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 1uls_1_G DATA FIRST_RESID 2 DATA SEQUENCE RLKDKAVLIT GAAHGIGRAT LELFAKEGAR LVACDIEEGP LREAAEAVGA DATA SEQUENCE HPVVXDVADP ASVERGFAEA LAHLGRLDGV VHYAGITRDN FHWKXPLEDW DATA SEQUENCE ELVLRVNLTG SFLVAKAASE AXREKNPGSI VLTASRVYLG NLGQANYAAS DATA SEQUENCE XAGVVGLTRT LALELGRWGI RVNTLAPGFI ETRXTAKVPE KVREKAIAAT DATA SEQUENCE PLGRAGKPLE VAYAALFLLS DESSFITGQV LFVDGGRTIG AAPA 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 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.257 176.300 -0.072 0.000 0.893 2 R CA 0.000 56.089 56.100 -0.018 0.000 0.921 2 R CB 0.000 30.306 30.300 0.010 0.000 0.687 3 L N 1.615 122.783 121.223 -0.092 0.000 3.202 3 L HA 0.307 4.648 4.340 0.001 0.000 0.278 3 L C 0.078 176.901 176.870 -0.078 0.000 1.268 3 L CA -0.253 54.506 54.840 -0.134 0.000 1.034 3 L CB 0.786 42.696 42.059 -0.248 0.000 1.407 3 L HN -0.012 nan 8.230 nan 0.000 0.581 4 K N 1.644 122.015 120.400 -0.048 0.000 2.405 4 K HA -0.176 4.145 4.320 0.001 0.000 0.273 4 K C 0.455 177.036 176.600 -0.031 0.000 1.116 4 K CA 0.688 56.957 56.287 -0.029 0.000 1.155 4 K CB 0.041 32.529 32.500 -0.019 0.000 0.858 4 K HN 0.162 nan 8.250 nan 0.000 0.477 5 D N 2.340 122.725 120.400 -0.026 0.000 3.077 5 D HA -0.176 4.464 4.640 0.001 0.000 0.217 5 D C -0.979 175.300 176.300 -0.034 0.000 1.162 5 D CA 1.177 55.161 54.000 -0.027 0.000 0.943 5 D CB -0.374 40.411 40.800 -0.026 0.000 1.122 5 D HN 0.619 nan 8.370 nan 0.000 0.413 6 K N 0.120 120.494 120.400 -0.044 0.000 2.322 6 K HA 0.538 4.859 4.320 0.001 0.000 0.283 6 K C 0.164 176.741 176.600 -0.038 0.000 1.042 6 K CA 0.129 56.385 56.287 -0.051 0.000 0.958 6 K CB 1.186 33.638 32.500 -0.080 0.000 0.984 6 K HN 0.184 nan 8.250 nan 0.000 0.473 7 A N 3.309 126.109 122.820 -0.032 0.000 2.347 7 A HA 0.350 4.670 4.320 0.001 0.000 0.287 7 A C -0.326 177.251 177.584 -0.012 0.000 1.199 7 A CA -0.461 51.564 52.037 -0.020 0.000 0.851 7 A CB 0.189 19.171 19.000 -0.030 0.000 1.118 7 A HN 0.422 nan 8.150 nan 0.000 0.525 8 V N 3.869 123.792 119.914 0.014 0.000 2.735 8 V HA 0.546 4.667 4.120 0.001 0.000 0.310 8 V C -0.298 175.819 176.094 0.037 0.000 1.061 8 V CA -0.572 61.752 62.300 0.040 0.000 0.913 8 V CB 1.784 33.672 31.823 0.108 0.000 1.005 8 V HN 0.877 nan 8.190 nan 0.000 0.428 9 L N 5.165 126.389 121.223 0.002 0.000 2.346 9 L HA 0.769 5.110 4.340 0.001 0.000 0.274 9 L C -1.295 175.569 176.870 -0.010 0.000 1.007 9 L CA -0.363 54.444 54.840 -0.055 0.000 0.818 9 L CB 1.713 43.637 42.059 -0.225 0.000 1.284 9 L HN 0.604 nan 8.230 nan 0.000 0.424 10 I N 2.873 123.439 120.570 -0.007 0.000 2.582 10 I HA 0.396 4.566 4.170 0.001 0.000 0.292 10 I C -0.250 175.885 176.117 0.030 0.000 1.066 10 I CA -0.540 60.761 61.300 0.003 0.000 1.053 10 I CB 2.476 40.487 38.000 0.018 0.000 1.241 10 I HN 0.632 nan 8.210 nan 0.000 0.421 11 T N 0.468 115.053 114.554 0.052 0.000 2.943 11 T HA 0.578 4.928 4.350 0.001 0.000 0.284 11 T C 0.916 175.668 174.700 0.086 0.000 1.015 11 T CA -0.013 62.139 62.100 0.087 0.000 1.042 11 T CB 1.653 70.634 68.868 0.189 0.000 1.055 11 T HN 1.122 nan 8.240 nan 0.000 0.500 12 G N 0.334 109.167 108.800 0.055 0.000 2.283 12 G HA2 -0.119 3.842 3.960 0.001 0.000 0.280 12 G HA3 -0.119 3.842 3.960 0.001 0.000 0.280 12 G C 0.928 175.905 174.900 0.127 0.000 1.029 12 G CA 0.197 45.312 45.100 0.025 0.000 0.840 12 G HN 1.508 nan 8.290 nan 0.000 0.505 13 A N -0.864 122.027 122.820 0.119 0.000 2.119 13 A HA 0.502 4.823 4.320 0.001 0.000 0.217 13 A C 2.544 180.161 177.584 0.054 0.000 1.153 13 A CA 1.793 53.878 52.037 0.080 0.000 0.692 13 A CB -0.226 18.801 19.000 0.045 0.000 0.799 13 A HN 1.731 nan 8.150 nan 0.000 0.458 14 A N -1.036 121.845 122.820 0.100 0.000 2.178 14 A HA 0.277 4.597 4.320 0.001 0.000 0.211 14 A C 0.810 178.353 177.584 -0.069 0.000 1.157 14 A CA 0.114 52.151 52.037 0.002 0.000 0.780 14 A CB -0.298 18.677 19.000 -0.042 0.000 0.828 14 A HN 0.579 nan 8.150 nan 0.000 0.476 15 H N -2.229 116.795 119.070 -0.077 0.000 2.505 15 H HA 0.478 5.034 4.556 0.001 0.000 0.358 15 H C 1.849 177.093 175.328 -0.139 0.000 1.304 15 H CA 0.275 56.263 56.048 -0.100 0.000 1.393 15 H CB 0.281 29.981 29.762 -0.102 0.000 1.591 15 H HN 0.108 nan 8.280 nan 0.000 0.595 16 G N 0.471 109.262 108.800 -0.015 0.000 2.764 16 G HA2 -0.316 3.644 3.960 0.001 0.000 0.219 16 G HA3 -0.316 3.644 3.960 0.001 0.000 0.219 16 G C 1.526 176.325 174.900 -0.169 0.000 1.259 16 G CA 1.799 46.840 45.100 -0.097 0.000 0.793 16 G HN 0.622 nan 8.290 nan 0.000 0.633 17 I N 1.292 121.704 120.570 -0.263 0.000 2.226 17 I HA -0.078 4.093 4.170 0.001 0.000 0.245 17 I C 3.123 178.912 176.117 -0.547 0.000 1.100 17 I CA 1.015 62.046 61.300 -0.448 0.000 1.374 17 I CB -0.665 36.946 38.000 -0.649 0.000 1.057 17 I HN 0.305 nan 8.210 nan 0.000 0.413 18 G N 0.852 109.370 108.800 -0.470 0.000 2.421 18 G HA2 -0.308 3.652 3.960 0.001 0.000 0.216 18 G HA3 -0.308 3.652 3.960 0.001 0.000 0.216 18 G C 1.744 176.573 174.900 -0.119 0.000 1.171 18 G CA 0.824 45.809 45.100 -0.191 0.000 0.775 18 G HN 0.192 nan 8.290 nan 0.000 0.543 19 R N 1.260 121.694 120.500 -0.110 0.000 2.081 19 R HA 0.092 4.433 4.340 0.001 0.000 0.235 19 R C 2.706 178.935 176.300 -0.118 0.000 1.131 19 R CA 1.864 57.909 56.100 -0.092 0.000 0.960 19 R CB -0.962 29.289 30.300 -0.081 0.000 0.856 19 R HN 0.242 nan 8.270 nan 0.000 0.436 20 A N -1.007 121.724 122.820 -0.150 0.000 1.972 20 A HA -0.102 4.219 4.320 0.001 0.000 0.219 20 A C 2.121 179.587 177.584 -0.197 0.000 1.169 20 A CA 1.944 53.890 52.037 -0.151 0.000 0.635 20 A CB -0.809 18.101 19.000 -0.149 0.000 0.810 20 A HN 0.470 nan 8.150 nan 0.000 0.446 21 T N 0.092 114.492 114.554 -0.256 0.000 2.904 21 T HA 0.017 4.368 4.350 0.001 0.000 0.267 21 T C 1.792 176.216 174.700 -0.460 0.000 1.059 21 T CA 0.994 62.831 62.100 -0.439 0.000 1.137 21 T CB -0.250 68.385 68.868 -0.389 0.000 0.879 21 T HN 0.343 nan 8.240 nan 0.000 0.467 22 L N 0.719 121.805 121.223 -0.229 0.000 2.017 22 L HA -0.125 4.215 4.340 0.001 0.000 0.208 22 L C 2.738 179.584 176.870 -0.040 0.000 1.073 22 L CA 1.586 56.364 54.840 -0.103 0.000 0.745 22 L CB -0.416 41.611 42.059 -0.053 0.000 0.894 22 L HN 0.345 nan 8.230 nan 0.000 0.432 23 E N -0.151 120.012 120.200 -0.061 0.000 2.038 23 E HA -0.294 4.056 4.350 0.001 0.000 0.195 23 E C 2.248 178.846 176.600 -0.004 0.000 1.000 23 E CA 1.280 57.662 56.400 -0.030 0.000 0.803 23 E CB -0.178 29.493 29.700 -0.048 0.000 0.750 23 E HN 0.400 nan 8.360 nan 0.000 0.448 24 L N 0.182 121.380 121.223 -0.040 0.000 1.994 24 L HA -0.192 4.148 4.340 0.001 0.000 0.208 24 L C 2.313 179.316 176.870 0.223 0.000 1.071 24 L CA 1.377 56.222 54.840 0.008 0.000 0.745 24 L CB -0.220 41.772 42.059 -0.111 0.000 0.892 24 L HN 0.148 nan 8.230 nan 0.000 0.431 25 F N 0.209 120.132 119.950 -0.045 0.000 2.216 25 F HA -0.150 4.377 4.527 0.001 0.000 0.300 25 F C 2.625 178.421 175.800 -0.007 0.000 1.085 25 F CA 0.748 58.739 58.000 -0.016 0.000 1.326 25 F CB -1.407 37.592 39.000 -0.001 0.000 1.027 25 F HN 0.133 nan 8.300 nan 0.000 0.497 26 A N 0.186 123.117 122.820 0.185 0.000 1.898 26 A HA -0.181 4.139 4.320 0.001 0.000 0.216 26 A C 2.276 179.903 177.584 0.072 0.000 1.181 26 A CA 1.388 53.486 52.037 0.102 0.000 0.620 26 A CB -0.547 18.494 19.000 0.068 0.000 0.819 26 A HN 0.317 nan 8.150 nan 0.000 0.442 27 K N -0.137 120.304 120.400 0.068 0.000 2.147 27 K HA -0.082 4.238 4.320 0.001 0.000 0.205 27 K C 1.064 177.693 176.600 0.049 0.000 1.049 27 K CA 1.095 57.413 56.287 0.051 0.000 0.936 27 K CB -0.048 32.481 32.500 0.048 0.000 0.722 27 K HN 0.295 nan 8.250 nan 0.000 0.446 28 E N 0.039 120.273 120.200 0.056 0.000 2.485 28 E HA -0.006 4.345 4.350 0.001 0.000 0.194 28 E C 0.853 177.452 176.600 -0.002 0.000 1.098 28 E CA 0.414 56.828 56.400 0.023 0.000 0.878 28 E CB 0.211 29.907 29.700 -0.007 0.000 0.939 28 E HN 0.514 nan 8.360 nan 0.000 0.503 29 G N 0.849 109.659 108.800 0.016 0.000 2.143 29 G HA2 -0.299 3.661 3.960 0.001 0.000 0.248 29 G HA3 -0.299 3.661 3.960 0.001 0.000 0.248 29 G C 0.493 175.393 174.900 -0.000 0.000 0.991 29 G CA 0.271 45.376 45.100 0.007 0.000 0.689 29 G HN 0.519 nan 8.290 nan 0.000 0.522 30 A N -0.416 122.409 122.820 0.008 0.000 2.332 30 A HA 0.780 5.100 4.320 0.001 0.000 0.258 30 A C 0.705 178.312 177.584 0.038 0.000 1.087 30 A CA -0.157 51.884 52.037 0.006 0.000 0.802 30 A CB 0.419 19.425 19.000 0.010 0.000 1.042 30 A HN 0.481 nan 8.150 nan 0.000 0.489 31 R N 1.032 121.550 120.500 0.030 0.000 2.233 31 R HA 0.431 4.772 4.340 0.001 0.000 0.334 31 R C -1.128 175.219 176.300 0.079 0.000 1.037 31 R CA 0.020 56.150 56.100 0.049 0.000 0.920 31 R CB 0.437 30.743 30.300 0.009 0.000 1.137 31 R HN 0.622 nan 8.270 nan 0.000 0.492 32 L N 2.389 123.676 121.223 0.106 0.000 2.343 32 L HA 0.529 4.870 4.340 0.001 0.000 0.275 32 L C -0.288 176.643 176.870 0.101 0.000 1.056 32 L CA -1.033 53.870 54.840 0.106 0.000 0.804 32 L CB 1.714 43.839 42.059 0.109 0.000 1.203 32 L HN 0.204 nan 8.230 nan 0.000 0.440 33 V N 2.001 121.952 119.914 0.061 0.000 2.443 33 V HA 0.571 4.691 4.120 0.001 0.000 0.293 33 V C -0.025 176.071 176.094 0.004 0.000 1.021 33 V CA -0.578 61.741 62.300 0.032 0.000 0.848 33 V CB 1.569 33.385 31.823 -0.012 0.000 0.998 33 V HN 0.831 nan 8.190 nan 0.000 0.424 34 A N 4.351 127.169 122.820 -0.003 0.000 2.274 34 A HA 0.683 5.004 4.320 0.001 0.000 0.309 34 A C -0.329 177.245 177.584 -0.017 0.000 1.226 34 A CA -0.250 51.782 52.037 -0.008 0.000 0.853 34 A CB 0.559 19.551 19.000 -0.014 0.000 1.146 34 A HN 0.828 nan 8.150 nan 0.000 0.518 35 C N 2.257 121.558 119.300 0.001 0.000 2.408 35 C HA 0.869 5.330 4.460 0.001 0.000 0.321 35 C C -0.348 174.668 174.990 0.043 0.000 1.245 35 C CA -0.356 58.669 59.018 0.012 0.000 1.523 35 C CB 1.046 28.794 27.740 0.012 0.000 2.178 35 C HN 0.990 nan 8.230 nan 0.000 0.488 36 D N 0.226 120.652 120.400 0.044 0.000 2.671 36 D HA 0.250 4.890 4.640 0.001 0.000 0.273 36 D C 0.195 176.531 176.300 0.060 0.000 1.264 36 D CA -0.607 53.437 54.000 0.073 0.000 0.788 36 D CB 1.301 42.165 40.800 0.107 0.000 1.324 36 D HN 0.299 nan 8.370 nan 0.000 0.424 37 I N 0.921 121.540 120.570 0.081 0.000 2.353 37 I HA -0.013 4.158 4.170 0.001 0.000 0.248 37 I C 0.328 176.467 176.117 0.036 0.000 1.119 37 I CA 1.324 62.659 61.300 0.059 0.000 1.417 37 I CB 0.175 38.217 38.000 0.069 0.000 1.078 37 I HN 0.245 nan 8.210 nan 0.000 0.421 38 E N 0.706 120.924 120.200 0.030 0.000 2.081 38 E HA 0.058 4.409 4.350 0.001 0.000 0.276 38 E C 0.637 177.228 176.600 -0.015 0.000 0.950 38 E CA -0.098 56.303 56.400 0.001 0.000 0.776 38 E CB 1.173 30.864 29.700 -0.014 0.000 1.094 38 E HN 0.230 nan 8.360 nan 0.000 0.402 39 E N 3.457 123.646 120.200 -0.018 0.000 2.070 39 E HA -0.231 4.119 4.350 0.001 0.000 0.197 39 E C 1.785 178.361 176.600 -0.040 0.000 1.004 39 E CA 1.719 58.101 56.400 -0.031 0.000 0.805 39 E CB -0.062 29.620 29.700 -0.030 0.000 0.744 39 E HN 0.748 nan 8.360 nan 0.000 0.451 40 G N 1.484 110.262 108.800 -0.037 0.000 2.628 40 G HA2 -0.250 3.711 3.960 0.001 0.000 0.217 40 G HA3 -0.250 3.711 3.960 0.001 0.000 0.217 40 G C -0.572 174.299 174.900 -0.050 0.000 1.240 40 G CA 1.338 46.413 45.100 -0.041 0.000 0.792 40 G HN 0.428 nan 8.290 nan 0.000 0.593 41 P HA 0.010 nan 4.420 nan 0.000 0.230 41 P C 1.933 179.193 177.300 -0.067 0.000 1.158 41 P CA 0.468 63.525 63.100 -0.072 0.000 0.769 41 P CB 0.047 31.688 31.700 -0.100 0.000 0.807 42 L N -0.084 121.107 121.223 -0.054 0.000 2.068 42 L HA -0.039 4.301 4.340 0.001 0.000 0.204 42 L C 2.712 179.547 176.870 -0.059 0.000 1.076 42 L CA 1.279 56.091 54.840 -0.047 0.000 0.753 42 L CB -0.251 41.786 42.059 -0.036 0.000 0.910 42 L HN -0.111 nan 8.230 nan 0.000 0.439 43 R N -0.189 120.272 120.500 -0.065 0.000 2.105 43 R HA -0.238 4.103 4.340 0.001 0.000 0.239 43 R C 2.058 178.321 176.300 -0.061 0.000 1.135 43 R CA 1.633 57.689 56.100 -0.073 0.000 0.967 43 R CB -0.393 29.865 30.300 -0.070 0.000 0.861 43 R HN 0.511 nan 8.270 nan 0.000 0.442 44 E N 0.924 121.092 120.200 -0.054 0.000 2.031 44 E HA -0.188 4.162 4.350 0.001 0.000 0.193 44 E C 2.014 178.587 176.600 -0.046 0.000 0.994 44 E CA 1.236 57.608 56.400 -0.048 0.000 0.800 44 E CB -0.036 29.635 29.700 -0.049 0.000 0.752 44 E HN 0.346 nan 8.360 nan 0.000 0.447 45 A N 1.130 123.920 122.820 -0.050 0.000 1.902 45 A HA -0.093 4.227 4.320 0.001 0.000 0.217 45 A C 2.346 179.908 177.584 -0.038 0.000 1.181 45 A CA 1.859 53.869 52.037 -0.045 0.000 0.623 45 A CB -0.673 18.298 19.000 -0.047 0.000 0.818 45 A HN 0.417 nan 8.150 nan 0.000 0.443 46 A N -0.280 122.515 122.820 -0.043 0.000 1.873 46 A HA -0.140 4.180 4.320 0.001 0.000 0.215 46 A C 1.930 179.494 177.584 -0.032 0.000 1.186 46 A CA 1.578 53.591 52.037 -0.040 0.000 0.616 46 A CB -0.565 18.395 19.000 -0.068 0.000 0.823 46 A HN 0.596 nan 8.150 nan 0.000 0.442 47 E N -0.263 119.913 120.200 -0.040 0.000 2.118 47 E HA -0.135 4.215 4.350 0.001 0.000 0.195 47 E C 2.169 178.759 176.600 -0.017 0.000 0.992 47 E CA 0.924 57.306 56.400 -0.029 0.000 0.804 47 E CB -0.284 29.395 29.700 -0.034 0.000 0.741 47 E HN 0.608 nan 8.360 nan 0.000 0.458 48 A N 0.476 123.283 122.820 -0.021 0.000 2.125 48 A HA -0.100 4.221 4.320 0.001 0.000 0.219 48 A C 2.113 179.692 177.584 -0.008 0.000 1.156 48 A CA 0.987 53.014 52.037 -0.016 0.000 0.671 48 A CB 0.112 19.099 19.000 -0.022 0.000 0.794 48 A HN 0.195 nan 8.150 nan 0.000 0.459 49 V N -1.962 117.950 119.914 -0.004 0.000 3.432 49 V HA 0.403 4.523 4.120 0.001 0.000 0.298 49 V C 1.326 177.432 176.094 0.020 0.000 1.464 49 V CA 0.948 63.253 62.300 0.008 0.000 1.046 49 V CB 0.028 31.855 31.823 0.007 0.000 0.887 49 V HN 1.131 nan 8.190 nan 0.000 0.441 50 G N 1.008 109.818 108.800 0.017 0.000 2.147 50 G HA2 -0.133 3.828 3.960 0.001 0.000 0.244 50 G HA3 -0.133 3.828 3.960 0.001 0.000 0.244 50 G C 0.232 175.161 174.900 0.049 0.000 1.005 50 G CA 0.433 45.552 45.100 0.031 0.000 0.713 50 G HN 1.190 nan 8.290 nan 0.000 0.515 51 A N -0.121 122.719 122.820 0.032 0.000 2.279 51 A HA 0.684 5.005 4.320 0.001 0.000 0.303 51 A C 0.270 177.862 177.584 0.014 0.000 1.108 51 A CA -0.355 51.708 52.037 0.044 0.000 0.830 51 A CB 0.544 19.561 19.000 0.029 0.000 1.106 51 A HN 0.746 nan 8.150 nan 0.000 0.493 52 H N 2.916 121.913 119.070 -0.122 0.000 2.652 52 H HA 0.307 4.864 4.556 0.001 0.000 0.298 52 H C -2.486 172.732 175.328 -0.183 0.000 1.076 52 H CA -1.646 54.246 56.048 -0.259 0.000 1.360 52 H CB 1.118 30.453 29.762 -0.710 0.000 1.421 52 H HN 0.393 nan 8.280 nan 0.000 0.464 53 P HA 0.067 nan 4.420 nan 0.000 0.281 53 P C -0.948 176.172 177.300 -0.299 0.000 1.252 53 P CA -0.395 62.530 63.100 -0.291 0.000 0.778 53 P CB 1.662 33.221 31.700 -0.234 0.000 0.895 54 V N 4.816 124.659 119.914 -0.120 0.000 2.462 54 V HA 0.102 4.223 4.120 0.001 0.000 0.288 54 V C 0.802 176.880 176.094 -0.026 0.000 1.020 54 V CA -0.718 61.551 62.300 -0.052 0.000 0.857 54 V CB 1.751 33.577 31.823 0.005 0.000 1.013 54 V HN 0.316 nan 8.190 nan 0.000 0.431 58 V N 1.786 121.753 119.914 0.089 0.000 2.982 58 V HA 0.019 4.139 4.120 0.001 0.000 0.265 58 V C 1.747 177.883 176.094 0.070 0.000 1.122 58 V CA 1.972 64.335 62.300 0.104 0.000 1.143 58 V CB -0.739 31.206 31.823 0.204 0.000 0.726 58 V HN 0.472 nan 8.190 nan 0.000 0.507 59 A N -0.083 122.771 122.820 0.057 0.000 2.178 59 A HA 0.136 4.456 4.320 0.001 0.000 0.211 59 A C 1.063 178.667 177.584 0.033 0.000 1.157 59 A CA 0.739 52.802 52.037 0.042 0.000 0.780 59 A CB -0.241 18.780 19.000 0.035 0.000 0.828 59 A HN 0.609 nan 8.150 nan 0.000 0.476 60 D N -0.927 119.493 120.400 0.032 0.000 2.381 60 D HA 0.390 5.031 4.640 0.001 0.000 0.235 60 D C -2.108 174.202 176.300 0.016 0.000 1.068 60 D CA -2.237 51.778 54.000 0.025 0.000 0.832 60 D CB 1.752 42.568 40.800 0.026 0.000 1.101 60 D HN -0.117 nan 8.370 nan 0.000 0.515 61 P HA -0.156 nan 4.420 nan 0.000 0.215 61 P C 0.954 178.246 177.300 -0.013 0.000 1.157 61 P CA 1.787 64.880 63.100 -0.011 0.000 0.874 61 P CB 0.280 31.979 31.700 -0.002 0.000 0.790 62 A N -1.024 121.797 122.820 0.002 0.000 1.898 62 A HA -0.160 4.160 4.320 0.001 0.000 0.216 62 A C 2.513 180.109 177.584 0.020 0.000 1.181 62 A CA 2.046 54.087 52.037 0.006 0.000 0.620 62 A CB -1.602 17.404 19.000 0.010 0.000 0.819 62 A HN 0.191 nan 8.150 nan 0.000 0.442 63 S N -0.655 115.061 115.700 0.027 0.000 2.368 63 S HA -0.122 4.348 4.470 0.001 0.000 0.225 63 S C 1.914 176.554 174.600 0.067 0.000 1.030 63 S CA 1.604 59.829 58.200 0.043 0.000 0.999 63 S CB -0.431 62.794 63.200 0.042 0.000 0.844 63 S HN 0.283 nan 8.310 nan 0.000 0.459 64 V N 1.355 121.303 119.914 0.057 0.000 2.307 64 V HA -0.131 3.989 4.120 0.001 0.000 0.245 64 V C 2.486 178.645 176.094 0.109 0.000 1.045 64 V CA 2.216 64.570 62.300 0.090 0.000 1.024 64 V CB -0.727 31.085 31.823 -0.018 0.000 0.651 64 V HN 0.542 nan 8.190 nan 0.000 0.449 65 E N -0.108 120.103 120.200 0.018 0.000 2.038 65 E HA -0.240 4.110 4.350 0.001 0.000 0.195 65 E C 2.514 179.162 176.600 0.081 0.000 1.000 65 E CA 1.485 57.892 56.400 0.012 0.000 0.803 65 E CB -0.071 29.616 29.700 -0.021 0.000 0.750 65 E HN 0.472 nan 8.360 nan 0.000 0.448 66 R N -0.516 120.025 120.500 0.068 0.000 2.083 66 R HA -0.115 4.225 4.340 0.001 0.000 0.237 66 R C 2.523 178.880 176.300 0.094 0.000 1.137 66 R CA 1.133 57.273 56.100 0.066 0.000 0.951 66 R CB -0.656 29.673 30.300 0.047 0.000 0.851 66 R HN 0.261 nan 8.270 nan 0.000 0.434 67 G N 0.747 109.619 108.800 0.120 0.000 2.476 67 G HA2 -0.275 3.686 3.960 0.001 0.000 0.218 67 G HA3 -0.275 3.686 3.960 0.001 0.000 0.218 67 G C 1.139 176.097 174.900 0.097 0.000 1.164 67 G CA 0.776 45.942 45.100 0.109 0.000 0.768 67 G HN 0.181 nan 8.290 nan 0.000 0.560 68 F N 1.670 121.615 119.950 -0.008 0.000 2.234 68 F HA 0.152 4.680 4.527 0.001 0.000 0.299 68 F C 2.945 178.737 175.800 -0.013 0.000 1.087 68 F CA 0.672 58.663 58.000 -0.016 0.000 1.340 68 F CB -0.243 38.733 39.000 -0.039 0.000 1.031 68 F HN 0.248 nan 8.300 nan 0.000 0.500 69 A N -0.339 122.573 122.820 0.152 0.000 1.898 69 A HA -0.162 4.158 4.320 0.001 0.000 0.216 69 A C 2.181 179.790 177.584 0.042 0.000 1.181 69 A CA 1.564 53.647 52.037 0.078 0.000 0.620 69 A CB -0.619 18.414 19.000 0.056 0.000 0.819 69 A HN 0.377 nan 8.150 nan 0.000 0.442 70 E N -0.260 119.964 120.200 0.041 0.000 2.051 70 E HA -0.137 4.214 4.350 0.001 0.000 0.192 70 E C 2.393 178.986 176.600 -0.011 0.000 0.991 70 E CA 0.953 57.369 56.400 0.027 0.000 0.799 70 E CB -0.292 29.442 29.700 0.056 0.000 0.748 70 E HN 0.595 nan 8.360 nan 0.000 0.449 71 A N 1.486 124.281 122.820 -0.042 0.000 1.908 71 A HA -0.188 4.133 4.320 0.001 0.000 0.218 71 A C 2.153 179.708 177.584 -0.047 0.000 1.181 71 A CA 1.115 53.102 52.037 -0.083 0.000 0.627 71 A CB -0.499 18.364 19.000 -0.228 0.000 0.818 71 A HN 0.141 nan 8.150 nan 0.000 0.445 72 L N -0.909 120.296 121.223 -0.030 0.000 2.093 72 L HA -0.133 4.207 4.340 0.001 0.000 0.208 72 L C 2.986 179.840 176.870 -0.027 0.000 1.085 72 L CA 1.856 56.685 54.840 -0.018 0.000 0.755 72 L CB -1.617 40.449 42.059 0.012 0.000 0.904 72 L HN 0.479 nan 8.230 nan 0.000 0.435 73 A N -1.382 121.428 122.820 -0.017 0.000 1.969 73 A HA -0.237 4.084 4.320 0.001 0.000 0.218 73 A C 2.277 179.835 177.584 -0.042 0.000 1.169 73 A CA 1.402 53.426 52.037 -0.023 0.000 0.635 73 A CB -0.716 18.280 19.000 -0.007 0.000 0.810 73 A HN 0.520 nan 8.150 nan 0.000 0.445 74 H N -0.498 118.471 119.070 -0.168 0.000 2.384 74 H HA 0.147 4.703 4.556 0.001 0.000 0.300 74 H C 1.726 176.956 175.328 -0.164 0.000 1.057 74 H CA 1.379 57.284 56.048 -0.238 0.000 1.370 74 H CB 0.057 29.516 29.762 -0.505 0.000 1.417 74 H HN 0.419 nan 8.280 nan 0.000 0.527 75 L N -0.871 120.265 121.223 -0.145 0.000 2.202 75 L HA 0.142 4.482 4.340 0.001 0.000 0.205 75 L C 2.002 178.798 176.870 -0.124 0.000 1.083 75 L CA 0.828 55.578 54.840 -0.150 0.000 0.790 75 L CB 0.021 42.049 42.059 -0.052 0.000 0.942 75 L HN 0.527 nan 8.230 nan 0.000 0.452 76 G N 1.104 109.852 108.800 -0.087 0.000 2.176 76 G HA2 -0.281 3.680 3.960 0.001 0.000 0.253 76 G HA3 -0.281 3.680 3.960 0.001 0.000 0.253 76 G C 0.368 175.239 174.900 -0.050 0.000 0.979 76 G CA 0.509 45.568 45.100 -0.068 0.000 0.641 76 G HN 0.543 nan 8.290 nan 0.000 0.530 77 R N -1.663 118.810 120.500 -0.045 0.000 2.829 77 R HA 0.632 4.972 4.340 0.001 0.000 0.283 77 R C -2.312 173.971 176.300 -0.027 0.000 1.013 77 R CA -1.080 55.001 56.100 -0.033 0.000 0.848 77 R CB 0.295 30.573 30.300 -0.035 0.000 1.291 77 R HN 0.452 nan 8.270 nan 0.000 0.496 78 L N 1.704 122.918 121.223 -0.016 0.000 2.441 78 L HA 0.360 4.700 4.340 0.001 0.000 0.270 78 L C -0.373 176.491 176.870 -0.010 0.000 0.973 78 L CA -0.594 54.240 54.840 -0.010 0.000 0.842 78 L CB 2.168 44.237 42.059 0.017 0.000 1.239 78 L HN 0.789 nan 8.230 nan 0.000 0.406 79 D N 2.240 122.630 120.400 -0.017 0.000 2.338 79 D HA 0.192 4.832 4.640 0.001 0.000 0.208 79 D C 0.670 176.957 176.300 -0.021 0.000 0.997 79 D CA 0.555 54.542 54.000 -0.023 0.000 0.880 79 D CB 1.618 42.396 40.800 -0.036 0.000 0.980 79 D HN 0.637 nan 8.370 nan 0.000 0.509 80 G N -0.269 108.524 108.800 -0.012 0.000 2.632 80 G HA2 0.474 4.434 3.960 0.001 0.000 0.292 80 G HA3 0.474 4.434 3.960 0.001 0.000 0.292 80 G C -1.764 173.150 174.900 0.025 0.000 1.465 80 G CA -0.379 44.721 45.100 -0.001 0.000 0.824 80 G HN -0.067 nan 8.290 nan 0.000 0.509 81 V N 0.012 119.947 119.914 0.035 0.000 2.760 81 V HA 0.652 4.773 4.120 0.001 0.000 0.309 81 V C -0.619 175.487 176.094 0.021 0.000 1.077 81 V CA -0.708 61.618 62.300 0.043 0.000 0.910 81 V CB 2.026 33.897 31.823 0.081 0.000 1.008 81 V HN 0.719 nan 8.190 nan 0.000 0.424 82 V N 3.458 123.361 119.914 -0.019 0.000 2.407 82 V HA 0.415 4.536 4.120 0.001 0.000 0.291 82 V C -0.772 175.154 176.094 -0.279 0.000 1.018 82 V CA -0.661 61.529 62.300 -0.183 0.000 0.842 82 V CB 1.507 33.181 31.823 -0.248 0.000 0.996 82 V HN 0.943 nan 8.190 nan 0.000 0.426 83 H N 3.673 122.524 119.070 -0.364 0.000 2.519 83 H HA 0.483 5.039 4.556 0.001 0.000 0.316 83 H C -0.434 174.709 175.328 -0.308 0.000 1.065 83 H CA -0.150 55.747 56.048 -0.252 0.000 1.264 83 H CB 0.852 30.550 29.762 -0.106 0.000 1.413 83 H HN 0.638 nan 8.280 nan 0.000 0.465 84 Y N 2.697 122.766 120.300 -0.384 0.000 2.589 84 Y HA 0.333 4.884 4.550 0.001 0.000 0.271 84 Y C 1.492 177.125 175.900 -0.444 0.000 1.107 84 Y CA -0.076 57.821 58.100 -0.339 0.000 1.273 84 Y CB 0.393 38.734 38.460 -0.199 0.000 1.266 84 Y HN 0.718 nan 8.280 nan 0.000 0.504 85 A N 1.862 124.461 122.820 -0.369 0.000 2.592 85 A HA 0.325 4.645 4.320 0.001 0.000 0.250 85 A C 0.697 178.149 177.584 -0.221 0.000 1.017 85 A CA 1.516 53.384 52.037 -0.281 0.000 0.794 85 A CB -0.971 17.939 19.000 -0.150 0.000 0.917 85 A HN 0.469 nan 8.150 nan 0.000 0.515 86 G N 1.021 109.738 108.800 -0.138 0.000 2.601 86 G HA2 0.634 4.595 3.960 0.001 0.000 0.291 86 G HA3 0.634 4.595 3.960 0.001 0.000 0.291 86 G C -0.842 174.043 174.900 -0.024 0.000 1.456 86 G CA -0.110 44.973 45.100 -0.029 0.000 0.804 86 G HN 1.679 nan 8.290 nan 0.000 0.499 87 I N -1.980 118.608 120.570 0.031 0.000 3.095 87 I HA 0.934 5.104 4.170 0.001 0.000 0.310 87 I C -0.361 175.717 176.117 -0.065 0.000 1.196 87 I CA -1.098 60.185 61.300 -0.029 0.000 0.985 87 I CB 2.454 40.440 38.000 -0.023 0.000 1.250 87 I HN 0.735 nan 8.210 nan 0.000 0.446 88 T N 0.532 114.987 114.554 -0.166 0.000 2.916 88 T HA 0.746 5.097 4.350 0.001 0.000 0.292 88 T C -0.443 174.179 174.700 -0.129 0.000 1.055 88 T CA -0.799 61.151 62.100 -0.250 0.000 1.009 88 T CB 2.205 70.792 68.868 -0.468 0.000 1.118 88 T HN 0.788 nan 8.240 nan 0.000 0.497 89 R N 1.236 121.677 120.500 -0.098 0.000 2.837 89 R HA 0.326 4.666 4.340 0.001 0.000 0.245 89 R C -1.313 174.953 176.300 -0.057 0.000 1.712 89 R CA -0.406 55.661 56.100 -0.055 0.000 1.539 89 R CB -0.152 30.139 30.300 -0.015 0.000 1.490 89 R HN 0.720 nan 8.270 nan 0.000 0.667 90 D N 1.115 121.456 120.400 -0.098 0.000 2.423 90 D HA 0.207 4.848 4.640 0.001 0.000 0.238 90 D C -0.133 176.084 176.300 -0.139 0.000 1.142 90 D CA 0.795 54.718 54.000 -0.128 0.000 0.884 90 D CB 0.527 41.232 40.800 -0.159 0.000 1.199 90 D HN 0.259 nan 8.370 nan 0.000 0.438 91 N N 0.134 118.703 118.700 -0.218 0.000 4.919 91 N HA -0.003 4.738 4.740 0.001 0.000 0.180 91 N C -1.259 174.033 175.510 -0.362 0.000 1.062 91 N CA -0.524 52.374 53.050 -0.254 0.000 1.028 91 N CB 0.153 38.570 38.487 -0.116 0.000 1.574 91 N HN 0.111 nan 8.380 nan 0.000 0.679 92 F N 2.642 122.337 119.950 -0.424 0.000 2.545 92 F HA 0.042 4.570 4.527 0.001 0.000 0.348 92 F C 2.489 177.924 175.800 -0.607 0.000 1.163 92 F CA 0.039 57.624 58.000 -0.692 0.000 1.331 92 F CB 0.563 38.612 39.000 -1.586 0.000 1.138 92 F HN 0.561 nan 8.300 nan 0.000 0.602 93 H N 1.151 120.094 119.070 -0.211 0.000 2.390 93 H HA -0.254 4.302 4.556 0.001 0.000 0.298 93 H C 1.754 177.089 175.328 0.011 0.000 1.106 93 H CA 2.018 58.037 56.048 -0.049 0.000 1.297 93 H CB -1.329 28.463 29.762 0.049 0.000 1.375 93 H HN 0.856 nan 8.280 nan 0.000 0.509 94 W N 2.415 123.436 121.300 -0.466 0.000 2.525 94 W HA 0.254 4.914 4.660 0.001 0.000 0.259 94 W C 0.378 176.856 176.519 -0.068 0.000 1.253 94 W CA -0.447 56.742 57.345 -0.260 0.000 1.262 94 W CB 0.080 29.346 29.460 -0.324 0.000 1.122 94 W HN -0.081 nan 8.180 nan 0.000 0.607 98 L N 1.384 122.670 121.223 0.105 0.000 2.010 98 L HA -0.319 4.022 4.340 0.001 0.000 0.219 98 L C 2.404 179.391 176.870 0.196 0.000 1.077 98 L CA 2.891 57.818 54.840 0.144 0.000 0.773 98 L CB -0.123 41.992 42.059 0.093 0.000 0.892 98 L HN 0.680 nan 8.230 nan 0.000 0.436 99 E N -0.797 119.480 120.200 0.128 0.000 2.136 99 E HA -0.312 4.039 4.350 0.001 0.000 0.202 99 E C 1.591 178.255 176.600 0.108 0.000 1.019 99 E CA 1.898 58.361 56.400 0.105 0.000 0.819 99 E CB -0.489 29.253 29.700 0.070 0.000 0.739 99 E HN 0.519 nan 8.360 nan 0.000 0.458 100 D N 0.023 120.493 120.400 0.116 0.000 2.178 100 D HA -0.139 4.502 4.640 0.001 0.000 0.202 100 D C 1.353 177.729 176.300 0.126 0.000 0.974 100 D CA 0.921 54.979 54.000 0.097 0.000 0.841 100 D CB -0.440 40.411 40.800 0.085 0.000 0.953 100 D HN 0.429 nan 8.370 nan 0.000 0.478 101 W N 1.996 123.312 121.300 0.026 0.000 2.379 101 W HA -0.119 4.542 4.660 0.001 0.000 0.307 101 W C 1.416 177.955 176.519 0.033 0.000 1.200 101 W CA 1.100 58.465 57.345 0.033 0.000 1.297 101 W CB -0.084 29.397 29.460 0.035 0.000 1.140 101 W HN 0.009 nan 8.180 nan 0.000 0.507 102 E N 0.602 120.872 120.200 0.116 0.000 2.150 102 E HA -0.223 4.127 4.350 0.001 0.000 0.193 102 E C 2.070 178.635 176.600 -0.059 0.000 0.985 102 E CA 1.102 57.509 56.400 0.010 0.000 0.814 102 E CB -0.443 29.342 29.700 0.142 0.000 0.752 102 E HN 0.152 nan 8.360 nan 0.000 0.466 103 L N 1.253 122.462 121.223 -0.024 0.000 2.005 103 L HA -0.143 4.198 4.340 0.001 0.000 0.207 103 L C 2.482 179.316 176.870 -0.060 0.000 1.072 103 L CA 1.527 56.352 54.840 -0.025 0.000 0.744 103 L CB -0.594 41.465 42.059 0.001 0.000 0.895 103 L HN 0.117 nan 8.230 nan 0.000 0.433 104 V N -2.462 117.396 119.914 -0.094 0.000 2.515 104 V HA -0.197 3.923 4.120 0.001 0.000 0.250 104 V C 2.332 178.337 176.094 -0.148 0.000 1.058 104 V CA 1.708 63.955 62.300 -0.089 0.000 1.064 104 V CB -0.776 31.012 31.823 -0.057 0.000 0.675 104 V HN 0.453 nan 8.190 nan 0.000 0.461 105 L N -0.219 120.839 121.223 -0.276 0.000 2.056 105 L HA -0.067 4.273 4.340 0.001 0.000 0.207 105 L C 3.029 179.818 176.870 -0.135 0.000 1.078 105 L CA 2.161 56.831 54.840 -0.282 0.000 0.749 105 L CB -0.539 41.267 42.059 -0.421 0.000 0.901 105 L HN 0.334 nan 8.230 nan 0.000 0.433 106 R N -0.214 120.230 120.500 -0.094 0.000 2.066 106 R HA -0.131 4.210 4.340 0.001 0.000 0.232 106 R C 2.175 178.471 176.300 -0.007 0.000 1.131 106 R CA 1.459 57.539 56.100 -0.034 0.000 0.955 106 R CB -0.072 30.218 30.300 -0.016 0.000 0.851 106 R HN 0.131 nan 8.270 nan 0.000 0.432 107 V N 1.614 121.523 119.914 -0.008 0.000 2.323 107 V HA -0.192 3.928 4.120 0.001 0.000 0.244 107 V C 1.775 177.894 176.094 0.042 0.000 1.041 107 V CA 1.821 64.133 62.300 0.020 0.000 1.025 107 V CB -0.501 31.330 31.823 0.014 0.000 0.656 107 V HN 0.401 nan 8.190 nan 0.000 0.451 108 N N -0.117 118.593 118.700 0.017 0.000 2.148 108 N HA -0.046 4.695 4.740 0.001 0.000 0.186 108 N C 1.559 177.084 175.510 0.025 0.000 1.031 108 N CA 1.066 54.133 53.050 0.028 0.000 0.848 108 N CB -0.438 38.048 38.487 -0.001 0.000 1.005 108 N HN 0.299 nan 8.380 nan 0.000 0.427 109 L N 0.921 122.128 121.223 -0.027 0.000 2.071 109 L HA 0.085 4.425 4.340 0.001 0.000 0.201 109 L C 1.936 178.818 176.870 0.020 0.000 1.076 109 L CA 1.764 56.587 54.840 -0.029 0.000 0.755 109 L CB -1.246 40.762 42.059 -0.085 0.000 0.915 109 L HN 0.057 nan 8.230 nan 0.000 0.445 110 T N -0.364 114.198 114.554 0.014 0.000 2.833 110 T HA -0.085 4.266 4.350 0.001 0.000 0.269 110 T C 1.675 176.441 174.700 0.110 0.000 1.054 110 T CA 1.096 63.241 62.100 0.074 0.000 1.135 110 T CB -0.795 68.097 68.868 0.041 0.000 0.869 110 T HN 0.577 nan 8.240 nan 0.000 0.466 111 G N 1.032 109.876 108.800 0.073 0.000 2.440 111 G HA2 -0.210 3.750 3.960 0.001 0.000 0.218 111 G HA3 -0.210 3.750 3.960 0.001 0.000 0.218 111 G C 1.884 176.776 174.900 -0.013 0.000 1.154 111 G CA 1.091 46.235 45.100 0.073 0.000 0.767 111 G HN 0.490 nan 8.290 nan 0.000 0.552 112 S N 0.176 115.894 115.700 0.030 0.000 2.368 112 S HA -0.086 4.384 4.470 0.001 0.000 0.225 112 S C 1.883 176.401 174.600 -0.137 0.000 1.030 112 S CA 1.083 59.199 58.200 -0.140 0.000 0.999 112 S CB -0.350 62.874 63.200 0.040 0.000 0.844 112 S HN 0.411 nan 8.310 nan 0.000 0.459 113 F N 2.501 122.362 119.950 -0.149 0.000 2.102 113 F HA -0.073 4.455 4.527 0.001 0.000 0.298 113 F C 1.773 177.471 175.800 -0.170 0.000 1.105 113 F CA 1.243 59.161 58.000 -0.137 0.000 1.239 113 F CB -0.530 38.411 39.000 -0.097 0.000 0.991 113 F HN 0.096 nan 8.300 nan 0.000 0.474 114 L N -0.673 120.392 121.223 -0.263 0.000 2.046 114 L HA -0.224 4.117 4.340 0.001 0.000 0.208 114 L C 2.374 178.969 176.870 -0.458 0.000 1.077 114 L CA 1.174 55.785 54.840 -0.380 0.000 0.747 114 L CB -0.942 41.020 42.059 -0.162 0.000 0.896 114 L HN 0.035 nan 8.230 nan 0.000 0.432 115 V N -0.032 119.643 119.914 -0.399 0.000 2.358 115 V HA -0.238 3.883 4.120 0.001 0.000 0.246 115 V C 2.742 178.599 176.094 -0.396 0.000 1.047 115 V CA 1.719 63.781 62.300 -0.396 0.000 1.035 115 V CB -0.850 30.676 31.823 -0.494 0.000 0.658 115 V HN 0.459 nan 8.190 nan 0.000 0.452 116 A N -0.031 122.569 122.820 -0.368 0.000 1.902 116 A HA -0.264 4.056 4.320 0.001 0.000 0.217 116 A C 2.347 179.734 177.584 -0.328 0.000 1.181 116 A CA 2.216 54.091 52.037 -0.270 0.000 0.623 116 A CB -0.495 18.388 19.000 -0.195 0.000 0.818 116 A HN 0.525 nan 8.150 nan 0.000 0.443 117 K N -0.316 119.787 120.400 -0.496 0.000 2.026 117 K HA -0.102 4.219 4.320 0.001 0.000 0.208 117 K C 2.137 178.462 176.600 -0.459 0.000 1.048 117 K CA 1.322 57.298 56.287 -0.518 0.000 0.929 117 K CB -0.337 31.684 32.500 -0.798 0.000 0.713 117 K HN 0.355 nan 8.250 nan 0.000 0.439 118 A N 0.940 123.384 122.820 -0.627 0.000 1.898 118 A HA -0.049 4.271 4.320 0.001 0.000 0.216 118 A C 2.317 179.537 177.584 -0.606 0.000 1.181 118 A CA 1.718 53.261 52.037 -0.823 0.000 0.620 118 A CB -0.749 17.283 19.000 -1.612 0.000 0.819 118 A HN 0.488 nan 8.150 nan 0.000 0.442 119 A N -0.746 121.827 122.820 -0.412 0.000 1.902 119 A HA -0.101 4.219 4.320 0.001 0.000 0.217 119 A C 2.487 180.053 177.584 -0.030 0.000 1.181 119 A CA 2.167 54.241 52.037 0.062 0.000 0.623 119 A CB -0.938 18.132 19.000 0.117 0.000 0.818 119 A HN 0.577 nan 8.150 nan 0.000 0.443 120 S N -0.855 114.774 115.700 -0.118 0.000 2.356 120 S HA -0.191 4.279 4.470 0.001 0.000 0.223 120 S C 2.069 176.596 174.600 -0.122 0.000 1.032 120 S CA 1.564 59.702 58.200 -0.103 0.000 1.005 120 S CB -0.381 62.749 63.200 -0.116 0.000 0.867 120 S HN 0.556 nan 8.310 nan 0.000 0.449 121 E N 1.165 121.272 120.200 -0.156 0.000 2.160 121 E HA -0.024 4.326 4.350 0.001 0.000 0.195 121 E C 0.993 177.532 176.600 -0.102 0.000 0.991 121 E CA 0.800 57.112 56.400 -0.147 0.000 0.810 121 E CB -0.399 29.200 29.700 -0.168 0.000 0.742 121 E HN 0.603 nan 8.360 nan 0.000 0.466 125 E N 0.960 120.857 120.200 -0.505 0.000 3.370 125 E HA -0.318 4.033 4.350 0.001 0.000 0.291 125 E C 0.010 176.498 176.600 -0.186 0.000 0.916 125 E CA 1.428 57.581 56.400 -0.412 0.000 0.981 125 E CB -0.274 29.072 29.700 -0.590 0.000 1.498 125 E HN 0.469 nan 8.360 nan 0.000 0.452 126 K N 0.171 120.492 120.400 -0.132 0.000 2.325 126 K HA 0.176 4.496 4.320 0.001 0.000 0.203 126 K C 0.425 177.003 176.600 -0.038 0.000 1.128 126 K CA 1.167 57.408 56.287 -0.077 0.000 0.931 126 K CB 0.484 32.940 32.500 -0.074 0.000 1.125 126 K HN 0.384 nan 8.250 nan 0.000 0.487 127 N N -0.354 118.331 118.700 -0.025 0.000 3.265 127 N HA 0.186 4.927 4.740 0.001 0.000 0.235 127 N C -3.138 172.384 175.510 0.019 0.000 1.343 127 N CA -1.153 51.898 53.050 0.001 0.000 0.904 127 N CB 1.357 39.840 38.487 -0.008 0.000 1.492 127 N HN -0.253 nan 8.380 nan 0.000 0.504 128 P HA 0.391 nan 4.420 nan 0.000 0.271 128 P C -0.044 177.266 177.300 0.016 0.000 1.244 128 P CA 0.326 63.450 63.100 0.038 0.000 0.793 128 P CB 0.654 32.374 31.700 0.034 0.000 0.984 129 G N -1.345 107.463 108.800 0.015 0.000 2.495 129 G HA2 0.461 4.422 3.960 0.001 0.000 0.294 129 G HA3 0.461 4.422 3.960 0.001 0.000 0.294 129 G C -1.844 173.051 174.900 -0.009 0.000 1.397 129 G CA -0.343 44.756 45.100 -0.001 0.000 0.790 129 G HN 0.578 nan 8.290 nan 0.000 0.486 130 S N -0.822 114.867 115.700 -0.018 0.000 2.571 130 S HA 0.748 5.219 4.470 0.001 0.000 0.284 130 S C -0.930 173.661 174.600 -0.015 0.000 1.128 130 S CA -0.639 57.544 58.200 -0.027 0.000 0.970 130 S CB 0.820 63.990 63.200 -0.050 0.000 1.039 130 S HN 0.534 nan 8.310 nan 0.000 0.485 131 I N 4.225 124.785 120.570 -0.017 0.000 2.436 131 I HA 0.471 4.641 4.170 0.001 0.000 0.289 131 I C -0.987 175.117 176.117 -0.021 0.000 1.010 131 I CA -0.896 60.397 61.300 -0.013 0.000 1.098 131 I CB 2.096 40.086 38.000 -0.017 0.000 1.266 131 I HN 0.295 nan 8.210 nan 0.000 0.434 132 V N 7.354 127.256 119.914 -0.020 0.000 2.378 132 V HA 0.440 4.561 4.120 0.001 0.000 0.288 132 V C -0.009 176.059 176.094 -0.043 0.000 1.016 132 V CA -0.467 61.814 62.300 -0.032 0.000 0.840 132 V CB 1.710 33.517 31.823 -0.026 0.000 0.994 132 V HN 0.485 nan 8.190 nan 0.000 0.431 133 L N 3.826 125.032 121.223 -0.028 0.000 2.334 133 L HA 0.628 4.969 4.340 0.001 0.000 0.275 133 L C 0.206 177.068 176.870 -0.013 0.000 1.036 133 L CA -0.355 54.490 54.840 0.009 0.000 0.807 133 L CB 2.085 44.146 42.059 0.004 0.000 1.231 133 L HN 0.512 nan 8.230 nan 0.000 0.438 134 T N 1.774 116.333 114.554 0.008 0.000 2.756 134 T HA 0.589 4.939 4.350 0.001 0.000 0.290 134 T C 0.299 174.994 174.700 -0.007 0.000 0.985 134 T CA -0.347 61.765 62.100 0.020 0.000 0.955 134 T CB 1.800 70.735 68.868 0.112 0.000 0.930 134 T HN 0.748 nan 8.240 nan 0.000 0.451 135 A N 2.903 125.695 122.820 -0.048 0.000 3.804 135 A HA 0.968 5.289 4.320 0.001 0.000 0.174 135 A C 0.377 177.933 177.584 -0.045 0.000 1.510 135 A CA -0.482 51.494 52.037 -0.102 0.000 1.542 135 A CB 0.457 19.344 19.000 -0.189 0.000 1.611 135 A HN 0.821 nan 8.150 nan 0.000 0.626 136 S N -2.475 113.223 115.700 -0.004 0.000 2.614 136 S HA 0.286 4.757 4.470 0.001 0.000 0.280 136 S C 0.642 175.383 174.600 0.234 0.000 1.111 136 S CA 0.204 58.466 58.200 0.103 0.000 0.847 136 S CB 0.950 64.198 63.200 0.080 0.000 1.079 136 S HN 0.952 nan 8.310 nan 0.000 0.452 137 R N 2.183 122.854 120.500 0.285 0.000 2.139 137 R HA -0.052 4.288 4.340 0.001 0.000 0.243 137 R C 1.182 177.610 176.300 0.214 0.000 1.145 137 R CA 2.482 58.803 56.100 0.368 0.000 0.976 137 R CB -1.099 29.383 30.300 0.304 0.000 0.866 137 R HN 0.539 nan 8.270 nan 0.000 0.449 138 V N 2.074 122.103 119.914 0.192 0.000 3.186 138 V HA -0.204 3.916 4.120 0.001 0.000 0.270 138 V C 1.932 178.086 176.094 0.098 0.000 1.149 138 V CA 1.478 63.866 62.300 0.146 0.000 1.160 138 V CB -1.195 30.784 31.823 0.260 0.000 0.758 138 V HN 0.516 nan 8.190 nan 0.000 0.516 139 Y N -0.049 120.260 120.300 0.016 0.000 2.483 139 Y HA -0.057 4.494 4.550 0.001 0.000 0.291 139 Y C 1.583 177.510 175.900 0.045 0.000 1.143 139 Y CA 1.123 59.214 58.100 -0.015 0.000 1.289 139 Y CB -0.596 37.839 38.460 -0.043 0.000 0.983 139 Y HN 0.281 nan 8.280 nan 0.000 0.556 140 L N 1.231 122.241 121.223 -0.355 0.000 2.612 140 L HA 0.367 4.708 4.340 0.001 0.000 0.230 140 L C 0.807 177.620 176.870 -0.096 0.000 1.140 140 L CA 0.295 54.935 54.840 -0.334 0.000 0.896 140 L CB -0.639 41.210 42.059 -0.350 0.000 1.065 140 L HN 0.507 nan 8.230 nan 0.000 0.447 141 G N 0.832 109.622 108.800 -0.016 0.000 3.067 141 G HA2 -0.155 3.806 3.960 0.001 0.000 0.686 141 G HA3 -0.155 3.806 3.960 0.001 0.000 0.686 141 G C -1.215 173.707 174.900 0.036 0.000 1.119 141 G CA -0.800 44.317 45.100 0.028 0.000 0.790 141 G HN 0.253 nan 8.290 nan 0.000 0.605 142 N N 0.229 118.964 118.700 0.058 0.000 2.431 142 N HA 0.491 5.232 4.740 0.001 0.000 0.275 142 N C 0.032 175.563 175.510 0.035 0.000 1.091 142 N CA -0.870 52.211 53.050 0.051 0.000 0.922 142 N CB 1.382 39.912 38.487 0.072 0.000 1.666 142 N HN 0.693 nan 8.380 nan 0.000 0.484 143 L N 2.388 123.625 121.223 0.024 0.000 2.578 143 L HA 0.140 4.480 4.340 0.001 0.000 0.279 143 L C 1.559 178.313 176.870 -0.194 0.000 1.227 143 L CA 1.225 56.060 54.840 -0.008 0.000 0.900 143 L CB -0.066 42.026 42.059 0.056 0.000 1.144 143 L HN 1.017 nan 8.230 nan 0.000 0.496 144 G N 2.700 111.278 108.800 -0.370 0.000 2.168 144 G HA2 -0.303 3.658 3.960 0.001 0.000 0.263 144 G HA3 -0.303 3.658 3.960 0.001 0.000 0.263 144 G C 0.496 175.255 174.900 -0.236 0.000 0.977 144 G CA 0.288 45.044 45.100 -0.575 0.000 0.659 144 G HN 0.711 nan 8.290 nan 0.000 0.533 145 Q N -0.806 118.950 119.800 -0.073 0.000 2.217 145 Q HA 0.623 4.964 4.340 0.001 0.000 0.340 145 Q C 1.891 177.969 176.000 0.130 0.000 0.893 145 Q CA 0.236 56.065 55.803 0.044 0.000 1.142 145 Q CB 0.853 29.652 28.738 0.101 0.000 1.288 145 Q HN 0.531 nan 8.270 nan 0.000 0.426 146 A N 1.867 124.776 122.820 0.149 0.000 1.883 146 A HA -0.276 4.045 4.320 0.001 0.000 0.217 146 A C 1.933 179.725 177.584 0.347 0.000 1.186 146 A CA 2.237 54.425 52.037 0.252 0.000 0.624 146 A CB -0.385 18.783 19.000 0.279 0.000 0.822 146 A HN 0.600 nan 8.150 nan 0.000 0.444 147 N N -1.270 117.615 118.700 0.309 0.000 2.106 147 N HA -0.218 4.522 4.740 0.001 0.000 0.188 147 N C 1.675 177.144 175.510 -0.068 0.000 1.029 147 N CA 2.013 55.055 53.050 -0.012 0.000 0.848 147 N CB -0.974 37.522 38.487 0.015 0.000 1.007 147 N HN 0.508 nan 8.380 nan 0.000 0.423 148 Y N 1.192 121.450 120.300 -0.070 0.000 2.200 148 Y HA 0.096 4.646 4.550 0.001 0.000 0.290 148 Y C 2.660 178.552 175.900 -0.013 0.000 1.137 148 Y CA 1.390 59.456 58.100 -0.057 0.000 1.163 148 Y CB -0.709 37.735 38.460 -0.025 0.000 0.988 148 Y HN 0.204 nan 8.280 nan 0.000 0.518 149 A N 0.215 123.075 122.820 0.067 0.000 1.877 149 A HA -0.107 4.214 4.320 0.001 0.000 0.216 149 A C 2.460 180.054 177.584 0.016 0.000 1.186 149 A CA 2.020 54.076 52.037 0.031 0.000 0.620 149 A CB -1.492 17.569 19.000 0.102 0.000 0.822 149 A HN 0.537 nan 8.150 nan 0.000 0.443 150 A N 0.266 123.108 122.820 0.036 0.000 1.877 150 A HA 0.055 4.375 4.320 0.001 0.000 0.216 150 A C 1.946 179.480 177.584 -0.083 0.000 1.186 150 A CA 1.619 53.676 52.037 0.034 0.000 0.620 150 A CB -1.203 17.878 19.000 0.135 0.000 0.822 150 A HN 0.978 nan 8.150 nan 0.000 0.443 154 G N 0.344 109.088 108.800 -0.093 0.000 2.422 154 G HA2 0.020 3.980 3.960 0.001 0.000 0.218 154 G HA3 0.020 3.980 3.960 0.001 0.000 0.218 154 G C 1.441 176.274 174.900 -0.111 0.000 1.146 154 G CA 1.774 46.822 45.100 -0.086 0.000 0.769 154 G HN 0.558 nan 8.290 nan 0.000 0.547 155 V N 0.521 120.354 119.914 -0.135 0.000 2.343 155 V HA -0.172 3.948 4.120 0.001 0.000 0.247 155 V C 3.038 179.031 176.094 -0.169 0.000 1.051 155 V CA 1.470 63.696 62.300 -0.124 0.000 1.036 155 V CB -0.272 31.481 31.823 -0.117 0.000 0.654 155 V HN 0.255 nan 8.190 nan 0.000 0.451 156 V N 0.889 120.631 119.914 -0.286 0.000 2.287 156 V HA -0.210 3.910 4.120 0.001 0.000 0.248 156 V C 2.641 178.613 176.094 -0.203 0.000 1.053 156 V CA 2.269 64.360 62.300 -0.349 0.000 1.027 156 V CB -1.432 29.969 31.823 -0.704 0.000 0.646 156 V HN 0.615 nan 8.190 nan 0.000 0.447 157 G N -0.270 108.435 108.800 -0.158 0.000 2.432 157 G HA2 -0.240 3.720 3.960 0.001 0.000 0.219 157 G HA3 -0.240 3.720 3.960 0.001 0.000 0.219 157 G C 1.582 176.442 174.900 -0.065 0.000 1.135 157 G CA 1.108 46.155 45.100 -0.088 0.000 0.767 157 G HN 0.474 nan 8.290 nan 0.000 0.550 158 L N 0.717 121.901 121.223 -0.065 0.000 2.056 158 L HA 0.067 4.407 4.340 0.001 0.000 0.207 158 L C 2.797 179.651 176.870 -0.027 0.000 1.078 158 L CA 2.507 57.331 54.840 -0.027 0.000 0.749 158 L CB -0.972 41.085 42.059 -0.004 0.000 0.901 158 L HN 0.127 nan 8.230 nan 0.000 0.433 159 T N -0.084 114.436 114.554 -0.056 0.000 2.652 159 T HA -0.213 4.138 4.350 0.001 0.000 0.267 159 T C 1.985 176.655 174.700 -0.049 0.000 1.039 159 T CA 1.991 64.057 62.100 -0.057 0.000 1.153 159 T CB -0.245 68.571 68.868 -0.086 0.000 0.863 159 T HN 0.357 nan 8.240 nan 0.000 0.428 160 R N 0.422 120.887 120.500 -0.058 0.000 2.103 160 R HA -0.098 4.242 4.340 0.001 0.000 0.242 160 R C 2.754 179.036 176.300 -0.031 0.000 1.142 160 R CA 1.787 57.860 56.100 -0.045 0.000 0.960 160 R CB -0.706 29.567 30.300 -0.045 0.000 0.858 160 R HN 0.341 nan 8.270 nan 0.000 0.439 161 T N 1.181 115.721 114.554 -0.023 0.000 2.737 161 T HA -0.077 4.273 4.350 0.001 0.000 0.265 161 T C 1.641 176.342 174.700 0.001 0.000 1.038 161 T CA 0.863 62.958 62.100 -0.009 0.000 1.144 161 T CB -0.136 68.732 68.868 -0.001 0.000 0.866 161 T HN -0.008 nan 8.240 nan 0.000 0.434 162 L N 1.243 122.469 121.223 0.004 0.000 2.187 162 L HA 0.041 4.381 4.340 0.001 0.000 0.213 162 L C 2.682 179.553 176.870 0.003 0.000 1.100 162 L CA 1.213 56.059 54.840 0.011 0.000 0.765 162 L CB -1.249 40.812 42.059 0.003 0.000 0.904 162 L HN 0.247 nan 8.230 nan 0.000 0.437 163 A N -1.002 121.808 122.820 -0.016 0.000 1.898 163 A HA -0.119 4.202 4.320 0.001 0.000 0.216 163 A C 2.300 179.866 177.584 -0.030 0.000 1.181 163 A CA 1.271 53.292 52.037 -0.028 0.000 0.620 163 A CB -0.563 18.410 19.000 -0.045 0.000 0.819 163 A HN 0.372 nan 8.150 nan 0.000 0.442 164 L N -0.696 120.510 121.223 -0.028 0.000 2.017 164 L HA -0.194 4.147 4.340 0.001 0.000 0.208 164 L C 2.534 179.388 176.870 -0.028 0.000 1.073 164 L CA 1.690 56.509 54.840 -0.034 0.000 0.745 164 L CB -0.595 41.448 42.059 -0.027 0.000 0.894 164 L HN 0.452 nan 8.230 nan 0.000 0.432 165 E N -0.116 120.087 120.200 0.004 0.000 2.208 165 E HA -0.117 4.234 4.350 0.001 0.000 0.193 165 E C 2.079 178.730 176.600 0.086 0.000 0.988 165 E CA 0.788 57.211 56.400 0.038 0.000 0.828 165 E CB 0.108 29.848 29.700 0.066 0.000 0.763 165 E HN 0.496 nan 8.360 nan 0.000 0.478 166 L N -0.393 120.880 121.223 0.084 0.000 2.590 166 L HA 0.183 4.523 4.340 0.001 0.000 0.227 166 L C 2.298 179.208 176.870 0.067 0.000 1.099 166 L CA 0.076 55.017 54.840 0.168 0.000 0.872 166 L CB -0.042 42.096 42.059 0.132 0.000 1.088 166 L HN 0.161 nan 8.230 nan 0.000 0.479 167 G N 2.146 110.928 108.800 -0.029 0.000 2.513 167 G HA2 -0.333 3.628 3.960 0.001 0.000 0.219 167 G HA3 -0.333 3.628 3.960 0.001 0.000 0.219 167 G C 1.647 176.480 174.900 -0.113 0.000 1.160 167 G CA 1.319 46.377 45.100 -0.071 0.000 0.767 167 G HN 0.514 nan 8.290 nan 0.000 0.571 168 R N -0.898 119.450 120.500 -0.255 0.000 2.148 168 R HA -0.013 4.327 4.340 0.001 0.000 0.227 168 R C 1.778 177.893 176.300 -0.308 0.000 1.103 168 R CA 1.113 56.991 56.100 -0.371 0.000 0.983 168 R CB -0.633 29.293 30.300 -0.624 0.000 0.874 168 R HN 0.538 nan 8.270 nan 0.000 0.451 169 W N 1.275 122.565 121.300 -0.017 0.000 3.434 169 W HA 0.339 4.999 4.660 0.001 0.000 0.297 169 W C 0.842 177.351 176.519 -0.016 0.000 1.295 169 W CA -0.023 57.312 57.345 -0.016 0.000 1.731 169 W CB 0.337 29.785 29.460 -0.021 0.000 1.070 169 W HN 0.415 nan 8.180 nan 0.000 0.726 170 G N 1.205 110.090 108.800 0.141 0.000 2.166 170 G HA2 -0.345 3.616 3.960 0.001 0.000 0.260 170 G HA3 -0.345 3.616 3.960 0.001 0.000 0.260 170 G C -0.005 174.941 174.900 0.075 0.000 0.986 170 G CA -0.023 45.130 45.100 0.089 0.000 0.683 170 G HN 0.323 nan 8.290 nan 0.000 0.527 171 I N 0.901 121.530 120.570 0.097 0.000 2.312 171 I HA 0.375 4.545 4.170 0.001 0.000 0.290 171 I C 0.837 176.969 176.117 0.025 0.000 1.008 171 I CA -0.739 60.597 61.300 0.061 0.000 1.226 171 I CB 0.995 39.045 38.000 0.082 0.000 1.371 171 I HN 0.012 nan 8.210 nan 0.000 0.468 172 R N 4.952 125.450 120.500 -0.004 0.000 2.404 172 R HA 0.688 5.028 4.340 0.001 0.000 0.291 172 R C -1.059 175.223 176.300 -0.030 0.000 1.025 172 R CA -0.699 55.384 56.100 -0.029 0.000 0.991 172 R CB 1.926 32.196 30.300 -0.050 0.000 1.053 172 R HN 0.337 nan 8.270 nan 0.000 0.479 173 V N 3.189 123.081 119.914 -0.036 0.000 2.525 173 V HA 0.388 4.509 4.120 0.001 0.000 0.299 173 V C -0.502 175.565 176.094 -0.045 0.000 1.034 173 V CA -0.936 61.342 62.300 -0.036 0.000 0.863 173 V CB 1.609 33.414 31.823 -0.030 0.000 0.999 173 V HN 0.786 nan 8.190 nan 0.000 0.423 174 N N 1.442 120.116 118.700 -0.044 0.000 2.455 174 N HA 0.591 5.332 4.740 0.001 0.000 0.278 174 N C -1.025 174.456 175.510 -0.048 0.000 1.291 174 N CA -0.492 52.531 53.050 -0.045 0.000 0.780 174 N CB 2.618 41.084 38.487 -0.034 0.000 1.520 174 N HN 0.637 nan 8.380 nan 0.000 0.486 175 T N 0.451 114.967 114.554 -0.064 0.000 2.876 175 T HA 0.609 4.959 4.350 0.001 0.000 0.289 175 T C -0.934 173.718 174.700 -0.080 0.000 1.014 175 T CA -0.536 61.515 62.100 -0.081 0.000 0.986 175 T CB 0.592 69.378 68.868 -0.137 0.000 1.021 175 T HN 0.223 nan 8.240 nan 0.000 0.458 176 L N 3.485 124.682 121.223 -0.043 0.000 2.325 176 L HA 0.772 5.113 4.340 0.001 0.000 0.279 176 L C 0.242 177.085 176.870 -0.046 0.000 1.054 176 L CA -1.009 53.826 54.840 -0.009 0.000 0.804 176 L CB 1.634 43.743 42.059 0.084 0.000 1.200 176 L HN 0.824 nan 8.230 nan 0.000 0.436 177 A N 4.524 127.301 122.820 -0.073 0.000 2.978 177 A HA 0.547 4.868 4.320 0.001 0.000 0.341 177 A C -2.522 175.128 177.584 0.110 0.000 1.105 177 A CA -1.320 50.692 52.037 -0.042 0.000 0.819 177 A CB -0.015 18.811 19.000 -0.290 0.000 1.080 177 A HN 0.336 nan 8.150 nan 0.000 0.476 178 P HA 0.298 nan 4.420 nan 0.000 0.272 178 P C 0.602 178.008 177.300 0.176 0.000 1.230 178 P CA 0.391 63.575 63.100 0.141 0.000 0.788 178 P CB 1.519 33.275 31.700 0.092 0.000 0.949 179 G N 0.745 109.649 108.800 0.172 0.000 3.227 179 G HA2 0.227 4.188 3.960 0.001 0.000 0.171 179 G HA3 0.227 4.188 3.960 0.001 0.000 0.171 179 G C -1.027 173.998 174.900 0.209 0.000 1.463 179 G CA -0.379 44.840 45.100 0.199 0.000 1.016 179 G HN 0.434 nan 8.290 nan 0.000 0.594 180 F N 2.066 122.049 119.950 0.055 0.000 2.464 180 F HA 0.440 4.967 4.527 0.000 0.000 0.353 180 F C -0.305 175.510 175.800 0.025 0.000 1.191 180 F CA -1.462 56.558 58.000 0.033 0.000 1.147 180 F CB 0.028 39.043 39.000 0.024 0.000 1.294 180 F HN -0.137 nan 8.300 nan 0.000 0.583 181 I N 4.376 124.760 120.570 -0.309 0.000 2.412 181 I HA 0.188 4.358 4.170 0.001 0.000 0.296 181 I C 0.064 175.901 176.117 -0.466 0.000 0.987 181 I CA -0.936 60.190 61.300 -0.290 0.000 1.180 181 I CB 1.324 39.231 38.000 -0.154 0.000 1.340 181 I HN 0.387 nan 8.210 nan 0.000 0.455 182 E N 4.524 124.513 120.200 -0.351 0.000 2.220 182 E HA 0.322 4.673 4.350 0.001 0.000 0.272 182 E C -0.197 176.283 176.600 -0.200 0.000 1.099 182 E CA 0.167 56.389 56.400 -0.297 0.000 0.907 182 E CB 0.402 30.001 29.700 -0.168 0.000 1.022 182 E HN 0.789 nan 8.360 nan 0.000 0.428 183 T N 0.614 115.052 114.554 -0.193 0.000 2.681 183 T HA 0.566 4.916 4.350 0.001 0.000 0.296 183 T C 0.065 174.703 174.700 -0.102 0.000 1.157 183 T CA -1.216 60.805 62.100 -0.131 0.000 1.025 183 T CB 0.643 69.437 68.868 -0.123 0.000 1.441 183 T HN 0.498 nan 8.240 nan 0.000 0.504 187 A N 2.219 125.018 122.820 -0.035 0.000 1.986 187 A HA 0.029 4.349 4.320 0.001 0.000 0.220 187 A C 1.644 179.236 177.584 0.014 0.000 1.171 187 A CA 1.481 53.509 52.037 -0.015 0.000 0.640 187 A CB -0.456 18.528 19.000 -0.027 0.000 0.811 187 A HN 0.582 nan 8.150 nan 0.000 0.451 188 K N -0.153 120.257 120.400 0.018 0.000 3.084 188 K HA 0.361 4.681 4.320 0.001 0.000 0.210 188 K C -1.027 175.595 176.600 0.036 0.000 1.137 188 K CA -0.328 55.973 56.287 0.024 0.000 1.010 188 K CB 1.240 33.745 32.500 0.010 0.000 0.806 188 K HN 0.188 nan 8.250 nan 0.000 0.460 189 V N 3.380 123.334 119.914 0.066 0.000 2.614 189 V HA 0.102 4.222 4.120 0.001 0.000 0.291 189 V C -1.653 174.471 176.094 0.050 0.000 1.049 189 V CA -1.687 60.657 62.300 0.072 0.000 1.038 189 V CB 0.091 31.999 31.823 0.142 0.000 0.980 189 V HN 0.329 nan 8.190 nan 0.000 0.481 190 P HA 0.001 nan 4.420 nan 0.000 0.265 190 P C 0.678 177.986 177.300 0.014 0.000 1.187 190 P CA 0.021 63.132 63.100 0.018 0.000 0.766 190 P CB 0.820 32.526 31.700 0.011 0.000 0.820 191 E N 2.535 122.742 120.200 0.013 0.000 2.187 191 E HA -0.223 4.128 4.350 0.001 0.000 0.199 191 E C 1.491 178.082 176.600 -0.014 0.000 1.004 191 E CA 1.696 58.100 56.400 0.006 0.000 0.813 191 E CB -0.199 29.505 29.700 0.007 0.000 0.736 191 E HN 0.460 nan 8.360 nan 0.000 0.468 192 K N -0.000 120.392 120.400 -0.012 0.000 2.032 192 K HA -0.103 4.218 4.320 0.001 0.000 0.209 192 K C 2.231 178.803 176.600 -0.046 0.000 1.048 192 K CA 0.882 57.156 56.287 -0.021 0.000 0.927 192 K CB -0.760 31.735 32.500 -0.008 0.000 0.712 192 K HN -0.015 nan 8.250 nan 0.000 0.441 193 V N 1.008 120.893 119.914 -0.050 0.000 2.307 193 V HA -0.210 3.910 4.120 0.001 0.000 0.245 193 V C 2.493 178.469 176.094 -0.196 0.000 1.045 193 V CA 1.895 64.139 62.300 -0.092 0.000 1.024 193 V CB -0.442 31.349 31.823 -0.053 0.000 0.651 193 V HN 0.320 nan 8.190 nan 0.000 0.449 194 R N 0.347 120.748 120.500 -0.164 0.000 2.070 194 R HA -0.251 4.089 4.340 0.001 0.000 0.233 194 R C 2.375 178.535 176.300 -0.234 0.000 1.137 194 R CA 2.306 58.250 56.100 -0.261 0.000 0.945 194 R CB -0.399 29.888 30.300 -0.021 0.000 0.845 194 R HN 0.660 nan 8.270 nan 0.000 0.430 195 E N 0.333 120.462 120.200 -0.118 0.000 2.118 195 E HA -0.279 4.071 4.350 0.001 0.000 0.195 195 E C 1.851 178.386 176.600 -0.109 0.000 0.992 195 E CA 1.683 58.031 56.400 -0.086 0.000 0.804 195 E CB 0.015 29.686 29.700 -0.047 0.000 0.741 195 E HN 0.129 nan 8.360 nan 0.000 0.458 196 K N 0.824 121.148 120.400 -0.126 0.000 2.009 196 K HA -0.120 4.200 4.320 0.001 0.000 0.210 196 K C 1.835 178.344 176.600 -0.153 0.000 1.049 196 K CA 1.833 58.051 56.287 -0.115 0.000 0.929 196 K CB -0.723 31.716 32.500 -0.102 0.000 0.714 196 K HN 0.183 nan 8.250 nan 0.000 0.440 197 A N 0.651 123.308 122.820 -0.271 0.000 1.877 197 A HA -0.083 4.237 4.320 0.001 0.000 0.216 197 A C 2.361 179.826 177.584 -0.198 0.000 1.186 197 A CA 1.803 53.655 52.037 -0.309 0.000 0.620 197 A CB -0.723 17.860 19.000 -0.695 0.000 0.822 197 A HN 0.374 nan 8.150 nan 0.000 0.443 198 I N -0.163 120.291 120.570 -0.193 0.000 2.226 198 I HA -0.292 3.879 4.170 0.001 0.000 0.245 198 I C 2.958 179.046 176.117 -0.048 0.000 1.100 198 I CA 1.026 62.282 61.300 -0.074 0.000 1.374 198 I CB -0.356 37.619 38.000 -0.043 0.000 1.057 198 I HN 0.361 nan 8.210 nan 0.000 0.413 199 A N 0.685 123.470 122.820 -0.059 0.000 1.978 199 A HA -0.168 4.153 4.320 0.001 0.000 0.220 199 A C 2.335 179.899 177.584 -0.033 0.000 1.170 199 A CA 1.960 53.973 52.037 -0.039 0.000 0.636 199 A CB -0.674 18.302 19.000 -0.041 0.000 0.810 199 A HN 0.460 nan 8.150 nan 0.000 0.448 200 A N -1.219 121.575 122.820 -0.043 0.000 2.251 200 A HA 0.328 4.648 4.320 0.001 0.000 0.209 200 A C 0.792 178.362 177.584 -0.022 0.000 1.187 200 A CA 0.716 52.733 52.037 -0.033 0.000 0.823 200 A CB -0.333 18.644 19.000 -0.038 0.000 0.846 200 A HN 0.272 nan 8.150 nan 0.000 0.486 201 T N 1.558 116.102 114.554 -0.016 0.000 2.753 201 T HA 0.348 4.699 4.350 0.001 0.000 0.297 201 T C -1.997 172.706 174.700 0.004 0.000 0.981 201 T CA -1.031 61.071 62.100 0.004 0.000 0.956 201 T CB 1.542 70.426 68.868 0.026 0.000 0.936 201 T HN 0.016 nan 8.240 nan 0.000 0.463 202 P HA -0.056 nan 4.420 nan 0.000 0.216 202 P C 1.337 178.641 177.300 0.008 0.000 1.153 202 P CA 0.957 64.057 63.100 0.000 0.000 0.858 202 P CB 0.095 31.792 31.700 -0.005 0.000 0.789 203 L N -2.492 118.741 121.223 0.017 0.000 2.551 203 L HA 0.087 4.428 4.340 0.001 0.000 0.228 203 L C 1.260 178.144 176.870 0.024 0.000 1.153 203 L CA 0.645 55.497 54.840 0.021 0.000 0.851 203 L CB -1.324 40.753 42.059 0.030 0.000 0.959 203 L HN 0.129 nan 8.230 nan 0.000 0.451 204 G N 1.995 110.808 108.800 0.022 0.000 2.323 204 G HA2 -0.298 3.663 3.960 0.001 0.000 0.292 204 G HA3 -0.298 3.663 3.960 0.001 0.000 0.292 204 G C 0.198 175.119 174.900 0.035 0.000 1.040 204 G CA 0.822 45.935 45.100 0.021 0.000 0.942 204 G HN 0.648 nan 8.290 nan 0.000 0.506 205 R N -2.230 118.304 120.500 0.056 0.000 2.741 205 R HA 0.780 5.121 4.340 0.001 0.000 0.276 205 R C -0.098 176.285 176.300 0.138 0.000 1.028 205 R CA -0.552 55.597 56.100 0.082 0.000 0.865 205 R CB 0.165 30.503 30.300 0.063 0.000 1.268 205 R HN 1.199 nan 8.270 nan 0.000 0.475 206 A N 0.587 123.518 122.820 0.184 0.000 2.304 206 A HA 0.692 5.013 4.320 0.001 0.000 0.271 206 A C 0.364 178.012 177.584 0.106 0.000 1.091 206 A CA 0.037 52.230 52.037 0.260 0.000 0.812 206 A CB 0.562 19.706 19.000 0.239 0.000 1.056 206 A HN 0.827 nan 8.150 nan 0.000 0.489 207 G N -0.180 108.658 108.800 0.062 0.000 2.528 207 G HA2 0.536 4.497 3.960 0.001 0.000 0.289 207 G HA3 0.536 4.497 3.960 0.001 0.000 0.289 207 G C -0.481 174.405 174.900 -0.023 0.000 1.192 207 G CA -0.676 44.442 45.100 0.029 0.000 0.921 207 G HN 0.718 nan 8.290 nan 0.000 0.512 208 K N 1.300 121.696 120.400 -0.007 0.000 2.207 208 K HA 0.317 4.638 4.320 0.001 0.000 0.255 208 K C -1.596 174.984 176.600 -0.032 0.000 0.941 208 K CA -1.827 54.445 56.287 -0.025 0.000 0.825 208 K CB 3.020 35.522 32.500 0.002 0.000 1.119 208 K HN 0.175 nan 8.250 nan 0.000 0.430 209 P HA -0.244 nan 4.420 nan 0.000 0.216 209 P C 1.291 178.550 177.300 -0.068 0.000 1.150 209 P CA 1.315 64.355 63.100 -0.099 0.000 0.843 209 P CB 0.265 31.887 31.700 -0.130 0.000 0.787 210 L N -0.071 121.134 121.223 -0.030 0.000 2.079 210 L HA -0.185 4.156 4.340 0.001 0.000 0.210 210 L C 2.522 179.460 176.870 0.115 0.000 1.081 210 L CA 1.829 56.670 54.840 0.002 0.000 0.752 210 L CB -0.568 41.524 42.059 0.055 0.000 0.896 210 L HN 0.005 nan 8.230 nan 0.000 0.433 211 E N -1.043 119.236 120.200 0.132 0.000 2.110 211 E HA -0.204 4.146 4.350 0.001 0.000 0.193 211 E C 2.112 178.809 176.600 0.163 0.000 0.988 211 E CA 1.281 57.789 56.400 0.179 0.000 0.804 211 E CB 0.021 29.785 29.700 0.107 0.000 0.745 211 E HN 0.375 nan 8.360 nan 0.000 0.458 212 V N 1.096 121.062 119.914 0.087 0.000 2.548 212 V HA -0.174 3.946 4.120 0.001 0.000 0.249 212 V C 2.246 178.410 176.094 0.117 0.000 1.055 212 V CA 1.524 63.877 62.300 0.088 0.000 1.065 212 V CB -0.442 31.386 31.823 0.007 0.000 0.681 212 V HN 0.285 nan 8.190 nan 0.000 0.462 213 A N -1.047 121.800 122.820 0.044 0.000 1.902 213 A HA -0.221 4.099 4.320 0.001 0.000 0.217 213 A C 2.079 179.732 177.584 0.115 0.000 1.181 213 A CA 1.669 53.703 52.037 -0.005 0.000 0.623 213 A CB -0.741 18.156 19.000 -0.171 0.000 0.818 213 A HN 0.575 nan 8.150 nan 0.000 0.443 214 Y N -0.281 120.106 120.300 0.146 0.000 2.293 214 Y HA -0.109 4.442 4.550 0.001 0.000 0.291 214 Y C 2.835 178.866 175.900 0.218 0.000 1.137 214 Y CA 0.808 59.016 58.100 0.179 0.000 1.202 214 Y CB -0.090 38.438 38.460 0.113 0.000 0.990 214 Y HN 0.373 nan 8.280 nan 0.000 0.537 215 A N -0.162 122.867 122.820 0.348 0.000 1.930 215 A HA -0.112 4.209 4.320 0.001 0.000 0.217 215 A C 2.351 180.139 177.584 0.340 0.000 1.175 215 A CA 1.484 53.710 52.037 0.315 0.000 0.627 215 A CB -1.029 18.111 19.000 0.234 0.000 0.815 215 A HN 0.405 nan 8.150 nan 0.000 0.443 216 A N -0.314 122.698 122.820 0.320 0.000 1.898 216 A HA -0.009 4.312 4.320 0.001 0.000 0.216 216 A C 2.168 180.012 177.584 0.433 0.000 1.181 216 A CA 1.343 53.582 52.037 0.338 0.000 0.620 216 A CB -0.557 18.638 19.000 0.324 0.000 0.819 216 A HN 0.502 nan 8.150 nan 0.000 0.442 217 L N -1.524 120.004 121.223 0.508 0.000 1.989 217 L HA -0.176 4.164 4.340 0.001 0.000 0.211 217 L C 2.444 179.446 176.870 0.220 0.000 1.071 217 L CA 2.421 57.468 54.840 0.346 0.000 0.749 217 L CB -0.532 41.752 42.059 0.374 0.000 0.890 217 L HN 0.486 nan 8.230 nan 0.000 0.431 218 F N 0.871 120.917 119.950 0.161 0.000 2.043 218 F HA -0.302 4.226 4.527 0.001 0.000 0.297 218 F C 2.276 178.121 175.800 0.075 0.000 1.121 218 F CA 1.947 60.012 58.000 0.109 0.000 1.199 218 F CB -0.679 38.392 39.000 0.119 0.000 0.968 218 F HN -0.017 nan 8.300 nan 0.000 0.478 219 L N -0.289 120.872 121.223 -0.103 0.000 2.187 219 L HA -0.213 4.127 4.340 0.001 0.000 0.213 219 L C 2.482 179.255 176.870 -0.161 0.000 1.100 219 L CA 1.211 55.918 54.840 -0.221 0.000 0.765 219 L CB -0.580 41.470 42.059 -0.016 0.000 0.904 219 L HN 0.342 nan 8.230 nan 0.000 0.437 220 L N -0.971 120.205 121.223 -0.078 0.000 2.354 220 L HA 0.057 4.397 4.340 0.001 0.000 0.212 220 L C 1.736 178.523 176.870 -0.138 0.000 1.091 220 L CA 0.018 54.804 54.840 -0.090 0.000 0.828 220 L CB 0.250 42.274 42.059 -0.059 0.000 0.973 220 L HN 0.283 nan 8.230 nan 0.000 0.461 221 S N -1.518 114.093 115.700 -0.147 0.000 2.624 221 S HA 0.008 4.479 4.470 0.001 0.000 0.263 221 S C 0.720 175.251 174.600 -0.114 0.000 1.287 221 S CA -0.424 57.702 58.200 -0.123 0.000 0.990 221 S CB 0.613 63.773 63.200 -0.066 0.000 0.950 221 S HN 0.164 nan 8.310 nan 0.000 0.561 222 D N 0.531 120.888 120.400 -0.071 0.000 2.378 222 D HA -0.011 4.629 4.640 0.001 0.000 0.222 222 D C 1.380 177.655 176.300 -0.041 0.000 0.980 222 D CA 0.682 54.652 54.000 -0.050 0.000 0.907 222 D CB -0.150 40.634 40.800 -0.025 0.000 0.899 222 D HN 0.725 nan 8.370 nan 0.000 0.527 223 E N -0.023 120.153 120.200 -0.040 0.000 2.347 223 E HA -0.063 4.288 4.350 0.001 0.000 0.196 223 E C 1.164 177.724 176.600 -0.066 0.000 1.008 223 E CA 0.561 56.976 56.400 0.024 0.000 0.852 223 E CB 0.155 29.955 29.700 0.166 0.000 0.783 223 E HN 0.122 nan 8.360 nan 0.000 0.505 224 S N -0.244 115.262 115.700 -0.324 0.000 2.562 224 S HA 0.096 4.566 4.470 0.001 0.000 0.246 224 S C 1.456 175.960 174.600 -0.160 0.000 1.056 224 S CA -0.067 57.870 58.200 -0.439 0.000 1.042 224 S CB 0.350 62.949 63.200 -1.002 0.000 0.822 224 S HN 0.137 nan 8.310 nan 0.000 0.465 225 S N 0.913 116.583 115.700 -0.049 0.000 2.407 225 S HA -0.131 4.340 4.470 0.001 0.000 0.235 225 S C 0.842 175.518 174.600 0.127 0.000 1.036 225 S CA 0.812 59.028 58.200 0.026 0.000 1.013 225 S CB -0.731 62.497 63.200 0.046 0.000 0.820 225 S HN 0.604 nan 8.310 nan 0.000 0.476 226 F N 1.588 121.515 119.950 -0.038 0.000 2.647 226 F HA 0.544 5.071 4.527 0.001 0.000 0.300 226 F C -0.215 175.578 175.800 -0.013 0.000 1.106 226 F CA -1.608 56.382 58.000 -0.017 0.000 1.313 226 F CB 0.237 39.238 39.000 0.002 0.000 1.007 226 F HN 0.045 nan 8.300 nan 0.000 0.536 227 I N 0.639 121.191 120.570 -0.029 0.000 2.382 227 I HA 0.334 4.504 4.170 0.001 0.000 0.286 227 I C -0.076 175.978 176.117 -0.106 0.000 1.002 227 I CA -0.380 60.875 61.300 -0.074 0.000 1.135 227 I CB 1.729 39.719 38.000 -0.017 0.000 1.288 227 I HN -0.130 nan 8.210 nan 0.000 0.448 228 T N 3.320 117.800 114.554 -0.124 0.000 2.923 228 T HA 0.559 4.910 4.350 0.001 0.000 0.311 228 T C 0.387 175.037 174.700 -0.084 0.000 1.183 228 T CA 0.327 62.367 62.100 -0.100 0.000 1.020 228 T CB 1.567 70.367 68.868 -0.113 0.000 1.165 228 T HN 0.978 nan 8.240 nan 0.000 0.482 229 G N 2.749 111.511 108.800 -0.064 0.000 2.160 229 G HA2 -0.167 3.794 3.960 0.001 0.000 0.251 229 G HA3 -0.167 3.794 3.960 0.001 0.000 0.251 229 G C -0.092 174.782 174.900 -0.044 0.000 1.008 229 G CA 0.249 45.316 45.100 -0.056 0.000 0.724 229 G HN 0.730 nan 8.290 nan 0.000 0.514 230 Q N -0.844 118.935 119.800 -0.035 0.000 2.215 230 Q HA 0.686 5.026 4.340 0.001 0.000 0.256 230 Q C 0.073 176.049 176.000 -0.040 0.000 0.972 230 Q CA -0.792 55.003 55.803 -0.013 0.000 0.889 230 Q CB 2.194 30.945 28.738 0.023 0.000 1.281 230 Q HN 0.301 nan 8.270 nan 0.000 0.456 231 V N 2.522 122.410 119.914 -0.045 0.000 2.334 231 V HA 0.234 4.354 4.120 0.001 0.000 0.281 231 V C -0.665 175.342 176.094 -0.144 0.000 1.016 231 V CA -0.747 61.457 62.300 -0.160 0.000 0.832 231 V CB 1.314 32.999 31.823 -0.230 0.000 0.999 231 V HN 0.506 nan 8.190 nan 0.000 0.439 232 L N 6.645 127.801 121.223 -0.112 0.000 2.262 232 L HA 0.604 4.944 4.340 0.001 0.000 0.288 232 L C -0.663 176.193 176.870 -0.023 0.000 1.035 232 L CA 0.080 54.930 54.840 0.017 0.000 0.820 232 L CB 0.444 42.568 42.059 0.109 0.000 1.204 232 L HN 0.418 nan 8.230 nan 0.000 0.424 233 F N 4.816 124.832 119.950 0.111 0.000 2.438 233 F HA 0.360 4.887 4.527 0.001 0.000 0.356 233 F C 0.601 176.456 175.800 0.093 0.000 1.099 233 F CA -0.267 57.797 58.000 0.106 0.000 1.185 233 F CB 1.024 40.080 39.000 0.092 0.000 1.115 233 F HN 0.128 nan 8.300 nan 0.000 0.526 234 V N 3.032 123.100 119.914 0.257 0.000 2.326 234 V HA 0.187 4.308 4.120 0.001 0.000 0.254 234 V C -0.571 175.628 176.094 0.176 0.000 1.022 234 V CA -0.525 61.884 62.300 0.182 0.000 1.074 234 V CB 0.155 32.065 31.823 0.144 0.000 1.305 234 V HN 0.803 nan 8.190 nan 0.000 0.506 235 D N 0.567 121.078 120.400 0.186 0.000 2.620 235 D HA 0.215 4.856 4.640 0.001 0.000 0.260 235 D C 1.336 177.703 176.300 0.111 0.000 1.367 235 D CA 0.193 54.288 54.000 0.160 0.000 0.805 235 D CB 0.496 41.410 40.800 0.190 0.000 1.096 235 D HN 0.501 nan 8.370 nan 0.000 0.488 236 G N 0.267 109.123 108.800 0.093 0.000 2.187 236 G HA2 -0.079 3.881 3.960 0.001 0.000 0.261 236 G HA3 -0.079 3.881 3.960 0.001 0.000 0.261 236 G C 1.241 176.163 174.900 0.037 0.000 1.000 236 G CA 0.624 45.763 45.100 0.063 0.000 0.718 236 G HN 1.484 nan 8.290 nan 0.000 0.519 237 G N -1.176 107.639 108.800 0.026 0.000 2.141 237 G HA2 -0.290 3.671 3.960 0.001 0.000 0.242 237 G HA3 -0.290 3.671 3.960 0.001 0.000 0.242 237 G C 1.157 176.034 174.900 -0.037 0.000 0.982 237 G CA 1.063 46.152 45.100 -0.017 0.000 0.662 237 G HN 0.959 nan 8.290 nan 0.000 0.527 238 R N 0.427 120.919 120.500 -0.013 0.000 2.193 238 R HA -0.009 4.332 4.340 0.001 0.000 0.229 238 R C 2.115 178.378 176.300 -0.062 0.000 1.110 238 R CA 2.034 58.124 56.100 -0.017 0.000 0.988 238 R CB -0.556 29.760 30.300 0.027 0.000 0.871 238 R HN 0.403 nan 8.270 nan 0.000 0.458 239 T N 0.002 114.476 114.554 -0.133 0.000 3.060 239 T HA 0.278 4.628 4.350 0.001 0.000 0.249 239 T C 0.729 175.288 174.700 -0.234 0.000 1.079 239 T CA -0.299 61.662 62.100 -0.231 0.000 1.013 239 T CB 0.013 68.593 68.868 -0.480 0.000 0.975 239 T HN 0.057 nan 8.240 nan 0.000 0.518 240 I N 1.317 121.783 120.570 -0.174 0.000 2.683 240 I HA 0.271 4.441 4.170 0.001 0.000 0.286 240 I C 1.625 177.685 176.117 -0.095 0.000 1.175 240 I CA 0.976 62.197 61.300 -0.132 0.000 1.429 240 I CB 0.568 38.516 38.000 -0.087 0.000 1.371 240 I HN 0.385 nan 8.210 nan 0.000 0.569 241 G N 4.108 112.857 108.800 -0.084 0.000 2.232 241 G HA2 -0.170 3.791 3.960 0.001 0.000 0.226 241 G HA3 -0.170 3.791 3.960 0.001 0.000 0.226 241 G C 0.256 175.120 174.900 -0.061 0.000 0.996 241 G CA -0.110 44.955 45.100 -0.059 0.000 0.626 241 G HN 0.966 nan 8.290 nan 0.000 0.509 242 A N 0.463 123.231 122.820 -0.087 0.000 2.304 242 A HA 0.896 5.217 4.320 0.001 0.000 0.301 242 A C 0.777 178.315 177.584 -0.076 0.000 1.132 242 A CA 0.837 52.825 52.037 -0.082 0.000 0.819 242 A CB 0.857 19.792 19.000 -0.109 0.000 1.094 242 A HN 2.057 nan 8.150 nan 0.000 0.492 243 A N 3.905 126.694 122.820 -0.052 0.000 2.492 243 A HA 0.528 4.849 4.320 0.001 0.000 0.254 243 A C -1.510 176.050 177.584 -0.039 0.000 1.091 243 A CA -0.879 51.139 52.037 -0.033 0.000 0.768 243 A CB -0.662 18.328 19.000 -0.016 0.000 1.028 243 A HN 0.728 nan 8.150 nan 0.000 0.498 244 P HA 0.518 nan 4.420 nan 0.000 0.274 244 P C -0.262 177.072 177.300 0.056 0.000 1.246 244 P CA 0.005 63.118 63.100 0.022 0.000 0.795 244 P CB 1.288 33.026 31.700 0.062 0.000 1.006 245 A N 0.000 122.895 122.820 0.125 0.000 2.254 245 A HA 0.000 4.320 4.320 0.001 0.000 0.244 245 A CA 0.000 52.142 52.037 0.176 0.000 0.836 245 A CB 0.000 19.118 19.000 0.196 0.000 0.831 245 A HN 0.000 nan 8.150 nan 0.000 0.486