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 2vpw_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 0.000 177.345 177.584 -0.399 0.000 1.274 2 A CA 0.000 51.870 52.037 -0.279 0.000 0.836 2 A CB 0.000 18.901 19.000 -0.165 0.000 0.831 3 E N -0.226 119.673 120.200 -0.502 0.000 2.202 3 E HA 0.703 5.053 4.350 -0.000 0.000 0.272 3 E C -1.569 174.576 176.600 -0.758 0.000 0.951 3 E CA -0.184 55.934 56.400 -0.469 0.000 0.813 3 E CB 1.460 30.958 29.700 -0.337 0.000 1.151 3 E HN 0.337 nan 8.360 nan 0.000 0.398 4 F N 0.267 120.062 119.950 -0.259 0.000 2.611 4 F HA 0.429 4.956 4.527 -0.000 0.000 0.324 4 F C -0.526 175.011 175.800 -0.438 0.000 1.061 4 F CA -0.924 56.923 58.000 -0.254 0.000 0.954 4 F CB 1.347 40.282 39.000 -0.108 0.000 1.301 4 F HN 0.295 nan 8.300 nan 0.000 0.482 5 Y N 0.749 121.184 120.300 0.226 0.000 2.338 5 Y HA 0.537 5.087 4.550 -0.000 0.000 0.328 5 Y C 0.610 176.581 175.900 0.118 0.000 0.965 5 Y CA -0.303 57.871 58.100 0.124 0.000 1.208 5 Y CB 1.405 39.908 38.460 0.070 0.000 1.132 5 Y HN 0.899 nan 8.280 nan 0.000 0.469 6 G N 2.416 111.352 108.800 0.226 0.000 2.584 6 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.229 6 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.229 6 G C -1.598 173.321 174.900 0.032 0.000 1.320 6 G CA -0.666 44.499 45.100 0.107 0.000 0.891 6 G HN 0.625 nan 8.290 nan 0.000 0.573 7 L N 0.451 121.622 121.223 -0.087 0.000 2.582 7 L HA 0.534 4.874 4.340 -0.000 0.000 0.257 7 L C -2.130 174.563 176.870 -0.294 0.000 0.974 7 L CA -1.729 52.912 54.840 -0.332 0.000 0.851 7 L CB 2.494 44.394 42.059 -0.265 0.000 1.424 7 L HN 0.665 nan 8.230 nan 0.000 0.412 8 P HA 0.232 nan 4.420 nan 0.000 0.276 8 P C -1.157 176.033 177.300 -0.184 0.000 1.244 8 P CA -0.506 62.451 63.100 -0.238 0.000 0.801 8 P CB 0.468 32.023 31.700 -0.241 0.000 1.006 9 N N 0.329 118.960 118.700 -0.115 0.000 3.124 9 N HA 0.311 5.051 4.740 -0.000 0.000 0.284 9 N C 0.363 175.836 175.510 -0.061 0.000 1.209 9 N CA -0.214 52.789 53.050 -0.079 0.000 1.149 9 N CB -0.094 38.354 38.487 -0.066 0.000 1.434 9 N HN 0.380 nan 8.380 nan 0.000 0.529 10 A N 1.064 123.847 122.820 -0.063 0.000 2.545 10 A HA 0.012 4.332 4.320 -0.000 0.000 0.277 10 A C 0.644 178.244 177.584 0.027 0.000 1.301 10 A CA -0.429 51.594 52.037 -0.023 0.000 0.935 10 A CB 0.028 18.998 19.000 -0.050 0.000 1.093 10 A HN 0.460 nan 8.150 nan 0.000 0.519 11 Q N 0.401 120.223 119.800 0.036 0.000 2.256 11 Q HA 0.241 4.581 4.340 -0.000 0.000 0.232 11 Q C -0.234 175.806 176.000 0.068 0.000 0.965 11 Q CA -0.540 55.295 55.803 0.053 0.000 0.908 11 Q CB 0.583 29.353 28.738 0.054 0.000 1.209 11 Q HN 0.435 nan 8.270 nan 0.000 0.489 12 E N 1.268 121.472 120.200 0.006 0.000 2.585 12 E HA -0.083 4.267 4.350 -0.000 0.000 0.252 12 E C -0.381 176.089 176.600 -0.216 0.000 0.981 12 E CA 0.026 56.324 56.400 -0.169 0.000 0.943 12 E CB 0.108 29.769 29.700 -0.065 0.000 0.923 12 E HN 0.607 nan 8.360 nan 0.000 0.486 13 F N 3.313 123.091 119.950 -0.287 0.000 2.717 13 F HA 0.348 4.875 4.527 -0.000 0.000 0.295 13 F C 0.047 175.547 175.800 -0.501 0.000 1.117 13 F CA -0.940 56.825 58.000 -0.392 0.000 1.361 13 F CB 0.310 39.027 39.000 -0.471 0.000 1.112 13 F HN 0.180 nan 8.300 nan 0.000 0.594 14 W N 3.379 124.232 121.300 -0.746 0.000 2.424 14 W HA 0.381 5.041 4.660 -0.000 0.000 0.318 14 W C -0.127 176.063 176.519 -0.549 0.000 1.016 14 W CA -1.551 55.488 57.345 -0.510 0.000 1.268 14 W CB 0.152 29.470 29.460 -0.236 0.000 1.297 14 W HN -0.024 nan 8.180 nan 0.000 0.428 15 H N 2.026 121.164 119.070 0.114 0.000 2.437 15 H HA 0.066 4.622 4.556 -0.000 0.000 0.338 15 H C 1.664 176.998 175.328 0.010 0.000 1.495 15 H CA -0.200 55.868 56.048 0.033 0.000 1.453 15 H CB 0.407 30.135 29.762 -0.056 0.000 1.707 15 H HN 0.603 nan 8.280 nan 0.000 0.655 16 W N 0.203 121.623 121.300 0.199 0.000 2.350 16 W HA -0.189 4.471 4.660 -0.000 0.000 0.289 16 W C 1.054 177.646 176.519 0.122 0.000 1.215 16 W CA 1.401 58.815 57.345 0.114 0.000 1.236 16 W CB -1.574 27.929 29.460 0.073 0.000 1.130 16 W HN 0.319 nan 8.180 nan 0.000 0.541 17 T N 1.942 115.852 114.554 -1.072 0.000 2.652 17 T HA -0.275 4.075 4.350 -0.000 0.000 0.267 17 T C 1.566 176.050 174.700 -0.360 0.000 1.039 17 T CA 2.500 63.920 62.100 -1.134 0.000 1.153 17 T CB -0.423 67.848 68.868 -0.995 0.000 0.863 17 T HN 0.232 nan 8.240 nan 0.000 0.428 18 N N 0.111 118.707 118.700 -0.173 0.000 2.270 18 N HA 0.082 4.822 4.740 -0.000 0.000 0.181 18 N C 1.893 177.489 175.510 0.144 0.000 1.016 18 N CA 0.882 53.907 53.050 -0.041 0.000 0.870 18 N CB -0.182 38.247 38.487 -0.096 0.000 0.979 18 N HN 0.353 nan 8.380 nan 0.000 0.431 19 A N 0.675 123.559 122.820 0.107 0.000 1.978 19 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 19 A C 2.090 179.805 177.584 0.219 0.000 1.170 19 A CA 0.851 52.982 52.037 0.157 0.000 0.636 19 A CB -0.695 18.382 19.000 0.129 0.000 0.810 19 A HN 0.401 nan 8.150 nan 0.000 0.448 20 L N -1.063 120.265 121.223 0.175 0.000 2.027 20 L HA -0.209 4.131 4.340 -0.000 0.000 0.206 20 L C 2.619 179.581 176.870 0.153 0.000 1.074 20 L CA 2.528 57.465 54.840 0.163 0.000 0.745 20 L CB -0.671 41.476 42.059 0.147 0.000 0.898 20 L HN 0.791 nan 8.230 nan 0.000 0.433 21 H N -1.009 118.084 119.070 0.039 0.000 2.353 21 H HA -0.283 4.273 4.556 -0.000 0.000 0.298 21 H C 2.008 177.326 175.328 -0.017 0.000 1.103 21 H CA 2.323 58.366 56.048 -0.008 0.000 1.293 21 H CB -0.300 29.424 29.762 -0.064 0.000 1.372 21 H HN 0.290 nan 8.280 nan 0.000 0.501 22 F N -0.057 119.971 119.950 0.129 0.000 2.134 22 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 22 F C 2.534 178.326 175.800 -0.013 0.000 1.097 22 F CA 1.262 59.307 58.000 0.075 0.000 1.264 22 F CB -0.311 38.761 39.000 0.121 0.000 1.001 22 F HN 0.095 nan 8.300 nan 0.000 0.479 23 V N -0.684 119.324 119.914 0.157 0.000 2.427 23 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 23 V C 2.211 178.290 176.094 -0.026 0.000 1.051 23 V CA 1.215 63.540 62.300 0.041 0.000 1.048 23 V CB -0.537 31.304 31.823 0.031 0.000 0.666 23 V HN 0.181 nan 8.190 nan 0.000 0.456 24 L N -0.420 120.770 121.223 -0.054 0.000 2.044 24 L HA -0.058 4.282 4.340 -0.000 0.000 0.205 24 L C 2.439 179.225 176.870 -0.140 0.000 1.075 24 L CA 1.526 56.315 54.840 -0.087 0.000 0.747 24 L CB -0.782 41.234 42.059 -0.070 0.000 0.903 24 L HN 0.184 nan 8.230 nan 0.000 0.435 25 V N -0.322 119.420 119.914 -0.287 0.000 2.688 25 V HA -0.195 3.925 4.120 -0.000 0.000 0.256 25 V C 2.267 178.287 176.094 -0.123 0.000 1.084 25 V CA 1.758 63.905 62.300 -0.254 0.000 1.103 25 V CB -0.604 30.950 31.823 -0.449 0.000 0.688 25 V HN 0.556 nan 8.190 nan 0.000 0.480 26 G N -0.570 108.167 108.800 -0.106 0.000 2.414 26 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.215 26 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.215 26 G C 1.533 176.416 174.900 -0.028 0.000 1.188 26 G CA 1.063 46.131 45.100 -0.052 0.000 0.783 26 G HN 0.480 nan 8.290 nan 0.000 0.537 27 L N 0.631 121.834 121.223 -0.034 0.000 1.989 27 L HA -0.124 4.215 4.340 -0.000 0.000 0.211 27 L C 3.460 180.341 176.870 0.019 0.000 1.071 27 L CA 1.265 56.097 54.840 -0.013 0.000 0.749 27 L CB -0.424 41.620 42.059 -0.025 0.000 0.890 27 L HN 0.336 nan 8.230 nan 0.000 0.431 28 A N 0.046 122.872 122.820 0.010 0.000 1.849 28 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 28 A C 2.336 179.965 177.584 0.075 0.000 1.202 28 A CA 2.128 54.193 52.037 0.046 0.000 0.629 28 A CB -1.574 17.443 19.000 0.029 0.000 0.834 28 A HN 0.486 nan 8.150 nan 0.000 0.447 29 G N -1.084 107.755 108.800 0.065 0.000 2.446 29 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.217 29 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.217 29 G C 1.512 176.464 174.900 0.087 0.000 1.168 29 G CA 1.380 46.535 45.100 0.091 0.000 0.771 29 G HN 0.852 nan 8.290 nan 0.000 0.551 30 G N -0.221 108.618 108.800 0.066 0.000 2.448 30 G HA2 0.001 3.961 3.960 -0.000 0.000 0.218 30 G HA3 0.001 3.961 3.960 -0.000 0.000 0.218 30 G C 1.638 176.597 174.900 0.097 0.000 1.135 30 G CA 0.967 46.106 45.100 0.065 0.000 0.784 30 G HN 0.338 nan 8.290 nan 0.000 0.543 31 V N 1.066 121.055 119.914 0.125 0.000 2.591 31 V HA 0.041 4.161 4.120 -0.000 0.000 0.249 31 V C 3.153 179.364 176.094 0.195 0.000 1.053 31 V CA 1.532 63.956 62.300 0.206 0.000 1.068 31 V CB -0.146 31.818 31.823 0.236 0.000 0.689 31 V HN 0.423 nan 8.190 nan 0.000 0.462 32 A N -0.221 122.686 122.820 0.146 0.000 2.015 32 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 32 A C 2.100 179.740 177.584 0.093 0.000 1.163 32 A CA 1.724 53.838 52.037 0.128 0.000 0.646 32 A CB -0.377 18.702 19.000 0.132 0.000 0.806 32 A HN 0.463 nan 8.150 nan 0.000 0.448 33 L N -0.358 120.912 121.223 0.078 0.000 2.072 33 L HA -0.011 4.329 4.340 -0.000 0.000 0.205 33 L C 2.235 179.097 176.870 -0.013 0.000 1.079 33 L CA 1.395 56.255 54.840 0.034 0.000 0.752 33 L CB -0.359 41.721 42.059 0.035 0.000 0.906 33 L HN 0.373 nan 8.230 nan 0.000 0.436 34 L N -0.409 120.816 121.223 0.003 0.000 1.989 34 L HA -0.231 4.109 4.340 -0.000 0.000 0.211 34 L C 2.713 179.506 176.870 -0.129 0.000 1.071 34 L CA 1.499 56.280 54.840 -0.099 0.000 0.749 34 L CB -1.172 40.869 42.059 -0.031 0.000 0.890 34 L HN 0.405 nan 8.230 nan 0.000 0.431 35 A N -0.061 122.787 122.820 0.047 0.000 1.940 35 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 35 A C 2.515 180.157 177.584 0.097 0.000 1.176 35 A CA 1.841 53.949 52.037 0.119 0.000 0.631 35 A CB -0.606 18.520 19.000 0.209 0.000 0.814 35 A HN 0.449 nan 8.150 nan 0.000 0.446 36 A N -0.236 122.593 122.820 0.014 0.000 1.855 36 A HA -0.008 4.312 4.320 -0.000 0.000 0.215 36 A C 2.123 179.617 177.584 -0.151 0.000 1.191 36 A CA 1.424 53.426 52.037 -0.059 0.000 0.613 36 A CB -0.627 18.326 19.000 -0.078 0.000 0.829 36 A HN 0.459 nan 8.150 nan 0.000 0.442 37 L N -0.650 120.461 121.223 -0.187 0.000 2.191 37 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 37 L C 2.456 179.149 176.870 -0.294 0.000 1.103 37 L CA 0.667 55.353 54.840 -0.257 0.000 0.769 37 L CB -0.432 41.481 42.059 -0.244 0.000 0.908 37 L HN 0.386 nan 8.230 nan 0.000 0.438 38 L N -1.446 119.602 121.223 -0.293 0.000 2.068 38 L HA -0.175 4.165 4.340 -0.000 0.000 0.204 38 L C 2.471 179.179 176.870 -0.269 0.000 1.076 38 L CA 0.981 55.612 54.840 -0.348 0.000 0.753 38 L CB -0.519 41.312 42.059 -0.381 0.000 0.910 38 L HN 0.201 nan 8.230 nan 0.000 0.439 39 H N -0.865 118.086 119.070 -0.198 0.000 2.422 39 H HA -0.191 4.365 4.556 -0.000 0.000 0.298 39 H C 1.879 177.080 175.328 -0.212 0.000 1.098 39 H CA 1.376 57.321 56.048 -0.171 0.000 1.315 39 H CB 0.198 29.868 29.762 -0.153 0.000 1.382 39 H HN 0.053 nan 8.280 nan 0.000 0.523 40 L N 0.289 121.411 121.223 -0.167 0.000 2.240 40 L HA -0.056 4.284 4.340 -0.000 0.000 0.211 40 L C 1.570 178.316 176.870 -0.207 0.000 1.106 40 L CA 1.464 56.141 54.840 -0.272 0.000 0.793 40 L CB -0.128 41.641 42.059 -0.483 0.000 0.927 40 L HN 0.096 nan 8.230 nan 0.000 0.446 41 K N -0.367 119.909 120.400 -0.207 0.000 2.444 41 K HA 0.242 4.562 4.320 -0.000 0.000 0.193 41 K C 1.233 177.745 176.600 -0.147 0.000 1.024 41 K CA 0.698 56.881 56.287 -0.173 0.000 1.077 41 K CB -0.238 32.137 32.500 -0.209 0.000 0.833 41 K HN 0.302 nan 8.250 nan 0.000 0.517 42 G N 2.638 111.348 108.800 -0.151 0.000 2.168 42 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.257 42 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.257 42 G C -0.074 174.738 174.900 -0.147 0.000 0.997 42 G CA 0.567 45.589 45.100 -0.129 0.000 0.708 42 G HN 0.452 nan 8.290 nan 0.000 0.520 43 D N 0.028 120.315 120.400 -0.188 0.000 2.372 43 D HA 0.473 5.113 4.640 -0.000 0.000 0.243 43 D C 1.661 177.865 176.300 -0.161 0.000 1.121 43 D CA 0.338 54.237 54.000 -0.169 0.000 0.898 43 D CB 1.052 41.716 40.800 -0.227 0.000 1.202 43 D HN 0.331 nan 8.370 nan 0.000 0.428 44 A N 4.159 126.924 122.820 -0.092 0.000 2.019 44 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 44 A C 1.692 179.247 177.584 -0.048 0.000 1.164 44 A CA 1.113 53.109 52.037 -0.069 0.000 0.644 44 A CB -0.295 18.689 19.000 -0.027 0.000 0.805 44 A HN 0.758 nan 8.150 nan 0.000 0.449 45 E N -0.015 120.191 120.200 0.009 0.000 2.516 45 E HA 0.060 4.410 4.350 -0.000 0.000 0.199 45 E C 1.891 178.552 176.600 0.101 0.000 1.069 45 E CA 0.420 56.898 56.400 0.130 0.000 0.876 45 E CB -0.198 29.702 29.700 0.333 0.000 0.843 45 E HN 0.645 nan 8.360 nan 0.000 0.530 46 A N 1.594 124.340 122.820 -0.122 0.000 2.070 46 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 46 A C 2.087 179.591 177.584 -0.134 0.000 1.159 46 A CA 0.891 52.764 52.037 -0.274 0.000 0.656 46 A CB -0.130 18.383 19.000 -0.811 0.000 0.800 46 A HN 0.032 nan 8.150 nan 0.000 0.453 47 R N -0.223 120.227 120.500 -0.082 0.000 2.075 47 R HA -0.063 4.277 4.340 -0.000 0.000 0.226 47 R C 2.326 178.689 176.300 0.104 0.000 1.114 47 R CA 1.483 57.613 56.100 0.049 0.000 0.972 47 R CB -0.360 29.926 30.300 -0.023 0.000 0.869 47 R HN 0.828 nan 8.270 nan 0.000 0.437 48 R N -1.327 119.136 120.500 -0.062 0.000 2.200 48 R HA 0.005 4.345 4.340 -0.000 0.000 0.208 48 R C 1.469 177.338 176.300 -0.719 0.000 1.033 48 R CA 0.827 56.701 56.100 -0.377 0.000 1.000 48 R CB -0.500 29.527 30.300 -0.455 0.000 0.906 48 R HN 0.131 nan 8.270 nan 0.000 0.462 49 Y N 2.216 122.346 120.300 -0.283 0.000 2.373 49 Y HA -0.044 4.506 4.550 -0.000 0.000 0.293 49 Y C 2.312 178.187 175.900 -0.042 0.000 1.129 49 Y CA 1.875 59.904 58.100 -0.118 0.000 1.226 49 Y CB 0.151 38.656 38.460 0.074 0.000 1.000 49 Y HN 0.086 nan 8.280 nan 0.000 0.549 50 T N 0.132 114.750 114.554 0.106 0.000 2.857 50 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 50 T C 1.914 176.560 174.700 -0.090 0.000 1.048 50 T CA 1.129 63.283 62.100 0.091 0.000 1.139 50 T CB -0.539 68.466 68.868 0.227 0.000 0.874 50 T HN 0.180 nan 8.240 nan 0.000 0.455 51 L N 0.563 121.642 121.223 -0.239 0.000 2.012 51 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 51 L C 2.087 178.880 176.870 -0.128 0.000 1.073 51 L CA 1.703 56.290 54.840 -0.421 0.000 0.748 51 L CB -0.849 40.928 42.059 -0.470 0.000 0.891 51 L HN 0.406 nan 8.230 nan 0.000 0.431 52 Y N -0.859 119.367 120.300 -0.122 0.000 2.181 52 Y HA -0.238 4.312 4.550 -0.000 0.000 0.288 52 Y C 2.519 178.409 175.900 -0.016 0.000 1.146 52 Y CA 0.358 58.408 58.100 -0.082 0.000 1.164 52 Y CB -0.464 37.929 38.460 -0.113 0.000 0.982 52 Y HN 0.376 nan 8.280 nan 0.000 0.515 53 A N 0.319 123.256 122.820 0.195 0.000 1.969 53 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 53 A C 2.156 179.812 177.584 0.119 0.000 1.169 53 A CA 1.157 53.285 52.037 0.151 0.000 0.635 53 A CB -0.897 18.191 19.000 0.148 0.000 0.810 53 A HN 0.460 nan 8.150 nan 0.000 0.445 54 L N -1.535 119.710 121.223 0.036 0.000 2.109 54 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 54 L C 2.801 179.792 176.870 0.201 0.000 1.086 54 L CA 1.269 56.117 54.840 0.013 0.000 0.760 54 L CB -0.444 41.420 42.059 -0.326 0.000 0.910 54 L HN 0.404 nan 8.230 nan 0.000 0.437 55 M N -0.571 119.092 119.600 0.105 0.000 2.156 55 M HA -0.174 4.306 4.480 -0.000 0.000 0.264 55 M C 2.204 178.559 176.300 0.093 0.000 1.067 55 M CA 1.688 57.046 55.300 0.097 0.000 1.131 55 M CB -0.156 32.480 32.600 0.059 0.000 1.368 55 M HN 0.189 nan 8.290 nan 0.000 0.416 56 L N -0.400 120.876 121.223 0.088 0.000 2.217 56 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 56 L C 2.206 179.122 176.870 0.077 0.000 1.107 56 L CA 0.699 55.577 54.840 0.062 0.000 0.783 56 L CB -0.424 41.664 42.059 0.048 0.000 0.919 56 L HN 0.319 nan 8.230 nan 0.000 0.442 57 I N -0.321 120.331 120.570 0.136 0.000 2.286 57 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 57 I C 2.762 178.901 176.117 0.038 0.000 1.104 57 I CA 1.029 62.407 61.300 0.130 0.000 1.397 57 I CB -0.444 37.731 38.000 0.292 0.000 1.072 57 I HN 0.205 nan 8.210 nan 0.000 0.417 58 A N 1.065 123.930 122.820 0.075 0.000 1.877 58 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 58 A C 2.243 179.851 177.584 0.039 0.000 1.186 58 A CA 1.407 53.422 52.037 -0.037 0.000 0.620 58 A CB -0.866 18.163 19.000 0.049 0.000 0.822 58 A HN 0.372 nan 8.150 nan 0.000 0.443 59 L N 0.141 121.403 121.223 0.066 0.000 2.127 59 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 59 L C 1.778 178.736 176.870 0.147 0.000 1.089 59 L CA 2.790 57.697 54.840 0.112 0.000 0.757 59 L CB -0.601 41.499 42.059 0.068 0.000 0.899 59 L HN 0.452 nan 8.230 nan 0.000 0.434 60 D N -1.131 119.312 120.400 0.071 0.000 2.162 60 D HA -0.119 4.521 4.640 -0.000 0.000 0.203 60 D C 2.172 178.519 176.300 0.078 0.000 0.967 60 D CA 1.113 55.132 54.000 0.031 0.000 0.840 60 D CB -0.008 40.749 40.800 -0.071 0.000 0.972 60 D HN 0.420 nan 8.370 nan 0.000 0.482 61 L N -0.403 120.853 121.223 0.054 0.000 2.093 61 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 61 L C 2.240 179.186 176.870 0.127 0.000 1.085 61 L CA 0.616 55.486 54.840 0.050 0.000 0.755 61 L CB -0.471 41.544 42.059 -0.073 0.000 0.904 61 L HN 0.070 nan 8.230 nan 0.000 0.435 62 F N 1.468 121.433 119.950 0.025 0.000 2.134 62 F HA -0.216 4.311 4.527 -0.000 0.000 0.299 62 F C 2.248 178.173 175.800 0.208 0.000 1.097 62 F CA 1.807 59.876 58.000 0.116 0.000 1.264 62 F CB -0.086 38.952 39.000 0.063 0.000 1.001 62 F HN 0.052 nan 8.300 nan 0.000 0.479 63 I N -1.278 119.358 120.570 0.110 0.000 3.251 63 I HA -0.034 4.136 4.170 -0.000 0.000 0.277 63 I C 1.610 177.704 176.117 -0.037 0.000 1.268 63 I CA 0.966 62.236 61.300 -0.050 0.000 1.449 63 I CB -0.397 37.648 38.000 0.076 0.000 1.083 63 I HN 0.193 nan 8.210 nan 0.000 0.464 64 L N -0.352 120.918 121.223 0.079 0.000 2.156 64 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 64 L C 2.255 179.128 176.870 0.005 0.000 1.095 64 L CA 1.413 56.304 54.840 0.084 0.000 0.770 64 L CB -0.318 41.845 42.059 0.174 0.000 0.914 64 L HN 0.619 nan 8.230 nan 0.000 0.439 65 W N -0.182 120.975 121.300 -0.239 0.000 2.525 65 W HA 0.035 4.695 4.660 -0.000 0.000 0.288 65 W C 2.220 178.503 176.519 -0.393 0.000 1.200 65 W CA 0.836 57.967 57.345 -0.358 0.000 1.349 65 W CB -0.020 29.200 29.460 -0.400 0.000 1.102 65 W HN -0.007 nan 8.180 nan 0.000 0.558 66 A N 0.354 122.784 122.820 -0.651 0.000 2.209 66 A HA -0.133 4.187 4.320 -0.000 0.000 0.212 66 A C 1.830 179.026 177.584 -0.645 0.000 1.158 66 A CA 1.638 53.114 52.037 -0.935 0.000 0.742 66 A CB -0.726 17.788 19.000 -0.811 0.000 0.790 66 A HN 0.568 nan 8.150 nan 0.000 0.472 67 E N -0.353 119.564 120.200 -0.472 0.000 2.526 67 E HA 0.091 4.441 4.350 -0.000 0.000 0.208 67 E C 0.097 176.533 176.600 -0.273 0.000 0.997 67 E CA 0.184 56.387 56.400 -0.329 0.000 0.961 67 E CB 0.008 29.559 29.700 -0.249 0.000 1.030 67 E HN 0.304 nan 8.360 nan 0.000 0.483 68 S N 1.809 117.300 115.700 -0.347 0.000 2.499 68 S HA 0.223 4.693 4.470 -0.000 0.000 0.275 68 S C -1.784 172.657 174.600 -0.265 0.000 1.257 68 S CA -1.426 56.647 58.200 -0.212 0.000 1.050 68 S CB 1.348 64.511 63.200 -0.061 0.000 0.937 68 S HN -0.040 nan 8.310 nan 0.000 0.490 69 P HA 0.036 nan 4.420 nan 0.000 0.223 69 P C 0.321 177.527 177.300 -0.158 0.000 1.144 69 P CA 0.810 63.828 63.100 -0.137 0.000 0.783 69 P CB 0.088 31.756 31.700 -0.054 0.000 0.771 70 A N -0.108 122.633 122.820 -0.132 0.000 2.610 70 A HA 0.112 4.432 4.320 -0.000 0.000 0.286 70 A C 1.965 179.468 177.584 -0.136 0.000 1.306 70 A CA -0.420 51.560 52.037 -0.095 0.000 0.942 70 A CB -0.839 18.144 19.000 -0.027 0.000 1.112 70 A HN 0.082 nan 8.150 nan 0.000 0.527 71 R N -0.510 119.729 120.500 -0.436 0.000 2.120 71 R HA -0.082 4.258 4.340 -0.000 0.000 0.234 71 R C 0.424 176.311 176.300 -0.689 0.000 1.123 71 R CA 1.852 57.435 56.100 -0.861 0.000 0.975 71 R CB -0.399 28.950 30.300 -1.585 0.000 0.866 71 R HN 0.503 nan 8.270 nan 0.000 0.446 72 F N 0.028 119.714 119.950 -0.440 0.000 2.695 72 F HA 0.368 4.895 4.527 -0.000 0.000 0.303 72 F C 1.986 177.249 175.800 -0.894 0.000 1.091 72 F CA -0.648 56.900 58.000 -0.755 0.000 1.300 72 F CB 0.457 39.251 39.000 -0.343 0.000 1.071 72 F HN -0.159 nan 8.300 nan 0.000 0.578 73 R N 0.186 120.475 120.500 -0.351 0.000 2.297 73 R HA 0.051 4.391 4.340 -0.000 0.000 0.197 73 R C -0.057 176.262 176.300 0.031 0.000 0.943 73 R CA 0.031 56.055 56.100 -0.126 0.000 1.038 73 R CB -0.360 29.932 30.300 -0.013 0.000 0.957 73 R HN 0.230 nan 8.270 nan 0.000 0.484 74 F N 1.091 121.223 119.950 0.304 0.000 2.635 74 F HA -0.250 4.277 4.527 -0.000 0.000 0.228 74 F C 0.848 176.827 175.800 0.298 0.000 1.029 74 F CA 0.555 58.742 58.000 0.312 0.000 0.907 74 F CB -1.573 37.569 39.000 0.235 0.000 0.893 74 F HN 0.108 nan 8.300 nan 0.000 0.845 75 T N -4.976 109.867 114.554 0.481 0.000 3.010 75 T HA 0.060 4.410 4.350 -0.000 0.000 0.257 75 T C 1.040 175.979 174.700 0.398 0.000 1.020 75 T CA 0.293 62.659 62.100 0.443 0.000 0.938 75 T CB -0.073 68.967 68.868 0.287 0.000 1.049 75 T HN 0.502 nan 8.240 nan 0.000 0.522 76 H N 1.070 120.305 119.070 0.276 0.000 2.543 76 H HA 0.258 4.814 4.556 -0.000 0.000 0.286 76 H C 1.922 177.332 175.328 0.136 0.000 1.037 76 H CA 0.488 56.649 56.048 0.188 0.000 1.250 76 H CB -0.385 29.496 29.762 0.199 0.000 1.373 76 H HN 0.354 nan 8.280 nan 0.000 0.580 77 I N -0.449 120.249 120.570 0.214 0.000 2.335 77 I HA -0.294 3.876 4.170 -0.000 0.000 0.251 77 I C 1.175 177.243 176.117 -0.082 0.000 1.129 77 I CA 1.256 62.568 61.300 0.021 0.000 1.402 77 I CB -0.045 37.844 38.000 -0.186 0.000 1.069 77 I HN 0.316 nan 8.210 nan 0.000 0.424 78 W N -0.198 121.182 121.300 0.133 0.000 2.525 78 W HA -0.150 4.510 4.660 -0.000 0.000 0.259 78 W C 2.117 178.708 176.519 0.120 0.000 1.253 78 W CA -0.197 57.225 57.345 0.129 0.000 1.262 78 W CB -0.295 29.221 29.460 0.094 0.000 1.122 78 W HN 0.151 nan 8.180 nan 0.000 0.607 79 L N -1.048 120.246 121.223 0.119 0.000 2.127 79 L HA -0.152 4.188 4.340 -0.000 0.000 0.211 79 L C 1.417 178.122 176.870 -0.274 0.000 1.089 79 L CA 1.809 56.529 54.840 -0.199 0.000 0.757 79 L CB -0.923 40.699 42.059 -0.730 0.000 0.899 79 L HN 0.015 nan 8.230 nan 0.000 0.434 80 F N -2.531 117.508 119.950 0.148 0.000 2.678 80 F HA 0.190 4.717 4.527 -0.000 0.000 0.305 80 F C 1.303 177.306 175.800 0.337 0.000 1.090 80 F CA -0.137 57.912 58.000 0.081 0.000 1.272 80 F CB 0.207 38.999 39.000 -0.346 0.000 1.060 80 F HN -0.143 nan 8.300 nan 0.000 0.576 81 L N -0.349 121.136 121.223 0.438 0.000 2.910 81 L HA 0.279 4.619 4.340 -0.000 0.000 0.252 81 L C 0.417 177.552 176.870 0.442 0.000 1.195 81 L CA -0.180 54.867 54.840 0.346 0.000 1.003 81 L CB -0.051 42.053 42.059 0.075 0.000 1.328 81 L HN 0.052 nan 8.230 nan 0.000 0.540 82 S N -1.441 114.592 115.700 0.555 0.000 2.671 82 S HA 0.619 5.089 4.470 -0.000 0.000 0.277 82 S C -1.266 173.535 174.600 0.335 0.000 1.165 82 S CA -0.630 57.804 58.200 0.390 0.000 0.822 82 S CB 2.213 65.668 63.200 0.426 0.000 1.150 82 S HN -0.025 nan 8.310 nan 0.000 0.479 83 F N 2.324 122.020 119.950 -0.424 0.000 2.430 83 F HA 0.513 5.040 4.527 -0.000 0.000 0.362 83 F C -0.552 174.334 175.800 -1.522 0.000 1.103 83 F CA -0.616 56.890 58.000 -0.823 0.000 1.045 83 F CB 0.800 39.488 39.000 -0.520 0.000 1.276 83 F HN 0.743 nan 8.300 nan 0.000 0.444 84 H N 7.539 125.266 119.070 -2.238 0.000 2.348 84 H HA 0.240 4.796 4.556 -0.000 0.000 0.232 84 H C -2.003 172.328 175.328 -1.661 0.000 1.419 84 H CA -1.566 53.545 56.048 -1.561 0.000 1.416 84 H CB 0.729 29.962 29.762 -0.882 0.000 1.510 84 H HN 0.419 nan 8.280 nan 0.000 0.507 85 P HA -0.113 nan 4.420 nan 0.000 0.225 85 P C 1.373 178.718 177.300 0.075 0.000 1.148 85 P CA 1.042 63.685 63.100 -0.761 0.000 0.779 85 P CB -0.017 31.271 31.700 -0.686 0.000 0.780 86 T N -4.308 110.196 114.554 -0.083 0.000 3.113 86 T HA 0.062 4.412 4.350 -0.000 0.000 0.256 86 T C 0.950 175.738 174.700 0.147 0.000 1.131 86 T CA -0.056 62.083 62.100 0.065 0.000 1.074 86 T CB -0.519 68.346 68.868 -0.006 0.000 0.944 86 T HN 0.083 nan 8.240 nan 0.000 0.516 87 S N 1.899 117.710 115.700 0.185 0.000 2.448 87 S HA 0.425 4.895 4.470 -0.000 0.000 0.320 87 S C -1.925 172.942 174.600 0.445 0.000 1.071 87 S CA -1.677 56.670 58.200 0.245 0.000 1.113 87 S CB 1.512 64.802 63.200 0.151 0.000 0.972 87 S HN -0.127 nan 8.310 nan 0.000 0.465 88 P HA -0.102 nan 4.420 nan 0.000 0.216 88 P C 1.484 179.032 177.300 0.414 0.000 1.150 88 P CA 1.024 64.395 63.100 0.451 0.000 0.837 88 P CB 0.015 31.923 31.700 0.346 0.000 0.786 89 I N -2.733 118.018 120.570 0.301 0.000 2.493 89 I HA -0.178 3.992 4.170 -0.000 0.000 0.254 89 I C 2.288 178.421 176.117 0.027 0.000 1.160 89 I CA 1.137 62.505 61.300 0.113 0.000 1.445 89 I CB -1.159 36.922 38.000 0.135 0.000 1.086 89 I HN 0.097 nan 8.210 nan 0.000 0.433 90 W N 0.947 122.239 121.300 -0.013 0.000 2.407 90 W HA -0.180 4.480 4.660 -0.000 0.000 0.305 90 W C 2.325 178.815 176.519 -0.049 0.000 1.196 90 W CA 1.064 58.382 57.345 -0.045 0.000 1.311 90 W CB -0.594 28.825 29.460 -0.070 0.000 1.135 90 W HN 0.008 nan 8.180 nan 0.000 0.514 91 W N 0.565 122.014 121.300 0.248 0.000 2.317 91 W HA -0.129 4.531 4.660 -0.000 0.000 0.318 91 W C 2.719 179.106 176.519 -0.219 0.000 1.227 91 W CA 2.371 59.757 57.345 0.068 0.000 1.269 91 W CB -1.164 28.410 29.460 0.191 0.000 1.155 91 W HN 0.016 nan 8.180 nan 0.000 0.484 92 G N -0.127 108.449 108.800 -0.373 0.000 2.469 92 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 92 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 92 G C 1.592 176.158 174.900 -0.557 0.000 1.136 92 G CA 1.525 45.926 45.100 -1.165 0.000 0.759 92 G HN 0.369 nan 8.290 nan 0.000 0.562 93 A N -0.167 122.386 122.820 -0.445 0.000 1.898 93 A HA 0.037 4.357 4.320 -0.000 0.000 0.216 93 A C 2.162 179.588 177.584 -0.263 0.000 1.181 93 A CA 1.357 53.179 52.037 -0.358 0.000 0.620 93 A CB -0.551 18.095 19.000 -0.590 0.000 0.819 93 A HN 0.490 nan 8.150 nan 0.000 0.442 94 W N -0.182 120.845 121.300 -0.455 0.000 2.453 94 W HA 0.133 4.793 4.660 -0.000 0.000 0.289 94 W C 2.502 178.837 176.519 -0.306 0.000 1.215 94 W CA 0.994 58.108 57.345 -0.385 0.000 1.297 94 W CB -0.536 28.460 29.460 -0.774 0.000 1.113 94 W HN 0.357 nan 8.180 nan 0.000 0.551 95 G N 0.574 109.387 108.800 0.022 0.000 2.433 95 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.216 95 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.216 95 G C 1.430 176.356 174.900 0.043 0.000 1.186 95 G CA 1.240 46.397 45.100 0.095 0.000 0.779 95 G HN 0.139 nan 8.290 nan 0.000 0.543 96 L N 0.955 122.199 121.223 0.034 0.000 1.955 96 L HA 0.022 4.362 4.340 -0.000 0.000 0.213 96 L C 3.236 180.107 176.870 0.001 0.000 1.072 96 L CA 1.371 56.240 54.840 0.049 0.000 0.755 96 L CB -1.107 40.967 42.059 0.025 0.000 0.888 96 L HN 0.299 nan 8.230 nan 0.000 0.432 97 G N 0.449 109.188 108.800 -0.101 0.000 2.586 97 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.218 97 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.218 97 G C 1.583 176.370 174.900 -0.188 0.000 1.216 97 G CA 1.301 46.271 45.100 -0.216 0.000 0.786 97 G HN 0.270 nan 8.290 nan 0.000 0.583 98 L N 0.955 121.996 121.223 -0.304 0.000 2.131 98 L HA 0.055 4.395 4.340 -0.000 0.000 0.210 98 L C 3.120 179.874 176.870 -0.194 0.000 1.092 98 L CA 0.827 55.433 54.840 -0.390 0.000 0.759 98 L CB -0.537 40.966 42.059 -0.927 0.000 0.903 98 L HN 0.340 nan 8.230 nan 0.000 0.435 99 G N -0.814 107.944 108.800 -0.070 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 1.445 176.452 174.900 0.179 0.000 1.125 99 G CA 0.214 45.449 45.100 0.225 0.000 0.775 99 G HN 0.359 nan 8.290 nan 0.000 0.548 100 F N 0.514 120.446 119.950 -0.029 0.000 2.473 100 F HA 0.310 4.837 4.527 -0.000 0.000 0.294 100 F C 2.201 177.972 175.800 -0.048 0.000 1.103 100 F CA 0.360 58.335 58.000 -0.042 0.000 1.442 100 F CB 0.182 39.134 39.000 -0.079 0.000 1.097 100 F HN 0.009 nan 8.300 nan 0.000 0.547 101 L N -0.750 120.532 121.223 0.099 0.000 2.049 101 L HA -0.132 4.208 4.340 -0.000 0.000 0.203 101 L C 2.330 179.194 176.870 -0.010 0.000 1.074 101 L CA 1.542 56.392 54.840 0.016 0.000 0.749 101 L CB -1.358 40.706 42.059 0.008 0.000 0.907 101 L HN -0.005 nan 8.230 nan 0.000 0.439 102 T N 0.149 114.743 114.554 0.067 0.000 2.665 102 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 102 T C 1.706 176.404 174.700 -0.004 0.000 1.035 102 T CA 1.663 63.820 62.100 0.094 0.000 1.151 102 T CB -0.590 68.432 68.868 0.257 0.000 0.862 102 T HN 0.574 nan 8.240 nan 0.000 0.438 103 G N 0.076 108.852 108.800 -0.039 0.000 2.650 103 G HA2 0.180 4.140 3.960 -0.000 0.000 0.214 103 G HA3 0.180 4.140 3.960 -0.000 0.000 0.214 103 G C 1.515 176.319 174.900 -0.160 0.000 1.136 103 G CA 0.709 45.748 45.100 -0.102 0.000 0.789 103 G HN 0.565 nan 8.290 nan 0.000 0.536 104 G N 1.208 109.880 108.800 -0.215 0.000 2.395 104 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.214 104 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.214 104 G C 1.664 176.529 174.900 -0.058 0.000 1.177 104 G CA 0.640 45.611 45.100 -0.216 0.000 0.794 104 G HN 0.362 nan 8.290 nan 0.000 0.532 105 L N 0.393 121.588 121.223 -0.048 0.000 2.131 105 L HA 0.080 4.420 4.340 -0.000 0.000 0.210 105 L C 2.737 179.591 176.870 -0.027 0.000 1.092 105 L CA 0.578 55.403 54.840 -0.025 0.000 0.759 105 L CB -0.525 41.524 42.059 -0.018 0.000 0.903 105 L HN 0.111 nan 8.230 nan 0.000 0.435 106 L N -1.808 119.386 121.223 -0.049 0.000 2.046 106 L HA -0.259 4.081 4.340 -0.000 0.000 0.208 106 L C 2.613 179.497 176.870 0.022 0.000 1.077 106 L CA 1.360 56.150 54.840 -0.083 0.000 0.747 106 L CB -0.547 41.365 42.059 -0.245 0.000 0.896 106 L HN 0.222 nan 8.230 nan 0.000 0.432 107 Y N -0.168 120.087 120.300 -0.076 0.000 2.293 107 Y HA -0.148 4.402 4.550 -0.000 0.000 0.291 107 Y C 1.754 177.626 175.900 -0.046 0.000 1.137 107 Y CA 1.084 59.152 58.100 -0.053 0.000 1.202 107 Y CB 0.255 38.658 38.460 -0.095 0.000 0.990 107 Y HN 0.033 nan 8.280 nan 0.000 0.537 108 L N -0.082 121.124 121.223 -0.028 0.000 2.741 108 L HA 0.335 4.675 4.340 -0.000 0.000 0.237 108 L C 1.200 178.029 176.870 -0.067 0.000 1.178 108 L CA 0.316 55.117 54.840 -0.066 0.000 0.973 108 L CB -0.548 41.504 42.059 -0.012 0.000 1.255 108 L HN 0.230 nan 8.230 nan 0.000 0.498 109 G N 1.273 110.032 108.800 -0.069 0.000 2.332 109 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.277 109 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.277 109 G C 0.226 175.105 174.900 -0.035 0.000 0.884 109 G CA 0.612 45.682 45.100 -0.050 0.000 1.251 109 G HN 0.444 nan 8.290 nan 0.000 0.462 110 K N -0.403 119.981 120.400 -0.027 0.000 2.508 110 K HA 0.667 4.987 4.320 -0.000 0.000 0.260 110 K C 0.737 177.331 176.600 -0.011 0.000 0.949 110 K CA -0.816 55.461 56.287 -0.018 0.000 0.834 110 K CB 1.972 34.461 32.500 -0.018 0.000 1.365 110 K HN 1.314 nan 8.250 nan 0.000 0.437 111 G N 1.102 109.899 108.800 -0.004 0.000 2.246 111 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.273 111 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.273 111 G C 0.090 174.995 174.900 0.008 0.000 1.055 111 G CA 1.032 46.135 45.100 0.004 0.000 0.851 111 G HN 1.022 nan 8.290 nan 0.000 0.500 112 S N -2.557 113.146 115.700 0.004 0.000 3.872 112 S HA -0.098 4.372 4.470 -0.000 0.000 0.637 112 S C 0.390 174.990 174.600 -0.000 0.000 1.919 112 S CA 1.573 59.778 58.200 0.008 0.000 2.119 112 S CB -0.832 62.381 63.200 0.021 0.000 0.330 112 S HN 1.440 nan 8.310 nan 0.000 1.761 113 Q N -0.947 118.857 119.800 0.006 0.000 1.690 113 Q HA 0.183 4.523 4.340 -0.000 0.000 0.161 113 Q C 0.830 176.825 176.000 -0.007 0.000 0.764 113 Q CA 0.276 56.073 55.803 -0.011 0.000 0.793 113 Q CB 0.456 29.199 28.738 0.009 0.000 1.217 113 Q HN 0.570 nan 8.270 nan 0.000 0.372 114 R N 0.129 120.644 120.500 0.024 0.000 2.428 114 R HA 0.349 4.689 4.340 -0.000 0.000 0.193 114 R C 1.701 178.078 176.300 0.128 0.000 0.852 114 R CA 1.315 57.436 56.100 0.036 0.000 1.055 114 R CB -0.115 30.241 30.300 0.093 0.000 1.343 114 R HN 0.041 nan 8.270 nan 0.000 0.655 115 A N 0.735 123.641 122.820 0.143 0.000 2.172 115 A HA 0.049 4.369 4.320 -0.000 0.000 0.216 115 A C 1.648 179.294 177.584 0.103 0.000 1.154 115 A CA 0.939 53.070 52.037 0.157 0.000 0.701 115 A CB -0.391 18.664 19.000 0.093 0.000 0.789 115 A HN 0.315 nan 8.150 nan 0.000 0.465 116 L N -2.003 119.246 121.223 0.044 0.000 2.357 116 L HA 0.106 4.446 4.340 -0.000 0.000 0.211 116 L C 2.778 179.613 176.870 -0.057 0.000 1.075 116 L CA 0.743 55.584 54.840 0.001 0.000 0.830 116 L CB -0.260 41.777 42.059 -0.036 0.000 0.996 116 L HN 0.349 nan 8.230 nan 0.000 0.467 117 A N -0.776 121.980 122.820 -0.106 0.000 2.067 117 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 117 A C 1.824 179.289 177.584 -0.198 0.000 1.156 117 A CA 0.719 52.633 52.037 -0.204 0.000 0.683 117 A CB -0.576 18.276 19.000 -0.247 0.000 0.808 117 A HN 0.505 nan 8.150 nan 0.000 0.455 118 W N -0.483 120.767 121.300 -0.084 0.000 2.494 118 W HA 0.127 4.786 4.660 -0.000 0.000 0.286 118 W C 2.652 179.066 176.519 -0.176 0.000 1.218 118 W CA 0.778 58.064 57.345 -0.099 0.000 1.313 118 W CB 0.102 29.513 29.460 -0.081 0.000 1.105 118 W HN 0.361 nan 8.180 nan 0.000 0.561 119 A N 0.130 122.970 122.820 0.034 0.000 1.858 119 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 119 A C 1.864 179.241 177.584 -0.345 0.000 1.190 119 A CA 1.660 53.528 52.037 -0.281 0.000 0.617 119 A CB -1.169 17.760 19.000 -0.118 0.000 0.827 119 A HN 0.242 nan 8.150 nan 0.000 0.443 120 L N -0.703 120.475 121.223 -0.074 0.000 2.127 120 L HA -0.150 4.190 4.340 -0.000 0.000 0.211 120 L C 2.300 179.172 176.870 0.002 0.000 1.089 120 L CA 1.989 56.846 54.840 0.027 0.000 0.757 120 L CB -0.536 41.522 42.059 -0.001 0.000 0.899 120 L HN 0.452 nan 8.230 nan 0.000 0.434 121 L N -1.859 119.341 121.223 -0.039 0.000 2.056 121 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 121 L C 2.283 179.170 176.870 0.027 0.000 1.078 121 L CA 1.417 56.258 54.840 0.002 0.000 0.749 121 L CB -0.287 41.789 42.059 0.028 0.000 0.901 121 L HN 0.053 nan 8.230 nan 0.000 0.433 122 V N -0.711 119.166 119.914 -0.062 0.000 2.548 122 V HA -0.245 3.875 4.120 -0.000 0.000 0.249 122 V C 2.121 178.242 176.094 0.045 0.000 1.055 122 V CA 1.909 64.168 62.300 -0.067 0.000 1.065 122 V CB -0.585 31.120 31.823 -0.196 0.000 0.681 122 V HN 0.415 nan 8.190 nan 0.000 0.462 123 F N 0.519 120.561 119.950 0.154 0.000 2.367 123 F HA -0.104 4.423 4.527 -0.000 0.000 0.298 123 F C 2.581 178.469 175.800 0.148 0.000 1.094 123 F CA 0.862 58.959 58.000 0.162 0.000 1.409 123 F CB -0.261 38.827 39.000 0.146 0.000 1.064 123 F HN 0.299 nan 8.300 nan 0.000 0.528 124 S N 0.043 115.907 115.700 0.272 0.000 2.527 124 S HA -0.000 4.470 4.470 -0.000 0.000 0.222 124 S C 1.623 176.324 174.600 0.169 0.000 0.985 124 S CA 0.338 58.658 58.200 0.200 0.000 0.921 124 S CB -0.471 62.812 63.200 0.139 0.000 0.772 124 S HN 0.418 nan 8.310 nan 0.000 0.529 125 L N 0.681 122.003 121.223 0.165 0.000 2.249 125 L HA 0.103 4.443 4.340 -0.000 0.000 0.207 125 L C 2.516 179.485 176.870 0.165 0.000 1.090 125 L CA 0.415 55.334 54.840 0.133 0.000 0.802 125 L CB -0.335 41.785 42.059 0.102 0.000 0.947 125 L HN 0.219 nan 8.230 nan 0.000 0.453 126 V N 0.334 120.390 119.914 0.237 0.000 2.261 126 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 126 V C 2.711 178.995 176.094 0.316 0.000 1.047 126 V CA 1.962 64.434 62.300 0.287 0.000 1.015 126 V CB -0.870 31.218 31.823 0.440 0.000 0.642 126 V HN 0.480 nan 8.190 nan 0.000 0.446 127 A N -0.912 122.095 122.820 0.311 0.000 2.070 127 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 127 A C 2.162 179.899 177.584 0.254 0.000 1.159 127 A CA 1.479 53.727 52.037 0.352 0.000 0.656 127 A CB -0.440 18.712 19.000 0.254 0.000 0.800 127 A HN 0.524 nan 8.150 nan 0.000 0.453 128 L N -1.285 120.039 121.223 0.168 0.000 2.375 128 L HA 0.018 4.358 4.340 -0.000 0.000 0.215 128 L C 2.383 179.296 176.870 0.072 0.000 1.108 128 L CA 0.805 55.699 54.840 0.091 0.000 0.830 128 L CB 0.120 42.228 42.059 0.082 0.000 0.959 128 L HN 0.285 nan 8.230 nan 0.000 0.457 129 S N -1.342 114.423 115.700 0.108 0.000 2.456 129 S HA -0.084 4.386 4.470 -0.000 0.000 0.224 129 S C 1.718 176.365 174.600 0.079 0.000 1.035 129 S CA 0.187 58.436 58.200 0.081 0.000 0.940 129 S CB -0.007 63.235 63.200 0.069 0.000 0.799 129 S HN 0.545 nan 8.310 nan 0.000 0.508 130 Y N 2.247 122.571 120.300 0.041 0.000 2.373 130 Y HA 0.159 4.709 4.550 -0.000 0.000 0.293 130 Y C -1.426 174.460 175.900 -0.024 0.000 1.129 130 Y CA 0.599 58.723 58.100 0.039 0.000 1.226 130 Y CB -1.792 36.738 38.460 0.117 0.000 1.000 130 Y HN 0.173 nan 8.280 nan 0.000 0.549 131 P HA -0.045 nan 4.420 nan 0.000 0.215 131 P C 1.987 179.036 177.300 -0.419 0.000 1.157 131 P CA 2.584 65.219 63.100 -0.774 0.000 0.863 131 P CB -0.379 30.932 31.700 -0.649 0.000 0.787 132 G N -0.347 108.280 108.800 -0.288 0.000 2.432 132 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.219 132 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.219 132 G C 1.439 176.212 174.900 -0.211 0.000 1.135 132 G CA 0.469 45.376 45.100 -0.321 0.000 0.767 132 G HN 0.224 nan 8.290 nan 0.000 0.550 133 L N 0.271 121.433 121.223 -0.102 0.000 2.270 133 L HA 0.141 4.481 4.340 -0.000 0.000 0.210 133 L C 3.236 180.109 176.870 0.006 0.000 1.104 133 L CA 0.567 55.396 54.840 -0.019 0.000 0.804 133 L CB -0.197 41.882 42.059 0.033 0.000 0.937 133 L HN 0.286 nan 8.230 nan 0.000 0.450 134 A N 0.292 123.099 122.820 -0.022 0.000 1.969 134 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 134 A C 2.192 179.782 177.584 0.009 0.000 1.169 134 A CA 1.191 53.265 52.037 0.062 0.000 0.635 134 A CB -0.317 18.706 19.000 0.038 0.000 0.810 134 A HN 0.330 nan 8.150 nan 0.000 0.445 135 L N -1.231 119.833 121.223 -0.266 0.000 2.062 135 L HA -0.035 4.305 4.340 -0.000 0.000 0.202 135 L C 3.014 179.846 176.870 -0.063 0.000 1.079 135 L CA 1.011 55.504 54.840 -0.578 0.000 0.755 135 L CB -0.870 40.472 42.059 -1.195 0.000 0.913 135 L HN 0.361 nan 8.230 nan 0.000 0.445 136 A N 0.331 123.126 122.820 -0.042 0.000 2.131 136 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 136 A C 2.121 179.786 177.584 0.135 0.000 1.158 136 A CA 1.673 53.772 52.037 0.104 0.000 0.665 136 A CB -0.858 18.176 19.000 0.057 0.000 0.795 136 A HN 0.397 nan 8.150 nan 0.000 0.460 137 V N -2.435 117.551 119.914 0.121 0.000 3.217 137 V HA -0.038 4.082 4.120 -0.000 0.000 0.264 137 V C 0.396 176.571 176.094 0.135 0.000 1.135 137 V CA 1.019 63.388 62.300 0.115 0.000 1.142 137 V CB -1.334 30.554 31.823 0.108 0.000 0.754 137 V HN 0.547 nan 8.190 nan 0.000 0.484 138 N N 1.486 120.307 118.700 0.202 0.000 2.968 138 N HA 0.432 5.172 4.740 -0.000 0.000 0.271 138 N C 0.598 176.219 175.510 0.184 0.000 1.174 138 N CA -0.184 52.991 53.050 0.208 0.000 1.096 138 N CB 0.560 39.256 38.487 0.349 0.000 1.403 138 N HN 0.368 nan 8.380 nan 0.000 0.522 139 L N 0.825 122.115 121.223 0.111 0.000 2.633 139 L HA -0.119 4.221 4.340 -0.000 0.000 0.235 139 L C 1.454 178.344 176.870 0.033 0.000 1.163 139 L CA 0.819 55.708 54.840 0.082 0.000 0.859 139 L CB -0.595 41.498 42.059 0.057 0.000 0.973 139 L HN 0.624 nan 8.230 nan 0.000 0.451 140 N N -0.800 117.905 118.700 0.009 0.000 2.415 140 N HA -0.041 4.699 4.740 -0.000 0.000 0.176 140 N C 0.568 176.010 175.510 -0.115 0.000 1.042 140 N CA -0.049 52.963 53.050 -0.063 0.000 0.902 140 N CB 0.138 38.577 38.487 -0.081 0.000 0.986 140 N HN 0.079 nan 8.380 nan 0.000 0.447 141 R N 1.382 121.847 120.500 -0.057 0.000 2.248 141 R HA 0.169 4.509 4.340 -0.000 0.000 0.337 141 R C -1.917 174.353 176.300 -0.050 0.000 1.106 141 R CA -1.623 54.396 56.100 -0.136 0.000 0.959 141 R CB 0.687 30.860 30.300 -0.211 0.000 1.075 141 R HN 0.218 nan 8.270 nan 0.000 0.480 142 P HA -0.078 nan 4.420 nan 0.000 0.222 142 P C 1.038 178.447 177.300 0.182 0.000 1.147 142 P CA 0.963 64.099 63.100 0.060 0.000 0.790 142 P CB 0.275 32.005 31.700 0.049 0.000 0.780 143 L N -3.167 118.165 121.223 0.181 0.000 2.341 143 L HA 0.026 4.366 4.340 -0.000 0.000 0.214 143 L C 0.789 177.953 176.870 0.490 0.000 1.115 143 L CA 0.412 55.437 54.840 0.308 0.000 0.820 143 L CB -0.499 41.718 42.059 0.263 0.000 0.944 143 L HN 0.047 nan 8.230 nan 0.000 0.452 144 W N 3.131 124.579 121.300 0.247 0.000 1.496 144 W HA 0.163 4.823 4.660 -0.000 0.000 0.422 144 W C 0.877 177.496 176.519 0.166 0.000 0.638 144 W CA -1.479 55.976 57.345 0.184 0.000 2.105 144 W CB -1.430 28.115 29.460 0.141 0.000 1.639 144 W HN 0.311 nan 8.180 nan 0.000 0.304 145 N N -1.402 117.559 118.700 0.436 0.000 2.374 145 N HA 0.295 5.035 4.740 -0.000 0.000 0.284 145 N C 1.645 177.303 175.510 0.247 0.000 1.280 145 N CA -0.042 53.190 53.050 0.303 0.000 0.963 145 N CB 0.513 39.165 38.487 0.276 0.000 1.141 145 N HN 0.051 nan 8.380 nan 0.000 0.565 146 G N 0.094 109.008 108.800 0.190 0.000 2.503 146 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.221 146 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.221 146 G C 1.328 176.320 174.900 0.155 0.000 1.131 146 G CA 0.491 45.679 45.100 0.148 0.000 0.756 146 G HN 0.516 nan 8.290 nan 0.000 0.572 147 L N 0.158 121.502 121.223 0.201 0.000 2.353 147 L HA -0.058 4.282 4.340 -0.000 0.000 0.220 147 L C 2.761 179.733 176.870 0.170 0.000 1.133 147 L CA 0.451 55.408 54.840 0.195 0.000 0.798 147 L CB -0.174 42.054 42.059 0.282 0.000 0.922 147 L HN 0.230 nan 8.230 nan 0.000 0.445 148 M N -1.080 118.620 119.600 0.167 0.000 2.279 148 M HA -0.137 4.343 4.480 -0.000 0.000 0.264 148 M C 2.329 178.716 176.300 0.146 0.000 1.062 148 M CA 1.498 56.892 55.300 0.157 0.000 1.099 148 M CB -1.227 31.371 32.600 -0.004 0.000 1.394 148 M HN 0.257 nan 8.290 nan 0.000 0.426 149 A N -0.400 122.479 122.820 0.099 0.000 2.167 149 A HA 0.219 4.539 4.320 -0.000 0.000 0.214 149 A C 2.294 179.940 177.584 0.103 0.000 1.151 149 A CA 1.429 53.514 52.037 0.080 0.000 0.735 149 A CB -0.825 18.209 19.000 0.058 0.000 0.802 149 A HN 0.515 nan 8.150 nan 0.000 0.467 150 G N -0.848 108.025 108.800 0.122 0.000 2.641 150 G HA2 0.128 4.088 3.960 -0.000 0.000 0.207 150 G HA3 0.128 4.088 3.960 -0.000 0.000 0.207 150 G C 1.396 176.357 174.900 0.102 0.000 1.137 150 G CA 0.328 45.490 45.100 0.103 0.000 0.824 150 G HN 0.323 nan 8.290 nan 0.000 0.547 151 L N -0.346 120.955 121.223 0.130 0.000 2.093 151 L HA 0.067 4.407 4.340 -0.000 0.000 0.208 151 L C 2.575 179.444 176.870 -0.003 0.000 1.085 151 L CA 0.835 55.708 54.840 0.056 0.000 0.755 151 L CB -0.304 41.782 42.059 0.044 0.000 0.904 151 L HN 0.115 nan 8.230 nan 0.000 0.435 152 F N -0.134 119.801 119.950 -0.025 0.000 2.187 152 F HA -0.024 4.503 4.527 -0.000 0.000 0.295 152 F C -0.225 175.558 175.800 -0.029 0.000 1.091 152 F CA 0.861 58.844 58.000 -0.028 0.000 1.308 152 F CB -1.697 37.286 39.000 -0.028 0.000 1.030 152 F HN 0.039 nan 8.300 nan 0.000 0.487 153 P HA -0.130 nan 4.420 nan 0.000 0.216 153 P C 1.939 179.249 177.300 0.017 0.000 1.153 153 P CA 1.472 64.608 63.100 0.061 0.000 0.848 153 P CB -0.009 31.728 31.700 0.062 0.000 0.787 154 L N -1.775 119.452 121.223 0.006 0.000 2.141 154 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 154 L C 2.354 179.191 176.870 -0.055 0.000 1.094 154 L CA 1.475 56.305 54.840 -0.017 0.000 0.763 154 L CB -1.124 40.930 42.059 -0.008 0.000 0.908 154 L HN 0.033 nan 8.230 nan 0.000 0.437 155 T N -0.933 113.559 114.554 -0.103 0.000 2.985 155 T HA 0.016 4.366 4.350 -0.000 0.000 0.266 155 T C 1.854 176.477 174.700 -0.129 0.000 1.076 155 T CA 0.962 62.966 62.100 -0.160 0.000 1.135 155 T CB 0.103 68.792 68.868 -0.299 0.000 0.890 155 T HN 0.406 nan 8.240 nan 0.000 0.480 156 A N 0.752 123.520 122.820 -0.088 0.000 2.015 156 A HA 0.121 4.441 4.320 -0.000 0.000 0.219 156 A C 2.132 179.696 177.584 -0.032 0.000 1.163 156 A CA 0.959 52.965 52.037 -0.052 0.000 0.646 156 A CB -0.497 18.493 19.000 -0.016 0.000 0.806 156 A HN 0.512 nan 8.150 nan 0.000 0.448 157 L N -0.786 120.420 121.223 -0.028 0.000 2.095 157 L HA -0.086 4.254 4.340 -0.000 0.000 0.204 157 L C 2.423 179.273 176.870 -0.033 0.000 1.080 157 L CA 0.688 55.519 54.840 -0.015 0.000 0.759 157 L CB -0.510 41.543 42.059 -0.009 0.000 0.914 157 L HN 0.205 nan 8.230 nan 0.000 0.439 158 V N 0.347 120.226 119.914 -0.058 0.000 2.392 158 V HA -0.287 3.833 4.120 -0.000 0.000 0.249 158 V C 2.397 178.437 176.094 -0.090 0.000 1.059 158 V CA 1.574 63.827 62.300 -0.079 0.000 1.051 158 V CB -0.445 31.321 31.823 -0.095 0.000 0.658 158 V HN 0.350 nan 8.190 nan 0.000 0.455 159 L N -0.069 121.103 121.223 -0.085 0.000 2.027 159 L HA -0.107 4.233 4.340 -0.000 0.000 0.206 159 L C 2.778 179.609 176.870 -0.065 0.000 1.074 159 L CA 1.562 56.350 54.840 -0.087 0.000 0.745 159 L CB -0.844 41.169 42.059 -0.078 0.000 0.898 159 L HN 0.355 nan 8.230 nan 0.000 0.433 160 A N 0.210 123.017 122.820 -0.022 0.000 1.877 160 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 160 A C 2.220 179.826 177.584 0.036 0.000 1.186 160 A CA 1.416 53.472 52.037 0.031 0.000 0.620 160 A CB -0.713 18.331 19.000 0.073 0.000 0.822 160 A HN 0.352 nan 8.150 nan 0.000 0.443 161 L N -0.748 120.481 121.223 0.009 0.000 2.156 161 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 161 L C 2.744 179.558 176.870 -0.094 0.000 1.095 161 L CA 0.795 55.629 54.840 -0.009 0.000 0.770 161 L CB -0.592 41.465 42.059 -0.003 0.000 0.914 161 L HN 0.496 nan 8.230 nan 0.000 0.439 162 G N -0.158 108.567 108.800 -0.125 0.000 2.408 162 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 162 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 162 G C 1.573 176.318 174.900 -0.260 0.000 1.150 162 G CA 0.216 45.193 45.100 -0.204 0.000 0.776 162 G HN 0.201 nan 8.290 nan 0.000 0.542 163 L N 0.664 121.770 121.223 -0.195 0.000 2.044 163 L HA 0.063 4.403 4.340 -0.000 0.000 0.205 163 L C 3.155 179.938 176.870 -0.145 0.000 1.075 163 L CA 1.768 56.488 54.840 -0.201 0.000 0.747 163 L CB -0.741 41.239 42.059 -0.131 0.000 0.903 163 L HN 0.316 nan 8.230 nan 0.000 0.435 164 A N 0.054 122.852 122.820 -0.036 0.000 1.948 164 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 164 A C 2.355 179.822 177.584 -0.195 0.000 1.177 164 A CA 1.951 53.995 52.037 0.011 0.000 0.636 164 A CB -0.756 18.223 19.000 -0.036 0.000 0.815 164 A HN 0.583 nan 8.150 nan 0.000 0.449 165 A N -0.891 121.787 122.820 -0.237 0.000 2.067 165 A HA 0.189 4.509 4.320 -0.000 0.000 0.217 165 A C 2.073 179.521 177.584 -0.226 0.000 1.156 165 A CA 1.068 52.955 52.037 -0.251 0.000 0.683 165 A CB -0.392 18.474 19.000 -0.224 0.000 0.808 165 A HN 0.465 nan 8.150 nan 0.000 0.455 166 L N -0.594 120.475 121.223 -0.257 0.000 2.131 166 L HA -0.017 4.323 4.340 -0.000 0.000 0.206 166 L C 1.735 178.511 176.870 -0.156 0.000 1.087 166 L CA 0.620 55.306 54.840 -0.256 0.000 0.767 166 L CB -0.330 41.482 42.059 -0.412 0.000 0.917 166 L HN 0.334 nan 8.230 nan 0.000 0.441 167 L N -0.139 120.997 121.223 -0.144 0.000 2.675 167 L HA -0.035 4.305 4.340 -0.000 0.000 0.238 167 L C 0.618 177.445 176.870 -0.072 0.000 1.155 167 L CA 0.064 54.853 54.840 -0.086 0.000 0.881 167 L CB -0.361 41.661 42.059 -0.061 0.000 1.008 167 L HN 0.242 nan 8.230 nan 0.000 0.443 168 K N -0.908 119.423 120.400 -0.115 0.000 3.209 168 K HA -0.139 4.181 4.320 -0.000 0.000 0.289 168 K C 0.182 176.681 176.600 -0.170 0.000 1.191 168 K CA 0.407 56.621 56.287 -0.121 0.000 0.851 168 K CB -2.190 30.269 32.500 -0.069 0.000 1.242 168 K HN 0.294 nan 8.250 nan 0.000 0.480 169 S N 1.639 117.176 115.700 -0.273 0.000 2.516 169 S HA 0.148 4.618 4.470 -0.000 0.000 0.282 169 S C -1.048 173.163 174.600 -0.649 0.000 1.286 169 S CA -1.023 56.865 58.200 -0.520 0.000 1.066 169 S CB 1.116 63.755 63.200 -0.935 0.000 0.884 169 S HN 0.059 nan 8.310 nan 0.000 0.491 170 P HA -0.034 nan 4.420 nan 0.000 0.219 170 P C 0.206 177.400 177.300 -0.177 0.000 1.150 170 P CA 0.611 63.576 63.100 -0.225 0.000 0.814 170 P CB 0.020 31.691 31.700 -0.048 0.000 0.787 171 W N -0.576 120.735 121.300 0.019 0.000 2.433 171 W HA 0.658 5.318 4.660 -0.000 0.000 0.331 171 W C -0.096 176.428 176.519 0.009 0.000 1.110 171 W CA -0.434 56.925 57.345 0.023 0.000 1.450 171 W CB 0.041 29.495 29.460 -0.010 0.000 1.348 171 W HN 0.065 nan 8.180 nan 0.000 0.415 172 A N 2.777 125.664 122.820 0.111 0.000 2.973 172 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 172 A C 0.898 178.473 177.584 -0.015 0.000 2.234 172 A CA 0.235 52.285 52.037 0.022 0.000 1.408 172 A CB -1.122 17.649 19.000 -0.381 0.000 0.698 172 A HN 0.523 nan 8.150 nan 0.000 0.460 173 L N -0.013 121.190 121.223 -0.034 0.000 2.456 173 L HA 0.232 4.572 4.340 -0.000 0.000 0.224 173 L C 1.657 178.600 176.870 0.121 0.000 1.148 173 L CA 2.541 57.383 54.840 0.003 0.000 0.825 173 L CB -0.466 41.587 42.059 -0.011 0.000 0.937 173 L HN 0.615 nan 8.230 nan 0.000 0.450 174 F N 1.166 121.133 119.950 0.027 0.000 2.243 174 F HA 0.232 4.759 4.527 -0.000 0.000 0.287 174 F C -0.784 175.059 175.800 0.072 0.000 1.067 174 F CA -0.136 57.899 58.000 0.059 0.000 1.304 174 F CB -1.642 37.395 39.000 0.060 0.000 1.087 174 F HN 0.047 nan 8.300 nan 0.000 0.513 175 P HA -0.187 nan 4.420 nan 0.000 0.218 175 P C 2.110 179.314 177.300 -0.161 0.000 1.148 175 P CA 1.370 64.312 63.100 -0.262 0.000 0.822 175 P CB -0.295 31.384 31.700 -0.035 0.000 0.784 176 L N 0.094 121.269 121.223 -0.080 0.000 2.079 176 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 176 L C 2.486 179.322 176.870 -0.057 0.000 1.081 176 L CA 1.839 56.637 54.840 -0.071 0.000 0.752 176 L CB -0.770 41.241 42.059 -0.081 0.000 0.896 176 L HN -0.217 nan 8.230 nan 0.000 0.433 177 R N -1.340 119.150 120.500 -0.015 0.000 2.119 177 R HA -0.013 4.327 4.340 -0.000 0.000 0.222 177 R C 2.084 178.508 176.300 0.207 0.000 1.088 177 R CA 1.145 57.348 56.100 0.173 0.000 0.984 177 R CB -0.365 30.124 30.300 0.315 0.000 0.884 177 R HN 0.312 nan 8.270 nan 0.000 0.447 178 V N 1.591 121.460 119.914 -0.074 0.000 2.244 178 V HA -0.202 3.918 4.120 -0.000 0.000 0.244 178 V C 2.274 178.351 176.094 -0.028 0.000 1.042 178 V CA 1.608 63.838 62.300 -0.117 0.000 1.006 178 V CB -0.390 31.235 31.823 -0.331 0.000 0.641 178 V HN 0.256 nan 8.190 nan 0.000 0.446 179 L N 0.086 121.278 121.223 -0.053 0.000 2.201 179 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 179 L C 2.550 179.426 176.870 0.009 0.000 1.105 179 L CA 1.274 56.100 54.840 -0.023 0.000 0.775 179 L CB -0.655 41.380 42.059 -0.039 0.000 0.913 179 L HN 0.378 nan 8.230 nan 0.000 0.440 180 A N -0.012 122.828 122.820 0.033 0.000 2.021 180 A HA 0.045 4.365 4.320 -0.000 0.000 0.216 180 A C 2.365 180.062 177.584 0.188 0.000 1.163 180 A CA 1.133 53.193 52.037 0.039 0.000 0.676 180 A CB -0.735 18.217 19.000 -0.080 0.000 0.818 180 A HN 0.393 nan 8.150 nan 0.000 0.453 181 G N -0.248 108.738 108.800 0.309 0.000 2.394 181 G HA2 0.075 4.035 3.960 -0.000 0.000 0.215 181 G HA3 0.075 4.035 3.960 -0.000 0.000 0.215 181 G C 1.713 176.686 174.900 0.121 0.000 1.165 181 G CA 1.251 46.521 45.100 0.283 0.000 0.784 181 G HN 0.671 nan 8.290 nan 0.000 0.535 182 A N 1.144 124.010 122.820 0.076 0.000 1.845 182 A HA -0.017 4.303 4.320 -0.000 0.000 0.215 182 A C 2.714 180.329 177.584 0.052 0.000 1.195 182 A CA 2.368 54.434 52.037 0.049 0.000 0.616 182 A CB -0.863 18.153 19.000 0.028 0.000 0.832 182 A HN 0.309 nan 8.150 nan 0.000 0.443 183 S N 0.116 115.839 115.700 0.037 0.000 2.370 183 S HA -0.146 4.324 4.470 -0.000 0.000 0.226 183 S C 1.769 176.389 174.600 0.034 0.000 1.033 183 S CA 1.725 59.934 58.200 0.015 0.000 1.011 183 S CB -0.526 62.657 63.200 -0.028 0.000 0.852 183 S HN 0.475 nan 8.310 nan 0.000 0.457 184 L N 0.381 121.643 121.223 0.064 0.000 2.240 184 L HA 0.029 4.369 4.340 -0.000 0.000 0.211 184 L C 2.264 179.192 176.870 0.096 0.000 1.106 184 L CA 0.319 55.205 54.840 0.078 0.000 0.793 184 L CB -0.401 41.730 42.059 0.121 0.000 0.927 184 L HN 0.236 nan 8.230 nan 0.000 0.446 185 L N -0.003 121.276 121.223 0.093 0.000 2.023 185 L HA -0.129 4.211 4.340 -0.000 0.000 0.205 185 L C 2.290 179.226 176.870 0.110 0.000 1.073 185 L CA 1.690 56.584 54.840 0.090 0.000 0.745 185 L CB -0.389 41.711 42.059 0.068 0.000 0.900 185 L HN 0.084 nan 8.230 nan 0.000 0.435 186 L N -0.523 120.764 121.223 0.106 0.000 2.131 186 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 186 L C 2.611 179.600 176.870 0.198 0.000 1.092 186 L CA 1.187 56.108 54.840 0.136 0.000 0.759 186 L CB -1.231 40.893 42.059 0.109 0.000 0.903 186 L HN 0.383 nan 8.230 nan 0.000 0.435 187 A N 0.190 123.112 122.820 0.170 0.000 1.969 187 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 187 A C 2.234 180.053 177.584 0.391 0.000 1.169 187 A CA 1.305 53.487 52.037 0.243 0.000 0.635 187 A CB -0.437 18.597 19.000 0.058 0.000 0.810 187 A HN 0.353 nan 8.150 nan 0.000 0.445 188 L N -0.592 120.790 121.223 0.264 0.000 2.179 188 L HA 0.079 4.419 4.340 -0.000 0.000 0.208 188 L C 1.820 178.827 176.870 0.229 0.000 1.096 188 L CA 1.467 56.461 54.840 0.256 0.000 0.779 188 L CB -0.224 41.931 42.059 0.161 0.000 0.922 188 L HN 0.358 nan 8.230 nan 0.000 0.443 189 L N -1.893 119.456 121.223 0.209 0.000 2.558 189 L HA -0.030 4.310 4.340 -0.000 0.000 0.225 189 L C 2.192 179.179 176.870 0.195 0.000 1.128 189 L CA 0.123 55.061 54.840 0.163 0.000 0.868 189 L CB -0.854 41.285 42.059 0.134 0.000 1.006 189 L HN 0.276 nan 8.230 nan 0.000 0.454 190 Y N 2.901 123.297 120.300 0.160 0.000 2.097 190 Y HA -0.146 4.404 4.550 -0.000 0.000 0.282 190 Y C -0.542 175.419 175.900 0.101 0.000 1.152 190 Y CA 1.468 59.664 58.100 0.160 0.000 1.136 190 Y CB -1.575 37.031 38.460 0.244 0.000 0.975 190 Y HN 0.102 nan 8.280 nan 0.000 0.498 191 P HA -0.145 nan 4.420 nan 0.000 0.219 191 P C 1.483 178.634 177.300 -0.248 0.000 1.146 191 P CA 1.712 64.540 63.100 -0.454 0.000 0.808 191 P CB -0.183 31.361 31.700 -0.261 0.000 0.779 192 L N -2.207 118.946 121.223 -0.117 0.000 2.552 192 L HA 0.014 4.354 4.340 -0.000 0.000 0.227 192 L C 1.880 178.726 176.870 -0.039 0.000 1.146 192 L CA 0.975 55.784 54.840 -0.051 0.000 0.858 192 L CB -0.825 41.235 42.059 0.001 0.000 0.969 192 L HN -0.026 nan 8.230 nan 0.000 0.451 193 T N -0.102 114.412 114.554 -0.068 0.000 3.086 193 T HA 0.275 4.625 4.350 -0.000 0.000 0.250 193 T C 0.644 175.323 174.700 -0.035 0.000 1.074 193 T CA 0.017 62.108 62.100 -0.014 0.000 0.988 193 T CB 0.037 68.941 68.868 0.060 0.000 0.988 193 T HN 0.000 nan 8.240 nan 0.000 0.530 194 L N 2.009 123.171 121.223 -0.102 0.000 2.344 194 L HA 0.489 4.829 4.340 -0.000 0.000 0.272 194 L C -2.206 174.655 176.870 -0.015 0.000 1.035 194 L CA -2.636 52.165 54.840 -0.064 0.000 0.807 194 L CB 1.007 42.983 42.059 -0.138 0.000 1.237 194 L HN -0.123 nan 8.230 nan 0.000 0.442 195 P HA 0.091 nan 4.420 nan 0.000 0.269 195 P C -2.146 175.175 177.300 0.035 0.000 1.209 195 P CA -1.065 62.055 63.100 0.033 0.000 0.776 195 P CB 0.102 31.831 31.700 0.049 0.000 0.876 196 P HA -0.249 nan 4.420 nan 0.000 0.217 196 P C 1.020 178.346 177.300 0.043 0.000 1.158 196 P CA 1.804 64.917 63.100 0.022 0.000 0.887 196 P CB -0.067 31.646 31.700 0.022 0.000 0.792 197 E N -0.527 119.724 120.200 0.085 0.000 2.150 197 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 197 E C 2.042 178.762 176.600 0.200 0.000 0.985 197 E CA 1.406 57.891 56.400 0.142 0.000 0.814 197 E CB -1.242 28.569 29.700 0.185 0.000 0.752 197 E HN 0.222 nan 8.360 nan 0.000 0.466 198 A N 1.248 124.204 122.820 0.227 0.000 1.898 198 A HA -0.080 4.240 4.320 -0.000 0.000 0.214 198 A C 2.198 179.805 177.584 0.038 0.000 1.183 198 A CA 1.365 53.552 52.037 0.251 0.000 0.622 198 A CB -0.407 18.779 19.000 0.311 0.000 0.824 198 A HN 0.169 nan 8.150 nan 0.000 0.444 199 R N -0.257 120.236 120.500 -0.011 0.000 2.081 199 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 199 R C 2.144 178.391 176.300 -0.088 0.000 1.131 199 R CA 1.719 57.765 56.100 -0.091 0.000 0.960 199 R CB -0.728 29.515 30.300 -0.095 0.000 0.856 199 R HN 0.403 nan 8.270 nan 0.000 0.436 200 G N -0.511 108.260 108.800 -0.048 0.000 2.422 200 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.218 200 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.218 200 G C 1.232 176.070 174.900 -0.105 0.000 1.140 200 G CA 1.150 46.217 45.100 -0.056 0.000 0.775 200 G HN 0.549 nan 8.290 nan 0.000 0.545 201 H N -0.050 118.860 119.070 -0.267 0.000 2.333 201 H HA 0.056 4.612 4.556 -0.000 0.000 0.302 201 H C 2.341 177.451 175.328 -0.363 0.000 1.075 201 H CA 1.367 57.129 56.048 -0.478 0.000 1.348 201 H CB -0.258 28.840 29.762 -1.106 0.000 1.393 201 H HN 0.180 nan 8.280 nan 0.000 0.509 202 L N 0.363 121.422 121.223 -0.273 0.000 2.013 202 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 202 L C 2.111 178.861 176.870 -0.201 0.000 1.073 202 L CA 1.708 56.420 54.840 -0.214 0.000 0.753 202 L CB -0.726 41.259 42.059 -0.122 0.000 0.890 202 L HN 0.426 nan 8.230 nan 0.000 0.432 203 L N -0.904 120.218 121.223 -0.170 0.000 2.017 203 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 203 L C 2.540 179.347 176.870 -0.103 0.000 1.073 203 L CA 1.678 56.453 54.840 -0.109 0.000 0.745 203 L CB -0.700 41.308 42.059 -0.086 0.000 0.894 203 L HN 0.359 nan 8.230 nan 0.000 0.432 204 E N -0.061 120.045 120.200 -0.157 0.000 2.023 204 E HA -0.218 4.132 4.350 -0.000 0.000 0.196 204 E C 2.153 178.661 176.600 -0.153 0.000 1.003 204 E CA 1.425 57.736 56.400 -0.148 0.000 0.809 204 E CB 0.019 29.616 29.700 -0.171 0.000 0.755 204 E HN 0.401 nan 8.360 nan 0.000 0.449 205 E N 0.035 120.066 120.200 -0.281 0.000 2.150 205 E HA -0.047 4.303 4.350 -0.000 0.000 0.193 205 E C 0.817 177.404 176.600 -0.021 0.000 0.985 205 E CA 0.877 57.148 56.400 -0.216 0.000 0.814 205 E CB 0.213 29.654 29.700 -0.431 0.000 0.752 205 E HN 0.210 nan 8.360 nan 0.000 0.466 206 A N -0.862 121.968 122.820 0.016 0.000 3.891 206 A HA 0.685 5.005 4.320 -0.000 0.000 0.173 206 A C 1.031 178.738 177.584 0.205 0.000 0.735 206 A CA 0.367 52.536 52.037 0.220 0.000 0.892 206 A CB 0.482 19.635 19.000 0.256 0.000 1.601 206 A HN 0.186 nan 8.150 nan 0.000 0.796 207 G N -0.917 108.051 108.800 0.280 0.000 3.675 207 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.275 207 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.275 207 G C 1.150 176.183 174.900 0.221 0.000 1.648 207 G CA 1.080 46.318 45.100 0.230 0.000 1.093 207 G HN 1.899 nan 8.290 nan 0.000 0.617 208 F N 1.267 121.188 119.950 -0.049 0.000 2.178 208 F HA -0.233 4.294 4.527 -0.000 0.000 0.299 208 F C 2.200 177.760 175.800 -0.400 0.000 1.045 208 F CA 3.047 60.907 58.000 -0.233 0.000 1.307 208 F CB -0.266 38.523 39.000 -0.351 0.000 1.060 208 F HN 0.437 nan 8.300 nan 0.000 0.506 209 W N -1.911 119.414 121.300 0.042 0.000 2.481 209 W HA -0.061 4.599 4.660 -0.000 0.000 0.293 209 W C 2.371 178.673 176.519 -0.361 0.000 1.201 209 W CA 0.875 58.072 57.345 -0.245 0.000 1.328 209 W CB -0.991 28.484 29.460 0.025 0.000 1.112 209 W HN 0.058 nan 8.180 nan 0.000 0.546 210 Y N 0.922 121.317 120.300 0.160 0.000 2.070 210 Y HA -0.192 4.358 4.550 -0.000 0.000 0.280 210 Y C 2.492 178.432 175.900 0.067 0.000 1.148 210 Y CA 2.425 60.653 58.100 0.213 0.000 1.125 210 Y CB -0.929 37.657 38.460 0.211 0.000 0.975 210 Y HN -0.086 nan 8.280 nan 0.000 0.492 211 G N -0.280 108.614 108.800 0.157 0.000 2.462 211 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.220 211 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.220 211 G C 1.557 176.351 174.900 -0.176 0.000 1.121 211 G CA 1.052 46.157 45.100 0.009 0.000 0.758 211 G HN 0.455 nan 8.290 nan 0.000 0.559 212 L N -0.999 119.991 121.223 -0.390 0.000 2.179 212 L HA 0.282 4.622 4.340 -0.000 0.000 0.208 212 L C 2.235 178.960 176.870 -0.241 0.000 1.096 212 L CA 1.218 55.779 54.840 -0.465 0.000 0.779 212 L CB -0.276 41.313 42.059 -0.783 0.000 0.922 212 L HN 0.116 nan 8.230 nan 0.000 0.443 213 F N -0.727 119.187 119.950 -0.060 0.000 2.367 213 F HA -0.033 4.494 4.527 -0.000 0.000 0.298 213 F C 2.135 177.871 175.800 -0.106 0.000 1.094 213 F CA 0.754 58.714 58.000 -0.067 0.000 1.409 213 F CB -0.733 38.211 39.000 -0.092 0.000 1.064 213 F HN 0.013 nan 8.300 nan 0.000 0.528 214 L N -0.884 120.362 121.223 0.038 0.000 2.005 214 L HA -0.211 4.129 4.340 -0.000 0.000 0.207 214 L C 2.472 179.366 176.870 0.039 0.000 1.072 214 L CA 1.127 55.975 54.840 0.013 0.000 0.744 214 L CB -0.803 41.267 42.059 0.019 0.000 0.895 214 L HN 0.111 nan 8.230 nan 0.000 0.433 215 L N -0.624 120.605 121.223 0.010 0.000 1.970 215 L HA -0.287 4.053 4.340 -0.000 0.000 0.212 215 L C 2.670 179.567 176.870 0.045 0.000 1.071 215 L CA 1.268 56.115 54.840 0.013 0.000 0.751 215 L CB -0.631 41.406 42.059 -0.037 0.000 0.889 215 L HN 0.312 nan 8.230 nan 0.000 0.432 216 L N 0.150 121.407 121.223 0.056 0.000 2.011 216 L HA -0.289 4.051 4.340 -0.000 0.000 0.225 216 L C 2.464 179.379 176.870 0.076 0.000 1.084 216 L CA 2.408 57.307 54.840 0.097 0.000 0.791 216 L CB -1.436 40.732 42.059 0.182 0.000 0.898 216 L HN 0.430 nan 8.230 nan 0.000 0.440 217 G N -0.885 107.948 108.800 0.055 0.000 2.501 217 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 217 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 217 G C 1.583 176.440 174.900 -0.072 0.000 1.114 217 G CA 0.316 45.404 45.100 -0.020 0.000 0.757 217 G HN 0.370 nan 8.290 nan 0.000 0.559 218 L N 0.459 121.708 121.223 0.042 0.000 2.376 218 L HA 0.081 4.421 4.340 -0.000 0.000 0.219 218 L C 2.783 179.718 176.870 0.107 0.000 1.133 218 L CA 0.549 55.476 54.840 0.145 0.000 0.816 218 L CB -0.164 42.000 42.059 0.175 0.000 0.933 218 L HN 0.314 nan 8.230 nan 0.000 0.449 219 G N -1.037 107.810 108.800 0.078 0.000 2.848 219 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.208 219 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.208 219 G C 1.336 176.249 174.900 0.023 0.000 1.152 219 G CA 0.437 45.653 45.100 0.193 0.000 0.789 219 G HN 0.243 nan 8.290 nan 0.000 0.531 220 T N 0.421 114.802 114.554 -0.289 0.000 3.055 220 T HA 0.049 4.399 4.350 -0.000 0.000 0.265 220 T C 1.311 175.728 174.700 -0.472 0.000 1.111 220 T CA 0.416 62.231 62.100 -0.474 0.000 1.118 220 T CB -0.237 68.193 68.868 -0.729 0.000 0.909 220 T HN 0.424 nan 8.240 nan 0.000 0.501 221 F N -1.296 118.739 119.950 0.141 0.000 2.653 221 F HA 0.362 4.889 4.527 -0.000 0.000 0.304 221 F C 1.303 177.236 175.800 0.222 0.000 1.092 221 F CA -1.277 56.808 58.000 0.142 0.000 1.279 221 F CB 0.337 39.400 39.000 0.105 0.000 1.044 221 F HN 0.164 nan 8.300 nan 0.000 0.564 222 W N 1.473 122.851 121.300 0.130 0.000 4.170 222 W HA 0.310 4.970 4.660 -0.000 0.000 0.499 222 W C 0.205 176.761 176.519 0.063 0.000 3.125 222 W CA 0.028 57.428 57.345 0.092 0.000 1.311 222 W CB -0.886 28.614 29.460 0.066 0.000 2.212 222 W HN -0.234 nan 8.180 nan 0.000 0.427 223 Q N 1.716 121.181 119.800 -0.559 0.000 2.304 223 Q HA 0.068 4.408 4.340 -0.000 0.000 0.260 223 Q C 1.117 176.954 176.000 -0.272 0.000 0.965 223 Q CA 0.415 55.812 55.803 -0.676 0.000 0.898 223 Q CB 1.628 29.615 28.738 -1.251 0.000 1.196 223 Q HN 0.304 nan 8.270 nan 0.000 0.402 224 E N 3.199 123.308 120.200 -0.151 0.000 2.068 224 E HA -0.281 4.069 4.350 -0.000 0.000 0.207 224 E C 0.842 177.387 176.600 -0.091 0.000 1.032 224 E CA 1.865 58.216 56.400 -0.082 0.000 0.839 224 E CB 0.118 29.783 29.700 -0.059 0.000 0.758 224 E HN 0.585 nan 8.360 nan 0.000 0.457 225 R N -0.255 120.186 120.500 -0.100 0.000 2.356 225 R HA 0.135 4.475 4.340 -0.000 0.000 0.234 225 R C 1.281 177.594 176.300 0.021 0.000 0.929 225 R CA -0.001 56.076 56.100 -0.040 0.000 1.084 225 R CB 0.049 30.342 30.300 -0.012 0.000 1.105 225 R HN 0.299 nan 8.270 nan 0.000 0.515 226 L N -1.431 119.756 121.223 -0.061 0.000 2.425 226 L HA 0.188 4.528 4.340 -0.000 0.000 0.215 226 L C 2.388 179.278 176.870 0.033 0.000 1.065 226 L CA 0.429 55.275 54.840 0.010 0.000 0.842 226 L CB -0.295 41.686 42.059 -0.130 0.000 1.033 226 L HN 0.077 nan 8.230 nan 0.000 0.474 227 A N 1.373 124.165 122.820 -0.047 0.000 1.927 227 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 227 A C -0.258 177.254 177.584 -0.121 0.000 1.185 227 A CA 2.071 54.061 52.037 -0.080 0.000 0.639 227 A CB -1.700 17.250 19.000 -0.084 0.000 0.820 227 A HN 0.256 nan 8.150 nan 0.000 0.451 228 P HA -0.048 nan 4.420 nan 0.000 0.224 228 P C 0.929 178.028 177.300 -0.335 0.000 1.157 228 P CA 0.750 63.670 63.100 -0.300 0.000 0.799 228 P CB -0.095 31.340 31.700 -0.441 0.000 0.809 229 W N 0.386 121.640 121.300 -0.076 0.000 2.378 229 W HA -0.060 4.600 4.660 -0.000 0.000 0.313 229 W C 2.641 179.130 176.519 -0.051 0.000 1.197 229 W CA 1.111 58.421 57.345 -0.058 0.000 1.304 229 W CB -1.183 28.248 29.460 -0.048 0.000 1.148 229 W HN -0.159 nan 8.180 nan 0.000 0.494 230 A N 0.630 123.559 122.820 0.182 0.000 1.917 230 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 230 A C 2.187 179.774 177.584 0.006 0.000 1.182 230 A CA 2.218 54.313 52.037 0.096 0.000 0.633 230 A CB -1.579 17.462 19.000 0.068 0.000 0.819 230 A HN 0.357 nan 8.150 nan 0.000 0.448 231 G N -0.729 108.026 108.800 -0.074 0.000 2.408 231 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.217 231 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.217 231 G C 1.562 176.394 174.900 -0.113 0.000 1.150 231 G CA 0.938 45.961 45.100 -0.128 0.000 0.776 231 G HN 0.415 nan 8.290 nan 0.000 0.542 232 L N -0.021 121.139 121.223 -0.105 0.000 2.027 232 L HA 0.060 4.400 4.340 -0.000 0.000 0.206 232 L C 2.839 179.669 176.870 -0.066 0.000 1.074 232 L CA 0.765 55.544 54.840 -0.102 0.000 0.745 232 L CB -0.254 41.729 42.059 -0.126 0.000 0.898 232 L HN 0.172 nan 8.230 nan 0.000 0.433 233 L N -1.103 120.124 121.223 0.008 0.000 2.141 233 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 233 L C 2.758 179.540 176.870 -0.147 0.000 1.094 233 L CA 0.886 55.721 54.840 -0.008 0.000 0.763 233 L CB -0.881 41.254 42.059 0.127 0.000 0.908 233 L HN 0.222 nan 8.230 nan 0.000 0.437 234 A N 0.524 123.292 122.820 -0.087 0.000 1.873 234 A HA -0.087 4.233 4.320 -0.000 0.000 0.215 234 A C 2.570 179.989 177.584 -0.275 0.000 1.186 234 A CA 1.593 53.550 52.037 -0.133 0.000 0.616 234 A CB -0.689 18.289 19.000 -0.036 0.000 0.823 234 A HN 0.353 nan 8.150 nan 0.000 0.442 235 A N -0.444 122.249 122.820 -0.212 0.000 1.972 235 A HA 0.209 4.529 4.320 -0.000 0.000 0.219 235 A C 2.373 179.790 177.584 -0.278 0.000 1.169 235 A CA 2.007 53.906 52.037 -0.230 0.000 0.635 235 A CB -0.700 18.195 19.000 -0.176 0.000 0.810 235 A HN 0.972 nan 8.150 nan 0.000 0.446 236 A N -0.818 121.841 122.820 -0.268 0.000 1.943 236 A HA 0.324 4.644 4.320 -0.000 0.000 0.213 236 A C 2.336 179.705 177.584 -0.359 0.000 1.181 236 A CA 1.378 53.273 52.037 -0.238 0.000 0.653 236 A CB -1.126 17.788 19.000 -0.144 0.000 0.833 236 A HN 0.619 nan 8.150 nan 0.000 0.451 237 G N 0.212 108.607 108.800 -0.676 0.000 2.421 237 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.216 237 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.216 237 G C 1.543 175.989 174.900 -0.757 0.000 1.171 237 G CA 1.090 45.442 45.100 -1.245 0.000 0.775 237 G HN 0.400 nan 8.290 nan 0.000 0.543 238 L N -0.199 120.671 121.223 -0.589 0.000 2.046 238 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 238 L C 3.207 179.953 176.870 -0.205 0.000 1.077 238 L CA 1.029 55.697 54.840 -0.286 0.000 0.747 238 L CB -0.292 41.591 42.059 -0.292 0.000 0.896 238 L HN 0.163 nan 8.230 nan 0.000 0.432 239 R N -0.186 120.132 120.500 -0.303 0.000 2.075 239 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 239 R C 2.406 178.711 176.300 0.009 0.000 1.126 239 R CA 1.325 57.249 56.100 -0.295 0.000 0.963 239 R CB -0.486 29.641 30.300 -0.288 0.000 0.858 239 R HN 0.339 nan 8.270 nan 0.000 0.435 240 A N 1.662 124.471 122.820 -0.018 0.000 1.929 240 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 240 A C 2.082 179.721 177.584 0.092 0.000 1.176 240 A CA 0.880 52.945 52.037 0.047 0.000 0.628 240 A CB -0.373 18.648 19.000 0.035 0.000 0.816 240 A HN 0.253 nan 8.150 nan 0.000 0.444 241 L N -0.222 121.069 121.223 0.113 0.000 2.093 241 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 241 L C 1.941 178.970 176.870 0.265 0.000 1.085 241 L CA 1.692 56.662 54.840 0.215 0.000 0.755 241 L CB -1.255 41.013 42.059 0.348 0.000 0.904 241 L HN 0.338 nan 8.230 nan 0.000 0.435 242 L N -1.239 120.154 121.223 0.283 0.000 2.217 242 L HA -0.089 4.251 4.340 -0.000 0.000 0.211 242 L C 2.453 179.603 176.870 0.466 0.000 1.107 242 L CA 0.459 55.534 54.840 0.392 0.000 0.783 242 L CB -0.379 41.923 42.059 0.405 0.000 0.919 242 L HN 0.115 nan 8.230 nan 0.000 0.442 243 V N -0.100 119.969 119.914 0.259 0.000 2.453 243 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 243 V C 2.215 178.478 176.094 0.282 0.000 1.048 243 V CA 1.443 63.830 62.300 0.144 0.000 1.049 243 V CB -0.148 31.491 31.823 -0.307 0.000 0.672 243 V HN 0.331 nan 8.190 nan 0.000 0.457 244 L N -0.025 121.309 121.223 0.185 0.000 2.095 244 L HA 0.043 4.383 4.340 -0.000 0.000 0.204 244 L C 2.531 179.471 176.870 0.117 0.000 1.080 244 L CA 1.372 56.288 54.840 0.126 0.000 0.759 244 L CB -0.657 41.468 42.059 0.109 0.000 0.914 244 L HN 0.301 nan 8.230 nan 0.000 0.439 245 A N -0.077 122.840 122.820 0.162 0.000 2.169 245 A HA 0.089 4.409 4.320 -0.000 0.000 0.212 245 A C 2.079 179.729 177.584 0.109 0.000 1.153 245 A CA 1.038 53.148 52.037 0.122 0.000 0.756 245 A CB -0.633 18.446 19.000 0.132 0.000 0.813 245 A HN 0.406 nan 8.150 nan 0.000 0.471 246 G N -1.060 107.792 108.800 0.086 0.000 3.042 246 G HA2 0.159 4.119 3.960 -0.000 0.000 0.212 246 G HA3 0.159 4.119 3.960 -0.000 0.000 0.212 246 G C 0.616 174.987 174.900 -0.882 0.000 1.166 246 G CA -0.201 44.669 45.100 -0.384 0.000 0.767 246 G HN 0.567 nan 8.290 nan 0.000 0.546 247 Q N 0.225 119.765 119.800 -0.433 0.000 3.184 247 Q HA 0.269 4.609 4.340 -0.000 0.000 0.288 247 Q C -1.262 174.701 176.000 -0.062 0.000 1.412 247 Q CA -0.497 55.075 55.803 -0.386 0.000 0.991 247 Q CB 0.169 28.610 28.738 -0.495 0.000 1.688 247 Q HN 0.457 nan 8.270 nan 0.000 0.554 248 W N 0.796 121.892 121.300 -0.340 0.000 3.129 248 W HA 0.217 4.877 4.660 -0.000 0.000 0.333 248 W C -0.201 176.166 176.519 -0.254 0.000 1.141 248 W CA -0.444 56.740 57.345 -0.269 0.000 1.224 248 W CB 1.386 30.626 29.460 -0.365 0.000 1.393 248 W HN 0.153 nan 8.180 nan 0.000 0.499 249 Q N 3.611 123.024 119.800 -0.645 0.000 2.349 249 Q HA 0.182 4.522 4.340 -0.000 0.000 0.209 249 Q C 1.214 176.622 176.000 -0.987 0.000 0.920 249 Q CA 0.665 56.087 55.803 -0.635 0.000 0.901 249 Q CB 0.083 28.586 28.738 -0.392 0.000 1.021 249 Q HN 0.827 nan 8.270 nan 0.000 0.519 250 G N 2.850 110.742 108.800 -1.513 0.000 2.941 250 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.316 250 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.316 250 G C 0.094 174.497 174.900 -0.828 0.000 0.221 250 G CA 0.453 44.679 45.100 -1.457 0.000 1.224 250 G HN 0.122 nan 8.290 nan 0.000 0.282 251 L N 2.307 123.323 121.223 -0.345 0.000 2.805 251 L HA 0.969 5.309 4.340 -0.000 0.000 0.242 251 L C 1.175 178.038 176.870 -0.012 0.000 1.180 251 L CA -0.448 54.291 54.840 -0.170 0.000 1.001 251 L CB 0.812 42.803 42.059 -0.114 0.000 1.864 251 L HN 0.932 nan 8.230 nan 0.000 0.551 252 G N 0.000 108.804 108.800 0.007 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