan 0.000 0.597 224 I N 2.665 122.728 120.570 -0.845 0.000 2.471 224 I HA 0.091 4.260 4.170 -0.001 0.000 0.286 224 I C 0.372 176.342 176.117 -0.246 0.000 1.079 224 I CA 0.235 61.214 61.300 -0.535 0.000 1.398 224 I CB 0.938 38.596 38.000 -0.571 0.000 1.403 224 I HN 0.233 nan 8.210 nan 0.000 0.530 225 N N 4.463 123.095 118.700 -0.114 0.000 2.278 225 N HA 0.061 4.800 4.740 -0.001 0.000 0.181 225 N C -0.274 175.133 175.510 -0.172 0.000 1.023 225 N CA 0.673 53.694 53.050 -0.050 0.000 0.862 225 N CB 0.298 38.859 38.487 0.123 0.000 1.003 225 N HN 0.407 nan 8.380 nan 0.000 0.431 226 K N 0.666 120.847 120.400 -0.365 0.000 2.426 226 K HA 0.465 4.784 4.320 -0.001 0.000 0.251 226 K C -1.176 175.125 176.600 -0.497 0.000 0.941 226 K CA -0.409 55.472 56.287 -0.677 0.000 0.808 226 K CB 2.640 34.135 32.500 -1.674 0.000 1.265 226 K HN -0.035 nan 8.250 nan 0.000 0.432 227 I N 2.735 123.109 120.570 -0.327 0.000 2.406 227 I HA 0.376 4.545 4.170 -0.001 0.000 0.290 227 I C -0.815 175.301 176.117 -0.001 0.000 0.999 227 I CA -1.137 60.110 61.300 -0.088 0.000 1.124 227 I CB 1.221 39.199 38.000 -0.037 0.000 1.289 227 I HN 0.536 nan 8.210 nan 0.000 0.441 228 Y N 4.529 124.784 120.300 -0.076 0.000 2.446 228 Y HA 0.582 5.131 4.550 -0.001 0.000 0.345 228 Y C -1.528 174.487 175.900 0.192 0.000 0.984 228 Y CA -1.315 56.796 58.100 0.017 0.000 1.058 228 Y CB 1.176 39.638 38.460 0.003 0.000 1.220 228 Y HN 0.467 nan 8.280 nan 0.000 0.455 229 Y N 4.022 124.361 120.300 0.066 0.000 2.353 229 Y HA 0.415 4.964 4.550 -0.001 0.000 0.340 229 Y C -1.541 174.395 175.900 0.060 0.000 0.972 229 Y CA -1.279 56.854 58.100 0.054 0.000 1.157 229 Y CB 0.692 39.168 38.460 0.026 0.000 1.157 229 Y HN 0.765 nan 8.280 nan 0.000 0.495 230 W N 4.757 125.744 121.300 -0.522 0.000 2.335 230 W HA 0.588 5.247 4.660 -0.002 0.000 0.307 230 W C -0.350 175.869 176.519 -0.500 0.000 1.117 230 W CA -0.565 56.563 57.345 -0.361 0.000 1.228 230 W CB 1.652 30.915 29.460 -0.328 0.000 1.240 230 W HN 0.400 nan 8.180 nan 0.000 0.468 231 S N 2.645 118.357 115.700 0.020 0.000 2.546 231 S HA 0.723 5.192 4.470 -0.001 0.000 0.272 231 S C -1.386 173.302 174.600 0.147 0.000 1.140 231 S CA -0.746 57.469 58.200 0.026 0.000 0.920 231 S CB 0.713 63.799 63.200 -0.189 0.000 1.083 231 S HN 0.468 nan 8.310 nan 0.000 0.476 232 V N 1.905 121.906 119.914 0.144 0.000 2.531 232 V HA 0.724 4.843 4.120 -0.001 0.000 0.301 232 V C -0.770 175.394 176.094 0.117 0.000 1.034 232 V CA -0.586 61.798 62.300 0.140 0.000 0.865 232 V CB 1.913 33.798 31.823 0.103 0.000 0.995 232 V HN 0.766 nan 8.190 nan 0.000 0.424 233 D N 1.941 122.430 120.400 0.148 0.000 2.500 233 D HA 0.230 4.869 4.640 -0.001 0.000 0.218 233 D C 0.366 176.765 176.300 0.165 0.000 1.140 233 D CA 0.258 54.408 54.000 0.250 0.000 0.830 233 D CB 0.914 41.958 40.800 0.406 0.000 1.055 233 D HN 0.630 nan 8.370 nan 0.000 0.512 234 K N 0.347 120.794 120.400 0.079 0.000 2.166 234 K HA 0.367 4.686 4.320 -0.001 0.000 0.245 234 K C 1.004 177.593 176.600 -0.017 0.000 0.967 234 K CA -0.698 55.602 56.287 0.022 0.000 0.863 234 K CB 3.000 35.506 32.500 0.011 0.000 1.107 234 K HN -0.328 nan 8.250 nan 0.000 0.436 235 V N 1.171 121.059 119.914 -0.043 0.000 2.343 235 V HA -0.285 3.834 4.120 -0.001 0.000 0.247 235 V C 2.345 178.375 176.094 -0.107 0.000 1.051 235 V CA 2.551 64.800 62.300 -0.084 0.000 1.036 235 V CB -0.575 31.196 31.823 -0.086 0.000 0.654 235 V HN 0.970 nan 8.190 nan 0.000 0.451 236 S N 0.853 116.509 115.700 -0.074 0.000 2.368 236 S HA -0.236 4.233 4.470 -0.001 0.000 0.225 236 S C 2.047 176.599 174.600 -0.080 0.000 1.030 236 S CA 1.947 60.105 58.200 -0.070 0.000 0.999 236 S CB -1.041 62.135 63.200 -0.042 0.000 0.844 236 S HN 0.753 nan 8.310 nan 0.000 0.459 237 T N -1.048 113.465 114.554 -0.068 0.000 2.985 237 T HA -0.003 4.346 4.350 -0.001 0.000 0.266 237 T C 1.850 176.478 174.700 -0.121 0.000 1.076 237 T CA 1.414 63.463 62.100 -0.085 0.000 1.135 237 T CB -1.199 67.643 68.868 -0.043 0.000 0.890 237 T HN 0.404 nan 8.240 nan 0.000 0.480 238 T N 2.045 116.535 114.554 -0.107 0.000 2.708 238 T HA -0.027 4.322 4.350 -0.001 0.000 0.266 238 T C 1.958 176.540 174.700 -0.197 0.000 1.037 238 T CA 1.310 63.332 62.100 -0.131 0.000 1.146 238 T CB -0.228 68.572 68.868 -0.113 0.000 0.865 238 T HN 0.465 nan 8.240 nan 0.000 0.435 239 K N 1.066 121.324 120.400 -0.237 0.000 2.057 239 K HA 0.005 4.324 4.320 -0.001 0.000 0.207 239 K C 2.675 179.236 176.600 -0.066 0.000 1.049 239 K CA 1.205 57.333 56.287 -0.265 0.000 0.931 239 K CB -0.309 31.983 32.500 -0.346 0.000 0.714 239 K HN 0.279 nan 8.250 nan 0.000 0.440 240 A N 1.525 124.293 122.820 -0.088 0.000 1.902 240 A HA -0.148 4.171 4.320 -0.001 0.000 0.217 240 A C 2.372 179.872 177.584 -0.139 0.000 1.181 240 A CA 1.919 53.907 52.037 -0.081 0.000 0.623 240 A CB -0.711 18.226 19.000 -0.105 0.000 0.818 240 A HN 0.348 nan 8.150 nan 0.000 0.443 241 A N -0.209 122.485 122.820 -0.210 0.000 1.877 241 A HA -0.059 4.261 4.320 -0.001 0.000 0.216 241 A C 2.183 179.642 177.584 -0.208 0.000 1.186 241 A CA 1.523 53.407 52.037 -0.255 0.000 0.620 241 A CB -0.660 18.182 19.000 -0.264 0.000 0.822 241 A HN 0.472 nan 8.150 nan 0.000 0.443 242 L N -0.535 120.526 121.223 -0.270 0.000 2.046 242 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 242 L C 1.996 178.654 176.870 -0.353 0.000 1.077 242 L CA 1.516 56.041 54.840 -0.525 0.000 0.747 242 L CB -0.644 40.891 42.059 -0.874 0.000 0.896 242 L HN 0.321 nan 8.230 nan 0.000 0.432 243 D N -0.445 119.900 120.400 -0.091 0.000 2.183 243 D HA -0.120 4.519 4.640 -0.001 0.000 0.203 243 D C 2.190 178.516 176.300 0.044 0.000 0.969 243 D CA 1.456 55.503 54.000 0.079 0.000 0.842 243 D CB -0.019 40.856 40.800 0.125 0.000 0.957 243 D HN 0.328 nan 8.370 nan 0.000 0.484 244 V N -2.525 117.378 119.914 -0.019 0.000 3.041 244 V HA 0.279 4.398 4.120 -0.001 0.000 0.260 244 V C 1.439 177.539 176.094 0.010 0.000 1.105 244 V CA 1.228 63.521 62.300 -0.012 0.000 1.125 244 V CB -0.239 31.556 31.823 -0.047 0.000 0.730 244 V HN 0.233 nan 8.190 nan 0.000 0.479 245 G N 0.287 109.091 108.800 0.006 0.000 2.141 245 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.164 245 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.164 245 G C 0.050 174.959 174.900 0.015 0.000 1.009 245 G CA 0.138 45.267 45.100 0.048 0.000 0.677 245 G HN 1.670 nan 8.290 nan 0.000 0.508 246 V N -2.211 117.685 119.914 -0.030 0.000 3.051 246 V HA 0.566 4.685 4.120 -0.001 0.000 0.306 246 V C 0.975 177.051 176.094 -0.030 0.000 1.083 246 V CA 0.662 62.952 62.300 -0.017 0.000 1.104 246 V CB 1.310 33.142 31.823 0.015 0.000 1.027 246 V HN 0.109 nan 8.190 nan 0.000 0.483 247 D N 2.180 122.554 120.400 -0.044 0.000 2.355 247 D HA 0.242 4.882 4.640 -0.001 0.000 0.206 247 D C 0.740 177.074 176.300 0.057 0.000 1.010 247 D CA 1.329 55.311 54.000 -0.030 0.000 0.875 247 D CB 0.993 41.687 40.800 -0.177 0.000 0.966 247 D HN 0.892 nan 8.370 nan 0.000 0.512 248 G N 0.483 109.302 108.800 0.031 0.000 2.667 248 G HA2 0.608 4.567 3.960 -0.001 0.000 0.298 248 G HA3 0.608 4.567 3.960 -0.001 0.000 0.298 248 G C -1.275 173.725 174.900 0.168 0.000 1.377 248 G CA -0.493 44.691 45.100 0.139 0.000 0.964 248 G HN -0.022 nan 8.290 nan 0.000 0.493 249 I N 1.888 122.551 120.570 0.156 0.000 2.468 249 I HA 0.307 4.476 4.170 -0.001 0.000 0.285 249 I C -0.196 175.975 176.117 0.090 0.000 1.039 249 I CA -0.600 60.772 61.300 0.121 0.000 1.074 249 I CB 2.126 40.162 38.000 0.059 0.000 1.228 249 I HN 0.470 nan 8.210 nan 0.000 0.436 250 M N 6.698 126.317 119.600 0.032 0.000 2.180 250 M HA 0.436 4.916 4.480 -0.001 0.000 0.358 250 M C -0.450 175.810 176.300 -0.067 0.000 1.233 250 M CA 0.615 55.851 55.300 -0.107 0.000 1.114 250 M CB 1.128 33.463 32.600 -0.442 0.000 1.594 250 M HN 0.605 nan 8.290 nan 0.000 0.467 251 T N 2.582 117.110 114.554 -0.043 0.000 2.932 251 T HA 0.371 4.720 4.350 -0.001 0.000 0.318 251 T C 0.110 174.793 174.700 -0.030 0.000 1.265 251 T CA -0.863 61.232 62.100 -0.008 0.000 1.036 251 T CB 1.079 69.981 68.868 0.056 0.000 1.209 251 T HN 0.823 nan 8.240 nan 0.000 0.484 252 N N 1.581 120.191 118.700 -0.150 0.000 2.494 252 N HA 0.055 4.794 4.740 -0.001 0.000 0.182 252 N C -0.736 174.417 175.510 -0.595 0.000 1.076 252 N CA 0.796 53.593 53.050 -0.423 0.000 0.908 252 N CB 0.149 38.194 38.487 -0.737 0.000 0.967 252 N HN 0.588 nan 8.380 nan 0.000 0.449 253 Y N -0.892 119.521 120.300 0.189 0.000 2.592 253 Y HA 0.357 4.907 4.550 -0.001 0.000 0.354 253 Y C -1.959 173.999 175.900 0.095 0.000 1.063 253 Y CA -2.130 56.046 58.100 0.127 0.000 1.205 253 Y CB 1.538 40.039 38.460 0.069 0.000 1.106 253 Y HN -0.108 nan 8.280 nan 0.000 0.649 254 P HA -0.171 nan 4.420 nan 0.000 0.223 254 P C 1.186 178.540 177.300 0.090 0.000 1.144 254 P CA 1.539 64.719 63.100 0.133 0.000 0.783 254 P CB 0.332 32.115 31.700 0.138 0.000 0.771 255 N N -0.601 118.155 118.700 0.094 0.000 2.309 255 N HA -0.087 4.652 4.740 -0.001 0.000 0.182 255 N C 1.438 176.969 175.510 0.036 0.000 1.018 255 N CA 1.060 54.138 53.050 0.047 0.000 0.876 255 N CB -1.218 37.288 38.487 0.032 0.000 0.972 255 N HN 0.052 nan 8.380 nan 0.000 0.434 256 V N 1.631 121.583 119.914 0.062 0.000 2.261 256 V HA -0.210 3.909 4.120 -0.001 0.000 0.246 256 V C 2.605 178.697 176.094 -0.003 0.000 1.047 256 V CA 1.414 63.731 62.300 0.028 0.000 1.015 256 V CB -0.751 31.107 31.823 0.058 0.000 0.642 256 V HN 0.219 nan 8.190 nan 0.000 0.446 257 L N -0.148 121.079 121.223 0.007 0.000 2.046 257 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 257 L C 2.262 179.122 176.870 -0.017 0.000 1.077 257 L CA 1.826 56.655 54.840 -0.019 0.000 0.747 257 L CB -0.674 41.382 42.059 -0.004 0.000 0.896 257 L HN 0.153 nan 8.230 nan 0.000 0.432 258 I N 0.124 120.693 120.570 -0.002 0.000 2.151 258 I HA -0.268 3.902 4.170 -0.001 0.000 0.243 258 I C 2.572 178.685 176.117 -0.007 0.000 1.080 258 I CA 1.652 62.950 61.300 -0.004 0.000 1.339 258 I CB -2.249 35.750 38.000 -0.002 0.000 1.039 258 I HN 0.420 nan 8.210 nan 0.000 0.409 259 G N 0.423 109.214 108.800 -0.014 0.000 2.418 259 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.217 259 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.217 259 G C 1.872 176.754 174.900 -0.030 0.000 1.158 259 G CA 0.941 46.029 45.100 -0.020 0.000 0.771 259 G HN 0.282 nan 8.290 nan 0.000 0.545 260 V N 1.097 120.973 119.914 -0.063 0.000 2.295 260 V HA -0.138 3.981 4.120 -0.001 0.000 0.246 260 V C 2.906 178.987 176.094 -0.021 0.000 1.049 260 V CA 1.462 63.684 62.300 -0.130 0.000 1.024 260 V CB -0.457 31.226 31.823 -0.235 0.000 0.648 260 V HN 0.350 nan 8.190 nan 0.000 0.447 261 L N -0.510 120.727 121.223 0.025 0.000 2.187 261 L HA -0.210 4.130 4.340 -0.001 0.000 0.213 261 L C 2.393 179.322 176.870 0.097 0.000 1.100 261 L CA 1.548 56.449 54.840 0.102 0.000 0.765 261 L CB -0.554 41.539 42.059 0.056 0.000 0.904 261 L HN 0.343 nan 8.230 nan 0.000 0.437 262 K N -0.309 120.125 120.400 0.057 0.000 2.365 262 K HA 0.025 4.344 4.320 -0.001 0.000 0.197 262 K C 0.347 176.988 176.600 0.067 0.000 1.042 262 K CA 0.177 56.492 56.287 0.047 0.000 0.987 262 K CB 0.140 32.653 32.500 0.022 0.000 0.779 262 K HN 0.365 nan 8.250 nan 0.000 0.484 263 E N 1.381 121.641 120.200 0.100 0.000 2.366 263 E HA 0.086 4.435 4.350 -0.001 0.000 0.266 263 E C -0.490 176.216 176.600 0.176 0.000 1.051 263 E CA -0.315 56.163 56.400 0.129 0.000 0.884 263 E CB 1.054 30.834 29.700 0.135 0.000 1.006 263 E HN -0.004 nan 8.360 nan 0.000 0.417 264 S N 1.052 116.825 115.700 0.121 0.000 2.558 264 S HA 0.161 4.630 4.470 -0.001 0.000 0.293 264 S C 1.202 175.865 174.600 0.105 0.000 1.292 264 S CA 0.606 58.855 58.200 0.082 0.000 1.063 264 S CB 0.556 63.787 63.200 0.052 0.000 0.831 264 S HN 0.890 nan 8.310 nan 0.000 0.499 265 G N 1.521 110.303 108.800 -0.029 0.000 2.199 265 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.254 265 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.254 265 G C 0.380 174.936 174.900 -0.574 0.000 0.982 265 G CA 0.614 45.577 45.100 -0.229 0.000 0.632 265 G HN 0.720 nan 8.290 nan 0.000 0.529 266 Y N 0.393 120.724 120.300 0.052 0.000 2.701 266 Y HA 0.148 4.697 4.550 -0.001 0.000 0.275 266 Y C 2.304 178.234 175.900 0.049 0.000 1.133 266 Y CA 0.716 58.911 58.100 0.157 0.000 1.241 266 Y CB -0.315 38.273 38.460 0.213 0.000 1.389 266 Y HN 0.315 nan 8.280 nan 0.000 0.486 267 N N 0.396 119.171 118.700 0.125 0.000 2.453 267 N HA -0.150 4.589 4.740 -0.001 0.000 0.183 267 N C 0.666 176.152 175.510 -0.041 0.000 1.041 267 N CA 1.666 54.746 53.050 0.049 0.000 0.900 267 N CB -0.577 37.939 38.487 0.049 0.000 0.961 267 N HN 0.484 nan 8.380 nan 0.000 0.443 268 D N -0.688 119.650 120.400 -0.104 0.000 2.339 268 D HA 0.007 4.647 4.640 -0.001 0.000 0.217 268 D C 0.890 177.043 176.300 -0.246 0.000 1.050 268 D CA 0.413 54.327 54.000 -0.144 0.000 0.856 268 D CB 0.098 40.821 40.800 -0.129 0.000 0.922 268 D HN 0.333 nan 8.370 nan 0.000 0.518 269 K N -1.351 118.792 120.400 -0.428 0.000 2.511 269 K HA 0.134 4.453 4.320 -0.001 0.000 0.206 269 K C -0.510 175.595 176.600 -0.825 0.000 1.333 269 K CA 0.085 55.921 56.287 -0.752 0.000 0.957 269 K CB 1.108 32.824 32.500 -1.308 0.000 1.172 269 K HN -0.006 nan 8.250 nan 0.000 0.547 270 Y N 1.152 121.418 120.300 -0.056 0.000 2.545 270 Y HA 0.468 5.018 4.550 -0.001 0.000 0.348 270 Y C -0.454 175.403 175.900 -0.071 0.000 1.002 270 Y CA -1.415 56.638 58.100 -0.078 0.000 1.039 270 Y CB 1.537 39.990 38.460 -0.011 0.000 1.271 270 Y HN -0.103 nan 8.280 nan 0.000 0.467 271 R N 0.752 121.275 120.500 0.038 0.000 2.710 271 R HA 0.686 5.025 4.340 -0.001 0.000 0.270 271 R C -2.153 174.094 176.300 -0.088 0.000 1.021 271 R CA -1.155 54.930 56.100 -0.025 0.000 0.889 271 R CB 1.481 31.744 30.300 -0.061 0.000 1.243 271 R HN 0.584 nan 8.270 nan 0.000 0.464 272 L N 2.036 123.200 121.223 -0.098 0.000 2.462 272 L HA 0.371 4.710 4.340 -0.001 0.000 0.272 272 L C 0.041 176.744 176.870 -0.277 0.000 1.166 272 L CA 0.435 55.175 54.840 -0.166 0.000 0.880 272 L CB 0.863 42.856 42.059 -0.111 0.000 1.142 272 L HN 0.870 nan 8.230 nan 0.000 0.473 273 A N 3.717 126.228 122.820 -0.514 0.000 2.498 273 A HA 0.483 4.803 4.320 -0.001 0.000 0.239 273 A C 0.451 177.759 177.584 -0.460 0.000 1.068 273 A CA 0.380 51.968 52.037 -0.749 0.000 0.766 273 A CB -0.247 17.612 19.000 -1.902 0.000 1.003 273 A HN 0.868 nan 8.150 nan 0.000 0.497 274 T N -1.243 113.136 114.554 -0.292 0.000 2.905 274 T HA 0.398 4.748 4.350 -0.001 0.000 0.283 274 T C 0.718 175.420 174.700 0.004 0.000 1.031 274 T CA -0.105 61.941 62.100 -0.091 0.000 1.002 274 T CB 0.447 69.303 68.868 -0.020 0.000 1.200 274 T HN 0.575 nan 8.240 nan 0.000 0.560 275 Y N 0.598 120.911 120.300 0.022 0.000 2.315 275 Y HA -0.071 4.478 4.550 -0.002 0.000 0.288 275 Y C 1.572 177.536 175.900 0.107 0.000 1.154 275 Y CA 1.804 59.971 58.100 0.112 0.000 1.229 275 Y CB -0.379 38.171 38.460 0.151 0.000 0.980 275 Y HN 0.630 nan 8.280 nan 0.000 0.540 276 D N -0.346 120.089 120.400 0.059 0.000 2.349 276 D HA -0.039 4.600 4.640 -0.001 0.000 0.215 276 D C -0.337 175.933 176.300 -0.050 0.000 1.016 276 D CA 0.531 54.531 54.000 0.000 0.000 0.870 276 D CB -0.174 40.673 40.800 0.078 0.000 0.917 276 D HN 0.348 nan 8.370 nan 0.000 0.524 277 D N 1.594 121.954 120.400 -0.067 0.000 2.352 277 D HA -0.007 4.632 4.640 -0.001 0.000 0.245 277 D C 0.294 176.577 176.300 -0.029 0.000 1.224 277 D CA -0.182 53.806 54.000 -0.020 0.000 0.879 277 D CB 0.334 41.085 40.800 -0.083 0.000 1.057 277 D HN -0.082 nan 8.370 nan 0.000 0.491 278 N N 3.829 122.462 118.700 -0.111 0.000 2.452 278 N HA -0.003 4.736 4.740 -0.001 0.000 0.266 278 N C -1.549 173.726 175.510 -0.392 0.000 1.209 278 N CA -1.521 51.312 53.050 -0.363 0.000 0.929 278 N CB 1.090 39.462 38.487 -0.193 0.000 1.063 278 N HN 0.121 nan 8.380 nan 0.000 0.472 279 P HA -0.033 nan 4.420 nan 0.000 0.233 279 P C 0.244 177.347 177.300 -0.328 0.000 1.167 279 P CA 1.007 63.569 63.100 -0.897 0.000 0.770 279 P CB -0.115 30.676 31.700 -1.515 0.000 0.837 280 W N 0.512 121.681 121.300 -0.218 0.000 3.316 280 W HA 0.267 4.927 4.660 -0.000 0.000 0.327 280 W C 0.721 177.208 176.519 -0.054 0.000 1.232 280 W CA -0.754 56.513 57.345 -0.129 0.000 1.805 280 W CB 0.398 29.634 29.460 -0.373 0.000 1.090 280 W HN -0.017 nan 8.180 nan 0.000 0.654 281 E N 1.584 121.848 120.200 0.108 0.000 2.134 281 E HA 0.170 4.520 4.350 -0.001 0.000 0.278 281 E C -0.153 176.502 176.600 0.091 0.000 0.959 281 E CA -0.341 56.117 56.400 0.097 0.000 0.783 281 E CB 1.004 30.747 29.700 0.072 0.000 1.095 281 E HN -0.249 nan 8.360 nan 0.000 0.399 282 T N 4.699 119.297 114.554 0.073 0.000 2.888 282 T HA -0.005 4.344 4.350 -0.001 0.000 0.301 282 T C -0.113 174.649 174.700 0.103 0.000 1.001 282 T CA -0.084 62.050 62.100 0.058 0.000 1.147 282 T CB -0.056 68.820 68.868 0.012 0.000 0.931 282 T HN 0.333 nan 8.240 nan 0.000 0.541 283 F N 3.640 123.590 119.950 0.000 0.000 2.506 283 F HA 0.322 4.848 4.527 -0.001 0.000 0.371 283 F C 0.321 176.126 175.800 0.009 0.000 1.078 283 F CA -0.841 57.171 58.000 0.020 0.000 1.195 283 F CB 0.228 39.251 39.000 0.039 0.000 1.099 283 F HN 0.311 nan 8.300 nan 0.000 0.548 284 K N 5.472 125.462 120.400 -0.682 0.000 2.263 284 K HA 0.261 4.580 4.320 -0.001 0.000 0.272 284 K C -0.159 175.839 176.600 -1.004 0.000 1.033 284 K CA -0.621 55.313 56.287 -0.589 0.000 0.884 284 K CB 0.465 32.783 32.500 -0.303 0.000 1.107 284 K HN 0.580 nan 8.250 nan 0.000 0.460 285 N N 0.000 118.282 118.700 -0.697 0.000 1.763 285 N HA 0.000 4.739 4.740 -0.001 0.000 0.220 285 N CA 0.000 52.790 53.050 -0.433 0.000 0.885 285 N CB 0.000 38.439 38.487 -0.080 0.000 1.341 285 N HN 0.000 nan 8.380 nan 0.000 0.667