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 1o95_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKILVAVKQT AALEEDFEIR XDGMDVDEDF MMYDLNEWDD FSLEEAMKIK DATA SEQUENCE ESSDXDVEVV VVSVGPDRVD ESLRKCLAKG ADRAVRVWDD AAEGSDAIVV DATA SEQUENCE GRILTEVIKK EAPDMVFAGV QSSDQAYAST GISVASYLNW PHAAVVADLQ DATA SEQUENCE YKPGDNKAVI RRELEGGMLQ EVEINCPAVL TIQLGINKPR YASLRGIKQA DATA SEQUENCE ATKPIEEVSL ADIGLSANDV GAAQSMSRVR RMYIP 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.323 176.300 0.039 0.000 1.140 1 M CA 0.000 55.326 55.300 0.043 0.000 0.988 1 M CB 0.000 32.635 32.600 0.058 0.000 1.302 2 K N 3.910 124.331 120.400 0.035 0.000 2.571 2 K HA 0.692 5.013 4.320 0.001 0.000 0.252 2 K C -2.209 174.376 176.600 -0.025 0.000 0.956 2 K CA -0.468 55.827 56.287 0.013 0.000 0.822 2 K CB 1.545 34.056 32.500 0.019 0.000 1.286 2 K HN 0.829 nan 8.250 nan 0.000 0.439 3 I N 5.243 125.774 120.570 -0.065 0.000 2.354 3 I HA 0.351 4.522 4.170 0.001 0.000 0.292 3 I C -0.592 175.456 176.117 -0.114 0.000 0.989 3 I CA -0.986 60.205 61.300 -0.182 0.000 1.188 3 I CB 1.552 39.407 38.000 -0.240 0.000 1.342 3 I HN 0.478 nan 8.210 nan 0.000 0.457 4 L N 7.757 128.908 121.223 -0.120 0.000 2.296 4 L HA 0.618 4.958 4.340 0.001 0.000 0.286 4 L C -0.995 175.859 176.870 -0.027 0.000 1.023 4 L CA -0.545 54.266 54.840 -0.048 0.000 0.812 4 L CB 1.444 43.486 42.059 -0.028 0.000 1.223 4 L HN 0.311 nan 8.230 nan 0.000 0.421 5 V N 4.814 124.753 119.914 0.043 0.000 2.409 5 V HA 0.589 4.710 4.120 0.001 0.000 0.291 5 V C 0.247 176.397 176.094 0.092 0.000 1.020 5 V CA -0.594 61.780 62.300 0.124 0.000 0.848 5 V CB 1.416 33.331 31.823 0.153 0.000 0.990 5 V HN 0.862 nan 8.190 nan 0.000 0.430 6 A N 5.411 128.289 122.820 0.097 0.000 2.279 6 A HA 0.731 5.052 4.320 0.001 0.000 0.306 6 A C -0.145 177.483 177.584 0.074 0.000 1.300 6 A CA -0.395 51.680 52.037 0.064 0.000 0.925 6 A CB 0.607 19.637 19.000 0.050 0.000 1.152 6 A HN 1.240 nan 8.150 nan 0.000 0.544 7 V N 0.567 120.519 119.914 0.063 0.000 2.769 7 V HA 0.798 4.919 4.120 0.001 0.000 0.312 7 V C -0.338 175.789 176.094 0.055 0.000 1.058 7 V CA -0.921 61.419 62.300 0.068 0.000 0.952 7 V CB 1.600 33.461 31.823 0.063 0.000 1.019 7 V HN 0.876 nan 8.190 nan 0.000 0.445 8 K N 2.471 122.912 120.400 0.068 0.000 2.371 8 K HA 0.454 4.775 4.320 0.001 0.000 0.251 8 K C -0.940 175.704 176.600 0.073 0.000 0.934 8 K CA -0.653 55.672 56.287 0.063 0.000 0.798 8 K CB 2.361 34.903 32.500 0.070 0.000 1.204 8 K HN 0.969 nan 8.250 nan 0.000 0.427 9 Q N 2.878 122.717 119.800 0.065 0.000 2.296 9 Q HA 0.192 4.533 4.340 0.001 0.000 0.257 9 Q C -0.862 175.223 176.000 0.141 0.000 0.942 9 Q CA -0.401 55.460 55.803 0.097 0.000 0.939 9 Q CB 1.052 29.836 28.738 0.075 0.000 1.198 9 Q HN 0.749 nan 8.270 nan 0.000 0.429 10 T N 0.282 114.910 114.554 0.123 0.000 2.949 10 T HA 0.842 5.193 4.350 0.001 0.000 0.287 10 T C -0.298 174.408 174.700 0.011 0.000 1.034 10 T CA -0.817 61.331 62.100 0.081 0.000 1.018 10 T CB 1.649 70.550 68.868 0.055 0.000 1.135 10 T HN 0.603 nan 8.240 nan 0.000 0.532 11 A N 0.323 123.079 122.820 -0.106 0.000 2.303 11 A HA 0.864 5.185 4.320 0.001 0.000 0.317 11 A C -0.006 177.452 177.584 -0.211 0.000 1.149 11 A CA -0.727 51.107 52.037 -0.338 0.000 0.822 11 A CB 0.427 19.206 19.000 -0.368 0.000 1.131 11 A HN 1.531 nan 8.150 nan 0.000 0.493 12 A N 1.695 124.372 122.820 -0.239 0.000 2.422 12 A HA 0.667 4.988 4.320 0.001 0.000 0.302 12 A C -0.621 176.867 177.584 -0.160 0.000 1.041 12 A CA -0.480 51.461 52.037 -0.159 0.000 0.708 12 A CB 0.778 19.719 19.000 -0.099 0.000 1.257 12 A HN 0.794 nan 8.150 nan 0.000 0.414 13 L N 1.311 122.435 121.223 -0.165 0.000 2.421 13 L HA 0.389 4.729 4.340 0.001 0.000 0.263 13 L C 0.722 177.576 176.870 -0.026 0.000 1.122 13 L CA -0.494 54.265 54.840 -0.135 0.000 0.804 13 L CB 0.944 42.769 42.059 -0.390 0.000 1.150 13 L HN 0.813 nan 8.230 nan 0.000 0.457 14 E N 0.121 120.385 120.200 0.107 0.000 2.351 14 E HA 0.323 4.674 4.350 0.001 0.000 0.255 14 E C -0.090 176.602 176.600 0.154 0.000 1.188 14 E CA -0.306 56.180 56.400 0.143 0.000 0.940 14 E CB 0.576 30.402 29.700 0.210 0.000 1.094 14 E HN 0.646 nan 8.360 nan 0.000 0.474 15 E N 0.858 121.131 120.200 0.122 0.000 2.373 15 E HA 0.151 4.502 4.350 0.001 0.000 0.263 15 E C -1.112 175.538 176.600 0.084 0.000 1.073 15 E CA -0.337 56.124 56.400 0.100 0.000 0.894 15 E CB 0.277 30.013 29.700 0.060 0.000 1.008 15 E HN 0.437 nan 8.360 nan 0.000 0.420 16 D N 0.983 121.356 120.400 -0.045 0.000 2.427 16 D HA 0.367 5.008 4.640 0.001 0.000 0.226 16 D C 0.095 176.042 176.300 -0.588 0.000 1.076 16 D CA -0.338 53.540 54.000 -0.202 0.000 0.849 16 D CB 0.093 40.753 40.800 -0.233 0.000 1.052 16 D HN 0.580 nan 8.370 nan 0.000 0.515 17 F N 0.207 119.706 119.950 -0.751 0.000 2.587 17 F HA 0.292 4.827 4.527 0.014 0.000 0.327 17 F C 0.488 175.709 175.800 -0.964 0.000 1.232 17 F CA -0.554 56.586 58.000 -1.432 0.000 1.353 17 F CB 0.555 39.205 39.000 -0.584 0.000 1.156 17 F HN 0.148 nan 8.300 nan 0.000 0.599 18 E N 1.404 121.095 120.200 -0.847 0.000 2.272 18 E HA 0.427 4.778 4.350 0.001 0.000 0.269 18 E C -0.721 175.891 176.600 0.020 0.000 0.877 18 E CA -0.987 55.215 56.400 -0.330 0.000 0.755 18 E CB 1.538 31.197 29.700 -0.068 0.000 1.192 18 E HN 0.658 nan 8.360 nan 0.000 0.422 19 I N 3.649 124.239 120.570 0.033 0.000 2.932 19 I HA -0.081 4.090 4.170 0.001 0.000 0.295 19 I C 1.179 177.367 176.117 0.118 0.000 1.227 19 I CA 0.540 61.908 61.300 0.113 0.000 1.429 19 I CB 0.067 38.122 38.000 0.091 0.000 1.339 19 I HN 0.522 nan 8.210 nan 0.000 0.589 23 G N -1.407 107.434 108.800 0.067 0.000 2.221 23 G HA2 0.209 4.170 3.960 0.001 0.000 0.265 23 G HA3 0.209 4.170 3.960 0.001 0.000 0.265 23 G C 1.050 175.999 174.900 0.083 0.000 1.041 23 G CA 1.982 47.129 45.100 0.077 0.000 0.807 23 G HN 1.991 nan 8.290 nan 0.000 0.502 24 M N -1.767 117.880 119.600 0.078 0.000 2.249 24 M HA 0.609 5.090 4.480 0.001 0.000 0.318 24 M C 0.494 176.837 176.300 0.072 0.000 0.930 24 M CA 1.472 56.815 55.300 0.071 0.000 1.080 24 M CB 0.367 33.005 32.600 0.063 0.000 1.797 24 M HN 0.438 nan 8.290 nan 0.000 0.619 25 D N -2.283 118.166 120.400 0.081 0.000 2.792 25 D HA 0.543 5.184 4.640 0.001 0.000 0.335 25 D C -1.666 174.699 176.300 0.107 0.000 1.353 25 D CA -0.062 53.988 54.000 0.083 0.000 0.839 25 D CB 1.409 42.261 40.800 0.086 0.000 1.396 25 D HN 0.026 nan 8.370 nan 0.000 0.479 26 V N 1.046 121.031 119.914 0.119 0.000 2.743 26 V HA 0.213 4.334 4.120 0.001 0.000 0.301 26 V C 0.251 176.471 176.094 0.209 0.000 1.057 26 V CA -0.345 62.065 62.300 0.185 0.000 1.006 26 V CB 1.478 33.400 31.823 0.166 0.000 1.024 26 V HN 0.572 nan 8.190 nan 0.000 0.473 27 D N 2.310 122.891 120.400 0.301 0.000 2.449 27 D HA 0.232 4.873 4.640 0.001 0.000 0.236 27 D C 1.068 177.516 176.300 0.245 0.000 1.149 27 D CA 1.038 55.212 54.000 0.291 0.000 0.878 27 D CB 1.192 42.226 40.800 0.390 0.000 1.198 27 D HN 0.769 nan 8.370 nan 0.000 0.446 28 E N 2.230 122.507 120.200 0.129 0.000 2.435 28 E HA -0.077 4.274 4.350 0.001 0.000 0.195 28 E C 1.051 177.677 176.600 0.043 0.000 1.029 28 E CA 0.889 57.353 56.400 0.106 0.000 0.865 28 E CB -0.265 29.495 29.700 0.100 0.000 0.833 28 E HN 0.553 nan 8.360 nan 0.000 0.510 29 D N -0.601 119.747 120.400 -0.088 0.000 2.289 29 D HA 0.028 4.669 4.640 0.001 0.000 0.207 29 D C 0.943 177.084 176.300 -0.265 0.000 0.966 29 D CA 0.177 54.039 54.000 -0.230 0.000 0.868 29 D CB -0.258 40.336 40.800 -0.343 0.000 0.943 29 D HN 0.566 nan 8.370 nan 0.000 0.514 30 F N 0.362 120.346 119.950 0.057 0.000 2.795 30 F HA 0.170 4.696 4.527 -0.003 0.000 0.303 30 F C 1.033 176.827 175.800 -0.010 0.000 1.186 30 F CA 0.111 58.142 58.000 0.051 0.000 1.415 30 F CB -0.320 38.750 39.000 0.117 0.000 1.106 30 F HN -0.275 nan 8.300 nan 0.000 0.558 31 M N 0.291 119.938 119.600 0.079 0.000 2.472 31 M HA 0.514 4.995 4.480 0.001 0.000 0.331 31 M C -0.785 175.425 176.300 -0.149 0.000 1.170 31 M CA -0.449 54.803 55.300 -0.080 0.000 1.009 31 M CB 2.210 34.731 32.600 -0.132 0.000 1.672 31 M HN -0.041 nan 8.290 nan 0.000 0.453 32 M N 2.070 121.477 119.600 -0.321 0.000 2.271 32 M HA 0.439 4.920 4.480 0.001 0.000 0.285 32 M C -1.942 174.136 176.300 -0.370 0.000 1.059 32 M CA -0.214 54.960 55.300 -0.212 0.000 0.940 32 M CB 1.953 34.508 32.600 -0.075 0.000 1.636 32 M HN 0.479 nan 8.290 nan 0.000 0.460 33 Y N 2.132 122.432 120.300 -0.000 0.000 2.320 33 Y HA 0.639 5.195 4.550 0.010 0.000 0.334 33 Y C -0.026 175.875 175.900 0.001 0.000 1.055 33 Y CA -0.134 57.964 58.100 -0.004 0.000 1.143 33 Y CB 1.078 39.527 38.460 -0.019 0.000 1.193 33 Y HN 0.540 nan 8.280 nan 0.000 0.477 34 D N 0.904 121.372 120.400 0.114 0.000 2.615 34 D HA 0.186 4.826 4.640 0.001 0.000 0.267 34 D C -1.668 174.682 176.300 0.084 0.000 1.236 34 D CA -0.793 53.257 54.000 0.083 0.000 0.839 34 D CB 2.154 42.984 40.800 0.049 0.000 1.380 34 D HN 0.400 nan 8.370 nan 0.000 0.433 35 L N 2.482 123.747 121.223 0.070 0.000 2.500 35 L HA 0.240 4.581 4.340 0.001 0.000 0.272 35 L C 0.224 177.151 176.870 0.096 0.000 1.149 35 L CA -0.216 54.668 54.840 0.074 0.000 0.897 35 L CB -0.199 41.893 42.059 0.055 0.000 1.178 35 L HN 0.374 nan 8.230 nan 0.000 0.473 36 N N 3.371 122.146 118.700 0.125 0.000 2.167 36 N HA -0.201 4.540 4.740 0.001 0.000 0.258 36 N C 0.918 176.561 175.510 0.221 0.000 1.241 36 N CA 1.308 54.472 53.050 0.191 0.000 0.829 36 N CB 0.476 39.093 38.487 0.217 0.000 1.072 36 N HN 0.853 nan 8.380 nan 0.000 0.466 37 E N 3.105 123.463 120.200 0.262 0.000 2.051 37 E HA -0.175 4.175 4.350 0.001 0.000 0.192 37 E C 1.040 177.745 176.600 0.175 0.000 0.991 37 E CA 0.998 57.478 56.400 0.133 0.000 0.799 37 E CB -0.150 29.521 29.700 -0.048 0.000 0.748 37 E HN 0.759 nan 8.360 nan 0.000 0.449 38 W N 1.420 122.804 121.300 0.140 0.000 2.359 38 W HA -0.183 4.490 4.660 0.022 0.000 0.275 38 W C 1.430 178.053 176.519 0.173 0.000 1.217 38 W CA 0.695 58.147 57.345 0.178 0.000 1.196 38 W CB -0.138 29.372 29.460 0.084 0.000 1.129 38 W HN 0.264 nan 8.180 nan 0.000 0.566 39 D N -0.063 120.540 120.400 0.338 0.000 2.213 39 D HA -0.098 4.543 4.640 0.001 0.000 0.205 39 D C 1.091 177.463 176.300 0.119 0.000 0.961 39 D CA 1.133 55.260 54.000 0.212 0.000 0.853 39 D CB -0.426 40.471 40.800 0.161 0.000 0.967 39 D HN 0.194 nan 8.370 nan 0.000 0.496 40 D N -0.224 120.205 120.400 0.049 0.000 2.311 40 D HA -0.135 4.506 4.640 0.001 0.000 0.212 40 D C 1.371 177.551 176.300 -0.202 0.000 0.972 40 D CA 0.717 54.641 54.000 -0.127 0.000 0.887 40 D CB -0.140 40.479 40.800 -0.303 0.000 0.915 40 D HN 0.241 nan 8.370 nan 0.000 0.497 41 F N -0.180 119.747 119.950 -0.037 0.000 2.374 41 F HA 0.082 4.588 4.527 -0.036 0.000 0.291 41 F C 2.497 178.256 175.800 -0.067 0.000 1.084 41 F CA 0.165 58.125 58.000 -0.066 0.000 1.413 41 F CB -0.124 38.827 39.000 -0.081 0.000 1.099 41 F HN -0.195 nan 8.300 nan 0.000 0.534 42 S N 0.882 116.667 115.700 0.141 0.000 2.398 42 S HA -0.253 4.218 4.470 0.001 0.000 0.220 42 S C 2.042 176.667 174.600 0.042 0.000 1.038 42 S CA 1.748 59.968 58.200 0.032 0.000 1.080 42 S CB -0.845 62.422 63.200 0.111 0.000 1.039 42 S HN 0.298 nan 8.310 nan 0.000 0.419 43 L N 2.051 123.312 121.223 0.063 0.000 1.997 43 L HA -0.218 4.123 4.340 0.001 0.000 0.216 43 L C 2.231 179.126 176.870 0.041 0.000 1.074 43 L CA 2.492 57.371 54.840 0.066 0.000 0.763 43 L CB -0.941 41.136 42.059 0.031 0.000 0.890 43 L HN 0.304 nan 8.230 nan 0.000 0.434 44 E N -0.109 120.080 120.200 -0.019 0.000 2.068 44 E HA -0.339 4.012 4.350 0.001 0.000 0.207 44 E C 2.140 178.749 176.600 0.015 0.000 1.032 44 E CA 1.880 58.263 56.400 -0.029 0.000 0.839 44 E CB -0.401 29.245 29.700 -0.090 0.000 0.758 44 E HN 0.599 nan 8.360 nan 0.000 0.457 45 E N -0.394 119.803 120.200 -0.004 0.000 2.130 45 E HA -0.211 4.140 4.350 0.001 0.000 0.196 45 E C 1.746 178.408 176.600 0.104 0.000 0.998 45 E CA 1.653 58.042 56.400 -0.018 0.000 0.806 45 E CB -0.541 29.026 29.700 -0.220 0.000 0.738 45 E HN 0.369 nan 8.360 nan 0.000 0.459 46 A N -0.006 122.931 122.820 0.195 0.000 1.872 46 A HA -0.119 4.202 4.320 0.001 0.000 0.214 46 A C 2.091 179.769 177.584 0.157 0.000 1.187 46 A CA 1.700 53.915 52.037 0.296 0.000 0.614 46 A CB -0.366 18.841 19.000 0.344 0.000 0.826 46 A HN 0.260 nan 8.150 nan 0.000 0.442 47 M N 0.055 119.716 119.600 0.101 0.000 2.279 47 M HA -0.110 4.371 4.480 0.001 0.000 0.264 47 M C 1.793 178.132 176.300 0.065 0.000 1.062 47 M CA 1.262 56.601 55.300 0.065 0.000 1.099 47 M CB -1.171 31.448 32.600 0.032 0.000 1.394 47 M HN 0.383 nan 8.290 nan 0.000 0.426 48 K N 0.855 121.297 120.400 0.070 0.000 1.991 48 K HA -0.102 4.219 4.320 0.001 0.000 0.212 48 K C 2.043 178.696 176.600 0.087 0.000 1.049 48 K CA 1.397 57.723 56.287 0.065 0.000 0.932 48 K CB -0.366 32.169 32.500 0.058 0.000 0.717 48 K HN 0.278 nan 8.250 nan 0.000 0.441 49 I N 1.441 122.089 120.570 0.130 0.000 2.118 49 I HA -0.366 3.805 4.170 0.001 0.000 0.241 49 I C 2.623 178.812 176.117 0.121 0.000 1.070 49 I CA 1.484 62.880 61.300 0.160 0.000 1.327 49 I CB -0.358 37.788 38.000 0.243 0.000 1.034 49 I HN 0.231 nan 8.210 nan 0.000 0.405 50 K N 1.093 121.556 120.400 0.105 0.000 2.160 50 K HA -0.238 4.083 4.320 0.001 0.000 0.206 50 K C 1.676 178.311 176.600 0.058 0.000 1.047 50 K CA 1.876 58.209 56.287 0.077 0.000 0.930 50 K CB -0.026 32.513 32.500 0.064 0.000 0.720 50 K HN 0.405 nan 8.250 nan 0.000 0.450 51 E N -0.979 119.254 120.200 0.054 0.000 2.474 51 E HA 0.021 4.372 4.350 0.001 0.000 0.194 51 E C 1.709 178.332 176.600 0.039 0.000 1.041 51 E CA 0.498 56.922 56.400 0.040 0.000 0.874 51 E CB 0.433 30.151 29.700 0.032 0.000 0.914 51 E HN 0.457 nan 8.360 nan 0.000 0.498 52 S N 0.390 116.121 115.700 0.051 0.000 2.527 52 S HA 0.195 4.666 4.470 0.001 0.000 0.222 52 S C 1.207 175.827 174.600 0.034 0.000 0.985 52 S CA 0.777 59.004 58.200 0.044 0.000 0.921 52 S CB 0.042 63.277 63.200 0.057 0.000 0.772 52 S HN 0.207 nan 8.310 nan 0.000 0.529 53 S N -0.384 115.337 115.700 0.036 0.000 2.801 53 S HA 0.742 5.212 4.470 0.001 0.000 0.312 53 S C -0.036 174.576 174.600 0.019 0.000 1.112 53 S CA -0.038 58.177 58.200 0.025 0.000 0.943 53 S CB 0.184 63.401 63.200 0.028 0.000 1.269 53 S HN 0.573 nan 8.310 nan 0.000 0.558 57 V N 2.648 122.585 119.914 0.039 0.000 2.482 57 V HA 0.426 4.547 4.120 0.001 0.000 0.295 57 V C 0.132 176.248 176.094 0.036 0.000 1.026 57 V CA -0.932 61.396 62.300 0.046 0.000 0.856 57 V CB 1.800 33.664 31.823 0.068 0.000 1.001 57 V HN 0.456 nan 8.190 nan 0.000 0.424 58 E N 3.396 123.613 120.200 0.029 0.000 2.290 58 E HA 0.456 4.807 4.350 0.001 0.000 0.277 58 E C -1.020 175.593 176.600 0.021 0.000 1.035 58 E CA -0.283 56.131 56.400 0.023 0.000 0.873 58 E CB 1.438 31.150 29.700 0.019 0.000 1.029 58 E HN 0.536 nan 8.360 nan 0.000 0.419 59 V N 5.432 125.361 119.914 0.026 0.000 2.427 59 V HA 0.402 4.523 4.120 0.001 0.000 0.286 59 V C -0.424 175.685 176.094 0.024 0.000 1.034 59 V CA -0.568 61.748 62.300 0.028 0.000 0.893 59 V CB 1.574 33.424 31.823 0.045 0.000 0.982 59 V HN 0.522 nan 8.190 nan 0.000 0.452 60 V N 6.674 126.600 119.914 0.020 0.000 2.733 60 V HA 0.663 4.784 4.120 0.001 0.000 0.306 60 V C -0.702 175.406 176.094 0.025 0.000 1.084 60 V CA -0.461 61.850 62.300 0.019 0.000 0.905 60 V CB 2.415 34.245 31.823 0.012 0.000 1.010 60 V HN 0.787 nan 8.190 nan 0.000 0.424 61 V N 5.024 124.954 119.914 0.028 0.000 2.532 61 V HA 0.920 5.041 4.120 0.001 0.000 0.295 61 V C -0.424 175.685 176.094 0.024 0.000 1.041 61 V CA -0.444 61.877 62.300 0.034 0.000 0.926 61 V CB 1.389 33.233 31.823 0.035 0.000 0.992 61 V HN 0.706 nan 8.190 nan 0.000 0.457 62 V N 2.728 122.657 119.914 0.025 0.000 2.789 62 V HA 0.755 4.876 4.120 0.001 0.000 0.311 62 V C -0.154 175.953 176.094 0.022 0.000 1.073 62 V CA -0.206 62.105 62.300 0.019 0.000 0.921 62 V CB 1.986 33.815 31.823 0.011 0.000 1.009 62 V HN 1.127 nan 8.190 nan 0.000 0.426 63 S N 2.172 117.884 115.700 0.020 0.000 2.541 63 S HA 0.796 5.267 4.470 0.001 0.000 0.280 63 S C -1.275 173.344 174.600 0.032 0.000 1.112 63 S CA -0.407 57.804 58.200 0.019 0.000 0.925 63 S CB 1.938 65.140 63.200 0.004 0.000 1.067 63 S HN 0.491 nan 8.310 nan 0.000 0.479 64 V N 3.577 123.518 119.914 0.045 0.000 2.435 64 V HA 0.937 5.057 4.120 0.001 0.000 0.290 64 V C 0.734 176.861 176.094 0.055 0.000 1.030 64 V CA 0.740 63.107 62.300 0.112 0.000 0.881 64 V CB 0.786 32.694 31.823 0.142 0.000 0.983 64 V HN 1.283 nan 8.190 nan 0.000 0.445 65 G N 6.128 114.939 108.800 0.019 0.000 2.359 65 G HA2 0.168 4.129 3.960 0.001 0.000 0.314 65 G HA3 0.168 4.129 3.960 0.001 0.000 0.314 65 G C -3.415 170.690 174.900 -1.326 0.000 1.364 65 G CA -0.738 43.887 45.100 -0.792 0.000 0.978 65 G HN 0.532 nan 8.290 nan 0.000 0.615 66 P HA 0.183 nan 4.420 nan 0.000 0.274 66 P C 0.075 177.038 177.300 -0.563 0.000 1.264 66 P CA 0.011 62.392 63.100 -1.199 0.000 0.795 66 P CB 0.680 31.892 31.700 -0.814 0.000 1.064 67 D N -0.359 119.822 120.400 -0.364 0.000 2.265 67 D HA -0.147 4.494 4.640 0.001 0.000 0.208 67 D C 2.058 178.242 176.300 -0.193 0.000 0.977 67 D CA 1.134 55.010 54.000 -0.205 0.000 0.871 67 D CB -0.103 40.620 40.800 -0.128 0.000 0.925 67 D HN 0.449 nan 8.370 nan 0.000 0.485 68 R N 0.422 120.766 120.500 -0.260 0.000 2.070 68 R HA -0.085 4.256 4.340 0.001 0.000 0.232 68 R C 2.290 178.480 176.300 -0.183 0.000 1.138 68 R CA 1.100 57.053 56.100 -0.245 0.000 0.936 68 R CB -1.149 28.912 30.300 -0.399 0.000 0.839 68 R HN -0.017 nan 8.270 nan 0.000 0.429 69 V N 2.705 122.493 119.914 -0.210 0.000 2.280 69 V HA -0.364 3.757 4.120 0.001 0.000 0.258 69 V C 1.756 177.801 176.094 -0.081 0.000 1.081 69 V CA 2.354 64.573 62.300 -0.134 0.000 1.070 69 V CB -0.862 30.862 31.823 -0.166 0.000 0.666 69 V HN 0.333 nan 8.190 nan 0.000 0.450 70 D N -0.023 120.324 120.400 -0.088 0.000 2.558 70 D HA -0.331 4.310 4.640 0.001 0.000 0.190 70 D C 2.346 178.625 176.300 -0.035 0.000 1.047 70 D CA 2.517 56.484 54.000 -0.055 0.000 0.880 70 D CB -0.454 40.312 40.800 -0.058 0.000 0.926 70 D HN 0.716 nan 8.370 nan 0.000 0.465 71 E N 0.080 120.256 120.200 -0.039 0.000 2.097 71 E HA -0.222 4.129 4.350 0.001 0.000 0.196 71 E C 2.222 178.821 176.600 -0.002 0.000 1.000 71 E CA 1.965 58.355 56.400 -0.016 0.000 0.804 71 E CB -0.915 28.779 29.700 -0.009 0.000 0.740 71 E HN 0.351 nan 8.360 nan 0.000 0.454 72 S N -0.030 115.669 115.700 -0.002 0.000 2.395 72 S HA 0.068 4.539 4.470 0.001 0.000 0.225 72 S C 2.163 176.768 174.600 0.010 0.000 1.027 72 S CA 1.003 59.211 58.200 0.013 0.000 0.965 72 S CB -0.169 63.045 63.200 0.024 0.000 0.812 72 S HN 0.488 nan 8.310 nan 0.000 0.482 73 L N 1.190 122.413 121.223 0.000 0.000 2.141 73 L HA -0.038 4.303 4.340 0.001 0.000 0.209 73 L C 2.620 179.493 176.870 0.005 0.000 1.094 73 L CA 0.995 55.837 54.840 0.004 0.000 0.763 73 L CB -0.478 41.580 42.059 -0.003 0.000 0.908 73 L HN 0.174 nan 8.230 nan 0.000 0.437 74 R N 0.433 120.933 120.500 0.001 0.000 2.105 74 R HA -0.165 4.176 4.340 0.001 0.000 0.239 74 R C 2.236 178.541 176.300 0.008 0.000 1.135 74 R CA 1.241 57.343 56.100 0.003 0.000 0.967 74 R CB -0.279 30.022 30.300 0.001 0.000 0.861 74 R HN 0.388 nan 8.270 nan 0.000 0.442 75 K N -0.060 120.346 120.400 0.010 0.000 2.155 75 K HA -0.069 4.252 4.320 0.001 0.000 0.203 75 K C 2.180 178.785 176.600 0.009 0.000 1.052 75 K CA 1.048 57.342 56.287 0.013 0.000 0.948 75 K CB 0.012 32.523 32.500 0.019 0.000 0.728 75 K HN 0.203 nan 8.250 nan 0.000 0.448 76 C N 0.886 120.192 119.300 0.010 0.000 2.453 76 C HA -0.055 4.406 4.460 0.001 0.000 0.277 76 C C 2.442 177.437 174.990 0.008 0.000 1.262 76 C CA 0.361 59.385 59.018 0.009 0.000 1.718 76 C CB -0.841 26.910 27.740 0.018 0.000 2.031 76 C HN 0.442 nan 8.230 nan 0.000 0.480 77 L N 1.311 122.540 121.223 0.010 0.000 2.021 77 L HA -0.275 4.066 4.340 0.001 0.000 0.215 77 L C 2.872 179.747 176.870 0.008 0.000 1.074 77 L CA 1.999 56.845 54.840 0.009 0.000 0.760 77 L CB -0.771 41.293 42.059 0.008 0.000 0.889 77 L HN 0.401 nan 8.230 nan 0.000 0.433 78 A N -0.414 122.410 122.820 0.007 0.000 1.929 78 A HA -0.161 4.160 4.320 0.001 0.000 0.216 78 A C 2.225 179.811 177.584 0.003 0.000 1.176 78 A CA 1.279 53.321 52.037 0.008 0.000 0.628 78 A CB -0.257 18.751 19.000 0.013 0.000 0.816 78 A HN 0.314 nan 8.150 nan 0.000 0.444 79 K N -1.518 118.879 120.400 -0.005 0.000 2.439 79 K HA 0.110 4.431 4.320 0.001 0.000 0.197 79 K C 1.177 177.765 176.600 -0.019 0.000 1.041 79 K CA 0.655 56.928 56.287 -0.024 0.000 0.970 79 K CB 0.043 32.514 32.500 -0.048 0.000 0.773 79 K HN 0.589 nan 8.250 nan 0.000 0.479 80 G N -0.026 108.772 108.800 -0.003 0.000 3.465 80 G HA2 -0.064 3.897 3.960 0.001 0.000 0.219 80 G HA3 -0.064 3.897 3.960 0.001 0.000 0.219 80 G C 0.085 174.994 174.900 0.015 0.000 0.984 80 G CA -0.201 44.902 45.100 0.005 0.000 0.864 80 G HN 0.330 nan 8.290 nan 0.000 0.485 81 A N 0.777 123.607 122.820 0.018 0.000 2.577 81 A HA 0.403 4.724 4.320 0.001 0.000 0.233 81 A C 1.130 178.725 177.584 0.019 0.000 1.076 81 A CA 1.374 53.425 52.037 0.023 0.000 0.767 81 A CB 0.219 19.233 19.000 0.023 0.000 1.017 81 A HN 0.184 nan 8.150 nan 0.000 0.511 82 D N 0.220 120.632 120.400 0.021 0.000 2.262 82 D HA 0.127 4.768 4.640 0.001 0.000 0.212 82 D C 0.666 176.975 176.300 0.014 0.000 0.964 82 D CA 1.068 55.079 54.000 0.017 0.000 0.875 82 D CB 0.191 41.002 40.800 0.019 0.000 0.996 82 D HN 0.632 nan 8.370 nan 0.000 0.497 83 R N -0.738 119.771 120.500 0.015 0.000 2.795 83 R HA 0.790 5.130 4.340 0.001 0.000 0.268 83 R C -1.347 174.961 176.300 0.013 0.000 1.041 83 R CA -0.909 55.198 56.100 0.012 0.000 0.927 83 R CB 2.066 32.372 30.300 0.011 0.000 1.235 83 R HN -0.067 nan 8.270 nan 0.000 0.463 84 A N 0.734 123.560 122.820 0.011 0.000 2.459 84 A HA 0.667 4.988 4.320 0.001 0.000 0.296 84 A C -1.449 176.141 177.584 0.010 0.000 1.039 84 A CA -0.639 51.405 52.037 0.011 0.000 0.698 84 A CB 1.754 20.759 19.000 0.009 0.000 1.261 84 A HN 0.279 nan 8.150 nan 0.000 0.405 85 V N 1.960 121.880 119.914 0.011 0.000 2.656 85 V HA 0.655 4.776 4.120 0.001 0.000 0.307 85 V C 0.025 176.128 176.094 0.015 0.000 1.051 85 V CA -0.671 61.636 62.300 0.012 0.000 0.893 85 V CB 1.963 33.793 31.823 0.012 0.000 0.999 85 V HN 0.918 nan 8.190 nan 0.000 0.426 86 R N 2.704 123.216 120.500 0.020 0.000 2.439 86 R HA 0.730 5.071 4.340 0.001 0.000 0.310 86 R C -1.741 174.600 176.300 0.069 0.000 0.955 86 R CA -0.380 55.738 56.100 0.029 0.000 0.853 86 R CB 1.892 32.194 30.300 0.003 0.000 1.171 86 R HN 0.568 nan 8.270 nan 0.000 0.449 87 V N 5.702 125.676 119.914 0.101 0.000 2.370 87 V HA 0.506 4.627 4.120 0.001 0.000 0.283 87 V C -0.347 175.930 176.094 0.304 0.000 1.023 87 V CA -0.480 61.902 62.300 0.136 0.000 0.857 87 V CB 1.245 33.120 31.823 0.088 0.000 0.985 87 V HN 0.712 nan 8.190 nan 0.000 0.443 88 W N 3.475 124.757 121.300 -0.030 0.000 2.988 88 W HA 0.557 5.221 4.660 0.006 0.000 0.355 88 W C -1.815 174.687 176.519 -0.029 0.000 1.233 88 W CA -0.516 56.811 57.345 -0.030 0.000 1.176 88 W CB 2.328 31.771 29.460 -0.028 0.000 1.477 88 W HN 0.503 nan 8.180 nan 0.000 0.582 89 D N 1.078 120.781 120.400 -1.161 0.000 2.954 89 D HA -0.058 4.583 4.640 0.001 0.000 0.260 89 D C -0.332 175.173 176.300 -1.325 0.000 1.072 89 D CA -0.334 53.172 54.000 -0.823 0.000 0.735 89 D CB 1.416 41.939 40.800 -0.462 0.000 1.934 89 D HN 0.277 nan 8.370 nan 0.000 0.458 90 D N 0.806 120.840 120.400 -0.610 0.000 2.277 90 D HA 0.013 4.654 4.640 0.001 0.000 0.208 90 D C 1.729 177.836 176.300 -0.322 0.000 0.962 90 D CA 0.763 54.571 54.000 -0.321 0.000 0.865 90 D CB 0.207 40.974 40.800 -0.055 0.000 0.939 90 D HN 0.431 nan 8.370 nan 0.000 0.510 91 A N 0.865 123.474 122.820 -0.351 0.000 2.172 91 A HA 0.067 4.388 4.320 0.001 0.000 0.216 91 A C 2.145 179.554 177.584 -0.291 0.000 1.154 91 A CA 1.244 53.132 52.037 -0.248 0.000 0.701 91 A CB -0.256 18.628 19.000 -0.194 0.000 0.789 91 A HN 0.180 nan 8.150 nan 0.000 0.465 92 A N -0.468 122.030 122.820 -0.538 0.000 2.209 92 A HA 0.365 4.685 4.320 0.001 0.000 0.212 92 A C 1.148 178.615 177.584 -0.195 0.000 1.158 92 A CA 1.032 52.771 52.037 -0.498 0.000 0.742 92 A CB -1.113 17.275 19.000 -1.020 0.000 0.790 92 A HN 0.814 nan 8.150 nan 0.000 0.472 93 E N -0.066 120.071 120.200 -0.105 0.000 2.729 93 E HA 0.333 4.684 4.350 0.001 0.000 0.246 93 E C 1.268 177.919 176.600 0.085 0.000 0.984 93 E CA 0.566 57.038 56.400 0.120 0.000 0.951 93 E CB -1.365 28.391 29.700 0.093 0.000 0.914 93 E HN 1.986 nan 8.360 nan 0.000 0.509 94 G N 2.434 111.314 108.800 0.133 0.000 2.143 94 G HA2 -0.214 3.746 3.960 0.001 0.000 0.248 94 G HA3 -0.214 3.746 3.960 0.001 0.000 0.248 94 G C 0.613 175.541 174.900 0.047 0.000 0.991 94 G CA 0.389 45.541 45.100 0.086 0.000 0.689 94 G HN 1.221 nan 8.290 nan 0.000 0.522 95 S N 1.367 117.095 115.700 0.047 0.000 2.537 95 S HA 0.415 4.886 4.470 0.001 0.000 0.286 95 S C 0.595 175.180 174.600 -0.024 0.000 1.299 95 S CA 0.366 58.567 58.200 0.002 0.000 1.067 95 S CB 0.969 64.171 63.200 0.003 0.000 0.864 95 S HN 0.733 nan 8.310 nan 0.000 0.494 96 D N 1.405 121.764 120.400 -0.068 0.000 2.387 96 D HA 0.395 5.036 4.640 0.001 0.000 0.251 96 D C 1.070 177.229 176.300 -0.235 0.000 1.141 96 D CA -0.493 53.402 54.000 -0.174 0.000 0.987 96 D CB 0.547 41.259 40.800 -0.147 0.000 1.116 96 D HN 0.347 nan 8.370 nan 0.000 0.491 97 A N 0.508 123.051 122.820 -0.462 0.000 2.148 97 A HA -0.164 4.157 4.320 0.001 0.000 0.222 97 A C 2.117 179.599 177.584 -0.171 0.000 1.161 97 A CA 1.352 53.162 52.037 -0.379 0.000 0.662 97 A CB -0.908 17.743 19.000 -0.581 0.000 0.799 97 A HN 0.616 nan 8.150 nan 0.000 0.466 98 I N -1.629 118.871 120.570 -0.117 0.000 2.867 98 I HA -0.068 4.103 4.170 0.001 0.000 0.265 98 I C 2.074 178.229 176.117 0.064 0.000 1.162 98 I CA 0.348 61.653 61.300 0.008 0.000 1.471 98 I CB 0.156 38.166 38.000 0.016 0.000 1.123 98 I HN 0.099 nan 8.210 nan 0.000 0.440 99 V N 0.279 120.185 119.914 -0.015 0.000 2.515 99 V HA -0.204 3.916 4.120 0.001 0.000 0.250 99 V C 2.396 178.454 176.094 -0.061 0.000 1.058 99 V CA 1.365 63.641 62.300 -0.041 0.000 1.064 99 V CB -0.402 31.390 31.823 -0.051 0.000 0.675 99 V HN 0.238 nan 8.190 nan 0.000 0.461 100 V N 1.107 120.991 119.914 -0.049 0.000 2.490 100 V HA -0.172 3.948 4.120 0.001 0.000 0.250 100 V C 2.588 178.659 176.094 -0.038 0.000 1.061 100 V CA 2.062 64.340 62.300 -0.037 0.000 1.064 100 V CB -1.341 30.463 31.823 -0.032 0.000 0.670 100 V HN 0.608 nan 8.190 nan 0.000 0.461 101 G N -0.217 108.583 108.800 0.000 0.000 2.404 101 G HA2 -0.280 3.681 3.960 0.001 0.000 0.215 101 G HA3 -0.280 3.681 3.960 0.001 0.000 0.215 101 G C 1.706 176.574 174.900 -0.053 0.000 1.174 101 G CA 0.901 46.031 45.100 0.049 0.000 0.780 101 G HN 0.453 nan 8.290 nan 0.000 0.537 102 R N 0.077 120.450 120.500 -0.213 0.000 2.066 102 R HA 0.042 4.383 4.340 0.001 0.000 0.232 102 R C 2.571 178.683 176.300 -0.313 0.000 1.131 102 R CA 1.234 56.983 56.100 -0.585 0.000 0.955 102 R CB -0.382 29.388 30.300 -0.882 0.000 0.851 102 R HN 0.393 nan 8.270 nan 0.000 0.432 103 I N 1.024 121.477 120.570 -0.195 0.000 2.208 103 I HA -0.331 3.840 4.170 0.001 0.000 0.245 103 I C 2.219 178.273 176.117 -0.105 0.000 1.097 103 I CA 1.293 62.515 61.300 -0.130 0.000 1.363 103 I CB -0.218 37.736 38.000 -0.077 0.000 1.051 103 I HN 0.236 nan 8.210 nan 0.000 0.413 104 L N -0.230 120.941 121.223 -0.087 0.000 2.046 104 L HA -0.232 4.109 4.340 0.001 0.000 0.208 104 L C 2.619 179.425 176.870 -0.107 0.000 1.077 104 L CA 1.617 56.413 54.840 -0.073 0.000 0.747 104 L CB -0.888 41.137 42.059 -0.056 0.000 0.896 104 L HN 0.221 nan 8.230 nan 0.000 0.432 105 T N -0.799 113.671 114.554 -0.139 0.000 2.684 105 T HA -0.188 4.163 4.350 0.001 0.000 0.267 105 T C 1.756 176.362 174.700 -0.157 0.000 1.036 105 T CA 1.439 63.437 62.100 -0.171 0.000 1.148 105 T CB -0.146 68.620 68.868 -0.169 0.000 0.863 105 T HN 0.335 nan 8.240 nan 0.000 0.436 106 E N 0.541 120.654 120.200 -0.145 0.000 2.204 106 E HA -0.028 4.322 4.350 0.001 0.000 0.194 106 E C 2.349 178.898 176.600 -0.084 0.000 0.989 106 E CA 0.479 56.811 56.400 -0.113 0.000 0.824 106 E CB -0.351 29.281 29.700 -0.114 0.000 0.756 106 E HN 0.322 nan 8.360 nan 0.000 0.477 107 V N 1.222 121.089 119.914 -0.079 0.000 2.488 107 V HA -0.167 3.953 4.120 0.001 0.000 0.246 107 V C 2.270 178.326 176.094 -0.063 0.000 1.046 107 V CA 0.928 63.195 62.300 -0.055 0.000 1.053 107 V CB -0.273 31.527 31.823 -0.038 0.000 0.679 107 V HN 0.160 nan 8.190 nan 0.000 0.458 108 I N -0.269 120.244 120.570 -0.095 0.000 2.286 108 I HA -0.271 3.900 4.170 0.001 0.000 0.248 108 I C 2.430 178.490 176.117 -0.096 0.000 1.115 108 I CA 1.575 62.805 61.300 -0.116 0.000 1.392 108 I CB -0.290 37.590 38.000 -0.201 0.000 1.065 108 I HN 0.257 nan 8.210 nan 0.000 0.418 109 K N 0.811 121.153 120.400 -0.097 0.000 2.009 109 K HA -0.246 4.075 4.320 0.001 0.000 0.210 109 K C 2.172 178.761 176.600 -0.018 0.000 1.049 109 K CA 1.516 57.773 56.287 -0.050 0.000 0.929 109 K CB -0.289 32.179 32.500 -0.052 0.000 0.714 109 K HN 0.175 nan 8.250 nan 0.000 0.440 110 K N 1.179 121.565 120.400 -0.024 0.000 2.020 110 K HA -0.243 4.077 4.320 0.001 0.000 0.212 110 K C 1.806 178.405 176.600 -0.001 0.000 1.050 110 K CA 1.687 57.967 56.287 -0.012 0.000 0.929 110 K CB -0.016 32.474 32.500 -0.017 0.000 0.714 110 K HN 0.034 nan 8.250 nan 0.000 0.443 111 E N 0.148 120.344 120.200 -0.006 0.000 2.150 111 E HA -0.072 4.279 4.350 0.001 0.000 0.193 111 E C 0.340 176.953 176.600 0.022 0.000 0.985 111 E CA 0.952 57.354 56.400 0.004 0.000 0.814 111 E CB -0.400 29.298 29.700 -0.003 0.000 0.752 111 E HN 0.462 nan 8.360 nan 0.000 0.466 112 A N 2.214 125.053 122.820 0.033 0.000 1.978 112 A HA -0.163 4.158 4.320 0.001 0.000 0.260 112 A C -2.144 175.498 177.584 0.096 0.000 1.340 112 A CA 0.587 52.672 52.037 0.079 0.000 0.740 112 A CB -1.486 17.554 19.000 0.066 0.000 1.189 112 A HN 0.102 nan 8.150 nan 0.000 0.299 113 P HA 0.534 nan 4.420 nan 0.000 0.310 113 P C 0.093 177.485 177.300 0.153 0.000 1.309 113 P CA -0.208 62.957 63.100 0.108 0.000 0.769 113 P CB 0.861 32.609 31.700 0.079 0.000 1.327 114 D N -1.669 118.771 120.400 0.067 0.000 2.479 114 D HA 0.180 4.821 4.640 0.001 0.000 0.216 114 D C 0.179 176.424 176.300 -0.093 0.000 1.110 114 D CA 0.624 54.629 54.000 0.008 0.000 0.841 114 D CB 0.558 41.385 40.800 0.045 0.000 1.040 114 D HN 0.164 nan 8.370 nan 0.000 0.505 115 M N 1.472 121.000 119.600 -0.120 0.000 2.322 115 M HA 0.299 4.780 4.480 0.001 0.000 0.286 115 M C -1.257 174.915 176.300 -0.214 0.000 1.111 115 M CA -0.724 54.403 55.300 -0.287 0.000 0.941 115 M CB 2.999 35.167 32.600 -0.719 0.000 1.671 115 M HN -0.378 nan 8.290 nan 0.000 0.470 116 V N 4.349 124.246 119.914 -0.028 0.000 2.409 116 V HA 0.537 4.658 4.120 0.001 0.000 0.291 116 V C -1.053 175.063 176.094 0.037 0.000 1.020 116 V CA -0.442 61.847 62.300 -0.017 0.000 0.848 116 V CB 1.666 33.537 31.823 0.080 0.000 0.990 116 V HN 0.585 nan 8.190 nan 0.000 0.430 117 F N 3.669 123.646 119.950 0.046 0.000 2.415 117 F HA 0.824 5.353 4.527 0.004 0.000 0.348 117 F C 0.530 176.357 175.800 0.044 0.000 1.119 117 F CA -1.141 56.884 58.000 0.042 0.000 1.069 117 F CB 1.625 40.645 39.000 0.034 0.000 1.124 117 F HN 0.534 nan 8.300 nan 0.000 0.472 118 A N 1.756 124.713 122.820 0.227 0.000 2.430 118 A HA 0.861 5.182 4.320 0.001 0.000 0.300 118 A C 0.028 177.673 177.584 0.101 0.000 1.124 118 A CA -0.343 51.769 52.037 0.125 0.000 0.766 118 A CB 1.044 20.089 19.000 0.074 0.000 1.328 118 A HN 0.844 nan 8.150 nan 0.000 0.424 119 G N -1.013 107.831 108.800 0.073 0.000 2.588 119 G HA2 0.437 4.398 3.960 0.001 0.000 0.281 119 G HA3 0.437 4.398 3.960 0.001 0.000 0.281 119 G C 0.601 175.431 174.900 -0.116 0.000 1.236 119 G CA 0.092 45.236 45.100 0.074 0.000 0.969 119 G HN 0.748 nan 8.290 nan 0.000 0.504 120 V N -0.190 119.537 119.914 -0.312 0.000 2.649 120 V HA 0.115 4.236 4.120 0.001 0.000 0.248 120 V C 0.979 176.757 176.094 -0.527 0.000 1.054 120 V CA 2.233 64.333 62.300 -0.333 0.000 1.073 120 V CB -0.560 31.184 31.823 -0.131 0.000 0.699 120 V HN 0.871 nan 8.190 nan 0.000 0.463 121 Q N -1.250 117.913 119.800 -1.062 0.000 2.578 121 Q HA 0.422 4.762 4.340 0.001 0.000 0.284 121 Q C -0.900 174.550 176.000 -0.917 0.000 0.960 121 Q CA -0.565 54.745 55.803 -0.822 0.000 0.809 121 Q CB 1.587 29.917 28.738 -0.680 0.000 1.462 121 Q HN 0.160 nan 8.270 nan 0.000 0.392 122 S N 0.350 115.807 115.700 -0.405 0.000 2.601 122 S HA 0.247 4.718 4.470 0.001 0.000 0.271 122 S C 0.959 175.495 174.600 -0.107 0.000 1.305 122 S CA -0.026 58.056 58.200 -0.197 0.000 1.022 122 S CB 1.342 64.531 63.200 -0.019 0.000 0.940 122 S HN 0.911 nan 8.310 nan 0.000 0.525 123 S N 0.741 116.528 115.700 0.146 0.000 2.406 123 S HA -0.164 4.307 4.470 0.001 0.000 0.228 123 S C 1.152 175.792 174.600 0.066 0.000 1.020 123 S CA 1.057 59.404 58.200 0.246 0.000 0.965 123 S CB -0.814 62.541 63.200 0.260 0.000 0.798 123 S HN 0.890 nan 8.310 nan 0.000 0.488 124 D N 1.428 121.835 120.400 0.012 0.000 2.165 124 D HA -0.058 4.583 4.640 0.001 0.000 0.213 124 D C 1.819 178.046 176.300 -0.122 0.000 0.983 124 D CA 0.858 54.829 54.000 -0.048 0.000 0.881 124 D CB -0.696 40.081 40.800 -0.038 0.000 1.028 124 D HN 0.278 nan 8.370 nan 0.000 0.457 125 Q N 0.028 119.725 119.800 -0.172 0.000 2.392 125 Q HA 0.394 4.735 4.340 0.001 0.000 0.203 125 Q C 0.589 176.261 176.000 -0.548 0.000 0.917 125 Q CA 0.600 56.143 55.803 -0.433 0.000 0.939 125 Q CB -0.133 28.196 28.738 -0.682 0.000 1.063 125 Q HN 0.496 nan 8.270 nan 0.000 0.516 126 A N 1.048 123.677 122.820 -0.318 0.000 2.261 126 A HA -0.271 4.050 4.320 0.001 0.000 0.282 126 A C 0.216 177.610 177.584 -0.317 0.000 1.403 126 A CA 0.750 52.623 52.037 -0.273 0.000 0.753 126 A CB -2.100 16.781 19.000 -0.200 0.000 1.125 126 A HN 0.452 nan 8.150 nan 0.000 0.358 127 Y N 0.006 120.244 120.300 -0.102 0.000 2.153 127 Y HA 0.153 4.705 4.550 0.003 0.000 0.289 127 Y C 2.079 177.921 175.900 -0.097 0.000 1.127 127 Y CA 1.534 59.584 58.100 -0.083 0.000 1.131 127 Y CB -0.107 38.312 38.460 -0.067 0.000 0.995 127 Y HN 1.699 nan 8.280 nan 0.000 0.505 128 A N -0.355 122.487 122.820 0.035 0.000 2.930 128 A HA -0.222 4.099 4.320 0.001 0.000 0.273 128 A C 1.207 178.784 177.584 -0.011 0.000 1.435 128 A CA 0.934 52.939 52.037 -0.053 0.000 0.780 128 A CB -2.050 16.904 19.000 -0.077 0.000 1.034 128 A HN 0.389 nan 8.150 nan 0.000 0.562 129 S N -2.314 113.397 115.700 0.018 0.000 2.619 129 S HA 0.066 4.536 4.470 0.001 0.000 0.238 129 S C 1.598 176.172 174.600 -0.043 0.000 1.068 129 S CA 0.827 59.019 58.200 -0.014 0.000 0.926 129 S CB 0.172 63.368 63.200 -0.008 0.000 0.864 129 S HN 0.682 nan 8.310 nan 0.000 0.493 130 T N 2.107 116.637 114.554 -0.040 0.000 2.833 130 T HA -0.021 4.330 4.350 0.001 0.000 0.269 130 T C 1.939 176.619 174.700 -0.034 0.000 1.054 130 T CA 1.531 63.604 62.100 -0.046 0.000 1.135 130 T CB -0.494 68.351 68.868 -0.038 0.000 0.869 130 T HN 0.539 nan 8.240 nan 0.000 0.466 131 G N 1.120 109.901 108.800 -0.031 0.000 2.396 131 G HA2 -0.053 3.908 3.960 0.001 0.000 0.214 131 G HA3 -0.053 3.908 3.960 0.001 0.000 0.214 131 G C 1.366 176.237 174.900 -0.048 0.000 1.166 131 G CA 0.113 45.204 45.100 -0.016 0.000 0.793 131 G HN 0.384 nan 8.290 nan 0.000 0.533 132 I N 1.264 121.786 120.570 -0.079 0.000 2.546 132 I HA -0.018 4.153 4.170 0.001 0.000 0.255 132 I C 2.721 178.708 176.117 -0.216 0.000 1.163 132 I CA 0.866 62.057 61.300 -0.181 0.000 1.457 132 I CB -0.509 37.403 38.000 -0.147 0.000 1.092 132 I HN 0.185 nan 8.210 nan 0.000 0.434 133 S N 0.720 116.343 115.700 -0.128 0.000 2.357 133 S HA -0.083 4.388 4.470 0.001 0.000 0.221 133 S C 2.206 176.781 174.600 -0.041 0.000 1.031 133 S CA 1.034 59.165 58.200 -0.115 0.000 0.982 133 S CB -0.121 63.058 63.200 -0.035 0.000 0.853 133 S HN 0.204 nan 8.310 nan 0.000 0.458 134 V N 2.214 122.122 119.914 -0.010 0.000 2.453 134 V HA -0.200 3.921 4.120 0.001 0.000 0.252 134 V C 2.641 178.682 176.094 -0.089 0.000 1.068 134 V CA 1.812 64.103 62.300 -0.016 0.000 1.070 134 V CB -1.201 30.585 31.823 -0.061 0.000 0.664 134 V HN 0.594 nan 8.190 nan 0.000 0.461 135 A N -0.912 121.828 122.820 -0.134 0.000 2.067 135 A HA -0.127 4.194 4.320 0.001 0.000 0.217 135 A C 2.495 179.987 177.584 -0.153 0.000 1.156 135 A CA 1.650 53.603 52.037 -0.140 0.000 0.683 135 A CB -0.415 18.457 19.000 -0.214 0.000 0.808 135 A HN 0.507 nan 8.150 nan 0.000 0.455 136 S N -1.695 113.869 115.700 -0.228 0.000 2.395 136 S HA -0.091 4.380 4.470 0.001 0.000 0.225 136 S C 1.825 176.348 174.600 -0.128 0.000 1.027 136 S CA 1.028 59.107 58.200 -0.200 0.000 0.965 136 S CB -0.511 62.498 63.200 -0.319 0.000 0.812 136 S HN 0.623 nan 8.310 nan 0.000 0.482 137 Y N 1.056 121.291 120.300 -0.108 0.000 2.314 137 Y HA 0.156 4.706 4.550 -0.000 0.000 0.293 137 Y C 2.178 178.004 175.900 -0.123 0.000 1.129 137 Y CA 0.850 58.889 58.100 -0.101 0.000 1.201 137 Y CB -0.027 38.365 38.460 -0.113 0.000 0.999 137 Y HN 0.224 nan 8.280 nan 0.000 0.541 138 L N -0.293 120.902 121.223 -0.047 0.000 2.109 138 L HA -0.200 4.140 4.340 0.001 0.000 0.207 138 L C 0.646 177.476 176.870 -0.067 0.000 1.086 138 L CA 1.106 55.793 54.840 -0.255 0.000 0.760 138 L CB -0.255 41.379 42.059 -0.709 0.000 0.910 138 L HN 0.351 nan 8.230 nan 0.000 0.437 139 N N -1.432 117.306 118.700 0.062 0.000 2.814 139 N HA -0.190 4.551 4.740 0.001 0.000 0.247 139 N C -1.193 174.567 175.510 0.416 0.000 1.089 139 N CA 0.204 53.374 53.050 0.200 0.000 0.682 139 N CB -1.077 37.510 38.487 0.167 0.000 0.970 139 N HN 0.150 nan 8.380 nan 0.000 0.554 140 W N 0.134 121.491 121.300 0.094 0.000 2.578 140 W HA 0.531 5.191 4.660 0.000 0.000 0.353 140 W C -1.824 174.804 176.519 0.181 0.000 1.088 140 W CA -1.969 55.438 57.345 0.104 0.000 1.235 140 W CB -0.142 29.366 29.460 0.080 0.000 1.362 140 W HN 0.015 nan 8.180 nan 0.000 0.592 141 P HA 0.008 nan 4.420 nan 0.000 0.266 141 P C -0.392 177.043 177.300 0.225 0.000 1.215 141 P CA 0.772 63.947 63.100 0.126 0.000 0.763 141 P CB 0.181 31.894 31.700 0.022 0.000 0.806 142 H N 1.929 121.063 119.070 0.106 0.000 2.670 142 H HA 0.876 5.432 4.556 0.001 0.000 0.361 142 H C -1.119 174.251 175.328 0.069 0.000 1.169 142 H CA -1.516 54.593 56.048 0.101 0.000 1.198 142 H CB 1.709 31.529 29.762 0.097 0.000 1.700 142 H HN 0.367 nan 8.280 nan 0.000 0.542 143 A N 0.676 123.593 122.820 0.161 0.000 2.475 143 A HA 0.719 5.040 4.320 0.001 0.000 0.301 143 A C -1.004 176.650 177.584 0.117 0.000 1.059 143 A CA -0.311 51.787 52.037 0.102 0.000 0.710 143 A CB 1.627 20.663 19.000 0.061 0.000 1.288 143 A HN 1.043 nan 8.150 nan 0.000 0.408 144 A N 0.439 123.313 122.820 0.090 0.000 2.325 144 A HA 0.717 5.038 4.320 0.001 0.000 0.333 144 A C 0.134 177.745 177.584 0.045 0.000 1.155 144 A CA 0.086 52.164 52.037 0.069 0.000 0.814 144 A CB 0.479 19.515 19.000 0.060 0.000 1.206 144 A HN 2.155 nan 8.150 nan 0.000 0.482 145 V N 0.669 120.604 119.914 0.036 0.000 6.559 145 V HA -0.173 3.948 4.120 0.001 0.000 0.350 145 V C -0.044 176.063 176.094 0.022 0.000 0.427 145 V CA 0.439 62.758 62.300 0.031 0.000 0.706 145 V CB -2.771 29.068 31.823 0.027 0.000 0.281 145 V HN 0.840 nan 8.190 nan 0.000 1.130 146 V N 0.759 120.683 119.914 0.017 0.000 2.385 146 V HA 0.680 4.801 4.120 0.001 0.000 0.269 146 V C 1.142 177.222 176.094 -0.023 0.000 1.043 146 V CA 0.824 63.124 62.300 0.000 0.000 0.906 146 V CB 1.438 33.257 31.823 -0.006 0.000 0.995 146 V HN 0.899 nan 8.190 nan 0.000 0.467 147 A N 3.826 126.633 122.820 -0.021 0.000 2.470 147 A HA 0.355 4.676 4.320 0.001 0.000 0.251 147 A C 0.407 177.975 177.584 -0.026 0.000 1.245 147 A CA 0.042 52.056 52.037 -0.037 0.000 0.932 147 A CB 0.064 19.042 19.000 -0.036 0.000 1.037 147 A HN 0.778 nan 8.150 nan 0.000 0.522 148 D N -0.471 119.922 120.400 -0.013 0.000 2.836 148 D HA 0.329 4.970 4.640 0.001 0.000 0.215 148 D C -2.250 174.059 176.300 0.015 0.000 1.255 148 D CA -0.306 53.694 54.000 -0.000 0.000 0.822 148 D CB 1.558 42.363 40.800 0.008 0.000 1.656 148 D HN 0.032 nan 8.370 nan 0.000 0.511 149 L N 2.895 124.133 121.223 0.025 0.000 2.356 149 L HA 0.429 4.770 4.340 0.001 0.000 0.277 149 L C -1.074 175.850 176.870 0.090 0.000 0.996 149 L CA -0.210 54.669 54.840 0.064 0.000 0.822 149 L CB 1.630 43.722 42.059 0.056 0.000 1.256 149 L HN 0.318 nan 8.230 nan 0.000 0.413 150 Q N 5.124 124.988 119.800 0.106 0.000 2.368 150 Q HA 0.516 4.857 4.340 0.001 0.000 0.263 150 Q C -1.693 174.416 176.000 0.181 0.000 1.009 150 Q CA -0.291 55.583 55.803 0.117 0.000 0.818 150 Q CB 2.015 30.794 28.738 0.067 0.000 1.239 150 Q HN 0.527 nan 8.270 nan 0.000 0.464 151 Y N 0.795 121.128 120.300 0.056 0.000 2.396 151 Y HA 0.597 5.149 4.550 0.003 0.000 0.332 151 Y C -1.237 174.691 175.900 0.046 0.000 1.034 151 Y CA -0.603 57.531 58.100 0.056 0.000 1.057 151 Y CB 0.960 39.478 38.460 0.097 0.000 1.220 151 Y HN 0.514 nan 8.280 nan 0.000 0.440 152 K N 5.291 125.473 120.400 -0.364 0.000 2.166 152 K HA 0.765 5.086 4.320 0.001 0.000 0.245 152 K C -3.163 173.018 176.600 -0.698 0.000 0.967 152 K CA -2.260 53.850 56.287 -0.295 0.000 0.863 152 K CB 0.415 32.807 32.500 -0.181 0.000 1.107 152 K HN 0.511 nan 8.250 nan 0.000 0.436 153 P HA 0.101 nan 4.420 nan 0.000 0.261 153 P C 0.715 177.859 177.300 -0.260 0.000 1.173 153 P CA 1.945 64.947 63.100 -0.164 0.000 0.760 153 P CB 0.589 32.293 31.700 0.007 0.000 0.783 154 G N 1.765 110.455 108.800 -0.184 0.000 2.246 154 G HA2 -0.206 3.755 3.960 0.001 0.000 0.273 154 G HA3 -0.206 3.755 3.960 0.001 0.000 0.273 154 G C -0.204 174.579 174.900 -0.195 0.000 1.055 154 G CA -0.324 44.708 45.100 -0.114 0.000 0.851 154 G HN 0.445 nan 8.290 nan 0.000 0.500 155 D N -0.632 119.546 120.400 -0.370 0.000 2.312 155 D HA 0.274 4.915 4.640 0.001 0.000 0.248 155 D C 1.581 177.813 176.300 -0.114 0.000 1.086 155 D CA -0.447 53.397 54.000 -0.259 0.000 0.948 155 D CB 0.529 41.112 40.800 -0.360 0.000 1.162 155 D HN 0.242 nan 8.370 nan 0.000 0.446 156 N N 0.614 119.271 118.700 -0.071 0.000 2.336 156 N HA -0.072 4.669 4.740 0.001 0.000 0.189 156 N C -0.387 175.113 175.510 -0.016 0.000 1.113 156 N CA 0.282 53.308 53.050 -0.041 0.000 0.858 156 N CB 0.540 39.002 38.487 -0.042 0.000 0.970 156 N HN 0.107 nan 8.380 nan 0.000 0.471 157 K N 0.141 120.537 120.400 -0.007 0.000 2.550 157 K HA 0.618 4.939 4.320 0.001 0.000 0.252 157 K C -1.695 174.934 176.600 0.048 0.000 0.943 157 K CA -0.528 55.766 56.287 0.012 0.000 0.806 157 K CB 2.325 34.819 32.500 -0.011 0.000 1.289 157 K HN 0.168 nan 8.250 nan 0.000 0.435 158 A N 1.770 124.648 122.820 0.098 0.000 2.437 158 A HA 0.852 5.173 4.320 0.001 0.000 0.292 158 A C -1.377 176.259 177.584 0.086 0.000 1.173 158 A CA -0.702 51.419 52.037 0.139 0.000 0.785 158 A CB 1.668 20.838 19.000 0.284 0.000 1.351 158 A HN 0.342 nan 8.150 nan 0.000 0.431 159 V N 1.383 121.349 119.914 0.088 0.000 2.462 159 V HA 0.433 4.554 4.120 0.001 0.000 0.288 159 V C -0.592 175.538 176.094 0.059 0.000 1.020 159 V CA -0.098 62.237 62.300 0.058 0.000 0.857 159 V CB 0.630 32.478 31.823 0.042 0.000 1.013 159 V HN 0.822 nan 8.190 nan 0.000 0.431 160 I N 2.162 122.762 120.570 0.050 0.000 2.982 160 I HA 0.817 4.988 4.170 0.001 0.000 0.312 160 I C -0.203 175.931 176.117 0.028 0.000 1.041 160 I CA -1.053 60.274 61.300 0.044 0.000 1.053 160 I CB 1.879 39.908 38.000 0.049 0.000 1.248 160 I HN 0.427 nan 8.210 nan 0.000 0.471 161 R N 2.064 122.577 120.500 0.021 0.000 2.473 161 R HA 0.493 4.833 4.340 0.001 0.000 0.303 161 R C -1.036 175.269 176.300 0.009 0.000 1.002 161 R CA -0.770 55.338 56.100 0.013 0.000 0.884 161 R CB 1.624 31.929 30.300 0.009 0.000 1.173 161 R HN 0.549 nan 8.270 nan 0.000 0.464 162 R N 1.586 122.092 120.500 0.011 0.000 2.522 162 R HA -0.045 4.296 4.340 0.001 0.000 0.284 162 R C -0.029 176.274 176.300 0.005 0.000 1.032 162 R CA 0.395 56.501 56.100 0.011 0.000 1.049 162 R CB 0.576 30.884 30.300 0.013 0.000 0.956 162 R HN 0.531 nan 8.270 nan 0.000 0.422 163 E N 5.008 125.210 120.200 0.002 0.000 2.014 163 E HA 0.102 4.453 4.350 0.001 0.000 0.275 163 E C -0.410 176.191 176.600 0.003 0.000 0.997 163 E CA -0.343 56.056 56.400 -0.002 0.000 0.804 163 E CB 0.449 30.142 29.700 -0.011 0.000 1.090 163 E HN 0.384 nan 8.360 nan 0.000 0.401 164 L N 2.651 123.876 121.223 0.003 0.000 2.482 164 L HA 0.231 4.572 4.340 0.001 0.000 0.242 164 L C 0.435 177.307 176.870 0.004 0.000 1.210 164 L CA -0.720 54.123 54.840 0.005 0.000 0.819 164 L CB 0.249 42.310 42.059 0.004 0.000 1.203 164 L HN 0.484 nan 8.230 nan 0.000 0.495 165 E N 0.389 120.592 120.200 0.005 0.000 2.417 165 E HA 0.258 4.609 4.350 0.001 0.000 0.261 165 E C 0.822 177.423 176.600 0.002 0.000 1.000 165 E CA 1.065 57.468 56.400 0.004 0.000 0.919 165 E CB 0.380 30.082 29.700 0.005 0.000 0.955 165 E HN 0.742 nan 8.360 nan 0.000 0.455 166 G N 2.297 111.098 108.800 0.001 0.000 2.284 166 G HA2 -0.290 3.671 3.960 0.001 0.000 0.247 166 G HA3 -0.290 3.671 3.960 0.001 0.000 0.247 166 G C 0.969 175.867 174.900 -0.003 0.000 1.012 166 G CA 0.163 45.262 45.100 -0.001 0.000 0.618 166 G HN 1.402 nan 8.290 nan 0.000 0.521 167 G N -0.829 107.969 108.800 -0.003 0.000 2.367 167 G HA2 0.027 3.988 3.960 0.001 0.000 0.181 167 G HA3 0.027 3.988 3.960 0.001 0.000 0.181 167 G C 0.461 175.358 174.900 -0.005 0.000 1.000 167 G CA 0.729 45.825 45.100 -0.006 0.000 0.693 167 G HN 1.629 nan 8.290 nan 0.000 0.480 168 M N 2.871 122.470 119.600 -0.003 0.000 2.284 168 M HA 0.481 4.962 4.480 0.001 0.000 0.351 168 M C 0.283 176.582 176.300 -0.001 0.000 1.443 168 M CA 0.313 55.612 55.300 -0.002 0.000 1.031 168 M CB 0.141 32.741 32.600 -0.000 0.000 1.893 168 M HN 0.200 nan 8.290 nan 0.000 0.456 169 L N 4.332 125.554 121.223 -0.001 0.000 2.416 169 L HA 0.479 4.820 4.340 0.001 0.000 0.262 169 L C -0.141 176.730 176.870 0.002 0.000 1.093 169 L CA -0.646 54.194 54.840 -0.000 0.000 0.801 169 L CB 1.218 43.277 42.059 -0.001 0.000 1.191 169 L HN 0.702 nan 8.230 nan 0.000 0.459 170 Q N 1.069 120.871 119.800 0.004 0.000 2.331 170 Q HA 0.298 4.639 4.340 0.001 0.000 0.272 170 Q C -1.356 174.648 176.000 0.007 0.000 1.062 170 Q CA -0.635 55.171 55.803 0.005 0.000 0.806 170 Q CB 2.493 31.233 28.738 0.005 0.000 1.312 170 Q HN 0.563 nan 8.270 nan 0.000 0.431 171 E N 1.900 122.105 120.200 0.007 0.000 2.283 171 E HA 0.429 4.780 4.350 0.001 0.000 0.278 171 E C -1.154 175.452 176.600 0.011 0.000 1.027 171 E CA -0.432 55.974 56.400 0.010 0.000 0.843 171 E CB 1.629 31.335 29.700 0.010 0.000 1.062 171 E HN 0.397 nan 8.360 nan 0.000 0.401 172 V N 2.841 122.764 119.914 0.015 0.000 2.823 172 V HA 0.312 4.432 4.120 0.001 0.000 0.312 172 V C -0.439 175.667 176.094 0.020 0.000 1.072 172 V CA -0.842 61.467 62.300 0.014 0.000 0.937 172 V CB 1.992 33.822 31.823 0.011 0.000 1.013 172 V HN 0.660 nan 8.190 nan 0.000 0.430 173 E N 2.909 123.118 120.200 0.014 0.000 2.165 173 E HA 0.666 5.017 4.350 0.001 0.000 0.266 173 E C -1.644 174.965 176.600 0.014 0.000 0.889 173 E CA -0.507 55.903 56.400 0.017 0.000 0.756 173 E CB 2.077 31.782 29.700 0.009 0.000 1.131 173 E HN 0.699 nan 8.360 nan 0.000 0.411 174 I N 3.999 124.584 120.570 0.025 0.000 2.582 174 I HA 0.335 4.506 4.170 0.001 0.000 0.292 174 I C -0.895 175.234 176.117 0.021 0.000 1.066 174 I CA -0.730 60.582 61.300 0.020 0.000 1.053 174 I CB 1.626 39.646 38.000 0.033 0.000 1.241 174 I HN 0.509 nan 8.210 nan 0.000 0.421 175 N N 6.077 124.774 118.700 -0.005 0.000 2.514 175 N HA 0.315 5.056 4.740 0.001 0.000 0.277 175 N C -1.140 174.343 175.510 -0.046 0.000 1.126 175 N CA -0.390 52.645 53.050 -0.025 0.000 0.978 175 N CB 1.097 39.560 38.487 -0.040 0.000 1.106 175 N HN 0.466 nan 8.380 nan 0.000 0.461 176 C N 2.041 121.311 119.300 -0.051 0.000 2.470 176 C HA 0.527 4.988 4.460 0.001 0.000 0.341 176 C C -1.981 172.883 174.990 -0.209 0.000 1.190 176 C CA -1.293 57.673 59.018 -0.086 0.000 1.904 176 C CB 1.480 29.276 27.740 0.093 0.000 2.354 176 C HN 0.591 nan 8.230 nan 0.000 0.509 177 P HA 0.411 nan 4.420 nan 0.000 0.276 177 P C -0.991 175.896 177.300 -0.689 0.000 1.230 177 P CA 0.430 63.161 63.100 -0.616 0.000 0.776 177 P CB 0.842 31.895 31.700 -1.077 0.000 0.888 178 A N 3.228 125.899 122.820 -0.248 0.000 2.449 178 A HA 0.505 4.826 4.320 0.001 0.000 0.302 178 A C -0.686 177.058 177.584 0.267 0.000 1.048 178 A CA -0.739 51.330 52.037 0.053 0.000 0.708 178 A CB 1.516 20.547 19.000 0.052 0.000 1.274 178 A HN 0.305 nan 8.150 nan 0.000 0.410 179 V N 2.820 122.991 119.914 0.428 0.000 2.488 179 V HA 0.331 4.452 4.120 0.001 0.000 0.277 179 V C -0.177 176.079 176.094 0.269 0.000 1.046 179 V CA 0.233 62.727 62.300 0.325 0.000 0.986 179 V CB 0.477 32.457 31.823 0.261 0.000 0.989 179 V HN 0.656 nan 8.190 nan 0.000 0.475 180 L N 4.809 126.197 121.223 0.276 0.000 2.381 180 L HA 0.481 4.822 4.340 0.001 0.000 0.274 180 L C 0.257 177.235 176.870 0.181 0.000 0.988 180 L CA -0.525 54.454 54.840 0.232 0.000 0.824 180 L CB 2.496 44.710 42.059 0.259 0.000 1.263 180 L HN 0.728 nan 8.230 nan 0.000 0.410 181 T N 1.236 115.857 114.554 0.111 0.000 2.729 181 T HA 0.440 4.791 4.350 0.001 0.000 0.296 181 T C -0.041 174.685 174.700 0.042 0.000 0.928 181 T CA -0.666 61.473 62.100 0.066 0.000 1.045 181 T CB 0.273 69.159 68.868 0.029 0.000 0.902 181 T HN 0.154 nan 8.240 nan 0.000 0.500 182 I N 3.583 124.174 120.570 0.034 0.000 2.416 182 I HA 0.328 4.499 4.170 0.001 0.000 0.288 182 I C 0.402 176.594 176.117 0.126 0.000 1.051 182 I CA -0.409 60.899 61.300 0.013 0.000 1.375 182 I CB 0.741 38.724 38.000 -0.028 0.000 1.407 182 I HN 0.793 nan 8.210 nan 0.000 0.516 183 Q N 5.554 125.390 119.800 0.061 0.000 2.205 183 Q HA 0.571 4.912 4.340 0.001 0.000 0.249 183 Q C -0.993 174.868 176.000 -0.231 0.000 0.948 183 Q CA -0.502 55.343 55.803 0.070 0.000 0.895 183 Q CB 1.320 30.076 28.738 0.030 0.000 1.249 183 Q HN 0.494 nan 8.270 nan 0.000 0.458 184 L N 1.687 122.655 121.223 -0.424 0.000 2.461 184 L HA 0.397 4.738 4.340 0.001 0.000 0.272 184 L C 1.232 177.647 176.870 -0.757 0.000 1.197 184 L CA 0.588 54.801 54.840 -1.045 0.000 0.836 184 L CB 0.266 41.738 42.059 -0.978 0.000 1.105 184 L HN 1.005 nan 8.230 nan 0.000 0.477 185 G N 1.925 110.118 108.800 -1.010 0.000 2.157 185 G HA2 -0.294 3.667 3.960 0.001 0.000 0.248 185 G HA3 -0.294 3.667 3.960 0.001 0.000 0.248 185 G C 0.621 175.410 174.900 -0.184 0.000 0.979 185 G CA 0.400 45.284 45.100 -0.360 0.000 0.650 185 G HN 0.717 nan 8.290 nan 0.000 0.529 186 I N 0.457 120.895 120.570 -0.220 0.000 2.617 186 I HA 0.141 4.311 4.170 0.001 0.000 0.256 186 I C 1.014 177.179 176.117 0.080 0.000 1.167 186 I CA 1.773 63.052 61.300 -0.034 0.000 1.469 186 I CB 0.008 37.985 38.000 -0.040 0.000 1.098 186 I HN 0.647 nan 8.210 nan 0.000 0.436 187 N N -0.605 118.237 118.700 0.236 0.000 3.364 187 N HA 0.357 5.098 4.740 0.001 0.000 0.294 187 N C -0.861 174.755 175.510 0.176 0.000 1.562 187 N CA -0.410 52.733 53.050 0.155 0.000 0.862 187 N CB 0.570 39.109 38.487 0.086 0.000 1.691 187 N HN -0.228 nan 8.380 nan 0.000 0.572 188 K N -0.446 119.965 120.400 0.019 0.000 2.562 188 K HA 0.547 4.868 4.320 0.001 0.000 0.206 188 K C -2.764 173.713 176.600 -0.205 0.000 1.033 188 K CA -1.628 54.616 56.287 -0.073 0.000 1.029 188 K CB -0.174 32.312 32.500 -0.023 0.000 1.393 188 K HN 0.613 nan 8.250 nan 0.000 0.539 189 P HA -0.093 nan 4.420 nan 0.000 0.261 189 P C 0.227 177.240 177.300 -0.479 0.000 1.173 189 P CA 0.087 62.920 63.100 -0.445 0.000 0.760 189 P CB 0.491 31.792 31.700 -0.664 0.000 0.783 190 R N 2.925 123.218 120.500 -0.345 0.000 2.919 190 R HA 0.239 4.580 4.340 0.001 0.000 0.284 190 R C -0.545 175.427 176.300 -0.547 0.000 1.104 190 R CA 0.041 55.953 56.100 -0.313 0.000 1.207 190 R CB -0.016 30.197 30.300 -0.144 0.000 1.162 190 R HN 0.324 nan 8.270 nan 0.000 0.561 191 Y N -1.784 118.485 120.300 -0.050 0.000 2.524 191 Y HA 0.504 5.046 4.550 -0.013 0.000 0.344 191 Y C -0.048 175.835 175.900 -0.028 0.000 1.012 191 Y CA -1.172 56.902 58.100 -0.043 0.000 1.068 191 Y CB 2.213 40.649 38.460 -0.041 0.000 1.249 191 Y HN 0.800 nan 8.280 nan 0.000 0.468 192 A N 1.720 124.625 122.820 0.142 0.000 2.362 192 A HA 0.468 4.789 4.320 0.001 0.000 0.276 192 A C 0.194 177.814 177.584 0.060 0.000 1.153 192 A CA -0.570 51.508 52.037 0.068 0.000 0.813 192 A CB -0.370 18.660 19.000 0.051 0.000 1.081 192 A HN 0.769 nan 8.150 nan 0.000 0.507 193 S N 2.534 118.258 115.700 0.040 0.000 2.580 193 S HA 0.199 4.670 4.470 0.001 0.000 0.266 193 S C 1.128 175.740 174.600 0.019 0.000 1.354 193 S CA -0.360 57.856 58.200 0.026 0.000 1.008 193 S CB 0.235 63.447 63.200 0.020 0.000 0.898 193 S HN 0.558 nan 8.310 nan 0.000 0.555 194 L N 0.505 121.735 121.223 0.012 0.000 2.046 194 L HA -0.088 4.253 4.340 0.001 0.000 0.208 194 L C 3.011 179.886 176.870 0.008 0.000 1.077 194 L CA 1.771 56.616 54.840 0.008 0.000 0.747 194 L CB -0.487 41.574 42.059 0.003 0.000 0.896 194 L HN 0.819 nan 8.230 nan 0.000 0.432 195 R N 0.301 120.806 120.500 0.008 0.000 2.096 195 R HA -0.127 4.214 4.340 0.001 0.000 0.235 195 R C 2.224 178.529 176.300 0.009 0.000 1.127 195 R CA 1.418 57.523 56.100 0.007 0.000 0.968 195 R CB -0.506 29.798 30.300 0.007 0.000 0.861 195 R HN 0.326 nan 8.270 nan 0.000 0.440 196 G N 0.897 109.704 108.800 0.012 0.000 2.440 196 G HA2 -0.237 3.724 3.960 0.001 0.000 0.218 196 G HA3 -0.237 3.724 3.960 0.001 0.000 0.218 196 G C 1.393 176.300 174.900 0.012 0.000 1.154 196 G CA 1.064 46.171 45.100 0.013 0.000 0.767 196 G HN 0.329 nan 8.290 nan 0.000 0.552 197 I N 0.029 120.607 120.570 0.013 0.000 2.716 197 I HA 0.041 4.211 4.170 0.001 0.000 0.259 197 I C 2.553 178.675 176.117 0.009 0.000 1.172 197 I CA 0.613 61.920 61.300 0.012 0.000 1.478 197 I CB 0.009 38.017 38.000 0.013 0.000 1.104 197 I HN 0.095 nan 8.210 nan 0.000 0.439 198 K N 0.970 121.375 120.400 0.008 0.000 2.009 198 K HA -0.256 4.064 4.320 0.001 0.000 0.210 198 K C 2.095 178.698 176.600 0.005 0.000 1.049 198 K CA 1.694 57.984 56.287 0.005 0.000 0.929 198 K CB -0.075 32.428 32.500 0.005 0.000 0.714 198 K HN 0.258 nan 8.250 nan 0.000 0.440 199 Q N -0.896 118.908 119.800 0.006 0.000 2.437 199 Q HA -0.045 4.296 4.340 0.001 0.000 0.210 199 Q C 1.329 177.332 176.000 0.006 0.000 0.972 199 Q CA 0.948 56.755 55.803 0.006 0.000 0.903 199 Q CB 0.160 28.902 28.738 0.007 0.000 0.967 199 Q HN 0.425 nan 8.270 nan 0.000 0.486 200 A N -0.772 122.052 122.820 0.006 0.000 2.220 200 A HA 0.291 4.612 4.320 0.001 0.000 0.211 200 A C 1.960 179.547 177.584 0.004 0.000 1.176 200 A CA 0.675 52.715 52.037 0.006 0.000 0.834 200 A CB -0.054 18.950 19.000 0.007 0.000 0.868 200 A HN 0.367 nan 8.150 nan 0.000 0.488 201 A N 0.418 123.241 122.820 0.004 0.000 1.877 201 A HA -0.147 4.174 4.320 0.001 0.000 0.216 201 A C 2.419 180.004 177.584 0.002 0.000 1.186 201 A CA 2.469 54.508 52.037 0.002 0.000 0.620 201 A CB -1.379 17.622 19.000 0.002 0.000 0.822 201 A HN 0.790 nan 8.150 nan 0.000 0.443 202 T N -2.063 112.492 114.554 0.003 0.000 3.007 202 T HA 0.013 4.364 4.350 0.001 0.000 0.270 202 T C 0.812 175.514 174.700 0.003 0.000 1.107 202 T CA 0.937 63.039 62.100 0.002 0.000 1.118 202 T CB -0.373 68.497 68.868 0.003 0.000 0.889 202 T HN 0.322 nan 8.240 nan 0.000 0.506 203 K N 3.240 123.642 120.400 0.003 0.000 2.350 203 K HA 0.302 4.623 4.320 0.001 0.000 0.279 203 K C -2.375 174.227 176.600 0.003 0.000 1.027 203 K CA -1.982 54.308 56.287 0.004 0.000 0.969 203 K CB 0.513 33.017 32.500 0.005 0.000 0.954 203 K HN 0.240 nan 8.250 nan 0.000 0.474 204 P HA -0.013 nan 4.420 nan 0.000 0.264 204 P C -0.644 176.658 177.300 0.003 0.000 1.193 204 P CA 0.352 63.454 63.100 0.003 0.000 0.763 204 P CB 0.410 32.112 31.700 0.004 0.000 0.810 205 I N 2.855 123.426 120.570 0.001 0.000 2.365 205 I HA 0.151 4.322 4.170 0.001 0.000 0.291 205 I C 1.026 177.145 176.117 0.005 0.000 1.004 205 I CA -0.481 60.820 61.300 0.002 0.000 1.311 205 I CB 0.731 38.729 38.000 -0.004 0.000 1.401 205 I HN 0.227 nan 8.210 nan 0.000 0.491 206 E N 5.594 125.798 120.200 0.007 0.000 2.289 206 E HA 0.191 4.542 4.350 0.001 0.000 0.278 206 E C -0.588 176.020 176.600 0.014 0.000 1.032 206 E CA -0.412 55.994 56.400 0.010 0.000 0.854 206 E CB 1.181 30.887 29.700 0.009 0.000 1.046 206 E HN 0.465 nan 8.360 nan 0.000 0.409 207 E N 2.694 122.905 120.200 0.018 0.000 2.156 207 E HA 0.305 4.656 4.350 0.001 0.000 0.279 207 E C -1.390 175.228 176.600 0.030 0.000 0.965 207 E CA -0.620 55.798 56.400 0.031 0.000 0.789 207 E CB 1.176 30.898 29.700 0.035 0.000 1.098 207 E HN 0.159 nan 8.360 nan 0.000 0.397 208 V N 3.957 123.895 119.914 0.040 0.000 2.495 208 V HA 0.322 4.443 4.120 0.001 0.000 0.298 208 V C -0.202 175.911 176.094 0.031 0.000 1.031 208 V CA -0.584 61.732 62.300 0.026 0.000 0.871 208 V CB 1.746 33.580 31.823 0.018 0.000 0.988 208 V HN 0.790 nan 8.190 nan 0.000 0.432 209 S N 5.060 120.765 115.700 0.008 0.000 2.565 209 S HA 0.521 4.991 4.470 0.001 0.000 0.290 209 S C 1.080 175.658 174.600 -0.036 0.000 1.150 209 S CA -0.707 57.486 58.200 -0.012 0.000 1.058 209 S CB 1.271 64.460 63.200 -0.018 0.000 1.032 209 S HN 0.555 nan 8.310 nan 0.000 0.510 210 L N 2.020 123.202 121.223 -0.068 0.000 2.054 210 L HA -0.268 4.073 4.340 0.001 0.000 0.220 210 L C 3.052 179.881 176.870 -0.068 0.000 1.081 210 L CA 2.156 56.946 54.840 -0.084 0.000 0.780 210 L CB -1.197 40.790 42.059 -0.120 0.000 0.893 210 L HN 0.962 nan 8.230 nan 0.000 0.438 211 A N -0.500 122.285 122.820 -0.059 0.000 1.933 211 A HA -0.237 4.084 4.320 0.001 0.000 0.218 211 A C 1.853 179.414 177.584 -0.038 0.000 1.175 211 A CA 1.948 53.957 52.037 -0.047 0.000 0.628 211 A CB -0.540 18.435 19.000 -0.040 0.000 0.814 211 A HN 0.394 nan 8.150 nan 0.000 0.444 212 D N -0.137 120.244 120.400 -0.032 0.000 2.271 212 D HA -0.136 4.505 4.640 0.001 0.000 0.207 212 D C 1.384 177.665 176.300 -0.031 0.000 0.983 212 D CA 1.585 55.570 54.000 -0.025 0.000 0.878 212 D CB -0.202 40.588 40.800 -0.017 0.000 0.920 212 D HN 0.773 nan 8.370 nan 0.000 0.479 213 I N -5.089 115.456 120.570 -0.041 0.000 3.707 213 I HA 0.417 4.588 4.170 0.001 0.000 0.330 213 I C 0.824 176.905 176.117 -0.060 0.000 1.572 213 I CA -0.102 61.169 61.300 -0.049 0.000 1.104 213 I CB 0.427 38.395 38.000 -0.053 0.000 1.240 213 I HN -0.058 nan 8.210 nan 0.000 0.475 214 G N 2.087 110.855 108.800 -0.054 0.000 2.198 214 G HA2 -0.245 3.716 3.960 0.001 0.000 0.260 214 G HA3 -0.245 3.716 3.960 0.001 0.000 0.260 214 G C -0.192 174.668 174.900 -0.068 0.000 1.025 214 G CA 0.748 45.815 45.100 -0.054 0.000 0.769 214 G HN 0.488 nan 8.290 nan 0.000 0.507 215 L N -0.294 120.884 121.223 -0.076 0.000 2.341 215 L HA 0.917 5.257 4.340 0.001 0.000 0.267 215 L C 0.769 177.590 176.870 -0.082 0.000 1.022 215 L CA -0.370 54.419 54.840 -0.087 0.000 0.844 215 L CB 1.988 43.983 42.059 -0.106 0.000 1.436 215 L HN 0.504 nan 8.230 nan 0.000 0.483 216 S N -1.334 114.313 115.700 -0.088 0.000 2.579 216 S HA 0.618 5.089 4.470 0.001 0.000 0.272 216 S C 0.422 174.963 174.600 -0.098 0.000 1.141 216 S CA -0.199 57.950 58.200 -0.085 0.000 0.843 216 S CB 1.413 64.573 63.200 -0.068 0.000 1.122 216 S HN 0.776 nan 8.310 nan 0.000 0.468 217 A N 2.174 124.934 122.820 -0.101 0.000 1.944 217 A HA -0.226 4.094 4.320 0.001 0.000 0.222 217 A C 2.195 179.726 177.584 -0.088 0.000 1.237 217 A CA 2.983 54.957 52.037 -0.105 0.000 0.668 217 A CB -2.377 16.568 19.000 -0.091 0.000 0.830 217 A HN 1.717 nan 8.150 nan 0.000 0.471 218 N N -0.421 118.237 118.700 -0.070 0.000 2.626 218 N HA -0.010 4.731 4.740 0.001 0.000 0.193 218 N C 1.185 176.658 175.510 -0.062 0.000 1.213 218 N CA 1.368 54.383 53.050 -0.058 0.000 0.914 218 N CB -0.581 37.879 38.487 -0.045 0.000 0.994 218 N HN 0.678 nan 8.380 nan 0.000 0.447 219 D N -1.064 119.289 120.400 -0.078 0.000 2.422 219 D HA 0.110 4.750 4.640 0.001 0.000 0.218 219 D C 1.215 177.461 176.300 -0.089 0.000 1.047 219 D CA 1.023 54.972 54.000 -0.084 0.000 0.885 219 D CB 0.660 41.401 40.800 -0.099 0.000 1.035 219 D HN 0.520 nan 8.370 nan 0.000 0.502 220 V N -2.741 117.115 119.914 -0.097 0.000 3.344 220 V HA 0.845 4.966 4.120 0.001 0.000 0.301 220 V C 0.660 176.703 176.094 -0.084 0.000 1.286 220 V CA -0.122 62.117 62.300 -0.101 0.000 1.028 220 V CB 0.608 32.349 31.823 -0.136 0.000 1.223 220 V HN 0.251 nan 8.190 nan 0.000 0.478 221 G N -1.094 107.657 108.800 -0.082 0.000 3.016 221 G HA2 0.125 4.086 3.960 0.001 0.000 0.518 221 G HA3 0.125 4.086 3.960 0.001 0.000 0.518 221 G C 0.884 175.766 174.900 -0.030 0.000 1.586 221 G CA 0.331 45.399 45.100 -0.054 0.000 1.051 221 G HN 2.273 nan 8.290 nan 0.000 0.572 222 A N 0.485 123.299 122.820 -0.010 0.000 2.139 222 A HA 0.166 4.487 4.320 0.001 0.000 0.221 222 A C 2.892 180.473 177.584 -0.004 0.000 1.159 222 A CA 2.809 54.847 52.037 0.001 0.000 0.662 222 A CB -0.692 18.319 19.000 0.018 0.000 0.796 222 A HN 2.427 nan 8.150 nan 0.000 0.463 223 A N -1.469 121.344 122.820 -0.012 0.000 2.024 223 A HA -0.156 4.165 4.320 0.001 0.000 0.220 223 A C 1.980 179.556 177.584 -0.012 0.000 1.164 223 A CA 1.661 53.691 52.037 -0.012 0.000 0.643 223 A CB -0.235 18.754 19.000 -0.017 0.000 0.806 223 A HN 0.451 nan 8.150 nan 0.000 0.451 224 Q N -0.012 119.777 119.800 -0.018 0.000 2.356 224 Q HA 0.225 4.566 4.340 0.001 0.000 0.205 224 Q C 0.666 176.660 176.000 -0.009 0.000 0.901 224 Q CA 0.122 55.915 55.803 -0.017 0.000 0.938 224 Q CB 0.016 28.737 28.738 -0.029 0.000 1.081 224 Q HN 0.562 nan 8.270 nan 0.000 0.517 225 S N 0.302 115.996 115.700 -0.009 0.000 2.633 225 S HA 0.157 4.628 4.470 0.001 0.000 0.257 225 S C 1.087 175.685 174.600 -0.004 0.000 1.265 225 S CA -0.123 58.070 58.200 -0.011 0.000 0.980 225 S CB 0.419 63.613 63.200 -0.010 0.000 1.017 225 S HN 0.108 nan 8.310 nan 0.000 0.577 226 M N 0.738 120.334 119.600 -0.008 0.000 2.461 226 M HA 0.220 4.700 4.480 0.001 0.000 0.255 226 M C 0.619 176.925 176.300 0.010 0.000 1.137 226 M CA 0.140 55.440 55.300 -0.001 0.000 1.086 226 M CB -0.885 31.710 32.600 -0.009 0.000 1.356 226 M HN 0.644 nan 8.290 nan 0.000 0.487 227 S N -0.276 115.435 115.700 0.018 0.000 2.841 227 S HA 0.835 5.306 4.470 0.001 0.000 0.318 227 S C -0.376 174.243 174.600 0.030 0.000 1.127 227 S CA -1.000 57.218 58.200 0.029 0.000 0.883 227 S CB 2.617 65.844 63.200 0.045 0.000 1.271 227 S HN 0.282 nan 8.310 nan 0.000 0.567 228 R N 0.054 120.576 120.500 0.036 0.000 2.651 228 R HA 0.541 4.882 4.340 0.001 0.000 0.278 228 R C -1.970 174.356 176.300 0.045 0.000 1.010 228 R CA -0.646 55.476 56.100 0.036 0.000 0.896 228 R CB 1.775 32.092 30.300 0.028 0.000 1.211 228 R HN 0.564 nan 8.270 nan 0.000 0.456 229 V N 5.888 125.831 119.914 0.049 0.000 2.479 229 V HA 0.136 4.256 4.120 0.001 0.000 0.281 229 V C 1.526 177.650 176.094 0.052 0.000 1.031 229 V CA 0.162 62.494 62.300 0.054 0.000 1.038 229 V CB 1.009 32.867 31.823 0.058 0.000 0.981 229 V HN 0.768 nan 8.190 nan 0.000 0.478 230 R N 3.434 123.968 120.500 0.057 0.000 2.051 230 R HA 0.314 4.655 4.340 0.001 0.000 0.218 230 R C 0.587 176.932 176.300 0.076 0.000 1.188 230 R CA 0.568 56.704 56.100 0.061 0.000 0.992 230 R CB 0.330 30.666 30.300 0.061 0.000 0.883 230 R HN 0.548 nan 8.270 nan 0.000 0.444 231 R N -0.395 120.164 120.500 0.098 0.000 2.707 231 R HA 0.444 4.785 4.340 0.001 0.000 0.272 231 R C -1.086 175.288 176.300 0.123 0.000 1.011 231 R CA -0.471 55.707 56.100 0.130 0.000 0.893 231 R CB 2.471 32.884 30.300 0.189 0.000 1.233 231 R HN -0.017 nan 8.270 nan 0.000 0.464 232 M N 3.245 122.913 119.600 0.114 0.000 2.311 232 M HA 0.412 4.892 4.480 0.001 0.000 0.325 232 M C -1.498 174.883 176.300 0.135 0.000 1.061 232 M CA -0.818 54.515 55.300 0.055 0.000 0.957 232 M CB 1.742 34.359 32.600 0.028 0.000 1.646 232 M HN 0.581 nan 8.290 nan 0.000 0.434 233 Y N 0.875 121.204 120.300 0.048 0.000 2.504 233 Y HA 0.705 5.259 4.550 0.006 0.000 0.344 233 Y C -1.117 174.816 175.900 0.055 0.000 1.023 233 Y CA -1.342 56.783 58.100 0.042 0.000 1.020 233 Y CB 0.761 39.234 38.460 0.022 0.000 1.282 233 Y HN 0.572 nan 8.280 nan 0.000 0.454 234 I N 5.515 126.191 120.570 0.176 0.000 2.556 234 I HA 0.218 4.389 4.170 0.001 0.000 0.284 234 I C -1.697 174.534 176.117 0.190 0.000 1.114 234 I CA -1.448 59.925 61.300 0.122 0.000 1.418 234 I CB 0.613 38.618 38.000 0.008 0.000 1.394 234 I HN 0.620 nan 8.210 nan 0.000 0.552 235 P HA 0.000 nan 4.420 nan 0.000 0.216 235 P CA 0.000 63.243 63.100 0.238 0.000 0.800 235 P CB 0.000 31.779 31.700 0.132 0.000 0.726