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 1mve_1_A DATA FIRST_RESID 2 DATA SEQUENCE VSAKDFSGAE LYTLEEVQYG KFEARXKXAA ASGTVSSXFL YQNGSEIADG DATA SEQUENCE RPWVEVDIEV LGKNPGSFQS NIITGKAGAQ KTSEKHHAVS PAADQAFHTY DATA SEQUENCE GLEWTPNYVR WTVDGQEVRK TEGGQVSNLT GTQGLRFNLW SSESAAWVGQ DATA SEQUENCE FDESKLPLFQ FINWVKVYKY TPGQGEGGSD FTLDWTDNFD TFDGSRWGKG DATA SEQUENCE DWTFDGNRVD LTDKNIYSRD GXLILALTRK GQESFNGQVP RD 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 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.101 176.094 0.011 0.000 1.182 2 V CA 0.000 62.308 62.300 0.013 0.000 1.235 2 V CB 0.000 31.827 31.823 0.007 0.000 1.184 3 S N 2.621 118.322 115.700 0.002 0.000 2.751 3 S HA 0.892 5.370 4.470 0.013 0.000 0.310 3 S C 0.909 175.502 174.600 -0.012 0.000 1.128 3 S CA -0.036 58.164 58.200 0.000 0.000 0.931 3 S CB 2.196 65.397 63.200 0.002 0.000 1.177 3 S HN 1.876 nan 8.310 nan 0.000 0.530 4 A N -0.027 122.786 122.820 -0.012 0.000 2.235 4 A HA 0.232 4.560 4.320 0.013 0.000 0.208 4 A C 0.712 178.272 177.584 -0.039 0.000 1.172 4 A CA 0.062 52.085 52.037 -0.024 0.000 0.786 4 A CB -0.793 18.197 19.000 -0.017 0.000 0.804 4 A HN 0.732 nan 8.150 nan 0.000 0.479 5 K N 1.287 121.670 120.400 -0.028 0.000 2.524 5 K HA -0.011 4.317 4.320 0.013 0.000 0.279 5 K C -0.350 176.192 176.600 -0.095 0.000 0.993 5 K CA 0.188 56.459 56.287 -0.026 0.000 1.030 5 K CB 0.426 32.929 32.500 0.005 0.000 0.891 5 K HN 0.230 nan 8.250 nan 0.000 0.488 6 D N 2.008 122.278 120.400 -0.217 0.000 2.371 6 D HA -0.022 4.626 4.640 0.013 0.000 0.221 6 D C -0.071 175.786 176.300 -0.739 0.000 0.986 6 D CA 1.080 54.755 54.000 -0.542 0.000 0.899 6 D CB 0.039 40.331 40.800 -0.848 0.000 0.902 6 D HN 0.265 nan 8.370 nan 0.000 0.530 7 F N -0.170 119.784 119.950 0.008 0.000 2.593 7 F HA 0.344 4.879 4.527 0.013 0.000 0.320 7 F C 0.377 176.161 175.800 -0.027 0.000 1.060 7 F CA -1.197 56.807 58.000 0.005 0.000 0.940 7 F CB 1.691 40.703 39.000 0.021 0.000 1.268 7 F HN -0.374 nan 8.300 nan 0.000 0.475 8 S N -0.091 115.712 115.700 0.171 0.000 2.542 8 S HA 0.956 5.434 4.470 0.013 0.000 0.293 8 S C -0.545 174.072 174.600 0.029 0.000 1.089 8 S CA -0.585 57.649 58.200 0.057 0.000 0.961 8 S CB 1.830 65.047 63.200 0.027 0.000 1.062 8 S HN 1.043 nan 8.310 nan 0.000 0.483 9 G N 0.260 109.047 108.800 -0.022 0.000 3.222 9 G HA2 0.878 4.846 3.960 0.013 0.000 0.263 9 G HA3 0.878 4.846 3.960 0.013 0.000 0.263 9 G C -1.220 173.632 174.900 -0.080 0.000 1.312 9 G CA -0.664 44.415 45.100 -0.035 0.000 0.934 9 G HN 1.397 nan 8.290 nan 0.000 0.577 10 A N -0.742 122.037 122.820 -0.067 0.000 2.515 10 A HA 0.811 5.139 4.320 0.013 0.000 0.298 10 A C -1.190 176.367 177.584 -0.045 0.000 1.059 10 A CA -0.458 51.517 52.037 -0.104 0.000 0.698 10 A CB 2.037 20.950 19.000 -0.146 0.000 1.289 10 A HN 0.706 nan 8.150 nan 0.000 0.404 11 E N 1.283 121.440 120.200 -0.071 0.000 2.281 11 E HA 0.507 4.865 4.350 0.013 0.000 0.266 11 E C -2.003 174.678 176.600 0.135 0.000 0.893 11 E CA -0.540 55.898 56.400 0.062 0.000 0.798 11 E CB 1.469 31.186 29.700 0.028 0.000 1.245 11 E HN 0.652 nan 8.360 nan 0.000 0.410 12 L N 5.973 127.311 121.223 0.193 0.000 2.295 12 L HA 0.564 4.912 4.340 0.013 0.000 0.285 12 L C -1.610 175.534 176.870 0.457 0.000 1.035 12 L CA -0.384 54.579 54.840 0.205 0.000 0.806 12 L CB 0.630 42.688 42.059 -0.002 0.000 1.214 12 L HN 0.523 nan 8.230 nan 0.000 0.426 13 Y N 0.790 121.384 120.300 0.489 0.000 2.504 13 Y HA 0.698 5.256 4.550 0.013 0.000 0.344 13 Y C -0.260 175.987 175.900 0.579 0.000 1.023 13 Y CA -1.038 57.346 58.100 0.474 0.000 1.020 13 Y CB 0.433 39.073 38.460 0.299 0.000 1.282 13 Y HN 0.699 nan 8.280 nan 0.000 0.454 14 T N 0.915 115.775 114.554 0.510 0.000 2.919 14 T HA 0.245 4.603 4.350 0.013 0.000 0.302 14 T C 0.907 175.735 174.700 0.213 0.000 1.031 14 T CA -0.609 61.543 62.100 0.086 0.000 1.127 14 T CB 0.864 69.725 68.868 -0.012 0.000 0.952 14 T HN 0.865 nan 8.240 nan 0.000 0.540 15 L N 0.463 121.712 121.223 0.043 0.000 2.141 15 L HA 0.094 4.442 4.340 0.013 0.000 0.209 15 L C 1.425 178.353 176.870 0.097 0.000 1.094 15 L CA 1.166 56.081 54.840 0.125 0.000 0.763 15 L CB -0.300 41.768 42.059 0.016 0.000 0.908 15 L HN 0.751 nan 8.230 nan 0.000 0.437 16 E N -0.210 120.011 120.200 0.034 0.000 2.212 16 E HA 0.382 4.739 4.350 0.013 0.000 0.270 16 E C -0.662 175.996 176.600 0.097 0.000 0.956 16 E CA -0.494 55.935 56.400 0.049 0.000 0.825 16 E CB 1.689 31.397 29.700 0.012 0.000 1.167 16 E HN 0.129 nan 8.360 nan 0.000 0.400 17 E N 0.543 120.798 120.200 0.092 0.000 2.249 17 E HA 0.560 4.918 4.350 0.013 0.000 0.263 17 E C -0.825 175.856 176.600 0.135 0.000 0.950 17 E CA -0.931 55.538 56.400 0.114 0.000 0.827 17 E CB 2.305 32.047 29.700 0.070 0.000 1.220 17 E HN 0.289 nan 8.360 nan 0.000 0.411 18 V N -1.852 118.177 119.914 0.192 0.000 3.181 18 V HA 0.449 4.577 4.120 0.013 0.000 0.308 18 V C -1.208 174.956 176.094 0.117 0.000 1.214 18 V CA -1.031 61.368 62.300 0.166 0.000 1.053 18 V CB 1.915 33.885 31.823 0.246 0.000 1.069 18 V HN 0.688 nan 8.190 nan 0.000 0.441 19 Q N 1.286 121.009 119.800 -0.128 0.000 2.348 19 Q HA 0.616 4.964 4.340 0.013 0.000 0.265 19 Q C -1.580 173.937 176.000 -0.805 0.000 0.998 19 Q CA -0.487 54.914 55.803 -0.669 0.000 0.831 19 Q CB 0.864 29.183 28.738 -0.698 0.000 1.251 19 Q HN 0.877 nan 8.270 nan 0.000 0.456 20 Y N 0.478 120.075 120.300 -1.171 0.000 2.505 20 Y HA -0.233 4.324 4.550 0.013 0.000 0.021 20 Y C 0.449 176.326 175.900 -0.039 0.000 1.700 20 Y CA 0.229 57.843 58.100 -0.812 0.000 1.420 20 Y CB -1.022 37.014 38.460 -0.707 0.000 2.065 20 Y HN 0.967 nan 8.280 nan 0.000 0.254 21 G N 0.743 109.708 108.800 0.276 0.000 2.369 21 G HA2 0.335 4.303 3.960 0.013 0.000 0.295 21 G HA3 0.335 4.303 3.960 0.013 0.000 0.295 21 G C -2.137 172.652 174.900 -0.185 0.000 1.298 21 G CA -0.540 44.634 45.100 0.124 0.000 0.940 21 G HN 0.678 nan 8.290 nan 0.000 0.536 22 K N -0.544 119.425 120.400 -0.719 0.000 2.316 22 K HA 0.785 5.113 4.320 0.013 0.000 0.251 22 K C -1.616 174.485 176.600 -0.832 0.000 0.934 22 K CA -0.844 54.920 56.287 -0.870 0.000 0.802 22 K CB 1.239 32.908 32.500 -1.385 0.000 1.171 22 K HN 0.340 nan 8.250 nan 0.000 0.426 23 F N 1.975 121.893 119.950 -0.053 0.000 2.562 23 F HA 0.361 4.896 4.527 0.012 0.000 0.319 23 F C -0.414 175.461 175.800 0.124 0.000 1.154 23 F CA -0.694 57.349 58.000 0.072 0.000 0.931 23 F CB 2.093 41.125 39.000 0.053 0.000 1.198 23 F HN 0.411 nan 8.300 nan 0.000 0.444 24 E N 1.830 122.254 120.200 0.373 0.000 2.238 24 E HA 0.866 5.224 4.350 0.013 0.000 0.267 24 E C -1.209 175.639 176.600 0.414 0.000 0.887 24 E CA -1.311 55.319 56.400 0.384 0.000 0.769 24 E CB 2.671 32.659 29.700 0.481 0.000 1.187 24 E HN 0.635 nan 8.360 nan 0.000 0.416 25 A N 2.459 125.449 122.820 0.284 0.000 2.408 25 A HA 0.606 4.934 4.320 0.013 0.000 0.295 25 A C -0.789 176.721 177.584 -0.122 0.000 1.040 25 A CA -0.701 51.429 52.037 0.156 0.000 0.707 25 A CB 1.395 20.640 19.000 0.408 0.000 1.235 25 A HN 0.536 nan 8.150 nan 0.000 0.418 31 A N 0.273 123.058 122.820 -0.058 0.000 2.491 31 A HA 1.026 5.354 4.320 0.013 0.000 0.293 31 A C -0.468 177.076 177.584 -0.067 0.000 1.047 31 A CA 0.329 52.322 52.037 -0.074 0.000 0.735 31 A CB 0.844 19.812 19.000 -0.053 0.000 1.281 31 A HN 2.696 nan 8.150 nan 0.000 0.398 32 A N 0.941 123.712 122.820 -0.083 0.000 2.594 32 A HA 0.833 5.161 4.320 0.013 0.000 0.295 32 A C 0.057 177.598 177.584 -0.072 0.000 1.071 32 A CA 0.053 52.048 52.037 -0.071 0.000 0.685 32 A CB 1.041 19.999 19.000 -0.069 0.000 1.285 32 A HN 1.959 nan 8.150 nan 0.000 0.405 33 S N -0.181 115.479 115.700 -0.066 0.000 2.563 33 S HA 0.400 4.878 4.470 0.013 0.000 0.294 33 S C 1.485 176.088 174.600 0.005 0.000 1.279 33 S CA 1.915 60.080 58.200 -0.058 0.000 1.069 33 S CB -0.043 63.125 63.200 -0.053 0.000 0.828 33 S HN 2.621 nan 8.310 nan 0.000 0.497 34 G N 2.870 111.638 108.800 -0.053 0.000 2.195 34 G HA2 -0.235 3.733 3.960 0.013 0.000 0.246 34 G HA3 -0.235 3.733 3.960 0.013 0.000 0.246 34 G C 0.237 174.990 174.900 -0.245 0.000 0.984 34 G CA 0.476 45.541 45.100 -0.057 0.000 0.633 34 G HN 1.409 nan 8.290 nan 0.000 0.525 35 T N -1.875 112.523 114.554 -0.261 0.000 2.944 35 T HA 0.762 5.120 4.350 0.013 0.000 0.284 35 T C -0.355 174.009 174.700 -0.560 0.000 1.010 35 T CA -0.375 61.492 62.100 -0.388 0.000 1.025 35 T CB 2.878 71.601 68.868 -0.242 0.000 1.079 35 T HN 0.896 nan 8.240 nan 0.000 0.516 36 V N 1.455 120.943 119.914 -0.710 0.000 2.577 36 V HA 0.698 4.826 4.120 0.013 0.000 0.303 36 V C -0.309 175.543 176.094 -0.402 0.000 1.042 36 V CA -0.778 61.078 62.300 -0.739 0.000 0.872 36 V CB 1.742 32.799 31.823 -1.277 0.000 0.998 36 V HN 1.091 nan 8.190 nan 0.000 0.423 37 S N 3.279 118.852 115.700 -0.212 0.000 2.707 37 S HA 0.817 5.295 4.470 0.013 0.000 0.303 37 S C -0.392 174.197 174.600 -0.018 0.000 1.132 37 S CA -0.060 58.090 58.200 -0.083 0.000 1.046 37 S CB 1.283 64.417 63.200 -0.110 0.000 1.004 37 S HN 1.145 nan 8.310 nan 0.000 0.483 41 L N 2.946 124.099 121.223 -0.116 0.000 2.334 41 L HA 0.572 4.920 4.340 0.013 0.000 0.277 41 L C -1.342 175.545 176.870 0.028 0.000 1.075 41 L CA -0.953 53.719 54.840 -0.280 0.000 0.804 41 L CB 1.606 43.362 42.059 -0.506 0.000 1.174 41 L HN 0.753 nan 8.230 nan 0.000 0.438 42 Y N 2.104 122.302 120.300 -0.169 0.000 2.401 42 Y HA 0.201 4.759 4.550 0.014 0.000 0.330 42 Y C -0.528 175.298 175.900 -0.122 0.000 1.071 42 Y CA -0.822 57.251 58.100 -0.044 0.000 1.049 42 Y CB 1.672 40.214 38.460 0.137 0.000 1.239 42 Y HN 0.539 nan 8.280 nan 0.000 0.437 43 Q N 6.124 125.517 119.800 -0.679 0.000 2.344 43 Q HA 0.181 4.529 4.340 0.013 0.000 0.253 43 Q C -0.324 175.206 176.000 -0.784 0.000 1.050 43 Q CA -0.191 55.283 55.803 -0.548 0.000 0.912 43 Q CB 0.359 28.830 28.738 -0.444 0.000 1.258 43 Q HN 0.791 nan 8.270 nan 0.000 0.443 44 N N 2.811 121.291 118.700 -0.366 0.000 2.356 44 N HA -0.046 4.702 4.740 0.013 0.000 0.252 44 N C 0.553 175.873 175.510 -0.315 0.000 1.241 44 N CA 1.297 54.212 53.050 -0.225 0.000 0.861 44 N CB 0.240 38.667 38.487 -0.101 0.000 1.075 44 N HN 0.983 nan 8.380 nan 0.000 0.461 45 G N 1.440 110.061 108.800 -0.299 0.000 2.213 45 G HA2 -0.282 3.686 3.960 0.013 0.000 0.236 45 G HA3 -0.282 3.686 3.960 0.013 0.000 0.236 45 G C 1.005 175.649 174.900 -0.427 0.000 0.991 45 G CA 0.337 45.255 45.100 -0.304 0.000 0.629 45 G HN 0.579 nan 8.290 nan 0.000 0.517 46 S N 1.177 116.454 115.700 -0.704 0.000 2.402 46 S HA -0.147 4.331 4.470 0.013 0.000 0.233 46 S C 2.116 176.108 174.600 -1.013 0.000 1.030 46 S CA 1.888 59.490 58.200 -0.997 0.000 1.003 46 S CB -0.215 61.905 63.200 -1.799 0.000 0.813 46 S HN 0.883 nan 8.310 nan 0.000 0.477 47 E N 1.202 120.934 120.200 -0.781 0.000 2.478 47 E HA -0.086 4.272 4.350 0.013 0.000 0.198 47 E C 0.151 176.626 176.600 -0.208 0.000 1.046 47 E CA 0.306 56.416 56.400 -0.483 0.000 0.870 47 E CB -0.358 29.164 29.700 -0.296 0.000 0.818 47 E HN 0.325 nan 8.360 nan 0.000 0.527 48 I N 2.581 123.020 120.570 -0.219 0.000 2.494 48 I HA 0.057 4.235 4.170 0.013 0.000 0.289 48 I C 0.593 176.670 176.117 -0.066 0.000 1.106 48 I CA -0.487 60.737 61.300 -0.126 0.000 1.369 48 I CB 0.093 38.014 38.000 -0.132 0.000 1.410 48 I HN 0.000 nan 8.210 nan 0.000 0.523 49 A N 6.280 129.085 122.820 -0.024 0.000 3.074 49 A HA 0.122 4.450 4.320 0.013 0.000 0.251 49 A C 0.795 178.376 177.584 -0.006 0.000 1.695 49 A CA -0.340 51.702 52.037 0.007 0.000 1.343 49 A CB -0.863 18.151 19.000 0.023 0.000 1.078 49 A HN 0.724 nan 8.150 nan 0.000 0.644 50 D N -0.956 119.433 120.400 -0.018 0.000 2.462 50 D HA 0.264 4.912 4.640 0.013 0.000 0.221 50 D C 0.957 177.249 176.300 -0.013 0.000 1.173 50 D CA 0.471 54.460 54.000 -0.019 0.000 0.831 50 D CB -0.166 40.615 40.800 -0.031 0.000 1.001 50 D HN 0.754 nan 8.370 nan 0.000 0.499 51 G N 1.160 109.958 108.800 -0.003 0.000 2.176 51 G HA2 -0.300 3.668 3.960 0.013 0.000 0.232 51 G HA3 -0.300 3.668 3.960 0.013 0.000 0.232 51 G C 0.337 175.237 174.900 0.000 0.000 0.986 51 G CA -0.059 45.042 45.100 0.003 0.000 0.643 51 G HN 0.548 nan 8.290 nan 0.000 0.522 52 R N 1.255 121.747 120.500 -0.014 0.000 2.694 52 R HA 0.430 4.778 4.340 0.013 0.000 0.268 52 R C -2.119 174.176 176.300 -0.009 0.000 1.061 52 R CA -0.899 55.183 56.100 -0.030 0.000 1.133 52 R CB 0.348 30.606 30.300 -0.071 0.000 1.020 52 R HN 0.129 nan 8.270 nan 0.000 0.475 53 P HA 0.030 nan 4.420 nan 0.000 0.274 53 P C -1.322 175.992 177.300 0.023 0.000 1.231 53 P CA -0.269 62.847 63.100 0.027 0.000 0.790 53 P CB 0.424 32.132 31.700 0.014 0.000 0.951 54 W N 3.919 125.165 121.300 -0.089 0.000 2.433 54 W HA 0.479 5.147 4.660 0.012 0.000 0.315 54 W C -1.782 174.657 176.519 -0.133 0.000 1.087 54 W CA -0.379 56.892 57.345 -0.122 0.000 1.205 54 W CB 1.205 30.613 29.460 -0.087 0.000 1.288 54 W HN 0.013 nan 8.180 nan 0.000 0.504 55 V N 5.699 125.610 119.914 -0.005 0.000 2.488 55 V HA 0.339 4.467 4.120 0.013 0.000 0.293 55 V C -0.679 175.372 176.094 -0.073 0.000 1.027 55 V CA -0.716 61.565 62.300 -0.032 0.000 0.862 55 V CB 1.603 33.333 31.823 -0.156 0.000 1.008 55 V HN 0.550 nan 8.190 nan 0.000 0.428 56 E N 3.600 123.848 120.200 0.080 0.000 2.363 56 E HA 0.704 5.062 4.350 0.013 0.000 0.281 56 E C -2.281 174.358 176.600 0.065 0.000 0.953 56 E CA -0.502 55.989 56.400 0.151 0.000 0.778 56 E CB 2.741 32.753 29.700 0.519 0.000 1.220 56 E HN 0.375 nan 8.360 nan 0.000 0.431 57 V N 3.636 123.567 119.914 0.027 0.000 2.531 57 V HA 0.444 4.572 4.120 0.013 0.000 0.301 57 V C -0.943 175.259 176.094 0.180 0.000 1.034 57 V CA -0.798 61.517 62.300 0.026 0.000 0.865 57 V CB 1.841 33.509 31.823 -0.258 0.000 0.995 57 V HN 0.648 nan 8.190 nan 0.000 0.424 58 D N 4.314 124.917 120.400 0.337 0.000 2.342 58 D HA 0.641 5.289 4.640 0.013 0.000 0.243 58 D C -0.738 175.874 176.300 0.520 0.000 1.019 58 D CA -0.277 53.944 54.000 0.368 0.000 0.864 58 D CB 3.189 44.147 40.800 0.263 0.000 1.315 58 D HN 0.320 nan 8.370 nan 0.000 0.468 59 I N 1.441 122.224 120.570 0.356 0.000 2.468 59 I HA 0.175 4.353 4.170 0.013 0.000 0.284 59 I C -0.611 175.610 176.117 0.172 0.000 1.038 59 I CA -0.361 61.098 61.300 0.265 0.000 1.083 59 I CB 1.538 39.501 38.000 -0.063 0.000 1.223 59 I HN 0.076 nan 8.210 nan 0.000 0.443 60 E N 5.416 125.771 120.200 0.258 0.000 2.241 60 E HA 0.397 4.755 4.350 0.013 0.000 0.263 60 E C -1.169 175.493 176.600 0.103 0.000 0.882 60 E CA -0.666 55.816 56.400 0.138 0.000 0.769 60 E CB 3.138 32.935 29.700 0.161 0.000 1.185 60 E HN 0.192 nan 8.360 nan 0.000 0.415 61 V N 5.105 125.017 119.914 -0.005 0.000 2.385 61 V HA 0.187 4.315 4.120 0.013 0.000 0.269 61 V C -0.036 175.954 176.094 -0.173 0.000 1.043 61 V CA -0.419 61.871 62.300 -0.016 0.000 0.906 61 V CB 0.310 32.112 31.823 -0.034 0.000 0.995 61 V HN 0.538 nan 8.190 nan 0.000 0.467 62 L N 4.719 125.812 121.223 -0.218 0.000 2.281 62 L HA 0.379 4.727 4.340 0.013 0.000 0.285 62 L C 1.808 178.519 176.870 -0.266 0.000 1.074 62 L CA -0.140 54.459 54.840 -0.401 0.000 0.817 62 L CB 0.723 42.492 42.059 -0.484 0.000 1.168 62 L HN 0.742 nan 8.230 nan 0.000 0.434 63 G N 3.449 112.082 108.800 -0.279 0.000 2.507 63 G HA2 -0.315 3.653 3.960 0.013 0.000 0.221 63 G HA3 -0.315 3.653 3.960 0.013 0.000 0.221 63 G C 1.490 176.309 174.900 -0.135 0.000 1.119 63 G CA 1.150 46.141 45.100 -0.182 0.000 0.751 63 G HN 0.871 nan 8.290 nan 0.000 0.574 64 K N -0.504 119.805 120.400 -0.151 0.000 2.283 64 K HA -0.006 4.322 4.320 0.013 0.000 0.202 64 K C 0.146 176.691 176.600 -0.091 0.000 1.048 64 K CA 0.990 57.210 56.287 -0.111 0.000 0.948 64 K CB 0.070 32.502 32.500 -0.114 0.000 0.742 64 K HN 0.164 nan 8.250 nan 0.000 0.458 65 N N 1.517 120.160 118.700 -0.096 0.000 2.762 65 N HA 0.136 4.884 4.740 0.013 0.000 0.252 65 N C -2.346 173.142 175.510 -0.037 0.000 1.269 65 N CA -1.352 51.658 53.050 -0.067 0.000 0.799 65 N CB 1.746 40.184 38.487 -0.081 0.000 1.173 65 N HN 0.071 nan 8.380 nan 0.000 0.516 66 P HA -0.021 nan 4.420 nan 0.000 0.230 66 P C 1.087 178.418 177.300 0.050 0.000 1.158 66 P CA 0.643 63.750 63.100 0.011 0.000 0.769 66 P CB 0.311 32.015 31.700 0.006 0.000 0.807 67 G N -0.249 108.573 108.800 0.036 0.000 3.124 67 G HA2 0.184 4.152 3.960 0.013 0.000 0.212 67 G HA3 0.184 4.152 3.960 0.013 0.000 0.212 67 G C 0.206 175.144 174.900 0.064 0.000 1.181 67 G CA 0.235 45.367 45.100 0.053 0.000 0.803 67 G HN 0.507 nan 8.290 nan 0.000 0.529 68 S N -0.965 114.785 115.700 0.084 0.000 2.615 68 S HA 0.713 5.191 4.470 0.013 0.000 0.268 68 S C -1.123 173.593 174.600 0.193 0.000 1.146 68 S CA -1.134 57.127 58.200 0.102 0.000 0.818 68 S CB 1.518 64.721 63.200 0.005 0.000 1.111 68 S HN 0.817 nan 8.310 nan 0.000 0.465 69 F N -0.351 119.664 119.950 0.108 0.000 2.613 69 F HA 0.784 5.319 4.527 0.013 0.000 0.314 69 F C -0.714 175.147 175.800 0.102 0.000 1.075 69 F CA -0.915 57.145 58.000 0.099 0.000 0.945 69 F CB 1.698 40.773 39.000 0.124 0.000 1.310 69 F HN 0.866 nan 8.300 nan 0.000 0.467 70 Q N 2.570 122.498 119.800 0.213 0.000 2.257 70 Q HA 0.568 4.916 4.340 0.013 0.000 0.255 70 Q C -0.933 175.184 176.000 0.196 0.000 0.920 70 Q CA -0.709 55.059 55.803 -0.058 0.000 0.927 70 Q CB 1.613 30.341 28.738 -0.018 0.000 1.229 70 Q HN 0.962 nan 8.270 nan 0.000 0.433 71 S N 3.418 119.100 115.700 -0.030 0.000 2.654 71 S HA 0.676 5.154 4.470 0.013 0.000 0.283 71 S C -0.487 174.112 174.600 -0.003 0.000 1.180 71 S CA -0.743 57.467 58.200 0.015 0.000 1.021 71 S CB 1.581 64.391 63.200 -0.649 0.000 1.018 71 S HN 0.743 nan 8.310 nan 0.000 0.532 72 N N -0.380 118.454 118.700 0.222 0.000 2.935 72 N HA 0.439 5.187 4.740 0.013 0.000 0.248 72 N C -2.090 173.618 175.510 0.329 0.000 1.276 72 N CA -0.499 52.654 53.050 0.172 0.000 0.906 72 N CB 1.425 39.980 38.487 0.113 0.000 1.564 72 N HN 0.788 nan 8.380 nan 0.000 0.500 73 I N 2.479 123.175 120.570 0.210 0.000 2.466 73 I HA 0.481 4.659 4.170 0.013 0.000 0.289 73 I C -0.420 175.734 176.117 0.062 0.000 1.026 73 I CA -0.608 60.803 61.300 0.186 0.000 1.078 73 I CB 1.732 39.855 38.000 0.205 0.000 1.249 73 I HN 0.379 nan 8.210 nan 0.000 0.429 74 I N 6.128 126.722 120.570 0.040 0.000 2.355 74 I HA 0.374 4.552 4.170 0.013 0.000 0.288 74 I C 0.335 176.454 176.117 0.003 0.000 0.999 74 I CA -0.137 61.112 61.300 -0.085 0.000 1.163 74 I CB 1.651 39.501 38.000 -0.250 0.000 1.316 74 I HN 0.632 nan 8.210 nan 0.000 0.454 75 T N 1.555 116.091 114.554 -0.030 0.000 2.633 75 T HA 0.921 5.279 4.350 0.013 0.000 0.262 75 T C 0.453 175.164 174.700 0.018 0.000 0.920 75 T CA -0.150 61.980 62.100 0.049 0.000 1.062 75 T CB 1.604 70.501 68.868 0.047 0.000 1.390 75 T HN 0.934 nan 8.240 nan 0.000 0.549 76 G N 0.887 109.716 108.800 0.049 0.000 2.496 76 G HA2 0.055 4.023 3.960 0.013 0.000 0.243 76 G HA3 0.055 4.023 3.960 0.013 0.000 0.243 76 G C -0.639 174.318 174.900 0.094 0.000 1.176 76 G CA 0.311 45.430 45.100 0.033 0.000 0.940 76 G HN 1.380 nan 8.290 nan 0.000 0.573 77 K N -1.003 119.450 120.400 0.088 0.000 2.548 77 K HA 0.798 5.126 4.320 0.013 0.000 0.282 77 K C -0.106 176.609 176.600 0.191 0.000 1.006 77 K CA -0.330 56.058 56.287 0.167 0.000 0.892 77 K CB 1.503 34.057 32.500 0.090 0.000 1.499 77 K HN 1.979 nan 8.250 nan 0.000 0.433 78 A N 0.367 123.376 122.820 0.315 0.000 2.546 78 A HA 0.415 4.743 4.320 0.013 0.000 0.243 78 A C 1.301 178.942 177.584 0.096 0.000 1.063 78 A CA 1.144 53.361 52.037 0.300 0.000 0.757 78 A CB -1.321 17.855 19.000 0.293 0.000 0.991 78 A HN 1.531 nan 8.150 nan 0.000 0.503 79 G N 0.990 109.801 108.800 0.018 0.000 2.205 79 G HA2 0.141 4.109 3.960 0.013 0.000 0.261 79 G HA3 0.141 4.109 3.960 0.013 0.000 0.261 79 G C 0.517 175.393 174.900 -0.040 0.000 0.980 79 G CA 0.695 45.785 45.100 -0.016 0.000 0.632 79 G HN 2.431 nan 8.290 nan 0.000 0.533 80 A N 0.110 122.901 122.820 -0.047 0.000 3.415 80 A HA 0.646 4.974 4.320 0.013 0.000 0.244 80 A C 0.176 177.708 177.584 -0.087 0.000 0.988 80 A CA 0.051 52.054 52.037 -0.055 0.000 0.991 80 A CB 0.290 19.276 19.000 -0.023 0.000 1.240 80 A HN 0.423 nan 8.150 nan 0.000 0.541 81 Q N 0.704 120.403 119.800 -0.168 0.000 2.340 81 Q HA 0.345 4.693 4.340 0.013 0.000 0.249 81 Q C -0.574 175.317 176.000 -0.182 0.000 0.957 81 Q CA 0.346 55.998 55.803 -0.252 0.000 0.882 81 Q CB 1.159 29.622 28.738 -0.458 0.000 1.235 81 Q HN 0.454 nan 8.270 nan 0.000 0.439 82 K N 1.496 121.800 120.400 -0.159 0.000 2.323 82 K HA 0.361 4.689 4.320 0.013 0.000 0.259 82 K C -0.527 176.001 176.600 -0.120 0.000 0.947 82 K CA -0.354 55.870 56.287 -0.105 0.000 0.819 82 K CB 1.648 34.117 32.500 -0.053 0.000 1.109 82 K HN 0.664 nan 8.250 nan 0.000 0.429 83 T N -2.058 112.430 114.554 -0.110 0.000 2.883 83 T HA 0.560 4.918 4.350 0.013 0.000 0.284 83 T C -0.105 174.559 174.700 -0.060 0.000 1.041 83 T CA -0.832 61.208 62.100 -0.101 0.000 1.007 83 T CB 1.525 70.306 68.868 -0.144 0.000 1.220 83 T HN 0.405 nan 8.240 nan 0.000 0.552 84 S N -0.979 114.690 115.700 -0.050 0.000 2.607 84 S HA 0.307 4.785 4.470 0.013 0.000 0.196 84 S C -0.956 173.593 174.600 -0.085 0.000 0.911 84 S CA -0.811 57.361 58.200 -0.047 0.000 1.133 84 S CB -0.478 62.718 63.200 -0.007 0.000 1.612 84 S HN 0.724 nan 8.310 nan 0.000 0.437 85 E N 2.250 122.387 120.200 -0.104 0.000 2.465 85 E HA 0.350 4.708 4.350 0.013 0.000 0.260 85 E C -0.092 176.346 176.600 -0.270 0.000 0.980 85 E CA 0.745 57.044 56.400 -0.169 0.000 0.927 85 E CB 0.403 30.030 29.700 -0.120 0.000 0.934 85 E HN 0.504 nan 8.360 nan 0.000 0.459 86 K N 1.900 122.030 120.400 -0.451 0.000 2.512 86 K HA 0.439 4.767 4.320 0.013 0.000 0.263 86 K C -0.973 175.029 176.600 -0.996 0.000 0.966 86 K CA -0.927 55.022 56.287 -0.563 0.000 0.851 86 K CB 1.843 34.094 32.500 -0.416 0.000 1.395 86 K HN 0.494 nan 8.250 nan 0.000 0.440 87 H N 1.167 119.789 119.070 -0.746 0.000 2.572 87 H HA 0.390 4.953 4.556 0.012 0.000 0.359 87 H C -0.747 173.905 175.328 -1.126 0.000 1.134 87 H CA -0.614 54.971 56.048 -0.771 0.000 1.187 87 H CB 1.685 31.220 29.762 -0.380 0.000 1.597 87 H HN 0.491 nan 8.280 nan 0.000 0.524 88 H N 0.501 119.305 119.070 -0.443 0.000 2.759 88 H HA 0.381 4.944 4.556 0.012 0.000 0.354 88 H C -0.339 174.833 175.328 -0.259 0.000 1.074 88 H CA -0.717 55.072 56.048 -0.433 0.000 1.226 88 H CB 2.046 31.357 29.762 -0.751 0.000 1.648 88 H HN 0.730 nan 8.280 nan 0.000 0.529 89 A N 2.535 125.343 122.820 -0.020 0.000 2.407 89 A HA 0.457 4.785 4.320 0.013 0.000 0.248 89 A C -0.002 177.623 177.584 0.068 0.000 1.082 89 A CA -0.298 51.751 52.037 0.020 0.000 0.785 89 A CB 0.408 19.416 19.000 0.012 0.000 1.020 89 A HN 0.382 nan 8.150 nan 0.000 0.489 90 V N 1.590 121.551 119.914 0.078 0.000 2.577 90 V HA 0.610 4.738 4.120 0.013 0.000 0.303 90 V C -0.109 176.021 176.094 0.061 0.000 1.042 90 V CA -0.303 62.016 62.300 0.032 0.000 0.872 90 V CB 1.860 33.729 31.823 0.077 0.000 0.998 90 V HN 0.968 nan 8.190 nan 0.000 0.423 91 S N 6.367 122.116 115.700 0.083 0.000 2.614 91 S HA 0.728 5.206 4.470 0.013 0.000 0.288 91 S C -2.554 172.225 174.600 0.299 0.000 1.137 91 S CA -1.036 57.264 58.200 0.166 0.000 0.992 91 S CB 1.983 65.246 63.200 0.105 0.000 1.026 91 S HN 0.650 nan 8.310 nan 0.000 0.486 92 P HA 0.324 nan 4.420 nan 0.000 0.275 92 P C -0.342 177.110 177.300 0.254 0.000 1.266 92 P CA -0.468 62.743 63.100 0.185 0.000 0.793 92 P CB 0.185 31.945 31.700 0.101 0.000 1.074 93 A N 0.503 123.415 122.820 0.153 0.000 2.609 93 A HA 0.190 4.518 4.320 0.013 0.000 0.232 93 A C 1.760 179.457 177.584 0.187 0.000 1.041 93 A CA 0.566 52.686 52.037 0.138 0.000 0.753 93 A CB -0.687 18.361 19.000 0.080 0.000 0.966 93 A HN 0.628 nan 8.150 nan 0.000 0.510 94 A N 1.605 124.538 122.820 0.189 0.000 1.978 94 A HA -0.166 4.162 4.320 0.013 0.000 0.220 94 A C 1.494 179.157 177.584 0.132 0.000 1.170 94 A CA 2.029 54.207 52.037 0.235 0.000 0.636 94 A CB -0.475 18.646 19.000 0.202 0.000 0.810 94 A HN 0.952 nan 8.150 nan 0.000 0.448 95 D N -1.640 118.802 120.400 0.071 0.000 2.339 95 D HA -0.021 4.627 4.640 0.013 0.000 0.217 95 D C 1.242 177.552 176.300 0.016 0.000 1.050 95 D CA 0.335 54.353 54.000 0.030 0.000 0.856 95 D CB -0.166 40.649 40.800 0.025 0.000 0.922 95 D HN 0.407 nan 8.370 nan 0.000 0.518 96 Q N 0.076 119.893 119.800 0.028 0.000 2.350 96 Q HA 0.454 4.802 4.340 0.013 0.000 0.225 96 Q C 0.518 176.509 176.000 -0.014 0.000 0.878 96 Q CA 0.296 56.108 55.803 0.015 0.000 0.935 96 Q CB 1.512 30.272 28.738 0.037 0.000 1.099 96 Q HN 0.385 nan 8.270 nan 0.000 0.527 97 A N -0.086 122.709 122.820 -0.042 0.000 2.602 97 A HA 0.681 5.009 4.320 0.013 0.000 0.290 97 A C -1.506 175.976 177.584 -0.169 0.000 1.114 97 A CA -0.687 51.299 52.037 -0.085 0.000 0.683 97 A CB 0.554 19.479 19.000 -0.124 0.000 1.281 97 A HN 0.040 nan 8.150 nan 0.000 0.416 98 F N 1.352 121.214 119.950 -0.146 0.000 2.384 98 F HA 0.555 5.073 4.527 -0.015 0.000 0.338 98 F C 0.954 176.599 175.800 -0.257 0.000 1.103 98 F CA 0.817 58.758 58.000 -0.098 0.000 1.157 98 F CB 1.075 40.026 39.000 -0.081 0.000 1.167 98 F HN 0.458 nan 8.300 nan 0.000 0.529 99 H N 0.080 119.223 119.070 0.122 0.000 2.946 99 H HA 0.326 4.893 4.556 0.018 0.000 0.365 99 H C -1.023 174.180 175.328 -0.209 0.000 1.197 99 H CA -0.810 55.162 56.048 -0.128 0.000 1.131 99 H CB 2.221 31.729 29.762 -0.424 0.000 1.849 99 H HN 0.336 nan 8.280 nan 0.000 0.555 100 T N 2.815 117.302 114.554 -0.111 0.000 2.801 100 T HA 0.278 4.636 4.350 0.013 0.000 0.306 100 T C -0.495 174.108 174.700 -0.162 0.000 1.020 100 T CA -0.465 61.580 62.100 -0.091 0.000 0.948 100 T CB -0.516 68.382 68.868 0.050 0.000 0.962 100 T HN 0.202 nan 8.240 nan 0.000 0.465 101 Y N 1.562 121.890 120.300 0.047 0.000 2.326 101 Y HA 0.574 5.130 4.550 0.009 0.000 0.337 101 Y C 0.967 176.915 175.900 0.080 0.000 1.023 101 Y CA -0.674 57.448 58.100 0.035 0.000 1.143 101 Y CB 1.363 39.813 38.460 -0.017 0.000 1.183 101 Y HN 0.732 nan 8.280 nan 0.000 0.485 102 G N 3.822 112.737 108.800 0.192 0.000 2.495 102 G HA2 0.607 4.575 3.960 0.013 0.000 0.318 102 G HA3 0.607 4.575 3.960 0.013 0.000 0.318 102 G C -2.023 172.930 174.900 0.089 0.000 1.257 102 G CA -0.581 44.602 45.100 0.139 0.000 0.962 102 G HN 0.428 nan 8.290 nan 0.000 0.483 103 L N 1.395 122.656 121.223 0.064 0.000 2.381 103 L HA 0.583 4.931 4.340 0.013 0.000 0.274 103 L C -0.568 176.330 176.870 0.047 0.000 0.988 103 L CA -0.587 54.222 54.840 -0.052 0.000 0.824 103 L CB 1.673 43.668 42.059 -0.106 0.000 1.263 103 L HN 0.637 nan 8.230 nan 0.000 0.410 104 E N 3.983 124.166 120.200 -0.029 0.000 2.199 104 E HA 0.340 4.698 4.350 0.013 0.000 0.269 104 E C -1.801 174.873 176.600 0.123 0.000 0.899 104 E CA -0.539 55.867 56.400 0.010 0.000 0.772 104 E CB 2.491 32.230 29.700 0.064 0.000 1.155 104 E HN 0.426 nan 8.360 nan 0.000 0.408 105 W N 3.915 125.187 121.300 -0.045 0.000 2.756 105 W HA 0.376 5.044 4.660 0.013 0.000 0.333 105 W C -1.221 175.133 176.519 -0.274 0.000 1.025 105 W CA -0.606 56.675 57.345 -0.108 0.000 1.246 105 W CB 1.006 30.517 29.460 0.085 0.000 1.358 105 W HN 0.524 nan 8.180 nan 0.000 0.444 106 T N 2.886 117.074 114.554 -0.610 0.000 2.864 106 T HA 0.567 4.925 4.350 0.013 0.000 0.289 106 T C -2.145 171.919 174.700 -1.061 0.000 1.082 106 T CA -1.754 59.532 62.100 -1.357 0.000 1.009 106 T CB 2.454 70.460 68.868 -1.436 0.000 1.234 106 T HN 0.234 nan 8.240 nan 0.000 0.526 107 P HA -0.001 nan 4.420 nan 0.000 0.225 107 P C 0.541 177.738 177.300 -0.171 0.000 1.148 107 P CA 0.924 63.697 63.100 -0.544 0.000 0.779 107 P CB 0.080 31.515 31.700 -0.441 0.000 0.780 108 N N -1.418 117.168 118.700 -0.190 0.000 2.294 108 N HA 0.055 4.803 4.740 0.013 0.000 0.186 108 N C 0.428 176.034 175.510 0.161 0.000 1.107 108 N CA 0.281 53.346 53.050 0.024 0.000 0.884 108 N CB 0.376 38.918 38.487 0.091 0.000 1.030 108 N HN 0.355 nan 8.380 nan 0.000 0.482 109 Y N -2.275 118.052 120.300 0.044 0.000 2.656 109 Y HA 0.660 5.218 4.550 0.013 0.000 0.334 109 Y C -1.633 174.352 175.900 0.142 0.000 1.179 109 Y CA -1.266 56.898 58.100 0.105 0.000 1.050 109 Y CB 0.801 39.318 38.460 0.096 0.000 1.308 109 Y HN -0.326 nan 8.280 nan 0.000 0.456 110 V N 3.164 123.282 119.914 0.341 0.000 2.656 110 V HA 0.674 4.801 4.120 0.013 0.000 0.307 110 V C -0.738 175.534 176.094 0.298 0.000 1.051 110 V CA -0.811 61.567 62.300 0.131 0.000 0.893 110 V CB 1.806 33.567 31.823 -0.104 0.000 0.999 110 V HN 0.868 nan 8.190 nan 0.000 0.426 111 R N 3.681 124.283 120.500 0.170 0.000 2.686 111 R HA 0.471 4.819 4.340 0.013 0.000 0.283 111 R C -1.953 174.441 176.300 0.157 0.000 0.978 111 R CA -0.583 55.715 56.100 0.331 0.000 0.897 111 R CB 1.850 32.372 30.300 0.369 0.000 1.192 111 R HN 0.714 nan 8.270 nan 0.000 0.457 112 W N 3.139 124.516 121.300 0.129 0.000 2.587 112 W HA 0.310 4.976 4.660 0.011 0.000 0.324 112 W C -0.369 176.206 176.519 0.093 0.000 1.040 112 W CA -0.746 56.672 57.345 0.123 0.000 1.222 112 W CB 2.374 31.918 29.460 0.141 0.000 1.381 112 W HN 0.585 nan 8.180 nan 0.000 0.483 113 T N -0.684 114.044 114.554 0.291 0.000 2.906 113 T HA 0.691 5.049 4.350 0.013 0.000 0.295 113 T C -1.225 173.553 174.700 0.130 0.000 1.061 113 T CA -0.733 61.475 62.100 0.181 0.000 1.000 113 T CB 2.211 71.146 68.868 0.112 0.000 1.103 113 T HN 0.064 nan 8.240 nan 0.000 0.486 114 V N 2.538 122.493 119.914 0.069 0.000 2.443 114 V HA 0.385 4.513 4.120 0.013 0.000 0.293 114 V C -0.599 175.482 176.094 -0.022 0.000 1.021 114 V CA -0.679 61.580 62.300 -0.069 0.000 0.848 114 V CB 1.178 32.955 31.823 -0.076 0.000 0.998 114 V HN 1.134 nan 8.190 nan 0.000 0.424 115 D N 4.348 124.733 120.400 -0.024 0.000 2.708 115 D HA -0.197 4.451 4.640 0.013 0.000 0.236 115 D C 1.345 177.687 176.300 0.070 0.000 1.146 115 D CA 1.728 55.762 54.000 0.057 0.000 0.662 115 D CB -1.042 39.820 40.800 0.104 0.000 1.059 115 D HN 1.433 nan 8.370 nan 0.000 0.428 116 G N -1.008 107.833 108.800 0.068 0.000 2.205 116 G HA2 -0.344 3.624 3.960 0.013 0.000 0.261 116 G HA3 -0.344 3.624 3.960 0.013 0.000 0.261 116 G C 0.157 175.095 174.900 0.064 0.000 0.980 116 G CA 0.394 45.535 45.100 0.069 0.000 0.632 116 G HN 0.411 nan 8.290 nan 0.000 0.533 117 Q N 0.708 120.546 119.800 0.063 0.000 2.290 117 Q HA 0.402 4.750 4.340 0.013 0.000 0.259 117 Q C 0.191 176.237 176.000 0.077 0.000 0.941 117 Q CA -0.460 55.381 55.803 0.064 0.000 0.912 117 Q CB 1.686 30.459 28.738 0.058 0.000 1.244 117 Q HN 0.669 nan 8.270 nan 0.000 0.441 118 E N 1.475 121.721 120.200 0.077 0.000 2.415 118 E HA 0.052 4.410 4.350 0.013 0.000 0.263 118 E C 0.511 177.156 176.600 0.076 0.000 0.995 118 E CA -0.019 56.438 56.400 0.094 0.000 0.915 118 E CB 0.670 30.419 29.700 0.082 0.000 0.951 118 E HN 0.472 nan 8.360 nan 0.000 0.449 119 V N 1.747 121.701 119.914 0.068 0.000 3.562 119 V HA 0.405 4.533 4.120 0.013 0.000 0.270 119 V C 0.391 176.395 176.094 -0.150 0.000 1.418 119 V CA -0.061 62.213 62.300 -0.042 0.000 1.033 119 V CB 0.228 31.980 31.823 -0.118 0.000 0.820 119 V HN 0.642 nan 8.190 nan 0.000 0.441 120 R N 0.756 121.241 120.500 -0.026 0.000 2.604 120 R HA 0.539 4.887 4.340 0.013 0.000 0.261 120 R C -1.831 174.647 176.300 0.297 0.000 1.080 120 R CA -0.499 55.606 56.100 0.009 0.000 0.917 120 R CB 1.919 31.989 30.300 -0.382 0.000 1.252 120 R HN 0.300 nan 8.270 nan 0.000 0.456 121 K N 2.551 123.098 120.400 0.245 0.000 2.565 121 K HA 0.355 4.683 4.320 0.013 0.000 0.249 121 K C -1.720 175.050 176.600 0.283 0.000 0.958 121 K CA -0.459 56.016 56.287 0.313 0.000 0.806 121 K CB 2.320 34.904 32.500 0.141 0.000 1.194 121 K HN 0.585 nan 8.250 nan 0.000 0.434 122 T N 3.298 118.098 114.554 0.410 0.000 2.779 122 T HA 0.301 4.659 4.350 0.013 0.000 0.280 122 T C -1.037 173.839 174.700 0.293 0.000 0.987 122 T CA -0.607 61.679 62.100 0.310 0.000 0.966 122 T CB 1.193 70.274 68.868 0.356 0.000 0.933 122 T HN 0.495 nan 8.240 nan 0.000 0.442 123 E N 1.732 122.058 120.200 0.209 0.000 2.171 123 E HA 0.575 4.933 4.350 0.013 0.000 0.271 123 E C 0.783 177.474 176.600 0.152 0.000 0.916 123 E CA -0.745 55.775 56.400 0.199 0.000 0.774 123 E CB 1.864 31.651 29.700 0.146 0.000 1.128 123 E HN 0.888 nan 8.360 nan 0.000 0.403 124 G N 2.501 111.390 108.800 0.148 0.000 2.575 124 G HA2 -0.206 3.762 3.960 0.013 0.000 0.267 124 G HA3 -0.206 3.762 3.960 0.013 0.000 0.267 124 G C 0.734 175.701 174.900 0.112 0.000 1.264 124 G CA -0.157 45.012 45.100 0.114 0.000 0.935 124 G HN 1.257 nan 8.290 nan 0.000 0.568 125 G N -1.399 107.454 108.800 0.087 0.000 2.629 125 G HA2 -0.338 3.630 3.960 0.013 0.000 0.313 125 G HA3 -0.338 3.630 3.960 0.013 0.000 0.313 125 G C 1.239 176.190 174.900 0.085 0.000 1.217 125 G CA 1.643 46.790 45.100 0.078 0.000 0.994 125 G HN 1.587 nan 8.290 nan 0.000 0.549 126 Q N -0.088 119.766 119.800 0.090 0.000 2.226 126 Q HA 0.038 4.386 4.340 0.013 0.000 0.204 126 Q C 2.909 178.977 176.000 0.112 0.000 0.975 126 Q CA 1.527 57.384 55.803 0.089 0.000 0.866 126 Q CB -0.153 28.636 28.738 0.086 0.000 0.915 126 Q HN 0.495 nan 8.270 nan 0.000 0.440 127 V N 0.234 120.231 119.914 0.139 0.000 2.469 127 V HA -0.245 3.883 4.120 0.013 0.000 0.251 127 V C 1.995 178.200 176.094 0.185 0.000 1.064 127 V CA 1.817 64.221 62.300 0.173 0.000 1.066 127 V CB -0.397 31.539 31.823 0.188 0.000 0.667 127 V HN 0.275 nan 8.190 nan 0.000 0.461 128 S N 0.441 116.226 115.700 0.141 0.000 2.453 128 S HA -0.067 4.411 4.470 0.013 0.000 0.231 128 S C 1.546 176.224 174.600 0.130 0.000 1.005 128 S CA 0.770 59.047 58.200 0.129 0.000 0.949 128 S CB -0.285 62.972 63.200 0.095 0.000 0.774 128 S HN 0.633 nan 8.310 nan 0.000 0.510 129 N N 1.072 119.843 118.700 0.119 0.000 2.270 129 N HA 0.193 4.941 4.740 0.013 0.000 0.198 129 N C -0.394 175.183 175.510 0.112 0.000 1.117 129 N CA 0.142 53.253 53.050 0.101 0.000 0.845 129 N CB 0.205 38.737 38.487 0.075 0.000 0.980 129 N HN 0.361 nan 8.380 nan 0.000 0.486 130 L N 1.893 123.214 121.223 0.164 0.000 2.466 130 L HA 0.167 4.515 4.340 0.013 0.000 0.248 130 L C 0.644 177.697 176.870 0.306 0.000 1.240 130 L CA -0.280 54.662 54.840 0.171 0.000 1.180 130 L CB -0.397 41.754 42.059 0.152 0.000 1.413 130 L HN -0.004 nan 8.230 nan 0.000 0.406 131 T N -1.814 112.846 114.554 0.177 0.000 2.881 131 T HA 0.775 5.133 4.350 0.013 0.000 0.278 131 T C 0.760 175.530 174.700 0.116 0.000 0.982 131 T CA 0.119 62.306 62.100 0.145 0.000 0.989 131 T CB 2.106 71.022 68.868 0.079 0.000 1.058 131 T HN 0.636 nan 8.240 nan 0.000 0.529 132 G N 0.884 109.716 108.800 0.053 0.000 2.598 132 G HA2 0.050 4.018 3.960 0.013 0.000 0.244 132 G HA3 0.050 4.018 3.960 0.013 0.000 0.244 132 G C 0.017 174.962 174.900 0.075 0.000 1.302 132 G CA 0.029 45.142 45.100 0.022 0.000 0.903 132 G HN 1.844 nan 8.290 nan 0.000 0.575 133 T N -2.316 112.279 114.554 0.067 0.000 2.948 133 T HA 0.796 5.154 4.350 0.013 0.000 0.285 133 T C -0.236 174.544 174.700 0.134 0.000 1.019 133 T CA -0.242 61.943 62.100 0.141 0.000 1.013 133 T CB 2.304 71.205 68.868 0.054 0.000 1.117 133 T HN 0.901 nan 8.240 nan 0.000 0.533 134 Q N -0.738 119.176 119.800 0.190 0.000 2.379 134 Q HA 0.591 4.939 4.340 0.013 0.000 0.278 134 Q C -0.499 175.522 176.000 0.036 0.000 1.068 134 Q CA -1.234 54.566 55.803 -0.005 0.000 0.816 134 Q CB 2.605 31.195 28.738 -0.246 0.000 1.387 134 Q HN 1.033 nan 8.270 nan 0.000 0.413 135 G N 0.462 109.261 108.800 -0.003 0.000 2.491 135 G HA2 0.591 4.559 3.960 0.013 0.000 0.327 135 G HA3 0.591 4.559 3.960 0.013 0.000 0.327 135 G C -1.514 173.342 174.900 -0.073 0.000 1.189 135 G CA -0.433 44.693 45.100 0.044 0.000 0.956 135 G HN 0.366 nan 8.290 nan 0.000 0.491 136 L N 0.258 121.476 121.223 -0.009 0.000 2.282 136 L HA 0.691 5.039 4.340 0.013 0.000 0.288 136 L C 0.207 177.024 176.870 -0.088 0.000 1.033 136 L CA -0.603 54.157 54.840 -0.133 0.000 0.807 136 L CB 0.842 42.959 42.059 0.097 0.000 1.209 136 L HN 0.587 nan 8.230 nan 0.000 0.423 137 R N 4.186 124.313 120.500 -0.621 0.000 2.867 137 R HA 0.701 5.049 4.340 0.013 0.000 0.268 137 R C -1.685 173.986 176.300 -1.048 0.000 1.014 137 R CA -0.739 54.957 56.100 -0.672 0.000 0.946 137 R CB 1.994 31.628 30.300 -1.111 0.000 1.208 137 R HN 0.455 nan 8.270 nan 0.000 0.477 138 F N 0.946 120.831 119.950 -0.109 0.000 2.588 138 F HA 0.342 4.879 4.527 0.017 0.000 0.314 138 F C -0.357 175.554 175.800 0.186 0.000 1.134 138 F CA -0.938 57.100 58.000 0.065 0.000 0.961 138 F CB 1.914 40.894 39.000 -0.033 0.000 1.239 138 F HN 0.575 nan 8.300 nan 0.000 0.448 139 N N 2.563 121.556 118.700 0.488 0.000 2.647 139 N HA 0.699 5.447 4.740 0.013 0.000 0.266 139 N C -2.241 173.475 175.510 0.343 0.000 1.373 139 N CA -0.836 52.449 53.050 0.392 0.000 0.807 139 N CB 2.312 41.063 38.487 0.441 0.000 1.513 139 N HN 0.745 nan 8.380 nan 0.000 0.505 140 L N 1.158 122.554 121.223 0.288 0.000 2.482 140 L HA 0.610 4.958 4.340 0.013 0.000 0.269 140 L C -1.661 175.358 176.870 0.250 0.000 0.967 140 L CA -0.426 54.514 54.840 0.167 0.000 0.851 140 L CB 0.801 42.854 42.059 -0.009 0.000 1.242 140 L HN 0.896 nan 8.230 nan 0.000 0.404 141 W N 2.698 123.943 121.300 -0.091 0.000 3.019 141 W HA 0.610 5.278 4.660 0.013 0.000 0.412 141 W C -1.819 174.583 176.519 -0.196 0.000 1.087 141 W CA -0.998 56.263 57.345 -0.139 0.000 1.170 141 W CB 1.267 30.664 29.460 -0.104 0.000 1.483 141 W HN 0.443 nan 8.180 nan 0.000 0.606 142 S N 0.923 116.540 115.700 -0.139 0.000 2.614 142 S HA 0.464 4.942 4.470 0.013 0.000 0.288 142 S C -1.169 173.270 174.600 -0.269 0.000 1.137 142 S CA -0.169 57.740 58.200 -0.485 0.000 0.992 142 S CB 1.533 64.217 63.200 -0.860 0.000 1.026 142 S HN 0.628 nan 8.310 nan 0.000 0.486 143 S N 2.773 118.231 115.700 -0.403 0.000 2.554 143 S HA 0.334 4.812 4.470 0.013 0.000 0.278 143 S C 0.784 175.384 174.600 0.000 0.000 1.242 143 S CA -0.434 57.752 58.200 -0.024 0.000 1.051 143 S CB 0.743 63.968 63.200 0.042 0.000 0.986 143 S HN 0.814 nan 8.310 nan 0.000 0.502 144 E N 2.231 122.498 120.200 0.111 0.000 2.502 144 E HA 0.016 4.374 4.350 0.013 0.000 0.194 144 E C -0.049 176.610 176.600 0.099 0.000 1.062 144 E CA 0.015 56.459 56.400 0.072 0.000 0.867 144 E CB 0.277 30.028 29.700 0.085 0.000 0.888 144 E HN 0.409 nan 8.360 nan 0.000 0.510 145 S N 0.576 116.366 115.700 0.150 0.000 2.955 145 S HA 0.327 4.805 4.470 0.013 0.000 0.294 145 S C 1.089 175.771 174.600 0.138 0.000 1.198 145 S CA -0.225 58.072 58.200 0.161 0.000 1.008 145 S CB 0.562 63.905 63.200 0.239 0.000 1.279 145 S HN 0.283 nan 8.310 nan 0.000 0.508 146 A N 4.621 127.492 122.820 0.084 0.000 2.024 146 A HA 0.023 4.351 4.320 0.013 0.000 0.220 146 A C 2.326 179.947 177.584 0.062 0.000 1.164 146 A CA 1.755 53.826 52.037 0.056 0.000 0.643 146 A CB -0.939 18.087 19.000 0.045 0.000 0.806 146 A HN 1.094 nan 8.150 nan 0.000 0.451 147 A N -2.084 120.790 122.820 0.089 0.000 2.014 147 A HA -0.066 4.262 4.320 0.013 0.000 0.218 147 A C 1.892 179.570 177.584 0.156 0.000 1.163 147 A CA 1.446 53.537 52.037 0.090 0.000 0.652 147 A CB -0.585 18.461 19.000 0.076 0.000 0.808 147 A HN 0.836 nan 8.150 nan 0.000 0.449 148 W N 0.439 121.721 121.300 -0.029 0.000 2.481 148 W HA -0.005 4.665 4.660 0.017 0.000 0.293 148 W C 1.719 178.206 176.519 -0.053 0.000 1.201 148 W CA 2.137 59.462 57.345 -0.033 0.000 1.328 148 W CB 0.021 29.465 29.460 -0.027 0.000 1.112 148 W HN 0.256 nan 8.180 nan 0.000 0.546 149 V N -1.276 118.566 119.914 -0.121 0.000 3.556 149 V HA 0.634 4.762 4.120 0.013 0.000 0.287 149 V C 0.693 176.685 176.094 -0.170 0.000 1.422 149 V CA 0.261 62.367 62.300 -0.324 0.000 1.038 149 V CB -0.411 31.142 31.823 -0.450 0.000 0.850 149 V HN 0.502 nan 8.190 nan 0.000 0.437 150 G N 0.590 109.346 108.800 -0.073 0.000 2.699 150 G HA2 -0.159 3.809 3.960 0.013 0.000 0.686 150 G HA3 -0.159 3.809 3.960 0.013 0.000 0.686 150 G C -0.562 174.332 174.900 -0.009 0.000 1.301 150 G CA -0.090 44.984 45.100 -0.042 0.000 0.816 150 G HN 0.775 nan 8.290 nan 0.000 0.595 151 Q N -0.895 118.910 119.800 0.008 0.000 2.349 151 Q HA 0.369 4.717 4.340 0.013 0.000 0.287 151 Q C 0.043 176.092 176.000 0.080 0.000 1.044 151 Q CA -0.450 55.377 55.803 0.040 0.000 0.918 151 Q CB 0.294 29.043 28.738 0.018 0.000 1.242 151 Q HN 0.787 nan 8.270 nan 0.000 0.405 152 F N 4.284 124.184 119.950 -0.084 0.000 2.466 152 F HA 0.081 4.615 4.527 0.012 0.000 0.363 152 F C -0.305 175.426 175.800 -0.114 0.000 1.109 152 F CA -0.921 57.003 58.000 -0.126 0.000 1.161 152 F CB 0.377 39.289 39.000 -0.146 0.000 1.117 152 F HN 0.519 nan 8.300 nan 0.000 0.539 153 D N 5.662 125.845 120.400 -0.361 0.000 2.558 153 D HA 0.047 4.695 4.640 0.013 0.000 0.221 153 D C 0.964 176.796 176.300 -0.779 0.000 1.143 153 D CA 0.131 53.871 54.000 -0.433 0.000 1.010 153 D CB 0.099 40.768 40.800 -0.218 0.000 1.068 153 D HN 0.709 nan 8.370 nan 0.000 0.511 154 E N 0.518 120.080 120.200 -1.063 0.000 2.204 154 E HA -0.192 4.166 4.350 0.013 0.000 0.195 154 E C 1.815 178.173 176.600 -0.404 0.000 0.990 154 E CA 1.020 56.837 56.400 -0.972 0.000 0.821 154 E CB -0.018 29.327 29.700 -0.591 0.000 0.750 154 E HN 0.507 nan 8.360 nan 0.000 0.477 155 S N 1.287 116.816 115.700 -0.284 0.000 2.442 155 S HA -0.167 4.311 4.470 0.013 0.000 0.236 155 S C 1.873 176.397 174.600 -0.126 0.000 1.007 155 S CA 1.089 59.198 58.200 -0.153 0.000 0.965 155 S CB -0.093 63.036 63.200 -0.118 0.000 0.773 155 S HN 0.111 nan 8.310 nan 0.000 0.504 156 K N 0.244 120.545 120.400 -0.165 0.000 2.418 156 K HA 0.264 4.592 4.320 0.013 0.000 0.195 156 K C 0.258 176.805 176.600 -0.089 0.000 1.035 156 K CA -0.120 56.102 56.287 -0.108 0.000 1.003 156 K CB -0.136 32.299 32.500 -0.109 0.000 0.793 156 K HN 0.427 nan 8.250 nan 0.000 0.494 157 L N 2.948 124.105 121.223 -0.111 0.000 2.452 157 L HA 0.164 4.512 4.340 0.013 0.000 0.267 157 L C -1.779 175.076 176.870 -0.026 0.000 1.188 157 L CA -1.790 53.004 54.840 -0.076 0.000 0.821 157 L CB 0.099 42.136 42.059 -0.037 0.000 1.102 157 L HN 0.136 nan 8.230 nan 0.000 0.470 158 P HA 0.344 nan 4.420 nan 0.000 0.277 158 P C -1.230 175.889 177.300 -0.301 0.000 1.240 158 P CA -0.358 62.642 63.100 -0.166 0.000 0.798 158 P CB 1.323 32.961 31.700 -0.104 0.000 0.979 159 L N 1.620 122.509 121.223 -0.557 0.000 2.354 159 L HA 0.572 4.920 4.340 0.013 0.000 0.269 159 L C -0.441 175.906 176.870 -0.873 0.000 1.005 159 L CA -0.792 53.770 54.840 -0.463 0.000 0.819 159 L CB 1.478 43.401 42.059 -0.228 0.000 1.311 159 L HN 0.290 nan 8.230 nan 0.000 0.423 160 F N 0.322 120.235 119.950 -0.062 0.000 2.556 160 F HA 0.457 4.996 4.527 0.019 0.000 0.314 160 F C -0.166 175.327 175.800 -0.510 0.000 1.106 160 F CA -0.582 57.214 58.000 -0.340 0.000 0.911 160 F CB 2.045 40.777 39.000 -0.446 0.000 1.190 160 F HN 0.348 nan 8.300 nan 0.000 0.448 161 Q N 2.957 122.478 119.800 -0.464 0.000 2.322 161 Q HA 0.571 4.919 4.340 0.013 0.000 0.265 161 Q C -1.973 173.658 176.000 -0.616 0.000 0.985 161 Q CA -0.555 55.021 55.803 -0.378 0.000 0.849 161 Q CB 1.217 29.812 28.738 -0.238 0.000 1.274 161 Q HN 0.608 nan 8.270 nan 0.000 0.449 162 F N 4.239 124.090 119.950 -0.165 0.000 2.444 162 F HA 0.490 5.055 4.527 0.063 0.000 0.342 162 F C -0.139 175.594 175.800 -0.112 0.000 1.121 162 F CA -0.733 57.185 58.000 -0.137 0.000 0.997 162 F CB 1.232 40.222 39.000 -0.016 0.000 1.130 162 F HN 0.388 nan 8.300 nan 0.000 0.454 163 I N 3.247 123.762 120.570 -0.092 0.000 2.354 163 I HA 0.207 4.385 4.170 0.013 0.000 0.286 163 I C 0.632 176.732 176.117 -0.027 0.000 1.007 163 I CA -0.497 60.677 61.300 -0.211 0.000 1.167 163 I CB 1.330 38.902 38.000 -0.713 0.000 1.320 163 I HN 0.599 nan 8.210 nan 0.000 0.458 164 N N 7.529 126.294 118.700 0.108 0.000 2.135 164 N HA -0.016 4.732 4.740 0.013 0.000 0.186 164 N C -0.477 175.279 175.510 0.410 0.000 1.027 164 N CA 1.327 54.459 53.050 0.137 0.000 0.849 164 N CB 0.482 38.897 38.487 -0.120 0.000 1.002 164 N HN 0.672 nan 8.380 nan 0.000 0.425 165 W N -1.835 119.680 121.300 0.359 0.000 3.153 165 W HA 0.556 5.225 4.660 0.014 0.000 0.316 165 W C -1.877 174.861 176.519 0.366 0.000 1.255 165 W CA -0.796 56.758 57.345 0.347 0.000 1.192 165 W CB 0.428 29.976 29.460 0.147 0.000 1.400 165 W HN -0.383 nan 8.180 nan 0.000 0.568 166 V N 2.033 122.388 119.914 0.735 0.000 2.709 166 V HA 0.482 4.610 4.120 0.013 0.000 0.308 166 V C -0.523 175.838 176.094 0.444 0.000 1.062 166 V CA -0.923 61.765 62.300 0.647 0.000 0.901 166 V CB 2.206 34.487 31.823 0.763 0.000 1.003 166 V HN 0.494 nan 8.190 nan 0.000 0.425 167 K N 3.218 123.820 120.400 0.336 0.000 2.397 167 K HA 0.778 5.106 4.320 0.013 0.000 0.253 167 K C -1.562 174.877 176.600 -0.268 0.000 0.932 167 K CA -0.646 55.605 56.287 -0.061 0.000 0.795 167 K CB 2.611 35.100 32.500 -0.017 0.000 1.159 167 K HN 0.396 nan 8.250 nan 0.000 0.424 168 V N 3.727 123.167 119.914 -0.790 0.000 2.555 168 V HA 0.448 4.576 4.120 0.013 0.000 0.302 168 V C -1.172 174.556 176.094 -0.610 0.000 1.038 168 V CA -0.798 61.047 62.300 -0.758 0.000 0.887 168 V CB 0.993 32.068 31.823 -1.246 0.000 0.991 168 V HN 0.624 nan 8.190 nan 0.000 0.434 169 Y N 2.235 122.237 120.300 -0.497 0.000 2.485 169 Y HA 0.546 5.104 4.550 0.012 0.000 0.345 169 Y C 0.327 176.134 175.900 -0.155 0.000 0.998 169 Y CA -1.086 56.868 58.100 -0.244 0.000 1.059 169 Y CB 1.943 40.320 38.460 -0.138 0.000 1.234 169 Y HN 0.428 nan 8.280 nan 0.000 0.461 170 K N 1.219 121.706 120.400 0.146 0.000 2.185 170 K HA 0.134 4.462 4.320 0.013 0.000 0.271 170 K C -1.204 175.560 176.600 0.273 0.000 1.013 170 K CA -0.771 55.609 56.287 0.154 0.000 0.943 170 K CB 0.738 33.295 32.500 0.095 0.000 0.998 170 K HN 0.564 nan 8.250 nan 0.000 0.468 171 Y N 2.507 122.869 120.300 0.102 0.000 2.584 171 Y HA 0.023 4.581 4.550 0.013 0.000 0.351 171 Y C -0.217 175.619 175.900 -0.108 0.000 1.030 171 Y CA -0.430 57.658 58.100 -0.020 0.000 1.332 171 Y CB -0.147 38.298 38.460 -0.024 0.000 1.148 171 Y HN 0.489 nan 8.280 nan 0.000 0.528 172 T N 6.558 120.858 114.554 -0.424 0.000 3.331 172 T HA 0.331 4.689 4.350 0.013 0.000 0.381 172 T C -3.025 171.325 174.700 -0.583 0.000 1.656 172 T CA -2.192 59.657 62.100 -0.419 0.000 1.453 172 T CB 0.532 69.291 68.868 -0.182 0.000 1.066 172 T HN 0.459 nan 8.240 nan 0.000 0.655 173 P HA 0.236 nan 4.420 nan 0.000 0.265 173 P C 1.201 178.291 177.300 -0.350 0.000 1.222 173 P CA 0.823 63.514 63.100 -0.681 0.000 0.767 173 P CB 0.575 31.793 31.700 -0.803 0.000 0.801 174 G N 3.927 112.584 108.800 -0.238 0.000 2.245 174 G HA2 -0.256 3.712 3.960 0.013 0.000 0.264 174 G HA3 -0.256 3.712 3.960 0.013 0.000 0.264 174 G C 0.795 175.617 174.900 -0.130 0.000 0.985 174 G CA 0.019 45.031 45.100 -0.148 0.000 0.625 174 G HN 0.537 nan 8.290 nan 0.000 0.536 175 Q N 0.334 120.035 119.800 -0.164 0.000 2.189 175 Q HA 0.307 4.655 4.340 0.013 0.000 0.223 175 Q C 1.600 177.539 176.000 -0.102 0.000 0.828 175 Q CA 0.489 56.220 55.803 -0.119 0.000 0.967 175 Q CB 0.700 29.363 28.738 -0.125 0.000 1.139 175 Q HN 0.644 nan 8.270 nan 0.000 0.497 176 G N 2.263 110.987 108.800 -0.126 0.000 2.661 176 G HA2 0.058 4.026 3.960 0.013 0.000 0.272 176 G HA3 0.058 4.026 3.960 0.013 0.000 0.272 176 G C -0.024 174.868 174.900 -0.014 0.000 1.296 176 G CA -0.293 44.762 45.100 -0.074 0.000 0.998 176 G HN 0.253 nan 8.290 nan 0.000 0.553 177 E N -1.389 118.835 120.200 0.039 0.000 2.204 177 E HA 0.482 4.840 4.350 0.013 0.000 0.276 177 E C 0.663 177.292 176.600 0.049 0.000 0.974 177 E CA -0.538 55.891 56.400 0.048 0.000 0.815 177 E CB 1.226 30.973 29.700 0.078 0.000 1.119 177 E HN 1.277 nan 8.360 nan 0.000 0.393 178 G N 1.878 110.697 108.800 0.033 0.000 2.203 178 G HA2 -0.250 3.718 3.960 0.013 0.000 0.263 178 G HA3 -0.250 3.718 3.960 0.013 0.000 0.263 178 G C 0.971 175.886 174.900 0.026 0.000 1.012 178 G CA 0.500 45.618 45.100 0.031 0.000 0.749 178 G HN 1.664 nan 8.290 nan 0.000 0.512 179 G N -1.726 107.082 108.800 0.014 0.000 2.258 179 G HA2 0.020 3.988 3.960 0.013 0.000 0.233 179 G HA3 0.020 3.988 3.960 0.013 0.000 0.233 179 G C 1.270 176.172 174.900 0.003 0.000 1.006 179 G CA 1.387 46.490 45.100 0.004 0.000 0.620 179 G HN 2.429 nan 8.290 nan 0.000 0.511 180 S N 0.210 115.927 115.700 0.028 0.000 2.612 180 S HA 0.437 4.915 4.470 0.013 0.000 0.253 180 S C 0.466 175.040 174.600 -0.044 0.000 1.346 180 S CA 0.788 59.015 58.200 0.044 0.000 0.976 180 S CB 0.866 64.145 63.200 0.132 0.000 0.949 180 S HN 0.146 nan 8.310 nan 0.000 0.584 181 D N -0.134 120.175 120.400 -0.151 0.000 2.424 181 D HA 0.334 4.982 4.640 0.013 0.000 0.220 181 D C -1.001 174.855 176.300 -0.740 0.000 1.150 181 D CA 0.251 53.982 54.000 -0.448 0.000 0.831 181 D CB -0.215 40.299 40.800 -0.477 0.000 0.981 181 D HN 0.406 nan 8.370 nan 0.000 0.500 182 F N 0.004 119.968 119.950 0.023 0.000 2.556 182 F HA 0.343 4.879 4.527 0.015 0.000 0.314 182 F C 0.373 176.234 175.800 0.103 0.000 1.106 182 F CA -0.787 57.242 58.000 0.048 0.000 0.911 182 F CB 2.139 41.110 39.000 -0.048 0.000 1.190 182 F HN -0.447 nan 8.300 nan 0.000 0.448 183 T N 3.977 118.708 114.554 0.295 0.000 2.786 183 T HA 0.340 4.698 4.350 0.013 0.000 0.283 183 T C -0.697 174.116 174.700 0.188 0.000 0.992 183 T CA -0.509 61.712 62.100 0.200 0.000 0.954 183 T CB 1.175 70.088 68.868 0.076 0.000 0.934 183 T HN 0.438 nan 8.240 nan 0.000 0.440 184 L N 3.594 124.870 121.223 0.089 0.000 2.601 184 L HA 0.132 4.480 4.340 0.013 0.000 0.277 184 L C 0.885 177.637 176.870 -0.196 0.000 1.219 184 L CA 0.814 55.453 54.840 -0.336 0.000 0.915 184 L CB 0.357 42.180 42.059 -0.393 0.000 1.160 184 L HN 0.670 nan 8.230 nan 0.000 0.494 185 D N 4.729 124.982 120.400 -0.244 0.000 2.566 185 D HA 0.096 4.744 4.640 0.013 0.000 0.253 185 D C -0.562 175.771 176.300 0.055 0.000 0.992 185 D CA 0.862 54.827 54.000 -0.059 0.000 0.940 185 D CB 0.295 41.095 40.800 -0.000 0.000 1.095 185 D HN 0.554 nan 8.370 nan 0.000 0.480 186 W N -0.449 120.753 121.300 -0.163 0.000 3.074 186 W HA 0.604 5.271 4.660 0.011 0.000 0.332 186 W C -1.688 174.749 176.519 -0.137 0.000 1.253 186 W CA -0.876 56.387 57.345 -0.138 0.000 1.180 186 W CB 0.368 29.763 29.460 -0.108 0.000 1.445 186 W HN -0.256 nan 8.180 nan 0.000 0.573 187 T N 1.926 116.662 114.554 0.303 0.000 2.916 187 T HA 0.238 4.596 4.350 0.013 0.000 0.298 187 T C -1.703 173.148 174.700 0.252 0.000 1.031 187 T CA -0.379 61.825 62.100 0.173 0.000 0.993 187 T CB 2.421 71.263 68.868 -0.043 0.000 1.045 187 T HN 0.370 nan 8.240 nan 0.000 0.454 188 D N 1.404 121.930 120.400 0.209 0.000 2.492 188 D HA 0.311 4.959 4.640 0.013 0.000 0.248 188 D C 0.047 176.182 176.300 -0.276 0.000 1.101 188 D CA -0.513 53.430 54.000 -0.096 0.000 0.840 188 D CB 1.211 41.883 40.800 -0.213 0.000 1.209 188 D HN 0.304 nan 8.370 nan 0.000 0.524 189 N N 2.840 121.446 118.700 -0.157 0.000 2.280 189 N HA 0.029 4.777 4.740 0.013 0.000 0.192 189 N C 0.093 175.675 175.510 0.121 0.000 1.109 189 N CA -0.084 52.989 53.050 0.039 0.000 0.855 189 N CB 0.197 38.715 38.487 0.051 0.000 0.974 189 N HN 0.504 nan 8.380 nan 0.000 0.482 190 F N 0.390 120.429 119.950 0.149 0.000 3.091 190 F HA -0.237 4.298 4.527 0.014 0.000 0.288 190 F C 0.649 176.497 175.800 0.080 0.000 0.907 190 F CA -0.033 58.022 58.000 0.091 0.000 1.028 190 F CB -1.461 37.570 39.000 0.050 0.000 1.022 190 F HN 0.017 nan 8.300 nan 0.000 0.665 191 D N -0.164 120.340 120.400 0.173 0.000 2.347 191 D HA 0.012 4.660 4.640 0.013 0.000 0.215 191 D C 1.390 177.775 176.300 0.141 0.000 0.976 191 D CA 1.788 55.868 54.000 0.134 0.000 0.884 191 D CB 0.232 41.081 40.800 0.082 0.000 0.915 191 D HN 0.551 nan 8.370 nan 0.000 0.526 192 T N -3.310 111.345 114.554 0.169 0.000 2.792 192 T HA 0.379 4.737 4.350 0.013 0.000 0.303 192 T C -1.083 173.767 174.700 0.250 0.000 1.310 192 T CA -1.023 61.187 62.100 0.183 0.000 1.007 192 T CB 1.299 70.242 68.868 0.125 0.000 1.335 192 T HN -0.137 nan 8.240 nan 0.000 0.504 193 F N 2.391 122.425 119.950 0.141 0.000 2.404 193 F HA 0.499 5.033 4.527 0.011 0.000 0.358 193 F C -0.031 175.865 175.800 0.159 0.000 1.120 193 F CA -0.892 57.196 58.000 0.148 0.000 1.144 193 F CB 0.724 39.775 39.000 0.084 0.000 1.133 193 F HN 0.665 nan 8.300 nan 0.000 0.495 194 D N 4.737 124.889 120.400 -0.414 0.000 2.479 194 D HA 0.199 4.847 4.640 0.013 0.000 0.218 194 D C 1.199 177.247 176.300 -0.420 0.000 1.131 194 D CA -0.104 53.744 54.000 -0.254 0.000 0.916 194 D CB 1.084 41.821 40.800 -0.105 0.000 1.022 194 D HN 0.803 nan 8.370 nan 0.000 0.515 195 G N 1.924 110.577 108.800 -0.245 0.000 2.708 195 G HA2 -0.183 3.785 3.960 0.013 0.000 0.210 195 G HA3 -0.183 3.785 3.960 0.013 0.000 0.210 195 G C 1.290 176.156 174.900 -0.056 0.000 1.141 195 G CA 0.786 45.856 45.100 -0.049 0.000 0.788 195 G HN 0.491 nan 8.290 nan 0.000 0.531 196 S N -0.714 114.914 115.700 -0.119 0.000 2.558 196 S HA 0.149 4.627 4.470 0.013 0.000 0.217 196 S C 1.859 176.317 174.600 -0.237 0.000 0.975 196 S CA 0.519 58.638 58.200 -0.134 0.000 0.912 196 S CB 0.237 63.359 63.200 -0.129 0.000 0.776 196 S HN 0.443 nan 8.310 nan 0.000 0.526 197 R N -0.773 119.529 120.500 -0.329 0.000 2.276 197 R HA 0.390 4.738 4.340 0.013 0.000 0.195 197 R C -0.740 175.191 176.300 -0.615 0.000 0.908 197 R CA -0.109 55.628 56.100 -0.605 0.000 1.083 197 R CB 0.385 30.154 30.300 -0.885 0.000 1.182 197 R HN 0.434 nan 8.270 nan 0.000 0.608 198 W N -0.346 120.781 121.300 -0.287 0.000 2.719 198 W HA 0.717 5.389 4.660 0.019 0.000 0.352 198 W C 0.031 176.435 176.519 -0.192 0.000 1.085 198 W CA -0.902 56.309 57.345 -0.224 0.000 1.187 198 W CB 1.510 30.843 29.460 -0.212 0.000 1.417 198 W HN 0.086 nan 8.180 nan 0.000 0.557 199 G N 0.774 109.453 108.800 -0.201 0.000 2.511 199 G HA2 0.746 4.714 3.960 0.013 0.000 0.318 199 G HA3 0.746 4.714 3.960 0.013 0.000 0.318 199 G C -1.551 173.089 174.900 -0.434 0.000 1.210 199 G CA -1.132 43.647 45.100 -0.535 0.000 0.969 199 G HN 0.317 nan 8.290 nan 0.000 0.484 200 K N 0.333 120.683 120.400 -0.083 0.000 2.323 200 K HA 0.480 4.808 4.320 0.013 0.000 0.259 200 K C 0.396 177.073 176.600 0.128 0.000 0.947 200 K CA -0.658 55.628 56.287 -0.001 0.000 0.819 200 K CB 2.204 34.625 32.500 -0.131 0.000 1.109 200 K HN 0.611 nan 8.250 nan 0.000 0.429 201 G N 1.277 110.070 108.800 -0.012 0.000 2.414 201 G HA2 -0.013 3.955 3.960 0.013 0.000 0.236 201 G HA3 -0.013 3.955 3.960 0.013 0.000 0.236 201 G C -0.296 174.270 174.900 -0.556 0.000 1.293 201 G CA 0.287 44.973 45.100 -0.690 0.000 0.869 201 G HN 0.668 nan 8.290 nan 0.000 0.556 202 D N 1.665 121.751 120.400 -0.525 0.000 2.968 202 D HA 0.331 4.979 4.640 0.013 0.000 0.301 202 D C -0.588 175.778 176.300 0.110 0.000 1.226 202 D CA -0.605 53.326 54.000 -0.115 0.000 0.746 202 D CB -0.151 40.700 40.800 0.086 0.000 1.278 202 D HN 0.543 nan 8.370 nan 0.000 0.544 203 W N -0.425 120.888 121.300 0.021 0.000 2.826 203 W HA 0.702 5.372 4.660 0.016 0.000 0.410 203 W C -1.188 175.308 176.519 -0.038 0.000 1.128 203 W CA -0.855 56.492 57.345 0.003 0.000 1.176 203 W CB 0.476 29.947 29.460 0.018 0.000 1.475 203 W HN -0.059 nan 8.180 nan 0.000 0.588 204 T N 0.105 114.838 114.554 0.298 0.000 2.696 204 T HA 0.815 5.173 4.350 0.013 0.000 0.291 204 T C -1.899 172.907 174.700 0.177 0.000 1.095 204 T CA -0.482 61.631 62.100 0.022 0.000 1.026 204 T CB 1.024 69.834 68.868 -0.096 0.000 1.390 204 T HN 1.003 nan 8.240 nan 0.000 0.513 205 F N -0.691 119.286 119.950 0.046 0.000 2.713 205 F HA 0.651 5.185 4.527 0.013 0.000 0.311 205 F C -1.124 174.675 175.800 -0.002 0.000 1.141 205 F CA -1.407 56.598 58.000 0.009 0.000 0.939 205 F CB 0.087 39.065 39.000 -0.036 0.000 1.325 205 F HN 0.295 nan 8.300 nan 0.000 0.453 206 D N 0.922 121.493 120.400 0.284 0.000 2.455 206 D HA 0.410 5.058 4.640 0.013 0.000 0.241 206 D C 1.223 177.679 176.300 0.260 0.000 1.138 206 D CA 1.858 55.969 54.000 0.186 0.000 0.877 206 D CB 1.031 41.915 40.800 0.140 0.000 1.187 206 D HN 1.186 nan 8.370 nan 0.000 0.451 207 G N 2.072 110.974 108.800 0.171 0.000 2.195 207 G HA2 -0.277 3.691 3.960 0.013 0.000 0.246 207 G HA3 -0.277 3.691 3.960 0.013 0.000 0.246 207 G C 0.427 175.487 174.900 0.266 0.000 0.984 207 G CA -0.038 45.202 45.100 0.233 0.000 0.633 207 G HN 0.614 nan 8.290 nan 0.000 0.525 208 N N 0.657 119.372 118.700 0.025 0.000 2.425 208 N HA 0.412 5.160 4.740 0.013 0.000 0.268 208 N C 1.423 176.882 175.510 -0.085 0.000 0.991 208 N CA -0.513 52.465 53.050 -0.121 0.000 0.931 208 N CB 0.728 38.552 38.487 -1.106 0.000 1.130 208 N HN 0.567 nan 8.380 nan 0.000 0.493 209 R N 1.798 122.284 120.500 -0.023 0.000 2.320 209 R HA 0.135 4.482 4.340 0.013 0.000 0.211 209 R C 0.322 176.648 176.300 0.043 0.000 0.931 209 R CA -0.141 55.951 56.100 -0.015 0.000 1.071 209 R CB -0.261 29.999 30.300 -0.066 0.000 1.025 209 R HN 0.244 nan 8.270 nan 0.000 0.495 210 V N -1.868 118.031 119.914 -0.025 0.000 3.001 210 V HA 0.487 4.615 4.120 0.013 0.000 0.314 210 V C -1.368 174.673 176.094 -0.089 0.000 1.099 210 V CA -1.213 61.094 62.300 0.012 0.000 0.989 210 V CB 2.277 34.118 31.823 0.029 0.000 1.040 210 V HN -0.099 nan 8.190 nan 0.000 0.434 211 D N 2.787 123.153 120.400 -0.057 0.000 2.225 211 D HA 0.519 5.167 4.640 0.013 0.000 0.248 211 D C -0.248 175.970 176.300 -0.136 0.000 1.096 211 D CA 0.156 54.098 54.000 -0.096 0.000 0.863 211 D CB 1.545 42.313 40.800 -0.053 0.000 1.156 211 D HN 0.655 nan 8.370 nan 0.000 0.450 212 L N 2.272 123.352 121.223 -0.238 0.000 2.290 212 L HA 0.352 4.700 4.340 0.013 0.000 0.284 212 L C 0.938 177.656 176.870 -0.253 0.000 1.078 212 L CA -0.190 54.473 54.840 -0.295 0.000 0.815 212 L CB 0.861 42.598 42.059 -0.537 0.000 1.162 212 L HN 0.388 nan 8.230 nan 0.000 0.435 213 T N -2.323 112.127 114.554 -0.175 0.000 2.896 213 T HA 0.184 4.542 4.350 0.013 0.000 0.297 213 T C 0.585 175.213 174.700 -0.119 0.000 1.108 213 T CA -0.738 61.286 62.100 -0.125 0.000 1.004 213 T CB 1.832 70.660 68.868 -0.066 0.000 1.159 213 T HN 0.696 nan 8.240 nan 0.000 0.499 214 D N 0.806 121.149 120.400 -0.095 0.000 2.350 214 D HA -0.087 4.561 4.640 0.013 0.000 0.216 214 D C 1.100 177.347 176.300 -0.088 0.000 0.968 214 D CA 0.569 54.501 54.000 -0.114 0.000 0.894 214 D CB 0.046 40.794 40.800 -0.087 0.000 0.909 214 D HN 0.667 nan 8.370 nan 0.000 0.520 215 K N -0.193 120.187 120.400 -0.032 0.000 2.459 215 K HA 0.037 4.365 4.320 0.013 0.000 0.193 215 K C 0.573 177.236 176.600 0.104 0.000 1.030 215 K CA 0.246 56.558 56.287 0.041 0.000 1.026 215 K CB 0.029 32.556 32.500 0.046 0.000 0.809 215 K HN 0.067 nan 8.250 nan 0.000 0.504 216 N N 0.408 119.096 118.700 -0.020 0.000 2.268 216 N HA 0.175 4.923 4.740 0.013 0.000 0.204 216 N C -0.674 174.631 175.510 -0.343 0.000 1.124 216 N CA 0.266 53.262 53.050 -0.090 0.000 0.838 216 N CB 0.546 38.977 38.487 -0.093 0.000 0.994 216 N HN 0.031 nan 8.380 nan 0.000 0.489 217 I N 0.863 121.207 120.570 -0.376 0.000 2.499 217 I HA 0.366 4.544 4.170 0.013 0.000 0.288 217 I C -1.372 174.468 176.117 -0.461 0.000 1.048 217 I CA -1.101 59.877 61.300 -0.535 0.000 1.062 217 I CB 1.293 39.054 38.000 -0.400 0.000 1.238 217 I HN -0.021 nan 8.210 nan 0.000 0.426 218 Y N 2.715 122.914 120.300 -0.169 0.000 2.713 218 Y HA 0.660 5.213 4.550 0.006 0.000 0.335 218 Y C -0.829 175.029 175.900 -0.070 0.000 1.222 218 Y CA -1.474 56.559 58.100 -0.110 0.000 1.061 218 Y CB 0.655 39.071 38.460 -0.074 0.000 1.314 218 Y HN 0.453 nan 8.280 nan 0.000 0.453 219 S N 1.359 117.198 115.700 0.230 0.000 2.532 219 S HA 0.932 5.410 4.470 0.013 0.000 0.301 219 S C -0.966 173.731 174.600 0.161 0.000 1.083 219 S CA -0.719 57.581 58.200 0.166 0.000 1.025 219 S CB 2.528 65.847 63.200 0.198 0.000 1.056 219 S HN 1.004 nan 8.310 nan 0.000 0.494 220 R N 0.573 121.147 120.500 0.123 0.000 2.579 220 R HA 0.405 4.753 4.340 0.013 0.000 0.260 220 R C -1.756 174.596 176.300 0.087 0.000 1.103 220 R CA -0.008 56.151 56.100 0.099 0.000 0.942 220 R CB 0.292 30.648 30.300 0.092 0.000 1.251 220 R HN 0.682 nan 8.270 nan 0.000 0.450 221 D N 2.512 122.959 120.400 0.078 0.000 2.701 221 D HA -0.148 4.500 4.640 0.013 0.000 0.235 221 D C 0.447 176.790 176.300 0.072 0.000 1.155 221 D CA 2.516 56.554 54.000 0.065 0.000 0.649 221 D CB -1.170 39.661 40.800 0.052 0.000 1.050 221 D HN 1.196 nan 8.370 nan 0.000 0.425 225 I N 5.104 125.422 120.570 -0.420 0.000 2.377 225 I HA 0.448 4.626 4.170 0.013 0.000 0.293 225 I C -0.357 175.368 176.117 -0.653 0.000 0.987 225 I CA -0.666 60.282 61.300 -0.587 0.000 1.185 225 I CB 1.940 39.590 38.000 -0.585 0.000 1.341 225 I HN 0.398 nan 8.210 nan 0.000 0.455 226 L N 5.885 126.788 121.223 -0.535 0.000 2.296 226 L HA 0.710 5.058 4.340 0.013 0.000 0.286 226 L C -0.022 176.666 176.870 -0.303 0.000 1.023 226 L CA -0.561 54.038 54.840 -0.402 0.000 0.812 226 L CB 1.732 43.617 42.059 -0.290 0.000 1.223 226 L HN 0.654 nan 8.230 nan 0.000 0.421 227 A N 4.913 127.588 122.820 -0.242 0.000 2.330 227 A HA 0.700 5.028 4.320 0.013 0.000 0.327 227 A C -0.976 176.482 177.584 -0.210 0.000 1.155 227 A CA -0.484 51.440 52.037 -0.189 0.000 0.803 227 A CB 1.453 20.512 19.000 0.098 0.000 1.208 227 A HN 0.710 nan 8.150 nan 0.000 0.477 228 L N 3.459 124.494 121.223 -0.314 0.000 2.318 228 L HA 0.628 4.976 4.340 0.013 0.000 0.277 228 L C -0.101 176.673 176.870 -0.160 0.000 1.008 228 L CA -0.010 54.722 54.840 -0.180 0.000 0.846 228 L CB 1.322 43.275 42.059 -0.177 0.000 1.220 228 L HN 1.061 nan 8.230 nan 0.000 0.423 229 T N 0.908 115.456 114.554 -0.010 0.000 2.812 229 T HA 0.526 4.884 4.350 0.013 0.000 0.294 229 T C -0.196 174.649 174.700 0.242 0.000 1.159 229 T CA -1.007 61.138 62.100 0.074 0.000 1.008 229 T CB 1.593 70.498 68.868 0.061 0.000 1.289 229 T HN 0.486 nan 8.240 nan 0.000 0.514 230 R N 0.947 121.590 120.500 0.238 0.000 2.641 230 R HA 0.346 4.694 4.340 0.013 0.000 0.269 230 R C 0.284 176.619 176.300 0.058 0.000 1.074 230 R CA -0.831 55.375 56.100 0.176 0.000 1.133 230 R CB 0.423 30.773 30.300 0.084 0.000 1.029 230 R HN 0.449 nan 8.270 nan 0.000 0.488 231 K N 0.985 121.363 120.400 -0.037 0.000 2.524 231 K HA -0.054 4.274 4.320 0.013 0.000 0.279 231 K C 1.022 177.616 176.600 -0.010 0.000 0.993 231 K CA 1.240 57.510 56.287 -0.027 0.000 1.030 231 K CB 0.647 33.103 32.500 -0.073 0.000 0.891 231 K HN 0.965 nan 8.250 nan 0.000 0.488 232 G N 2.783 111.589 108.800 0.010 0.000 2.179 232 G HA2 -0.308 3.660 3.960 0.013 0.000 0.260 232 G HA3 -0.308 3.660 3.960 0.013 0.000 0.260 232 G C 0.277 175.196 174.900 0.032 0.000 0.977 232 G CA 0.240 45.349 45.100 0.014 0.000 0.641 232 G HN 0.611 nan 8.290 nan 0.000 0.533 233 Q N -0.500 119.332 119.800 0.053 0.000 2.182 233 Q HA 0.395 4.743 4.340 0.013 0.000 0.305 233 Q C 0.972 177.049 176.000 0.127 0.000 0.880 233 Q CA -0.173 55.676 55.803 0.077 0.000 1.131 233 Q CB 0.574 29.356 28.738 0.073 0.000 1.237 233 Q HN 0.452 nan 8.270 nan 0.000 0.447 234 E N 0.238 120.517 120.200 0.133 0.000 2.347 234 E HA -0.015 4.343 4.350 0.013 0.000 0.196 234 E C 0.048 176.846 176.600 0.330 0.000 1.008 234 E CA 0.303 56.831 56.400 0.214 0.000 0.852 234 E CB 0.343 30.151 29.700 0.180 0.000 0.783 234 E HN 0.095 nan 8.360 nan 0.000 0.505 235 S N 0.623 116.436 115.700 0.188 0.000 2.572 235 S HA 0.134 4.612 4.470 0.013 0.000 0.279 235 S C -0.259 174.477 174.600 0.227 0.000 1.341 235 S CA -0.511 57.743 58.200 0.090 0.000 1.043 235 S CB 0.283 63.472 63.200 -0.018 0.000 0.887 235 S HN 0.176 nan 8.310 nan 0.000 0.516 236 F N 3.035 122.955 119.950 -0.051 0.000 2.411 236 F HA 0.382 4.895 4.527 -0.023 0.000 0.350 236 F C 0.752 176.472 175.800 -0.134 0.000 1.114 236 F CA -0.632 57.282 58.000 -0.143 0.000 1.135 236 F CB 0.560 39.424 39.000 -0.227 0.000 1.120 236 F HN 0.483 nan 8.300 nan 0.000 0.495 237 N N 3.887 122.190 118.700 -0.661 0.000 2.200 237 N HA 0.175 4.923 4.740 0.013 0.000 0.224 237 N C 0.489 175.625 175.510 -0.622 0.000 1.179 237 N CA 0.119 52.891 53.050 -0.464 0.000 0.877 237 N CB 1.058 39.411 38.487 -0.224 0.000 1.072 237 N HN 0.737 nan 8.380 nan 0.000 0.519 238 G N -0.024 107.978 108.800 -1.330 0.000 2.702 238 G HA2 0.395 4.362 3.960 0.013 0.000 0.254 238 G HA3 0.395 4.362 3.960 0.013 0.000 0.254 238 G C -0.512 174.227 174.900 -0.267 0.000 1.380 238 G CA -0.293 44.338 45.100 -0.781 0.000 1.042 238 G HN 0.002 nan 8.290 nan 0.000 0.557 239 Q N -0.327 119.490 119.800 0.028 0.000 2.307 239 Q HA 0.430 4.778 4.340 0.013 0.000 0.262 239 Q C -0.618 175.542 176.000 0.267 0.000 0.961 239 Q CA -0.656 55.242 55.803 0.158 0.000 0.882 239 Q CB 2.565 31.336 28.738 0.056 0.000 1.264 239 Q HN 0.236 nan 8.270 nan 0.000 0.446 240 V N 4.997 125.051 119.914 0.233 0.000 2.585 240 V HA 0.077 4.205 4.120 0.013 0.000 0.296 240 V C -1.419 174.614 176.094 -0.101 0.000 1.035 240 V CA -0.962 61.349 62.300 0.018 0.000 1.084 240 V CB -0.219 31.610 31.823 0.011 0.000 0.953 240 V HN 0.717 nan 8.190 nan 0.000 0.483 241 P HA 0.260 nan 4.420 nan 0.000 0.272 241 P C -0.612 176.643 177.300 -0.075 0.000 1.230 241 P CA -0.397 62.605 63.100 -0.163 0.000 0.788 241 P CB 0.905 32.459 31.700 -0.244 0.000 0.949 242 R N 0.876 121.353 120.500 -0.039 0.000 2.540 242 R HA 0.458 4.806 4.340 0.013 0.000 0.287 242 R C -0.026 176.166 176.300 -0.180 0.000 0.980 242 R CA -0.575 55.466 56.100 -0.098 0.000 0.966 242 R CB 0.969 31.235 30.300 -0.056 0.000 1.106 242 R HN 0.529 nan 8.270 nan 0.000 0.480 243 D N 0.000 120.188 120.400 -0.353 0.000 6.856 243 D HA 0.000 4.648 4.640 0.013 0.000 0.175 243 D CA 0.000 53.706 54.000 -0.490 0.000 0.868 243 D CB 0.000 40.194 40.800 -1.010 0.000 0.688 243 D HN 0.000 nan 8.370 nan 0.000 0.683