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 2jbm_1_E DATA FIRST_RESID 4 DATA SEQUENCE DAEGLALLLP PVTLAALVDS WLREDCPGLN YAALVSGAGP SQAALWAKSP DATA SEQUENCE GVLAGQPFFD AIFTQLNCQV SWFLPEGSKL VPVARVAEVR GPAHCLLLGE DATA SEQUENCE RVALNTLARC SGIASAAAAA VEAARGAGWT GHVAGTRKTT PGFRLVEKYG DATA SEQUENCE LLVGGAASHR YDLGGLVMVK DNHVVAAGGV EKAVRAARQA ADFALKVEVE DATA SEQUENCE CSSLQEAVQA AEAGADLVLL DNFKPEELHP TATVLKAQFP SVAVEASGGI DATA SEQUENCE TLDNLPQFCG PHIDVISMGM LTQAAPALDF SLKLFAKEV 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.271 176.300 -0.049 0.000 2.045 4 D CA 0.000 53.975 54.000 -0.041 0.000 0.868 4 D CB 0.000 40.782 40.800 -0.029 0.000 0.688 5 A N 3.250 126.034 122.820 -0.059 0.000 1.940 5 A HA -0.181 4.139 4.320 0.000 0.000 0.219 5 A C 1.613 179.161 177.584 -0.060 0.000 1.176 5 A CA 1.677 53.665 52.037 -0.080 0.000 0.631 5 A CB -0.422 18.528 19.000 -0.084 0.000 0.814 5 A HN 0.733 nan 8.150 nan 0.000 0.446 6 E N -0.939 119.234 120.200 -0.045 0.000 2.204 6 E HA -0.075 4.275 4.350 0.000 0.000 0.194 6 E C 1.881 178.468 176.600 -0.021 0.000 0.989 6 E CA 0.644 57.021 56.400 -0.038 0.000 0.824 6 E CB -0.249 29.431 29.700 -0.035 0.000 0.756 6 E HN 0.622 nan 8.360 nan 0.000 0.477 7 G N 0.588 109.378 108.800 -0.017 0.000 2.880 7 G HA2 -0.074 3.886 3.960 0.000 0.000 0.209 7 G HA3 -0.074 3.886 3.960 0.000 0.000 0.209 7 G C 1.373 176.279 174.900 0.011 0.000 1.157 7 G CA -0.153 44.942 45.100 -0.008 0.000 0.779 7 G HN 0.053 nan 8.290 nan 0.000 0.539 8 L N 1.003 122.241 121.223 0.025 0.000 2.275 8 L HA 0.021 4.361 4.340 0.000 0.000 0.215 8 L C 3.064 180.060 176.870 0.210 0.000 1.119 8 L CA 1.474 56.363 54.840 0.082 0.000 0.790 8 L CB -1.272 40.780 42.059 -0.011 0.000 0.919 8 L HN 0.327 nan 8.230 nan 0.000 0.443 9 A N 0.083 122.997 122.820 0.158 0.000 2.019 9 A HA -0.147 4.173 4.320 0.000 0.000 0.219 9 A C 2.287 179.843 177.584 -0.048 0.000 1.164 9 A CA 0.953 53.001 52.037 0.019 0.000 0.644 9 A CB -0.510 18.449 19.000 -0.068 0.000 0.805 9 A HN 0.413 nan 8.150 nan 0.000 0.449 10 L N -0.719 120.495 121.223 -0.014 0.000 2.265 10 L HA -0.150 4.190 4.340 0.000 0.000 0.215 10 L C 2.095 178.946 176.870 -0.031 0.000 1.117 10 L CA 0.636 55.458 54.840 -0.030 0.000 0.782 10 L CB -0.608 41.439 42.059 -0.019 0.000 0.914 10 L HN 0.391 nan 8.230 nan 0.000 0.441 11 L N -0.141 121.080 121.223 -0.004 0.000 2.362 11 L HA -0.085 4.255 4.340 0.000 0.000 0.219 11 L C 0.699 177.543 176.870 -0.042 0.000 1.134 11 L CA 0.552 55.391 54.840 -0.002 0.000 0.807 11 L CB -0.168 41.929 42.059 0.065 0.000 0.927 11 L HN 0.238 nan 8.230 nan 0.000 0.447 12 L N 0.943 122.107 121.223 -0.097 0.000 2.277 12 L HA 0.356 4.697 4.340 0.000 0.000 0.284 12 L C -2.195 174.591 176.870 -0.139 0.000 1.028 12 L CA -1.975 52.772 54.840 -0.155 0.000 0.835 12 L CB 0.532 42.383 42.059 -0.348 0.000 1.215 12 L HN -0.206 nan 8.230 nan 0.000 0.425 13 P HA 0.104 nan 4.420 nan 0.000 0.268 13 P C -1.908 175.333 177.300 -0.099 0.000 1.204 13 P CA -1.097 61.952 63.100 -0.085 0.000 0.768 13 P CB 0.293 31.954 31.700 -0.065 0.000 0.842 14 P HA -0.102 nan 4.420 nan 0.000 0.219 14 P C 1.187 178.436 177.300 -0.086 0.000 1.150 14 P CA 0.946 63.990 63.100 -0.094 0.000 0.814 14 P CB 0.072 31.728 31.700 -0.073 0.000 0.787 15 V N 0.482 120.354 119.914 -0.071 0.000 2.358 15 V HA -0.178 3.942 4.120 0.000 0.000 0.246 15 V C 2.573 178.622 176.094 -0.075 0.000 1.047 15 V CA 2.481 64.742 62.300 -0.066 0.000 1.035 15 V CB -1.940 29.852 31.823 -0.052 0.000 0.658 15 V HN 0.172 nan 8.190 nan 0.000 0.452 16 T N 0.652 115.164 114.554 -0.071 0.000 2.720 16 T HA -0.156 4.194 4.350 0.000 0.000 0.268 16 T C 1.918 176.562 174.700 -0.093 0.000 1.037 16 T CA 1.531 63.591 62.100 -0.067 0.000 1.144 16 T CB -0.309 68.533 68.868 -0.044 0.000 0.864 16 T HN 0.275 nan 8.240 nan 0.000 0.444 17 L N 0.670 121.829 121.223 -0.107 0.000 2.046 17 L HA -0.110 4.230 4.340 0.000 0.000 0.208 17 L C 3.126 179.891 176.870 -0.176 0.000 1.077 17 L CA 1.352 56.113 54.840 -0.131 0.000 0.747 17 L CB -0.804 41.154 42.059 -0.169 0.000 0.896 17 L HN 0.280 nan 8.230 nan 0.000 0.432 18 A N 0.064 122.800 122.820 -0.140 0.000 1.877 18 A HA -0.190 4.130 4.320 0.000 0.000 0.216 18 A C 2.519 180.002 177.584 -0.168 0.000 1.186 18 A CA 1.842 53.798 52.037 -0.135 0.000 0.620 18 A CB -0.680 18.264 19.000 -0.094 0.000 0.822 18 A HN 0.422 nan 8.150 nan 0.000 0.443 19 A N -0.862 121.864 122.820 -0.157 0.000 1.902 19 A HA 0.006 4.326 4.320 0.000 0.000 0.217 19 A C 2.113 179.541 177.584 -0.260 0.000 1.181 19 A CA 1.706 53.648 52.037 -0.159 0.000 0.623 19 A CB -0.566 18.367 19.000 -0.111 0.000 0.818 19 A HN 0.503 nan 8.150 nan 0.000 0.443 20 L N -0.231 120.775 121.223 -0.363 0.000 1.994 20 L HA -0.100 4.240 4.340 0.000 0.000 0.208 20 L C 2.525 178.687 176.870 -1.180 0.000 1.071 20 L CA 1.753 56.181 54.840 -0.686 0.000 0.745 20 L CB -0.684 40.998 42.059 -0.629 0.000 0.892 20 L HN 0.172 nan 8.230 nan 0.000 0.431 21 V N -0.061 119.322 119.914 -0.884 0.000 2.287 21 V HA -0.335 3.785 4.120 0.000 0.000 0.248 21 V C 2.268 178.197 176.094 -0.275 0.000 1.053 21 V CA 2.035 64.000 62.300 -0.558 0.000 1.027 21 V CB -0.701 30.976 31.823 -0.244 0.000 0.646 21 V HN 0.462 nan 8.190 nan 0.000 0.447 22 D N 0.180 120.440 120.400 -0.233 0.000 2.123 22 D HA -0.141 4.499 4.640 0.000 0.000 0.196 22 D C 2.431 178.676 176.300 -0.093 0.000 0.992 22 D CA 1.807 55.731 54.000 -0.127 0.000 0.833 22 D CB -0.380 40.355 40.800 -0.108 0.000 0.954 22 D HN 0.611 nan 8.370 nan 0.000 0.455 23 S N -0.281 115.327 115.700 -0.153 0.000 2.383 23 S HA -0.155 4.315 4.470 0.000 0.000 0.227 23 S C 1.962 176.626 174.600 0.107 0.000 1.026 23 S CA 0.586 58.757 58.200 -0.048 0.000 0.981 23 S CB -0.665 62.498 63.200 -0.061 0.000 0.818 23 S HN 0.266 nan 8.310 nan 0.000 0.472 24 W N 1.710 123.010 121.300 -0.000 0.000 2.381 24 W HA 0.240 4.900 4.660 0.000 0.000 0.301 24 W C 2.222 178.719 176.519 -0.036 0.000 1.205 24 W CA -0.203 57.134 57.345 -0.014 0.000 1.285 24 W CB -1.306 28.151 29.460 -0.005 0.000 1.133 24 W HN 0.336 nan 8.180 nan 0.000 0.521 25 L N -0.166 121.160 121.223 0.171 0.000 2.093 25 L HA -0.118 4.222 4.340 0.000 0.000 0.208 25 L C 2.738 179.635 176.870 0.045 0.000 1.085 25 L CA 1.267 56.147 54.840 0.066 0.000 0.755 25 L CB -0.762 41.301 42.059 0.008 0.000 0.904 25 L HN -0.091 nan 8.230 nan 0.000 0.435 26 R N 0.495 121.021 120.500 0.044 0.000 2.075 26 R HA -0.219 4.122 4.340 0.000 0.000 0.232 26 R C 2.223 178.548 176.300 0.042 0.000 1.126 26 R CA 1.704 57.822 56.100 0.030 0.000 0.963 26 R CB -0.130 30.182 30.300 0.020 0.000 0.858 26 R HN 0.366 nan 8.270 nan 0.000 0.435 27 E N 0.066 120.306 120.200 0.068 0.000 2.085 27 E HA -0.247 4.103 4.350 0.000 0.000 0.194 27 E C 1.128 177.751 176.600 0.039 0.000 0.994 27 E CA 1.877 58.312 56.400 0.058 0.000 0.801 27 E CB -0.097 29.652 29.700 0.082 0.000 0.743 27 E HN 0.282 nan 8.360 nan 0.000 0.453 28 D N -1.116 119.308 120.400 0.039 0.000 2.323 28 D HA -0.023 4.617 4.640 0.000 0.000 0.209 28 D C -0.599 175.717 176.300 0.026 0.000 0.973 28 D CA 0.284 54.298 54.000 0.024 0.000 0.874 28 D CB 0.366 41.174 40.800 0.014 0.000 0.930 28 D HN 0.073 nan 8.370 nan 0.000 0.521 29 C N 1.317 120.632 119.300 0.024 0.000 3.452 29 C HA 0.363 4.823 4.460 0.000 0.000 0.251 29 C C -1.794 173.202 174.990 0.011 0.000 1.160 29 C CA -1.108 57.922 59.018 0.019 0.000 1.328 29 C CB 0.434 28.178 27.740 0.008 0.000 1.819 29 C HN 0.126 nan 8.230 nan 0.000 0.543 30 P HA 0.162 nan 4.420 nan 0.000 0.229 30 P C 0.861 178.162 177.300 0.001 0.000 1.160 30 P CA 1.284 64.392 63.100 0.014 0.000 0.777 30 P CB 0.559 32.272 31.700 0.023 0.000 0.814 31 G N -0.406 108.389 108.800 -0.009 0.000 3.382 31 G HA2 0.461 4.422 3.960 0.000 0.000 0.183 31 G HA3 0.461 4.422 3.960 0.000 0.000 0.183 31 G C -0.905 173.929 174.900 -0.111 0.000 1.246 31 G CA -0.519 44.558 45.100 -0.038 0.000 0.828 31 G HN 0.034 nan 8.290 nan 0.000 0.728 32 L N 1.441 122.525 121.223 -0.232 0.000 2.397 32 L HA 0.309 4.649 4.340 0.000 0.000 0.271 32 L C -0.156 176.411 176.870 -0.505 0.000 1.148 32 L CA -0.566 54.003 54.840 -0.451 0.000 0.825 32 L CB 1.029 42.624 42.059 -0.774 0.000 1.117 32 L HN 0.401 nan 8.230 nan 0.000 0.456 33 N N 1.536 120.044 118.700 -0.320 0.000 3.105 33 N HA 0.112 4.852 4.740 0.000 0.000 0.256 33 N C 0.556 175.992 175.510 -0.123 0.000 1.174 33 N CA -0.171 52.789 53.050 -0.150 0.000 1.030 33 N CB 0.102 38.570 38.487 -0.031 0.000 1.305 33 N HN 0.374 nan 8.380 nan 0.000 0.509 34 Y N 1.314 121.628 120.300 0.023 0.000 2.151 34 Y HA -0.240 4.310 4.550 0.000 0.000 0.284 34 Y C 2.285 178.198 175.900 0.022 0.000 1.166 34 Y CA 1.603 59.714 58.100 0.018 0.000 1.163 34 Y CB -0.408 38.060 38.460 0.014 0.000 0.974 34 Y HN 0.572 nan 8.280 nan 0.000 0.511 35 A N 0.282 123.212 122.820 0.184 0.000 2.125 35 A HA -0.100 4.220 4.320 0.000 0.000 0.219 35 A C 2.394 180.035 177.584 0.094 0.000 1.156 35 A CA 1.362 53.472 52.037 0.121 0.000 0.671 35 A CB -1.089 17.974 19.000 0.106 0.000 0.794 35 A HN 0.453 nan 8.150 nan 0.000 0.459 36 A N -0.064 122.808 122.820 0.086 0.000 1.972 36 A HA -0.054 4.266 4.320 0.000 0.000 0.219 36 A C 2.010 179.607 177.584 0.021 0.000 1.169 36 A CA 1.408 53.495 52.037 0.084 0.000 0.635 36 A CB -0.506 18.538 19.000 0.073 0.000 0.810 36 A HN 0.511 nan 8.150 nan 0.000 0.446 37 L N -0.628 120.608 121.223 0.022 0.000 2.291 37 L HA -0.102 4.238 4.340 0.000 0.000 0.214 37 L C 2.259 179.141 176.870 0.020 0.000 1.120 37 L CA 0.535 55.380 54.840 0.008 0.000 0.799 37 L CB -0.412 41.664 42.059 0.028 0.000 0.925 37 L HN 0.249 nan 8.230 nan 0.000 0.446 38 V N -0.608 119.330 119.914 0.041 0.000 2.407 38 V HA -0.174 3.946 4.120 0.000 0.000 0.245 38 V C 2.548 178.663 176.094 0.036 0.000 1.041 38 V CA 1.886 64.209 62.300 0.039 0.000 1.040 38 V CB -0.141 31.712 31.823 0.049 0.000 0.671 38 V HN 0.579 nan 8.190 nan 0.000 0.455 39 S N -0.601 115.128 115.700 0.047 0.000 2.439 39 S HA 0.338 4.808 4.470 0.000 0.000 0.224 39 S C 1.343 175.966 174.600 0.038 0.000 1.029 39 S CA 0.640 58.870 58.200 0.050 0.000 0.946 39 S CB 0.134 63.380 63.200 0.076 0.000 0.797 39 S HN 1.192 nan 8.310 nan 0.000 0.504 40 G N 1.178 109.986 108.800 0.014 0.000 2.750 40 G HA2 0.109 4.069 3.960 0.000 0.000 0.228 40 G HA3 0.109 4.069 3.960 0.000 0.000 0.228 40 G C 0.403 175.307 174.900 0.007 0.000 1.367 40 G CA -0.163 44.919 45.100 -0.030 0.000 0.871 40 G HN 1.401 nan 8.290 nan 0.000 0.560 41 A N -0.029 122.783 122.820 -0.012 0.000 2.470 41 A HA 0.705 5.025 4.320 0.000 0.000 0.251 41 A C 1.512 179.150 177.584 0.090 0.000 1.245 41 A CA 1.394 53.493 52.037 0.102 0.000 0.932 41 A CB -0.246 18.750 19.000 -0.007 0.000 1.037 41 A HN 2.385 nan 8.150 nan 0.000 0.522 42 G N 1.322 110.149 108.800 0.044 0.000 2.353 42 G HA2 0.386 4.346 3.960 0.000 0.000 0.239 42 G HA3 0.386 4.346 3.960 0.000 0.000 0.239 42 G C -2.753 172.154 174.900 0.011 0.000 1.295 42 G CA -0.566 44.546 45.100 0.020 0.000 0.884 42 G HN 0.157 nan 8.290 nan 0.000 0.537 43 P HA 0.137 nan 4.420 nan 0.000 0.263 43 P C -0.249 177.016 177.300 -0.059 0.000 1.195 43 P CA 0.373 63.457 63.100 -0.028 0.000 0.762 43 P CB 0.953 32.637 31.700 -0.027 0.000 0.799 44 S N 2.381 118.026 115.700 -0.091 0.000 2.632 44 S HA 0.596 5.066 4.470 0.000 0.000 0.289 44 S C -0.883 173.581 174.600 -0.226 0.000 1.115 44 S CA -0.726 57.386 58.200 -0.147 0.000 0.889 44 S CB 1.619 64.749 63.200 -0.118 0.000 1.116 44 S HN 0.300 nan 8.310 nan 0.000 0.486 45 Q N 0.431 120.006 119.800 -0.376 0.000 2.375 45 Q HA 0.814 5.154 4.340 0.000 0.000 0.271 45 Q C -1.180 174.437 176.000 -0.638 0.000 1.074 45 Q CA -0.569 54.927 55.803 -0.511 0.000 0.808 45 Q CB 2.165 30.494 28.738 -0.682 0.000 1.327 45 Q HN 0.784 nan 8.270 nan 0.000 0.441 46 A N 0.941 123.556 122.820 -0.342 0.000 2.393 46 A HA 0.890 5.210 4.320 0.000 0.000 0.306 46 A C -1.218 176.427 177.584 0.100 0.000 1.050 46 A CA -0.648 51.333 52.037 -0.092 0.000 0.724 46 A CB 1.375 20.330 19.000 -0.075 0.000 1.248 46 A HN 0.726 nan 8.150 nan 0.000 0.424 47 A N 1.348 124.363 122.820 0.325 0.000 2.301 47 A HA 0.615 4.935 4.320 0.000 0.000 0.298 47 A C -0.525 176.985 177.584 -0.124 0.000 1.185 47 A CA -0.380 51.681 52.037 0.041 0.000 0.830 47 A CB 0.367 19.324 19.000 -0.072 0.000 1.112 47 A HN 1.529 nan 8.150 nan 0.000 0.508 48 L N 2.727 123.781 121.223 -0.282 0.000 2.265 48 L HA 0.647 4.987 4.340 0.000 0.000 0.288 48 L C -1.278 175.471 176.870 -0.201 0.000 1.058 48 L CA -0.172 54.579 54.840 -0.147 0.000 0.809 48 L CB 0.190 42.095 42.059 -0.257 0.000 1.179 48 L HN 0.675 nan 8.230 nan 0.000 0.429 49 W N 4.590 126.011 121.300 0.201 0.000 2.529 49 W HA 0.734 5.394 4.660 0.000 0.000 0.321 49 W C -0.222 176.465 176.519 0.280 0.000 1.047 49 W CA -0.844 56.619 57.345 0.197 0.000 1.216 49 W CB 1.815 31.356 29.460 0.135 0.000 1.357 49 W HN 0.705 nan 8.180 nan 0.000 0.489 50 A N 3.198 126.283 122.820 0.442 0.000 2.252 50 A HA 0.440 4.760 4.320 0.000 0.000 0.309 50 A C 0.360 177.984 177.584 0.066 0.000 1.285 50 A CA -0.563 51.564 52.037 0.149 0.000 0.900 50 A CB 0.586 19.680 19.000 0.158 0.000 1.157 50 A HN 0.850 nan 8.150 nan 0.000 0.536 51 K N 1.039 121.394 120.400 -0.075 0.000 2.358 51 K HA 0.205 4.525 4.320 0.000 0.000 0.200 51 K C -0.126 176.421 176.600 -0.089 0.000 1.030 51 K CA 0.298 56.560 56.287 -0.041 0.000 1.097 51 K CB 0.682 33.169 32.500 -0.021 0.000 0.862 51 K HN 0.558 nan 8.250 nan 0.000 0.534 52 S N 1.730 117.330 115.700 -0.167 0.000 2.536 52 S HA 0.449 4.919 4.470 0.000 0.000 0.298 52 S C -2.643 171.900 174.600 -0.095 0.000 1.083 52 S CA -1.393 56.728 58.200 -0.132 0.000 0.995 52 S CB 1.904 64.997 63.200 -0.177 0.000 1.058 52 S HN -0.023 nan 8.310 nan 0.000 0.488 53 P HA 0.635 nan 4.420 nan 0.000 0.276 53 P C 0.297 177.586 177.300 -0.018 0.000 1.252 53 P CA 0.053 63.141 63.100 -0.021 0.000 0.802 53 P CB 0.860 32.555 31.700 -0.007 0.000 1.035 54 G N -0.850 107.954 108.800 0.005 0.000 2.291 54 G HA2 0.176 4.136 3.960 0.000 0.000 0.249 54 G HA3 0.176 4.136 3.960 0.000 0.000 0.249 54 G C -1.847 173.076 174.900 0.039 0.000 1.340 54 G CA -0.484 44.627 45.100 0.019 0.000 1.017 54 G HN 0.465 nan 8.290 nan 0.000 0.470 55 V N 0.800 120.747 119.914 0.055 0.000 2.540 55 V HA 0.620 4.740 4.120 0.000 0.000 0.302 55 V C -0.092 176.064 176.094 0.103 0.000 1.035 55 V CA -0.652 61.684 62.300 0.059 0.000 0.873 55 V CB 1.473 33.315 31.823 0.032 0.000 0.992 55 V HN 0.918 nan 8.190 nan 0.000 0.428 56 L N 5.130 126.416 121.223 0.105 0.000 2.361 56 L HA 0.710 5.050 4.340 0.000 0.000 0.278 56 L C 0.222 177.121 176.870 0.049 0.000 1.113 56 L CA 0.606 55.525 54.840 0.131 0.000 0.849 56 L CB 0.395 42.511 42.059 0.096 0.000 1.155 56 L HN 0.855 nan 8.230 nan 0.000 0.452 57 A N 3.381 126.250 122.820 0.082 0.000 2.488 57 A HA 0.719 5.039 4.320 0.000 0.000 0.298 57 A C 0.321 178.007 177.584 0.170 0.000 1.044 57 A CA 0.114 52.205 52.037 0.091 0.000 0.693 57 A CB 1.453 20.500 19.000 0.080 0.000 1.272 57 A HN 1.519 nan 8.150 nan 0.000 0.402 58 G N 0.538 109.513 108.800 0.291 0.000 2.198 58 G HA2 -0.176 3.784 3.960 0.000 0.000 0.156 58 G HA3 -0.176 3.784 3.960 0.000 0.000 0.156 58 G C 0.682 175.719 174.900 0.228 0.000 1.012 58 G CA 0.483 45.818 45.100 0.392 0.000 0.692 58 G HN 0.720 nan 8.290 nan 0.000 0.492 59 Q N 0.174 119.910 119.800 -0.106 0.000 2.096 59 Q HA -0.139 4.202 4.340 0.000 0.000 0.208 59 Q C -0.354 175.644 176.000 -0.004 0.000 0.993 59 Q CA 2.184 57.780 55.803 -0.344 0.000 0.862 59 Q CB -0.551 27.556 28.738 -1.052 0.000 0.915 59 Q HN 0.512 nan 8.270 nan 0.000 0.416 60 P HA -0.154 nan 4.420 nan 0.000 0.218 60 P C 0.662 177.817 177.300 -0.241 0.000 1.149 60 P CA 1.280 64.206 63.100 -0.290 0.000 0.817 60 P CB -0.126 31.187 31.700 -0.645 0.000 0.785 61 F N -2.243 117.734 119.950 0.044 0.000 2.149 61 F HA -0.013 4.514 4.527 0.000 0.000 0.294 61 F C 2.313 178.267 175.800 0.256 0.000 1.095 61 F CA 0.728 58.821 58.000 0.155 0.000 1.276 61 F CB -1.273 37.862 39.000 0.226 0.000 1.023 61 F HN -0.192 nan 8.300 nan 0.000 0.480 62 F N 1.638 121.806 119.950 0.363 0.000 2.091 62 F HA -0.292 4.236 4.527 0.000 0.000 0.299 62 F C 2.124 178.139 175.800 0.358 0.000 1.103 62 F CA 1.898 60.113 58.000 0.357 0.000 1.228 62 F CB -0.396 38.896 39.000 0.486 0.000 0.984 62 F HN -0.102 nan 8.300 nan 0.000 0.477 63 D N 0.252 121.014 120.400 0.603 0.000 2.117 63 D HA -0.172 4.468 4.640 0.000 0.000 0.197 63 D C 2.329 178.751 176.300 0.204 0.000 0.987 63 D CA 1.518 55.770 54.000 0.419 0.000 0.829 63 D CB -0.740 40.267 40.800 0.344 0.000 0.961 63 D HN 0.383 nan 8.370 nan 0.000 0.460 64 A N 0.368 123.261 122.820 0.121 0.000 1.930 64 A HA -0.109 4.211 4.320 0.000 0.000 0.217 64 A C 2.348 179.932 177.584 0.000 0.000 1.175 64 A CA 0.757 52.813 52.037 0.032 0.000 0.627 64 A CB -0.656 18.332 19.000 -0.019 0.000 0.815 64 A HN 0.181 nan 8.150 nan 0.000 0.443 65 I N -1.744 118.814 120.570 -0.021 0.000 2.127 65 I HA -0.276 3.894 4.170 0.000 0.000 0.241 65 I C 2.258 178.213 176.117 -0.271 0.000 1.075 65 I CA 1.667 62.855 61.300 -0.186 0.000 1.334 65 I CB -0.361 37.433 38.000 -0.343 0.000 1.040 65 I HN 0.357 nan 8.210 nan 0.000 0.405 66 F N 0.131 120.020 119.950 -0.102 0.000 2.259 66 F HA -0.167 4.360 4.527 0.000 0.000 0.298 66 F C 2.639 178.398 175.800 -0.069 0.000 1.088 66 F CA 1.193 59.123 58.000 -0.117 0.000 1.358 66 F CB -0.587 38.317 39.000 -0.160 0.000 1.040 66 F HN -0.025 nan 8.300 nan 0.000 0.505 67 T N -0.696 113.927 114.554 0.115 0.000 2.746 67 T HA -0.199 4.151 4.350 0.000 0.000 0.267 67 T C 1.918 176.627 174.700 0.015 0.000 1.039 67 T CA 1.127 63.262 62.100 0.057 0.000 1.142 67 T CB -0.223 68.671 68.868 0.042 0.000 0.866 67 T HN 0.137 nan 8.240 nan 0.000 0.444 68 Q N 0.498 120.289 119.800 -0.014 0.000 2.291 68 Q HA 0.075 4.415 4.340 0.000 0.000 0.206 68 Q C 1.729 177.710 176.000 -0.032 0.000 0.976 68 Q CA 0.882 56.663 55.803 -0.035 0.000 0.875 68 Q CB -0.300 28.402 28.738 -0.060 0.000 0.927 68 Q HN 0.506 nan 8.270 nan 0.000 0.450 69 L N 0.447 121.657 121.223 -0.021 0.000 2.769 69 L HA 0.155 4.495 4.340 0.000 0.000 0.240 69 L C -0.237 176.629 176.870 -0.007 0.000 1.163 69 L CA -0.279 54.547 54.840 -0.023 0.000 0.962 69 L CB 0.071 42.114 42.059 -0.027 0.000 1.258 69 L HN 0.109 nan 8.230 nan 0.000 0.513 70 N N -0.336 118.368 118.700 0.007 0.000 2.735 70 N HA -0.168 4.572 4.740 0.000 0.000 0.248 70 N C -0.446 175.066 175.510 0.003 0.000 1.083 70 N CA 0.639 53.691 53.050 0.003 0.000 0.703 70 N CB -1.802 36.680 38.487 -0.008 0.000 1.005 70 N HN 0.299 nan 8.380 nan 0.000 0.550 71 C N 0.225 119.547 119.300 0.036 0.000 2.562 71 C HA 0.576 5.036 4.460 0.000 0.000 0.332 71 C C 0.519 175.504 174.990 -0.008 0.000 1.201 71 C CA -0.698 58.318 59.018 -0.005 0.000 1.803 71 C CB 2.058 29.795 27.740 -0.005 0.000 2.328 71 C HN 0.270 nan 8.230 nan 0.000 0.500 72 Q N 0.582 120.333 119.800 -0.081 0.000 2.345 72 Q HA 0.755 5.095 4.340 0.000 0.000 0.268 72 Q C -1.144 174.767 176.000 -0.148 0.000 1.054 72 Q CA -0.398 55.365 55.803 -0.067 0.000 0.835 72 Q CB 1.790 30.496 28.738 -0.053 0.000 1.339 72 Q HN 0.529 nan 8.270 nan 0.000 0.447 73 V N 1.273 121.116 119.914 -0.119 0.000 2.487 73 V HA 0.591 4.711 4.120 0.000 0.000 0.298 73 V C -0.735 175.166 176.094 -0.322 0.000 1.028 73 V CA -0.741 61.387 62.300 -0.286 0.000 0.860 73 V CB 2.000 33.686 31.823 -0.230 0.000 0.991 73 V HN 0.755 nan 8.190 nan 0.000 0.427 74 S N 3.812 119.237 115.700 -0.459 0.000 2.474 74 S HA 0.512 4.982 4.470 0.000 0.000 0.321 74 S C -0.982 173.189 174.600 -0.716 0.000 1.080 74 S CA -0.553 57.437 58.200 -0.350 0.000 1.106 74 S CB 0.593 63.715 63.200 -0.130 0.000 0.984 74 S HN 0.630 nan 8.310 nan 0.000 0.464 75 W N 2.594 123.718 121.300 -0.294 0.000 2.365 75 W HA 0.428 5.088 4.660 0.000 0.000 0.316 75 W C 0.190 176.602 176.519 -0.178 0.000 1.164 75 W CA -0.821 56.311 57.345 -0.354 0.000 1.204 75 W CB 0.279 29.633 29.460 -0.177 0.000 1.213 75 W HN 0.645 nan 8.180 nan 0.000 0.539 76 F N 1.698 121.745 119.950 0.162 0.000 2.721 76 F HA 0.355 4.882 4.527 0.000 0.000 0.301 76 F C 0.306 176.165 175.800 0.098 0.000 1.096 76 F CA -0.445 57.603 58.000 0.080 0.000 1.308 76 F CB -0.532 38.469 39.000 0.001 0.000 1.086 76 F HN -0.051 nan 8.300 nan 0.000 0.587 77 L N 1.693 123.082 121.223 0.278 0.000 2.408 77 L HA 0.461 4.801 4.340 0.000 0.000 0.268 77 L C -2.433 174.493 176.870 0.093 0.000 0.986 77 L CA -2.124 52.817 54.840 0.170 0.000 0.820 77 L CB 2.603 44.755 42.059 0.155 0.000 1.303 77 L HN -0.307 nan 8.230 nan 0.000 0.411 78 P HA 0.050 nan 4.420 nan 0.000 0.272 78 P C -0.708 176.530 177.300 -0.104 0.000 1.230 78 P CA -0.394 62.682 63.100 -0.040 0.000 0.788 78 P CB 0.732 32.423 31.700 -0.015 0.000 0.949 79 E N 0.497 120.593 120.200 -0.174 0.000 2.452 79 E HA 0.263 4.613 4.350 0.000 0.000 0.261 79 E C 1.301 177.847 176.600 -0.091 0.000 0.987 79 E CA 1.495 57.792 56.400 -0.172 0.000 0.926 79 E CB -0.746 28.860 29.700 -0.156 0.000 0.934 79 E HN 0.769 nan 8.360 nan 0.000 0.452 80 G N 2.946 111.703 108.800 -0.071 0.000 2.176 80 G HA2 -0.281 3.679 3.960 0.000 0.000 0.253 80 G HA3 -0.281 3.679 3.960 0.000 0.000 0.253 80 G C 0.268 175.158 174.900 -0.016 0.000 0.979 80 G CA 0.241 45.313 45.100 -0.046 0.000 0.641 80 G HN 0.596 nan 8.290 nan 0.000 0.530 81 S N 0.366 116.063 115.700 -0.005 0.000 2.560 81 S HA 0.348 4.818 4.470 0.000 0.000 0.284 81 S C 0.652 175.275 174.600 0.038 0.000 1.327 81 S CA 0.230 58.443 58.200 0.022 0.000 1.055 81 S CB 1.247 64.472 63.200 0.041 0.000 0.868 81 S HN 0.626 nan 8.310 nan 0.000 0.506 82 K N 2.700 123.121 120.400 0.036 0.000 2.412 82 K HA 0.146 4.466 4.320 0.000 0.000 0.281 82 K C -0.963 175.672 176.600 0.058 0.000 1.027 82 K CA -0.012 56.300 56.287 0.041 0.000 0.989 82 K CB 0.132 32.651 32.500 0.031 0.000 0.935 82 K HN 0.479 nan 8.250 nan 0.000 0.475 83 L N 4.976 126.236 121.223 0.061 0.000 2.264 83 L HA 0.327 4.667 4.340 0.000 0.000 0.289 83 L C -0.829 176.070 176.870 0.049 0.000 1.044 83 L CA -1.048 53.834 54.840 0.071 0.000 0.807 83 L CB 1.687 43.789 42.059 0.071 0.000 1.192 83 L HN 0.371 nan 8.230 nan 0.000 0.425 84 V N 4.902 124.852 119.914 0.060 0.000 2.304 84 V HA 0.323 4.443 4.120 0.000 0.000 0.278 84 V C -1.898 174.233 176.094 0.062 0.000 1.018 84 V CA -1.460 60.869 62.300 0.049 0.000 0.814 84 V CB 1.202 33.053 31.823 0.047 0.000 1.021 84 V HN 0.608 nan 8.190 nan 0.000 0.440 85 P HA 0.250 nan 4.420 nan 0.000 0.274 85 P C -0.529 176.806 177.300 0.059 0.000 1.237 85 P CA -0.151 62.984 63.100 0.058 0.000 0.793 85 P CB 1.316 33.026 31.700 0.016 0.000 0.977 86 V N 1.503 121.462 119.914 0.076 0.000 2.406 86 V HA 0.479 4.600 4.120 0.000 0.000 0.272 86 V C 0.616 176.878 176.094 0.281 0.000 1.043 86 V CA -0.389 61.992 62.300 0.136 0.000 0.915 86 V CB 0.390 32.238 31.823 0.040 0.000 0.988 86 V HN 0.762 nan 8.190 nan 0.000 0.466 87 A N 5.410 128.431 122.820 0.335 0.000 2.318 87 A HA 0.650 4.970 4.320 0.000 0.000 0.324 87 A C 0.079 177.839 177.584 0.294 0.000 1.170 87 A CA -0.811 51.403 52.037 0.295 0.000 0.810 87 A CB 0.686 19.802 19.000 0.194 0.000 1.198 87 A HN 0.810 nan 8.150 nan 0.000 0.484 88 R N 3.044 123.592 120.500 0.080 0.000 2.288 88 R HA 0.317 4.657 4.340 0.000 0.000 0.330 88 R C -0.084 176.225 176.300 0.015 0.000 1.069 88 R CA -0.128 55.772 56.100 -0.333 0.000 0.941 88 R CB 0.354 30.385 30.300 -0.448 0.000 0.998 88 R HN 0.533 nan 8.270 nan 0.000 0.452 89 V N 3.549 123.433 119.914 -0.049 0.000 2.685 89 V HA 0.239 4.359 4.120 0.000 0.000 0.244 89 V C 0.625 176.555 176.094 -0.273 0.000 1.054 89 V CA 1.361 63.677 62.300 0.027 0.000 1.076 89 V CB 0.106 31.992 31.823 0.105 0.000 0.725 89 V HN 0.884 nan 8.190 nan 0.000 0.467 90 A N -0.580 121.834 122.820 -0.675 0.000 2.566 90 A HA 0.659 4.979 4.320 0.000 0.000 0.290 90 A C -1.267 175.730 177.584 -0.978 0.000 1.071 90 A CA -0.500 50.736 52.037 -1.336 0.000 0.658 90 A CB 1.423 19.552 19.000 -1.453 0.000 1.285 90 A HN 0.149 nan 8.150 nan 0.000 0.427 91 E N 0.360 120.006 120.200 -0.923 0.000 2.199 91 E HA 0.632 4.982 4.350 0.000 0.000 0.269 91 E C -1.531 174.820 176.600 -0.415 0.000 0.899 91 E CA -0.596 55.586 56.400 -0.363 0.000 0.772 91 E CB 1.842 31.535 29.700 -0.013 0.000 1.155 91 E HN 0.509 nan 8.360 nan 0.000 0.408 92 V N 4.505 124.210 119.914 -0.347 0.000 2.459 92 V HA 0.536 4.656 4.120 0.000 0.000 0.295 92 V C -0.162 175.729 176.094 -0.339 0.000 1.029 92 V CA -0.707 61.332 62.300 -0.435 0.000 0.874 92 V CB 1.518 32.928 31.823 -0.689 0.000 0.985 92 V HN 0.672 nan 8.190 nan 0.000 0.438 93 R N 2.296 122.620 120.500 -0.292 0.000 2.621 93 R HA 0.832 5.172 4.340 0.000 0.000 0.292 93 R C -0.015 176.178 176.300 -0.179 0.000 0.969 93 R CA -0.419 55.556 56.100 -0.209 0.000 0.887 93 R CB 2.337 32.552 30.300 -0.143 0.000 1.180 93 R HN 1.051 nan 8.270 nan 0.000 0.450 94 G N 2.424 111.136 108.800 -0.146 0.000 2.313 94 G HA2 0.183 4.143 3.960 0.000 0.000 0.296 94 G HA3 0.183 4.143 3.960 0.000 0.000 0.296 94 G C -3.171 171.683 174.900 -0.075 0.000 1.356 94 G CA -1.010 44.030 45.100 -0.100 0.000 0.833 94 G HN 0.236 nan 8.290 nan 0.000 0.552 95 P HA 0.323 nan 4.420 nan 0.000 0.265 95 P C 0.961 178.259 177.300 -0.004 0.000 1.193 95 P CA 0.767 63.875 63.100 0.013 0.000 0.765 95 P CB 1.193 32.926 31.700 0.056 0.000 0.823 96 A N 4.359 127.219 122.820 0.066 0.000 1.908 96 A HA -0.249 4.071 4.320 0.000 0.000 0.218 96 A C 1.948 179.576 177.584 0.073 0.000 1.181 96 A CA 1.860 53.925 52.037 0.047 0.000 0.627 96 A CB -1.632 17.401 19.000 0.055 0.000 0.818 96 A HN 0.774 nan 8.150 nan 0.000 0.445 97 H N -1.036 118.040 119.070 0.010 0.000 2.423 97 H HA -0.105 4.451 4.556 0.000 0.000 0.297 97 H C 2.108 177.455 175.328 0.032 0.000 1.075 97 H CA 1.660 57.720 56.048 0.019 0.000 1.342 97 H CB -1.252 28.516 29.762 0.010 0.000 1.395 97 H HN 0.425 nan 8.280 nan 0.000 0.530 98 C N 1.223 120.173 119.300 -0.584 0.000 2.446 98 C HA 0.014 4.474 4.460 0.000 0.000 0.277 98 C C 3.303 178.272 174.990 -0.036 0.000 1.275 98 C CA 0.399 59.209 59.018 -0.347 0.000 1.727 98 C CB -1.056 26.484 27.740 -0.333 0.000 2.010 98 C HN 0.453 nan 8.230 nan 0.000 0.486 99 L N 0.461 121.681 121.223 -0.004 0.000 2.012 99 L HA -0.185 4.155 4.340 0.000 0.000 0.210 99 L C 2.472 179.445 176.870 0.171 0.000 1.073 99 L CA 1.579 56.479 54.840 0.099 0.000 0.748 99 L CB -0.583 41.447 42.059 -0.049 0.000 0.891 99 L HN 0.409 nan 8.230 nan 0.000 0.431 100 L N -1.082 120.191 121.223 0.083 0.000 2.240 100 L HA -0.154 4.186 4.340 0.000 0.000 0.211 100 L C 2.433 179.343 176.870 0.067 0.000 1.106 100 L CA 0.156 55.048 54.840 0.087 0.000 0.793 100 L CB -0.305 41.800 42.059 0.077 0.000 0.927 100 L HN 0.259 nan 8.230 nan 0.000 0.446 101 L N 0.484 121.729 121.223 0.038 0.000 2.056 101 L HA -0.018 4.322 4.340 0.000 0.000 0.207 101 L C 2.251 179.095 176.870 -0.044 0.000 1.078 101 L CA 2.029 56.870 54.840 0.002 0.000 0.749 101 L CB -0.945 41.100 42.059 -0.024 0.000 0.901 101 L HN 0.089 nan 8.230 nan 0.000 0.433 102 G N -1.462 107.297 108.800 -0.070 0.000 2.464 102 G HA2 -0.198 3.762 3.960 0.000 0.000 0.217 102 G HA3 -0.198 3.762 3.960 0.000 0.000 0.217 102 G C 1.369 176.097 174.900 -0.287 0.000 1.138 102 G CA 0.528 45.412 45.100 -0.359 0.000 0.793 102 G HN 0.528 nan 8.290 nan 0.000 0.539 103 E N 0.471 120.698 120.200 0.044 0.000 2.055 103 E HA -0.329 4.021 4.350 0.000 0.000 0.209 103 E C 2.449 179.081 176.600 0.054 0.000 1.036 103 E CA 1.713 58.198 56.400 0.142 0.000 0.849 103 E CB -0.110 29.682 29.700 0.154 0.000 0.767 103 E HN 0.299 nan 8.360 nan 0.000 0.461 104 R N 0.081 120.595 120.500 0.023 0.000 2.066 104 R HA -0.086 4.254 4.340 0.000 0.000 0.232 104 R C 2.341 178.624 176.300 -0.028 0.000 1.131 104 R CA 1.546 57.657 56.100 0.018 0.000 0.955 104 R CB -0.683 29.624 30.300 0.012 0.000 0.851 104 R HN 0.170 nan 8.270 nan 0.000 0.432 105 V N 0.905 120.774 119.914 -0.075 0.000 2.287 105 V HA -0.247 3.873 4.120 0.000 0.000 0.248 105 V C 2.355 178.380 176.094 -0.115 0.000 1.053 105 V CA 2.053 64.290 62.300 -0.105 0.000 1.027 105 V CB -0.969 30.819 31.823 -0.057 0.000 0.646 105 V HN 0.564 nan 8.190 nan 0.000 0.447 106 A N -0.368 122.341 122.820 -0.186 0.000 1.902 106 A HA -0.152 4.168 4.320 0.000 0.000 0.217 106 A C 2.208 179.856 177.584 0.106 0.000 1.181 106 A CA 1.825 53.740 52.037 -0.202 0.000 0.623 106 A CB -0.536 18.024 19.000 -0.732 0.000 0.818 106 A HN 0.506 nan 8.150 nan 0.000 0.443 107 L N -0.310 121.000 121.223 0.145 0.000 2.056 107 L HA -0.191 4.149 4.340 0.000 0.000 0.207 107 L C 2.268 179.238 176.870 0.167 0.000 1.078 107 L CA 1.155 56.135 54.840 0.233 0.000 0.749 107 L CB -0.681 41.523 42.059 0.240 0.000 0.901 107 L HN 0.354 nan 8.230 nan 0.000 0.433 108 N N -0.511 118.224 118.700 0.059 0.000 2.166 108 N HA -0.139 4.601 4.740 0.000 0.000 0.186 108 N C 1.840 177.344 175.510 -0.010 0.000 1.019 108 N CA 1.817 54.860 53.050 -0.013 0.000 0.856 108 N CB -0.513 37.893 38.487 -0.136 0.000 0.993 108 N HN 0.283 nan 8.380 nan 0.000 0.426 109 T N 1.397 115.942 114.554 -0.014 0.000 2.770 109 T HA -0.040 4.310 4.350 0.000 0.000 0.263 109 T C 2.007 176.801 174.700 0.157 0.000 1.039 109 T CA 0.451 62.579 62.100 0.047 0.000 1.142 109 T CB -0.352 68.502 68.868 -0.022 0.000 0.868 109 T HN 0.052 nan 8.240 nan 0.000 0.435 110 L N 1.265 122.604 121.223 0.193 0.000 2.083 110 L HA 0.085 4.425 4.340 0.000 0.000 0.209 110 L C 2.623 179.618 176.870 0.209 0.000 1.083 110 L CA 1.635 56.553 54.840 0.130 0.000 0.752 110 L CB -0.846 41.164 42.059 -0.082 0.000 0.899 110 L HN 0.236 nan 8.230 nan 0.000 0.433 111 A N -0.526 122.483 122.820 0.315 0.000 1.902 111 A HA -0.234 4.086 4.320 0.000 0.000 0.217 111 A C 2.433 180.187 177.584 0.283 0.000 1.181 111 A CA 1.957 54.270 52.037 0.459 0.000 0.623 111 A CB -0.495 18.716 19.000 0.352 0.000 0.818 111 A HN 0.473 nan 8.150 nan 0.000 0.443 112 R N -1.621 119.004 120.500 0.208 0.000 2.073 112 R HA -0.069 4.271 4.340 0.000 0.000 0.229 112 R C 2.370 178.784 176.300 0.190 0.000 1.120 112 R CA 1.206 57.419 56.100 0.189 0.000 0.967 112 R CB -0.820 29.615 30.300 0.224 0.000 0.862 112 R HN 0.634 nan 8.270 nan 0.000 0.436 113 C N 0.314 119.723 119.300 0.182 0.000 2.413 113 C HA -0.113 4.347 4.460 0.000 0.000 0.276 113 C C 2.685 177.770 174.990 0.158 0.000 1.236 113 C CA 1.448 60.550 59.018 0.140 0.000 1.735 113 C CB -0.753 27.082 27.740 0.157 0.000 2.031 113 C HN 0.468 nan 8.230 nan 0.000 0.474 114 S N 0.215 116.042 115.700 0.212 0.000 2.382 114 S HA -0.029 4.441 4.470 0.000 0.000 0.228 114 S C 1.972 176.666 174.600 0.157 0.000 1.027 114 S CA 1.359 59.691 58.200 0.221 0.000 0.991 114 S CB -0.710 62.735 63.200 0.408 0.000 0.823 114 S HN 0.834 nan 8.310 nan 0.000 0.469 115 G N 1.667 110.559 108.800 0.154 0.000 2.418 115 G HA2 -0.145 3.815 3.960 0.000 0.000 0.217 115 G HA3 -0.145 3.815 3.960 0.000 0.000 0.217 115 G C 1.331 176.275 174.900 0.073 0.000 1.158 115 G CA 0.665 45.823 45.100 0.097 0.000 0.771 115 G HN 0.487 nan 8.290 nan 0.000 0.545 116 I N 1.263 121.881 120.570 0.080 0.000 2.202 116 I HA -0.111 4.059 4.170 0.000 0.000 0.242 116 I C 3.292 179.434 176.117 0.041 0.000 1.091 116 I CA 0.885 62.219 61.300 0.057 0.000 1.368 116 I CB -0.227 37.809 38.000 0.060 0.000 1.058 116 I HN 0.230 nan 8.210 nan 0.000 0.410 117 A N 0.273 123.119 122.820 0.043 0.000 1.940 117 A HA -0.216 4.104 4.320 0.000 0.000 0.219 117 A C 2.480 180.077 177.584 0.023 0.000 1.176 117 A CA 2.330 54.378 52.037 0.018 0.000 0.631 117 A CB -0.740 18.268 19.000 0.013 0.000 0.814 117 A HN 0.412 nan 8.150 nan 0.000 0.446 118 S N -0.100 115.623 115.700 0.039 0.000 2.368 118 S HA -0.023 4.447 4.470 0.000 0.000 0.225 118 S C 2.317 176.931 174.600 0.024 0.000 1.030 118 S CA 1.180 59.399 58.200 0.032 0.000 0.999 118 S CB -0.497 62.725 63.200 0.036 0.000 0.844 118 S HN 0.815 nan 8.310 nan 0.000 0.459 119 A N 1.655 124.491 122.820 0.026 0.000 1.902 119 A HA 0.146 4.466 4.320 0.000 0.000 0.217 119 A C 2.364 179.959 177.584 0.018 0.000 1.181 119 A CA 1.655 53.705 52.037 0.021 0.000 0.623 119 A CB -1.099 17.914 19.000 0.021 0.000 0.818 119 A HN 0.507 nan 8.150 nan 0.000 0.443 120 A N -0.076 122.755 122.820 0.017 0.000 1.902 120 A HA 0.149 4.469 4.320 0.000 0.000 0.217 120 A C 2.509 180.102 177.584 0.015 0.000 1.181 120 A CA 2.138 54.183 52.037 0.014 0.000 0.623 120 A CB -1.032 17.971 19.000 0.005 0.000 0.818 120 A HN 1.060 nan 8.150 nan 0.000 0.443 121 A N -0.226 122.601 122.820 0.011 0.000 1.933 121 A HA 0.177 4.497 4.320 0.000 0.000 0.218 121 A C 2.487 180.084 177.584 0.020 0.000 1.175 121 A CA 2.031 54.075 52.037 0.012 0.000 0.628 121 A CB -0.955 18.050 19.000 0.008 0.000 0.814 121 A HN 1.043 nan 8.150 nan 0.000 0.444 122 A N -0.123 122.709 122.820 0.021 0.000 1.902 122 A HA 0.174 4.494 4.320 0.000 0.000 0.217 122 A C 2.499 180.101 177.584 0.029 0.000 1.181 122 A CA 2.041 54.092 52.037 0.023 0.000 0.623 122 A CB -0.977 18.034 19.000 0.019 0.000 0.818 122 A HN 1.010 nan 8.150 nan 0.000 0.443 123 A N -0.534 122.304 122.820 0.030 0.000 1.877 123 A HA -0.003 4.317 4.320 0.000 0.000 0.216 123 A C 2.222 179.844 177.584 0.064 0.000 1.186 123 A CA 1.760 53.820 52.037 0.038 0.000 0.620 123 A CB -1.016 18.002 19.000 0.030 0.000 0.822 123 A HN 0.396 nan 8.150 nan 0.000 0.443 124 V N 0.323 120.275 119.914 0.064 0.000 2.332 124 V HA -0.271 3.849 4.120 0.000 0.000 0.248 124 V C 2.654 178.796 176.094 0.081 0.000 1.055 124 V CA 2.540 64.890 62.300 0.082 0.000 1.038 124 V CB -0.738 31.111 31.823 0.045 0.000 0.651 124 V HN 0.764 nan 8.190 nan 0.000 0.450 125 E N 0.925 121.158 120.200 0.055 0.000 2.072 125 E HA -0.161 4.189 4.350 0.000 0.000 0.191 125 E C 2.104 178.740 176.600 0.059 0.000 0.985 125 E CA 1.744 58.174 56.400 0.050 0.000 0.801 125 E CB -0.531 29.189 29.700 0.034 0.000 0.750 125 E HN 0.492 nan 8.360 nan 0.000 0.452 126 A N 0.825 123.680 122.820 0.057 0.000 1.902 126 A HA -0.013 4.307 4.320 0.000 0.000 0.217 126 A C 2.451 180.082 177.584 0.078 0.000 1.181 126 A CA 2.118 54.187 52.037 0.054 0.000 0.623 126 A CB -1.022 18.002 19.000 0.040 0.000 0.818 126 A HN 0.401 nan 8.150 nan 0.000 0.443 127 A N -0.354 122.537 122.820 0.118 0.000 1.873 127 A HA -0.150 4.170 4.320 0.000 0.000 0.215 127 A C 2.266 179.992 177.584 0.236 0.000 1.186 127 A CA 1.676 53.839 52.037 0.210 0.000 0.616 127 A CB -0.518 18.709 19.000 0.378 0.000 0.823 127 A HN 0.538 nan 8.150 nan 0.000 0.442 128 R N -0.539 120.064 120.500 0.171 0.000 2.081 128 R HA -0.125 4.215 4.340 0.000 0.000 0.235 128 R C 2.210 178.566 176.300 0.094 0.000 1.131 128 R CA 1.562 57.735 56.100 0.122 0.000 0.960 128 R CB -0.696 29.650 30.300 0.077 0.000 0.856 128 R HN 0.468 nan 8.270 nan 0.000 0.436 129 G N -0.327 108.519 108.800 0.077 0.000 2.448 129 G HA2 -0.227 3.733 3.960 0.000 0.000 0.219 129 G HA3 -0.227 3.733 3.960 0.000 0.000 0.219 129 G C 1.259 176.194 174.900 0.058 0.000 1.127 129 G CA 0.667 45.800 45.100 0.056 0.000 0.766 129 G HN 0.467 nan 8.290 nan 0.000 0.552 130 A N -0.280 122.588 122.820 0.080 0.000 2.238 130 A HA 0.472 4.792 4.320 0.000 0.000 0.208 130 A C 2.006 179.650 177.584 0.100 0.000 1.177 130 A CA 1.198 53.279 52.037 0.073 0.000 0.804 130 A CB -0.464 18.572 19.000 0.061 0.000 0.823 130 A HN 1.534 nan 8.150 nan 0.000 0.482 131 G N -2.377 106.491 108.800 0.112 0.000 2.153 131 G HA2 -0.297 3.663 3.960 0.000 0.000 0.252 131 G HA3 -0.297 3.663 3.960 0.000 0.000 0.252 131 G C -0.136 174.864 174.900 0.168 0.000 0.994 131 G CA 0.342 45.505 45.100 0.104 0.000 0.698 131 G HN 0.713 nan 8.290 nan 0.000 0.521 132 W N 1.495 122.796 121.300 0.002 0.000 2.315 132 W HA 0.579 5.239 4.660 0.000 0.000 0.316 132 W C 1.429 177.959 176.519 0.018 0.000 1.211 132 W CA 0.197 57.547 57.345 0.007 0.000 1.201 132 W CB 1.172 30.647 29.460 0.025 0.000 1.184 132 W HN 0.355 nan 8.180 nan 0.000 0.544 133 T N 1.706 115.985 114.554 -0.458 0.000 3.092 133 T HA 0.338 4.688 4.350 0.000 0.000 0.258 133 T C 0.777 175.034 174.700 -0.738 0.000 1.031 133 T CA 0.092 61.932 62.100 -0.433 0.000 0.925 133 T CB -0.208 68.506 68.868 -0.256 0.000 1.036 133 T HN 0.445 nan 8.240 nan 0.000 0.544 134 G N 0.380 108.139 108.800 -1.734 0.000 2.553 134 G HA2 0.434 4.394 3.960 0.000 0.000 0.278 134 G HA3 0.434 4.394 3.960 0.000 0.000 0.278 134 G C -0.958 173.390 174.900 -0.921 0.000 1.349 134 G CA -0.809 43.250 45.100 -1.736 0.000 1.037 134 G HN 0.670 nan 8.290 nan 0.000 0.508 135 H N -1.494 117.267 119.070 -0.515 0.000 2.481 135 H HA 0.362 4.918 4.556 0.000 0.000 0.333 135 H C -0.512 174.928 175.328 0.188 0.000 1.066 135 H CA -1.027 54.962 56.048 -0.100 0.000 1.209 135 H CB 2.029 31.737 29.762 -0.089 0.000 1.445 135 H HN 0.158 nan 8.280 nan 0.000 0.488 136 V N 2.784 122.894 119.914 0.327 0.000 2.555 136 V HA 0.384 4.504 4.120 0.000 0.000 0.286 136 V C 0.344 176.491 176.094 0.089 0.000 1.044 136 V CA -0.074 62.362 62.300 0.226 0.000 1.026 136 V CB 0.798 32.724 31.823 0.172 0.000 0.981 136 V HN 0.890 nan 8.190 nan 0.000 0.480 137 A N 3.800 126.635 122.820 0.025 0.000 2.515 137 A HA 0.917 5.237 4.320 0.000 0.000 0.296 137 A C 0.159 177.751 177.584 0.012 0.000 1.094 137 A CA -0.059 51.961 52.037 -0.028 0.000 0.718 137 A CB 1.717 20.558 19.000 -0.264 0.000 1.307 137 A HN 0.965 nan 8.150 nan 0.000 0.408 138 G N -0.588 108.249 108.800 0.061 0.000 2.531 138 G HA2 0.664 4.624 3.960 0.000 0.000 0.281 138 G HA3 0.664 4.624 3.960 0.000 0.000 0.281 138 G C 0.121 175.087 174.900 0.110 0.000 1.382 138 G CA 0.316 45.456 45.100 0.067 0.000 1.045 138 G HN 1.580 nan 8.290 nan 0.000 0.533 139 T N -3.955 110.643 114.554 0.072 0.000 2.696 139 T HA 0.430 4.780 4.350 0.000 0.000 0.291 139 T C 0.551 175.259 174.700 0.014 0.000 1.095 139 T CA -0.819 61.320 62.100 0.066 0.000 1.026 139 T CB 1.786 70.681 68.868 0.045 0.000 1.390 139 T HN 0.284 nan 8.240 nan 0.000 0.513 140 R N -0.008 120.490 120.500 -0.003 0.000 2.325 140 R HA 0.188 4.528 4.340 0.000 0.000 0.214 140 R C 0.285 176.570 176.300 -0.026 0.000 0.961 140 R CA 0.074 56.150 56.100 -0.040 0.000 1.086 140 R CB -0.118 30.161 30.300 -0.035 0.000 1.037 140 R HN 0.419 nan 8.270 nan 0.000 0.493 141 K N 1.599 121.995 120.400 -0.008 0.000 2.737 141 K HA 0.026 4.346 4.320 0.000 0.000 0.251 141 K C -0.167 176.434 176.600 0.001 0.000 1.280 141 K CA 0.041 56.327 56.287 -0.001 0.000 1.219 141 K CB 0.295 32.797 32.500 0.004 0.000 1.587 141 K HN 0.103 nan 8.250 nan 0.000 0.279 142 T N -2.814 111.737 114.554 -0.005 0.000 2.950 142 T HA 0.258 4.608 4.350 0.000 0.000 0.288 142 T C 0.338 175.060 174.700 0.035 0.000 1.035 142 T CA -0.925 61.182 62.100 0.013 0.000 1.028 142 T CB 1.527 70.382 68.868 -0.021 0.000 1.109 142 T HN -0.004 nan 8.240 nan 0.000 0.514 143 T N 4.010 118.612 114.554 0.080 0.000 2.817 143 T HA 0.276 4.626 4.350 0.000 0.000 0.295 143 T C -2.343 172.415 174.700 0.096 0.000 0.958 143 T CA -0.437 61.709 62.100 0.078 0.000 1.157 143 T CB -0.130 68.788 68.868 0.084 0.000 0.898 143 T HN 0.463 nan 8.240 nan 0.000 0.536 144 P HA 0.130 nan 4.420 nan 0.000 0.261 144 P C 1.134 178.499 177.300 0.109 0.000 1.173 144 P CA 0.987 64.125 63.100 0.063 0.000 0.760 144 P CB 0.147 31.870 31.700 0.038 0.000 0.783 145 G N 2.263 111.142 108.800 0.132 0.000 2.225 145 G HA2 -0.330 3.630 3.960 0.000 0.000 0.254 145 G HA3 -0.330 3.630 3.960 0.000 0.000 0.254 145 G C 0.455 175.551 174.900 0.327 0.000 0.988 145 G CA -0.057 45.162 45.100 0.197 0.000 0.625 145 G HN 0.516 nan 8.290 nan 0.000 0.527 146 F N 1.126 121.119 119.950 0.071 0.000 2.683 146 F HA 0.472 4.999 4.527 0.000 0.000 0.306 146 F C 1.907 177.726 175.800 0.032 0.000 1.102 146 F CA 0.168 58.206 58.000 0.063 0.000 1.244 146 F CB 0.070 39.056 39.000 -0.025 0.000 1.029 146 F HN 0.162 nan 8.300 nan 0.000 0.545 147 R N -0.134 120.398 120.500 0.052 0.000 2.081 147 R HA -0.174 4.166 4.340 0.000 0.000 0.235 147 R C 2.040 178.317 176.300 -0.039 0.000 1.131 147 R CA 1.805 57.868 56.100 -0.062 0.000 0.960 147 R CB -0.446 29.749 30.300 -0.175 0.000 0.856 147 R HN 0.382 nan 8.270 nan 0.000 0.436 148 L N 0.502 121.767 121.223 0.070 0.000 2.013 148 L HA -0.185 4.155 4.340 0.000 0.000 0.212 148 L C 2.125 179.030 176.870 0.059 0.000 1.073 148 L CA 1.650 56.609 54.840 0.197 0.000 0.753 148 L CB -0.380 41.822 42.059 0.237 0.000 0.890 148 L HN 0.053 nan 8.230 nan 0.000 0.432 149 V N -0.498 119.165 119.914 -0.417 0.000 2.358 149 V HA -0.256 3.864 4.120 0.000 0.000 0.246 149 V C 2.441 178.341 176.094 -0.323 0.000 1.047 149 V CA 1.988 63.823 62.300 -0.776 0.000 1.035 149 V CB -0.694 30.111 31.823 -1.697 0.000 0.658 149 V HN 0.504 nan 8.190 nan 0.000 0.452 150 E N -0.091 119.927 120.200 -0.302 0.000 2.072 150 E HA -0.179 4.171 4.350 0.000 0.000 0.191 150 E C 2.299 178.912 176.600 0.022 0.000 0.985 150 E CA 0.866 57.217 56.400 -0.081 0.000 0.801 150 E CB -0.137 29.551 29.700 -0.021 0.000 0.750 150 E HN 0.444 nan 8.360 nan 0.000 0.452 151 K N 0.517 120.957 120.400 0.067 0.000 2.097 151 K HA -0.143 4.177 4.320 0.000 0.000 0.205 151 K C 2.057 178.763 176.600 0.178 0.000 1.050 151 K CA 0.871 57.243 56.287 0.142 0.000 0.938 151 K CB -0.536 32.121 32.500 0.262 0.000 0.718 151 K HN 0.228 nan 8.250 nan 0.000 0.442 152 Y N 1.678 122.051 120.300 0.121 0.000 2.165 152 Y HA -0.191 4.359 4.550 0.000 0.000 0.286 152 Y C 2.226 178.183 175.900 0.095 0.000 1.155 152 Y CA 1.894 60.079 58.100 0.141 0.000 1.164 152 Y CB -0.682 37.946 38.460 0.281 0.000 0.978 152 Y HN 0.095 nan 8.280 nan 0.000 0.513 153 G N 0.479 109.333 108.800 0.090 0.000 2.440 153 G HA2 -0.262 3.698 3.960 0.000 0.000 0.218 153 G HA3 -0.262 3.698 3.960 0.000 0.000 0.218 153 G C 1.694 176.560 174.900 -0.057 0.000 1.154 153 G CA 1.267 46.366 45.100 -0.001 0.000 0.767 153 G HN 0.465 nan 8.290 nan 0.000 0.552 154 L N -0.129 121.083 121.223 -0.018 0.000 2.012 154 L HA -0.090 4.250 4.340 0.000 0.000 0.210 154 L C 2.960 179.794 176.870 -0.059 0.000 1.073 154 L CA 0.776 55.606 54.840 -0.016 0.000 0.748 154 L CB -0.464 41.607 42.059 0.021 0.000 0.891 154 L HN 0.194 nan 8.230 nan 0.000 0.431 155 L N -1.054 120.113 121.223 -0.094 0.000 2.042 155 L HA -0.216 4.124 4.340 0.000 0.000 0.210 155 L C 2.523 179.276 176.870 -0.195 0.000 1.076 155 L CA 0.965 55.724 54.840 -0.135 0.000 0.749 155 L CB -0.569 41.405 42.059 -0.142 0.000 0.893 155 L HN 0.066 nan 8.230 nan 0.000 0.432 156 V N 0.119 119.850 119.914 -0.303 0.000 2.407 156 V HA -0.203 3.917 4.120 0.000 0.000 0.248 156 V C 2.443 178.457 176.094 -0.133 0.000 1.055 156 V CA 1.934 64.076 62.300 -0.262 0.000 1.049 156 V CB -1.115 30.515 31.823 -0.322 0.000 0.662 156 V HN 0.590 nan 8.190 nan 0.000 0.455 157 G N -1.019 107.723 108.800 -0.096 0.000 2.679 157 G HA2 0.261 4.221 3.960 0.000 0.000 0.212 157 G HA3 0.261 4.221 3.960 0.000 0.000 0.212 157 G C 1.257 176.130 174.900 -0.044 0.000 1.137 157 G CA 0.784 45.855 45.100 -0.048 0.000 0.787 157 G HN 1.008 nan 8.290 nan 0.000 0.534 158 G N -1.635 107.125 108.800 -0.066 0.000 2.157 158 G HA2 0.139 4.099 3.960 0.000 0.000 0.239 158 G HA3 0.139 4.099 3.960 0.000 0.000 0.239 158 G C 0.454 175.316 174.900 -0.064 0.000 0.982 158 G CA 0.311 45.371 45.100 -0.066 0.000 0.650 158 G HN 1.292 nan 8.290 nan 0.000 0.527 159 A N -0.090 122.704 122.820 -0.043 0.000 2.271 159 A HA 0.943 5.263 4.320 0.000 0.000 0.288 159 A C 0.806 178.371 177.584 -0.032 0.000 1.094 159 A CA 0.680 52.703 52.037 -0.024 0.000 0.828 159 A CB 0.841 19.845 19.000 0.006 0.000 1.091 159 A HN 2.032 nan 8.150 nan 0.000 0.493 160 A N 0.562 123.375 122.820 -0.012 0.000 2.401 160 A HA 0.477 4.797 4.320 0.000 0.000 0.259 160 A C 1.375 179.014 177.584 0.091 0.000 1.103 160 A CA 0.202 52.258 52.037 0.031 0.000 0.789 160 A CB -0.094 18.946 19.000 0.067 0.000 1.035 160 A HN 1.606 nan 8.150 nan 0.000 0.491 161 S N 1.976 117.748 115.700 0.119 0.000 2.368 161 S HA -0.089 4.381 4.470 0.000 0.000 0.225 161 S C 1.081 175.827 174.600 0.243 0.000 1.030 161 S CA 1.380 59.680 58.200 0.168 0.000 0.999 161 S CB -0.655 62.669 63.200 0.207 0.000 0.844 161 S HN 1.352 nan 8.310 nan 0.000 0.459 162 H N 1.495 120.626 119.070 0.102 0.000 1.452 162 H HA -0.196 4.360 4.556 0.000 0.000 0.090 162 H C -0.389 175.005 175.328 0.110 0.000 0.636 162 H CA 1.111 57.216 56.048 0.095 0.000 1.901 162 H CB -1.043 28.767 29.762 0.080 0.000 2.257 162 H HN 0.478 nan 8.280 nan 0.000 0.961 163 R N 0.950 121.360 120.500 -0.149 0.000 2.446 163 R HA 0.044 4.384 4.340 0.000 0.000 0.314 163 R C 0.493 176.817 176.300 0.039 0.000 1.003 163 R CA 0.771 56.803 56.100 -0.113 0.000 1.018 163 R CB -0.181 30.027 30.300 -0.154 0.000 0.945 163 R HN 0.426 nan 8.270 nan 0.000 0.419 164 Y N 2.500 122.788 120.300 -0.020 0.000 2.301 164 Y HA -0.071 4.479 4.550 0.000 0.000 0.295 164 Y C 0.370 176.278 175.900 0.014 0.000 1.126 164 Y CA 1.346 59.454 58.100 0.013 0.000 1.154 164 Y CB 0.617 39.089 38.460 0.020 0.000 1.075 164 Y HN 0.738 nan 8.280 nan 0.000 0.534 165 D N -2.406 118.089 120.400 0.159 0.000 2.759 165 D HA 0.134 4.774 4.640 0.000 0.000 0.321 165 D C -0.276 176.061 176.300 0.062 0.000 1.267 165 D CA -0.528 53.525 54.000 0.088 0.000 0.933 165 D CB 0.079 40.984 40.800 0.177 0.000 1.431 165 D HN 0.025 nan 8.370 nan 0.000 0.504 166 L N -0.130 121.122 121.223 0.049 0.000 2.610 166 L HA 0.288 4.628 4.340 0.000 0.000 0.232 166 L C 1.721 178.609 176.870 0.030 0.000 1.149 166 L CA 0.918 55.778 54.840 0.033 0.000 0.872 166 L CB -0.245 41.836 42.059 0.036 0.000 0.992 166 L HN 0.688 nan 8.230 nan 0.000 0.447 167 G N -0.905 107.921 108.800 0.044 0.000 3.126 167 G HA2 0.254 4.214 3.960 0.000 0.000 0.224 167 G HA3 0.254 4.214 3.960 0.000 0.000 0.224 167 G C 0.723 175.638 174.900 0.025 0.000 1.142 167 G CA 0.367 45.487 45.100 0.033 0.000 0.759 167 G HN 0.375 nan 8.290 nan 0.000 0.550 168 G N 0.625 109.441 108.800 0.028 0.000 2.714 168 G HA2 0.490 4.450 3.960 0.000 0.000 0.197 168 G HA3 0.490 4.450 3.960 0.000 0.000 0.197 168 G C 0.299 175.191 174.900 -0.014 0.000 1.449 168 G CA -0.372 44.736 45.100 0.013 0.000 1.065 168 G HN 0.604 nan 8.290 nan 0.000 0.575 169 L N -1.163 120.040 121.223 -0.034 0.000 2.536 169 L HA 0.336 4.676 4.340 0.000 0.000 0.294 169 L C 0.129 176.964 176.870 -0.058 0.000 1.257 169 L CA -0.574 54.237 54.840 -0.049 0.000 0.850 169 L CB -0.175 41.843 42.059 -0.068 0.000 1.105 169 L HN 0.105 nan 8.230 nan 0.000 0.517 170 V N 3.789 123.662 119.914 -0.068 0.000 2.372 170 V HA 0.248 4.368 4.120 0.000 0.000 0.261 170 V C 0.481 176.501 176.094 -0.123 0.000 1.055 170 V CA -0.112 62.132 62.300 -0.093 0.000 0.930 170 V CB 0.413 32.180 31.823 -0.093 0.000 1.031 170 V HN 0.887 nan 8.190 nan 0.000 0.479 171 M N 7.289 126.802 119.600 -0.145 0.000 2.084 171 M HA 0.404 4.884 4.480 0.000 0.000 0.351 171 M C -0.695 175.426 176.300 -0.300 0.000 1.240 171 M CA 0.190 55.403 55.300 -0.146 0.000 1.083 171 M CB 1.093 33.647 32.600 -0.076 0.000 1.593 171 M HN 0.354 nan 8.290 nan 0.000 0.463 172 V N 7.026 126.809 119.914 -0.218 0.000 2.304 172 V HA 0.379 4.499 4.120 0.000 0.000 0.269 172 V C 0.216 176.312 176.094 0.004 0.000 1.036 172 V CA -0.623 61.538 62.300 -0.232 0.000 0.840 172 V CB 0.379 32.129 31.823 -0.123 0.000 1.036 172 V HN 0.801 nan 8.190 nan 0.000 0.466 173 K N 2.341 122.891 120.400 0.250 0.000 2.209 173 K HA 0.261 4.581 4.320 0.000 0.000 0.238 173 K C 1.056 177.766 176.600 0.183 0.000 1.028 173 K CA -0.452 55.976 56.287 0.236 0.000 0.935 173 K CB 0.708 33.363 32.500 0.259 0.000 1.162 173 K HN 0.698 nan 8.250 nan 0.000 0.485 174 D N 0.539 120.998 120.400 0.098 0.000 2.133 174 D HA -0.255 4.385 4.640 0.000 0.000 0.195 174 D C 0.927 177.246 176.300 0.032 0.000 0.997 174 D CA 1.701 55.734 54.000 0.056 0.000 0.840 174 D CB -0.444 40.377 40.800 0.034 0.000 0.947 174 D HN 0.340 nan 8.370 nan 0.000 0.452 175 N N 0.489 119.183 118.700 -0.010 0.000 2.104 175 N HA -0.151 4.589 4.740 0.000 0.000 0.190 175 N C 1.767 177.194 175.510 -0.139 0.000 1.024 175 N CA 1.232 54.218 53.050 -0.107 0.000 0.853 175 N CB -0.647 37.722 38.487 -0.197 0.000 1.008 175 N HN 0.519 nan 8.380 nan 0.000 0.424 176 H N -0.202 118.868 119.070 0.000 0.000 2.353 176 H HA 0.025 4.581 4.556 0.000 0.000 0.300 176 H C 2.100 177.427 175.328 -0.003 0.000 1.090 176 H CA 1.115 57.162 56.048 -0.002 0.000 1.327 176 H CB -0.177 29.583 29.762 -0.003 0.000 1.383 176 H HN -0.060 nan 8.280 nan 0.000 0.508 177 V N 0.125 120.111 119.914 0.120 0.000 2.287 177 V HA -0.255 3.865 4.120 0.000 0.000 0.248 177 V C 2.365 178.479 176.094 0.033 0.000 1.053 177 V CA 1.625 63.963 62.300 0.063 0.000 1.027 177 V CB -0.572 31.281 31.823 0.049 0.000 0.646 177 V HN 0.270 nan 8.190 nan 0.000 0.447 178 V N 0.284 120.208 119.914 0.017 0.000 2.295 178 V HA -0.274 3.846 4.120 0.000 0.000 0.246 178 V C 2.716 178.810 176.094 -0.000 0.000 1.049 178 V CA 2.166 64.467 62.300 0.002 0.000 1.024 178 V CB -1.191 30.625 31.823 -0.012 0.000 0.648 178 V HN 0.567 nan 8.190 nan 0.000 0.447 179 A N -0.166 122.651 122.820 -0.006 0.000 1.933 179 A HA -0.079 4.241 4.320 0.000 0.000 0.218 179 A C 2.322 179.914 177.584 0.013 0.000 1.175 179 A CA 2.050 54.085 52.037 -0.004 0.000 0.628 179 A CB -0.674 18.315 19.000 -0.019 0.000 0.814 179 A HN 0.594 nan 8.150 nan 0.000 0.444 180 A N -2.039 120.798 122.820 0.028 0.000 2.067 180 A HA 0.387 4.707 4.320 0.000 0.000 0.217 180 A C 1.852 179.446 177.584 0.017 0.000 1.156 180 A CA 1.388 53.442 52.037 0.027 0.000 0.683 180 A CB -0.779 18.243 19.000 0.036 0.000 0.808 180 A HN 1.948 nan 8.150 nan 0.000 0.455 181 G N -2.619 106.190 108.800 0.014 0.000 2.130 181 G HA2 0.373 4.333 3.960 0.000 0.000 0.216 181 G HA3 0.373 4.333 3.960 0.000 0.000 0.216 181 G C 0.816 175.722 174.900 0.010 0.000 0.999 181 G CA 0.288 45.394 45.100 0.010 0.000 0.686 181 G HN 2.305 nan 8.290 nan 0.000 0.515 182 G N -2.961 105.847 108.800 0.013 0.000 2.321 182 G HA2 0.417 4.377 3.960 0.000 0.000 0.339 182 G HA3 0.417 4.377 3.960 0.000 0.000 0.339 182 G C 0.461 175.368 174.900 0.012 0.000 1.518 182 G CA 0.595 45.702 45.100 0.012 0.000 0.994 182 G HN 1.549 nan 8.290 nan 0.000 0.668 183 V N 0.198 120.118 119.914 0.010 0.000 2.295 183 V HA -0.056 4.064 4.120 0.000 0.000 0.246 183 V C 2.322 178.412 176.094 -0.006 0.000 1.049 183 V CA 3.123 65.426 62.300 0.005 0.000 1.024 183 V CB -0.217 31.607 31.823 0.003 0.000 0.648 183 V HN 0.896 nan 8.190 nan 0.000 0.447 184 E N -0.233 119.963 120.200 -0.006 0.000 2.051 184 E HA -0.282 4.068 4.350 0.000 0.000 0.192 184 E C 2.287 178.880 176.600 -0.011 0.000 0.991 184 E CA 1.820 58.213 56.400 -0.012 0.000 0.799 184 E CB -0.114 29.583 29.700 -0.006 0.000 0.748 184 E HN 0.671 nan 8.360 nan 0.000 0.449 185 K N 0.142 120.540 120.400 -0.004 0.000 2.057 185 K HA -0.137 4.183 4.320 0.000 0.000 0.207 185 K C 2.184 178.783 176.600 -0.002 0.000 1.049 185 K CA 1.202 57.488 56.287 -0.002 0.000 0.931 185 K CB -0.187 32.316 32.500 0.004 0.000 0.714 185 K HN 0.100 nan 8.250 nan 0.000 0.440 186 A N 1.028 123.850 122.820 0.003 0.000 1.877 186 A HA -0.140 4.180 4.320 0.000 0.000 0.216 186 A C 2.343 179.915 177.584 -0.020 0.000 1.186 186 A CA 1.672 53.713 52.037 0.006 0.000 0.620 186 A CB -0.782 18.234 19.000 0.026 0.000 0.822 186 A HN 0.183 nan 8.150 nan 0.000 0.443 187 V N -0.092 119.804 119.914 -0.029 0.000 2.453 187 V HA -0.176 3.944 4.120 0.000 0.000 0.247 187 V C 2.475 178.539 176.094 -0.050 0.000 1.048 187 V CA 2.345 64.616 62.300 -0.048 0.000 1.049 187 V CB -0.656 31.134 31.823 -0.056 0.000 0.672 187 V HN 0.655 nan 8.190 nan 0.000 0.457 188 R N -0.065 120.412 120.500 -0.038 0.000 2.083 188 R HA -0.166 4.174 4.340 0.000 0.000 0.237 188 R C 2.283 178.561 176.300 -0.036 0.000 1.137 188 R CA 1.940 58.018 56.100 -0.036 0.000 0.951 188 R CB -0.628 29.657 30.300 -0.024 0.000 0.851 188 R HN 0.595 nan 8.270 nan 0.000 0.434 189 A N 0.536 123.340 122.820 -0.027 0.000 1.902 189 A HA -0.099 4.221 4.320 0.000 0.000 0.217 189 A C 2.334 179.896 177.584 -0.038 0.000 1.181 189 A CA 1.701 53.724 52.037 -0.024 0.000 0.623 189 A CB -0.707 18.287 19.000 -0.010 0.000 0.818 189 A HN 0.548 nan 8.150 nan 0.000 0.443 190 A N -0.326 122.463 122.820 -0.051 0.000 1.902 190 A HA -0.136 4.184 4.320 0.000 0.000 0.217 190 A C 2.184 179.724 177.584 -0.072 0.000 1.181 190 A CA 2.035 54.030 52.037 -0.070 0.000 0.623 190 A CB -0.420 18.526 19.000 -0.091 0.000 0.818 190 A HN 0.472 nan 8.150 nan 0.000 0.443 191 R N -0.025 120.429 120.500 -0.076 0.000 2.081 191 R HA -0.115 4.225 4.340 0.000 0.000 0.235 191 R C 2.243 178.486 176.300 -0.096 0.000 1.131 191 R CA 2.029 58.071 56.100 -0.096 0.000 0.960 191 R CB -0.530 29.711 30.300 -0.099 0.000 0.856 191 R HN 0.686 nan 8.270 nan 0.000 0.436 192 Q N -0.848 118.910 119.800 -0.068 0.000 2.124 192 Q HA -0.088 4.252 4.340 0.000 0.000 0.202 192 Q C 2.037 178.012 176.000 -0.042 0.000 0.977 192 Q CA 1.644 57.416 55.803 -0.052 0.000 0.850 192 Q CB -0.136 28.582 28.738 -0.033 0.000 0.901 192 Q HN 0.472 nan 8.270 nan 0.000 0.429 193 A N 0.721 123.517 122.820 -0.040 0.000 1.929 193 A HA 0.024 4.344 4.320 0.000 0.000 0.216 193 A C 2.204 179.768 177.584 -0.032 0.000 1.176 193 A CA 1.303 53.323 52.037 -0.029 0.000 0.628 193 A CB -0.463 18.520 19.000 -0.029 0.000 0.816 193 A HN 0.367 nan 8.150 nan 0.000 0.444 194 A N -1.077 121.712 122.820 -0.052 0.000 1.930 194 A HA 0.193 4.513 4.320 0.000 0.000 0.215 194 A C 1.038 178.591 177.584 -0.052 0.000 1.176 194 A CA 1.487 53.493 52.037 -0.052 0.000 0.632 194 A CB -0.512 18.445 19.000 -0.071 0.000 0.819 194 A HN 0.613 nan 8.150 nan 0.000 0.445 195 D N -2.847 117.498 120.400 -0.090 0.000 3.321 195 D HA -0.277 4.363 4.640 0.000 0.000 0.178 195 D C 0.340 176.520 176.300 -0.200 0.000 1.208 195 D CA 2.215 56.143 54.000 -0.120 0.000 1.074 195 D CB -1.262 39.550 40.800 0.020 0.000 0.560 195 D HN 0.184 nan 8.370 nan 0.000 0.618 196 F N -0.565 119.381 119.950 -0.005 0.000 2.569 196 F HA 0.390 4.917 4.527 0.000 0.000 0.295 196 F C 2.113 177.910 175.800 -0.005 0.000 1.115 196 F CA 0.827 58.825 58.000 -0.004 0.000 1.450 196 F CB -0.071 38.928 39.000 -0.002 0.000 1.107 196 F HN 0.311 nan 8.300 nan 0.000 0.563 197 A N -0.365 122.542 122.820 0.145 0.000 2.021 197 A HA 0.219 4.539 4.320 0.000 0.000 0.216 197 A C 0.814 178.424 177.584 0.045 0.000 1.163 197 A CA 0.619 52.708 52.037 0.087 0.000 0.676 197 A CB -0.268 18.770 19.000 0.064 0.000 0.818 197 A HN 0.191 nan 8.150 nan 0.000 0.453 198 L N -0.204 121.030 121.223 0.018 0.000 2.354 198 L HA 0.383 4.723 4.340 0.000 0.000 0.269 198 L C -0.274 176.582 176.870 -0.023 0.000 1.005 198 L CA -0.874 53.963 54.840 -0.005 0.000 0.819 198 L CB 2.020 44.071 42.059 -0.015 0.000 1.311 198 L HN 0.067 nan 8.230 nan 0.000 0.423 199 K N 0.745 121.131 120.400 -0.024 0.000 2.107 199 K HA 0.534 4.854 4.320 0.000 0.000 0.251 199 K C -1.015 175.555 176.600 -0.051 0.000 1.012 199 K CA -0.606 55.660 56.287 -0.034 0.000 0.920 199 K CB 1.736 34.224 32.500 -0.021 0.000 1.033 199 K HN 0.202 nan 8.250 nan 0.000 0.478 200 V N 1.678 121.557 119.914 -0.058 0.000 2.448 200 V HA 0.226 4.346 4.120 0.000 0.000 0.295 200 V C -0.481 175.577 176.094 -0.060 0.000 1.025 200 V CA -0.660 61.598 62.300 -0.069 0.000 0.859 200 V CB 1.418 33.192 31.823 -0.080 0.000 0.988 200 V HN 0.758 nan 8.190 nan 0.000 0.431 201 E N 3.544 123.707 120.200 -0.060 0.000 2.199 201 E HA 0.729 5.079 4.350 0.000 0.000 0.269 201 E C -1.764 174.808 176.600 -0.046 0.000 0.899 201 E CA -0.541 55.834 56.400 -0.041 0.000 0.772 201 E CB 2.211 31.897 29.700 -0.023 0.000 1.155 201 E HN 0.459 nan 8.360 nan 0.000 0.408 202 V N 3.838 123.732 119.914 -0.032 0.000 2.487 202 V HA 0.241 4.361 4.120 0.000 0.000 0.298 202 V C -0.325 175.774 176.094 0.007 0.000 1.028 202 V CA -0.854 61.432 62.300 -0.022 0.000 0.860 202 V CB 1.518 33.321 31.823 -0.035 0.000 0.991 202 V HN 0.761 nan 8.190 nan 0.000 0.427 203 E N 3.406 123.624 120.200 0.029 0.000 2.223 203 E HA 0.339 4.689 4.350 0.000 0.000 0.282 203 E C -1.190 175.453 176.600 0.071 0.000 1.046 203 E CA -0.252 56.182 56.400 0.056 0.000 0.857 203 E CB 0.759 30.499 29.700 0.067 0.000 1.055 203 E HN 0.788 nan 8.360 nan 0.000 0.409 204 C N 3.204 122.565 119.300 0.102 0.000 2.455 204 C HA 0.301 4.761 4.460 0.000 0.000 0.320 204 C C 1.230 176.384 174.990 0.273 0.000 1.226 204 C CA -0.513 58.590 59.018 0.142 0.000 1.569 204 C CB 1.361 29.171 27.740 0.116 0.000 2.200 204 C HN 0.893 nan 8.230 nan 0.000 0.491 205 S N 0.342 116.161 115.700 0.198 0.000 2.512 205 S HA 0.188 4.658 4.470 0.000 0.000 0.216 205 S C 0.403 174.964 174.600 -0.065 0.000 1.006 205 S CA 0.163 58.420 58.200 0.095 0.000 0.915 205 S CB -0.048 63.149 63.200 -0.005 0.000 0.824 205 S HN 0.969 nan 8.310 nan 0.000 0.497 206 S N 0.313 116.099 115.700 0.144 0.000 2.661 206 S HA 0.631 5.101 4.470 0.000 0.000 0.285 206 S C 0.293 175.073 174.600 0.299 0.000 1.138 206 S CA -0.686 57.604 58.200 0.150 0.000 0.855 206 S CB 1.160 64.381 63.200 0.035 0.000 1.136 206 S HN 0.158 nan 8.310 nan 0.000 0.484 207 L N 0.938 122.316 121.223 0.258 0.000 2.131 207 L HA 0.038 4.378 4.340 0.000 0.000 0.210 207 L C 2.371 179.311 176.870 0.116 0.000 1.092 207 L CA 2.018 56.966 54.840 0.180 0.000 0.759 207 L CB -1.196 40.953 42.059 0.150 0.000 0.903 207 L HN 0.833 nan 8.230 nan 0.000 0.435 208 Q N 0.154 120.010 119.800 0.093 0.000 2.061 208 Q HA -0.206 4.134 4.340 0.000 0.000 0.204 208 Q C 2.189 178.224 176.000 0.057 0.000 0.984 208 Q CA 2.281 58.124 55.803 0.066 0.000 0.846 208 Q CB -0.293 28.473 28.738 0.048 0.000 0.902 208 Q HN 0.620 nan 8.270 nan 0.000 0.421 209 E N -0.185 120.052 120.200 0.062 0.000 2.110 209 E HA -0.177 4.173 4.350 0.000 0.000 0.193 209 E C 1.858 178.475 176.600 0.027 0.000 0.988 209 E CA 0.915 57.343 56.400 0.046 0.000 0.804 209 E CB -0.170 29.566 29.700 0.060 0.000 0.745 209 E HN 0.391 nan 8.360 nan 0.000 0.458 210 A N 0.867 123.714 122.820 0.045 0.000 1.930 210 A HA -0.096 4.224 4.320 0.000 0.000 0.217 210 A C 2.461 180.010 177.584 -0.060 0.000 1.175 210 A CA 0.852 52.890 52.037 0.000 0.000 0.627 210 A CB -0.385 18.629 19.000 0.023 0.000 0.815 210 A HN 0.097 nan 8.150 nan 0.000 0.443 211 V N -0.180 119.736 119.914 0.004 0.000 2.358 211 V HA -0.289 3.831 4.120 0.000 0.000 0.246 211 V C 2.613 178.664 176.094 -0.072 0.000 1.047 211 V CA 2.153 64.468 62.300 0.025 0.000 1.035 211 V CB -0.873 31.047 31.823 0.161 0.000 0.658 211 V HN 0.622 nan 8.190 nan 0.000 0.452 212 Q N -0.188 119.594 119.800 -0.030 0.000 2.061 212 Q HA -0.218 4.122 4.340 0.000 0.000 0.204 212 Q C 2.431 178.372 176.000 -0.098 0.000 0.984 212 Q CA 1.984 57.764 55.803 -0.040 0.000 0.846 212 Q CB -0.437 28.295 28.738 -0.011 0.000 0.902 212 Q HN 0.678 nan 8.270 nan 0.000 0.421 213 A N 0.925 123.676 122.820 -0.114 0.000 1.877 213 A HA -0.175 4.145 4.320 0.000 0.000 0.216 213 A C 2.271 179.715 177.584 -0.234 0.000 1.186 213 A CA 1.759 53.715 52.037 -0.135 0.000 0.620 213 A CB -0.923 18.016 19.000 -0.102 0.000 0.822 213 A HN 0.429 nan 8.150 nan 0.000 0.443 214 A N -0.418 122.155 122.820 -0.412 0.000 1.858 214 A HA -0.175 4.145 4.320 0.000 0.000 0.216 214 A C 1.905 179.095 177.584 -0.656 0.000 1.190 214 A CA 1.711 53.313 52.037 -0.725 0.000 0.617 214 A CB -0.649 17.460 19.000 -1.484 0.000 0.827 214 A HN 0.602 nan 8.150 nan 0.000 0.443 215 E N -0.535 119.339 120.200 -0.542 0.000 2.209 215 E HA -0.123 4.227 4.350 0.000 0.000 0.196 215 E C 1.807 178.359 176.600 -0.080 0.000 0.993 215 E CA 0.885 57.209 56.400 -0.128 0.000 0.819 215 E CB -0.195 29.527 29.700 0.036 0.000 0.745 215 E HN 0.619 nan 8.360 nan 0.000 0.477 216 A N -0.487 122.262 122.820 -0.118 0.000 2.275 216 A HA 0.319 4.639 4.320 0.000 0.000 0.212 216 A C 1.482 179.013 177.584 -0.088 0.000 1.201 216 A CA 0.706 52.696 52.037 -0.078 0.000 0.843 216 A CB 0.106 19.065 19.000 -0.068 0.000 0.873 216 A HN 0.302 nan 8.150 nan 0.000 0.492 217 G N -1.835 106.895 108.800 -0.116 0.000 2.138 217 G HA2 0.172 4.132 3.960 0.000 0.000 0.193 217 G HA3 0.172 4.132 3.960 0.000 0.000 0.193 217 G C 0.345 175.182 174.900 -0.105 0.000 0.998 217 G CA 0.046 45.087 45.100 -0.098 0.000 0.668 217 G HN 1.494 nan 8.290 nan 0.000 0.516 218 A N 0.137 122.880 122.820 -0.128 0.000 2.511 218 A HA 0.509 4.829 4.320 0.000 0.000 0.242 218 A C 1.239 178.770 177.584 -0.088 0.000 1.069 218 A CA 0.907 52.880 52.037 -0.106 0.000 0.763 218 A CB 0.297 19.229 19.000 -0.113 0.000 1.001 218 A HN 0.284 nan 8.150 nan 0.000 0.498 219 D N 0.871 121.235 120.400 -0.060 0.000 2.183 219 D HA 0.067 4.707 4.640 0.000 0.000 0.205 219 D C -0.137 176.151 176.300 -0.020 0.000 0.962 219 D CA 1.254 55.234 54.000 -0.034 0.000 0.849 219 D CB 0.104 40.890 40.800 -0.023 0.000 0.978 219 D HN 0.409 nan 8.370 nan 0.000 0.488 220 L N 0.615 121.825 121.223 -0.021 0.000 2.386 220 L HA 0.333 4.673 4.340 0.000 0.000 0.271 220 L C -0.646 176.214 176.870 -0.017 0.000 0.993 220 L CA -0.658 54.182 54.840 -0.001 0.000 0.819 220 L CB 3.015 45.093 42.059 0.033 0.000 1.294 220 L HN -0.346 nan 8.230 nan 0.000 0.414 221 V N 3.712 123.617 119.914 -0.016 0.000 2.384 221 V HA 0.404 4.524 4.120 0.000 0.000 0.287 221 V C -0.654 175.432 176.094 -0.013 0.000 1.020 221 V CA -0.571 61.713 62.300 -0.027 0.000 0.850 221 V CB 1.803 33.595 31.823 -0.052 0.000 0.987 221 V HN 0.471 nan 8.190 nan 0.000 0.436 222 L N 7.479 128.703 121.223 0.001 0.000 2.262 222 L HA 0.529 4.869 4.340 0.000 0.000 0.288 222 L C -0.478 176.393 176.870 0.002 0.000 1.035 222 L CA 0.041 54.888 54.840 0.012 0.000 0.820 222 L CB 0.794 42.878 42.059 0.042 0.000 1.204 222 L HN 0.526 nan 8.230 nan 0.000 0.424 223 L N 4.954 126.129 121.223 -0.079 0.000 2.295 223 L HA 0.331 4.671 4.340 0.000 0.000 0.288 223 L C -0.319 176.587 176.870 0.060 0.000 1.079 223 L CA -0.268 54.456 54.840 -0.193 0.000 0.830 223 L CB 0.631 42.245 42.059 -0.742 0.000 1.200 223 L HN 0.617 nan 8.230 nan 0.000 0.438 224 D N 3.458 124.042 120.400 0.307 0.000 2.193 224 D HA 0.176 4.816 4.640 0.000 0.000 0.244 224 D C 0.384 176.874 176.300 0.317 0.000 1.064 224 D CA -0.207 53.936 54.000 0.239 0.000 0.845 224 D CB 0.663 41.548 40.800 0.142 0.000 1.148 224 D HN 0.393 nan 8.370 nan 0.000 0.464 225 N N 2.542 121.371 118.700 0.214 0.000 2.735 225 N HA -0.221 4.519 4.740 0.000 0.000 0.248 225 N C -0.917 174.708 175.510 0.192 0.000 1.083 225 N CA 0.573 53.718 53.050 0.159 0.000 0.703 225 N CB -0.994 37.531 38.487 0.062 0.000 1.005 225 N HN 0.329 nan 8.380 nan 0.000 0.550 226 F N 1.318 121.322 119.950 0.091 0.000 2.389 226 F HA 0.234 4.761 4.527 0.000 0.000 0.337 226 F C 1.563 177.436 175.800 0.121 0.000 1.112 226 F CA -0.137 57.910 58.000 0.078 0.000 1.192 226 F CB 0.643 39.671 39.000 0.047 0.000 1.185 226 F HN -0.244 nan 8.300 nan 0.000 0.552 227 K N 4.140 124.647 120.400 0.177 0.000 2.326 227 K HA 0.099 4.419 4.320 0.000 0.000 0.275 227 K C -1.727 174.864 176.600 -0.015 0.000 1.018 227 K CA -1.186 55.144 56.287 0.072 0.000 0.962 227 K CB 0.419 32.930 32.500 0.018 0.000 0.953 227 K HN 0.254 nan 8.250 nan 0.000 0.475 228 P HA -0.285 nan 4.420 nan 0.000 0.216 228 P C 0.843 178.089 177.300 -0.089 0.000 1.154 228 P CA 1.410 64.283 63.100 -0.378 0.000 0.865 228 P CB 0.132 31.535 31.700 -0.495 0.000 0.789 229 E N -0.457 119.724 120.200 -0.032 0.000 2.268 229 E HA -0.186 4.164 4.350 0.000 0.000 0.195 229 E C 1.409 178.045 176.600 0.061 0.000 0.995 229 E CA 1.117 57.535 56.400 0.030 0.000 0.836 229 E CB -0.662 29.044 29.700 0.011 0.000 0.763 229 E HN 0.318 nan 8.360 nan 0.000 0.491 230 E N 0.598 120.847 120.200 0.081 0.000 2.216 230 E HA 0.021 4.371 4.350 0.000 0.000 0.192 230 E C 2.159 178.893 176.600 0.224 0.000 0.973 230 E CA 0.058 56.558 56.400 0.167 0.000 0.851 230 E CB -0.158 29.653 29.700 0.186 0.000 0.804 230 E HN 0.194 nan 8.360 nan 0.000 0.477 231 L N 1.688 122.978 121.223 0.112 0.000 1.970 231 L HA -0.203 4.137 4.340 0.000 0.000 0.212 231 L C 2.284 179.012 176.870 -0.236 0.000 1.071 231 L CA 1.909 56.643 54.840 -0.176 0.000 0.751 231 L CB -0.575 41.272 42.059 -0.352 0.000 0.889 231 L HN 0.144 nan 8.230 nan 0.000 0.432 232 H N -0.726 118.351 119.070 0.010 0.000 2.357 232 H HA -0.025 4.531 4.556 0.000 0.000 0.301 232 H C -0.336 175.024 175.328 0.054 0.000 1.082 232 H CA 1.861 57.930 56.048 0.036 0.000 1.342 232 H CB -1.801 27.978 29.762 0.028 0.000 1.389 232 H HN 0.384 nan 8.280 nan 0.000 0.511 233 P HA -0.077 nan 4.420 nan 0.000 0.217 233 P C 1.597 178.932 177.300 0.058 0.000 1.150 233 P CA 1.611 64.767 63.100 0.094 0.000 0.832 233 P CB -0.065 31.686 31.700 0.085 0.000 0.787 234 T N -0.430 114.157 114.554 0.054 0.000 2.708 234 T HA -0.130 4.220 4.350 0.000 0.000 0.266 234 T C 1.926 176.613 174.700 -0.020 0.000 1.037 234 T CA 1.725 63.843 62.100 0.030 0.000 1.146 234 T CB -0.994 67.894 68.868 0.033 0.000 0.865 234 T HN 0.039 nan 8.240 nan 0.000 0.435 235 A N 1.234 124.028 122.820 -0.042 0.000 1.933 235 A HA -0.121 4.199 4.320 0.000 0.000 0.218 235 A C 2.535 180.081 177.584 -0.064 0.000 1.175 235 A CA 2.055 54.085 52.037 -0.012 0.000 0.628 235 A CB -1.228 17.809 19.000 0.062 0.000 0.814 235 A HN 0.484 nan 8.150 nan 0.000 0.444 236 T N -0.288 114.207 114.554 -0.099 0.000 2.674 236 T HA -0.139 4.212 4.350 0.000 0.000 0.265 236 T C 1.892 176.440 174.700 -0.254 0.000 1.039 236 T CA 1.660 63.537 62.100 -0.371 0.000 1.150 236 T CB -0.568 68.229 68.868 -0.119 0.000 0.864 236 T HN 0.143 nan 8.240 nan 0.000 0.427 237 V N 1.333 121.189 119.914 -0.097 0.000 2.282 237 V HA -0.149 3.971 4.120 0.000 0.000 0.249 237 V C 2.450 178.531 176.094 -0.021 0.000 1.057 237 V CA 1.440 63.712 62.300 -0.047 0.000 1.032 237 V CB -0.669 31.157 31.823 0.004 0.000 0.645 237 V HN 0.285 nan 8.190 nan 0.000 0.447 238 L N -0.202 121.030 121.223 0.015 0.000 2.017 238 L HA -0.132 4.208 4.340 0.000 0.000 0.208 238 L C 2.483 179.417 176.870 0.106 0.000 1.073 238 L CA 1.937 56.846 54.840 0.116 0.000 0.745 238 L CB -0.709 41.401 42.059 0.085 0.000 0.894 238 L HN 0.158 nan 8.230 nan 0.000 0.432 239 K N -0.525 119.869 120.400 -0.010 0.000 2.147 239 K HA -0.064 4.256 4.320 0.000 0.000 0.205 239 K C 2.058 178.628 176.600 -0.049 0.000 1.049 239 K CA 1.249 57.525 56.287 -0.017 0.000 0.936 239 K CB -0.601 31.854 32.500 -0.076 0.000 0.722 239 K HN 0.437 nan 8.250 nan 0.000 0.446 240 A N 1.082 123.838 122.820 -0.108 0.000 1.902 240 A HA -0.225 4.095 4.320 0.000 0.000 0.217 240 A C 2.172 179.672 177.584 -0.141 0.000 1.181 240 A CA 1.751 53.725 52.037 -0.105 0.000 0.623 240 A CB -0.383 18.554 19.000 -0.105 0.000 0.818 240 A HN 0.409 nan 8.150 nan 0.000 0.443 241 Q N -2.256 117.420 119.800 -0.207 0.000 2.204 241 Q HA 0.108 4.448 4.340 0.000 0.000 0.198 241 Q C -0.682 174.872 176.000 -0.744 0.000 0.946 241 Q CA 0.385 55.889 55.803 -0.500 0.000 0.859 241 Q CB 0.279 28.642 28.738 -0.625 0.000 0.946 241 Q HN 0.594 nan 8.270 nan 0.000 0.474 242 F N 0.097 120.037 119.950 -0.016 0.000 2.564 242 F HA 0.362 4.889 4.527 0.000 0.000 0.361 242 F C -2.066 173.731 175.800 -0.005 0.000 1.161 242 F CA -2.118 55.877 58.000 -0.009 0.000 1.198 242 F CB 1.512 40.507 39.000 -0.008 0.000 1.424 242 F HN 0.040 nan 8.300 nan 0.000 0.517 243 P HA -0.094 nan 4.420 nan 0.000 0.220 243 P C 1.222 178.569 177.300 0.079 0.000 1.148 243 P CA 1.183 64.324 63.100 0.069 0.000 0.803 243 P CB 0.307 32.027 31.700 0.033 0.000 0.782 244 S N -1.353 114.402 115.700 0.092 0.000 2.558 244 S HA 0.065 4.535 4.470 0.000 0.000 0.217 244 S C 0.803 175.441 174.600 0.065 0.000 0.975 244 S CA 0.017 58.259 58.200 0.070 0.000 0.912 244 S CB -0.269 62.969 63.200 0.064 0.000 0.776 244 S HN -0.071 nan 8.310 nan 0.000 0.526 245 V N 2.783 122.749 119.914 0.088 0.000 2.488 245 V HA 0.503 4.623 4.120 0.000 0.000 0.277 245 V C 0.504 176.626 176.094 0.047 0.000 1.046 245 V CA -0.838 61.492 62.300 0.050 0.000 0.986 245 V CB 0.631 32.472 31.823 0.030 0.000 0.989 245 V HN 0.389 nan 8.190 nan 0.000 0.475 246 A N 5.375 128.214 122.820 0.030 0.000 2.322 246 A HA 0.675 4.995 4.320 0.000 0.000 0.269 246 A C -0.391 177.216 177.584 0.037 0.000 1.094 246 A CA -0.338 51.719 52.037 0.034 0.000 0.807 246 A CB 0.775 19.792 19.000 0.029 0.000 1.047 246 A HN 0.661 nan 8.150 nan 0.000 0.487 247 V N 2.017 121.963 119.914 0.053 0.000 2.448 247 V HA 0.411 4.531 4.120 0.000 0.000 0.295 247 V C -0.012 176.120 176.094 0.064 0.000 1.025 247 V CA -0.469 61.858 62.300 0.045 0.000 0.859 247 V CB 1.397 33.251 31.823 0.052 0.000 0.988 247 V HN 1.013 nan 8.190 nan 0.000 0.431 248 E N 3.317 123.542 120.200 0.040 0.000 2.183 248 E HA 0.770 5.120 4.350 0.000 0.000 0.271 248 E C -0.718 175.882 176.600 0.001 0.000 0.919 248 E CA -0.674 55.755 56.400 0.049 0.000 0.781 248 E CB 1.912 31.658 29.700 0.075 0.000 1.140 248 E HN 0.828 nan 8.360 nan 0.000 0.402 249 A N 3.030 125.846 122.820 -0.006 0.000 2.330 249 A HA 0.667 4.987 4.320 0.000 0.000 0.327 249 A C -0.736 176.799 177.584 -0.082 0.000 1.155 249 A CA -0.458 51.551 52.037 -0.047 0.000 0.803 249 A CB 1.795 20.779 19.000 -0.026 0.000 1.208 249 A HN 0.452 nan 8.150 nan 0.000 0.477 250 S N 0.141 115.792 115.700 -0.081 0.000 2.596 250 S HA 0.803 5.273 4.470 0.000 0.000 0.270 250 S C -0.529 174.004 174.600 -0.110 0.000 1.155 250 S CA 0.407 58.537 58.200 -0.116 0.000 0.827 250 S CB 1.663 64.840 63.200 -0.039 0.000 1.130 250 S HN 2.655 nan 8.310 nan 0.000 0.467 251 G N 0.646 109.359 108.800 -0.144 0.000 3.373 251 G HA2 0.442 4.402 3.960 0.000 0.000 0.685 251 G HA3 0.442 4.402 3.960 0.000 0.000 0.685 251 G C 0.844 175.660 174.900 -0.141 0.000 1.166 251 G CA 0.338 45.386 45.100 -0.087 0.000 1.063 251 G HN 2.093 nan 8.290 nan 0.000 0.481 252 G N 0.344 109.075 108.800 -0.115 0.000 2.160 252 G HA2 -0.182 3.778 3.960 0.000 0.000 0.251 252 G HA3 -0.182 3.778 3.960 0.000 0.000 0.251 252 G C 0.503 175.298 174.900 -0.175 0.000 1.008 252 G CA 0.578 45.625 45.100 -0.088 0.000 0.724 252 G HN 1.580 nan 8.290 nan 0.000 0.514 253 I N 1.752 122.131 120.570 -0.319 0.000 2.365 253 I HA 0.493 4.663 4.170 0.000 0.000 0.291 253 I C 1.025 177.041 176.117 -0.168 0.000 1.004 253 I CA 0.157 61.209 61.300 -0.413 0.000 1.311 253 I CB 1.372 38.995 38.000 -0.627 0.000 1.401 253 I HN 0.309 nan 8.210 nan 0.000 0.491 254 T N 2.471 116.978 114.554 -0.078 0.000 2.926 254 T HA 0.318 4.668 4.350 0.000 0.000 0.289 254 T C 0.613 175.308 174.700 -0.007 0.000 1.054 254 T CA -0.842 61.242 62.100 -0.028 0.000 1.015 254 T CB 1.706 70.576 68.868 0.004 0.000 1.167 254 T HN 0.407 nan 8.240 nan 0.000 0.526 255 L N 0.834 122.057 121.223 0.000 0.000 2.043 255 L HA -0.008 4.332 4.340 0.000 0.000 0.212 255 L C 2.037 178.921 176.870 0.023 0.000 1.075 255 L CA 2.420 57.266 54.840 0.010 0.000 0.752 255 L CB -1.070 40.995 42.059 0.011 0.000 0.891 255 L HN 0.958 nan 8.230 nan 0.000 0.432 256 D N -0.806 119.611 120.400 0.028 0.000 2.144 256 D HA -0.194 4.446 4.640 0.000 0.000 0.200 256 D C 1.686 178.018 176.300 0.053 0.000 0.978 256 D CA 1.307 55.327 54.000 0.034 0.000 0.833 256 D CB -0.111 40.707 40.800 0.030 0.000 0.961 256 D HN 0.666 nan 8.370 nan 0.000 0.470 257 N N -0.111 118.640 118.700 0.085 0.000 2.280 257 N HA -0.046 4.694 4.740 0.000 0.000 0.192 257 N C 1.599 177.245 175.510 0.226 0.000 1.109 257 N CA -0.037 53.103 53.050 0.149 0.000 0.855 257 N CB -0.426 38.195 38.487 0.224 0.000 0.974 257 N HN 0.186 nan 8.380 nan 0.000 0.482 258 L N 1.461 122.767 121.223 0.139 0.000 2.021 258 L HA -0.031 4.309 4.340 0.000 0.000 0.215 258 L C -0.916 175.997 176.870 0.072 0.000 1.074 258 L CA 2.171 57.073 54.840 0.104 0.000 0.760 258 L CB -1.594 40.471 42.059 0.009 0.000 0.889 258 L HN 0.061 nan 8.230 nan 0.000 0.433 259 P HA -0.200 nan 4.420 nan 0.000 0.218 259 P C 1.429 178.708 177.300 -0.035 0.000 1.146 259 P CA 1.525 64.617 63.100 -0.013 0.000 0.813 259 P CB -0.109 31.591 31.700 -0.000 0.000 0.778 260 Q N -2.148 117.639 119.800 -0.022 0.000 2.224 260 Q HA -0.086 4.254 4.340 0.000 0.000 0.203 260 Q C 1.438 177.333 176.000 -0.176 0.000 0.970 260 Q CA 1.115 56.836 55.803 -0.137 0.000 0.865 260 Q CB -0.437 28.153 28.738 -0.246 0.000 0.922 260 Q HN 0.331 nan 8.270 nan 0.000 0.445 261 F N -0.486 119.443 119.950 -0.035 0.000 2.743 261 F HA 0.042 4.569 4.527 0.000 0.000 0.297 261 F C 0.883 176.575 175.800 -0.181 0.000 1.131 261 F CA -0.458 57.488 58.000 -0.090 0.000 1.426 261 F CB 0.291 39.186 39.000 -0.174 0.000 1.116 261 F HN -0.050 nan 8.300 nan 0.000 0.583 262 C N 1.395 120.571 119.300 -0.206 0.000 2.632 262 C HA 0.623 5.083 4.460 0.000 0.000 0.415 262 C C 0.975 175.844 174.990 -0.201 0.000 1.332 262 C CA -0.314 58.344 59.018 -0.601 0.000 1.874 262 C CB -0.658 26.761 27.740 -0.535 0.000 2.596 262 C HN 0.578 nan 8.230 nan 0.000 0.590 263 G N 3.673 112.452 108.800 -0.034 0.000 2.601 263 G HA2 0.546 4.506 3.960 0.000 0.000 0.291 263 G HA3 0.546 4.506 3.960 0.000 0.000 0.291 263 G C -2.425 172.624 174.900 0.250 0.000 1.456 263 G CA -0.490 44.625 45.100 0.024 0.000 0.804 263 G HN 0.273 nan 8.290 nan 0.000 0.499 264 P HA -0.051 nan 4.420 nan 0.000 0.226 264 P C 0.515 177.698 177.300 -0.195 0.000 1.153 264 P CA 1.177 64.202 63.100 -0.126 0.000 0.777 264 P CB 0.102 31.592 31.700 -0.351 0.000 0.794 265 H N -1.238 117.945 119.070 0.189 0.000 2.542 265 H HA 0.220 4.776 4.556 0.000 0.000 0.283 265 H C 0.443 175.878 175.328 0.179 0.000 1.059 265 H CA -0.484 55.654 56.048 0.151 0.000 1.162 265 H CB 0.166 29.998 29.762 0.115 0.000 1.539 265 H HN 0.029 nan 8.280 nan 0.000 0.543 266 I N 1.292 122.081 120.570 0.365 0.000 2.354 266 I HA 0.072 4.242 4.170 0.000 0.000 0.292 266 I C 0.235 176.644 176.117 0.486 0.000 0.989 266 I CA -0.307 61.221 61.300 0.380 0.000 1.188 266 I CB 1.787 39.993 38.000 0.344 0.000 1.342 266 I HN 0.243 nan 8.210 nan 0.000 0.457 267 D N 4.132 124.703 120.400 0.285 0.000 2.323 267 D HA 0.107 4.747 4.640 0.000 0.000 0.218 267 D C 0.312 176.691 176.300 0.132 0.000 0.973 267 D CA 1.135 55.188 54.000 0.089 0.000 0.890 267 D CB 1.294 42.090 40.800 -0.007 0.000 1.011 267 D HN 0.217 nan 8.370 nan 0.000 0.499 268 V N 1.491 121.570 119.914 0.275 0.000 2.760 268 V HA 0.413 4.533 4.120 0.000 0.000 0.309 268 V C -0.522 175.722 176.094 0.250 0.000 1.077 268 V CA -0.702 61.741 62.300 0.238 0.000 0.910 268 V CB 2.924 34.745 31.823 -0.002 0.000 1.008 268 V HN -0.091 nan 8.190 nan 0.000 0.424 269 I N 3.666 124.380 120.570 0.241 0.000 2.439 269 I HA 0.446 4.616 4.170 0.000 0.000 0.283 269 I C 0.043 176.147 176.117 -0.021 0.000 1.023 269 I CA -0.156 61.150 61.300 0.010 0.000 1.100 269 I CB 2.103 39.994 38.000 -0.181 0.000 1.238 269 I HN 0.735 nan 8.210 nan 0.000 0.445 270 S N 6.680 122.345 115.700 -0.057 0.000 2.525 270 S HA 0.804 5.274 4.470 0.000 0.000 0.290 270 S C -0.560 174.003 174.600 -0.061 0.000 1.152 270 S CA -0.832 57.343 58.200 -0.043 0.000 1.072 270 S CB 1.796 65.000 63.200 0.006 0.000 1.027 270 S HN 0.540 nan 8.310 nan 0.000 0.500 271 M N 2.824 122.401 119.600 -0.039 0.000 2.106 271 M HA 0.381 4.861 4.480 0.000 0.000 0.288 271 M C 1.215 177.502 176.300 -0.023 0.000 0.941 271 M CA -0.780 54.488 55.300 -0.053 0.000 0.934 271 M CB 2.102 34.670 32.600 -0.054 0.000 1.551 271 M HN 0.969 nan 8.290 nan 0.000 0.437 272 G N 2.760 111.544 108.800 -0.025 0.000 2.432 272 G HA2 -0.155 3.805 3.960 0.000 0.000 0.219 272 G HA3 -0.155 3.805 3.960 0.000 0.000 0.219 272 G C 1.209 176.104 174.900 -0.008 0.000 1.135 272 G CA 0.738 45.832 45.100 -0.010 0.000 0.767 272 G HN 0.678 nan 8.290 nan 0.000 0.550 273 M N 0.048 119.638 119.600 -0.017 0.000 2.267 273 M HA 0.033 4.513 4.480 0.000 0.000 0.263 273 M C 2.399 178.699 176.300 0.001 0.000 1.063 273 M CA 0.867 56.161 55.300 -0.010 0.000 1.090 273 M CB -0.332 32.258 32.600 -0.016 0.000 1.392 273 M HN 0.190 nan 8.290 nan 0.000 0.422 274 L N -0.473 120.751 121.223 0.002 0.000 2.191 274 L HA -0.187 4.153 4.340 0.000 0.000 0.212 274 L C 2.439 179.322 176.870 0.022 0.000 1.103 274 L CA 1.682 56.529 54.840 0.012 0.000 0.769 274 L CB -0.925 41.141 42.059 0.013 0.000 0.908 274 L HN 0.481 nan 8.230 nan 0.000 0.438 275 T N -6.142 108.425 114.554 0.021 0.000 2.969 275 T HA 0.031 4.381 4.350 0.000 0.000 0.250 275 T C 1.653 176.369 174.700 0.028 0.000 1.021 275 T CA -0.196 61.922 62.100 0.030 0.000 1.003 275 T CB 0.274 69.159 68.868 0.028 0.000 1.040 275 T HN 0.202 nan 8.240 nan 0.000 0.492 276 Q N 0.713 120.523 119.800 0.016 0.000 2.376 276 Q HA 0.455 4.795 4.340 0.000 0.000 0.206 276 Q C 1.180 177.185 176.000 0.008 0.000 0.921 276 Q CA 0.680 56.490 55.803 0.011 0.000 0.911 276 Q CB 0.430 29.171 28.738 0.004 0.000 1.032 276 Q HN 0.628 nan 8.270 nan 0.000 0.510 277 A N 0.046 122.872 122.820 0.010 0.000 2.676 277 A HA 0.569 4.889 4.320 0.000 0.000 0.258 277 A C -0.434 177.157 177.584 0.012 0.000 0.898 277 A CA -0.318 51.723 52.037 0.007 0.000 1.087 277 A CB 0.519 19.520 19.000 0.002 0.000 1.214 277 A HN 0.119 nan 8.150 nan 0.000 0.474 278 A N 1.525 124.357 122.820 0.020 0.000 2.253 278 A HA 0.703 5.023 4.320 0.000 0.000 0.316 278 A C -2.590 175.010 177.584 0.028 0.000 1.327 278 A CA -1.307 50.745 52.037 0.025 0.000 0.917 278 A CB -0.196 18.825 19.000 0.035 0.000 1.162 278 A HN 0.260 nan 8.150 nan 0.000 0.535 279 P HA 0.328 nan 4.420 nan 0.000 0.268 279 P C 0.202 177.522 177.300 0.033 0.000 1.205 279 P CA 0.028 63.140 63.100 0.020 0.000 0.771 279 P CB 0.766 32.472 31.700 0.010 0.000 0.858 280 A N 3.507 126.350 122.820 0.039 0.000 2.483 280 A HA 0.228 4.548 4.320 0.000 0.000 0.238 280 A C 0.292 177.906 177.584 0.050 0.000 1.070 280 A CA -0.251 51.827 52.037 0.068 0.000 0.770 280 A CB -0.335 18.707 19.000 0.071 0.000 1.008 280 A HN 0.539 nan 8.150 nan 0.000 0.497 281 L N 0.863 122.127 121.223 0.068 0.000 2.439 281 L HA 0.222 4.562 4.340 0.000 0.000 0.261 281 L C 0.144 176.952 176.870 -0.104 0.000 1.153 281 L CA -0.569 54.229 54.840 -0.070 0.000 0.808 281 L CB 0.591 42.539 42.059 -0.185 0.000 1.126 281 L HN 0.714 nan 8.230 nan 0.000 0.460 282 D N 1.213 121.482 120.400 -0.220 0.000 2.347 282 D HA 0.369 5.009 4.640 0.000 0.000 0.235 282 D C -1.139 175.016 176.300 -0.242 0.000 1.149 282 D CA 0.061 53.989 54.000 -0.120 0.000 0.850 282 D CB 0.280 41.036 40.800 -0.073 0.000 1.061 282 D HN 0.090 nan 8.370 nan 0.000 0.487 283 F N 1.290 121.317 119.950 0.129 0.000 2.546 283 F HA 0.464 4.991 4.527 0.000 0.000 0.320 283 F C 0.628 176.539 175.800 0.185 0.000 1.076 283 F CA -0.763 57.340 58.000 0.171 0.000 0.928 283 F CB 2.074 41.187 39.000 0.187 0.000 1.189 283 F HN 0.228 nan 8.300 nan 0.000 0.465 284 S N 2.028 117.997 115.700 0.448 0.000 2.599 284 S HA 0.829 5.299 4.470 0.000 0.000 0.287 284 S C -1.833 173.004 174.600 0.396 0.000 1.105 284 S CA -0.784 57.630 58.200 0.357 0.000 0.899 284 S CB 2.110 65.476 63.200 0.276 0.000 1.100 284 S HN 0.597 nan 8.310 nan 0.000 0.482 285 L N 1.605 123.020 121.223 0.321 0.000 2.343 285 L HA 0.625 4.965 4.340 0.000 0.000 0.278 285 L C -1.205 175.827 176.870 0.269 0.000 0.996 285 L CA -0.242 54.769 54.840 0.284 0.000 0.831 285 L CB 1.355 43.562 42.059 0.247 0.000 1.232 285 L HN 0.730 nan 8.230 nan 0.000 0.413 286 K N 6.241 126.840 120.400 0.331 0.000 2.425 286 K HA 0.365 4.686 4.320 0.000 0.000 0.259 286 K C -0.908 175.877 176.600 0.308 0.000 0.978 286 K CA -0.698 55.784 56.287 0.326 0.000 0.883 286 K CB 2.273 35.031 32.500 0.429 0.000 1.110 286 K HN 0.612 nan 8.250 nan 0.000 0.436 287 L N 4.543 125.873 121.223 0.179 0.000 2.477 287 L HA 0.066 4.406 4.340 0.000 0.000 0.272 287 L C 0.451 177.415 176.870 0.156 0.000 1.157 287 L CA 0.156 55.040 54.840 0.073 0.000 0.889 287 L CB 0.007 42.081 42.059 0.024 0.000 1.158 287 L HN 0.676 nan 8.230 nan 0.000 0.473 288 F N 2.923 122.914 119.950 0.069 0.000 2.784 288 F HA 0.677 5.204 4.527 0.000 0.000 0.323 288 F C 0.183 176.014 175.800 0.051 0.000 1.085 288 F CA -0.133 57.911 58.000 0.074 0.000 1.196 288 F CB -0.023 39.040 39.000 0.105 0.000 1.053 288 F HN 0.327 nan 8.300 nan 0.000 0.578 289 A N 1.128 123.786 122.820 -0.270 0.000 2.520 289 A HA 0.719 5.039 4.320 0.000 0.000 0.298 289 A C -1.340 176.151 177.584 -0.156 0.000 1.051 289 A CA -0.740 51.214 52.037 -0.139 0.000 0.690 289 A CB 1.696 20.616 19.000 -0.134 0.000 1.281 289 A HN 0.256 nan 8.150 nan 0.000 0.402 290 K N 1.694 122.054 120.400 -0.066 0.000 2.535 290 K HA 0.600 4.920 4.320 0.000 0.000 0.251 290 K C -0.737 175.847 176.600 -0.027 0.000 0.942 290 K CA -0.154 56.102 56.287 -0.053 0.000 0.798 290 K CB 1.507 33.990 32.500 -0.030 0.000 1.267 290 K HN 1.017 nan 8.250 nan 0.000 0.434 291 E N 0.131 120.315 120.200 -0.028 0.000 6.173 291 E HA 0.070 4.420 4.350 0.000 0.000 0.553 291 E C -1.914 174.677 176.600 -0.015 0.000 1.433 291 E CA 0.278 56.669 56.400 -0.014 0.000 3.033 291 E CB -0.464 29.233 29.700 -0.005 0.000 0.790 291 E HN 0.685 nan 8.360 nan 0.000 0.262 292 V N 0.000 119.909 119.914 -0.008 0.000 2.409 292 V HA 0.000 4.120 4.120 0.000 0.000 0.244 292 V CA 0.000 nan 62.300 nan 0.000 1.235 292 V CB 0.000 nan 31.823 nan 0.000 1.184 292 V HN 0.000 nan 8.190 nan 0.000 0.556