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 2vpx_1_C DATA FIRST_RESID 2 DATA SEQUENCE AEFYGLPNAQ EFWHWTNALH FVLVGLAGGV ALLAALLHLK GDAEARRYTL DATA SEQUENCE YALMLIALDL FILWAESPAR FRFTHIWLFL SFHPTSPIWW GAWGLGLGFL DATA SEQUENCE TGGLLYLGKG SQRALAWALL VFSLVALSYP GLALAVNLNR PLWNGLMAGL DATA SEQUENCE FPLTALVLAL GLAALLKSPW ALFPLRVLAG ASLLLALLYP LTLPPEARGH DATA SEQUENCE LLEEAGFWYG LFLLLGLGTF WQERLAPWAG LLAAAGLRAL LVLAGQWQGL DATA SEQUENCE G 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.334 177.584 -0.417 0.000 1.274 2 A CA 0.000 51.865 52.037 -0.286 0.000 0.836 2 A CB 0.000 18.899 19.000 -0.169 0.000 0.831 3 E N -0.301 119.585 120.200 -0.523 0.000 2.202 3 E HA 0.713 5.063 4.350 -0.000 0.000 0.272 3 E C -1.576 174.562 176.600 -0.770 0.000 0.951 3 E CA -0.197 55.914 56.400 -0.481 0.000 0.813 3 E CB 1.507 31.002 29.700 -0.341 0.000 1.151 3 E HN 0.335 nan 8.360 nan 0.000 0.398 4 F N 0.200 119.995 119.950 -0.259 0.000 2.620 4 F HA 0.433 4.960 4.527 -0.000 0.000 0.320 4 F C -0.572 174.964 175.800 -0.440 0.000 1.069 4 F CA -0.913 56.935 58.000 -0.253 0.000 0.953 4 F CB 1.380 40.316 39.000 -0.107 0.000 1.322 4 F HN 0.295 nan 8.300 nan 0.000 0.479 5 Y N 0.715 121.151 120.300 0.228 0.000 2.338 5 Y HA 0.536 5.086 4.550 -0.000 0.000 0.328 5 Y C 0.587 176.558 175.900 0.119 0.000 0.965 5 Y CA -0.290 57.885 58.100 0.124 0.000 1.208 5 Y CB 1.446 39.949 38.460 0.072 0.000 1.132 5 Y HN 0.898 nan 8.280 nan 0.000 0.469 6 G N 2.424 111.359 108.800 0.226 0.000 2.584 6 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.229 6 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.229 6 G C -1.634 173.286 174.900 0.033 0.000 1.320 6 G CA -0.678 44.487 45.100 0.109 0.000 0.891 6 G HN 0.629 nan 8.290 nan 0.000 0.573 7 L N 0.484 121.657 121.223 -0.084 0.000 2.582 7 L HA 0.537 4.877 4.340 -0.000 0.000 0.257 7 L C -2.114 174.577 176.870 -0.298 0.000 0.974 7 L CA -1.726 52.917 54.840 -0.328 0.000 0.851 7 L CB 2.522 44.423 42.059 -0.262 0.000 1.424 7 L HN 0.673 nan 8.230 nan 0.000 0.412 8 P HA 0.228 nan 4.420 nan 0.000 0.276 8 P C -1.175 176.013 177.300 -0.187 0.000 1.244 8 P CA -0.517 62.436 63.100 -0.245 0.000 0.801 8 P CB 0.494 32.044 31.700 -0.248 0.000 1.006 9 N N 0.326 118.957 118.700 -0.115 0.000 3.124 9 N HA 0.312 5.052 4.740 -0.000 0.000 0.284 9 N C 0.369 175.844 175.510 -0.059 0.000 1.209 9 N CA -0.219 52.785 53.050 -0.077 0.000 1.149 9 N CB -0.091 38.358 38.487 -0.064 0.000 1.434 9 N HN 0.381 nan 8.380 nan 0.000 0.529 10 A N 1.095 123.879 122.820 -0.060 0.000 2.545 10 A HA 0.013 4.333 4.320 -0.000 0.000 0.277 10 A C 0.627 178.231 177.584 0.032 0.000 1.301 10 A CA -0.439 51.587 52.037 -0.019 0.000 0.935 10 A CB 0.024 18.995 19.000 -0.047 0.000 1.093 10 A HN 0.458 nan 8.150 nan 0.000 0.519 11 Q N 0.391 120.217 119.800 0.043 0.000 2.256 11 Q HA 0.243 4.583 4.340 -0.000 0.000 0.232 11 Q C -0.228 175.819 176.000 0.079 0.000 0.965 11 Q CA -0.540 55.299 55.803 0.060 0.000 0.908 11 Q CB 0.587 29.361 28.738 0.061 0.000 1.209 11 Q HN 0.439 nan 8.270 nan 0.000 0.489 12 E N 1.237 121.446 120.200 0.016 0.000 2.585 12 E HA -0.079 4.271 4.350 -0.000 0.000 0.252 12 E C -0.383 176.098 176.600 -0.197 0.000 0.981 12 E CA 0.021 56.324 56.400 -0.161 0.000 0.943 12 E CB 0.118 29.781 29.700 -0.061 0.000 0.923 12 E HN 0.608 nan 8.360 nan 0.000 0.486 13 F N 3.285 123.069 119.950 -0.276 0.000 2.717 13 F HA 0.348 4.875 4.527 -0.000 0.000 0.295 13 F C 0.061 175.571 175.800 -0.484 0.000 1.117 13 F CA -0.941 56.831 58.000 -0.379 0.000 1.361 13 F CB 0.295 39.022 39.000 -0.456 0.000 1.112 13 F HN 0.184 nan 8.300 nan 0.000 0.594 14 W N 3.413 124.286 121.300 -0.711 0.000 2.424 14 W HA 0.381 5.041 4.660 -0.000 0.000 0.318 14 W C -0.085 176.116 176.519 -0.529 0.000 1.016 14 W CA -1.561 55.501 57.345 -0.473 0.000 1.268 14 W CB 0.147 29.490 29.460 -0.195 0.000 1.297 14 W HN -0.025 nan 8.180 nan 0.000 0.428 15 H N 2.082 121.236 119.070 0.140 0.000 2.437 15 H HA 0.064 4.620 4.556 -0.000 0.000 0.338 15 H C 1.658 177.002 175.328 0.027 0.000 1.495 15 H CA -0.169 55.909 56.048 0.050 0.000 1.453 15 H CB 0.375 30.112 29.762 -0.041 0.000 1.707 15 H HN 0.606 nan 8.280 nan 0.000 0.655 16 W N 0.097 121.522 121.300 0.208 0.000 2.350 16 W HA -0.173 4.487 4.660 -0.000 0.000 0.289 16 W C 1.067 177.662 176.519 0.127 0.000 1.215 16 W CA 1.330 58.746 57.345 0.119 0.000 1.236 16 W CB -1.547 27.959 29.460 0.077 0.000 1.130 16 W HN 0.312 nan 8.180 nan 0.000 0.541 17 T N 1.964 115.861 114.554 -1.095 0.000 2.652 17 T HA -0.271 4.079 4.350 -0.000 0.000 0.267 17 T C 1.563 176.043 174.700 -0.367 0.000 1.039 17 T CA 2.474 63.862 62.100 -1.187 0.000 1.153 17 T CB -0.414 67.833 68.868 -1.035 0.000 0.863 17 T HN 0.228 nan 8.240 nan 0.000 0.428 18 N N 0.117 118.724 118.700 -0.155 0.000 2.270 18 N HA 0.080 4.820 4.740 -0.000 0.000 0.181 18 N C 1.882 177.499 175.510 0.179 0.000 1.016 18 N CA 0.878 53.935 53.050 0.012 0.000 0.870 18 N CB -0.174 38.300 38.487 -0.021 0.000 0.979 18 N HN 0.352 nan 8.380 nan 0.000 0.431 19 A N 0.609 123.504 122.820 0.124 0.000 1.972 19 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 19 A C 2.082 179.784 177.584 0.197 0.000 1.169 19 A CA 0.813 52.942 52.037 0.154 0.000 0.635 19 A CB -0.656 18.422 19.000 0.128 0.000 0.810 19 A HN 0.401 nan 8.150 nan 0.000 0.446 20 L N -1.153 120.167 121.223 0.162 0.000 2.027 20 L HA -0.191 4.149 4.340 -0.000 0.000 0.206 20 L C 2.622 179.564 176.870 0.120 0.000 1.074 20 L CA 2.496 57.426 54.840 0.149 0.000 0.745 20 L CB -0.618 41.529 42.059 0.147 0.000 0.898 20 L HN 0.739 nan 8.230 nan 0.000 0.433 21 H N -0.658 118.434 119.070 0.037 0.000 2.353 21 H HA -0.273 4.283 4.556 -0.000 0.000 0.298 21 H C 1.914 177.228 175.328 -0.023 0.000 1.103 21 H CA 2.294 58.336 56.048 -0.010 0.000 1.293 21 H CB -0.406 29.315 29.762 -0.067 0.000 1.372 21 H HN 0.295 nan 8.280 nan 0.000 0.501 22 F N -0.342 119.490 119.950 -0.197 0.000 2.171 22 F HA -0.159 4.368 4.527 -0.000 0.000 0.300 22 F C 2.600 178.304 175.800 -0.159 0.000 1.090 22 F CA 1.312 59.187 58.000 -0.208 0.000 1.293 22 F CB -0.379 38.603 39.000 -0.030 0.000 1.013 22 F HN 0.093 nan 8.300 nan 0.000 0.486 23 V N -0.708 119.248 119.914 0.070 0.000 2.427 23 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 23 V C 2.218 178.272 176.094 -0.066 0.000 1.051 23 V CA 1.178 63.473 62.300 -0.009 0.000 1.048 23 V CB -0.530 31.294 31.823 0.001 0.000 0.666 23 V HN 0.177 nan 8.190 nan 0.000 0.456 24 L N -0.386 120.785 121.223 -0.086 0.000 2.027 24 L HA -0.072 4.268 4.340 -0.000 0.000 0.206 24 L C 2.445 179.236 176.870 -0.131 0.000 1.074 24 L CA 1.570 56.360 54.840 -0.084 0.000 0.745 24 L CB -0.808 41.230 42.059 -0.035 0.000 0.898 24 L HN 0.187 nan 8.230 nan 0.000 0.433 25 V N -0.343 119.396 119.914 -0.293 0.000 2.720 25 V HA -0.184 3.936 4.120 -0.000 0.000 0.256 25 V C 2.252 178.264 176.094 -0.136 0.000 1.082 25 V CA 1.718 63.872 62.300 -0.243 0.000 1.101 25 V CB -0.566 30.979 31.823 -0.464 0.000 0.693 25 V HN 0.557 nan 8.190 nan 0.000 0.479 26 G N -0.628 108.090 108.800 -0.136 0.000 2.414 26 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.215 26 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.215 26 G C 1.524 176.401 174.900 -0.039 0.000 1.188 26 G CA 1.006 46.060 45.100 -0.077 0.000 0.783 26 G HN 0.476 nan 8.290 nan 0.000 0.537 27 L N 0.620 121.819 121.223 -0.041 0.000 1.989 27 L HA -0.120 4.220 4.340 -0.000 0.000 0.211 27 L C 3.458 180.343 176.870 0.025 0.000 1.071 27 L CA 1.298 56.130 54.840 -0.013 0.000 0.749 27 L CB -0.432 41.613 42.059 -0.023 0.000 0.890 27 L HN 0.332 nan 8.230 nan 0.000 0.431 28 A N 0.039 122.872 122.820 0.023 0.000 1.849 28 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 28 A C 2.329 179.967 177.584 0.090 0.000 1.202 28 A CA 2.157 54.234 52.037 0.066 0.000 0.629 28 A CB -1.595 17.443 19.000 0.063 0.000 0.834 28 A HN 0.496 nan 8.150 nan 0.000 0.447 29 G N -1.096 107.750 108.800 0.076 0.000 2.440 29 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.218 29 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.218 29 G C 1.509 176.464 174.900 0.091 0.000 1.154 29 G CA 1.386 46.546 45.100 0.099 0.000 0.767 29 G HN 0.860 nan 8.290 nan 0.000 0.552 30 G N -0.234 108.606 108.800 0.067 0.000 2.448 30 G HA2 0.002 3.962 3.960 -0.000 0.000 0.218 30 G HA3 0.002 3.962 3.960 -0.000 0.000 0.218 30 G C 1.632 176.592 174.900 0.100 0.000 1.135 30 G CA 0.954 46.093 45.100 0.065 0.000 0.784 30 G HN 0.338 nan 8.290 nan 0.000 0.543 31 V N 1.023 121.015 119.914 0.130 0.000 2.591 31 V HA 0.050 4.170 4.120 -0.000 0.000 0.249 31 V C 3.132 179.348 176.094 0.203 0.000 1.053 31 V CA 1.536 63.964 62.300 0.214 0.000 1.068 31 V CB -0.094 31.874 31.823 0.242 0.000 0.689 31 V HN 0.423 nan 8.190 nan 0.000 0.462 32 A N -0.279 122.634 122.820 0.154 0.000 2.015 32 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 32 A C 2.083 179.726 177.584 0.099 0.000 1.163 32 A CA 1.621 53.740 52.037 0.137 0.000 0.646 32 A CB -0.351 18.735 19.000 0.142 0.000 0.806 32 A HN 0.464 nan 8.150 nan 0.000 0.448 33 L N -0.425 120.847 121.223 0.082 0.000 2.095 33 L HA 0.011 4.351 4.340 -0.000 0.000 0.204 33 L C 2.200 179.062 176.870 -0.013 0.000 1.080 33 L CA 1.370 56.231 54.840 0.035 0.000 0.759 33 L CB -0.340 41.740 42.059 0.036 0.000 0.914 33 L HN 0.363 nan 8.230 nan 0.000 0.439 34 L N -0.422 120.804 121.223 0.006 0.000 2.017 34 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 34 L C 2.711 179.498 176.870 -0.139 0.000 1.073 34 L CA 1.420 56.199 54.840 -0.102 0.000 0.745 34 L CB -1.127 40.911 42.059 -0.035 0.000 0.894 34 L HN 0.399 nan 8.230 nan 0.000 0.432 35 A N -0.011 122.836 122.820 0.045 0.000 1.940 35 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 35 A C 2.515 180.159 177.584 0.101 0.000 1.176 35 A CA 1.828 53.939 52.037 0.124 0.000 0.631 35 A CB -0.597 18.535 19.000 0.219 0.000 0.814 35 A HN 0.442 nan 8.150 nan 0.000 0.446 36 A N -0.243 122.586 122.820 0.014 0.000 1.855 36 A HA -0.004 4.316 4.320 -0.000 0.000 0.215 36 A C 2.119 179.608 177.584 -0.159 0.000 1.191 36 A CA 1.419 53.419 52.037 -0.061 0.000 0.613 36 A CB -0.623 18.329 19.000 -0.080 0.000 0.829 36 A HN 0.458 nan 8.150 nan 0.000 0.442 37 L N -0.648 120.456 121.223 -0.198 0.000 2.191 37 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 37 L C 2.447 179.131 176.870 -0.311 0.000 1.103 37 L CA 0.631 55.309 54.840 -0.271 0.000 0.769 37 L CB -0.422 41.485 42.059 -0.254 0.000 0.908 37 L HN 0.385 nan 8.230 nan 0.000 0.438 38 L N -1.431 119.605 121.223 -0.312 0.000 2.068 38 L HA -0.172 4.167 4.340 -0.000 0.000 0.204 38 L C 2.477 179.175 176.870 -0.285 0.000 1.076 38 L CA 0.982 55.598 54.840 -0.374 0.000 0.753 38 L CB -0.494 41.320 42.059 -0.408 0.000 0.910 38 L HN 0.203 nan 8.230 nan 0.000 0.439 39 H N -0.870 118.074 119.070 -0.211 0.000 2.422 39 H HA -0.184 4.372 4.556 -0.000 0.000 0.298 39 H C 1.892 177.087 175.328 -0.221 0.000 1.098 39 H CA 1.339 57.280 56.048 -0.178 0.000 1.315 39 H CB 0.181 29.850 29.762 -0.155 0.000 1.382 39 H HN 0.051 nan 8.280 nan 0.000 0.523 40 L N 0.334 121.448 121.223 -0.182 0.000 2.217 40 L HA -0.076 4.264 4.340 -0.000 0.000 0.211 40 L C 1.618 178.358 176.870 -0.217 0.000 1.107 40 L CA 1.522 56.190 54.840 -0.287 0.000 0.783 40 L CB -0.161 41.597 42.059 -0.501 0.000 0.919 40 L HN 0.111 nan 8.230 nan 0.000 0.442 41 K N -0.469 119.800 120.400 -0.218 0.000 2.444 41 K HA 0.245 4.565 4.320 -0.000 0.000 0.193 41 K C 1.247 177.755 176.600 -0.152 0.000 1.024 41 K CA 0.712 56.891 56.287 -0.181 0.000 1.077 41 K CB -0.178 32.191 32.500 -0.218 0.000 0.833 41 K HN 0.306 nan 8.250 nan 0.000 0.517 42 G N 2.647 111.352 108.800 -0.158 0.000 2.168 42 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.257 42 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.257 42 G C -0.086 174.723 174.900 -0.152 0.000 0.997 42 G CA 0.536 45.556 45.100 -0.134 0.000 0.708 42 G HN 0.446 nan 8.290 nan 0.000 0.520 43 D N 0.059 120.341 120.400 -0.196 0.000 2.372 43 D HA 0.474 5.114 4.640 -0.000 0.000 0.243 43 D C 1.672 177.872 176.300 -0.168 0.000 1.121 43 D CA 0.340 54.233 54.000 -0.178 0.000 0.898 43 D CB 1.057 41.712 40.800 -0.243 0.000 1.202 43 D HN 0.342 nan 8.370 nan 0.000 0.428 44 A N 4.153 126.916 122.820 -0.096 0.000 2.019 44 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 44 A C 1.701 179.254 177.584 -0.051 0.000 1.164 44 A CA 1.141 53.135 52.037 -0.072 0.000 0.644 44 A CB -0.299 18.684 19.000 -0.028 0.000 0.805 44 A HN 0.759 nan 8.150 nan 0.000 0.449 45 E N -0.051 120.152 120.200 0.005 0.000 2.511 45 E HA 0.058 4.408 4.350 -0.000 0.000 0.196 45 E C 1.910 178.570 176.600 0.101 0.000 1.066 45 E CA 0.428 56.907 56.400 0.131 0.000 0.871 45 E CB -0.200 29.702 29.700 0.337 0.000 0.863 45 E HN 0.645 nan 8.360 nan 0.000 0.520 46 A N 1.638 124.377 122.820 -0.134 0.000 2.070 46 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 46 A C 2.080 179.575 177.584 -0.149 0.000 1.159 46 A CA 0.899 52.760 52.037 -0.294 0.000 0.656 46 A CB -0.154 18.334 19.000 -0.853 0.000 0.800 46 A HN 0.036 nan 8.150 nan 0.000 0.453 47 R N -0.170 120.276 120.500 -0.090 0.000 2.075 47 R HA -0.078 4.262 4.340 -0.000 0.000 0.226 47 R C 2.323 178.683 176.300 0.100 0.000 1.114 47 R CA 1.548 57.677 56.100 0.049 0.000 0.972 47 R CB -0.383 29.904 30.300 -0.022 0.000 0.869 47 R HN 0.831 nan 8.270 nan 0.000 0.437 48 R N -1.334 119.124 120.500 -0.071 0.000 2.200 48 R HA 0.007 4.346 4.340 -0.000 0.000 0.208 48 R C 1.501 177.344 176.300 -0.761 0.000 1.033 48 R CA 0.812 56.673 56.100 -0.397 0.000 1.000 48 R CB -0.497 29.519 30.300 -0.474 0.000 0.906 48 R HN 0.140 nan 8.270 nan 0.000 0.462 49 Y N 2.202 122.324 120.300 -0.296 0.000 2.373 49 Y HA -0.040 4.510 4.550 -0.000 0.000 0.293 49 Y C 2.279 178.154 175.900 -0.040 0.000 1.129 49 Y CA 1.842 59.870 58.100 -0.120 0.000 1.226 49 Y CB 0.194 38.699 38.460 0.075 0.000 1.000 49 Y HN 0.082 nan 8.280 nan 0.000 0.549 50 T N 0.075 114.692 114.554 0.104 0.000 2.857 50 T HA -0.156 4.194 4.350 -0.000 0.000 0.266 50 T C 1.906 176.553 174.700 -0.089 0.000 1.048 50 T CA 1.080 63.237 62.100 0.096 0.000 1.139 50 T CB -0.511 68.496 68.868 0.231 0.000 0.874 50 T HN 0.179 nan 8.240 nan 0.000 0.455 51 L N 0.592 121.664 121.223 -0.252 0.000 2.012 51 L HA -0.071 4.268 4.340 -0.000 0.000 0.210 51 L C 2.071 178.864 176.870 -0.129 0.000 1.073 51 L CA 1.694 56.267 54.840 -0.444 0.000 0.748 51 L CB -0.851 40.909 42.059 -0.498 0.000 0.891 51 L HN 0.407 nan 8.230 nan 0.000 0.431 52 Y N -0.792 119.434 120.300 -0.123 0.000 2.181 52 Y HA -0.238 4.312 4.550 -0.000 0.000 0.288 52 Y C 2.529 178.422 175.900 -0.012 0.000 1.146 52 Y CA 0.382 58.434 58.100 -0.079 0.000 1.164 52 Y CB -0.509 37.886 38.460 -0.108 0.000 0.982 52 Y HN 0.367 nan 8.280 nan 0.000 0.515 53 A N 0.314 123.259 122.820 0.208 0.000 1.969 53 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 53 A C 2.159 179.823 177.584 0.133 0.000 1.169 53 A CA 1.172 53.308 52.037 0.165 0.000 0.635 53 A CB -0.889 18.206 19.000 0.158 0.000 0.810 53 A HN 0.465 nan 8.150 nan 0.000 0.445 54 L N -1.582 119.669 121.223 0.047 0.000 2.109 54 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 54 L C 2.798 179.801 176.870 0.223 0.000 1.086 54 L CA 1.231 56.084 54.840 0.022 0.000 0.760 54 L CB -0.450 41.411 42.059 -0.329 0.000 0.910 54 L HN 0.399 nan 8.230 nan 0.000 0.437 55 M N -0.505 119.166 119.600 0.119 0.000 2.132 55 M HA -0.185 4.295 4.480 -0.000 0.000 0.263 55 M C 2.208 178.576 176.300 0.113 0.000 1.065 55 M CA 1.726 57.094 55.300 0.113 0.000 1.122 55 M CB -0.175 32.468 32.600 0.071 0.000 1.365 55 M HN 0.193 nan 8.290 nan 0.000 0.411 56 L N -0.431 120.858 121.223 0.109 0.000 2.217 56 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 56 L C 2.209 179.146 176.870 0.111 0.000 1.107 56 L CA 0.682 55.574 54.840 0.087 0.000 0.783 56 L CB -0.411 41.690 42.059 0.070 0.000 0.919 56 L HN 0.321 nan 8.230 nan 0.000 0.442 57 I N -0.319 120.352 120.570 0.167 0.000 2.286 57 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 57 I C 2.754 178.909 176.117 0.065 0.000 1.104 57 I CA 1.028 62.427 61.300 0.164 0.000 1.397 57 I CB -0.425 37.770 38.000 0.324 0.000 1.072 57 I HN 0.204 nan 8.210 nan 0.000 0.417 58 A N 1.026 123.903 122.820 0.094 0.000 1.873 58 A HA -0.219 4.101 4.320 -0.000 0.000 0.215 58 A C 2.238 179.856 177.584 0.056 0.000 1.186 58 A CA 1.364 53.383 52.037 -0.031 0.000 0.616 58 A CB -0.836 18.199 19.000 0.058 0.000 0.823 58 A HN 0.371 nan 8.150 nan 0.000 0.442 59 L N 0.155 121.433 121.223 0.091 0.000 2.131 59 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 59 L C 1.779 178.764 176.870 0.192 0.000 1.092 59 L CA 2.778 57.702 54.840 0.140 0.000 0.759 59 L CB -0.607 41.509 42.059 0.095 0.000 0.903 59 L HN 0.446 nan 8.230 nan 0.000 0.435 60 D N -1.084 119.399 120.400 0.138 0.000 2.162 60 D HA -0.126 4.514 4.640 -0.000 0.000 0.203 60 D C 2.169 178.577 176.300 0.180 0.000 0.967 60 D CA 1.150 55.248 54.000 0.163 0.000 0.840 60 D CB -0.013 40.851 40.800 0.107 0.000 0.972 60 D HN 0.423 nan 8.370 nan 0.000 0.482 61 L N -0.426 120.859 121.223 0.104 0.000 2.141 61 L HA -0.064 4.276 4.340 -0.000 0.000 0.209 61 L C 2.237 179.176 176.870 0.114 0.000 1.094 61 L CA 0.586 55.460 54.840 0.056 0.000 0.763 61 L CB -0.468 41.547 42.059 -0.073 0.000 0.908 61 L HN 0.069 nan 8.230 nan 0.000 0.437 62 F N 1.499 121.464 119.950 0.025 0.000 2.134 62 F HA -0.214 4.313 4.527 -0.000 0.000 0.299 62 F C 2.244 178.160 175.800 0.194 0.000 1.097 62 F CA 1.785 59.850 58.000 0.109 0.000 1.264 62 F CB -0.090 38.950 39.000 0.065 0.000 1.001 62 F HN 0.052 nan 8.300 nan 0.000 0.479 63 I N -1.279 119.352 120.570 0.101 0.000 3.251 63 I HA -0.035 4.135 4.170 -0.000 0.000 0.277 63 I C 1.595 177.643 176.117 -0.116 0.000 1.268 63 I CA 0.973 62.230 61.300 -0.072 0.000 1.449 63 I CB -0.391 37.656 38.000 0.077 0.000 1.083 63 I HN 0.198 nan 8.210 nan 0.000 0.464 64 L N -0.392 120.798 121.223 -0.054 0.000 2.156 64 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 64 L C 2.237 179.031 176.870 -0.127 0.000 1.095 64 L CA 1.306 56.045 54.840 -0.168 0.000 0.770 64 L CB -0.299 41.671 42.059 -0.148 0.000 0.914 64 L HN 0.613 nan 8.230 nan 0.000 0.439 65 W N -0.170 120.934 121.300 -0.326 0.000 2.539 65 W HA 0.043 4.703 4.660 -0.000 0.000 0.281 65 W C 2.207 178.462 176.519 -0.440 0.000 1.220 65 W CA 0.826 57.915 57.345 -0.425 0.000 1.332 65 W CB -0.012 29.177 29.460 -0.453 0.000 1.095 65 W HN -0.007 nan 8.180 nan 0.000 0.571 66 A N 0.344 122.742 122.820 -0.704 0.000 2.209 66 A HA -0.124 4.196 4.320 -0.000 0.000 0.212 66 A C 1.818 178.988 177.584 -0.690 0.000 1.158 66 A CA 1.617 53.059 52.037 -0.991 0.000 0.742 66 A CB -0.725 17.763 19.000 -0.852 0.000 0.790 66 A HN 0.566 nan 8.150 nan 0.000 0.472 67 E N -0.360 119.531 120.200 -0.515 0.000 2.526 67 E HA 0.095 4.445 4.350 -0.000 0.000 0.208 67 E C 0.071 176.491 176.600 -0.300 0.000 0.997 67 E CA 0.162 56.345 56.400 -0.361 0.000 0.961 67 E CB 0.018 29.547 29.700 -0.286 0.000 1.030 67 E HN 0.299 nan 8.360 nan 0.000 0.483 68 S N 1.781 117.253 115.700 -0.380 0.000 2.499 68 S HA 0.225 4.695 4.470 -0.000 0.000 0.275 68 S C -1.799 172.632 174.600 -0.282 0.000 1.257 68 S CA -1.443 56.617 58.200 -0.233 0.000 1.050 68 S CB 1.356 64.508 63.200 -0.079 0.000 0.937 68 S HN -0.040 nan 8.310 nan 0.000 0.490 69 P HA 0.029 nan 4.420 nan 0.000 0.223 69 P C 0.320 177.519 177.300 -0.167 0.000 1.144 69 P CA 0.819 63.832 63.100 -0.146 0.000 0.783 69 P CB 0.100 31.765 31.700 -0.058 0.000 0.771 70 A N -0.132 122.603 122.820 -0.140 0.000 2.610 70 A HA 0.110 4.429 4.320 -0.000 0.000 0.286 70 A C 1.963 179.458 177.584 -0.147 0.000 1.306 70 A CA -0.418 51.557 52.037 -0.102 0.000 0.942 70 A CB -0.847 18.133 19.000 -0.033 0.000 1.112 70 A HN 0.086 nan 8.150 nan 0.000 0.527 71 R N -0.525 119.704 120.500 -0.452 0.000 2.120 71 R HA -0.079 4.261 4.340 -0.000 0.000 0.234 71 R C 0.418 176.298 176.300 -0.699 0.000 1.123 71 R CA 1.832 57.407 56.100 -0.875 0.000 0.975 71 R CB -0.399 28.936 30.300 -1.608 0.000 0.866 71 R HN 0.498 nan 8.270 nan 0.000 0.446 72 F N 0.060 119.735 119.950 -0.458 0.000 2.695 72 F HA 0.370 4.897 4.527 -0.000 0.000 0.303 72 F C 1.962 177.207 175.800 -0.925 0.000 1.091 72 F CA -0.641 56.886 58.000 -0.788 0.000 1.300 72 F CB 0.474 39.258 39.000 -0.360 0.000 1.071 72 F HN -0.154 nan 8.300 nan 0.000 0.578 73 R N 0.123 120.399 120.500 -0.373 0.000 2.297 73 R HA 0.063 4.403 4.340 -0.000 0.000 0.197 73 R C -0.071 176.242 176.300 0.023 0.000 0.943 73 R CA -0.007 56.011 56.100 -0.137 0.000 1.038 73 R CB -0.307 29.982 30.300 -0.019 0.000 0.957 73 R HN 0.222 nan 8.270 nan 0.000 0.484 74 F N 1.149 121.280 119.950 0.301 0.000 2.635 74 F HA -0.250 4.277 4.527 -0.000 0.000 0.228 74 F C 0.800 176.778 175.800 0.296 0.000 1.029 74 F CA 0.564 58.751 58.000 0.313 0.000 0.907 74 F CB -1.514 37.629 39.000 0.237 0.000 0.893 74 F HN 0.106 nan 8.300 nan 0.000 0.845 75 T N -4.885 109.955 114.554 0.478 0.000 3.010 75 T HA 0.069 4.419 4.350 -0.000 0.000 0.257 75 T C 1.029 175.964 174.700 0.391 0.000 1.020 75 T CA 0.225 62.593 62.100 0.446 0.000 0.938 75 T CB -0.065 68.976 68.868 0.288 0.000 1.049 75 T HN 0.500 nan 8.240 nan 0.000 0.522 76 H N 1.117 120.349 119.070 0.271 0.000 2.543 76 H HA 0.250 4.806 4.556 -0.000 0.000 0.286 76 H C 1.927 177.331 175.328 0.126 0.000 1.037 76 H CA 0.539 56.695 56.048 0.180 0.000 1.250 76 H CB -0.365 29.509 29.762 0.186 0.000 1.373 76 H HN 0.359 nan 8.280 nan 0.000 0.580 77 I N -0.419 120.272 120.570 0.202 0.000 2.423 77 I HA -0.286 3.884 4.170 -0.000 0.000 0.254 77 I C 1.135 177.191 176.117 -0.101 0.000 1.151 77 I CA 1.221 62.526 61.300 0.008 0.000 1.421 77 I CB -0.049 37.833 38.000 -0.198 0.000 1.079 77 I HN 0.306 nan 8.210 nan 0.000 0.431 78 W N -0.200 121.175 121.300 0.126 0.000 2.525 78 W HA -0.141 4.519 4.660 -0.000 0.000 0.259 78 W C 2.090 178.676 176.519 0.111 0.000 1.253 78 W CA -0.213 57.205 57.345 0.122 0.000 1.262 78 W CB -0.307 29.206 29.460 0.087 0.000 1.122 78 W HN 0.156 nan 8.180 nan 0.000 0.607 79 L N -1.080 120.201 121.223 0.098 0.000 2.131 79 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 79 L C 1.392 178.082 176.870 -0.300 0.000 1.092 79 L CA 1.779 56.491 54.840 -0.213 0.000 0.759 79 L CB -0.868 40.744 42.059 -0.745 0.000 0.903 79 L HN 0.009 nan 8.230 nan 0.000 0.435 80 F N -2.469 117.571 119.950 0.149 0.000 2.678 80 F HA 0.191 4.718 4.527 -0.000 0.000 0.305 80 F C 1.317 177.324 175.800 0.344 0.000 1.090 80 F CA -0.116 57.941 58.000 0.094 0.000 1.272 80 F CB 0.211 39.013 39.000 -0.330 0.000 1.060 80 F HN -0.144 nan 8.300 nan 0.000 0.576 81 L N -0.342 121.141 121.223 0.433 0.000 2.910 81 L HA 0.275 4.615 4.340 -0.000 0.000 0.252 81 L C 0.431 177.563 176.870 0.438 0.000 1.195 81 L CA -0.180 54.865 54.840 0.342 0.000 1.003 81 L CB -0.084 42.016 42.059 0.069 0.000 1.328 81 L HN 0.054 nan 8.230 nan 0.000 0.540 82 S N -1.436 114.595 115.700 0.553 0.000 2.671 82 S HA 0.620 5.090 4.470 -0.000 0.000 0.277 82 S C -1.263 173.534 174.600 0.329 0.000 1.165 82 S CA -0.634 57.797 58.200 0.386 0.000 0.822 82 S CB 2.244 65.697 63.200 0.422 0.000 1.150 82 S HN -0.024 nan 8.310 nan 0.000 0.479 83 F N 2.271 121.946 119.950 -0.457 0.000 2.434 83 F HA 0.523 5.050 4.527 -0.000 0.000 0.355 83 F C -0.628 174.226 175.800 -1.577 0.000 1.115 83 F CA -0.610 56.871 58.000 -0.865 0.000 1.010 83 F CB 0.868 39.539 39.000 -0.548 0.000 1.234 83 F HN 0.744 nan 8.300 nan 0.000 0.439 84 H N 7.626 125.304 119.070 -2.320 0.000 2.348 84 H HA 0.240 4.796 4.556 -0.000 0.000 0.232 84 H C -2.016 172.291 175.328 -1.703 0.000 1.419 84 H CA -1.590 53.498 56.048 -1.600 0.000 1.416 84 H CB 0.783 30.001 29.762 -0.906 0.000 1.510 84 H HN 0.420 nan 8.280 nan 0.000 0.507 85 P HA -0.122 nan 4.420 nan 0.000 0.222 85 P C 1.346 178.699 177.300 0.088 0.000 1.147 85 P CA 1.092 63.727 63.100 -0.775 0.000 0.790 85 P CB -0.001 31.266 31.700 -0.722 0.000 0.780 86 T N -4.314 110.189 114.554 -0.084 0.000 3.113 86 T HA 0.060 4.410 4.350 -0.000 0.000 0.256 86 T C 0.985 175.777 174.700 0.153 0.000 1.131 86 T CA -0.039 62.101 62.100 0.068 0.000 1.074 86 T CB -0.528 68.338 68.868 -0.005 0.000 0.944 86 T HN 0.082 nan 8.240 nan 0.000 0.516 87 S N 2.082 117.895 115.700 0.188 0.000 2.448 87 S HA 0.411 4.881 4.470 -0.000 0.000 0.320 87 S C -1.853 173.025 174.600 0.463 0.000 1.071 87 S CA -1.698 56.656 58.200 0.258 0.000 1.113 87 S CB 1.393 64.691 63.200 0.163 0.000 0.972 87 S HN -0.110 nan 8.310 nan 0.000 0.465 88 P HA -0.136 nan 4.420 nan 0.000 0.216 88 P C 1.470 179.030 177.300 0.433 0.000 1.153 88 P CA 1.108 64.492 63.100 0.473 0.000 0.858 88 P CB 0.005 31.921 31.700 0.360 0.000 0.789 89 I N -2.819 117.942 120.570 0.319 0.000 2.493 89 I HA -0.176 3.994 4.170 -0.000 0.000 0.254 89 I C 2.290 178.423 176.117 0.027 0.000 1.160 89 I CA 1.122 62.498 61.300 0.126 0.000 1.445 89 I CB -1.179 36.913 38.000 0.153 0.000 1.086 89 I HN 0.099 nan 8.210 nan 0.000 0.433 90 W N 0.864 122.158 121.300 -0.010 0.000 2.407 90 W HA -0.175 4.485 4.660 -0.000 0.000 0.305 90 W C 2.318 178.809 176.519 -0.046 0.000 1.196 90 W CA 0.999 58.319 57.345 -0.041 0.000 1.311 90 W CB -0.594 28.826 29.460 -0.065 0.000 1.135 90 W HN 0.004 nan 8.180 nan 0.000 0.514 91 W N 0.591 122.039 121.300 0.247 0.000 2.335 91 W HA -0.112 4.548 4.660 -0.000 0.000 0.311 91 W C 2.707 179.086 176.519 -0.233 0.000 1.213 91 W CA 2.373 59.756 57.345 0.062 0.000 1.274 91 W CB -1.148 28.430 29.460 0.196 0.000 1.148 91 W HN 0.016 nan 8.180 nan 0.000 0.498 92 G N -0.137 108.417 108.800 -0.410 0.000 2.442 92 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 92 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 92 G C 1.602 176.153 174.900 -0.582 0.000 1.141 92 G CA 1.466 45.831 45.100 -1.225 0.000 0.763 92 G HN 0.358 nan 8.290 nan 0.000 0.554 93 A N -0.158 122.382 122.820 -0.467 0.000 1.930 93 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 93 A C 2.156 179.566 177.584 -0.290 0.000 1.175 93 A CA 1.340 53.151 52.037 -0.377 0.000 0.627 93 A CB -0.536 18.096 19.000 -0.613 0.000 0.815 93 A HN 0.489 nan 8.150 nan 0.000 0.443 94 W N -0.222 120.795 121.300 -0.473 0.000 2.453 94 W HA 0.145 4.805 4.660 -0.000 0.000 0.289 94 W C 2.495 178.821 176.519 -0.321 0.000 1.215 94 W CA 0.936 58.041 57.345 -0.400 0.000 1.297 94 W CB -0.539 28.446 29.460 -0.792 0.000 1.113 94 W HN 0.352 nan 8.180 nan 0.000 0.551 95 G N 0.565 109.373 108.800 0.012 0.000 2.433 95 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 95 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 95 G C 1.437 176.360 174.900 0.039 0.000 1.186 95 G CA 1.185 46.337 45.100 0.086 0.000 0.779 95 G HN 0.142 nan 8.290 nan 0.000 0.543 96 L N 0.891 122.134 121.223 0.034 0.000 1.976 96 L HA 0.044 4.384 4.340 -0.000 0.000 0.209 96 L C 3.238 180.112 176.870 0.006 0.000 1.071 96 L CA 1.278 56.154 54.840 0.059 0.000 0.746 96 L CB -1.073 41.012 42.059 0.044 0.000 0.890 96 L HN 0.297 nan 8.230 nan 0.000 0.432 97 G N 0.483 109.221 108.800 -0.104 0.000 2.586 97 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 97 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 97 G C 1.586 176.373 174.900 -0.188 0.000 1.216 97 G CA 1.285 46.251 45.100 -0.223 0.000 0.786 97 G HN 0.264 nan 8.290 nan 0.000 0.583 98 L N 0.913 121.954 121.223 -0.303 0.000 2.141 98 L HA 0.057 4.397 4.340 -0.000 0.000 0.209 98 L C 3.123 179.880 176.870 -0.188 0.000 1.094 98 L CA 0.823 55.433 54.840 -0.382 0.000 0.763 98 L CB -0.536 40.978 42.059 -0.909 0.000 0.908 98 L HN 0.342 nan 8.230 nan 0.000 0.437 99 G N -0.829 107.928 108.800 -0.071 0.000 2.471 99 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.219 99 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.219 99 G C 1.437 176.447 174.900 0.184 0.000 1.125 99 G CA 0.197 45.435 45.100 0.231 0.000 0.775 99 G HN 0.352 nan 8.290 nan 0.000 0.548 100 F N 0.506 120.442 119.950 -0.024 0.000 2.473 100 F HA 0.312 4.839 4.527 -0.000 0.000 0.294 100 F C 2.195 177.968 175.800 -0.045 0.000 1.103 100 F CA 0.380 58.358 58.000 -0.036 0.000 1.442 100 F CB 0.181 39.136 39.000 -0.075 0.000 1.097 100 F HN 0.009 nan 8.300 nan 0.000 0.547 101 L N -0.798 120.484 121.223 0.098 0.000 2.049 101 L HA -0.126 4.214 4.340 -0.000 0.000 0.203 101 L C 2.328 179.191 176.870 -0.011 0.000 1.074 101 L CA 1.517 56.366 54.840 0.015 0.000 0.749 101 L CB -1.352 40.713 42.059 0.010 0.000 0.907 101 L HN -0.012 nan 8.230 nan 0.000 0.439 102 T N 0.170 114.764 114.554 0.068 0.000 2.665 102 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 102 T C 1.701 176.400 174.700 -0.002 0.000 1.035 102 T CA 1.680 63.839 62.100 0.097 0.000 1.151 102 T CB -0.585 68.441 68.868 0.264 0.000 0.862 102 T HN 0.576 nan 8.240 nan 0.000 0.438 103 G N 0.063 108.843 108.800 -0.034 0.000 2.650 103 G HA2 0.175 4.135 3.960 -0.000 0.000 0.214 103 G HA3 0.175 4.135 3.960 -0.000 0.000 0.214 103 G C 1.528 176.336 174.900 -0.155 0.000 1.136 103 G CA 0.715 45.758 45.100 -0.096 0.000 0.789 103 G HN 0.567 nan 8.290 nan 0.000 0.536 104 G N 1.169 109.840 108.800 -0.214 0.000 2.395 104 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.214 104 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.214 104 G C 1.668 176.534 174.900 -0.057 0.000 1.177 104 G CA 0.612 45.580 45.100 -0.220 0.000 0.794 104 G HN 0.369 nan 8.290 nan 0.000 0.532 105 L N 0.320 121.514 121.223 -0.048 0.000 2.141 105 L HA 0.099 4.439 4.340 -0.000 0.000 0.209 105 L C 2.726 179.579 176.870 -0.028 0.000 1.094 105 L CA 0.539 55.364 54.840 -0.025 0.000 0.763 105 L CB -0.468 41.580 42.059 -0.018 0.000 0.908 105 L HN 0.109 nan 8.230 nan 0.000 0.437 106 L N -1.830 119.364 121.223 -0.049 0.000 2.046 106 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 106 L C 2.599 179.480 176.870 0.018 0.000 1.077 106 L CA 1.290 56.077 54.840 -0.088 0.000 0.747 106 L CB -0.516 41.390 42.059 -0.255 0.000 0.896 106 L HN 0.222 nan 8.230 nan 0.000 0.432 107 Y N -0.118 120.135 120.300 -0.078 0.000 2.293 107 Y HA -0.146 4.404 4.550 -0.000 0.000 0.291 107 Y C 1.818 177.689 175.900 -0.047 0.000 1.137 107 Y CA 1.085 59.152 58.100 -0.055 0.000 1.202 107 Y CB 0.224 38.626 38.460 -0.097 0.000 0.990 107 Y HN 0.029 nan 8.280 nan 0.000 0.537 108 L N -0.016 121.188 121.223 -0.033 0.000 2.685 108 L HA 0.315 4.655 4.340 -0.000 0.000 0.233 108 L C 1.249 178.075 176.870 -0.073 0.000 1.173 108 L CA 0.409 55.206 54.840 -0.071 0.000 0.961 108 L CB -0.695 41.356 42.059 -0.013 0.000 1.217 108 L HN 0.246 nan 8.230 nan 0.000 0.478 109 G N 1.238 109.993 108.800 -0.075 0.000 2.332 109 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.277 109 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.277 109 G C 0.215 175.093 174.900 -0.037 0.000 0.884 109 G CA 0.598 45.667 45.100 -0.053 0.000 1.251 109 G HN 0.444 nan 8.290 nan 0.000 0.462 110 K N -0.451 119.932 120.400 -0.028 0.000 2.508 110 K HA 0.660 4.980 4.320 -0.000 0.000 0.260 110 K C 0.731 177.324 176.600 -0.012 0.000 0.949 110 K CA -0.809 55.467 56.287 -0.019 0.000 0.834 110 K CB 1.947 34.436 32.500 -0.019 0.000 1.365 110 K HN 1.327 nan 8.250 nan 0.000 0.437 111 G N 1.104 109.901 108.800 -0.005 0.000 2.246 111 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.273 111 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.273 111 G C 0.075 174.980 174.900 0.007 0.000 1.055 111 G CA 1.044 46.147 45.100 0.003 0.000 0.851 111 G HN 1.017 nan 8.290 nan 0.000 0.500 112 S N -2.607 113.095 115.700 0.004 0.000 3.983 112 S HA -0.094 4.376 4.470 -0.000 0.000 0.638 112 S C 0.439 175.038 174.600 -0.001 0.000 1.663 112 S CA 1.505 59.710 58.200 0.008 0.000 1.838 112 S CB -0.823 62.389 63.200 0.021 0.000 0.328 112 S HN 1.352 nan 8.310 nan 0.000 1.784 113 Q N -0.907 118.896 119.800 0.006 0.000 1.752 113 Q HA 0.191 4.531 4.340 -0.000 0.000 0.169 113 Q C 1.019 177.015 176.000 -0.007 0.000 0.747 113 Q CA 0.289 56.086 55.803 -0.010 0.000 0.814 113 Q CB 0.512 29.256 28.738 0.010 0.000 1.218 113 Q HN 0.574 nan 8.270 nan 0.000 0.384 114 R N 0.201 120.718 120.500 0.028 0.000 2.444 114 R HA 0.344 4.684 4.340 -0.000 0.000 0.201 114 R C 1.676 178.058 176.300 0.136 0.000 0.861 114 R CA 1.284 57.407 56.100 0.039 0.000 1.034 114 R CB -0.070 30.289 30.300 0.099 0.000 1.347 114 R HN 0.038 nan 8.270 nan 0.000 0.659 115 A N 0.657 123.565 122.820 0.147 0.000 2.172 115 A HA 0.079 4.399 4.320 -0.000 0.000 0.216 115 A C 1.638 179.284 177.584 0.104 0.000 1.154 115 A CA 0.867 53.000 52.037 0.160 0.000 0.701 115 A CB -0.343 18.714 19.000 0.094 0.000 0.789 115 A HN 0.316 nan 8.150 nan 0.000 0.465 116 L N -2.011 119.238 121.223 0.043 0.000 2.408 116 L HA 0.114 4.454 4.340 -0.000 0.000 0.215 116 L C 2.756 179.591 176.870 -0.059 0.000 1.081 116 L CA 0.750 55.589 54.840 -0.001 0.000 0.840 116 L CB -0.210 41.825 42.059 -0.039 0.000 1.002 116 L HN 0.360 nan 8.230 nan 0.000 0.468 117 A N -0.773 121.985 122.820 -0.103 0.000 2.016 117 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 117 A C 1.809 179.278 177.584 -0.192 0.000 1.162 117 A CA 0.693 52.609 52.037 -0.200 0.000 0.662 117 A CB -0.561 18.296 19.000 -0.239 0.000 0.812 117 A HN 0.500 nan 8.150 nan 0.000 0.450 118 W N -0.443 120.806 121.300 -0.085 0.000 2.476 118 W HA 0.124 4.784 4.660 -0.000 0.000 0.281 118 W C 2.647 179.060 176.519 -0.177 0.000 1.230 118 W CA 0.799 58.084 57.345 -0.100 0.000 1.287 118 W CB 0.115 29.527 29.460 -0.081 0.000 1.108 118 W HN 0.364 nan 8.180 nan 0.000 0.567 119 A N 0.073 122.910 122.820 0.028 0.000 1.858 119 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 119 A C 1.861 179.228 177.584 -0.360 0.000 1.190 119 A CA 1.589 53.450 52.037 -0.294 0.000 0.617 119 A CB -1.142 17.779 19.000 -0.130 0.000 0.827 119 A HN 0.238 nan 8.150 nan 0.000 0.443 120 L N -0.651 120.523 121.223 -0.082 0.000 2.127 120 L HA -0.140 4.200 4.340 -0.000 0.000 0.211 120 L C 2.285 179.155 176.870 0.001 0.000 1.089 120 L CA 1.953 56.808 54.840 0.026 0.000 0.757 120 L CB -0.538 41.520 42.059 -0.001 0.000 0.899 120 L HN 0.447 nan 8.230 nan 0.000 0.434 121 L N -1.827 119.372 121.223 -0.040 0.000 2.046 121 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 121 L C 2.291 179.179 176.870 0.029 0.000 1.077 121 L CA 1.477 56.318 54.840 0.002 0.000 0.747 121 L CB -0.309 41.767 42.059 0.028 0.000 0.896 121 L HN 0.056 nan 8.230 nan 0.000 0.432 122 V N -0.701 119.178 119.914 -0.059 0.000 2.453 122 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 122 V C 2.140 178.262 176.094 0.048 0.000 1.048 122 V CA 1.955 64.218 62.300 -0.063 0.000 1.049 122 V CB -0.587 31.123 31.823 -0.188 0.000 0.672 122 V HN 0.417 nan 8.190 nan 0.000 0.457 123 F N 0.526 120.571 119.950 0.158 0.000 2.325 123 F HA -0.107 4.420 4.527 -0.000 0.000 0.299 123 F C 2.583 178.474 175.800 0.153 0.000 1.090 123 F CA 0.860 58.960 58.000 0.167 0.000 1.392 123 F CB -0.245 38.845 39.000 0.150 0.000 1.053 123 F HN 0.302 nan 8.300 nan 0.000 0.521 124 S N 0.025 115.893 115.700 0.280 0.000 2.527 124 S HA -0.004 4.466 4.470 -0.000 0.000 0.222 124 S C 1.623 176.326 174.600 0.173 0.000 0.985 124 S CA 0.347 58.671 58.200 0.206 0.000 0.921 124 S CB -0.469 62.817 63.200 0.143 0.000 0.772 124 S HN 0.420 nan 8.310 nan 0.000 0.529 125 L N 0.678 122.001 121.223 0.167 0.000 2.249 125 L HA 0.114 4.454 4.340 -0.000 0.000 0.207 125 L C 2.483 179.452 176.870 0.166 0.000 1.090 125 L CA 0.379 55.300 54.840 0.134 0.000 0.802 125 L CB -0.289 41.832 42.059 0.103 0.000 0.947 125 L HN 0.225 nan 8.230 nan 0.000 0.453 126 V N 0.267 120.327 119.914 0.243 0.000 2.261 126 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 126 V C 2.706 178.994 176.094 0.324 0.000 1.047 126 V CA 1.911 64.387 62.300 0.295 0.000 1.015 126 V CB -0.804 31.292 31.823 0.454 0.000 0.642 126 V HN 0.472 nan 8.190 nan 0.000 0.446 127 A N -0.864 122.147 122.820 0.319 0.000 2.070 127 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 127 A C 2.166 179.903 177.584 0.254 0.000 1.159 127 A CA 1.476 53.728 52.037 0.359 0.000 0.656 127 A CB -0.438 18.721 19.000 0.266 0.000 0.800 127 A HN 0.520 nan 8.150 nan 0.000 0.453 128 L N -1.218 120.105 121.223 0.166 0.000 2.341 128 L HA 0.005 4.345 4.340 -0.000 0.000 0.214 128 L C 2.392 179.302 176.870 0.065 0.000 1.115 128 L CA 0.858 55.749 54.840 0.085 0.000 0.820 128 L CB 0.096 42.202 42.059 0.079 0.000 0.944 128 L HN 0.290 nan 8.230 nan 0.000 0.452 129 S N -1.350 114.412 115.700 0.103 0.000 2.470 129 S HA -0.088 4.382 4.470 -0.000 0.000 0.222 129 S C 1.722 176.366 174.600 0.072 0.000 1.024 129 S CA 0.188 58.433 58.200 0.074 0.000 0.931 129 S CB -0.022 63.214 63.200 0.061 0.000 0.791 129 S HN 0.540 nan 8.310 nan 0.000 0.513 130 Y N 2.355 122.676 120.300 0.035 0.000 2.314 130 Y HA 0.130 4.680 4.550 -0.000 0.000 0.293 130 Y C -1.386 174.494 175.900 -0.033 0.000 1.129 130 Y CA 0.705 58.825 58.100 0.034 0.000 1.201 130 Y CB -1.842 36.688 38.460 0.117 0.000 0.999 130 Y HN 0.173 nan 8.280 nan 0.000 0.541 131 P HA -0.065 nan 4.420 nan 0.000 0.215 131 P C 1.990 179.023 177.300 -0.444 0.000 1.157 131 P CA 2.633 65.249 63.100 -0.807 0.000 0.863 131 P CB -0.401 30.881 31.700 -0.696 0.000 0.787 132 G N -0.352 108.265 108.800 -0.306 0.000 2.432 132 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.219 132 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.219 132 G C 1.436 176.202 174.900 -0.223 0.000 1.135 132 G CA 0.503 45.404 45.100 -0.332 0.000 0.767 132 G HN 0.226 nan 8.290 nan 0.000 0.550 133 L N 0.285 121.442 121.223 -0.110 0.000 2.341 133 L HA 0.143 4.483 4.340 -0.000 0.000 0.214 133 L C 3.221 180.094 176.870 0.004 0.000 1.115 133 L CA 0.560 55.386 54.840 -0.023 0.000 0.820 133 L CB -0.187 41.889 42.059 0.029 0.000 0.944 133 L HN 0.290 nan 8.230 nan 0.000 0.452 134 A N 0.217 123.021 122.820 -0.025 0.000 2.015 134 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 134 A C 2.180 179.771 177.584 0.012 0.000 1.163 134 A CA 1.132 53.213 52.037 0.075 0.000 0.646 134 A CB -0.270 18.768 19.000 0.064 0.000 0.806 134 A HN 0.331 nan 8.150 nan 0.000 0.448 135 L N -1.292 119.765 121.223 -0.277 0.000 2.062 135 L HA -0.009 4.331 4.340 -0.000 0.000 0.202 135 L C 3.008 179.837 176.870 -0.069 0.000 1.079 135 L CA 0.942 55.419 54.840 -0.605 0.000 0.755 135 L CB -0.905 40.407 42.059 -1.245 0.000 0.913 135 L HN 0.349 nan 8.230 nan 0.000 0.445 136 A N 0.442 123.232 122.820 -0.050 0.000 2.084 136 A HA -0.151 4.169 4.320 -0.000 0.000 0.221 136 A C 2.128 179.796 177.584 0.139 0.000 1.161 136 A CA 1.837 53.936 52.037 0.104 0.000 0.653 136 A CB -0.922 18.113 19.000 0.058 0.000 0.802 136 A HN 0.403 nan 8.150 nan 0.000 0.457 137 V N -2.505 117.484 119.914 0.125 0.000 3.217 137 V HA -0.031 4.089 4.120 -0.000 0.000 0.264 137 V C 0.400 176.580 176.094 0.142 0.000 1.135 137 V CA 1.028 63.401 62.300 0.121 0.000 1.142 137 V CB -1.311 30.580 31.823 0.113 0.000 0.754 137 V HN 0.546 nan 8.190 nan 0.000 0.484 138 N N 1.461 120.289 118.700 0.214 0.000 2.807 138 N HA 0.439 5.179 4.740 -0.000 0.000 0.259 138 N C 0.572 176.198 175.510 0.194 0.000 1.149 138 N CA -0.186 52.996 53.050 0.220 0.000 1.042 138 N CB 0.614 39.324 38.487 0.372 0.000 1.367 138 N HN 0.361 nan 8.380 nan 0.000 0.516 139 L N 0.903 122.196 121.223 0.117 0.000 2.633 139 L HA -0.106 4.233 4.340 -0.000 0.000 0.235 139 L C 1.434 178.326 176.870 0.037 0.000 1.163 139 L CA 0.780 55.672 54.840 0.087 0.000 0.859 139 L CB -0.597 41.498 42.059 0.061 0.000 0.973 139 L HN 0.626 nan 8.230 nan 0.000 0.451 140 N N -0.824 117.884 118.700 0.013 0.000 2.415 140 N HA -0.042 4.698 4.740 -0.000 0.000 0.176 140 N C 0.593 176.034 175.510 -0.115 0.000 1.042 140 N CA -0.038 52.974 53.050 -0.062 0.000 0.902 140 N CB 0.142 38.581 38.487 -0.080 0.000 0.986 140 N HN 0.072 nan 8.380 nan 0.000 0.447 141 R N 1.395 121.863 120.500 -0.053 0.000 2.235 141 R HA 0.171 4.511 4.340 -0.000 0.000 0.338 141 R C -1.902 174.373 176.300 -0.042 0.000 1.087 141 R CA -1.696 54.322 56.100 -0.137 0.000 0.948 141 R CB 0.701 30.880 30.300 -0.202 0.000 1.099 141 R HN 0.211 nan 8.270 nan 0.000 0.483 142 P HA -0.109 nan 4.420 nan 0.000 0.221 142 P C 1.041 178.458 177.300 0.194 0.000 1.145 142 P CA 1.046 64.188 63.100 0.069 0.000 0.795 142 P CB 0.266 32.000 31.700 0.057 0.000 0.775 143 L N -3.223 118.117 121.223 0.195 0.000 2.341 143 L HA 0.018 4.358 4.340 -0.000 0.000 0.214 143 L C 0.818 177.993 176.870 0.508 0.000 1.115 143 L CA 0.426 55.458 54.840 0.320 0.000 0.820 143 L CB -0.532 41.687 42.059 0.267 0.000 0.944 143 L HN 0.048 nan 8.230 nan 0.000 0.452 144 W N 3.179 124.631 121.300 0.254 0.000 1.496 144 W HA 0.159 4.819 4.660 -0.000 0.000 0.422 144 W C 0.883 177.504 176.519 0.171 0.000 0.638 144 W CA -1.459 55.999 57.345 0.188 0.000 2.105 144 W CB -1.481 28.066 29.460 0.145 0.000 1.639 144 W HN 0.315 nan 8.180 nan 0.000 0.304 145 N N -1.367 117.598 118.700 0.442 0.000 2.374 145 N HA 0.287 5.027 4.740 -0.000 0.000 0.284 145 N C 1.647 177.307 175.510 0.250 0.000 1.280 145 N CA -0.042 53.193 53.050 0.307 0.000 0.963 145 N CB 0.498 39.153 38.487 0.281 0.000 1.141 145 N HN 0.055 nan 8.380 nan 0.000 0.565 146 G N 0.105 109.020 108.800 0.192 0.000 2.503 146 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.221 146 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.221 146 G C 1.340 176.333 174.900 0.155 0.000 1.131 146 G CA 0.503 45.692 45.100 0.149 0.000 0.756 146 G HN 0.517 nan 8.290 nan 0.000 0.572 147 L N 0.089 121.434 121.223 0.203 0.000 2.261 147 L HA -0.078 4.262 4.340 -0.000 0.000 0.216 147 L C 2.807 179.776 176.870 0.165 0.000 1.114 147 L CA 0.534 55.491 54.840 0.196 0.000 0.777 147 L CB -0.188 42.042 42.059 0.286 0.000 0.910 147 L HN 0.231 nan 8.230 nan 0.000 0.440 148 M N -1.085 118.613 119.600 0.164 0.000 2.279 148 M HA -0.145 4.335 4.480 -0.000 0.000 0.264 148 M C 2.319 178.707 176.300 0.147 0.000 1.062 148 M CA 1.537 56.931 55.300 0.157 0.000 1.099 148 M CB -1.234 31.365 32.600 -0.003 0.000 1.394 148 M HN 0.259 nan 8.290 nan 0.000 0.426 149 A N -0.499 122.380 122.820 0.099 0.000 2.167 149 A HA 0.232 4.552 4.320 -0.000 0.000 0.214 149 A C 2.291 179.934 177.584 0.099 0.000 1.151 149 A CA 1.395 53.478 52.037 0.077 0.000 0.735 149 A CB -0.800 18.233 19.000 0.056 0.000 0.802 149 A HN 0.512 nan 8.150 nan 0.000 0.467 150 G N -0.839 108.031 108.800 0.117 0.000 2.641 150 G HA2 0.132 4.092 3.960 -0.000 0.000 0.207 150 G HA3 0.132 4.092 3.960 -0.000 0.000 0.207 150 G C 1.398 176.354 174.900 0.093 0.000 1.137 150 G CA 0.326 45.484 45.100 0.096 0.000 0.824 150 G HN 0.323 nan 8.290 nan 0.000 0.547 151 L N -0.323 120.971 121.223 0.119 0.000 2.093 151 L HA 0.082 4.422 4.340 -0.000 0.000 0.208 151 L C 2.574 179.431 176.870 -0.021 0.000 1.085 151 L CA 0.787 55.653 54.840 0.043 0.000 0.755 151 L CB -0.315 41.762 42.059 0.030 0.000 0.904 151 L HN 0.104 nan 8.230 nan 0.000 0.435 152 F N -0.080 119.847 119.950 -0.039 0.000 2.163 152 F HA -0.035 4.492 4.527 -0.000 0.000 0.297 152 F C -0.214 175.559 175.800 -0.045 0.000 1.094 152 F CA 0.881 58.853 58.000 -0.046 0.000 1.290 152 F CB -1.785 37.184 39.000 -0.051 0.000 1.017 152 F HN 0.045 nan 8.300 nan 0.000 0.483 153 P HA -0.127 nan 4.420 nan 0.000 0.215 153 P C 1.962 179.266 177.300 0.007 0.000 1.157 153 P CA 1.451 64.581 63.100 0.050 0.000 0.863 153 P CB -0.005 31.728 31.700 0.055 0.000 0.787 154 L N -1.752 119.469 121.223 -0.003 0.000 2.141 154 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 154 L C 2.341 179.174 176.870 -0.063 0.000 1.094 154 L CA 1.480 56.306 54.840 -0.023 0.000 0.763 154 L CB -1.112 40.939 42.059 -0.013 0.000 0.908 154 L HN 0.036 nan 8.230 nan 0.000 0.437 155 T N -0.939 113.546 114.554 -0.114 0.000 2.985 155 T HA 0.014 4.364 4.350 -0.000 0.000 0.266 155 T C 1.842 176.456 174.700 -0.144 0.000 1.076 155 T CA 0.966 62.962 62.100 -0.173 0.000 1.135 155 T CB 0.101 68.779 68.868 -0.317 0.000 0.890 155 T HN 0.408 nan 8.240 nan 0.000 0.480 156 A N 0.697 123.455 122.820 -0.104 0.000 2.014 156 A HA 0.139 4.459 4.320 -0.000 0.000 0.218 156 A C 2.122 179.681 177.584 -0.042 0.000 1.163 156 A CA 0.906 52.902 52.037 -0.067 0.000 0.652 156 A CB -0.478 18.503 19.000 -0.031 0.000 0.808 156 A HN 0.508 nan 8.150 nan 0.000 0.449 157 L N -0.831 120.370 121.223 -0.037 0.000 2.095 157 L HA -0.082 4.258 4.340 -0.000 0.000 0.204 157 L C 2.407 179.254 176.870 -0.038 0.000 1.080 157 L CA 0.670 55.498 54.840 -0.020 0.000 0.759 157 L CB -0.486 41.565 42.059 -0.014 0.000 0.914 157 L HN 0.203 nan 8.230 nan 0.000 0.439 158 V N 0.326 120.201 119.914 -0.065 0.000 2.490 158 V HA -0.278 3.842 4.120 -0.000 0.000 0.250 158 V C 2.394 178.430 176.094 -0.097 0.000 1.061 158 V CA 1.519 63.768 62.300 -0.085 0.000 1.064 158 V CB -0.418 31.344 31.823 -0.102 0.000 0.670 158 V HN 0.347 nan 8.190 nan 0.000 0.461 159 L N -0.044 121.123 121.223 -0.093 0.000 2.027 159 L HA -0.115 4.225 4.340 -0.000 0.000 0.206 159 L C 2.776 179.603 176.870 -0.071 0.000 1.074 159 L CA 1.597 56.380 54.840 -0.096 0.000 0.745 159 L CB -0.842 41.164 42.059 -0.088 0.000 0.898 159 L HN 0.357 nan 8.230 nan 0.000 0.433 160 A N 0.195 122.999 122.820 -0.026 0.000 1.877 160 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 160 A C 2.220 179.824 177.584 0.034 0.000 1.186 160 A CA 1.390 53.445 52.037 0.030 0.000 0.620 160 A CB -0.719 18.324 19.000 0.072 0.000 0.822 160 A HN 0.350 nan 8.150 nan 0.000 0.443 161 L N -0.714 120.512 121.223 0.006 0.000 2.141 161 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 161 L C 2.739 179.549 176.870 -0.101 0.000 1.094 161 L CA 0.817 55.649 54.840 -0.014 0.000 0.763 161 L CB -0.594 41.459 42.059 -0.010 0.000 0.908 161 L HN 0.499 nan 8.230 nan 0.000 0.437 162 G N -0.198 108.524 108.800 -0.130 0.000 2.408 162 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 162 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 162 G C 1.573 176.313 174.900 -0.267 0.000 1.150 162 G CA 0.191 45.164 45.100 -0.211 0.000 0.776 162 G HN 0.203 nan 8.290 nan 0.000 0.542 163 L N 0.669 121.772 121.223 -0.201 0.000 2.044 163 L HA 0.070 4.410 4.340 -0.000 0.000 0.205 163 L C 3.135 179.917 176.870 -0.147 0.000 1.075 163 L CA 1.757 56.471 54.840 -0.209 0.000 0.747 163 L CB -0.718 41.259 42.059 -0.136 0.000 0.903 163 L HN 0.314 nan 8.230 nan 0.000 0.435 164 A N 0.061 122.862 122.820 -0.032 0.000 1.948 164 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 164 A C 2.357 179.827 177.584 -0.190 0.000 1.177 164 A CA 1.903 53.956 52.037 0.026 0.000 0.636 164 A CB -0.747 18.238 19.000 -0.026 0.000 0.815 164 A HN 0.579 nan 8.150 nan 0.000 0.449 165 A N -0.886 121.789 122.820 -0.242 0.000 2.067 165 A HA 0.187 4.507 4.320 -0.000 0.000 0.217 165 A C 2.064 179.510 177.584 -0.230 0.000 1.156 165 A CA 1.068 52.950 52.037 -0.258 0.000 0.683 165 A CB -0.388 18.473 19.000 -0.232 0.000 0.808 165 A HN 0.466 nan 8.150 nan 0.000 0.455 166 L N -0.652 120.414 121.223 -0.262 0.000 2.179 166 L HA 0.005 4.345 4.340 -0.000 0.000 0.208 166 L C 1.671 178.447 176.870 -0.158 0.000 1.096 166 L CA 0.574 55.258 54.840 -0.261 0.000 0.779 166 L CB -0.293 41.514 42.059 -0.419 0.000 0.922 166 L HN 0.330 nan 8.230 nan 0.000 0.443 167 L N -0.072 121.065 121.223 -0.143 0.000 2.675 167 L HA -0.018 4.322 4.340 -0.000 0.000 0.239 167 L C 0.584 177.414 176.870 -0.066 0.000 1.151 167 L CA 0.025 54.816 54.840 -0.082 0.000 0.905 167 L CB -0.334 41.692 42.059 -0.056 0.000 1.057 167 L HN 0.233 nan 8.230 nan 0.000 0.435 168 K N -0.977 119.357 120.400 -0.111 0.000 3.209 168 K HA -0.142 4.178 4.320 -0.000 0.000 0.289 168 K C 0.189 176.689 176.600 -0.167 0.000 1.191 168 K CA 0.401 56.617 56.287 -0.120 0.000 0.851 168 K CB -2.203 30.258 32.500 -0.066 0.000 1.242 168 K HN 0.285 nan 8.250 nan 0.000 0.480 169 S N 1.640 117.178 115.700 -0.269 0.000 2.516 169 S HA 0.158 4.628 4.470 -0.000 0.000 0.282 169 S C -1.041 173.161 174.600 -0.663 0.000 1.286 169 S CA -1.066 56.829 58.200 -0.509 0.000 1.066 169 S CB 1.162 63.818 63.200 -0.908 0.000 0.884 169 S HN 0.053 nan 8.310 nan 0.000 0.491 170 P HA -0.054 nan 4.420 nan 0.000 0.217 170 P C 0.194 177.374 177.300 -0.200 0.000 1.150 170 P CA 0.718 63.676 63.100 -0.237 0.000 0.832 170 P CB 0.005 31.675 31.700 -0.051 0.000 0.787 171 W N -0.778 120.532 121.300 0.017 0.000 2.357 171 W HA 0.662 5.322 4.660 -0.000 0.000 0.317 171 W C -0.058 176.465 176.519 0.008 0.000 1.101 171 W CA -0.461 56.897 57.345 0.022 0.000 1.380 171 W CB 0.135 29.589 29.460 -0.010 0.000 1.266 171 W HN 0.076 nan 8.180 nan 0.000 0.419 172 A N 2.731 125.597 122.820 0.077 0.000 2.973 172 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 172 A C 0.900 178.465 177.584 -0.032 0.000 2.234 172 A CA 0.241 52.272 52.037 -0.009 0.000 1.408 172 A CB -1.133 17.607 19.000 -0.435 0.000 0.698 172 A HN 0.528 nan 8.150 nan 0.000 0.460 173 L N -0.045 121.149 121.223 -0.048 0.000 2.456 173 L HA 0.228 4.568 4.340 -0.000 0.000 0.224 173 L C 1.678 178.617 176.870 0.116 0.000 1.148 173 L CA 2.590 57.426 54.840 -0.006 0.000 0.825 173 L CB -0.467 41.580 42.059 -0.019 0.000 0.937 173 L HN 0.623 nan 8.230 nan 0.000 0.450 174 F N 1.197 121.160 119.950 0.022 0.000 2.274 174 F HA 0.237 4.764 4.527 -0.000 0.000 0.288 174 F C -0.812 175.030 175.800 0.070 0.000 1.069 174 F CA -0.213 57.821 58.000 0.056 0.000 1.343 174 F CB -1.634 37.401 39.000 0.058 0.000 1.089 174 F HN 0.053 nan 8.300 nan 0.000 0.517 175 P HA -0.175 nan 4.420 nan 0.000 0.218 175 P C 2.112 179.316 177.300 -0.159 0.000 1.149 175 P CA 1.305 64.249 63.100 -0.260 0.000 0.817 175 P CB -0.269 31.410 31.700 -0.035 0.000 0.785 176 L N 0.129 121.303 121.223 -0.080 0.000 2.083 176 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 176 L C 2.485 179.320 176.870 -0.059 0.000 1.083 176 L CA 1.818 56.614 54.840 -0.073 0.000 0.752 176 L CB -0.761 41.246 42.059 -0.086 0.000 0.899 176 L HN -0.220 nan 8.230 nan 0.000 0.433 177 R N -1.346 119.144 120.500 -0.016 0.000 2.119 177 R HA -0.012 4.328 4.340 -0.000 0.000 0.222 177 R C 2.093 178.520 176.300 0.212 0.000 1.088 177 R CA 1.164 57.371 56.100 0.178 0.000 0.984 177 R CB -0.384 30.108 30.300 0.320 0.000 0.884 177 R HN 0.308 nan 8.270 nan 0.000 0.447 178 V N 1.625 121.492 119.914 -0.079 0.000 2.270 178 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 178 V C 2.280 178.357 176.094 -0.029 0.000 1.043 178 V CA 1.616 63.844 62.300 -0.121 0.000 1.014 178 V CB -0.392 31.228 31.823 -0.338 0.000 0.645 178 V HN 0.259 nan 8.190 nan 0.000 0.447 179 L N 0.078 121.269 121.223 -0.054 0.000 2.201 179 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 179 L C 2.554 179.429 176.870 0.009 0.000 1.105 179 L CA 1.281 56.106 54.840 -0.024 0.000 0.775 179 L CB -0.658 41.376 42.059 -0.041 0.000 0.913 179 L HN 0.377 nan 8.230 nan 0.000 0.440 180 A N -0.017 122.824 122.820 0.034 0.000 2.016 180 A HA 0.044 4.364 4.320 -0.000 0.000 0.217 180 A C 2.359 180.060 177.584 0.195 0.000 1.162 180 A CA 1.145 53.205 52.037 0.039 0.000 0.662 180 A CB -0.719 18.230 19.000 -0.084 0.000 0.812 180 A HN 0.395 nan 8.150 nan 0.000 0.450 181 G N -0.322 108.669 108.800 0.319 0.000 2.403 181 G HA2 0.094 4.054 3.960 -0.000 0.000 0.216 181 G HA3 0.094 4.054 3.960 -0.000 0.000 0.216 181 G C 1.699 176.671 174.900 0.121 0.000 1.154 181 G CA 1.203 46.476 45.100 0.288 0.000 0.784 181 G HN 0.664 nan 8.290 nan 0.000 0.538 182 A N 1.141 124.006 122.820 0.075 0.000 1.845 182 A HA -0.002 4.318 4.320 -0.000 0.000 0.215 182 A C 2.709 180.323 177.584 0.051 0.000 1.195 182 A CA 2.313 54.378 52.037 0.047 0.000 0.616 182 A CB -0.829 18.187 19.000 0.026 0.000 0.832 182 A HN 0.300 nan 8.150 nan 0.000 0.443 183 S N 0.125 115.846 115.700 0.036 0.000 2.370 183 S HA -0.148 4.322 4.470 -0.000 0.000 0.226 183 S C 1.778 176.397 174.600 0.032 0.000 1.033 183 S CA 1.722 59.929 58.200 0.012 0.000 1.011 183 S CB -0.526 62.656 63.200 -0.031 0.000 0.852 183 S HN 0.479 nan 8.310 nan 0.000 0.457 184 L N 0.400 121.661 121.223 0.063 0.000 2.217 184 L HA 0.015 4.355 4.340 -0.000 0.000 0.211 184 L C 2.282 179.209 176.870 0.095 0.000 1.107 184 L CA 0.349 55.235 54.840 0.077 0.000 0.783 184 L CB -0.409 41.723 42.059 0.122 0.000 0.919 184 L HN 0.240 nan 8.230 nan 0.000 0.442 185 L N -0.008 121.270 121.223 0.092 0.000 2.044 185 L HA -0.137 4.203 4.340 -0.000 0.000 0.205 185 L C 2.288 179.223 176.870 0.109 0.000 1.075 185 L CA 1.701 56.594 54.840 0.088 0.000 0.747 185 L CB -0.379 41.719 42.059 0.065 0.000 0.903 185 L HN 0.088 nan 8.230 nan 0.000 0.435 186 L N -0.572 120.713 121.223 0.104 0.000 2.131 186 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 186 L C 2.606 179.595 176.870 0.197 0.000 1.092 186 L CA 1.149 56.069 54.840 0.134 0.000 0.759 186 L CB -1.221 40.903 42.059 0.108 0.000 0.903 186 L HN 0.378 nan 8.230 nan 0.000 0.435 187 A N 0.193 123.114 122.820 0.168 0.000 1.969 187 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 187 A C 2.228 180.046 177.584 0.389 0.000 1.169 187 A CA 1.266 53.447 52.037 0.240 0.000 0.635 187 A CB -0.416 18.616 19.000 0.054 0.000 0.810 187 A HN 0.352 nan 8.150 nan 0.000 0.445 188 L N -0.657 120.723 121.223 0.262 0.000 2.179 188 L HA 0.105 4.445 4.340 -0.000 0.000 0.208 188 L C 1.792 178.797 176.870 0.226 0.000 1.096 188 L CA 1.423 56.416 54.840 0.254 0.000 0.779 188 L CB -0.213 41.941 42.059 0.159 0.000 0.922 188 L HN 0.351 nan 8.230 nan 0.000 0.443 189 L N -1.839 119.509 121.223 0.207 0.000 2.558 189 L HA -0.028 4.312 4.340 -0.000 0.000 0.225 189 L C 2.177 179.163 176.870 0.192 0.000 1.128 189 L CA 0.109 55.045 54.840 0.160 0.000 0.868 189 L CB -0.834 41.304 42.059 0.131 0.000 1.006 189 L HN 0.279 nan 8.230 nan 0.000 0.454 190 Y N 2.897 123.292 120.300 0.158 0.000 2.070 190 Y HA -0.154 4.396 4.550 -0.000 0.000 0.280 190 Y C -0.539 175.421 175.900 0.101 0.000 1.148 190 Y CA 1.508 59.704 58.100 0.159 0.000 1.125 190 Y CB -1.608 36.999 38.460 0.246 0.000 0.975 190 Y HN 0.101 nan 8.280 nan 0.000 0.492 191 P HA -0.165 nan 4.420 nan 0.000 0.219 191 P C 1.509 178.658 177.300 -0.251 0.000 1.146 191 P CA 1.798 64.620 63.100 -0.464 0.000 0.808 191 P CB -0.197 31.343 31.700 -0.267 0.000 0.779 192 L N -2.230 118.924 121.223 -0.115 0.000 2.552 192 L HA 0.008 4.348 4.340 -0.000 0.000 0.227 192 L C 1.854 178.701 176.870 -0.038 0.000 1.146 192 L CA 0.984 55.794 54.840 -0.050 0.000 0.858 192 L CB -0.820 41.239 42.059 0.001 0.000 0.969 192 L HN -0.020 nan 8.230 nan 0.000 0.451 193 T N -0.104 114.411 114.554 -0.066 0.000 3.086 193 T HA 0.283 4.633 4.350 -0.000 0.000 0.250 193 T C 0.633 175.312 174.700 -0.034 0.000 1.074 193 T CA -0.013 62.080 62.100 -0.011 0.000 0.988 193 T CB 0.035 68.940 68.868 0.062 0.000 0.988 193 T HN 0.001 nan 8.240 nan 0.000 0.530 194 L N 1.901 123.061 121.223 -0.104 0.000 2.352 194 L HA 0.497 4.837 4.340 -0.000 0.000 0.269 194 L C -2.251 174.610 176.870 -0.016 0.000 1.034 194 L CA -2.625 52.176 54.840 -0.066 0.000 0.806 194 L CB 0.986 42.960 42.059 -0.143 0.000 1.244 194 L HN -0.142 nan 8.230 nan 0.000 0.447 195 P HA 0.116 nan 4.420 nan 0.000 0.271 195 P C -2.115 175.206 177.300 0.034 0.000 1.218 195 P CA -1.110 62.010 63.100 0.033 0.000 0.780 195 P CB 0.193 31.924 31.700 0.051 0.000 0.901 196 P HA -0.268 nan 4.420 nan 0.000 0.217 196 P C 1.016 178.342 177.300 0.044 0.000 1.162 196 P CA 1.853 64.966 63.100 0.022 0.000 0.901 196 P CB -0.086 31.627 31.700 0.022 0.000 0.793 197 E N -0.548 119.704 120.200 0.086 0.000 2.153 197 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 197 E C 2.051 178.775 176.600 0.205 0.000 0.988 197 E CA 1.463 57.951 56.400 0.146 0.000 0.811 197 E CB -1.246 28.567 29.700 0.190 0.000 0.746 197 E HN 0.240 nan 8.360 nan 0.000 0.466 198 A N 1.198 124.155 122.820 0.230 0.000 1.898 198 A HA -0.072 4.248 4.320 -0.000 0.000 0.214 198 A C 2.195 179.804 177.584 0.041 0.000 1.183 198 A CA 1.341 53.533 52.037 0.259 0.000 0.622 198 A CB -0.398 18.790 19.000 0.313 0.000 0.824 198 A HN 0.169 nan 8.150 nan 0.000 0.444 199 R N -0.254 120.239 120.500 -0.011 0.000 2.081 199 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 199 R C 2.131 178.376 176.300 -0.092 0.000 1.131 199 R CA 1.681 57.723 56.100 -0.096 0.000 0.960 199 R CB -0.706 29.535 30.300 -0.098 0.000 0.856 199 R HN 0.400 nan 8.270 nan 0.000 0.436 200 G N -0.520 108.250 108.800 -0.050 0.000 2.422 200 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.218 200 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.218 200 G C 1.234 176.067 174.900 -0.112 0.000 1.140 200 G CA 1.114 46.178 45.100 -0.059 0.000 0.775 200 G HN 0.543 nan 8.290 nan 0.000 0.545 201 H N -0.055 118.849 119.070 -0.276 0.000 2.333 201 H HA 0.067 4.623 4.556 -0.000 0.000 0.302 201 H C 2.319 177.422 175.328 -0.376 0.000 1.075 201 H CA 1.317 57.068 56.048 -0.495 0.000 1.348 201 H CB -0.229 28.834 29.762 -1.167 0.000 1.393 201 H HN 0.186 nan 8.280 nan 0.000 0.509 202 L N 0.342 121.396 121.223 -0.282 0.000 2.012 202 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 202 L C 2.074 178.820 176.870 -0.205 0.000 1.073 202 L CA 1.668 56.377 54.840 -0.218 0.000 0.748 202 L CB -0.714 41.270 42.059 -0.125 0.000 0.891 202 L HN 0.418 nan 8.230 nan 0.000 0.431 203 L N -0.843 120.275 121.223 -0.176 0.000 2.017 203 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 203 L C 2.543 179.348 176.870 -0.108 0.000 1.073 203 L CA 1.699 56.471 54.840 -0.114 0.000 0.745 203 L CB -0.708 41.297 42.059 -0.090 0.000 0.894 203 L HN 0.362 nan 8.230 nan 0.000 0.432 204 E N -0.089 120.011 120.200 -0.167 0.000 2.017 204 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 204 E C 2.164 178.668 176.600 -0.161 0.000 0.997 204 E CA 1.358 57.664 56.400 -0.156 0.000 0.804 204 E CB 0.022 29.613 29.700 -0.182 0.000 0.757 204 E HN 0.398 nan 8.360 nan 0.000 0.448 205 E N 0.085 120.107 120.200 -0.297 0.000 2.150 205 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 205 E C 0.833 177.421 176.600 -0.020 0.000 0.985 205 E CA 0.916 57.182 56.400 -0.223 0.000 0.814 205 E CB 0.182 29.616 29.700 -0.444 0.000 0.752 205 E HN 0.210 nan 8.360 nan 0.000 0.466 206 A N -0.929 121.902 122.820 0.017 0.000 3.891 206 A HA 0.682 5.002 4.320 -0.000 0.000 0.173 206 A C 1.029 178.737 177.584 0.208 0.000 0.735 206 A CA 0.382 52.556 52.037 0.229 0.000 0.892 206 A CB 0.500 19.656 19.000 0.260 0.000 1.601 206 A HN 0.190 nan 8.150 nan 0.000 0.796 207 G N -0.945 108.024 108.800 0.281 0.000 3.675 207 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.275 207 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.275 207 G C 1.146 176.174 174.900 0.213 0.000 1.648 207 G CA 1.067 46.302 45.100 0.224 0.000 1.093 207 G HN 1.884 nan 8.290 nan 0.000 0.617 208 F N 1.278 121.199 119.950 -0.049 0.000 2.146 208 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 208 F C 2.222 177.792 175.800 -0.383 0.000 1.053 208 F CA 3.057 60.919 58.000 -0.230 0.000 1.285 208 F CB -0.287 38.497 39.000 -0.360 0.000 1.039 208 F HN 0.435 nan 8.300 nan 0.000 0.497 209 W N -1.869 119.429 121.300 -0.002 0.000 2.481 209 W HA -0.071 4.589 4.660 -0.000 0.000 0.293 209 W C 2.388 178.673 176.519 -0.390 0.000 1.201 209 W CA 0.961 58.134 57.345 -0.287 0.000 1.328 209 W CB -0.995 28.474 29.460 0.015 0.000 1.112 209 W HN 0.066 nan 8.180 nan 0.000 0.546 210 Y N 0.892 121.282 120.300 0.149 0.000 2.070 210 Y HA -0.208 4.342 4.550 -0.000 0.000 0.280 210 Y C 2.504 178.439 175.900 0.059 0.000 1.148 210 Y CA 2.454 60.681 58.100 0.211 0.000 1.125 210 Y CB -0.965 37.618 38.460 0.206 0.000 0.975 210 Y HN -0.084 nan 8.280 nan 0.000 0.492 211 G N -0.289 108.604 108.800 0.154 0.000 2.462 211 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.220 211 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.220 211 G C 1.559 176.351 174.900 -0.180 0.000 1.121 211 G CA 1.078 46.181 45.100 0.005 0.000 0.758 211 G HN 0.457 nan 8.290 nan 0.000 0.559 212 L N -1.036 119.948 121.223 -0.398 0.000 2.179 212 L HA 0.293 4.633 4.340 -0.000 0.000 0.208 212 L C 2.225 178.946 176.870 -0.248 0.000 1.096 212 L CA 1.211 55.765 54.840 -0.476 0.000 0.779 212 L CB -0.287 41.286 42.059 -0.810 0.000 0.922 212 L HN 0.113 nan 8.230 nan 0.000 0.443 213 F N -0.695 119.213 119.950 -0.070 0.000 2.325 213 F HA -0.032 4.495 4.527 -0.000 0.000 0.299 213 F C 2.135 177.867 175.800 -0.114 0.000 1.090 213 F CA 0.752 58.706 58.000 -0.076 0.000 1.392 213 F CB -0.737 38.203 39.000 -0.098 0.000 1.053 213 F HN 0.018 nan 8.300 nan 0.000 0.521 214 L N -0.909 120.330 121.223 0.027 0.000 2.005 214 L HA -0.201 4.139 4.340 -0.000 0.000 0.207 214 L C 2.462 179.353 176.870 0.036 0.000 1.072 214 L CA 1.079 55.923 54.840 0.007 0.000 0.744 214 L CB -0.772 41.297 42.059 0.015 0.000 0.895 214 L HN 0.113 nan 8.230 nan 0.000 0.433 215 L N -0.616 120.611 121.223 0.008 0.000 1.970 215 L HA -0.289 4.051 4.340 -0.000 0.000 0.212 215 L C 2.665 179.561 176.870 0.043 0.000 1.071 215 L CA 1.275 56.122 54.840 0.012 0.000 0.751 215 L CB -0.642 41.395 42.059 -0.037 0.000 0.889 215 L HN 0.308 nan 8.230 nan 0.000 0.432 216 L N 0.167 121.422 121.223 0.054 0.000 1.997 216 L HA -0.291 4.049 4.340 -0.000 0.000 0.227 216 L C 2.477 179.391 176.870 0.074 0.000 1.087 216 L CA 2.425 57.323 54.840 0.096 0.000 0.797 216 L CB -1.451 40.716 42.059 0.181 0.000 0.902 216 L HN 0.432 nan 8.230 nan 0.000 0.441 217 G N -0.819 108.013 108.800 0.052 0.000 2.516 217 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.221 217 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.221 217 G C 1.581 176.436 174.900 -0.074 0.000 1.107 217 G CA 0.390 45.477 45.100 -0.022 0.000 0.747 217 G HN 0.378 nan 8.290 nan 0.000 0.567 218 L N 0.481 121.728 121.223 0.039 0.000 2.376 218 L HA 0.072 4.412 4.340 -0.000 0.000 0.219 218 L C 2.793 179.721 176.870 0.097 0.000 1.133 218 L CA 0.548 55.472 54.840 0.139 0.000 0.816 218 L CB -0.199 41.965 42.059 0.174 0.000 0.933 218 L HN 0.317 nan 8.230 nan 0.000 0.449 219 G N -1.028 107.816 108.800 0.074 0.000 2.848 219 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.208 219 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.208 219 G C 1.327 176.242 174.900 0.024 0.000 1.152 219 G CA 0.440 45.656 45.100 0.194 0.000 0.789 219 G HN 0.246 nan 8.290 nan 0.000 0.531 220 T N 0.396 114.775 114.554 -0.291 0.000 3.085 220 T HA 0.067 4.417 4.350 -0.000 0.000 0.263 220 T C 1.279 175.683 174.700 -0.492 0.000 1.127 220 T CA 0.362 62.178 62.100 -0.474 0.000 1.103 220 T CB -0.229 68.208 68.868 -0.720 0.000 0.921 220 T HN 0.418 nan 8.240 nan 0.000 0.510 221 F N -1.270 118.766 119.950 0.142 0.000 2.653 221 F HA 0.365 4.892 4.527 -0.000 0.000 0.304 221 F C 1.288 177.225 175.800 0.228 0.000 1.092 221 F CA -1.284 56.803 58.000 0.146 0.000 1.279 221 F CB 0.328 39.392 39.000 0.108 0.000 1.044 221 F HN 0.166 nan 8.300 nan 0.000 0.564 222 W N 1.483 122.857 121.300 0.124 0.000 3.770 222 W HA 0.309 4.969 4.660 -0.000 0.000 0.434 222 W C 0.204 176.759 176.519 0.060 0.000 2.680 222 W CA 0.038 57.437 57.345 0.089 0.000 1.413 222 W CB -0.878 28.620 29.460 0.063 0.000 2.116 222 W HN -0.229 nan 8.180 nan 0.000 0.469 223 Q N 1.712 121.154 119.800 -0.597 0.000 2.286 223 Q HA 0.079 4.419 4.340 -0.000 0.000 0.257 223 Q C 1.108 176.929 176.000 -0.298 0.000 0.941 223 Q CA 0.403 55.782 55.803 -0.707 0.000 0.912 223 Q CB 1.629 29.598 28.738 -1.282 0.000 1.192 223 Q HN 0.311 nan 8.270 nan 0.000 0.410 224 E N 3.229 123.329 120.200 -0.167 0.000 2.068 224 E HA -0.290 4.060 4.350 -0.000 0.000 0.207 224 E C 0.839 177.379 176.600 -0.100 0.000 1.032 224 E CA 1.899 58.243 56.400 -0.094 0.000 0.839 224 E CB 0.110 29.770 29.700 -0.066 0.000 0.758 224 E HN 0.594 nan 8.360 nan 0.000 0.457 225 R N -0.256 120.180 120.500 -0.107 0.000 2.335 225 R HA 0.125 4.465 4.340 -0.000 0.000 0.223 225 R C 1.308 177.618 176.300 0.016 0.000 0.940 225 R CA 0.012 56.084 56.100 -0.047 0.000 1.086 225 R CB 0.039 30.330 30.300 -0.015 0.000 1.073 225 R HN 0.304 nan 8.270 nan 0.000 0.504 226 L N -1.455 119.728 121.223 -0.068 0.000 2.425 226 L HA 0.180 4.520 4.340 -0.000 0.000 0.215 226 L C 2.397 179.283 176.870 0.027 0.000 1.065 226 L CA 0.433 55.277 54.840 0.005 0.000 0.842 226 L CB -0.332 41.641 42.059 -0.144 0.000 1.033 226 L HN 0.082 nan 8.230 nan 0.000 0.474 227 A N 1.431 124.216 122.820 -0.057 0.000 1.915 227 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 227 A C -0.251 177.258 177.584 -0.125 0.000 1.198 227 A CA 2.197 54.181 52.037 -0.087 0.000 0.647 227 A CB -1.771 17.173 19.000 -0.093 0.000 0.825 227 A HN 0.261 nan 8.150 nan 0.000 0.456 228 P HA -0.053 nan 4.420 nan 0.000 0.221 228 P C 0.951 178.054 177.300 -0.329 0.000 1.155 228 P CA 0.811 63.732 63.100 -0.299 0.000 0.812 228 P CB -0.110 31.330 31.700 -0.434 0.000 0.801 229 W N 0.361 121.613 121.300 -0.079 0.000 2.378 229 W HA -0.070 4.590 4.660 -0.000 0.000 0.313 229 W C 2.634 179.121 176.519 -0.052 0.000 1.197 229 W CA 1.135 58.444 57.345 -0.060 0.000 1.304 229 W CB -1.156 28.274 29.460 -0.050 0.000 1.148 229 W HN -0.151 nan 8.180 nan 0.000 0.494 230 A N 0.596 123.524 122.820 0.181 0.000 1.908 230 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 230 A C 2.197 179.784 177.584 0.006 0.000 1.181 230 A CA 2.175 54.270 52.037 0.096 0.000 0.627 230 A CB -1.575 17.465 19.000 0.067 0.000 0.818 230 A HN 0.349 nan 8.150 nan 0.000 0.445 231 G N -0.676 108.079 108.800 -0.075 0.000 2.408 231 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.217 231 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.217 231 G C 1.566 176.397 174.900 -0.115 0.000 1.150 231 G CA 0.956 45.979 45.100 -0.128 0.000 0.776 231 G HN 0.415 nan 8.290 nan 0.000 0.542 232 L N -0.041 121.117 121.223 -0.108 0.000 2.027 232 L HA 0.055 4.395 4.340 -0.000 0.000 0.206 232 L C 2.852 179.679 176.870 -0.071 0.000 1.074 232 L CA 0.775 55.550 54.840 -0.108 0.000 0.745 232 L CB -0.260 41.718 42.059 -0.134 0.000 0.898 232 L HN 0.173 nan 8.230 nan 0.000 0.433 233 L N -1.077 120.150 121.223 0.007 0.000 2.141 233 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 233 L C 2.757 179.536 176.870 -0.151 0.000 1.094 233 L CA 0.899 55.734 54.840 -0.009 0.000 0.763 233 L CB -0.881 41.256 42.059 0.130 0.000 0.908 233 L HN 0.228 nan 8.230 nan 0.000 0.437 234 A N 0.506 123.273 122.820 -0.088 0.000 1.873 234 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 234 A C 2.572 179.987 177.584 -0.281 0.000 1.186 234 A CA 1.582 53.541 52.037 -0.130 0.000 0.616 234 A CB -0.688 18.291 19.000 -0.036 0.000 0.823 234 A HN 0.354 nan 8.150 nan 0.000 0.442 235 A N -0.426 122.263 122.820 -0.220 0.000 1.972 235 A HA 0.202 4.522 4.320 -0.000 0.000 0.219 235 A C 2.375 179.781 177.584 -0.297 0.000 1.169 235 A CA 2.020 53.911 52.037 -0.244 0.000 0.635 235 A CB -0.706 18.181 19.000 -0.188 0.000 0.810 235 A HN 0.977 nan 8.150 nan 0.000 0.446 236 A N -0.833 121.815 122.820 -0.287 0.000 1.943 236 A HA 0.323 4.643 4.320 -0.000 0.000 0.213 236 A C 2.332 179.685 177.584 -0.386 0.000 1.181 236 A CA 1.383 53.265 52.037 -0.258 0.000 0.653 236 A CB -1.106 17.797 19.000 -0.161 0.000 0.833 236 A HN 0.619 nan 8.150 nan 0.000 0.451 237 G N 0.161 108.532 108.800 -0.714 0.000 2.418 237 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.217 237 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.217 237 G C 1.539 175.947 174.900 -0.820 0.000 1.158 237 G CA 1.057 45.357 45.100 -1.334 0.000 0.771 237 G HN 0.399 nan 8.290 nan 0.000 0.545 238 L N -0.207 120.639 121.223 -0.628 0.000 2.083 238 L HA -0.045 4.294 4.340 -0.000 0.000 0.209 238 L C 3.204 179.942 176.870 -0.221 0.000 1.083 238 L CA 0.983 55.644 54.840 -0.299 0.000 0.752 238 L CB -0.281 41.595 42.059 -0.305 0.000 0.899 238 L HN 0.162 nan 8.230 nan 0.000 0.433 239 R N -0.188 120.117 120.500 -0.327 0.000 2.075 239 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 239 R C 2.415 178.714 176.300 -0.002 0.000 1.126 239 R CA 1.331 57.241 56.100 -0.317 0.000 0.963 239 R CB -0.494 29.618 30.300 -0.313 0.000 0.858 239 R HN 0.332 nan 8.270 nan 0.000 0.435 240 A N 1.690 124.490 122.820 -0.033 0.000 1.929 240 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 240 A C 2.087 179.723 177.584 0.086 0.000 1.176 240 A CA 0.930 52.988 52.037 0.035 0.000 0.628 240 A CB -0.388 18.625 19.000 0.021 0.000 0.816 240 A HN 0.258 nan 8.150 nan 0.000 0.444 241 L N -0.251 121.037 121.223 0.108 0.000 2.093 241 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 241 L C 1.948 178.979 176.870 0.268 0.000 1.085 241 L CA 1.692 56.662 54.840 0.216 0.000 0.755 241 L CB -1.255 41.017 42.059 0.355 0.000 0.904 241 L HN 0.336 nan 8.230 nan 0.000 0.435 242 L N -1.209 120.188 121.223 0.289 0.000 2.217 242 L HA -0.093 4.247 4.340 -0.000 0.000 0.211 242 L C 2.454 179.614 176.870 0.483 0.000 1.107 242 L CA 0.477 55.560 54.840 0.405 0.000 0.783 242 L CB -0.372 41.939 42.059 0.420 0.000 0.919 242 L HN 0.123 nan 8.230 nan 0.000 0.442 243 V N -0.128 119.943 119.914 0.261 0.000 2.453 243 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 243 V C 2.205 178.475 176.094 0.294 0.000 1.048 243 V CA 1.426 63.811 62.300 0.142 0.000 1.049 243 V CB -0.129 31.505 31.823 -0.315 0.000 0.672 243 V HN 0.332 nan 8.190 nan 0.000 0.457 244 L N -0.061 121.277 121.223 0.191 0.000 2.127 244 L HA 0.051 4.391 4.340 -0.000 0.000 0.203 244 L C 2.533 179.475 176.870 0.120 0.000 1.080 244 L CA 1.331 56.250 54.840 0.132 0.000 0.768 244 L CB -0.642 41.483 42.059 0.111 0.000 0.924 244 L HN 0.302 nan 8.230 nan 0.000 0.444 245 A N -0.056 122.863 122.820 0.166 0.000 2.167 245 A HA 0.079 4.399 4.320 -0.000 0.000 0.214 245 A C 2.090 179.739 177.584 0.109 0.000 1.151 245 A CA 1.058 53.170 52.037 0.125 0.000 0.735 245 A CB -0.641 18.439 19.000 0.134 0.000 0.802 245 A HN 0.404 nan 8.150 nan 0.000 0.467 246 G N -1.046 107.804 108.800 0.084 0.000 3.042 246 G HA2 0.157 4.117 3.960 -0.000 0.000 0.212 246 G HA3 0.157 4.117 3.960 -0.000 0.000 0.212 246 G C 0.611 174.958 174.900 -0.923 0.000 1.166 246 G CA -0.201 44.645 45.100 -0.422 0.000 0.767 246 G HN 0.569 nan 8.290 nan 0.000 0.546 247 Q N 0.219 119.753 119.800 -0.444 0.000 3.184 247 Q HA 0.276 4.616 4.340 -0.000 0.000 0.288 247 Q C -1.273 174.693 176.000 -0.057 0.000 1.412 247 Q CA -0.513 55.057 55.803 -0.389 0.000 0.991 247 Q CB 0.202 28.633 28.738 -0.512 0.000 1.688 247 Q HN 0.457 nan 8.270 nan 0.000 0.554 248 W N 0.836 121.925 121.300 -0.351 0.000 3.129 248 W HA 0.220 4.880 4.660 -0.000 0.000 0.333 248 W C -0.191 176.172 176.519 -0.261 0.000 1.141 248 W CA -0.435 56.743 57.345 -0.278 0.000 1.224 248 W CB 1.395 30.622 29.460 -0.388 0.000 1.393 248 W HN 0.158 nan 8.180 nan 0.000 0.499 249 Q N 3.599 122.996 119.800 -0.672 0.000 2.324 249 Q HA 0.184 4.524 4.340 -0.000 0.000 0.207 249 Q C 1.168 176.539 176.000 -1.049 0.000 0.928 249 Q CA 0.777 56.194 55.803 -0.643 0.000 0.890 249 Q CB -0.064 28.435 28.738 -0.398 0.000 1.001 249 Q HN 0.843 nan 8.270 nan 0.000 0.517 250 G N 2.812 110.678 108.800 -1.555 0.000 2.908 250 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.326 250 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.326 250 G C 0.021 174.414 174.900 -0.844 0.000 0.189 250 G CA 0.443 44.642 45.100 -1.502 0.000 1.233 250 G HN 0.120 nan 8.290 nan 0.000 0.373 251 L N 2.257 123.274 121.223 -0.344 0.000 2.793 251 L HA 0.975 5.315 4.340 -0.000 0.000 0.242 251 L C 1.170 178.031 176.870 -0.014 0.000 1.315 251 L CA -0.446 54.289 54.840 -0.175 0.000 1.263 251 L CB 1.067 43.056 42.059 -0.115 0.000 2.076 251 L HN 0.962 nan 8.230 nan 0.000 0.575 252 G N 0.000 108.805 108.800 0.008 0.000 5.446 252 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 252 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 252 G CA 0.000 nan 45.100 nan 0.000 0.502 252 G HN 0.000 nan 8.290 nan 0.000 0.925