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 1l7v_1_A DATA FIRST_RESID 2 DATA SEQUENCE LTLARQQQRQ NIRWLLCLSV LXLLALLLSL CAGEQWISPG DWFTPRGELF DATA SEQUENCE VWQIRLPRTL AVLLVGAALA ISGAVXQALF ENPLAEPGLL GVSNGAGVGL DATA SEQUENCE IAAVLLGQGQ LPNWALGLCA IAGALIITLI LLRFARRHLS TSRLLLAGVA DATA SEQUENCE LGIICSALXT WAIYFSTSVD LRQLXYWXXG GFGGVDWRQS WLXLALIPVL DATA SEQUENCE LWICCQSRPX NXLALGEISA RQLGLPLWFW RNVLVAATGW XVGVSVALAG DATA SEQUENCE AIGFIGLVIP HILRLCGLTD HRVLLPGCAL AGASALLLAD IVARLALAAA DATA SEQUENCE ELPIGVVTAT LGAPVFIWLL LKA 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 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.871 176.870 0.002 0.000 1.165 2 L CA 0.000 54.840 54.840 0.000 0.000 0.813 2 L CB 0.000 42.058 42.059 -0.002 0.000 0.961 3 T N 1.952 116.507 114.554 0.002 0.000 2.545 3 T HA -0.129 4.221 4.350 0.000 0.000 0.261 3 T C 1.672 176.375 174.700 0.005 0.000 1.097 3 T CA 2.121 64.223 62.100 0.004 0.000 1.189 3 T CB -0.354 68.516 68.868 0.004 0.000 0.863 3 T HN 0.515 nan 8.240 nan 0.000 0.405 4 L N 0.857 122.082 121.223 0.003 0.000 2.064 4 L HA -0.274 4.066 4.340 0.000 0.000 0.216 4 L C 2.961 179.833 176.870 0.004 0.000 1.077 4 L CA 1.515 56.357 54.840 0.003 0.000 0.766 4 L CB -0.828 41.230 42.059 -0.001 0.000 0.890 4 L HN 0.318 nan 8.230 nan 0.000 0.435 5 A N 0.099 122.920 122.820 0.001 0.000 1.834 5 A HA -0.298 4.022 4.320 0.000 0.000 0.216 5 A C 2.402 179.990 177.584 0.006 0.000 1.203 5 A CA 2.121 54.158 52.037 0.000 0.000 0.621 5 A CB -0.787 18.212 19.000 -0.002 0.000 0.841 5 A HN 0.389 nan 8.150 nan 0.000 0.446 6 R N -0.516 119.989 120.500 0.007 0.000 2.119 6 R HA -0.253 4.088 4.340 0.000 0.000 0.246 6 R C 2.400 178.710 176.300 0.017 0.000 1.146 6 R CA 2.163 58.270 56.100 0.011 0.000 0.962 6 R CB -0.358 29.948 30.300 0.010 0.000 0.863 6 R HN 0.753 nan 8.270 nan 0.000 0.442 7 Q N -0.387 119.423 119.800 0.017 0.000 2.020 7 Q HA -0.240 4.100 4.340 0.000 0.000 0.202 7 Q C 2.204 178.223 176.000 0.033 0.000 0.982 7 Q CA 1.738 57.555 55.803 0.024 0.000 0.838 7 Q CB -0.104 28.647 28.738 0.021 0.000 0.899 7 Q HN 0.260 nan 8.270 nan 0.000 0.423 8 Q N 1.053 120.868 119.800 0.025 0.000 2.061 8 Q HA -0.252 4.088 4.340 0.000 0.000 0.204 8 Q C 1.881 177.903 176.000 0.038 0.000 0.984 8 Q CA 2.074 57.894 55.803 0.028 0.000 0.846 8 Q CB -0.253 28.489 28.738 0.006 0.000 0.902 8 Q HN 0.393 nan 8.270 nan 0.000 0.421 9 Q N -0.325 119.491 119.800 0.027 0.000 2.112 9 Q HA -0.272 4.068 4.340 0.000 0.000 0.206 9 Q C 2.149 178.178 176.000 0.049 0.000 0.987 9 Q CA 1.797 57.619 55.803 0.031 0.000 0.858 9 Q CB -0.218 28.532 28.738 0.020 0.000 0.905 9 Q HN 0.377 nan 8.270 nan 0.000 0.420 10 R N -0.067 120.461 120.500 0.047 0.000 2.070 10 R HA -0.190 4.150 4.340 0.000 0.000 0.233 10 R C 2.320 178.669 176.300 0.081 0.000 1.137 10 R CA 2.135 58.266 56.100 0.051 0.000 0.945 10 R CB -0.172 30.151 30.300 0.039 0.000 0.845 10 R HN 0.441 nan 8.270 nan 0.000 0.430 11 Q N -0.118 119.748 119.800 0.110 0.000 2.181 11 Q HA -0.151 4.189 4.340 0.000 0.000 0.205 11 Q C 1.828 178.020 176.000 0.320 0.000 0.980 11 Q CA 1.413 57.336 55.803 0.200 0.000 0.862 11 Q CB -0.114 28.757 28.738 0.223 0.000 0.905 11 Q HN 0.406 nan 8.270 nan 0.000 0.429 12 N N 0.799 119.619 118.700 0.200 0.000 2.039 12 N HA -0.128 4.612 4.740 0.000 0.000 0.193 12 N C 1.742 177.368 175.510 0.194 0.000 1.044 12 N CA 1.038 54.199 53.050 0.184 0.000 0.847 12 N CB -0.315 38.217 38.487 0.076 0.000 1.030 12 N HN 0.164 nan 8.380 nan 0.000 0.422 13 I N 1.542 122.184 120.570 0.119 0.000 2.236 13 I HA -0.269 3.901 4.170 0.000 0.000 0.249 13 I C 2.425 178.594 176.117 0.087 0.000 1.102 13 I CA 1.008 62.359 61.300 0.086 0.000 1.365 13 I CB -0.969 37.063 38.000 0.053 0.000 1.051 13 I HN 0.278 nan 8.210 nan 0.000 0.420 14 R N 0.272 120.824 120.500 0.086 0.000 2.082 14 R HA -0.223 4.117 4.340 0.000 0.000 0.234 14 R C 2.412 178.699 176.300 -0.022 0.000 1.136 14 R CA 2.193 58.289 56.100 -0.008 0.000 0.935 14 R CB -0.496 29.757 30.300 -0.079 0.000 0.842 14 R HN 0.238 nan 8.270 nan 0.000 0.430 15 W N 1.102 122.408 121.300 0.010 0.000 2.333 15 W HA -0.118 4.542 4.660 0.000 0.000 0.316 15 W C 2.165 178.691 176.519 0.011 0.000 1.215 15 W CA 0.999 58.352 57.345 0.012 0.000 1.278 15 W CB -0.601 28.866 29.460 0.013 0.000 1.154 15 W HN 0.104 nan 8.180 nan 0.000 0.486 16 L N -0.350 121.020 121.223 0.245 0.000 2.189 16 L HA -0.252 4.088 4.340 0.000 0.000 0.214 16 L C 2.292 179.217 176.870 0.091 0.000 1.097 16 L CA 0.873 55.797 54.840 0.141 0.000 0.764 16 L CB -0.922 41.197 42.059 0.100 0.000 0.900 16 L HN 0.111 nan 8.230 nan 0.000 0.436 17 L N -0.681 120.582 121.223 0.066 0.000 2.034 17 L HA -0.144 4.196 4.340 0.000 0.000 0.203 17 L C 2.615 179.492 176.870 0.011 0.000 1.074 17 L CA 1.660 56.514 54.840 0.024 0.000 0.748 17 L CB -0.558 41.498 42.059 -0.004 0.000 0.905 17 L HN 0.205 nan 8.230 nan 0.000 0.439 18 C N -0.441 118.845 119.300 -0.024 0.000 2.401 18 C HA -0.191 4.269 4.460 0.000 0.000 0.276 18 C C 2.783 177.789 174.990 0.026 0.000 1.233 18 C CA 0.931 59.920 59.018 -0.048 0.000 1.753 18 C CB -1.175 26.459 27.740 -0.175 0.000 2.029 18 C HN 0.534 nan 8.230 nan 0.000 0.478 19 L N 0.214 121.492 121.223 0.091 0.000 2.056 19 L HA -0.127 4.213 4.340 0.000 0.000 0.207 19 L C 2.792 179.703 176.870 0.068 0.000 1.078 19 L CA 1.573 56.477 54.840 0.107 0.000 0.749 19 L CB -0.709 41.437 42.059 0.145 0.000 0.901 19 L HN 0.343 nan 8.230 nan 0.000 0.433 20 S N -0.538 115.198 115.700 0.059 0.000 2.383 20 S HA -0.166 4.304 4.470 0.000 0.000 0.229 20 S C 1.917 176.539 174.600 0.037 0.000 1.030 20 S CA 1.379 59.606 58.200 0.045 0.000 1.002 20 S CB -0.086 63.138 63.200 0.040 0.000 0.829 20 S HN 0.188 nan 8.310 nan 0.000 0.467 21 V N 1.741 121.673 119.914 0.029 0.000 2.255 21 V HA 0.030 4.150 4.120 0.000 0.000 0.243 21 V C 1.679 177.790 176.094 0.028 0.000 1.038 21 V CA 1.172 63.486 62.300 0.022 0.000 1.008 21 V CB -0.760 31.067 31.823 0.007 0.000 0.645 21 V HN 0.538 nan 8.190 nan 0.000 0.449 25 L N 1.588 122.841 121.223 0.050 0.000 2.013 25 L HA -0.166 4.174 4.340 0.000 0.000 0.212 25 L C 2.613 179.520 176.870 0.061 0.000 1.073 25 L CA 2.612 57.485 54.840 0.054 0.000 0.753 25 L CB -0.403 41.681 42.059 0.041 0.000 0.890 25 L HN 0.377 nan 8.230 nan 0.000 0.432 26 A N -1.310 121.538 122.820 0.048 0.000 1.898 26 A HA -0.186 4.134 4.320 0.000 0.000 0.216 26 A C 2.199 179.809 177.584 0.043 0.000 1.181 26 A CA 1.682 53.743 52.037 0.040 0.000 0.620 26 A CB -0.883 18.131 19.000 0.023 0.000 0.819 26 A HN 0.422 nan 8.150 nan 0.000 0.442 27 L N -0.512 120.738 121.223 0.046 0.000 2.012 27 L HA -0.136 4.204 4.340 0.000 0.000 0.210 27 L C 2.192 179.117 176.870 0.092 0.000 1.073 27 L CA 1.589 56.458 54.840 0.048 0.000 0.748 27 L CB -0.460 41.631 42.059 0.054 0.000 0.891 27 L HN 0.281 nan 8.230 nan 0.000 0.431 28 L N -0.952 120.346 121.223 0.125 0.000 1.961 28 L HA -0.230 4.110 4.340 0.000 0.000 0.210 28 L C 2.629 179.616 176.870 0.195 0.000 1.072 28 L CA 2.040 56.994 54.840 0.191 0.000 0.749 28 L CB -1.376 40.775 42.059 0.154 0.000 0.889 28 L HN 0.409 nan 8.230 nan 0.000 0.432 29 L N -0.359 120.955 121.223 0.152 0.000 2.021 29 L HA -0.288 4.052 4.340 0.000 0.000 0.215 29 L C 2.883 179.840 176.870 0.146 0.000 1.074 29 L CA 2.247 57.184 54.840 0.162 0.000 0.760 29 L CB -0.707 41.420 42.059 0.112 0.000 0.889 29 L HN 0.299 nan 8.230 nan 0.000 0.433 30 S N -0.908 114.845 115.700 0.089 0.000 2.359 30 S HA -0.180 4.291 4.470 0.000 0.000 0.224 30 S C 1.938 176.568 174.600 0.049 0.000 1.035 30 S CA 1.578 59.806 58.200 0.046 0.000 1.018 30 S CB -0.488 62.706 63.200 -0.010 0.000 0.876 30 S HN 0.490 nan 8.310 nan 0.000 0.448 31 L N 0.492 121.750 121.223 0.058 0.000 2.642 31 L HA -0.055 4.285 4.340 0.000 0.000 0.236 31 L C 1.530 178.448 176.870 0.081 0.000 1.169 31 L CA 0.338 55.181 54.840 0.004 0.000 0.851 31 L CB -0.382 41.674 42.059 -0.005 0.000 0.968 31 L HN 0.506 nan 8.230 nan 0.000 0.453 32 C N -1.106 118.294 119.300 0.167 0.000 3.392 32 C HA 0.518 4.978 4.460 0.000 0.000 0.301 32 C C 1.117 176.234 174.990 0.212 0.000 1.354 32 C CA -0.513 58.599 59.018 0.156 0.000 1.732 32 C CB -0.198 27.695 27.740 0.255 0.000 2.269 32 C HN 0.400 nan 8.230 nan 0.000 0.673 33 A N 0.016 122.959 122.820 0.206 0.000 2.386 33 A HA 0.753 5.073 4.320 0.000 0.000 0.311 33 A C 0.045 177.712 177.584 0.138 0.000 1.068 33 A CA 0.241 52.414 52.037 0.227 0.000 0.743 33 A CB 0.810 19.934 19.000 0.206 0.000 1.258 33 A HN 0.699 nan 8.150 nan 0.000 0.429 34 G N 1.009 109.892 108.800 0.138 0.000 4.024 34 G HA2 0.440 4.400 3.960 0.000 0.000 0.237 34 G HA3 0.440 4.400 3.960 0.000 0.000 0.237 34 G C -0.185 174.787 174.900 0.120 0.000 3.869 34 G CA 0.260 45.431 45.100 0.119 0.000 0.560 34 G HN 0.975 nan 8.290 nan 0.000 0.230 35 E N -1.284 118.979 120.200 0.104 0.000 3.801 35 E HA -0.222 4.128 4.350 0.000 0.000 0.319 35 E C 0.391 177.043 176.600 0.087 0.000 0.784 35 E CA 1.630 58.084 56.400 0.090 0.000 1.183 35 E CB -0.682 29.075 29.700 0.094 0.000 1.601 35 E HN 0.692 nan 8.360 nan 0.000 0.441 36 Q N -1.668 118.193 119.800 0.102 0.000 2.776 36 Q HA 0.385 4.725 4.340 0.000 0.000 0.289 36 Q C -1.890 174.220 176.000 0.184 0.000 0.912 36 Q CA -0.733 55.129 55.803 0.097 0.000 0.789 36 Q CB 1.200 29.939 28.738 0.001 0.000 1.498 36 Q HN 0.150 nan 8.270 nan 0.000 0.408 37 W N 2.259 123.537 121.300 -0.036 0.000 2.706 37 W HA 0.703 5.363 4.660 0.000 0.000 0.346 37 W C -1.324 175.190 176.519 -0.009 0.000 1.071 37 W CA -0.654 56.687 57.345 -0.007 0.000 1.206 37 W CB 1.071 30.536 29.460 0.009 0.000 1.413 37 W HN 0.462 nan 8.180 nan 0.000 0.542 38 I N 3.686 123.893 120.570 -0.605 0.000 2.714 38 I HA 0.252 4.422 4.170 0.000 0.000 0.274 38 I C 0.183 175.922 176.117 -0.630 0.000 1.261 38 I CA -1.125 59.900 61.300 -0.458 0.000 1.008 38 I CB 0.036 37.935 38.000 -0.168 0.000 1.289 38 I HN 0.276 nan 8.210 nan 0.000 0.529 39 S N 3.293 118.238 115.700 -1.259 0.000 2.549 39 S HA 0.206 4.676 4.470 0.000 0.000 0.278 39 S C -1.510 172.654 174.600 -0.725 0.000 1.344 39 S CA -0.287 57.253 58.200 -1.101 0.000 1.025 39 S CB 0.091 62.758 63.200 -0.888 0.000 0.851 39 S HN 0.438 nan 8.310 nan 0.000 0.530 40 P HA -0.091 nan 4.420 nan 0.000 0.217 40 P C 1.722 178.499 177.300 -0.870 0.000 1.151 40 P CA 1.876 63.979 63.100 -1.661 0.000 0.849 40 P CB -0.523 30.555 31.700 -1.036 0.000 0.787 41 G N 0.005 108.549 108.800 -0.426 0.000 2.453 41 G HA2 -0.206 3.754 3.960 0.000 0.000 0.215 41 G HA3 -0.206 3.754 3.960 0.000 0.000 0.215 41 G C 0.853 175.743 174.900 -0.017 0.000 1.201 41 G CA 0.753 45.755 45.100 -0.164 0.000 0.784 41 G HN 0.219 nan 8.290 nan 0.000 0.545 42 D N -0.234 120.141 120.400 -0.042 0.000 2.652 42 D HA 0.022 4.662 4.640 0.000 0.000 0.247 42 D C 0.905 177.343 176.300 0.229 0.000 1.232 42 D CA -0.096 53.942 54.000 0.063 0.000 0.863 42 D CB 0.003 40.792 40.800 -0.018 0.000 1.023 42 D HN 0.376 nan 8.370 nan 0.000 0.474 43 W N -0.559 120.769 121.300 0.047 0.000 2.539 43 W HA 0.084 4.744 4.660 0.000 0.000 0.281 43 W C 1.327 177.810 176.519 -0.061 0.000 1.220 43 W CA -0.181 57.155 57.345 -0.015 0.000 1.332 43 W CB -0.587 28.863 29.460 -0.018 0.000 1.095 43 W HN 0.005 nan 8.180 nan 0.000 0.571 44 F N 0.424 120.504 119.950 0.217 0.000 2.676 44 F HA 0.144 4.671 4.527 0.000 0.000 0.300 44 F C 0.869 176.711 175.800 0.069 0.000 1.160 44 F CA 0.302 58.369 58.000 0.112 0.000 1.401 44 F CB -1.175 37.872 39.000 0.078 0.000 1.037 44 F HN -0.455 nan 8.300 nan 0.000 0.522 45 T N 1.272 115.944 114.554 0.196 0.000 2.909 45 T HA 0.107 4.457 4.350 0.000 0.000 0.289 45 T C -1.359 173.398 174.700 0.096 0.000 1.005 45 T CA -1.182 60.993 62.100 0.124 0.000 1.084 45 T CB 1.474 70.396 68.868 0.090 0.000 0.975 45 T HN -0.149 nan 8.240 nan 0.000 0.509 46 P HA -0.148 nan 4.420 nan 0.000 0.219 46 P C 1.267 178.642 177.300 0.125 0.000 1.145 46 P CA 1.238 64.390 63.100 0.086 0.000 0.813 46 P CB 0.197 31.941 31.700 0.074 0.000 0.771 47 R N -1.599 118.974 120.500 0.122 0.000 2.052 47 R HA 0.073 4.413 4.340 0.000 0.000 0.224 47 R C 2.594 179.029 176.300 0.226 0.000 1.149 47 R CA 1.272 57.479 56.100 0.179 0.000 0.962 47 R CB -1.429 28.846 30.300 -0.041 0.000 0.856 47 R HN 0.176 nan 8.270 nan 0.000 0.433 48 G N 1.661 110.511 108.800 0.082 0.000 2.476 48 G HA2 -0.308 3.652 3.960 0.000 0.000 0.218 48 G HA3 -0.308 3.652 3.960 0.000 0.000 0.218 48 G C 1.107 176.042 174.900 0.057 0.000 1.164 48 G CA 0.932 46.053 45.100 0.035 0.000 0.768 48 G HN 0.353 nan 8.290 nan 0.000 0.560 49 E N -0.182 120.050 120.200 0.054 0.000 2.209 49 E HA -0.053 4.297 4.350 0.000 0.000 0.196 49 E C 2.441 179.135 176.600 0.156 0.000 0.993 49 E CA 0.413 56.841 56.400 0.047 0.000 0.819 49 E CB -0.085 29.610 29.700 -0.007 0.000 0.745 49 E HN 0.455 nan 8.360 nan 0.000 0.477 50 L N -0.652 120.686 121.223 0.192 0.000 2.115 50 L HA -0.028 4.312 4.340 0.000 0.000 0.200 50 L C 1.999 178.929 176.870 0.100 0.000 1.094 50 L CA 0.530 55.453 54.840 0.139 0.000 0.769 50 L CB -0.493 41.624 42.059 0.097 0.000 0.931 50 L HN 0.051 nan 8.230 nan 0.000 0.455 51 F N 0.036 119.984 119.950 -0.004 0.000 1.983 51 F HA -0.167 4.361 4.527 0.000 0.000 0.295 51 F C 2.506 178.249 175.800 -0.096 0.000 1.197 51 F CA 1.020 58.992 58.000 -0.046 0.000 1.165 51 F CB -1.458 37.512 39.000 -0.050 0.000 0.970 51 F HN -0.290 nan 8.300 nan 0.000 0.488 52 V N -1.202 118.759 119.914 0.079 0.000 2.277 52 V HA -0.365 3.756 4.120 0.000 0.000 0.255 52 V C 1.957 177.963 176.094 -0.146 0.000 1.074 52 V CA 2.385 64.559 62.300 -0.211 0.000 1.058 52 V CB -0.761 30.733 31.823 -0.550 0.000 0.656 52 V HN 0.590 nan 8.190 nan 0.000 0.449 53 W N -0.675 120.534 121.300 -0.151 0.000 2.678 53 W HA 0.051 4.711 4.660 0.000 0.000 0.282 53 W C 2.569 179.197 176.519 0.181 0.000 1.137 53 W CA 0.719 58.057 57.345 -0.011 0.000 1.515 53 W CB 0.069 29.505 29.460 -0.039 0.000 1.101 53 W HN 0.093 nan 8.180 nan 0.000 0.564 54 Q N -0.172 119.857 119.800 0.382 0.000 2.444 54 Q HA 0.074 4.414 4.340 0.000 0.000 0.206 54 Q C 1.263 177.237 176.000 -0.044 0.000 0.948 54 Q CA 0.844 56.829 55.803 0.302 0.000 0.946 54 Q CB 0.403 29.314 28.738 0.289 0.000 1.027 54 Q HN 0.412 nan 8.270 nan 0.000 0.513 55 I N -1.833 118.650 120.570 -0.144 0.000 3.859 55 I HA -0.004 4.166 4.170 0.000 0.000 0.266 55 I C 1.681 177.642 176.117 -0.260 0.000 1.132 55 I CA -0.295 60.873 61.300 -0.219 0.000 1.361 55 I CB 0.122 38.015 38.000 -0.178 0.000 1.690 55 I HN -0.063 nan 8.210 nan 0.000 0.424 56 R N 1.406 121.796 120.500 -0.183 0.000 2.082 56 R HA -0.091 4.249 4.340 0.000 0.000 0.228 56 R C 2.173 178.300 176.300 -0.287 0.000 1.140 56 R CA 1.291 57.282 56.100 -0.182 0.000 0.920 56 R CB -1.292 28.936 30.300 -0.121 0.000 0.828 56 R HN 0.193 nan 8.270 nan 0.000 0.430 57 L N 1.872 122.892 121.223 -0.339 0.000 2.011 57 L HA -0.197 4.143 4.340 0.000 0.000 0.225 57 L C -0.888 175.662 176.870 -0.533 0.000 1.084 57 L CA 2.405 57.016 54.840 -0.382 0.000 0.791 57 L CB -1.567 40.263 42.059 -0.383 0.000 0.898 57 L HN 0.124 nan 8.230 nan 0.000 0.440 58 P HA -0.229 nan 4.420 nan 0.000 0.213 58 P C 1.611 178.583 177.300 -0.546 0.000 1.170 58 P CA 1.916 64.274 63.100 -1.237 0.000 0.902 58 P CB -0.195 30.490 31.700 -1.691 0.000 0.789 59 R N -0.805 119.454 120.500 -0.402 0.000 2.094 59 R HA -0.145 4.196 4.340 0.000 0.000 0.239 59 R C 2.111 178.316 176.300 -0.160 0.000 1.137 59 R CA 2.533 58.527 56.100 -0.176 0.000 0.943 59 R CB -1.131 29.086 30.300 -0.138 0.000 0.850 59 R HN 0.131 nan 8.270 nan 0.000 0.433 60 T N 1.457 115.890 114.554 -0.202 0.000 2.684 60 T HA -0.146 4.204 4.350 0.000 0.000 0.267 60 T C 1.777 176.392 174.700 -0.141 0.000 1.036 60 T CA 1.551 63.547 62.100 -0.173 0.000 1.148 60 T CB -0.200 68.583 68.868 -0.141 0.000 0.863 60 T HN 0.190 nan 8.240 nan 0.000 0.436 61 L N 0.669 121.810 121.223 -0.137 0.000 2.127 61 L HA -0.144 4.196 4.340 0.000 0.000 0.211 61 L C 3.033 179.888 176.870 -0.024 0.000 1.089 61 L CA 1.185 55.982 54.840 -0.072 0.000 0.757 61 L CB -0.767 41.255 42.059 -0.061 0.000 0.899 61 L HN 0.276 nan 8.230 nan 0.000 0.434 62 A N -0.094 122.723 122.820 -0.005 0.000 1.858 62 A HA -0.147 4.173 4.320 0.000 0.000 0.216 62 A C 2.342 180.064 177.584 0.231 0.000 1.190 62 A CA 1.736 53.865 52.037 0.154 0.000 0.617 62 A CB -0.843 18.319 19.000 0.269 0.000 0.827 62 A HN 0.157 nan 8.150 nan 0.000 0.443 63 V N 0.438 120.319 119.914 -0.056 0.000 2.231 63 V HA -0.334 3.786 4.120 0.000 0.000 0.248 63 V C 2.598 178.627 176.094 -0.108 0.000 1.054 63 V CA 2.202 64.254 62.300 -0.414 0.000 1.015 63 V CB -0.985 30.444 31.823 -0.657 0.000 0.638 63 V HN 0.588 nan 8.190 nan 0.000 0.444 64 L N -0.824 120.351 121.223 -0.080 0.000 1.978 64 L HA -0.286 4.054 4.340 0.000 0.000 0.218 64 L C 2.485 179.362 176.870 0.011 0.000 1.075 64 L CA 1.960 56.783 54.840 -0.029 0.000 0.767 64 L CB -0.708 41.339 42.059 -0.019 0.000 0.890 64 L HN 0.327 nan 8.230 nan 0.000 0.434 65 L N -1.060 120.183 121.223 0.033 0.000 1.994 65 L HA -0.216 4.124 4.340 0.000 0.000 0.208 65 L C 2.549 179.456 176.870 0.063 0.000 1.071 65 L CA 1.071 55.936 54.840 0.042 0.000 0.745 65 L CB -0.665 41.423 42.059 0.048 0.000 0.892 65 L HN 0.091 nan 8.230 nan 0.000 0.431 66 V N 0.296 120.289 119.914 0.131 0.000 2.332 66 V HA -0.230 3.890 4.120 0.000 0.000 0.248 66 V C 2.599 178.764 176.094 0.118 0.000 1.055 66 V CA 1.996 64.394 62.300 0.163 0.000 1.038 66 V CB -1.432 30.605 31.823 0.357 0.000 0.651 66 V HN 0.583 nan 8.190 nan 0.000 0.450 67 G N -0.108 108.748 108.800 0.093 0.000 2.552 67 G HA2 -0.250 3.710 3.960 0.000 0.000 0.216 67 G HA3 -0.250 3.710 3.960 0.000 0.000 0.216 67 G C 1.822 176.745 174.900 0.037 0.000 1.240 67 G CA 1.295 46.428 45.100 0.055 0.000 0.796 67 G HN 0.621 nan 8.290 nan 0.000 0.568 68 A N 0.982 123.817 122.820 0.024 0.000 1.971 68 A HA 0.027 4.347 4.320 0.000 0.000 0.222 68 A C 2.773 180.362 177.584 0.007 0.000 1.182 68 A CA 2.890 54.935 52.037 0.014 0.000 0.649 68 A CB -0.870 18.135 19.000 0.009 0.000 0.818 68 A HN 0.979 nan 8.150 nan 0.000 0.458 69 A N -0.381 122.444 122.820 0.009 0.000 1.832 69 A HA 0.014 4.334 4.320 0.000 0.000 0.214 69 A C 2.136 179.724 177.584 0.006 0.000 1.200 69 A CA 1.387 53.421 52.037 -0.005 0.000 0.610 69 A CB -0.814 18.181 19.000 -0.008 0.000 0.842 69 A HN 0.469 nan 8.150 nan 0.000 0.444 70 L N -0.532 120.707 121.223 0.025 0.000 2.051 70 L HA -0.308 4.032 4.340 0.000 0.000 0.214 70 L C 3.078 179.954 176.870 0.009 0.000 1.076 70 L CA 1.298 56.153 54.840 0.025 0.000 0.758 70 L CB -0.682 41.407 42.059 0.050 0.000 0.890 70 L HN 0.508 nan 8.230 nan 0.000 0.433 71 A N 0.479 123.305 122.820 0.011 0.000 1.835 71 A HA -0.199 4.121 4.320 0.000 0.000 0.215 71 A C 2.189 179.764 177.584 -0.014 0.000 1.199 71 A CA 1.721 53.757 52.037 -0.002 0.000 0.615 71 A CB -0.764 18.240 19.000 0.006 0.000 0.838 71 A HN 0.320 nan 8.150 nan 0.000 0.444 72 I N 0.241 120.807 120.570 -0.007 0.000 2.194 72 I HA -0.297 3.873 4.170 0.000 0.000 0.246 72 I C 2.719 178.831 176.117 -0.008 0.000 1.093 72 I CA 1.636 62.931 61.300 -0.009 0.000 1.355 72 I CB -0.472 37.521 38.000 -0.011 0.000 1.046 72 I HN 0.283 nan 8.210 nan 0.000 0.413 73 S N 0.895 116.593 115.700 -0.004 0.000 2.365 73 S HA -0.192 4.278 4.470 0.000 0.000 0.225 73 S C 2.160 176.755 174.600 -0.008 0.000 1.039 73 S CA 1.531 59.734 58.200 0.005 0.000 1.033 73 S CB -0.989 62.215 63.200 0.007 0.000 0.887 73 S HN 0.669 nan 8.310 nan 0.000 0.447 74 G N 1.556 110.338 108.800 -0.031 0.000 2.476 74 G HA2 -0.139 3.821 3.960 0.000 0.000 0.218 74 G HA3 -0.139 3.821 3.960 0.000 0.000 0.218 74 G C 1.586 176.453 174.900 -0.055 0.000 1.164 74 G CA 1.162 46.225 45.100 -0.062 0.000 0.768 74 G HN 0.610 nan 8.290 nan 0.000 0.560 75 A N 0.261 123.054 122.820 -0.044 0.000 1.851 75 A HA 0.140 4.460 4.320 0.000 0.000 0.216 75 A C 1.760 179.353 177.584 0.016 0.000 1.195 75 A CA 1.439 53.469 52.037 -0.012 0.000 0.622 75 A CB -0.970 18.040 19.000 0.018 0.000 0.831 75 A HN 0.351 nan 8.150 nan 0.000 0.444 79 A N 1.451 124.355 122.820 0.141 0.000 1.851 79 A HA -0.143 4.177 4.320 0.000 0.000 0.216 79 A C 1.882 179.548 177.584 0.137 0.000 1.195 79 A CA 1.502 53.610 52.037 0.117 0.000 0.622 79 A CB -0.880 18.131 19.000 0.017 0.000 0.831 79 A HN 0.304 nan 8.150 nan 0.000 0.444 80 L N -1.919 119.404 121.223 0.166 0.000 1.997 80 L HA -0.244 4.096 4.340 0.000 0.000 0.216 80 L C 2.284 179.172 176.870 0.031 0.000 1.074 80 L CA 1.794 56.698 54.840 0.107 0.000 0.763 80 L CB -0.612 41.529 42.059 0.137 0.000 0.890 80 L HN 0.454 nan 8.230 nan 0.000 0.434 81 F N -0.515 119.472 119.950 0.062 0.000 2.797 81 F HA 0.045 4.572 4.527 0.000 0.000 0.302 81 F C 0.903 176.742 175.800 0.065 0.000 1.130 81 F CA -0.258 57.782 58.000 0.066 0.000 1.387 81 F CB -0.566 38.468 39.000 0.057 0.000 1.107 81 F HN 0.102 nan 8.300 nan 0.000 0.577 82 E N 1.205 121.532 120.200 0.212 0.000 2.252 82 E HA -0.303 4.047 4.350 0.000 0.000 0.218 82 E C -0.522 176.171 176.600 0.154 0.000 1.253 82 E CA 0.346 56.834 56.400 0.147 0.000 0.705 82 E CB -1.698 28.064 29.700 0.104 0.000 1.172 82 E HN 0.443 nan 8.360 nan 0.000 0.369 83 N N -0.868 117.936 118.700 0.173 0.000 2.648 83 N HA 0.218 4.959 4.740 0.000 0.000 0.272 83 N C -2.590 173.003 175.510 0.138 0.000 1.118 83 N CA -1.791 51.343 53.050 0.141 0.000 0.973 83 N CB 1.590 40.163 38.487 0.143 0.000 1.565 83 N HN -0.315 nan 8.380 nan 0.000 0.542 84 P HA -0.042 nan 4.420 nan 0.000 0.219 84 P C 0.888 178.370 177.300 0.302 0.000 1.146 84 P CA 1.052 64.331 63.100 0.300 0.000 0.808 84 P CB 0.255 32.064 31.700 0.182 0.000 0.779 85 L N -2.167 119.140 121.223 0.139 0.000 2.552 85 L HA 0.098 4.438 4.340 0.000 0.000 0.227 85 L C 1.116 177.957 176.870 -0.049 0.000 1.146 85 L CA -0.348 54.525 54.840 0.055 0.000 0.858 85 L CB -0.927 41.152 42.059 0.033 0.000 0.969 85 L HN -0.112 nan 8.230 nan 0.000 0.451 86 A N 1.461 124.251 122.820 -0.051 0.000 2.492 86 A HA 0.283 4.603 4.320 0.000 0.000 0.254 86 A C 0.242 177.728 177.584 -0.162 0.000 1.091 86 A CA 0.429 52.360 52.037 -0.177 0.000 0.768 86 A CB 0.175 19.061 19.000 -0.191 0.000 1.028 86 A HN 0.352 nan 8.150 nan 0.000 0.498 87 E N 2.890 122.969 120.200 -0.202 0.000 2.388 87 E HA 0.280 4.630 4.350 0.000 0.000 0.280 87 E C -2.509 174.005 176.600 -0.143 0.000 1.019 87 E CA -1.528 54.777 56.400 -0.159 0.000 0.806 87 E CB 1.752 31.345 29.700 -0.179 0.000 1.246 87 E HN 0.279 nan 8.360 nan 0.000 0.443 88 P HA -0.153 nan 4.420 nan 0.000 0.214 88 P C 1.095 178.363 177.300 -0.054 0.000 1.169 88 P CA 2.329 65.394 63.100 -0.059 0.000 0.908 88 P CB 0.062 31.748 31.700 -0.023 0.000 0.791 89 G N -0.293 108.485 108.800 -0.037 0.000 2.480 89 G HA2 -0.251 3.710 3.960 0.000 0.000 0.216 89 G HA3 -0.251 3.710 3.960 0.000 0.000 0.216 89 G C 1.558 176.438 174.900 -0.032 0.000 1.200 89 G CA 0.833 45.927 45.100 -0.009 0.000 0.782 89 G HN 0.193 nan 8.290 nan 0.000 0.554 90 L N -0.355 120.819 121.223 -0.080 0.000 1.989 90 L HA -0.079 4.261 4.340 0.000 0.000 0.211 90 L C 2.642 179.458 176.870 -0.091 0.000 1.071 90 L CA 0.543 55.328 54.840 -0.092 0.000 0.749 90 L CB -0.505 41.460 42.059 -0.157 0.000 0.890 90 L HN 0.127 nan 8.230 nan 0.000 0.431 91 L N 0.260 121.407 121.223 -0.127 0.000 2.633 91 L HA 0.008 4.348 4.340 0.000 0.000 0.235 91 L C 1.610 178.420 176.870 -0.100 0.000 1.163 91 L CA 1.309 56.065 54.840 -0.141 0.000 0.859 91 L CB -1.331 40.593 42.059 -0.226 0.000 0.973 91 L HN 0.463 nan 8.230 nan 0.000 0.451 92 G N -1.552 107.207 108.800 -0.068 0.000 2.153 92 G HA2 -0.283 3.677 3.960 0.000 0.000 0.252 92 G HA3 -0.283 3.677 3.960 0.000 0.000 0.252 92 G C 1.046 175.922 174.900 -0.039 0.000 0.994 92 G CA 0.415 45.488 45.100 -0.044 0.000 0.698 92 G HN 0.213 nan 8.290 nan 0.000 0.521 93 V N 0.235 120.122 119.914 -0.044 0.000 2.667 93 V HA -0.133 3.988 4.120 0.000 0.000 0.252 93 V C 2.708 178.795 176.094 -0.013 0.000 1.065 93 V CA 2.615 64.899 62.300 -0.027 0.000 1.083 93 V CB -0.063 31.745 31.823 -0.025 0.000 0.692 93 V HN 0.490 nan 8.190 nan 0.000 0.468 94 S N 0.339 116.033 115.700 -0.011 0.000 2.371 94 S HA -0.142 4.328 4.470 0.000 0.000 0.224 94 S C 1.755 176.353 174.600 -0.004 0.000 1.029 94 S CA 1.482 59.680 58.200 -0.002 0.000 0.978 94 S CB -0.444 62.761 63.200 0.008 0.000 0.833 94 S HN 0.707 nan 8.310 nan 0.000 0.466 95 N N 0.901 119.601 118.700 -0.000 0.000 2.381 95 N HA -0.057 4.683 4.740 0.000 0.000 0.182 95 N C 1.889 177.397 175.510 -0.004 0.000 1.025 95 N CA 0.641 53.695 53.050 0.006 0.000 0.888 95 N CB -0.174 38.320 38.487 0.012 0.000 0.965 95 N HN 0.435 nan 8.380 nan 0.000 0.438 96 G N 1.060 109.853 108.800 -0.012 0.000 2.404 96 G HA2 -0.186 3.774 3.960 0.000 0.000 0.215 96 G HA3 -0.186 3.774 3.960 0.000 0.000 0.215 96 G C 1.540 176.428 174.900 -0.021 0.000 1.174 96 G CA 0.766 45.856 45.100 -0.016 0.000 0.780 96 G HN 0.343 nan 8.290 nan 0.000 0.537 97 A N 0.636 123.444 122.820 -0.021 0.000 2.121 97 A HA 0.274 4.594 4.320 0.000 0.000 0.218 97 A C 2.525 180.076 177.584 -0.054 0.000 1.154 97 A CA 1.757 53.775 52.037 -0.033 0.000 0.679 97 A CB -0.653 18.333 19.000 -0.023 0.000 0.795 97 A HN 0.472 nan 8.150 nan 0.000 0.458 98 G N -0.316 108.460 108.800 -0.041 0.000 2.434 98 G HA2 -0.097 3.863 3.960 0.000 0.000 0.214 98 G HA3 -0.097 3.863 3.960 0.000 0.000 0.214 98 G C 1.505 176.377 174.900 -0.046 0.000 1.202 98 G CA 1.127 46.198 45.100 -0.048 0.000 0.788 98 G HN 0.247 nan 8.290 nan 0.000 0.539 99 V N 1.765 121.667 119.914 -0.019 0.000 2.282 99 V HA -0.138 3.982 4.120 0.000 0.000 0.249 99 V C 3.152 179.225 176.094 -0.036 0.000 1.057 99 V CA 2.190 64.482 62.300 -0.012 0.000 1.032 99 V CB -1.086 30.735 31.823 -0.003 0.000 0.645 99 V HN 0.461 nan 8.190 nan 0.000 0.447 100 G N -0.907 107.865 108.800 -0.046 0.000 2.462 100 G HA2 -0.230 3.730 3.960 0.000 0.000 0.220 100 G HA3 -0.230 3.730 3.960 0.000 0.000 0.220 100 G C 1.501 176.350 174.900 -0.085 0.000 1.121 100 G CA 1.119 46.183 45.100 -0.060 0.000 0.758 100 G HN 0.431 nan 8.290 nan 0.000 0.559 101 L N 0.518 121.677 121.223 -0.107 0.000 2.071 101 L HA 0.187 4.527 4.340 0.000 0.000 0.201 101 L C 2.624 179.405 176.870 -0.149 0.000 1.076 101 L CA 0.944 55.691 54.840 -0.155 0.000 0.755 101 L CB -0.394 41.535 42.059 -0.217 0.000 0.915 101 L HN 0.035 nan 8.230 nan 0.000 0.445 102 I N 0.494 120.986 120.570 -0.130 0.000 2.194 102 I HA -0.328 3.842 4.170 0.000 0.000 0.246 102 I C 2.704 178.796 176.117 -0.042 0.000 1.093 102 I CA 1.635 62.890 61.300 -0.075 0.000 1.355 102 I CB -2.042 35.958 38.000 -0.000 0.000 1.046 102 I HN 0.374 nan 8.210 nan 0.000 0.413 103 A N 0.945 123.741 122.820 -0.040 0.000 1.883 103 A HA -0.148 4.172 4.320 0.000 0.000 0.217 103 A C 2.606 180.159 177.584 -0.051 0.000 1.186 103 A CA 2.328 54.346 52.037 -0.033 0.000 0.624 103 A CB -0.904 18.075 19.000 -0.035 0.000 0.822 103 A HN 0.434 nan 8.150 nan 0.000 0.444 104 A N -0.630 122.142 122.820 -0.079 0.000 1.908 104 A HA -0.003 4.317 4.320 0.000 0.000 0.218 104 A C 2.257 179.784 177.584 -0.094 0.000 1.181 104 A CA 1.897 53.874 52.037 -0.100 0.000 0.627 104 A CB -0.964 17.955 19.000 -0.136 0.000 0.818 104 A HN 0.395 nan 8.150 nan 0.000 0.445 105 V N -0.304 119.555 119.914 -0.091 0.000 2.223 105 V HA -0.236 3.884 4.120 0.000 0.000 0.244 105 V C 2.500 178.574 176.094 -0.034 0.000 1.045 105 V CA 1.985 64.242 62.300 -0.071 0.000 1.000 105 V CB -0.915 30.865 31.823 -0.072 0.000 0.635 105 V HN 0.469 nan 8.190 nan 0.000 0.445 106 L N -0.686 120.530 121.223 -0.011 0.000 1.948 106 L HA -0.136 4.204 4.340 0.000 0.000 0.212 106 L C 2.038 178.908 176.870 -0.000 0.000 1.074 106 L CA 1.750 56.597 54.840 0.011 0.000 0.753 106 L CB -1.193 40.889 42.059 0.037 0.000 0.888 106 L HN 0.220 nan 8.230 nan 0.000 0.432 107 L N -0.471 120.747 121.223 -0.008 0.000 2.721 107 L HA -0.019 4.321 4.340 0.000 0.000 0.241 107 L C 1.559 178.411 176.870 -0.030 0.000 1.168 107 L CA 1.206 56.038 54.840 -0.014 0.000 0.866 107 L CB -1.653 40.395 42.059 -0.020 0.000 0.996 107 L HN 0.316 nan 8.230 nan 0.000 0.451 108 G N -1.997 106.780 108.800 -0.038 0.000 2.727 108 G HA2 0.453 4.413 3.960 0.000 0.000 0.212 108 G HA3 0.453 4.413 3.960 0.000 0.000 0.212 108 G C -0.483 174.393 174.900 -0.041 0.000 2.076 108 G CA -0.012 45.056 45.100 -0.053 0.000 0.744 108 G HN 0.217 nan 8.290 nan 0.000 0.775 109 Q N -2.328 117.444 119.800 -0.046 0.000 2.805 109 Q HA 0.332 4.672 4.340 0.000 0.000 0.257 109 Q C 0.519 176.499 176.000 -0.034 0.000 0.977 109 Q CA -0.005 55.779 55.803 -0.032 0.000 0.901 109 Q CB 0.712 29.432 28.738 -0.030 0.000 1.778 109 Q HN 0.568 nan 8.270 nan 0.000 0.441 110 G N 1.016 109.805 108.800 -0.018 0.000 2.564 110 G HA2 -0.217 3.743 3.960 0.000 0.000 0.216 110 G HA3 -0.217 3.743 3.960 0.000 0.000 0.216 110 G C 0.647 175.536 174.900 -0.018 0.000 1.124 110 G CA 0.554 45.646 45.100 -0.013 0.000 0.764 110 G HN 0.400 nan 8.290 nan 0.000 0.550 111 Q N -0.412 119.374 119.800 -0.024 0.000 2.392 111 Q HA 0.201 4.541 4.340 0.000 0.000 0.203 111 Q C 0.925 176.901 176.000 -0.040 0.000 0.917 111 Q CA -0.126 55.665 55.803 -0.020 0.000 0.939 111 Q CB 0.206 28.937 28.738 -0.012 0.000 1.063 111 Q HN 0.446 nan 8.270 nan 0.000 0.516 112 L N 3.533 124.711 121.223 -0.075 0.000 2.698 112 L HA 0.019 4.359 4.340 0.000 0.000 0.272 112 L C -1.973 174.807 176.870 -0.149 0.000 1.154 112 L CA -1.065 53.689 54.840 -0.143 0.000 0.964 112 L CB -0.373 41.583 42.059 -0.171 0.000 1.272 112 L HN -0.130 nan 8.230 nan 0.000 0.483 113 P HA 0.072 nan 4.420 nan 0.000 0.270 113 P C 0.386 177.581 177.300 -0.175 0.000 1.223 113 P CA -0.392 62.675 63.100 -0.054 0.000 0.785 113 P CB 0.544 32.365 31.700 0.202 0.000 0.923 114 N N 1.596 120.284 118.700 -0.020 0.000 2.021 114 N HA -0.197 4.543 4.740 0.000 0.000 0.198 114 N C 1.871 177.344 175.510 -0.061 0.000 1.041 114 N CA 1.662 54.699 53.050 -0.022 0.000 0.862 114 N CB -0.835 37.702 38.487 0.083 0.000 1.048 114 N HN 0.687 nan 8.380 nan 0.000 0.427 115 W N 1.831 123.112 121.300 -0.031 0.000 2.292 115 W HA -0.175 4.485 4.660 0.000 0.000 0.304 115 W C 1.902 178.389 176.519 -0.053 0.000 1.228 115 W CA 1.356 58.683 57.345 -0.029 0.000 1.241 115 W CB -1.191 28.205 29.460 -0.105 0.000 1.142 115 W HN 0.024 nan 8.180 nan 0.000 0.520 116 A N 1.807 123.756 122.820 -1.451 0.000 1.858 116 A HA -0.119 4.201 4.320 0.000 0.000 0.216 116 A C 2.452 179.679 177.584 -0.594 0.000 1.190 116 A CA 2.248 53.462 52.037 -1.371 0.000 0.617 116 A CB -1.132 17.130 19.000 -1.230 0.000 0.827 116 A HN 0.362 nan 8.150 nan 0.000 0.443 117 L N -0.701 120.276 121.223 -0.410 0.000 1.994 117 L HA -0.151 4.189 4.340 0.000 0.000 0.208 117 L C 2.921 179.684 176.870 -0.179 0.000 1.071 117 L CA 1.284 55.973 54.840 -0.252 0.000 0.745 117 L CB -1.222 40.714 42.059 -0.205 0.000 0.892 117 L HN 0.500 nan 8.230 nan 0.000 0.431 118 G N 0.459 109.187 108.800 -0.122 0.000 2.547 118 G HA2 -0.288 3.672 3.960 0.000 0.000 0.221 118 G HA3 -0.288 3.672 3.960 0.000 0.000 0.221 118 G C 1.625 176.498 174.900 -0.044 0.000 1.140 118 G CA 1.007 46.084 45.100 -0.038 0.000 0.760 118 G HN 0.265 nan 8.290 nan 0.000 0.583 119 L N -0.208 120.963 121.223 -0.085 0.000 2.131 119 L HA -0.114 4.226 4.340 0.000 0.000 0.210 119 L C 2.927 179.735 176.870 -0.104 0.000 1.092 119 L CA 0.759 55.544 54.840 -0.092 0.000 0.759 119 L CB -0.409 41.580 42.059 -0.117 0.000 0.903 119 L HN 0.283 nan 8.230 nan 0.000 0.435 120 C N -0.722 118.499 119.300 -0.132 0.000 2.446 120 C HA 0.021 4.481 4.460 0.000 0.000 0.279 120 C C 3.027 177.965 174.990 -0.087 0.000 1.366 120 C CA 0.440 59.389 59.018 -0.116 0.000 1.763 120 C CB -0.872 26.784 27.740 -0.140 0.000 1.929 120 C HN 0.589 nan 8.230 nan 0.000 0.509 121 A N 1.040 123.812 122.820 -0.080 0.000 1.854 121 A HA -0.057 4.263 4.320 0.000 0.000 0.214 121 A C 1.978 179.547 177.584 -0.025 0.000 1.192 121 A CA 1.321 53.323 52.037 -0.058 0.000 0.611 121 A CB -0.631 18.337 19.000 -0.055 0.000 0.832 121 A HN 0.514 nan 8.150 nan 0.000 0.442 122 I N 0.112 120.679 120.570 -0.005 0.000 2.236 122 I HA -0.388 3.783 4.170 0.000 0.000 0.249 122 I C 2.913 179.026 176.117 -0.007 0.000 1.102 122 I CA 1.274 62.586 61.300 0.020 0.000 1.365 122 I CB -0.423 37.575 38.000 -0.003 0.000 1.051 122 I HN 0.403 nan 8.210 nan 0.000 0.420 123 A N 0.985 123.784 122.820 -0.034 0.000 1.873 123 A HA -0.103 4.217 4.320 0.000 0.000 0.215 123 A C 2.491 180.059 177.584 -0.027 0.000 1.186 123 A CA 1.828 53.843 52.037 -0.038 0.000 0.616 123 A CB -1.453 17.515 19.000 -0.054 0.000 0.823 123 A HN 0.446 nan 8.150 nan 0.000 0.442 124 G N -0.326 108.455 108.800 -0.031 0.000 2.476 124 G HA2 -0.094 3.866 3.960 0.000 0.000 0.218 124 G HA3 -0.094 3.866 3.960 0.000 0.000 0.218 124 G C 1.782 176.674 174.900 -0.014 0.000 1.164 124 G CA 1.908 46.992 45.100 -0.026 0.000 0.768 124 G HN 0.843 nan 8.290 nan 0.000 0.560 125 A N 0.585 123.403 122.820 -0.003 0.000 1.858 125 A HA 0.065 4.385 4.320 0.000 0.000 0.216 125 A C 2.482 180.077 177.584 0.018 0.000 1.190 125 A CA 1.446 53.490 52.037 0.012 0.000 0.617 125 A CB -0.595 18.424 19.000 0.032 0.000 0.827 125 A HN 0.349 nan 8.150 nan 0.000 0.443 126 L N -0.220 121.015 121.223 0.019 0.000 2.021 126 L HA -0.270 4.070 4.340 0.000 0.000 0.215 126 L C 2.529 179.405 176.870 0.010 0.000 1.074 126 L CA 1.272 56.122 54.840 0.018 0.000 0.760 126 L CB -0.698 41.362 42.059 0.002 0.000 0.889 126 L HN 0.372 nan 8.230 nan 0.000 0.433 127 I N -0.186 120.383 120.570 -0.002 0.000 2.052 127 I HA -0.350 3.820 4.170 0.000 0.000 0.235 127 I C 2.615 178.733 176.117 0.001 0.000 1.046 127 I CA 1.669 62.967 61.300 -0.005 0.000 1.308 127 I CB -1.196 36.796 38.000 -0.013 0.000 1.031 127 I HN 0.170 nan 8.210 nan 0.000 0.395 128 I N 1.011 121.578 120.570 -0.006 0.000 2.087 128 I HA -0.329 3.841 4.170 0.000 0.000 0.240 128 I C 2.640 178.767 176.117 0.016 0.000 1.054 128 I CA 2.048 63.339 61.300 -0.016 0.000 1.311 128 I CB -1.856 36.129 38.000 -0.025 0.000 1.024 128 I HN 0.290 nan 8.210 nan 0.000 0.402 129 T N 1.628 116.208 114.554 0.042 0.000 2.737 129 T HA -0.184 4.166 4.350 0.000 0.000 0.269 129 T C 2.129 176.900 174.700 0.118 0.000 1.040 129 T CA 1.227 63.391 62.100 0.106 0.000 1.142 129 T CB -0.366 68.565 68.868 0.104 0.000 0.861 129 T HN 0.252 nan 8.240 nan 0.000 0.456 130 L N -0.009 121.249 121.223 0.059 0.000 2.027 130 L HA 0.005 4.345 4.340 0.000 0.000 0.206 130 L C 2.468 179.376 176.870 0.063 0.000 1.074 130 L CA 1.190 56.051 54.840 0.036 0.000 0.745 130 L CB -0.458 41.605 42.059 0.007 0.000 0.898 130 L HN 0.282 nan 8.230 nan 0.000 0.433 131 I N -0.353 120.256 120.570 0.064 0.000 2.226 131 I HA -0.330 3.840 4.170 0.000 0.000 0.245 131 I C 2.456 178.653 176.117 0.132 0.000 1.100 131 I CA 1.309 62.669 61.300 0.101 0.000 1.374 131 I CB -0.313 37.688 38.000 0.003 0.000 1.057 131 I HN 0.226 nan 8.210 nan 0.000 0.413 132 L N -0.008 121.263 121.223 0.080 0.000 2.012 132 L HA -0.244 4.096 4.340 0.000 0.000 0.210 132 L C 2.617 179.690 176.870 0.338 0.000 1.073 132 L CA 1.136 56.083 54.840 0.179 0.000 0.748 132 L CB -0.528 41.676 42.059 0.242 0.000 0.891 132 L HN 0.275 nan 8.230 nan 0.000 0.431 133 L N -0.003 121.350 121.223 0.217 0.000 2.083 133 L HA -0.202 4.139 4.340 0.000 0.000 0.209 133 L C 2.675 179.560 176.870 0.024 0.000 1.083 133 L CA 1.565 56.382 54.840 -0.038 0.000 0.752 133 L CB -0.519 41.455 42.059 -0.142 0.000 0.899 133 L HN 0.091 nan 8.230 nan 0.000 0.433 134 R N -1.095 119.476 120.500 0.118 0.000 2.080 134 R HA -0.183 4.157 4.340 0.000 0.000 0.236 134 R C 2.060 178.462 176.300 0.170 0.000 1.137 134 R CA 1.940 58.106 56.100 0.110 0.000 0.943 134 R CB -0.726 29.670 30.300 0.160 0.000 0.846 134 R HN 0.317 nan 8.270 nan 0.000 0.431 135 F N 0.121 120.097 119.950 0.043 0.000 2.333 135 F HA 0.038 4.565 4.527 0.000 0.000 0.300 135 F C 2.195 178.056 175.800 0.102 0.000 1.083 135 F CA 0.982 59.028 58.000 0.076 0.000 1.395 135 F CB -0.590 38.464 39.000 0.090 0.000 1.056 135 F HN 0.187 nan 8.300 nan 0.000 0.529 136 A N -0.208 122.767 122.820 0.258 0.000 2.016 136 A HA -0.058 4.262 4.320 0.000 0.000 0.217 136 A C 2.325 179.953 177.584 0.074 0.000 1.162 136 A CA 0.810 52.934 52.037 0.144 0.000 0.662 136 A CB -0.296 18.665 19.000 -0.065 0.000 0.812 136 A HN 0.277 nan 8.150 nan 0.000 0.450 137 R N -0.598 119.935 120.500 0.055 0.000 2.057 137 R HA 0.068 4.408 4.340 0.000 0.000 0.224 137 R C 2.238 178.585 176.300 0.078 0.000 1.136 137 R CA 0.976 57.117 56.100 0.067 0.000 0.968 137 R CB -0.283 30.041 30.300 0.041 0.000 0.863 137 R HN 0.390 nan 8.270 nan 0.000 0.433 138 R N -0.317 120.219 120.500 0.060 0.000 2.193 138 R HA -0.080 4.260 4.340 0.000 0.000 0.229 138 R C 0.232 176.620 176.300 0.146 0.000 1.110 138 R CA 1.042 57.178 56.100 0.061 0.000 0.988 138 R CB -0.119 30.170 30.300 -0.019 0.000 0.871 138 R HN 0.229 nan 8.270 nan 0.000 0.458 139 H N -0.404 118.681 119.070 0.025 0.000 2.661 139 H HA 0.179 4.735 4.556 0.000 0.000 0.243 139 H C -1.564 173.809 175.328 0.076 0.000 1.410 139 H CA -0.632 55.442 56.048 0.043 0.000 1.509 139 H CB 0.239 30.022 29.762 0.034 0.000 1.761 139 H HN -0.109 nan 8.280 nan 0.000 0.576 140 L N 2.713 123.935 121.223 -0.001 0.000 2.638 140 L HA 0.298 4.639 4.340 0.000 0.000 0.273 140 L C -0.263 176.616 176.870 0.014 0.000 1.147 140 L CA 0.891 55.751 54.840 0.033 0.000 0.941 140 L CB -0.285 41.783 42.059 0.016 0.000 1.251 140 L HN 0.507 nan 8.230 nan 0.000 0.479 141 S N 1.511 117.269 115.700 0.098 0.000 2.535 141 S HA 0.354 4.824 4.470 0.000 0.000 0.272 141 S C 0.865 175.541 174.600 0.126 0.000 1.149 141 S CA -0.049 58.210 58.200 0.098 0.000 0.888 141 S CB 1.318 64.599 63.200 0.136 0.000 1.110 141 S HN 0.776 nan 8.310 nan 0.000 0.463 142 T N 1.450 116.064 114.554 0.099 0.000 2.904 142 T HA -0.017 4.333 4.350 0.000 0.000 0.267 142 T C 1.671 176.422 174.700 0.085 0.000 1.059 142 T CA 1.720 63.877 62.100 0.094 0.000 1.137 142 T CB -0.441 68.469 68.868 0.071 0.000 0.879 142 T HN 0.388 nan 8.240 nan 0.000 0.467 143 S N 1.171 116.922 115.700 0.085 0.000 2.362 143 S HA 0.088 4.558 4.470 0.000 0.000 0.221 143 S C 2.069 176.725 174.600 0.093 0.000 1.032 143 S CA 0.855 59.102 58.200 0.078 0.000 0.973 143 S CB -0.337 62.908 63.200 0.075 0.000 0.849 143 S HN 0.526 nan 8.310 nan 0.000 0.465 144 R N 1.443 122.022 120.500 0.132 0.000 2.132 144 R HA -0.098 4.242 4.340 0.000 0.000 0.233 144 R C 2.158 178.544 176.300 0.144 0.000 1.125 144 R CA 1.657 57.856 56.100 0.164 0.000 0.914 144 R CB -0.845 29.602 30.300 0.244 0.000 0.845 144 R HN 0.322 nan 8.270 nan 0.000 0.431 145 L N 0.187 121.510 121.223 0.166 0.000 2.051 145 L HA -0.236 4.104 4.340 0.000 0.000 0.214 145 L C 2.472 179.359 176.870 0.029 0.000 1.076 145 L CA 1.049 55.971 54.840 0.138 0.000 0.758 145 L CB -0.621 41.568 42.059 0.217 0.000 0.890 145 L HN 0.316 nan 8.230 nan 0.000 0.433 146 L N -0.594 120.645 121.223 0.027 0.000 2.141 146 L HA -0.155 4.185 4.340 0.000 0.000 0.209 146 L C 2.180 179.046 176.870 -0.007 0.000 1.094 146 L CA 1.553 56.387 54.840 -0.011 0.000 0.763 146 L CB -0.327 41.735 42.059 0.006 0.000 0.908 146 L HN 0.113 nan 8.230 nan 0.000 0.437 147 L N -1.287 119.948 121.223 0.020 0.000 1.993 147 L HA -0.111 4.229 4.340 0.000 0.000 0.206 147 L C 2.666 179.531 176.870 -0.009 0.000 1.074 147 L CA 1.134 55.985 54.840 0.018 0.000 0.746 147 L CB -1.090 40.996 42.059 0.045 0.000 0.896 147 L HN 0.276 nan 8.230 nan 0.000 0.435 148 A N 0.647 123.460 122.820 -0.012 0.000 1.870 148 A HA -0.265 4.055 4.320 0.000 0.000 0.219 148 A C 2.354 179.864 177.584 -0.124 0.000 1.224 148 A CA 2.415 54.392 52.037 -0.100 0.000 0.650 148 A CB -1.719 17.173 19.000 -0.180 0.000 0.836 148 A HN 0.501 nan 8.150 nan 0.000 0.454 149 G N -0.704 108.029 108.800 -0.112 0.000 2.631 149 G HA2 -0.294 3.666 3.960 0.000 0.000 0.219 149 G HA3 -0.294 3.666 3.960 0.000 0.000 0.219 149 G C 1.553 176.403 174.900 -0.083 0.000 1.214 149 G CA 2.053 47.084 45.100 -0.115 0.000 0.785 149 G HN 0.502 nan 8.290 nan 0.000 0.596 150 V N 1.746 121.624 119.914 -0.060 0.000 2.278 150 V HA -0.232 3.889 4.120 0.000 0.000 0.251 150 V C 3.364 179.441 176.094 -0.029 0.000 1.062 150 V CA 2.466 64.745 62.300 -0.035 0.000 1.038 150 V CB -1.212 30.601 31.823 -0.017 0.000 0.646 150 V HN 0.583 nan 8.190 nan 0.000 0.447 151 A N -0.001 122.797 122.820 -0.036 0.000 1.851 151 A HA -0.198 4.122 4.320 0.000 0.000 0.216 151 A C 2.189 179.748 177.584 -0.042 0.000 1.195 151 A CA 2.174 54.192 52.037 -0.032 0.000 0.622 151 A CB -0.694 18.284 19.000 -0.037 0.000 0.831 151 A HN 0.525 nan 8.150 nan 0.000 0.444 152 L N -0.589 120.588 121.223 -0.076 0.000 2.127 152 L HA -0.157 4.183 4.340 0.000 0.000 0.211 152 L C 2.766 179.610 176.870 -0.042 0.000 1.089 152 L CA 0.985 55.779 54.840 -0.077 0.000 0.757 152 L CB -1.065 40.922 42.059 -0.119 0.000 0.899 152 L HN 0.522 nan 8.230 nan 0.000 0.434 153 G N 0.776 109.554 108.800 -0.036 0.000 2.433 153 G HA2 -0.217 3.743 3.960 0.000 0.000 0.216 153 G HA3 -0.217 3.743 3.960 0.000 0.000 0.216 153 G C 1.515 176.420 174.900 0.008 0.000 1.186 153 G CA 0.553 45.645 45.100 -0.014 0.000 0.779 153 G HN 0.131 nan 8.290 nan 0.000 0.543 154 I N 1.280 121.856 120.570 0.011 0.000 2.127 154 I HA -0.152 4.018 4.170 0.000 0.000 0.241 154 I C 2.891 179.036 176.117 0.046 0.000 1.075 154 I CA 1.038 62.357 61.300 0.032 0.000 1.334 154 I CB -1.175 36.843 38.000 0.030 0.000 1.040 154 I HN 0.183 nan 8.210 nan 0.000 0.405 155 I N 0.517 121.101 120.570 0.023 0.000 2.194 155 I HA -0.375 3.795 4.170 0.000 0.000 0.246 155 I C 2.729 178.868 176.117 0.035 0.000 1.093 155 I CA 1.398 62.710 61.300 0.019 0.000 1.355 155 I CB -0.444 37.548 38.000 -0.014 0.000 1.046 155 I HN 0.294 nan 8.210 nan 0.000 0.413 156 C N -0.154 119.162 119.300 0.026 0.000 2.432 156 C HA -0.084 4.376 4.460 0.000 0.000 0.280 156 C C 3.133 178.163 174.990 0.068 0.000 1.353 156 C CA 0.910 59.949 59.018 0.034 0.000 1.766 156 C CB -0.917 26.832 27.740 0.014 0.000 1.924 156 C HN 0.487 nan 8.230 nan 0.000 0.509 157 S N 0.908 116.654 115.700 0.078 0.000 2.371 157 S HA -0.051 4.419 4.470 0.000 0.000 0.224 157 S C 2.189 176.883 174.600 0.157 0.000 1.029 157 S CA 1.192 59.450 58.200 0.096 0.000 0.978 157 S CB -0.385 62.861 63.200 0.077 0.000 0.833 157 S HN 0.704 nan 8.310 nan 0.000 0.466 158 A N 2.240 125.190 122.820 0.217 0.000 1.834 158 A HA 0.013 4.333 4.320 0.000 0.000 0.216 158 A C 1.165 179.017 177.584 0.446 0.000 1.203 158 A CA 0.927 53.234 52.037 0.450 0.000 0.621 158 A CB -1.158 18.058 19.000 0.361 0.000 0.841 158 A HN 0.415 nan 8.150 nan 0.000 0.446 162 W N 2.156 123.522 121.300 0.110 0.000 2.525 162 W HA 0.503 5.163 4.660 0.000 0.000 0.259 162 W C 2.475 179.088 176.519 0.158 0.000 1.253 162 W CA 1.073 58.505 57.345 0.145 0.000 1.262 162 W CB -0.191 29.310 29.460 0.068 0.000 1.122 162 W HN 0.654 nan 8.180 nan 0.000 0.607 163 A N -0.771 122.237 122.820 0.313 0.000 2.044 163 A HA -0.008 4.312 4.320 0.000 0.000 0.213 163 A C 1.724 179.444 177.584 0.227 0.000 1.169 163 A CA 0.572 52.748 52.037 0.231 0.000 0.724 163 A CB -0.414 18.679 19.000 0.155 0.000 0.840 163 A HN -0.000 nan 8.150 nan 0.000 0.463 164 I N -0.935 119.760 120.570 0.208 0.000 2.286 164 I HA -0.149 4.021 4.170 0.000 0.000 0.245 164 I C 2.373 178.592 176.117 0.169 0.000 1.104 164 I CA 1.282 62.686 61.300 0.173 0.000 1.397 164 I CB -1.654 36.441 38.000 0.158 0.000 1.072 164 I HN 0.565 nan 8.210 nan 0.000 0.417 165 Y N 1.629 121.981 120.300 0.086 0.000 2.145 165 Y HA -0.286 4.264 4.550 0.000 0.000 0.286 165 Y C 2.588 178.561 175.900 0.123 0.000 1.145 165 Y CA 1.224 59.358 58.100 0.058 0.000 1.148 165 Y CB -0.985 37.473 38.460 -0.003 0.000 0.981 165 Y HN 0.026 nan 8.280 nan 0.000 0.507 166 F N 0.386 120.140 119.950 -0.327 0.000 2.091 166 F HA -0.237 4.290 4.527 0.000 0.000 0.299 166 F C 2.930 178.582 175.800 -0.247 0.000 1.103 166 F CA 2.217 59.989 58.000 -0.380 0.000 1.228 166 F CB -1.076 37.868 39.000 -0.093 0.000 0.984 166 F HN 0.202 nan 8.300 nan 0.000 0.477 167 S N -1.465 114.221 115.700 -0.023 0.000 2.406 167 S HA -0.118 4.352 4.470 0.000 0.000 0.228 167 S C 1.245 175.778 174.600 -0.112 0.000 1.020 167 S CA 1.717 59.877 58.200 -0.067 0.000 0.965 167 S CB -0.457 62.769 63.200 0.042 0.000 0.798 167 S HN 0.631 nan 8.310 nan 0.000 0.488 168 T N 0.199 114.699 114.554 -0.090 0.000 7.679 168 T HA -0.169 4.181 4.350 0.000 0.000 0.300 168 T C 0.749 175.436 174.700 -0.022 0.000 2.098 168 T CA 1.215 63.276 62.100 -0.065 0.000 3.313 168 T CB -2.189 66.611 68.868 -0.113 0.000 1.898 168 T HN 0.435 nan 8.240 nan 0.000 1.144 169 S N 0.639 116.335 115.700 -0.006 0.000 2.881 169 S HA 0.306 4.776 4.470 0.000 0.000 0.228 169 S C 0.835 175.451 174.600 0.026 0.000 0.965 169 S CA 0.223 58.429 58.200 0.011 0.000 0.998 169 S CB -0.054 63.161 63.200 0.025 0.000 0.795 169 S HN 0.653 nan 8.310 nan 0.000 0.518 170 V N 1.831 121.758 119.914 0.021 0.000 2.953 170 V HA 0.320 4.440 4.120 0.000 0.000 0.304 170 V C -0.833 175.247 176.094 -0.025 0.000 1.073 170 V CA -0.268 62.038 62.300 0.011 0.000 1.064 170 V CB 1.370 33.212 31.823 0.032 0.000 1.047 170 V HN 0.220 nan 8.190 nan 0.000 0.478 171 D N 4.904 125.263 120.400 -0.068 0.000 2.375 171 D HA 0.229 4.869 4.640 0.000 0.000 0.241 171 D C 0.919 177.156 176.300 -0.105 0.000 1.361 171 D CA -0.327 53.623 54.000 -0.083 0.000 0.995 171 D CB 1.759 42.495 40.800 -0.107 0.000 1.312 171 D HN 0.454 nan 8.370 nan 0.000 0.576 172 L N 0.903 122.084 121.223 -0.071 0.000 2.230 172 L HA -0.309 4.031 4.340 0.000 0.000 0.217 172 L C 2.367 179.180 176.870 -0.095 0.000 1.090 172 L CA 1.647 56.441 54.840 -0.078 0.000 0.771 172 L CB -0.289 41.734 42.059 -0.060 0.000 0.892 172 L HN 0.206 nan 8.230 nan 0.000 0.438 173 R N -0.593 119.873 120.500 -0.057 0.000 2.052 173 R HA -0.093 4.247 4.340 0.000 0.000 0.224 173 R C 2.230 178.561 176.300 0.050 0.000 1.165 173 R CA 0.970 57.112 56.100 0.070 0.000 0.939 173 R CB -0.499 29.929 30.300 0.213 0.000 0.834 173 R HN 0.329 nan 8.270 nan 0.000 0.435 174 Q N 0.750 120.411 119.800 -0.232 0.000 2.182 174 Q HA -0.205 4.135 4.340 0.000 0.000 0.213 174 Q C 0.941 176.268 176.000 -1.122 0.000 1.000 174 Q CA 1.189 56.508 55.803 -0.807 0.000 0.889 174 Q CB -0.388 27.775 28.738 -0.957 0.000 0.932 174 Q HN 0.087 nan 8.270 nan 0.000 0.415 182 G N -1.068 107.828 108.800 0.160 0.000 2.443 182 G HA2 0.515 4.475 3.960 0.000 0.000 0.303 182 G HA3 0.515 4.475 3.960 0.000 0.000 0.303 182 G C -1.057 173.919 174.900 0.127 0.000 1.613 182 G CA -0.601 44.642 45.100 0.239 0.000 0.879 182 G HN 0.692 nan 8.290 nan 0.000 0.632 183 F N 2.416 122.399 119.950 0.054 0.000 2.916 183 F HA 0.331 4.858 4.527 0.000 0.000 0.294 183 F C 1.894 177.686 175.800 -0.014 0.000 1.189 183 F CA 0.058 58.066 58.000 0.014 0.000 1.369 183 F CB 0.984 39.978 39.000 -0.010 0.000 0.961 183 F HN 0.632 nan 8.300 nan 0.000 0.508 184 G N 0.188 109.051 108.800 0.105 0.000 2.404 184 G HA2 -0.101 3.859 3.960 0.000 0.000 0.215 184 G HA3 -0.101 3.859 3.960 0.000 0.000 0.215 184 G C 1.632 176.517 174.900 -0.026 0.000 1.174 184 G CA 0.684 45.790 45.100 0.010 0.000 0.780 184 G HN 0.504 nan 8.290 nan 0.000 0.537 185 G N -0.049 108.734 108.800 -0.028 0.000 4.125 185 G HA2 0.425 4.385 3.960 0.000 0.000 0.301 185 G HA3 0.425 4.385 3.960 0.000 0.000 0.301 185 G C -0.590 174.291 174.900 -0.031 0.000 1.273 185 G CA -0.242 44.838 45.100 -0.034 0.000 1.095 185 G HN 0.197 nan 8.290 nan 0.000 0.582 186 V N 1.274 121.168 119.914 -0.033 0.000 2.385 186 V HA 0.311 4.431 4.120 0.000 0.000 0.269 186 V C -0.407 175.610 176.094 -0.129 0.000 1.043 186 V CA -0.499 61.769 62.300 -0.053 0.000 0.906 186 V CB 1.305 33.130 31.823 0.004 0.000 0.995 186 V HN 0.341 nan 8.190 nan 0.000 0.467 187 D N 2.793 123.123 120.400 -0.117 0.000 2.497 187 D HA 0.272 4.912 4.640 0.000 0.000 0.243 187 D C 0.346 176.573 176.300 -0.122 0.000 1.039 187 D CA -0.629 53.272 54.000 -0.165 0.000 1.052 187 D CB 1.813 42.588 40.800 -0.042 0.000 1.344 187 D HN 0.422 nan 8.370 nan 0.000 0.553 188 W N 0.647 121.925 121.300 -0.037 0.000 2.468 188 W HA -0.064 4.596 4.660 0.000 0.000 0.262 188 W C 1.875 178.415 176.519 0.036 0.000 1.241 188 W CA 0.103 57.426 57.345 -0.037 0.000 1.232 188 W CB 0.101 29.523 29.460 -0.062 0.000 1.124 188 W HN 0.235 nan 8.180 nan 0.000 0.597 189 R N 1.228 121.883 120.500 0.258 0.000 2.526 189 R HA 0.001 4.341 4.340 0.000 0.000 0.223 189 R C 0.275 176.698 176.300 0.205 0.000 1.250 189 R CA 0.632 56.864 56.100 0.220 0.000 1.227 189 R CB -0.712 29.680 30.300 0.153 0.000 1.109 189 R HN 0.345 nan 8.270 nan 0.000 0.499 190 Q N -0.158 119.768 119.800 0.211 0.000 1.983 190 Q HA 0.073 4.413 4.340 0.000 0.000 0.204 190 Q C 0.459 176.588 176.000 0.215 0.000 0.789 190 Q CA 0.177 56.093 55.803 0.188 0.000 1.007 190 Q CB 1.452 30.245 28.738 0.093 0.000 1.229 190 Q HN 0.419 nan 8.270 nan 0.000 0.431 191 S N -0.977 114.881 115.700 0.263 0.000 2.515 191 S HA -0.096 4.374 4.470 0.000 0.000 0.231 191 S C 1.055 175.727 174.600 0.119 0.000 0.987 191 S CA 0.200 58.524 58.200 0.206 0.000 0.936 191 S CB -0.290 63.055 63.200 0.242 0.000 0.766 191 S HN 0.458 nan 8.310 nan 0.000 0.528 192 W N 1.793 123.168 121.300 0.125 0.000 2.436 192 W HA 0.362 5.022 4.660 0.000 0.000 0.284 192 W C 1.146 177.747 176.519 0.137 0.000 1.225 192 W CA -0.223 57.192 57.345 0.117 0.000 1.271 192 W CB -0.288 29.244 29.460 0.120 0.000 1.114 192 W HN 0.198 nan 8.180 nan 0.000 0.559 196 A N 0.413 123.353 122.820 0.200 0.000 2.067 196 A HA -0.261 4.059 4.320 0.000 0.000 0.224 196 A C 1.916 179.679 177.584 0.299 0.000 1.172 196 A CA 2.339 54.590 52.037 0.358 0.000 0.662 196 A CB -0.474 18.784 19.000 0.429 0.000 0.814 196 A HN 0.317 nan 8.150 nan 0.000 0.468 197 L N -0.686 120.598 121.223 0.102 0.000 2.131 197 L HA 0.031 4.371 4.340 0.000 0.000 0.206 197 L C 2.323 179.105 176.870 -0.147 0.000 1.087 197 L CA 1.215 55.998 54.840 -0.095 0.000 0.767 197 L CB -0.467 41.573 42.059 -0.032 0.000 0.917 197 L HN 0.438 nan 8.230 nan 0.000 0.441 198 I N -0.203 120.345 120.570 -0.036 0.000 2.151 198 I HA -0.293 3.877 4.170 0.000 0.000 0.243 198 I C -0.306 175.794 176.117 -0.029 0.000 1.080 198 I CA 1.408 62.694 61.300 -0.022 0.000 1.339 198 I CB -1.541 36.468 38.000 0.015 0.000 1.039 198 I HN 0.236 nan 8.210 nan 0.000 0.409 199 P HA -0.220 nan 4.420 nan 0.000 0.208 199 P C 1.984 179.261 177.300 -0.038 0.000 1.180 199 P CA 1.384 64.517 63.100 0.056 0.000 0.935 199 P CB -0.126 31.711 31.700 0.229 0.000 0.785 200 V N -0.436 119.234 119.914 -0.406 0.000 2.250 200 V HA -0.303 3.817 4.120 0.000 0.000 0.250 200 V C 2.277 178.305 176.094 -0.109 0.000 1.060 200 V CA 1.930 63.975 62.300 -0.426 0.000 1.030 200 V CB -1.338 29.711 31.823 -1.289 0.000 0.643 200 V HN 0.003 nan 8.190 nan 0.000 0.445 201 L N -0.950 120.162 121.223 -0.186 0.000 2.021 201 L HA -0.278 4.062 4.340 0.000 0.000 0.215 201 L C 2.488 179.358 176.870 0.000 0.000 1.074 201 L CA 2.407 57.201 54.840 -0.077 0.000 0.760 201 L CB -0.484 41.530 42.059 -0.075 0.000 0.889 201 L HN 0.384 nan 8.230 nan 0.000 0.433 202 L N -2.123 119.119 121.223 0.032 0.000 1.988 202 L HA -0.260 4.080 4.340 0.000 0.000 0.207 202 L C 2.383 179.314 176.870 0.103 0.000 1.071 202 L CA 1.675 56.553 54.840 0.063 0.000 0.744 202 L CB -0.805 41.302 42.059 0.080 0.000 0.893 202 L HN 0.406 nan 8.230 nan 0.000 0.433 203 W N 1.055 122.358 121.300 0.005 0.000 2.301 203 W HA -0.326 4.334 4.660 0.000 0.000 0.325 203 W C 2.442 178.991 176.519 0.051 0.000 1.250 203 W CA 2.161 59.534 57.345 0.048 0.000 1.261 203 W CB -0.413 29.091 29.460 0.074 0.000 1.157 203 W HN 0.078 nan 8.180 nan 0.000 0.473 204 I N -0.170 120.466 120.570 0.110 0.000 2.264 204 I HA -0.366 3.804 4.170 0.000 0.000 0.248 204 I C 2.155 178.143 176.117 -0.216 0.000 1.111 204 I CA 1.843 63.051 61.300 -0.153 0.000 1.382 204 I CB -0.586 37.478 38.000 0.108 0.000 1.060 204 I HN 0.086 nan 8.210 nan 0.000 0.418 205 C N 0.220 119.454 119.300 -0.110 0.000 2.430 205 C HA -0.140 4.320 4.460 0.000 0.000 0.288 205 C C 2.703 177.616 174.990 -0.128 0.000 1.448 205 C CA 0.701 59.664 59.018 -0.093 0.000 1.784 205 C CB -1.677 26.039 27.740 -0.039 0.000 1.776 205 C HN 0.694 nan 8.230 nan 0.000 0.547 206 C N -0.880 118.297 119.300 -0.204 0.000 2.865 206 C HA 0.084 4.544 4.460 0.000 0.000 0.280 206 C C 1.504 176.330 174.990 -0.273 0.000 1.255 206 C CA 0.067 58.968 59.018 -0.195 0.000 1.705 206 C CB -0.867 26.778 27.740 -0.158 0.000 2.080 206 C HN 0.542 nan 8.230 nan 0.000 0.591 207 Q N 1.570 121.114 119.800 -0.428 0.000 2.945 207 Q HA 0.056 4.396 4.340 0.000 0.000 0.323 207 Q C 1.611 177.379 176.000 -0.386 0.000 1.188 207 Q CA 0.216 55.736 55.803 -0.472 0.000 0.929 207 Q CB -0.209 28.127 28.738 -0.670 0.000 1.531 207 Q HN 0.826 nan 8.270 nan 0.000 0.444 208 S N -0.567 114.980 115.700 -0.256 0.000 2.371 208 S HA -0.108 4.362 4.470 0.000 0.000 0.224 208 S C 1.712 176.194 174.600 -0.197 0.000 1.029 208 S CA 0.219 58.314 58.200 -0.176 0.000 0.978 208 S CB 0.044 63.210 63.200 -0.057 0.000 0.833 208 S HN 0.398 nan 8.310 nan 0.000 0.466 209 R N 2.109 122.485 120.500 -0.207 0.000 2.115 209 R HA -0.022 4.318 4.340 0.000 0.000 0.239 209 R C -1.292 174.826 176.300 -0.305 0.000 1.133 209 R CA 1.286 57.267 56.100 -0.199 0.000 0.935 209 R CB -2.362 27.836 30.300 -0.170 0.000 0.853 209 R HN 0.420 nan 8.270 nan 0.000 0.433 215 A N 0.280 123.129 122.820 0.049 0.000 2.019 215 A HA -0.088 4.232 4.320 0.000 0.000 0.219 215 A C 2.010 179.623 177.584 0.047 0.000 1.164 215 A CA 2.002 54.087 52.037 0.079 0.000 0.644 215 A CB -0.600 18.479 19.000 0.131 0.000 0.805 215 A HN 0.423 nan 8.150 nan 0.000 0.449 216 L N -1.311 119.929 121.223 0.029 0.000 2.042 216 L HA 0.076 4.416 4.340 0.000 0.000 0.210 216 L C 1.289 178.170 176.870 0.018 0.000 1.076 216 L CA 0.941 55.791 54.840 0.016 0.000 0.749 216 L CB -0.741 41.322 42.059 0.006 0.000 0.893 216 L HN 0.618 nan 8.230 nan 0.000 0.432 217 G N -0.962 107.852 108.800 0.022 0.000 2.801 217 G HA2 -0.077 3.883 3.960 0.000 0.000 0.648 217 G HA3 -0.077 3.883 3.960 0.000 0.000 0.648 217 G C 0.037 174.947 174.900 0.016 0.000 1.415 217 G CA -0.093 45.021 45.100 0.024 0.000 0.887 217 G HN 0.138 nan 8.290 nan 0.000 0.627 218 E N 0.747 120.960 120.200 0.022 0.000 2.360 218 E HA -0.350 4.000 4.350 0.000 0.000 0.251 218 E C 2.324 178.914 176.600 -0.016 0.000 1.042 218 E CA 2.684 59.090 56.400 0.009 0.000 1.063 218 E CB -0.265 29.443 29.700 0.013 0.000 0.970 218 E HN 0.637 nan 8.360 nan 0.000 0.513 219 I N 0.202 120.760 120.570 -0.021 0.000 2.068 219 I HA -0.347 3.823 4.170 0.000 0.000 0.238 219 I C 2.833 178.937 176.117 -0.022 0.000 1.046 219 I CA 1.639 62.922 61.300 -0.029 0.000 1.306 219 I CB -0.635 37.351 38.000 -0.023 0.000 1.023 219 I HN 0.200 nan 8.210 nan 0.000 0.399 220 S N 0.284 115.977 115.700 -0.012 0.000 2.365 220 S HA -0.261 4.209 4.470 0.000 0.000 0.225 220 S C 2.204 176.799 174.600 -0.008 0.000 1.039 220 S CA 1.630 59.824 58.200 -0.009 0.000 1.033 220 S CB -0.450 62.747 63.200 -0.004 0.000 0.887 220 S HN 0.569 nan 8.310 nan 0.000 0.447 221 A N 1.660 124.478 122.820 -0.004 0.000 1.883 221 A HA -0.186 4.134 4.320 0.000 0.000 0.217 221 A C 2.154 179.737 177.584 -0.001 0.000 1.186 221 A CA 1.632 53.670 52.037 0.001 0.000 0.624 221 A CB -0.547 18.461 19.000 0.013 0.000 0.822 221 A HN 0.489 nan 8.150 nan 0.000 0.444 222 R N -0.508 119.980 120.500 -0.019 0.000 2.082 222 R HA -0.178 4.162 4.340 0.000 0.000 0.228 222 R C 2.501 178.784 176.300 -0.028 0.000 1.140 222 R CA 1.717 57.795 56.100 -0.038 0.000 0.920 222 R CB -0.663 29.586 30.300 -0.084 0.000 0.828 222 R HN 0.779 nan 8.270 nan 0.000 0.430 223 Q N 1.236 121.018 119.800 -0.030 0.000 2.404 223 Q HA -0.164 4.176 4.340 0.000 0.000 0.214 223 Q C 1.455 177.447 176.000 -0.013 0.000 0.992 223 Q CA 1.618 57.408 55.803 -0.023 0.000 0.899 223 Q CB -0.479 28.247 28.738 -0.021 0.000 0.921 223 Q HN 0.411 nan 8.270 nan 0.000 0.453 224 L N -0.616 120.603 121.223 -0.008 0.000 2.591 224 L HA 0.246 4.586 4.340 0.000 0.000 0.228 224 L C 0.951 177.825 176.870 0.006 0.000 1.133 224 L CA 0.445 55.284 54.840 -0.002 0.000 0.880 224 L CB -0.194 41.863 42.059 -0.002 0.000 1.033 224 L HN 0.693 nan 8.230 nan 0.000 0.450 225 G N 0.503 109.307 108.800 0.007 0.000 2.141 225 G HA2 -0.278 3.682 3.960 0.000 0.000 0.231 225 G HA3 -0.278 3.682 3.960 0.000 0.000 0.231 225 G C -0.075 174.854 174.900 0.048 0.000 0.984 225 G CA 0.004 45.115 45.100 0.019 0.000 0.660 225 G HN 0.184 nan 8.290 nan 0.000 0.525 226 L N 1.623 122.881 121.223 0.058 0.000 2.367 226 L HA 0.626 4.966 4.340 0.000 0.000 0.275 226 L C -1.771 175.206 176.870 0.180 0.000 1.129 226 L CA -1.862 53.053 54.840 0.125 0.000 0.839 226 L CB 0.607 42.722 42.059 0.094 0.000 1.133 226 L HN -0.092 nan 8.230 nan 0.000 0.453 227 P HA 0.057 nan 4.420 nan 0.000 0.235 227 P C 0.642 178.194 177.300 0.419 0.000 1.765 227 P CA -0.179 63.091 63.100 0.283 0.000 1.034 227 P CB 0.243 32.076 31.700 0.222 0.000 1.984 228 L N 1.407 122.795 121.223 0.276 0.000 1.980 228 L HA -0.212 4.129 4.340 0.000 0.000 0.232 228 L C 1.963 179.144 176.870 0.518 0.000 1.092 228 L CA 2.168 57.194 54.840 0.310 0.000 0.808 228 L CB -1.405 40.683 42.059 0.048 0.000 0.908 228 L HN 0.334 nan 8.230 nan 0.000 0.442 229 W N -1.469 119.918 121.300 0.144 0.000 2.275 229 W HA -0.399 4.261 4.660 0.000 0.000 0.321 229 W C 2.549 179.135 176.519 0.112 0.000 1.269 229 W CA 0.822 58.229 57.345 0.103 0.000 1.274 229 W CB -0.616 28.891 29.460 0.079 0.000 1.141 229 W HN 0.399 nan 8.180 nan 0.000 0.493 230 F N -0.201 119.893 119.950 0.240 0.000 2.000 230 F HA -0.279 4.248 4.527 0.000 0.000 0.296 230 F C 2.032 177.834 175.800 0.003 0.000 1.159 230 F CA 2.042 60.041 58.000 -0.002 0.000 1.183 230 F CB -1.419 37.455 39.000 -0.210 0.000 0.959 230 F HN -0.163 nan 8.300 nan 0.000 0.490 231 W N 0.840 122.169 121.300 0.048 0.000 2.308 231 W HA -0.208 4.452 4.660 0.000 0.000 0.301 231 W C 2.741 179.230 176.519 -0.049 0.000 1.220 231 W CA 1.611 58.911 57.345 -0.074 0.000 1.240 231 W CB -0.491 29.057 29.460 0.146 0.000 1.142 231 W HN 0.012 nan 8.180 nan 0.000 0.521 232 R N 0.091 120.744 120.500 0.256 0.000 2.070 232 R HA -0.153 4.187 4.340 0.000 0.000 0.232 232 R C 1.989 178.302 176.300 0.022 0.000 1.138 232 R CA 1.686 57.872 56.100 0.143 0.000 0.936 232 R CB -0.952 29.444 30.300 0.159 0.000 0.839 232 R HN 0.260 nan 8.270 nan 0.000 0.429 233 N N 0.437 119.107 118.700 -0.049 0.000 2.069 233 N HA -0.147 4.593 4.740 0.000 0.000 0.191 233 N C 2.008 177.450 175.510 -0.113 0.000 1.031 233 N CA 1.361 54.350 53.050 -0.101 0.000 0.852 233 N CB -0.388 38.023 38.487 -0.127 0.000 1.018 233 N HN 0.015 nan 8.380 nan 0.000 0.423 234 V N 2.421 122.188 119.914 -0.244 0.000 2.252 234 V HA -0.231 3.889 4.120 0.000 0.000 0.249 234 V C 2.492 178.603 176.094 0.028 0.000 1.056 234 V CA 1.510 63.659 62.300 -0.253 0.000 1.022 234 V CB -0.630 30.829 31.823 -0.607 0.000 0.641 234 V HN 0.253 nan 8.190 nan 0.000 0.445 235 L N -0.591 120.708 121.223 0.126 0.000 2.141 235 L HA -0.123 4.217 4.340 0.000 0.000 0.209 235 L C 2.400 179.355 176.870 0.141 0.000 1.094 235 L CA 0.791 55.746 54.840 0.192 0.000 0.763 235 L CB -0.597 41.572 42.059 0.183 0.000 0.908 235 L HN 0.222 nan 8.230 nan 0.000 0.437 236 V N 0.135 120.102 119.914 0.088 0.000 2.343 236 V HA -0.294 3.826 4.120 0.000 0.000 0.247 236 V C 2.756 178.902 176.094 0.087 0.000 1.051 236 V CA 1.858 64.209 62.300 0.084 0.000 1.036 236 V CB -0.900 30.941 31.823 0.030 0.000 0.654 236 V HN 0.482 nan 8.190 nan 0.000 0.451 237 A N 0.169 123.027 122.820 0.064 0.000 1.841 237 A HA -0.098 4.222 4.320 0.000 0.000 0.214 237 A C 2.490 180.180 177.584 0.178 0.000 1.195 237 A CA 2.122 54.205 52.037 0.076 0.000 0.611 237 A CB -1.064 17.945 19.000 0.015 0.000 0.835 237 A HN 0.571 nan 8.150 nan 0.000 0.443 238 A N -0.940 122.005 122.820 0.208 0.000 1.903 238 A HA -0.203 4.117 4.320 0.000 0.000 0.219 238 A C 2.323 180.039 177.584 0.220 0.000 1.191 238 A CA 2.727 54.932 52.037 0.280 0.000 0.638 238 A CB -1.532 17.660 19.000 0.320 0.000 0.823 238 A HN 0.470 nan 8.150 nan 0.000 0.451 239 T N -0.446 114.209 114.554 0.170 0.000 2.595 239 T HA -0.046 4.304 4.350 0.000 0.000 0.264 239 T C 2.059 176.843 174.700 0.141 0.000 1.058 239 T CA 1.865 64.042 62.100 0.129 0.000 1.166 239 T CB -1.024 67.916 68.868 0.120 0.000 0.863 239 T HN 0.651 nan 8.240 nan 0.000 0.415 240 G N 1.095 109.979 108.800 0.141 0.000 2.556 240 G HA2 -0.242 3.718 3.960 0.000 0.000 0.220 240 G HA3 -0.242 3.718 3.960 0.000 0.000 0.220 240 G C 0.735 175.758 174.900 0.204 0.000 1.156 240 G CA 0.770 45.948 45.100 0.130 0.000 0.766 240 G HN 0.452 nan 8.290 nan 0.000 0.583 244 G N 1.091 109.940 108.800 0.081 0.000 2.553 244 G HA2 -0.237 3.723 3.960 0.000 0.000 0.218 244 G HA3 -0.237 3.723 3.960 0.000 0.000 0.218 244 G C 1.520 176.454 174.900 0.057 0.000 1.195 244 G CA 2.102 47.239 45.100 0.060 0.000 0.779 244 G HN 0.421 nan 8.290 nan 0.000 0.577 245 V N 0.943 120.931 119.914 0.123 0.000 2.287 245 V HA -0.220 3.900 4.120 0.000 0.000 0.248 245 V C 3.121 179.239 176.094 0.041 0.000 1.053 245 V CA 2.328 64.695 62.300 0.112 0.000 1.027 245 V CB -0.864 31.076 31.823 0.196 0.000 0.646 245 V HN 0.388 nan 8.190 nan 0.000 0.447 246 S N -0.040 115.682 115.700 0.036 0.000 2.374 246 S HA -0.204 4.266 4.470 0.000 0.000 0.227 246 S C 1.997 176.567 174.600 -0.048 0.000 1.037 246 S CA 1.754 59.958 58.200 0.006 0.000 1.024 246 S CB -0.358 62.859 63.200 0.028 0.000 0.861 246 S HN 0.410 nan 8.310 nan 0.000 0.456 247 V N 1.809 121.699 119.914 -0.041 0.000 2.358 247 V HA -0.177 3.943 4.120 0.000 0.000 0.246 247 V C 2.622 178.635 176.094 -0.135 0.000 1.047 247 V CA 1.625 63.879 62.300 -0.077 0.000 1.035 247 V CB -1.274 30.514 31.823 -0.059 0.000 0.658 247 V HN 0.544 nan 8.190 nan 0.000 0.452 248 A N -0.255 122.497 122.820 -0.114 0.000 1.902 248 A HA -0.203 4.117 4.320 0.000 0.000 0.217 248 A C 2.181 179.671 177.584 -0.157 0.000 1.181 248 A CA 2.115 54.064 52.037 -0.147 0.000 0.623 248 A CB -0.575 18.373 19.000 -0.087 0.000 0.818 248 A HN 0.430 nan 8.150 nan 0.000 0.443 249 L N -1.341 119.805 121.223 -0.128 0.000 2.027 249 L HA 0.069 4.409 4.340 0.000 0.000 0.206 249 L C 2.123 178.796 176.870 -0.329 0.000 1.074 249 L CA 2.304 57.046 54.840 -0.164 0.000 0.745 249 L CB -0.209 41.786 42.059 -0.107 0.000 0.898 249 L HN 0.356 nan 8.230 nan 0.000 0.433 250 A N -2.228 120.344 122.820 -0.414 0.000 2.661 250 A HA 0.614 4.934 4.320 0.000 0.000 0.278 250 A C 0.855 178.291 177.584 -0.247 0.000 1.090 250 A CA 0.345 52.032 52.037 -0.582 0.000 0.969 250 A CB -0.409 17.682 19.000 -1.515 0.000 1.240 250 A HN 0.637 nan 8.150 nan 0.000 0.578 251 G N -0.334 108.371 108.800 -0.159 0.000 2.693 251 G HA2 0.289 4.249 3.960 0.000 0.000 0.226 251 G HA3 0.289 4.249 3.960 0.000 0.000 0.226 251 G C 0.351 175.244 174.900 -0.012 0.000 1.354 251 G CA -0.343 44.727 45.100 -0.051 0.000 0.873 251 G HN 1.799 nan 8.290 nan 0.000 0.562 252 A N 0.047 122.892 122.820 0.042 0.000 2.805 252 A HA 0.608 4.928 4.320 0.000 0.000 0.301 252 A C 0.722 178.346 177.584 0.066 0.000 1.557 252 A CA 0.017 52.082 52.037 0.047 0.000 1.254 252 A CB -0.658 18.375 19.000 0.054 0.000 1.114 252 A HN 0.836 nan 8.150 nan 0.000 0.553 253 I N 1.716 122.328 120.570 0.071 0.000 2.532 253 I HA 0.556 4.726 4.170 0.000 0.000 0.292 253 I C 0.967 177.146 176.117 0.105 0.000 1.014 253 I CA -0.033 61.328 61.300 0.103 0.000 1.340 253 I CB 1.779 39.865 38.000 0.144 0.000 1.422 253 I HN 0.584 nan 8.210 nan 0.000 0.528 254 G N 2.911 111.792 108.800 0.134 0.000 2.690 254 G HA2 0.604 4.564 3.960 0.000 0.000 0.291 254 G HA3 0.604 4.564 3.960 0.000 0.000 0.291 254 G C -0.721 174.392 174.900 0.355 0.000 1.403 254 G CA -0.467 44.755 45.100 0.205 0.000 0.864 254 G HN 0.485 nan 8.290 nan 0.000 0.480 255 F N -1.274 118.654 119.950 -0.037 0.000 2.999 255 F HA -0.185 4.342 4.527 0.000 0.000 0.291 255 F C 1.490 177.284 175.800 -0.010 0.000 0.824 255 F CA 1.009 58.982 58.000 -0.045 0.000 1.255 255 F CB -1.620 37.361 39.000 -0.031 0.000 1.333 255 F HN 0.643 nan 8.300 nan 0.000 0.502 256 I N -4.616 116.024 120.570 0.117 0.000 4.471 256 I HA 0.463 4.633 4.170 0.000 0.000 0.326 256 I C 1.891 178.017 176.117 0.015 0.000 1.300 256 I CA 0.897 62.243 61.300 0.077 0.000 1.237 256 I CB -0.104 37.943 38.000 0.079 0.000 1.195 256 I HN 0.028 nan 8.210 nan 0.000 0.427 257 G N 1.795 110.584 108.800 -0.018 0.000 2.572 257 G HA2 -0.032 3.928 3.960 0.000 0.000 0.216 257 G HA3 -0.032 3.928 3.960 0.000 0.000 0.216 257 G C 1.354 176.187 174.900 -0.113 0.000 1.133 257 G CA 0.559 45.625 45.100 -0.057 0.000 0.791 257 G HN 0.319 nan 8.290 nan 0.000 0.538 258 L N 0.100 121.236 121.223 -0.144 0.000 2.262 258 L HA 0.307 4.647 4.340 0.000 0.000 0.197 258 L C 2.753 179.618 176.870 -0.007 0.000 1.073 258 L CA 1.085 55.832 54.840 -0.156 0.000 0.800 258 L CB -0.427 41.400 42.059 -0.386 0.000 0.987 258 L HN -0.006 nan 8.230 nan 0.000 0.470 259 V N 0.248 120.177 119.914 0.025 0.000 2.221 259 V HA -0.267 3.853 4.120 0.000 0.000 0.242 259 V C 2.540 178.702 176.094 0.114 0.000 1.041 259 V CA 1.825 64.225 62.300 0.167 0.000 0.995 259 V CB -0.682 31.254 31.823 0.188 0.000 0.635 259 V HN 0.321 nan 8.190 nan 0.000 0.448 260 I N 0.276 120.883 120.570 0.061 0.000 2.121 260 I HA -0.233 3.937 4.170 0.000 0.000 0.243 260 I C 0.293 176.403 176.117 -0.010 0.000 1.047 260 I CA 2.497 63.818 61.300 0.036 0.000 1.308 260 I CB -2.754 35.260 38.000 0.023 0.000 1.015 260 I HN 0.335 nan 8.210 nan 0.000 0.410 261 P HA -0.169 nan 4.420 nan 0.000 0.214 261 P C 1.776 178.985 177.300 -0.151 0.000 1.169 261 P CA 1.709 64.709 63.100 -0.166 0.000 0.908 261 P CB -0.234 31.281 31.700 -0.308 0.000 0.791 262 H N -0.932 118.152 119.070 0.024 0.000 2.321 262 H HA -0.053 4.503 4.556 0.000 0.000 0.300 262 H C 2.211 177.539 175.328 -0.001 0.000 1.087 262 H CA 1.120 57.178 56.048 0.017 0.000 1.319 262 H CB -1.193 28.604 29.762 0.059 0.000 1.379 262 H HN 0.128 nan 8.280 nan 0.000 0.501 263 I N 0.731 121.390 120.570 0.149 0.000 2.185 263 I HA -0.306 3.864 4.170 0.000 0.000 0.246 263 I C 2.448 178.551 176.117 -0.022 0.000 1.088 263 I CA 1.162 62.518 61.300 0.093 0.000 1.347 263 I CB -0.314 37.753 38.000 0.111 0.000 1.041 263 I HN 0.139 nan 8.210 nan 0.000 0.415 264 L N -0.096 121.094 121.223 -0.056 0.000 2.141 264 L HA -0.164 4.176 4.340 0.000 0.000 0.209 264 L C 2.737 179.496 176.870 -0.184 0.000 1.094 264 L CA 1.065 55.811 54.840 -0.157 0.000 0.763 264 L CB -0.530 41.464 42.059 -0.109 0.000 0.908 264 L HN 0.217 nan 8.230 nan 0.000 0.437 265 R N -0.510 119.932 120.500 -0.096 0.000 2.092 265 R HA -0.113 4.227 4.340 0.000 0.000 0.231 265 R C 2.175 178.408 176.300 -0.113 0.000 1.119 265 R CA 0.823 56.867 56.100 -0.092 0.000 0.970 265 R CB -0.291 30.003 30.300 -0.010 0.000 0.864 265 R HN 0.242 nan 8.270 nan 0.000 0.440 266 L N 0.701 121.871 121.223 -0.089 0.000 2.012 266 L HA -0.211 4.129 4.340 0.000 0.000 0.210 266 L C 2.253 179.028 176.870 -0.159 0.000 1.073 266 L CA 1.625 56.410 54.840 -0.090 0.000 0.748 266 L CB -1.013 41.028 42.059 -0.030 0.000 0.891 266 L HN 0.293 nan 8.230 nan 0.000 0.431 267 C N -0.478 118.638 119.300 -0.306 0.000 2.430 267 C HA 0.123 4.583 4.460 0.000 0.000 0.288 267 C C 1.961 176.665 174.990 -0.477 0.000 1.448 267 C CA 0.743 59.412 59.018 -0.582 0.000 1.784 267 C CB -1.146 25.780 27.740 -1.356 0.000 1.776 267 C HN 0.848 nan 8.230 nan 0.000 0.547 268 G N -0.645 107.971 108.800 -0.307 0.000 2.284 268 G HA2 -0.165 3.795 3.960 0.000 0.000 0.201 268 G HA3 -0.165 3.795 3.960 0.000 0.000 0.201 268 G C 0.058 174.844 174.900 -0.190 0.000 0.998 268 G CA -0.468 44.512 45.100 -0.201 0.000 0.651 268 G HN 0.441 nan 8.290 nan 0.000 0.489 269 L N 2.306 123.377 121.223 -0.253 0.000 2.485 269 L HA 0.423 4.763 4.340 0.000 0.000 0.279 269 L C 1.306 178.078 176.870 -0.162 0.000 1.124 269 L CA 0.600 55.331 54.840 -0.182 0.000 0.888 269 L CB 0.717 42.665 42.059 -0.184 0.000 1.217 269 L HN 0.181 nan 8.230 nan 0.000 0.464 270 T N -0.912 113.548 114.554 -0.156 0.000 3.115 270 T HA -0.013 4.337 4.350 0.000 0.000 0.256 270 T C 0.434 174.970 174.700 -0.274 0.000 0.970 270 T CA -0.202 61.782 62.100 -0.194 0.000 1.010 270 T CB 0.301 69.083 68.868 -0.143 0.000 1.151 270 T HN 0.566 nan 8.240 nan 0.000 0.479 271 D N 1.725 122.015 120.400 -0.182 0.000 2.412 271 D HA -0.051 4.589 4.640 0.000 0.000 0.257 271 D C 0.941 177.148 176.300 -0.155 0.000 1.217 271 D CA 0.225 54.130 54.000 -0.158 0.000 0.897 271 D CB 0.423 41.178 40.800 -0.076 0.000 1.132 271 D HN 0.334 nan 8.370 nan 0.000 0.493 272 H N 3.844 122.878 119.070 -0.060 0.000 2.431 272 H HA -0.177 4.379 4.556 0.000 0.000 0.297 272 H C 1.766 177.054 175.328 -0.068 0.000 1.115 272 H CA 1.117 57.124 56.048 -0.069 0.000 1.277 272 H CB 0.100 29.809 29.762 -0.088 0.000 1.372 272 H HN 0.538 nan 8.280 nan 0.000 0.516 273 R N 0.761 121.285 120.500 0.040 0.000 2.316 273 R HA -0.090 4.250 4.340 0.000 0.000 0.232 273 R C 1.443 177.744 176.300 0.002 0.000 1.137 273 R CA 0.813 56.915 56.100 0.004 0.000 1.012 273 R CB 0.244 30.540 30.300 -0.008 0.000 0.859 273 R HN 0.106 nan 8.270 nan 0.000 0.474 274 V N -0.888 119.024 119.914 -0.003 0.000 3.137 274 V HA -0.075 4.045 4.120 0.000 0.000 0.236 274 V C 1.541 177.632 176.094 -0.006 0.000 1.260 274 V CA 0.240 62.538 62.300 -0.003 0.000 1.244 274 V CB 0.118 31.933 31.823 -0.013 0.000 1.016 274 V HN 0.192 nan 8.190 nan 0.000 0.477 275 L N 0.524 121.732 121.223 -0.025 0.000 2.081 275 L HA -0.148 4.192 4.340 0.000 0.000 0.212 275 L C 2.098 178.983 176.870 0.024 0.000 1.080 275 L CA 2.094 56.921 54.840 -0.022 0.000 0.754 275 L CB -0.639 41.380 42.059 -0.067 0.000 0.893 275 L HN 0.232 nan 8.230 nan 0.000 0.433 276 L N -0.640 120.615 121.223 0.053 0.000 1.976 276 L HA -0.137 4.203 4.340 0.000 0.000 0.209 276 L C 0.093 176.969 176.870 0.011 0.000 1.071 276 L CA 1.412 56.269 54.840 0.028 0.000 0.746 276 L CB -2.245 39.815 42.059 0.002 0.000 0.890 276 L HN 0.209 nan 8.230 nan 0.000 0.432 277 P HA -0.160 nan 4.420 nan 0.000 0.215 277 P C 1.595 178.909 177.300 0.024 0.000 1.157 277 P CA 1.861 64.969 63.100 0.014 0.000 0.874 277 P CB -0.259 31.451 31.700 0.017 0.000 0.790 278 G N -0.825 107.991 108.800 0.026 0.000 2.476 278 G HA2 -0.334 3.626 3.960 0.000 0.000 0.218 278 G HA3 -0.334 3.626 3.960 0.000 0.000 0.218 278 G C 1.727 176.643 174.900 0.026 0.000 1.164 278 G CA 1.082 46.203 45.100 0.034 0.000 0.768 278 G HN 0.246 nan 8.290 nan 0.000 0.560 279 C N 0.766 120.073 119.300 0.012 0.000 2.398 279 C HA 0.048 4.508 4.460 0.000 0.000 0.276 279 C C 3.550 178.548 174.990 0.014 0.000 1.222 279 C CA 1.173 60.195 59.018 0.007 0.000 1.746 279 C CB -1.054 26.685 27.740 -0.001 0.000 2.039 279 C HN 0.605 nan 8.230 nan 0.000 0.470 280 A N 0.333 123.161 122.820 0.013 0.000 1.859 280 A HA -0.179 4.142 4.320 0.000 0.000 0.217 280 A C 2.078 179.675 177.584 0.022 0.000 1.198 280 A CA 1.983 54.028 52.037 0.014 0.000 0.629 280 A CB -0.798 18.208 19.000 0.010 0.000 0.830 280 A HN 0.617 nan 8.150 nan 0.000 0.446 281 L N -0.884 120.357 121.223 0.030 0.000 1.970 281 L HA -0.235 4.105 4.340 0.000 0.000 0.212 281 L C 3.118 180.013 176.870 0.043 0.000 1.071 281 L CA 1.419 56.282 54.840 0.039 0.000 0.751 281 L CB -0.769 41.322 42.059 0.052 0.000 0.889 281 L HN 0.447 nan 8.230 nan 0.000 0.432 282 A N 0.277 123.127 122.820 0.050 0.000 1.972 282 A HA -0.116 4.205 4.320 0.000 0.000 0.219 282 A C 2.383 179.991 177.584 0.041 0.000 1.169 282 A CA 1.737 53.807 52.037 0.054 0.000 0.635 282 A CB -1.205 17.829 19.000 0.056 0.000 0.810 282 A HN 0.487 nan 8.150 nan 0.000 0.446 283 G N -0.760 108.059 108.800 0.031 0.000 2.421 283 G HA2 0.100 4.060 3.960 0.000 0.000 0.217 283 G HA3 0.100 4.060 3.960 0.000 0.000 0.217 283 G C 1.662 176.575 174.900 0.022 0.000 1.143 283 G CA 1.303 46.420 45.100 0.028 0.000 0.784 283 G HN 0.723 nan 8.290 nan 0.000 0.541 284 A N 1.644 124.474 122.820 0.017 0.000 1.825 284 A HA -0.006 4.314 4.320 0.000 0.000 0.214 284 A C 2.788 180.369 177.584 -0.005 0.000 1.206 284 A CA 2.713 54.752 52.037 0.003 0.000 0.609 284 A CB -1.117 17.887 19.000 0.007 0.000 0.851 284 A HN 0.710 nan 8.150 nan 0.000 0.445 285 S N 0.860 116.566 115.700 0.010 0.000 2.369 285 S HA -0.232 4.239 4.470 0.000 0.000 0.225 285 S C 2.165 176.770 174.600 0.008 0.000 1.043 285 S CA 2.214 60.422 58.200 0.012 0.000 1.074 285 S CB -1.281 61.938 63.200 0.031 0.000 0.962 285 S HN 1.219 nan 8.310 nan 0.000 0.433 286 A N 1.973 124.807 122.820 0.022 0.000 1.896 286 A HA -0.128 4.192 4.320 0.000 0.000 0.220 286 A C 2.319 179.909 177.584 0.010 0.000 1.206 286 A CA 2.082 54.136 52.037 0.027 0.000 0.647 286 A CB -1.115 17.911 19.000 0.043 0.000 0.828 286 A HN 0.534 nan 8.150 nan 0.000 0.455 287 L N -0.671 120.550 121.223 -0.004 0.000 2.156 287 L HA -0.001 4.339 4.340 0.000 0.000 0.208 287 L C 2.304 179.114 176.870 -0.101 0.000 1.095 287 L CA 1.182 56.001 54.840 -0.035 0.000 0.770 287 L CB -0.398 41.642 42.059 -0.031 0.000 0.914 287 L HN 0.443 nan 8.230 nan 0.000 0.439 288 L N -1.661 119.505 121.223 -0.095 0.000 1.970 288 L HA -0.272 4.068 4.340 0.000 0.000 0.212 288 L C 2.443 179.268 176.870 -0.074 0.000 1.071 288 L CA 1.176 55.948 54.840 -0.113 0.000 0.751 288 L CB -0.576 41.442 42.059 -0.068 0.000 0.889 288 L HN 0.242 nan 8.230 nan 0.000 0.432 289 L N -0.282 120.921 121.223 -0.033 0.000 1.978 289 L HA -0.313 4.027 4.340 0.000 0.000 0.218 289 L C 2.915 179.775 176.870 -0.016 0.000 1.075 289 L CA 2.334 57.166 54.840 -0.013 0.000 0.767 289 L CB -1.697 40.364 42.059 0.003 0.000 0.890 289 L HN 0.342 nan 8.230 nan 0.000 0.434 290 A N -0.061 122.750 122.820 -0.015 0.000 1.884 290 A HA -0.342 3.978 4.320 0.000 0.000 0.219 290 A C 2.098 179.673 177.584 -0.015 0.000 1.197 290 A CA 2.444 54.477 52.037 -0.006 0.000 0.637 290 A CB -0.934 18.070 19.000 0.007 0.000 0.827 290 A HN 0.525 nan 8.150 nan 0.000 0.450 291 D N -0.461 119.903 120.400 -0.059 0.000 2.092 291 D HA -0.148 4.492 4.640 0.000 0.000 0.193 291 D C 1.778 178.056 176.300 -0.036 0.000 0.994 291 D CA 1.671 55.625 54.000 -0.077 0.000 0.828 291 D CB -0.255 40.407 40.800 -0.231 0.000 0.963 291 D HN 0.483 nan 8.370 nan 0.000 0.450 292 I N -0.142 120.405 120.570 -0.038 0.000 2.113 292 I HA -0.315 3.855 4.170 0.000 0.000 0.242 292 I C 2.460 178.584 176.117 0.011 0.000 1.064 292 I CA 0.932 62.228 61.300 -0.006 0.000 1.320 292 I CB -0.394 37.609 38.000 0.005 0.000 1.028 292 I HN 0.043 nan 8.210 nan 0.000 0.406 293 V N 1.030 120.949 119.914 0.008 0.000 2.332 293 V HA -0.331 3.789 4.120 0.000 0.000 0.248 293 V C 2.715 178.821 176.094 0.019 0.000 1.055 293 V CA 1.972 64.279 62.300 0.013 0.000 1.038 293 V CB -1.054 30.773 31.823 0.008 0.000 0.651 293 V HN 0.546 nan 8.190 nan 0.000 0.450 294 A N 1.024 123.858 122.820 0.022 0.000 1.948 294 A HA -0.271 4.049 4.320 0.000 0.000 0.220 294 A C 2.382 179.997 177.584 0.051 0.000 1.177 294 A CA 2.352 54.413 52.037 0.040 0.000 0.636 294 A CB -0.451 18.584 19.000 0.058 0.000 0.815 294 A HN 0.728 nan 8.150 nan 0.000 0.449 295 R N -0.886 119.640 120.500 0.044 0.000 2.105 295 R HA 0.236 4.576 4.340 0.000 0.000 0.214 295 R C 1.795 178.123 176.300 0.046 0.000 1.091 295 R CA 0.970 57.100 56.100 0.050 0.000 1.007 295 R CB -0.611 29.717 30.300 0.046 0.000 0.912 295 R HN 0.409 nan 8.270 nan 0.000 0.450 296 L N 1.478 122.725 121.223 0.040 0.000 2.217 296 L HA 0.082 4.422 4.340 0.000 0.000 0.211 296 L C 2.839 179.727 176.870 0.030 0.000 1.107 296 L CA 0.755 55.619 54.840 0.039 0.000 0.783 296 L CB -0.647 41.436 42.059 0.039 0.000 0.919 296 L HN 0.300 nan 8.230 nan 0.000 0.442 297 A N 0.925 123.761 122.820 0.025 0.000 1.863 297 A HA -0.166 4.154 4.320 0.000 0.000 0.218 297 A C 1.198 178.793 177.584 0.018 0.000 1.233 297 A CA 1.412 53.460 52.037 0.018 0.000 0.655 297 A CB -0.698 18.311 19.000 0.016 0.000 0.839 297 A HN 0.305 nan 8.150 nan 0.000 0.454 298 L N -3.076 118.160 121.223 0.023 0.000 2.342 298 L HA 0.572 4.912 4.340 0.000 0.000 0.271 298 L C 1.233 178.121 176.870 0.030 0.000 1.008 298 L CA -0.210 54.643 54.840 0.022 0.000 0.818 298 L CB 1.967 44.037 42.059 0.018 0.000 1.296 298 L HN 0.294 nan 8.230 nan 0.000 0.427 299 A N 1.689 124.526 122.820 0.027 0.000 2.021 299 A HA 0.085 4.405 4.320 0.000 0.000 0.216 299 A C 2.185 179.788 177.584 0.032 0.000 1.163 299 A CA 1.266 53.322 52.037 0.032 0.000 0.676 299 A CB -0.276 18.742 19.000 0.029 0.000 0.818 299 A HN 0.886 nan 8.150 nan 0.000 0.453 300 A N -0.211 122.626 122.820 0.028 0.000 1.865 300 A HA 0.344 4.664 4.320 0.000 0.000 0.217 300 A C 1.388 178.995 177.584 0.038 0.000 1.191 300 A CA 2.033 54.087 52.037 0.028 0.000 0.623 300 A CB -0.621 18.392 19.000 0.021 0.000 0.826 300 A HN 1.479 nan 8.150 nan 0.000 0.444 301 A N -1.942 120.907 122.820 0.049 0.000 2.533 301 A HA 0.627 4.947 4.320 0.000 0.000 0.293 301 A C -0.848 176.788 177.584 0.086 0.000 1.228 301 A CA -0.288 51.794 52.037 0.075 0.000 0.689 301 A CB 0.496 19.562 19.000 0.111 0.000 1.303 301 A HN 0.230 nan 8.150 nan 0.000 0.444 302 E N 0.897 121.173 120.200 0.127 0.000 2.081 302 E HA 0.483 4.833 4.350 0.000 0.000 0.281 302 E C -0.888 175.815 176.600 0.172 0.000 0.986 302 E CA -0.368 56.109 56.400 0.128 0.000 0.796 302 E CB 0.350 30.116 29.700 0.110 0.000 1.085 302 E HN 0.514 nan 8.360 nan 0.000 0.398 303 L N 6.172 127.454 121.223 0.099 0.000 2.559 303 L HA 0.053 4.393 4.340 0.000 0.000 0.282 303 L C -1.967 174.956 176.870 0.088 0.000 1.232 303 L CA -1.446 53.432 54.840 0.062 0.000 0.885 303 L CB -0.111 41.967 42.059 0.031 0.000 1.131 303 L HN 0.426 nan 8.230 nan 0.000 0.498 304 P HA -0.038 nan 4.420 nan 0.000 0.261 304 P C 1.052 178.399 177.300 0.077 0.000 1.203 304 P CA -0.123 63.017 63.100 0.067 0.000 0.767 304 P CB 0.458 32.128 31.700 -0.050 0.000 0.785 305 I N 3.789 124.442 120.570 0.139 0.000 2.147 305 I HA -0.285 3.885 4.170 0.000 0.000 0.245 305 I C 2.211 178.377 176.117 0.081 0.000 1.059 305 I CA 2.407 63.788 61.300 0.136 0.000 1.320 305 I CB -1.520 36.631 38.000 0.250 0.000 1.021 305 I HN 0.489 nan 8.210 nan 0.000 0.415 306 G N 0.108 108.951 108.800 0.072 0.000 2.529 306 G HA2 -0.270 3.690 3.960 0.000 0.000 0.219 306 G HA3 -0.270 3.690 3.960 0.000 0.000 0.219 306 G C 1.823 176.701 174.900 -0.036 0.000 1.177 306 G CA 1.375 46.490 45.100 0.024 0.000 0.773 306 G HN 0.327 nan 8.290 nan 0.000 0.573 307 V N 0.522 120.413 119.914 -0.039 0.000 2.250 307 V HA -0.259 3.861 4.120 0.000 0.000 0.250 307 V C 3.080 179.134 176.094 -0.066 0.000 1.060 307 V CA 1.954 64.215 62.300 -0.066 0.000 1.030 307 V CB -0.701 31.089 31.823 -0.054 0.000 0.643 307 V HN 0.290 nan 8.190 nan 0.000 0.445 308 V N 0.637 120.533 119.914 -0.030 0.000 2.223 308 V HA -0.295 3.825 4.120 0.000 0.000 0.244 308 V C 2.811 178.885 176.094 -0.033 0.000 1.045 308 V CA 2.731 65.018 62.300 -0.021 0.000 1.000 308 V CB -1.615 30.211 31.823 0.005 0.000 0.635 308 V HN 0.832 nan 8.190 nan 0.000 0.445 309 T N -0.130 114.416 114.554 -0.013 0.000 2.685 309 T HA -0.279 4.071 4.350 0.000 0.000 0.268 309 T C 1.818 176.462 174.700 -0.092 0.000 1.034 309 T CA 2.114 64.216 62.100 0.003 0.000 1.149 309 T CB -0.640 68.261 68.868 0.055 0.000 0.860 309 T HN 0.539 nan 8.240 nan 0.000 0.449 310 A N 0.945 123.611 122.820 -0.256 0.000 2.016 310 A HA 0.109 4.429 4.320 0.000 0.000 0.217 310 A C 2.604 179.942 177.584 -0.411 0.000 1.162 310 A CA 1.630 53.272 52.037 -0.658 0.000 0.662 310 A CB -1.101 17.513 19.000 -0.643 0.000 0.812 310 A HN 0.556 nan 8.150 nan 0.000 0.450 311 T N 0.543 114.978 114.554 -0.197 0.000 2.777 311 T HA -0.041 4.309 4.350 0.000 0.000 0.266 311 T C 1.694 176.365 174.700 -0.050 0.000 1.040 311 T CA 1.513 63.549 62.100 -0.107 0.000 1.141 311 T CB -0.286 68.543 68.868 -0.065 0.000 0.868 311 T HN 0.394 nan 8.240 nan 0.000 0.444 312 L N 0.230 121.439 121.223 -0.024 0.000 2.307 312 L HA 0.228 4.568 4.340 0.000 0.000 0.211 312 L C 2.932 179.861 176.870 0.098 0.000 1.099 312 L CA 0.669 55.528 54.840 0.031 0.000 0.816 312 L CB -0.869 41.210 42.059 0.034 0.000 0.952 312 L HN 0.292 nan 8.230 nan 0.000 0.455 313 G N 0.493 109.357 108.800 0.106 0.000 2.453 313 G HA2 -0.250 3.710 3.960 0.000 0.000 0.215 313 G HA3 -0.250 3.710 3.960 0.000 0.000 0.215 313 G C 1.817 177.017 174.900 0.500 0.000 1.201 313 G CA 0.918 46.238 45.100 0.367 0.000 0.784 313 G HN 0.397 nan 8.290 nan 0.000 0.545 314 A N 1.870 124.895 122.820 0.341 0.000 1.884 314 A HA -0.033 4.287 4.320 0.000 0.000 0.219 314 A C 0.835 178.630 177.584 0.352 0.000 1.197 314 A CA 2.399 54.700 52.037 0.440 0.000 0.637 314 A CB -1.442 17.678 19.000 0.201 0.000 0.827 314 A HN 0.394 nan 8.150 nan 0.000 0.450 315 P HA -0.170 nan 4.420 nan 0.000 0.213 315 P C 1.806 179.242 177.300 0.226 0.000 1.170 315 P CA 2.423 65.629 63.100 0.176 0.000 0.902 315 P CB -0.431 31.329 31.700 0.100 0.000 0.789 316 V N -3.701 116.351 119.914 0.230 0.000 2.828 316 V HA -0.226 3.894 4.120 0.000 0.000 0.260 316 V C 2.012 178.323 176.094 0.361 0.000 1.101 316 V CA 1.650 64.110 62.300 0.266 0.000 1.123 316 V CB -1.825 30.133 31.823 0.225 0.000 0.704 316 V HN -0.047 nan 8.190 nan 0.000 0.493 317 F N 0.451 120.526 119.950 0.208 0.000 2.219 317 F HA 0.148 4.675 4.527 0.000 0.000 0.294 317 F C 2.138 178.016 175.800 0.130 0.000 1.086 317 F CA 1.046 59.139 58.000 0.155 0.000 1.330 317 F CB -0.074 39.005 39.000 0.132 0.000 1.047 317 F HN 0.029 nan 8.300 nan 0.000 0.495 318 I N -0.663 119.963 120.570 0.092 0.000 2.127 318 I HA -0.340 3.831 4.170 0.000 0.000 0.241 318 I C 2.269 178.367 176.117 -0.032 0.000 1.075 318 I CA 1.637 62.925 61.300 -0.020 0.000 1.334 318 I CB -1.685 36.378 38.000 0.105 0.000 1.040 318 I HN 0.407 nan 8.210 nan 0.000 0.405 319 W N 1.961 123.217 121.300 -0.073 0.000 2.317 319 W HA -0.236 4.424 4.660 0.000 0.000 0.318 319 W C 2.579 179.031 176.519 -0.112 0.000 1.227 319 W CA 1.737 59.043 57.345 -0.065 0.000 1.269 319 W CB -0.708 28.743 29.460 -0.015 0.000 1.155 319 W HN 0.024 nan 8.180 nan 0.000 0.484 320 L N 0.095 121.300 121.223 -0.030 0.000 2.129 320 L HA -0.300 4.040 4.340 0.000 0.000 0.212 320 L C 2.446 179.070 176.870 -0.410 0.000 1.087 320 L CA 1.298 55.996 54.840 -0.237 0.000 0.757 320 L CB -1.046 40.973 42.059 -0.068 0.000 0.896 320 L HN 0.140 nan 8.230 nan 0.000 0.434 321 L N -0.677 120.271 121.223 -0.459 0.000 2.027 321 L HA -0.215 4.125 4.340 0.000 0.000 0.206 321 L C 2.494 179.162 176.870 -0.336 0.000 1.074 321 L CA 1.211 55.790 54.840 -0.435 0.000 0.745 321 L CB -0.409 41.383 42.059 -0.445 0.000 0.898 321 L HN 0.278 nan 8.230 nan 0.000 0.433 322 L N -0.339 120.683 121.223 -0.336 0.000 2.093 322 L HA -0.182 4.158 4.340 0.000 0.000 0.208 322 L C 2.642 179.288 176.870 -0.373 0.000 1.085 322 L CA 0.838 55.497 54.840 -0.301 0.000 0.755 322 L CB -0.452 41.453 42.059 -0.257 0.000 0.904 322 L HN 0.183 nan 8.230 nan 0.000 0.435 323 K N 1.287 121.341 120.400 -0.577 0.000 2.001 323 K HA -0.006 4.314 4.320 0.000 0.000 0.208 323 K C 1.162 177.544 176.600 -0.364 0.000 1.048 323 K CA 1.146 57.079 56.287 -0.589 0.000 0.932 323 K CB -0.441 31.471 32.500 -0.979 0.000 0.715 323 K HN 0.194 nan 8.250 nan 0.000 0.437 324 A N 0.000 122.620 122.820 -0.333 0.000 2.254 324 A HA 0.000 4.320 4.320 0.000 0.000 0.244 324 A CA 0.000 51.896 52.037 -0.235 0.000 0.836 324 A CB 0.000 18.858 19.000 -0.238 0.000 0.831 324 A HN 0.000 nan 8.150 nan 0.000 0.486