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_E 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 0.000 176.241 176.300 -0.098 0.000 0.893 2 R CA 0.000 56.071 56.100 -0.049 0.000 0.921 2 R CB 0.000 30.278 30.300 -0.037 0.000 0.687 3 L N 1.304 122.461 121.223 -0.110 0.000 3.347 3 L HA 0.317 4.655 4.340 -0.003 0.000 0.306 3 L C -0.129 176.697 176.870 -0.073 0.000 1.301 3 L CA -0.301 54.459 54.840 -0.133 0.000 0.985 3 L CB 0.994 42.908 42.059 -0.242 0.000 1.400 3 L HN -0.056 nan 8.230 nan 0.000 0.601 4 K N 1.425 121.797 120.400 -0.047 0.000 2.440 4 K HA -0.118 4.200 4.320 -0.003 0.000 0.275 4 K C 0.082 176.668 176.600 -0.023 0.000 1.082 4 K CA 0.868 57.139 56.287 -0.026 0.000 1.135 4 K CB 0.090 32.579 32.500 -0.019 0.000 0.864 4 K HN 0.241 nan 8.250 nan 0.000 0.479 5 D N 1.764 122.155 120.400 -0.014 0.000 3.059 5 D HA -0.186 4.452 4.640 -0.003 0.000 0.213 5 D C -0.799 175.494 176.300 -0.011 0.000 1.144 5 D CA 1.222 55.216 54.000 -0.010 0.000 0.975 5 D CB -0.148 40.645 40.800 -0.011 0.000 1.125 5 D HN 0.563 nan 8.370 nan 0.000 0.412 6 K N 0.473 120.861 120.400 -0.020 0.000 2.339 6 K HA 0.495 4.813 4.320 -0.003 0.000 0.286 6 K C 0.102 176.703 176.600 0.002 0.000 1.050 6 K CA 0.040 56.315 56.287 -0.020 0.000 0.956 6 K CB 1.230 33.701 32.500 -0.049 0.000 0.990 6 K HN 0.161 nan 8.250 nan 0.000 0.475 7 A N 3.554 126.381 122.820 0.010 0.000 2.302 7 A HA 0.381 4.699 4.320 -0.003 0.000 0.295 7 A C -0.245 177.362 177.584 0.037 0.000 1.235 7 A CA -0.509 51.545 52.037 0.028 0.000 0.876 7 A CB 0.327 19.340 19.000 0.022 0.000 1.133 7 A HN 0.424 nan 8.150 nan 0.000 0.533 8 V N 3.634 123.583 119.914 0.059 0.000 2.735 8 V HA 0.524 4.642 4.120 -0.003 0.000 0.310 8 V C -0.344 175.777 176.094 0.045 0.000 1.061 8 V CA -0.600 61.750 62.300 0.083 0.000 0.913 8 V CB 1.873 33.809 31.823 0.187 0.000 1.005 8 V HN 0.867 nan 8.190 nan 0.000 0.428 9 L N 4.922 126.150 121.223 0.008 0.000 2.346 9 L HA 0.724 5.062 4.340 -0.003 0.000 0.276 9 L C -1.218 175.617 176.870 -0.059 0.000 1.006 9 L CA -0.329 54.464 54.840 -0.080 0.000 0.817 9 L CB 1.429 43.352 42.059 -0.227 0.000 1.272 9 L HN 0.583 nan 8.230 nan 0.000 0.421 10 I N 3.486 124.006 120.570 -0.083 0.000 2.498 10 I HA 0.386 4.554 4.170 -0.003 0.000 0.290 10 I C -0.090 175.991 176.117 -0.060 0.000 1.032 10 I CA -0.536 60.715 61.300 -0.082 0.000 1.073 10 I CB 2.403 40.339 38.000 -0.107 0.000 1.251 10 I HN 0.613 nan 8.210 nan 0.000 0.426 11 T N 0.595 115.142 114.554 -0.012 0.000 2.943 11 T HA 0.564 4.912 4.350 -0.003 0.000 0.284 11 T C 0.912 175.622 174.700 0.017 0.000 1.015 11 T CA -0.034 62.080 62.100 0.024 0.000 1.042 11 T CB 1.675 70.647 68.868 0.172 0.000 1.055 11 T HN 1.067 nan 8.240 nan 0.000 0.500 12 G N 0.376 109.132 108.800 -0.074 0.000 2.249 12 G HA2 -0.120 3.838 3.960 -0.003 0.000 0.273 12 G HA3 -0.120 3.838 3.960 -0.003 0.000 0.273 12 G C 0.904 175.630 174.900 -0.291 0.000 1.036 12 G CA 0.159 45.127 45.100 -0.221 0.000 0.824 12 G HN 1.523 nan 8.290 nan 0.000 0.504 13 A N -0.996 121.696 122.820 -0.214 0.000 2.209 13 A HA 0.532 4.850 4.320 -0.003 0.000 0.212 13 A C 2.523 179.977 177.584 -0.217 0.000 1.158 13 A CA 1.785 53.715 52.037 -0.177 0.000 0.742 13 A CB -0.253 18.670 19.000 -0.128 0.000 0.790 13 A HN 1.711 nan 8.150 nan 0.000 0.472 14 A N -0.573 122.047 122.820 -0.334 0.000 1.984 14 A HA 0.194 4.512 4.320 -0.003 0.000 0.214 14 A C 1.095 178.626 177.584 -0.088 0.000 1.173 14 A CA 0.248 52.163 52.037 -0.203 0.000 0.673 14 A CB -0.363 18.551 19.000 -0.142 0.000 0.830 14 A HN 0.596 nan 8.150 nan 0.000 0.453 15 H N -1.541 117.479 119.070 -0.084 0.000 2.509 15 H HA 0.449 5.003 4.556 -0.003 0.000 0.359 15 H C 1.787 177.029 175.328 -0.143 0.000 1.253 15 H CA -0.615 55.372 56.048 -0.101 0.000 1.373 15 H CB -0.487 29.217 29.762 -0.097 0.000 1.555 15 H HN 0.174 nan 8.280 nan 0.000 0.586 16 G N 0.650 109.452 108.800 0.004 0.000 3.665 16 G HA2 -0.364 3.594 3.960 -0.003 0.000 0.251 16 G HA3 -0.364 3.594 3.960 -0.003 0.000 0.251 16 G C 1.601 176.391 174.900 -0.184 0.000 0.940 16 G CA 1.972 47.015 45.100 -0.094 0.000 0.741 16 G HN 0.671 nan 8.290 nan 0.000 1.302 17 I N 1.339 121.738 120.570 -0.284 0.000 2.163 17 I HA -0.158 4.010 4.170 -0.003 0.000 0.243 17 I C 3.157 178.911 176.117 -0.605 0.000 1.085 17 I CA 1.388 62.405 61.300 -0.471 0.000 1.347 17 I CB -0.865 36.735 38.000 -0.667 0.000 1.044 17 I HN 0.408 nan 8.210 nan 0.000 0.408 18 G N 0.718 109.147 108.800 -0.618 0.000 2.459 18 G HA2 -0.329 3.629 3.960 -0.003 0.000 0.217 18 G HA3 -0.329 3.629 3.960 -0.003 0.000 0.217 18 G C 1.711 176.483 174.900 -0.214 0.000 1.183 18 G CA 1.042 45.941 45.100 -0.335 0.000 0.776 18 G HN 0.206 nan 8.290 nan 0.000 0.552 19 R N 1.156 121.541 120.500 -0.192 0.000 2.094 19 R HA -0.009 4.329 4.340 -0.003 0.000 0.239 19 R C 2.791 179.009 176.300 -0.136 0.000 1.137 19 R CA 2.087 58.104 56.100 -0.139 0.000 0.943 19 R CB -0.987 29.253 30.300 -0.100 0.000 0.850 19 R HN 0.268 nan 8.270 nan 0.000 0.433 20 A N -1.045 121.684 122.820 -0.151 0.000 1.933 20 A HA -0.137 4.181 4.320 -0.003 0.000 0.218 20 A C 2.194 179.684 177.584 -0.157 0.000 1.175 20 A CA 2.075 54.034 52.037 -0.131 0.000 0.628 20 A CB -0.931 17.994 19.000 -0.125 0.000 0.814 20 A HN 0.510 nan 8.150 nan 0.000 0.444 21 T N 0.102 114.526 114.554 -0.218 0.000 2.821 21 T HA -0.034 4.314 4.350 -0.003 0.000 0.267 21 T C 1.817 176.272 174.700 -0.407 0.000 1.046 21 T CA 1.041 62.931 62.100 -0.349 0.000 1.139 21 T CB -0.293 68.367 68.868 -0.348 0.000 0.871 21 T HN 0.347 nan 8.240 nan 0.000 0.454 22 L N 0.744 121.815 121.223 -0.252 0.000 2.042 22 L HA -0.169 4.169 4.340 -0.003 0.000 0.210 22 L C 2.592 179.431 176.870 -0.052 0.000 1.076 22 L CA 1.815 56.566 54.840 -0.150 0.000 0.749 22 L CB -0.329 41.664 42.059 -0.110 0.000 0.893 22 L HN 0.381 nan 8.230 nan 0.000 0.432 23 E N -0.368 119.797 120.200 -0.057 0.000 2.028 23 E HA -0.256 4.092 4.350 -0.003 0.000 0.191 23 E C 2.235 178.845 176.600 0.017 0.000 0.988 23 E CA 0.966 57.355 56.400 -0.019 0.000 0.799 23 E CB -0.100 29.579 29.700 -0.035 0.000 0.755 23 E HN 0.398 nan 8.360 nan 0.000 0.447 24 L N 0.279 121.505 121.223 0.005 0.000 2.012 24 L HA -0.200 4.138 4.340 -0.003 0.000 0.210 24 L C 2.205 179.198 176.870 0.206 0.000 1.073 24 L CA 1.477 56.337 54.840 0.033 0.000 0.748 24 L CB -0.241 41.779 42.059 -0.065 0.000 0.891 24 L HN 0.157 nan 8.230 nan 0.000 0.431 25 F N 0.303 120.214 119.950 -0.065 0.000 2.134 25 F HA -0.164 4.361 4.527 -0.003 0.000 0.299 25 F C 2.722 178.509 175.800 -0.023 0.000 1.097 25 F CA 0.913 58.892 58.000 -0.035 0.000 1.264 25 F CB -1.407 37.581 39.000 -0.020 0.000 1.001 25 F HN 0.129 nan 8.300 nan 0.000 0.479 26 A N 0.087 123.014 122.820 0.178 0.000 1.908 26 A HA -0.230 4.088 4.320 -0.003 0.000 0.218 26 A C 2.289 179.908 177.584 0.058 0.000 1.181 26 A CA 1.803 53.894 52.037 0.090 0.000 0.627 26 A CB -0.682 18.352 19.000 0.057 0.000 0.818 26 A HN 0.353 nan 8.150 nan 0.000 0.445 27 K N -0.312 120.120 120.400 0.053 0.000 2.147 27 K HA -0.093 4.225 4.320 -0.003 0.000 0.205 27 K C 0.983 177.599 176.600 0.027 0.000 1.049 27 K CA 1.121 57.430 56.287 0.035 0.000 0.936 27 K CB -0.076 32.444 32.500 0.033 0.000 0.722 27 K HN 0.337 nan 8.250 nan 0.000 0.446 28 E N 0.130 120.342 120.200 0.020 0.000 2.438 28 E HA 0.005 4.353 4.350 -0.003 0.000 0.192 28 E C 0.669 177.255 176.600 -0.024 0.000 1.110 28 E CA 0.302 56.691 56.400 -0.017 0.000 0.893 28 E CB -0.009 29.643 29.700 -0.081 0.000 0.990 28 E HN 0.486 nan 8.360 nan 0.000 0.490 29 G N 1.087 109.888 108.800 0.003 0.000 2.221 29 G HA2 -0.297 3.661 3.960 -0.003 0.000 0.265 29 G HA3 -0.297 3.661 3.960 -0.003 0.000 0.265 29 G C 0.437 175.338 174.900 0.002 0.000 1.041 29 G CA 0.346 45.448 45.100 0.004 0.000 0.807 29 G HN 0.509 nan 8.290 nan 0.000 0.502 30 A N -0.467 122.362 122.820 0.015 0.000 2.302 30 A HA 0.810 5.128 4.320 -0.003 0.000 0.285 30 A C 0.711 178.325 177.584 0.050 0.000 1.105 30 A CA -0.397 51.655 52.037 0.025 0.000 0.816 30 A CB 0.534 19.566 19.000 0.052 0.000 1.067 30 A HN 0.499 nan 8.150 nan 0.000 0.489 31 R N 1.055 121.584 120.500 0.049 0.000 2.215 31 R HA 0.466 4.804 4.340 -0.003 0.000 0.337 31 R C -1.169 175.177 176.300 0.077 0.000 1.010 31 R CA -0.013 56.126 56.100 0.065 0.000 0.871 31 R CB 0.503 30.835 30.300 0.053 0.000 1.134 31 R HN 0.615 nan 8.270 nan 0.000 0.477 32 L N 2.193 123.462 121.223 0.076 0.000 2.334 32 L HA 0.623 4.961 4.340 -0.003 0.000 0.272 32 L C -0.330 176.546 176.870 0.010 0.000 1.020 32 L CA -1.233 53.639 54.840 0.054 0.000 0.812 32 L CB 1.860 43.953 42.059 0.056 0.000 1.264 32 L HN 0.193 nan 8.230 nan 0.000 0.439 33 V N 1.499 121.396 119.914 -0.027 0.000 2.443 33 V HA 0.595 4.713 4.120 -0.003 0.000 0.293 33 V C -0.077 175.959 176.094 -0.097 0.000 1.021 33 V CA -0.560 61.695 62.300 -0.075 0.000 0.848 33 V CB 1.565 33.329 31.823 -0.099 0.000 0.998 33 V HN 0.834 nan 8.190 nan 0.000 0.424 34 A N 4.392 127.147 122.820 -0.108 0.000 2.274 34 A HA 0.699 5.017 4.320 -0.003 0.000 0.309 34 A C -0.258 177.247 177.584 -0.132 0.000 1.226 34 A CA -0.249 51.719 52.037 -0.114 0.000 0.853 34 A CB 0.517 19.452 19.000 -0.108 0.000 1.146 34 A HN 0.836 nan 8.150 nan 0.000 0.518 35 C N 1.896 121.121 119.300 -0.124 0.000 2.456 35 C HA 0.920 5.378 4.460 -0.003 0.000 0.325 35 C C -0.246 174.682 174.990 -0.103 0.000 1.217 35 C CA -0.386 58.565 59.018 -0.112 0.000 1.687 35 C CB 1.311 28.985 27.740 -0.111 0.000 2.270 35 C HN 0.991 nan 8.230 nan 0.000 0.499 36 D N -0.168 120.179 120.400 -0.088 0.000 2.755 36 D HA 0.173 4.811 4.640 -0.003 0.000 0.277 36 D C 0.142 176.421 176.300 -0.034 0.000 1.261 36 D CA -0.575 53.370 54.000 -0.091 0.000 0.759 36 D CB 1.186 41.877 40.800 -0.180 0.000 1.279 36 D HN 0.316 nan 8.370 nan 0.000 0.420 37 I N 1.191 121.766 120.570 0.009 0.000 2.252 37 I HA -0.045 4.123 4.170 -0.003 0.000 0.245 37 I C 0.510 176.640 176.117 0.023 0.000 1.102 37 I CA 1.497 62.816 61.300 0.032 0.000 1.385 37 I CB 0.125 38.163 38.000 0.064 0.000 1.064 37 I HN 0.261 nan 8.210 nan 0.000 0.414 38 E N 0.531 120.751 120.200 0.033 0.000 2.115 38 E HA 0.040 4.388 4.350 -0.003 0.000 0.282 38 E C 0.798 177.395 176.600 -0.005 0.000 0.987 38 E CA -0.079 56.333 56.400 0.019 0.000 0.797 38 E CB 1.041 30.763 29.700 0.037 0.000 1.086 38 E HN 0.235 nan 8.360 nan 0.000 0.397 39 E N 3.380 123.570 120.200 -0.017 0.000 2.085 39 E HA -0.211 4.137 4.350 -0.003 0.000 0.194 39 E C 1.691 178.272 176.600 -0.033 0.000 0.994 39 E CA 1.548 57.928 56.400 -0.034 0.000 0.801 39 E CB -0.030 29.649 29.700 -0.034 0.000 0.743 39 E HN 0.759 nan 8.360 nan 0.000 0.453 40 G N 1.723 110.511 108.800 -0.020 0.000 2.679 40 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.217 40 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.217 40 G C -0.544 174.344 174.900 -0.020 0.000 1.267 40 G CA 1.417 46.506 45.100 -0.018 0.000 0.799 40 G HN 0.431 nan 8.290 nan 0.000 0.606 41 P HA -0.002 nan 4.420 nan 0.000 0.230 41 P C 1.998 179.282 177.300 -0.026 0.000 1.158 41 P CA 0.496 63.591 63.100 -0.008 0.000 0.769 41 P CB 0.014 31.725 31.700 0.019 0.000 0.807 42 L N -0.011 121.189 121.223 -0.039 0.000 2.044 42 L HA -0.077 4.261 4.340 -0.003 0.000 0.205 42 L C 2.727 179.551 176.870 -0.078 0.000 1.075 42 L CA 1.487 56.286 54.840 -0.069 0.000 0.747 42 L CB -0.240 41.773 42.059 -0.078 0.000 0.903 42 L HN -0.103 nan 8.230 nan 0.000 0.435 43 R N -0.346 120.110 120.500 -0.073 0.000 2.115 43 R HA -0.213 4.125 4.340 -0.003 0.000 0.230 43 R C 2.042 178.307 176.300 -0.059 0.000 1.111 43 R CA 1.407 57.461 56.100 -0.078 0.000 0.976 43 R CB -0.298 29.959 30.300 -0.071 0.000 0.870 43 R HN 0.503 nan 8.270 nan 0.000 0.445 44 E N 1.121 121.294 120.200 -0.045 0.000 2.051 44 E HA -0.183 4.165 4.350 -0.003 0.000 0.192 44 E C 1.999 178.576 176.600 -0.038 0.000 0.991 44 E CA 1.187 57.566 56.400 -0.035 0.000 0.799 44 E CB -0.026 29.659 29.700 -0.026 0.000 0.748 44 E HN 0.345 nan 8.360 nan 0.000 0.449 45 A N 1.180 123.972 122.820 -0.046 0.000 1.902 45 A HA -0.092 4.226 4.320 -0.003 0.000 0.217 45 A C 2.384 179.935 177.584 -0.054 0.000 1.181 45 A CA 1.835 53.842 52.037 -0.051 0.000 0.623 45 A CB -0.767 18.194 19.000 -0.065 0.000 0.818 45 A HN 0.421 nan 8.150 nan 0.000 0.443 46 A N -0.133 122.648 122.820 -0.066 0.000 1.877 46 A HA -0.165 4.153 4.320 -0.003 0.000 0.216 46 A C 1.926 179.483 177.584 -0.045 0.000 1.186 46 A CA 1.619 53.616 52.037 -0.067 0.000 0.620 46 A CB -0.548 18.391 19.000 -0.101 0.000 0.822 46 A HN 0.629 nan 8.150 nan 0.000 0.443 47 E N -0.218 119.957 120.200 -0.043 0.000 2.106 47 E HA -0.085 4.263 4.350 -0.003 0.000 0.192 47 E C 2.157 178.747 176.600 -0.016 0.000 0.984 47 E CA 0.829 57.213 56.400 -0.026 0.000 0.806 47 E CB -0.291 29.393 29.700 -0.026 0.000 0.750 47 E HN 0.605 nan 8.360 nan 0.000 0.458 48 A N 0.688 123.496 122.820 -0.020 0.000 2.125 48 A HA -0.079 4.239 4.320 -0.003 0.000 0.219 48 A C 2.087 179.665 177.584 -0.009 0.000 1.156 48 A CA 0.950 52.978 52.037 -0.014 0.000 0.671 48 A CB 0.136 19.125 19.000 -0.018 0.000 0.794 48 A HN 0.193 nan 8.150 nan 0.000 0.459 49 V N -2.366 117.542 119.914 -0.009 0.000 3.398 49 V HA 0.426 4.544 4.120 -0.003 0.000 0.298 49 V C 1.239 177.339 176.094 0.010 0.000 1.496 49 V CA 0.984 63.284 62.300 -0.000 0.000 1.044 49 V CB 0.189 32.010 31.823 -0.004 0.000 0.880 49 V HN 1.164 nan 8.190 nan 0.000 0.443 50 G N 0.851 109.656 108.800 0.009 0.000 2.132 50 G HA2 -0.104 3.854 3.960 -0.003 0.000 0.234 50 G HA3 -0.104 3.854 3.960 -0.003 0.000 0.234 50 G C 0.276 175.195 174.900 0.033 0.000 0.989 50 G CA 0.418 45.532 45.100 0.024 0.000 0.676 50 G HN 1.260 nan 8.290 nan 0.000 0.522 51 A N -0.164 122.662 122.820 0.010 0.000 2.271 51 A HA 0.701 5.019 4.320 -0.003 0.000 0.288 51 A C 0.165 177.740 177.584 -0.016 0.000 1.094 51 A CA -0.243 51.796 52.037 0.003 0.000 0.828 51 A CB 0.545 19.532 19.000 -0.022 0.000 1.091 51 A HN 0.737 nan 8.150 nan 0.000 0.493 52 H N 2.027 120.984 119.070 -0.189 0.000 2.556 52 H HA 0.335 4.889 4.556 -0.003 0.000 0.310 52 H C -2.546 172.643 175.328 -0.233 0.000 1.057 52 H CA -1.809 54.060 56.048 -0.298 0.000 1.264 52 H CB 1.308 30.614 29.762 -0.760 0.000 1.404 52 H HN 0.413 nan 8.280 nan 0.000 0.462 53 P HA 0.035 nan 4.420 nan 0.000 0.276 53 P C -0.864 176.212 177.300 -0.373 0.000 1.243 53 P CA -0.274 62.618 63.100 -0.348 0.000 0.768 53 P CB 1.542 33.080 31.700 -0.269 0.000 0.856 54 V N 5.036 124.821 119.914 -0.216 0.000 2.462 54 V HA 0.090 4.208 4.120 -0.003 0.000 0.288 54 V C 0.813 176.843 176.094 -0.107 0.000 1.020 54 V CA -0.730 61.481 62.300 -0.149 0.000 0.857 54 V CB 1.786 33.541 31.823 -0.113 0.000 1.013 54 V HN 0.320 nan 8.190 nan 0.000 0.431 58 V N 1.706 121.675 119.914 0.091 0.000 2.982 58 V HA 0.030 4.148 4.120 -0.003 0.000 0.265 58 V C 1.790 177.930 176.094 0.076 0.000 1.122 58 V CA 1.873 64.236 62.300 0.106 0.000 1.143 58 V CB -0.742 31.206 31.823 0.208 0.000 0.726 58 V HN 0.476 nan 8.190 nan 0.000 0.507 59 A N 0.085 122.945 122.820 0.067 0.000 2.218 59 A HA 0.131 4.449 4.320 -0.003 0.000 0.209 59 A C 1.061 178.669 177.584 0.040 0.000 1.168 59 A CA 0.711 52.780 52.037 0.053 0.000 0.804 59 A CB -0.263 18.766 19.000 0.049 0.000 0.834 59 A HN 0.594 nan 8.150 nan 0.000 0.482 60 D N -0.659 119.763 120.400 0.037 0.000 2.392 60 D HA 0.380 5.018 4.640 -0.003 0.000 0.228 60 D C -2.020 174.292 176.300 0.021 0.000 1.074 60 D CA -2.311 51.706 54.000 0.028 0.000 0.838 60 D CB 1.572 42.388 40.800 0.028 0.000 1.067 60 D HN -0.089 nan 8.370 nan 0.000 0.511 61 P HA -0.172 nan 4.420 nan 0.000 0.216 61 P C 0.957 178.253 177.300 -0.006 0.000 1.154 61 P CA 1.721 64.818 63.100 -0.004 0.000 0.865 61 P CB 0.261 31.963 31.700 0.003 0.000 0.789 62 A N -1.103 121.721 122.820 0.006 0.000 1.929 62 A HA -0.140 4.178 4.320 -0.003 0.000 0.216 62 A C 2.501 180.097 177.584 0.020 0.000 1.176 62 A CA 1.949 53.992 52.037 0.009 0.000 0.628 62 A CB -1.532 17.474 19.000 0.010 0.000 0.816 62 A HN 0.195 nan 8.150 nan 0.000 0.444 63 S N -0.516 115.199 115.700 0.026 0.000 2.355 63 S HA -0.125 4.343 4.470 -0.003 0.000 0.222 63 S C 1.935 176.573 174.600 0.062 0.000 1.031 63 S CA 1.626 59.848 58.200 0.036 0.000 0.993 63 S CB -0.472 62.748 63.200 0.034 0.000 0.859 63 S HN 0.293 nan 8.310 nan 0.000 0.453 64 V N 1.631 121.586 119.914 0.069 0.000 2.332 64 V HA -0.170 3.948 4.120 -0.003 0.000 0.248 64 V C 2.507 178.701 176.094 0.166 0.000 1.055 64 V CA 2.344 64.726 62.300 0.136 0.000 1.038 64 V CB -0.824 31.022 31.823 0.038 0.000 0.651 64 V HN 0.567 nan 8.190 nan 0.000 0.450 65 E N 0.006 120.237 120.200 0.052 0.000 2.031 65 E HA -0.231 4.117 4.350 -0.003 0.000 0.193 65 E C 2.517 179.166 176.600 0.080 0.000 0.994 65 E CA 1.439 57.860 56.400 0.034 0.000 0.800 65 E CB -0.079 29.615 29.700 -0.010 0.000 0.752 65 E HN 0.482 nan 8.360 nan 0.000 0.447 66 R N -0.406 120.130 120.500 0.061 0.000 2.083 66 R HA -0.113 4.225 4.340 -0.003 0.000 0.237 66 R C 2.529 178.870 176.300 0.069 0.000 1.137 66 R CA 1.135 57.267 56.100 0.053 0.000 0.951 66 R CB -0.700 29.620 30.300 0.034 0.000 0.851 66 R HN 0.284 nan 8.270 nan 0.000 0.434 67 G N 0.860 109.707 108.800 0.078 0.000 2.529 67 G HA2 -0.280 3.678 3.960 -0.003 0.000 0.219 67 G HA3 -0.280 3.678 3.960 -0.003 0.000 0.219 67 G C 1.142 176.044 174.900 0.004 0.000 1.177 67 G CA 0.861 45.980 45.100 0.031 0.000 0.773 67 G HN 0.198 nan 8.290 nan 0.000 0.573 68 F N 1.762 121.696 119.950 -0.025 0.000 2.365 68 F HA 0.140 4.665 4.527 -0.003 0.000 0.300 68 F C 2.918 178.707 175.800 -0.018 0.000 1.090 68 F CA 0.639 58.622 58.000 -0.028 0.000 1.408 68 F CB -0.148 38.820 39.000 -0.053 0.000 1.060 68 F HN 0.254 nan 8.300 nan 0.000 0.534 69 A N -0.063 122.841 122.820 0.140 0.000 1.873 69 A HA -0.171 4.147 4.320 -0.003 0.000 0.215 69 A C 2.175 179.790 177.584 0.051 0.000 1.186 69 A CA 1.624 53.707 52.037 0.077 0.000 0.616 69 A CB -0.645 18.387 19.000 0.053 0.000 0.823 69 A HN 0.380 nan 8.150 nan 0.000 0.442 70 E N -0.179 120.047 120.200 0.044 0.000 2.031 70 E HA -0.155 4.193 4.350 -0.003 0.000 0.193 70 E C 2.390 179.016 176.600 0.043 0.000 0.994 70 E CA 1.003 57.432 56.400 0.049 0.000 0.800 70 E CB -0.356 29.380 29.700 0.061 0.000 0.752 70 E HN 0.587 nan 8.360 nan 0.000 0.447 71 A N 1.591 124.407 122.820 -0.007 0.000 1.892 71 A HA -0.207 4.111 4.320 -0.003 0.000 0.218 71 A C 2.179 179.772 177.584 0.016 0.000 1.188 71 A CA 1.246 53.262 52.037 -0.035 0.000 0.631 71 A CB -0.541 18.342 19.000 -0.194 0.000 0.822 71 A HN 0.145 nan 8.150 nan 0.000 0.447 72 L N -1.042 120.196 121.223 0.025 0.000 2.109 72 L HA -0.106 4.232 4.340 -0.003 0.000 0.207 72 L C 2.997 179.874 176.870 0.011 0.000 1.086 72 L CA 1.875 56.733 54.840 0.029 0.000 0.760 72 L CB -1.591 40.495 42.059 0.045 0.000 0.910 72 L HN 0.477 nan 8.230 nan 0.000 0.437 73 A N -1.311 121.519 122.820 0.016 0.000 1.930 73 A HA -0.249 4.069 4.320 -0.003 0.000 0.217 73 A C 2.288 179.852 177.584 -0.034 0.000 1.175 73 A CA 1.508 53.543 52.037 -0.004 0.000 0.627 73 A CB -0.737 18.269 19.000 0.010 0.000 0.815 73 A HN 0.516 nan 8.150 nan 0.000 0.443 74 H N -0.343 118.654 119.070 -0.122 0.000 2.372 74 H HA 0.128 4.682 4.556 -0.003 0.000 0.301 74 H C 1.763 177.001 175.328 -0.150 0.000 1.065 74 H CA 1.593 57.516 56.048 -0.209 0.000 1.364 74 H CB -0.036 29.480 29.762 -0.410 0.000 1.406 74 H HN 0.411 nan 8.280 nan 0.000 0.521 75 L N -0.900 120.330 121.223 0.011 0.000 2.249 75 L HA 0.112 4.450 4.340 -0.003 0.000 0.207 75 L C 2.035 178.874 176.870 -0.051 0.000 1.090 75 L CA 0.788 55.623 54.840 -0.007 0.000 0.802 75 L CB 0.050 42.144 42.059 0.057 0.000 0.947 75 L HN 0.545 nan 8.230 nan 0.000 0.453 76 G N 1.087 109.863 108.800 -0.040 0.000 2.205 76 G HA2 -0.299 3.660 3.960 -0.003 0.000 0.261 76 G HA3 -0.299 3.660 3.960 -0.003 0.000 0.261 76 G C 0.412 175.300 174.900 -0.019 0.000 0.980 76 G CA 0.536 45.614 45.100 -0.038 0.000 0.632 76 G HN 0.521 nan 8.290 nan 0.000 0.533 77 R N -1.513 118.983 120.500 -0.007 0.000 2.765 77 R HA 0.671 5.009 4.340 -0.003 0.000 0.277 77 R C -2.213 174.096 176.300 0.014 0.000 1.028 77 R CA -1.110 54.991 56.100 0.001 0.000 0.860 77 R CB 0.467 30.764 30.300 -0.005 0.000 1.270 77 R HN 0.408 nan 8.270 nan 0.000 0.484 78 L N 1.863 123.098 121.223 0.020 0.000 2.376 78 L HA 0.382 4.720 4.340 -0.003 0.000 0.275 78 L C -0.425 176.459 176.870 0.024 0.000 0.987 78 L CA -0.566 54.294 54.840 0.033 0.000 0.828 78 L CB 2.153 44.250 42.059 0.064 0.000 1.249 78 L HN 0.820 nan 8.230 nan 0.000 0.409 79 D N 2.348 122.760 120.400 0.021 0.000 2.380 79 D HA 0.222 4.860 4.640 -0.003 0.000 0.212 79 D C 0.609 176.918 176.300 0.016 0.000 1.021 79 D CA 0.489 54.496 54.000 0.011 0.000 0.884 79 D CB 1.785 42.585 40.800 -0.001 0.000 1.001 79 D HN 0.637 nan 8.370 nan 0.000 0.506 80 G N -0.225 108.595 108.800 0.033 0.000 2.601 80 G HA2 0.482 4.440 3.960 -0.003 0.000 0.291 80 G HA3 0.482 4.440 3.960 -0.003 0.000 0.291 80 G C -1.797 173.146 174.900 0.072 0.000 1.456 80 G CA -0.374 44.753 45.100 0.045 0.000 0.804 80 G HN -0.067 nan 8.290 nan 0.000 0.499 81 V N -0.195 119.762 119.914 0.071 0.000 2.808 81 V HA 0.638 4.756 4.120 -0.003 0.000 0.308 81 V C -0.680 175.431 176.094 0.029 0.000 1.099 81 V CA -0.703 61.638 62.300 0.068 0.000 0.920 81 V CB 2.097 33.987 31.823 0.112 0.000 1.014 81 V HN 0.737 nan 8.190 nan 0.000 0.425 82 V N 3.380 123.274 119.914 -0.033 0.000 2.407 82 V HA 0.412 4.530 4.120 -0.003 0.000 0.291 82 V C -0.729 175.189 176.094 -0.293 0.000 1.018 82 V CA -0.635 61.544 62.300 -0.201 0.000 0.842 82 V CB 1.441 33.082 31.823 -0.302 0.000 0.996 82 V HN 0.938 nan 8.190 nan 0.000 0.426 83 H N 3.837 122.681 119.070 -0.376 0.000 2.552 83 H HA 0.513 5.067 4.556 -0.003 0.000 0.311 83 H C -0.594 174.508 175.328 -0.376 0.000 1.071 83 H CA -0.085 55.797 56.048 -0.277 0.000 1.307 83 H CB 0.883 30.574 29.762 -0.118 0.000 1.416 83 H HN 0.603 nan 8.280 nan 0.000 0.464 84 Y N 3.280 123.312 120.300 -0.445 0.000 2.808 84 Y HA 0.314 4.862 4.550 -0.003 0.000 0.244 84 Y C 1.518 177.137 175.900 -0.468 0.000 1.033 84 Y CA -0.147 57.733 58.100 -0.367 0.000 1.415 84 Y CB -0.313 38.031 38.460 -0.193 0.000 1.420 84 Y HN 0.759 nan 8.280 nan 0.000 0.484 85 A N 1.937 124.662 122.820 -0.158 0.000 1.700 85 A HA 0.087 4.405 4.320 -0.003 0.000 0.334 85 A C 0.491 178.054 177.584 -0.035 0.000 0.978 85 A CA 1.267 53.266 52.037 -0.064 0.000 1.490 85 A CB -1.551 17.458 19.000 0.015 0.000 0.700 85 A HN 0.538 nan 8.150 nan 0.000 0.210 86 G N 0.693 109.521 108.800 0.047 0.000 2.642 86 G HA2 0.799 4.757 3.960 -0.003 0.000 0.293 86 G HA3 0.799 4.757 3.960 -0.003 0.000 0.293 86 G C -0.475 174.488 174.900 0.105 0.000 1.341 86 G CA -0.296 44.862 45.100 0.097 0.000 0.916 86 G HN 1.632 nan 8.290 nan 0.000 0.474 87 I N -2.059 118.588 120.570 0.128 0.000 3.191 87 I HA 0.921 5.089 4.170 -0.003 0.000 0.313 87 I C -0.516 175.616 176.117 0.025 0.000 1.193 87 I CA -1.077 60.254 61.300 0.053 0.000 0.968 87 I CB 2.528 40.549 38.000 0.035 0.000 1.262 87 I HN 0.670 nan 8.210 nan 0.000 0.456 88 T N 0.448 114.951 114.554 -0.084 0.000 2.900 88 T HA 0.722 5.070 4.350 -0.003 0.000 0.295 88 T C -0.493 174.164 174.700 -0.071 0.000 1.044 88 T CA -0.774 61.230 62.100 -0.160 0.000 0.995 88 T CB 2.129 70.775 68.868 -0.371 0.000 1.072 88 T HN 0.734 nan 8.240 nan 0.000 0.473 89 R N 1.603 122.082 120.500 -0.036 0.000 2.754 89 R HA 0.354 4.692 4.340 -0.003 0.000 0.255 89 R C -1.207 175.097 176.300 0.007 0.000 1.723 89 R CA -0.572 55.527 56.100 -0.003 0.000 1.596 89 R CB -0.040 30.277 30.300 0.029 0.000 1.424 89 R HN 0.715 nan 8.270 nan 0.000 0.662 90 D N 1.073 121.462 120.400 -0.020 0.000 2.423 90 D HA 0.226 4.864 4.640 -0.003 0.000 0.238 90 D C -0.041 176.260 176.300 0.003 0.000 1.142 90 D CA 0.719 54.712 54.000 -0.012 0.000 0.884 90 D CB 0.618 41.402 40.800 -0.026 0.000 1.199 90 D HN 0.211 nan 8.370 nan 0.000 0.438 91 N N 0.069 118.767 118.700 -0.004 0.000 4.851 91 N HA 0.028 4.766 4.740 -0.003 0.000 0.190 91 N C -1.316 174.146 175.510 -0.080 0.000 1.101 91 N CA -0.563 52.478 53.050 -0.014 0.000 0.958 91 N CB 0.223 38.692 38.487 -0.031 0.000 1.570 91 N HN 0.059 nan 8.380 nan 0.000 0.601 92 F N 2.621 122.304 119.950 -0.446 0.000 2.496 92 F HA 0.093 4.618 4.527 -0.003 0.000 0.344 92 F C 2.495 177.907 175.800 -0.645 0.000 1.155 92 F CA -0.043 57.577 58.000 -0.634 0.000 1.302 92 F CB 0.511 38.751 39.000 -1.267 0.000 1.159 92 F HN 0.528 nan 8.300 nan 0.000 0.595 93 H N 2.153 121.025 119.070 -0.329 0.000 2.390 93 H HA -0.229 4.325 4.556 -0.003 0.000 0.298 93 H C 1.630 176.909 175.328 -0.081 0.000 1.106 93 H CA 2.177 58.135 56.048 -0.151 0.000 1.297 93 H CB -0.963 28.770 29.762 -0.048 0.000 1.375 93 H HN 0.795 nan 8.280 nan 0.000 0.509 94 W N 1.862 122.858 121.300 -0.506 0.000 2.699 94 W HA 0.278 4.937 4.660 -0.002 0.000 0.249 94 W C 0.726 177.193 176.519 -0.086 0.000 1.280 94 W CA -0.369 56.817 57.345 -0.265 0.000 1.345 94 W CB -0.137 29.144 29.460 -0.298 0.000 1.128 94 W HN 0.073 nan 8.180 nan 0.000 0.642 98 L N 0.977 122.259 121.223 0.098 0.000 2.043 98 L HA -0.242 4.096 4.340 -0.003 0.000 0.212 98 L C 2.122 179.107 176.870 0.191 0.000 1.075 98 L CA 2.113 57.036 54.840 0.139 0.000 0.752 98 L CB 0.026 42.137 42.059 0.087 0.000 0.891 98 L HN 0.546 nan 8.230 nan 0.000 0.432 99 E N -0.278 119.999 120.200 0.128 0.000 2.070 99 E HA -0.290 4.058 4.350 -0.003 0.000 0.197 99 E C 1.704 178.375 176.600 0.119 0.000 1.004 99 E CA 1.809 58.274 56.400 0.109 0.000 0.805 99 E CB -0.212 29.532 29.700 0.074 0.000 0.744 99 E HN 0.542 nan 8.360 nan 0.000 0.451 100 D N 0.023 120.499 120.400 0.127 0.000 2.144 100 D HA -0.160 4.478 4.640 -0.003 0.000 0.199 100 D C 1.347 177.741 176.300 0.158 0.000 0.984 100 D CA 0.685 54.756 54.000 0.118 0.000 0.834 100 D CB -0.354 40.510 40.800 0.107 0.000 0.955 100 D HN 0.355 nan 8.370 nan 0.000 0.465 101 W N 1.924 123.244 121.300 0.033 0.000 2.379 101 W HA -0.124 4.534 4.660 -0.003 0.000 0.307 101 W C 1.422 177.965 176.519 0.039 0.000 1.200 101 W CA 1.103 58.470 57.345 0.038 0.000 1.297 101 W CB -0.156 29.326 29.460 0.036 0.000 1.140 101 W HN 0.013 nan 8.180 nan 0.000 0.507 102 E N 0.523 120.808 120.200 0.143 0.000 2.274 102 E HA -0.209 4.139 4.350 -0.003 0.000 0.194 102 E C 2.040 178.616 176.600 -0.040 0.000 0.996 102 E CA 0.994 57.402 56.400 0.014 0.000 0.840 102 E CB -0.294 29.493 29.700 0.146 0.000 0.772 102 E HN 0.175 nan 8.360 nan 0.000 0.491 103 L N 0.912 122.133 121.223 -0.004 0.000 2.044 103 L HA -0.119 4.219 4.340 -0.003 0.000 0.205 103 L C 2.427 179.276 176.870 -0.034 0.000 1.075 103 L CA 1.356 56.193 54.840 -0.004 0.000 0.747 103 L CB -0.536 41.535 42.059 0.021 0.000 0.903 103 L HN 0.075 nan 8.230 nan 0.000 0.435 104 V N -1.998 117.880 119.914 -0.061 0.000 2.515 104 V HA -0.210 3.908 4.120 -0.003 0.000 0.250 104 V C 2.324 178.345 176.094 -0.122 0.000 1.058 104 V CA 1.822 64.089 62.300 -0.055 0.000 1.064 104 V CB -0.769 31.041 31.823 -0.021 0.000 0.675 104 V HN 0.457 nan 8.190 nan 0.000 0.461 105 L N -0.142 120.928 121.223 -0.256 0.000 2.027 105 L HA -0.097 4.241 4.340 -0.003 0.000 0.206 105 L C 3.027 179.822 176.870 -0.125 0.000 1.074 105 L CA 2.282 56.960 54.840 -0.271 0.000 0.745 105 L CB -0.643 41.162 42.059 -0.422 0.000 0.898 105 L HN 0.338 nan 8.230 nan 0.000 0.433 106 R N -0.080 120.369 120.500 -0.085 0.000 2.083 106 R HA -0.164 4.175 4.340 -0.003 0.000 0.237 106 R C 2.153 178.458 176.300 0.008 0.000 1.137 106 R CA 1.820 57.906 56.100 -0.024 0.000 0.951 106 R CB -0.157 30.140 30.300 -0.005 0.000 0.851 106 R HN 0.143 nan 8.270 nan 0.000 0.434 107 V N 1.310 121.231 119.914 0.012 0.000 2.302 107 V HA -0.184 3.934 4.120 -0.003 0.000 0.243 107 V C 1.799 177.936 176.094 0.072 0.000 1.036 107 V CA 1.920 64.249 62.300 0.049 0.000 1.020 107 V CB -0.585 31.268 31.823 0.050 0.000 0.657 107 V HN 0.398 nan 8.190 nan 0.000 0.453 108 N N 0.060 118.785 118.700 0.042 0.000 2.109 108 N HA -0.074 4.664 4.740 -0.003 0.000 0.188 108 N C 1.532 177.063 175.510 0.036 0.000 1.034 108 N CA 1.146 54.223 53.050 0.046 0.000 0.846 108 N CB -0.519 37.969 38.487 0.003 0.000 1.010 108 N HN 0.297 nan 8.380 nan 0.000 0.425 109 L N 0.728 121.939 121.223 -0.019 0.000 2.034 109 L HA 0.075 4.413 4.340 -0.003 0.000 0.203 109 L C 1.881 178.769 176.870 0.030 0.000 1.074 109 L CA 1.809 56.635 54.840 -0.023 0.000 0.748 109 L CB -1.276 40.732 42.059 -0.084 0.000 0.905 109 L HN 0.078 nan 8.230 nan 0.000 0.439 110 T N -0.368 114.202 114.554 0.027 0.000 2.867 110 T HA -0.067 4.281 4.350 -0.003 0.000 0.268 110 T C 1.661 176.433 174.700 0.120 0.000 1.057 110 T CA 1.056 63.209 62.100 0.090 0.000 1.136 110 T CB -0.740 68.161 68.868 0.055 0.000 0.874 110 T HN 0.577 nan 8.240 nan 0.000 0.466 111 G N 1.058 109.909 108.800 0.084 0.000 2.418 111 G HA2 -0.190 3.768 3.960 -0.003 0.000 0.217 111 G HA3 -0.190 3.768 3.960 -0.003 0.000 0.217 111 G C 1.862 176.750 174.900 -0.021 0.000 1.158 111 G CA 1.014 46.160 45.100 0.076 0.000 0.771 111 G HN 0.496 nan 8.290 nan 0.000 0.545 112 S N 0.214 115.942 115.700 0.046 0.000 2.383 112 S HA -0.059 4.409 4.470 -0.003 0.000 0.227 112 S C 1.856 176.400 174.600 -0.093 0.000 1.026 112 S CA 0.931 59.081 58.200 -0.084 0.000 0.981 112 S CB -0.314 62.944 63.200 0.096 0.000 0.818 112 S HN 0.412 nan 8.310 nan 0.000 0.472 113 F N 2.651 122.523 119.950 -0.129 0.000 2.102 113 F HA -0.041 4.484 4.527 -0.003 0.000 0.298 113 F C 1.740 177.443 175.800 -0.163 0.000 1.105 113 F CA 1.155 59.080 58.000 -0.126 0.000 1.239 113 F CB -0.613 38.333 39.000 -0.090 0.000 0.991 113 F HN 0.082 nan 8.300 nan 0.000 0.474 114 L N -0.546 120.510 121.223 -0.279 0.000 1.989 114 L HA -0.245 4.093 4.340 -0.003 0.000 0.211 114 L C 2.430 179.028 176.870 -0.454 0.000 1.071 114 L CA 1.357 55.962 54.840 -0.391 0.000 0.749 114 L CB -1.101 40.860 42.059 -0.162 0.000 0.890 114 L HN 0.025 nan 8.230 nan 0.000 0.431 115 V N 0.023 119.698 119.914 -0.398 0.000 2.343 115 V HA -0.271 3.847 4.120 -0.003 0.000 0.247 115 V C 2.720 178.546 176.094 -0.446 0.000 1.051 115 V CA 1.825 63.878 62.300 -0.411 0.000 1.036 115 V CB -0.819 30.685 31.823 -0.531 0.000 0.654 115 V HN 0.483 nan 8.190 nan 0.000 0.451 116 A N -0.427 122.163 122.820 -0.384 0.000 1.930 116 A HA -0.228 4.090 4.320 -0.003 0.000 0.217 116 A C 2.337 179.699 177.584 -0.370 0.000 1.175 116 A CA 1.994 53.856 52.037 -0.291 0.000 0.627 116 A CB -0.443 18.446 19.000 -0.185 0.000 0.815 116 A HN 0.515 nan 8.150 nan 0.000 0.443 117 K N -0.208 119.879 120.400 -0.521 0.000 2.026 117 K HA -0.112 4.206 4.320 -0.003 0.000 0.208 117 K C 2.165 178.461 176.600 -0.507 0.000 1.048 117 K CA 1.286 57.243 56.287 -0.549 0.000 0.929 117 K CB -0.331 31.679 32.500 -0.817 0.000 0.713 117 K HN 0.358 nan 8.250 nan 0.000 0.439 118 A N 0.997 123.413 122.820 -0.674 0.000 1.902 118 A HA -0.086 4.232 4.320 -0.003 0.000 0.217 118 A C 2.320 179.434 177.584 -0.784 0.000 1.181 118 A CA 1.835 53.347 52.037 -0.874 0.000 0.623 118 A CB -0.786 17.287 19.000 -1.544 0.000 0.818 118 A HN 0.490 nan 8.150 nan 0.000 0.443 119 A N -0.673 121.738 122.820 -0.681 0.000 1.902 119 A HA -0.125 4.193 4.320 -0.003 0.000 0.217 119 A C 2.506 179.997 177.584 -0.155 0.000 1.181 119 A CA 2.266 54.183 52.037 -0.200 0.000 0.623 119 A CB -1.017 17.953 19.000 -0.049 0.000 0.818 119 A HN 0.621 nan 8.150 nan 0.000 0.443 120 S N -0.854 114.719 115.700 -0.211 0.000 2.356 120 S HA -0.207 4.261 4.470 -0.003 0.000 0.223 120 S C 2.080 176.563 174.600 -0.196 0.000 1.032 120 S CA 1.650 59.743 58.200 -0.178 0.000 1.005 120 S CB -0.396 62.692 63.200 -0.187 0.000 0.867 120 S HN 0.553 nan 8.310 nan 0.000 0.449 121 E N 1.264 121.326 120.200 -0.229 0.000 2.118 121 E HA -0.027 4.321 4.350 -0.003 0.000 0.195 121 E C 1.026 177.535 176.600 -0.152 0.000 0.992 121 E CA 0.878 57.156 56.400 -0.205 0.000 0.804 121 E CB -0.486 29.083 29.700 -0.218 0.000 0.741 121 E HN 0.611 nan 8.360 nan 0.000 0.458 125 E N 1.003 121.009 120.200 -0.324 0.000 3.801 125 E HA -0.298 4.050 4.350 -0.003 0.000 0.319 125 E C -0.035 176.534 176.600 -0.053 0.000 0.784 125 E CA 1.450 57.753 56.400 -0.162 0.000 1.183 125 E CB -0.432 29.099 29.700 -0.282 0.000 1.601 125 E HN 0.541 nan 8.360 nan 0.000 0.441 126 K N 0.264 120.635 120.400 -0.049 0.000 2.312 126 K HA 0.170 4.488 4.320 -0.003 0.000 0.206 126 K C 0.528 177.132 176.600 0.006 0.000 1.121 126 K CA 1.200 57.473 56.287 -0.023 0.000 0.923 126 K CB 0.415 32.892 32.500 -0.038 0.000 1.162 126 K HN 0.350 nan 8.250 nan 0.000 0.478 127 N N -0.166 118.542 118.700 0.012 0.000 2.961 127 N HA 0.249 4.987 4.740 -0.003 0.000 0.245 127 N C -3.117 172.417 175.510 0.040 0.000 1.404 127 N CA -1.226 51.840 53.050 0.027 0.000 0.880 127 N CB 1.299 39.794 38.487 0.013 0.000 1.461 127 N HN -0.231 nan 8.380 nan 0.000 0.510 128 P HA 0.470 nan 4.420 nan 0.000 0.275 128 P C -0.086 177.231 177.300 0.027 0.000 1.266 128 P CA 0.230 63.359 63.100 0.048 0.000 0.793 128 P CB 0.782 32.506 31.700 0.040 0.000 1.074 129 G N -1.420 107.394 108.800 0.023 0.000 2.430 129 G HA2 0.458 4.416 3.960 -0.003 0.000 0.300 129 G HA3 0.458 4.416 3.960 -0.003 0.000 0.300 129 G C -1.854 173.048 174.900 0.003 0.000 1.330 129 G CA -0.322 44.784 45.100 0.010 0.000 0.813 129 G HN 0.609 nan 8.290 nan 0.000 0.487 130 S N -0.869 114.831 115.700 -0.002 0.000 2.575 130 S HA 0.720 5.189 4.470 -0.003 0.000 0.278 130 S C -1.082 173.519 174.600 0.002 0.000 1.139 130 S CA -0.621 57.573 58.200 -0.009 0.000 0.954 130 S CB 0.860 64.043 63.200 -0.028 0.000 1.054 130 S HN 0.587 nan 8.310 nan 0.000 0.483 131 I N 4.257 124.824 120.570 -0.005 0.000 2.406 131 I HA 0.497 4.665 4.170 -0.003 0.000 0.290 131 I C -0.901 175.208 176.117 -0.013 0.000 0.999 131 I CA -0.920 60.377 61.300 -0.005 0.000 1.124 131 I CB 2.083 40.072 38.000 -0.018 0.000 1.289 131 I HN 0.323 nan 8.210 nan 0.000 0.441 132 V N 7.327 127.233 119.914 -0.014 0.000 2.409 132 V HA 0.453 4.572 4.120 -0.003 0.000 0.291 132 V C -0.111 175.950 176.094 -0.056 0.000 1.020 132 V CA -0.533 61.748 62.300 -0.031 0.000 0.848 132 V CB 1.742 33.551 31.823 -0.022 0.000 0.990 132 V HN 0.480 nan 8.190 nan 0.000 0.430 133 L N 3.906 125.103 121.223 -0.043 0.000 2.322 133 L HA 0.567 4.905 4.340 -0.003 0.000 0.281 133 L C 0.188 177.028 176.870 -0.051 0.000 1.014 133 L CA -0.298 54.531 54.840 -0.017 0.000 0.815 133 L CB 2.187 44.245 42.059 -0.001 0.000 1.247 133 L HN 0.564 nan 8.230 nan 0.000 0.421 134 T N 2.281 116.801 114.554 -0.058 0.000 2.767 134 T HA 0.565 4.913 4.350 -0.003 0.000 0.288 134 T C 0.404 175.086 174.700 -0.030 0.000 0.963 134 T CA -0.264 61.822 62.100 -0.023 0.000 1.019 134 T CB 1.868 70.785 68.868 0.082 0.000 0.923 134 T HN 0.759 nan 8.240 nan 0.000 0.468 135 A N 2.904 125.687 122.820 -0.062 0.000 3.658 135 A HA 0.952 5.270 4.320 -0.003 0.000 0.188 135 A C 0.376 177.927 177.584 -0.055 0.000 1.601 135 A CA -0.419 51.552 52.037 -0.110 0.000 1.765 135 A CB 0.447 19.328 19.000 -0.197 0.000 1.546 135 A HN 0.820 nan 8.150 nan 0.000 0.555 136 S N -2.354 113.329 115.700 -0.027 0.000 2.608 136 S HA 0.283 4.751 4.470 -0.003 0.000 0.285 136 S C 0.583 175.300 174.600 0.196 0.000 1.108 136 S CA 0.196 58.449 58.200 0.088 0.000 0.858 136 S CB 0.967 64.222 63.200 0.092 0.000 1.077 136 S HN 0.940 nan 8.310 nan 0.000 0.450 137 R N 2.326 122.985 120.500 0.265 0.000 2.159 137 R HA -0.045 4.293 4.340 -0.003 0.000 0.237 137 R C 1.165 177.622 176.300 0.262 0.000 1.131 137 R CA 2.443 58.786 56.100 0.405 0.000 0.982 137 R CB -1.114 29.408 30.300 0.370 0.000 0.868 137 R HN 0.544 nan 8.270 nan 0.000 0.453 138 V N 1.996 122.039 119.914 0.214 0.000 3.026 138 V HA -0.213 3.905 4.120 -0.003 0.000 0.265 138 V C 1.982 178.126 176.094 0.084 0.000 1.121 138 V CA 1.519 63.913 62.300 0.157 0.000 1.142 138 V CB -1.247 30.749 31.823 0.289 0.000 0.730 138 V HN 0.514 nan 8.190 nan 0.000 0.503 139 Y N -0.045 120.265 120.300 0.017 0.000 2.569 139 Y HA -0.064 4.484 4.550 -0.003 0.000 0.293 139 Y C 1.645 177.570 175.900 0.041 0.000 1.144 139 Y CA 1.140 59.228 58.100 -0.019 0.000 1.321 139 Y CB -0.596 37.834 38.460 -0.051 0.000 0.982 139 Y HN 0.270 nan 8.280 nan 0.000 0.558 140 L N 1.125 122.064 121.223 -0.472 0.000 2.591 140 L HA 0.349 4.687 4.340 -0.003 0.000 0.228 140 L C 0.836 177.610 176.870 -0.161 0.000 1.133 140 L CA 0.337 54.916 54.840 -0.434 0.000 0.880 140 L CB -0.612 41.219 42.059 -0.379 0.000 1.033 140 L HN 0.522 nan 8.230 nan 0.000 0.450 141 G N 0.778 109.533 108.800 -0.075 0.000 2.911 141 G HA2 -0.148 3.810 3.960 -0.003 0.000 0.686 141 G HA3 -0.148 3.810 3.960 -0.003 0.000 0.686 141 G C -1.223 173.668 174.900 -0.015 0.000 1.136 141 G CA -0.794 44.289 45.100 -0.028 0.000 0.764 141 G HN 0.237 nan 8.290 nan 0.000 0.626 142 N N 0.036 118.732 118.700 -0.006 0.000 2.431 142 N HA 0.481 5.219 4.740 -0.003 0.000 0.275 142 N C -0.022 175.446 175.510 -0.070 0.000 1.091 142 N CA -0.865 52.177 53.050 -0.013 0.000 0.922 142 N CB 1.371 39.880 38.487 0.037 0.000 1.666 142 N HN 0.696 nan 8.380 nan 0.000 0.484 143 L N 2.324 123.480 121.223 -0.111 0.000 2.578 143 L HA 0.157 4.495 4.340 -0.003 0.000 0.279 143 L C 1.528 178.199 176.870 -0.332 0.000 1.227 143 L CA 1.219 55.900 54.840 -0.266 0.000 0.900 143 L CB -0.056 41.904 42.059 -0.164 0.000 1.144 143 L HN 1.011 nan 8.230 nan 0.000 0.496 144 G N 2.755 111.180 108.800 -0.626 0.000 2.155 144 G HA2 -0.292 3.666 3.960 -0.003 0.000 0.257 144 G HA3 -0.292 3.666 3.960 -0.003 0.000 0.257 144 G C 0.459 175.270 174.900 -0.148 0.000 0.983 144 G CA 0.235 45.083 45.100 -0.420 0.000 0.676 144 G HN 0.712 nan 8.290 nan 0.000 0.528 145 Q N -0.980 118.766 119.800 -0.090 0.000 2.215 145 Q HA 0.609 4.947 4.340 -0.003 0.000 0.337 145 Q C 1.877 177.942 176.000 0.109 0.000 0.887 145 Q CA 0.247 56.078 55.803 0.046 0.000 1.134 145 Q CB 0.857 29.658 28.738 0.105 0.000 1.303 145 Q HN 0.554 nan 8.270 nan 0.000 0.421 146 A N 1.868 124.750 122.820 0.103 0.000 1.917 146 A HA -0.288 4.030 4.320 -0.003 0.000 0.219 146 A C 1.925 179.708 177.584 0.330 0.000 1.182 146 A CA 2.340 54.499 52.037 0.202 0.000 0.633 146 A CB -0.404 18.722 19.000 0.211 0.000 0.819 146 A HN 0.597 nan 8.150 nan 0.000 0.448 147 N N -1.347 117.548 118.700 0.326 0.000 2.106 147 N HA -0.211 4.527 4.740 -0.003 0.000 0.188 147 N C 1.661 177.156 175.510 -0.024 0.000 1.029 147 N CA 1.981 55.071 53.050 0.066 0.000 0.848 147 N CB -0.987 37.557 38.487 0.095 0.000 1.007 147 N HN 0.501 nan 8.380 nan 0.000 0.423 148 Y N 1.135 121.412 120.300 -0.038 0.000 2.181 148 Y HA 0.062 4.609 4.550 -0.003 0.000 0.288 148 Y C 2.639 178.538 175.900 -0.002 0.000 1.146 148 Y CA 1.538 59.619 58.100 -0.032 0.000 1.164 148 Y CB -0.723 37.737 38.460 -0.000 0.000 0.982 148 Y HN 0.204 nan 8.280 nan 0.000 0.515 149 A N 0.068 122.931 122.820 0.071 0.000 1.902 149 A HA -0.089 4.229 4.320 -0.003 0.000 0.217 149 A C 2.421 180.010 177.584 0.008 0.000 1.181 149 A CA 1.902 53.953 52.037 0.024 0.000 0.623 149 A CB -1.398 17.648 19.000 0.075 0.000 0.818 149 A HN 0.537 nan 8.150 nan 0.000 0.443 150 A N 0.220 123.049 122.820 0.016 0.000 1.929 150 A HA 0.136 4.454 4.320 -0.003 0.000 0.216 150 A C 1.887 179.409 177.584 -0.103 0.000 1.176 150 A CA 1.325 53.366 52.037 0.007 0.000 0.628 150 A CB -1.033 18.021 19.000 0.090 0.000 0.816 150 A HN 0.862 nan 8.150 nan 0.000 0.444 154 G N 0.266 109.023 108.800 -0.071 0.000 2.422 154 G HA2 0.070 4.028 3.960 -0.003 0.000 0.218 154 G HA3 0.070 4.028 3.960 -0.003 0.000 0.218 154 G C 1.380 176.223 174.900 -0.095 0.000 1.140 154 G CA 1.727 46.783 45.100 -0.074 0.000 0.775 154 G HN 0.529 nan 8.290 nan 0.000 0.545 155 V N 0.506 120.348 119.914 -0.119 0.000 2.427 155 V HA -0.134 3.984 4.120 -0.003 0.000 0.248 155 V C 2.984 178.986 176.094 -0.154 0.000 1.051 155 V CA 1.223 63.457 62.300 -0.109 0.000 1.048 155 V CB -0.120 31.640 31.823 -0.105 0.000 0.666 155 V HN 0.242 nan 8.190 nan 0.000 0.456 156 V N 1.008 120.767 119.914 -0.257 0.000 2.407 156 V HA -0.185 3.933 4.120 -0.003 0.000 0.248 156 V C 2.589 178.570 176.094 -0.188 0.000 1.055 156 V CA 2.204 64.309 62.300 -0.326 0.000 1.049 156 V CB -1.288 30.142 31.823 -0.655 0.000 0.662 156 V HN 0.613 nan 8.190 nan 0.000 0.455 157 G N -0.310 108.408 108.800 -0.136 0.000 2.402 157 G HA2 -0.214 3.744 3.960 -0.003 0.000 0.216 157 G HA3 -0.214 3.744 3.960 -0.003 0.000 0.216 157 G C 1.560 176.426 174.900 -0.058 0.000 1.162 157 G CA 0.978 46.032 45.100 -0.076 0.000 0.777 157 G HN 0.445 nan 8.290 nan 0.000 0.539 158 L N 1.052 122.242 121.223 -0.056 0.000 2.017 158 L HA 0.005 4.343 4.340 -0.003 0.000 0.208 158 L C 2.822 179.679 176.870 -0.022 0.000 1.073 158 L CA 2.601 57.427 54.840 -0.023 0.000 0.745 158 L CB -1.065 40.995 42.059 0.001 0.000 0.894 158 L HN 0.162 nan 8.230 nan 0.000 0.432 159 T N -0.110 114.414 114.554 -0.050 0.000 2.684 159 T HA -0.195 4.153 4.350 -0.003 0.000 0.267 159 T C 1.968 176.643 174.700 -0.042 0.000 1.036 159 T CA 1.841 63.911 62.100 -0.050 0.000 1.148 159 T CB -0.222 68.599 68.868 -0.078 0.000 0.863 159 T HN 0.390 nan 8.240 nan 0.000 0.436 160 R N 0.476 120.946 120.500 -0.050 0.000 2.096 160 R HA -0.046 4.292 4.340 -0.003 0.000 0.235 160 R C 2.690 178.977 176.300 -0.021 0.000 1.127 160 R CA 1.539 57.617 56.100 -0.037 0.000 0.968 160 R CB -0.617 29.660 30.300 -0.037 0.000 0.861 160 R HN 0.333 nan 8.270 nan 0.000 0.440 161 T N 1.341 115.886 114.554 -0.015 0.000 2.812 161 T HA -0.053 4.295 4.350 -0.003 0.000 0.264 161 T C 1.678 176.385 174.700 0.012 0.000 1.042 161 T CA 0.757 62.856 62.100 -0.001 0.000 1.140 161 T CB -0.079 68.790 68.868 0.002 0.000 0.870 161 T HN -0.016 nan 8.240 nan 0.000 0.445 162 L N 1.261 122.491 121.223 0.011 0.000 2.131 162 L HA 0.108 4.446 4.340 -0.003 0.000 0.210 162 L C 2.722 179.602 176.870 0.017 0.000 1.092 162 L CA 1.212 56.063 54.840 0.017 0.000 0.759 162 L CB -1.269 40.793 42.059 0.005 0.000 0.903 162 L HN 0.240 nan 8.230 nan 0.000 0.435 163 A N -0.949 121.871 122.820 0.000 0.000 1.898 163 A HA -0.137 4.181 4.320 -0.003 0.000 0.216 163 A C 2.319 179.903 177.584 0.001 0.000 1.181 163 A CA 1.388 53.421 52.037 -0.006 0.000 0.620 163 A CB -0.626 18.357 19.000 -0.028 0.000 0.819 163 A HN 0.363 nan 8.150 nan 0.000 0.442 164 L N -0.670 120.553 121.223 0.000 0.000 2.017 164 L HA -0.202 4.136 4.340 -0.003 0.000 0.208 164 L C 2.615 179.499 176.870 0.024 0.000 1.073 164 L CA 1.718 56.558 54.840 0.000 0.000 0.745 164 L CB -0.585 41.474 42.059 -0.001 0.000 0.894 164 L HN 0.466 nan 8.230 nan 0.000 0.432 165 E N -0.087 120.144 120.200 0.052 0.000 2.150 165 E HA -0.164 4.184 4.350 -0.003 0.000 0.193 165 E C 2.095 178.817 176.600 0.203 0.000 0.985 165 E CA 0.950 57.413 56.400 0.105 0.000 0.814 165 E CB 0.030 29.789 29.700 0.098 0.000 0.752 165 E HN 0.496 nan 8.360 nan 0.000 0.466 166 L N -0.217 121.114 121.223 0.180 0.000 2.554 166 L HA 0.167 4.505 4.340 -0.003 0.000 0.225 166 L C 2.291 179.285 176.870 0.207 0.000 1.104 166 L CA 0.042 55.066 54.840 0.306 0.000 0.866 166 L CB -0.092 42.066 42.059 0.164 0.000 1.047 166 L HN 0.156 nan 8.230 nan 0.000 0.468 167 G N 2.049 110.888 108.800 0.065 0.000 2.553 167 G HA2 -0.328 3.630 3.960 -0.003 0.000 0.218 167 G HA3 -0.328 3.630 3.960 -0.003 0.000 0.218 167 G C 1.579 176.446 174.900 -0.054 0.000 1.195 167 G CA 1.157 46.254 45.100 -0.005 0.000 0.779 167 G HN 0.512 nan 8.290 nan 0.000 0.577 168 R N -0.603 119.784 120.500 -0.187 0.000 2.303 168 R HA -0.092 4.246 4.340 -0.003 0.000 0.225 168 R C 1.578 177.633 176.300 -0.409 0.000 1.114 168 R CA 1.338 57.219 56.100 -0.364 0.000 1.007 168 R CB -0.519 29.435 30.300 -0.576 0.000 0.861 168 R HN 0.593 nan 8.270 nan 0.000 0.471 169 W N 0.577 121.870 121.300 -0.012 0.000 3.330 169 W HA 0.380 5.038 4.660 -0.003 0.000 0.348 169 W C 0.934 177.446 176.519 -0.012 0.000 1.205 169 W CA 0.000 57.338 57.345 -0.013 0.000 1.841 169 W CB 0.548 29.997 29.460 -0.018 0.000 1.084 169 W HN 0.318 nan 8.180 nan 0.000 0.665 170 G N 1.312 110.192 108.800 0.134 0.000 2.166 170 G HA2 -0.340 3.618 3.960 -0.003 0.000 0.260 170 G HA3 -0.340 3.618 3.960 -0.003 0.000 0.260 170 G C -0.021 174.928 174.900 0.083 0.000 0.986 170 G CA -0.060 45.093 45.100 0.088 0.000 0.683 170 G HN 0.300 nan 8.290 nan 0.000 0.527 171 I N 0.924 121.560 120.570 0.109 0.000 2.312 171 I HA 0.370 4.538 4.170 -0.003 0.000 0.290 171 I C 0.882 177.021 176.117 0.038 0.000 1.008 171 I CA -0.728 60.614 61.300 0.070 0.000 1.226 171 I CB 0.962 39.009 38.000 0.078 0.000 1.371 171 I HN 0.018 nan 8.210 nan 0.000 0.468 172 R N 4.954 125.459 120.500 0.008 0.000 2.457 172 R HA 0.709 5.048 4.340 -0.003 0.000 0.284 172 R C -1.100 175.189 176.300 -0.018 0.000 1.024 172 R CA -0.713 55.377 56.100 -0.016 0.000 1.025 172 R CB 1.985 32.263 30.300 -0.036 0.000 1.063 172 R HN 0.326 nan 8.270 nan 0.000 0.493 173 V N 3.257 123.156 119.914 -0.025 0.000 2.569 173 V HA 0.361 4.479 4.120 -0.003 0.000 0.301 173 V C -0.627 175.447 176.094 -0.034 0.000 1.044 173 V CA -0.934 61.350 62.300 -0.027 0.000 0.874 173 V CB 1.692 33.501 31.823 -0.023 0.000 1.002 173 V HN 0.796 nan 8.190 nan 0.000 0.424 174 N N 1.485 120.166 118.700 -0.032 0.000 2.405 174 N HA 0.594 5.332 4.740 -0.003 0.000 0.285 174 N C -1.012 174.473 175.510 -0.042 0.000 1.262 174 N CA -0.511 52.520 53.050 -0.032 0.000 0.773 174 N CB 2.597 41.077 38.487 -0.012 0.000 1.490 174 N HN 0.621 nan 8.380 nan 0.000 0.486 175 T N 0.527 115.044 114.554 -0.062 0.000 2.848 175 T HA 0.556 4.904 4.350 -0.003 0.000 0.285 175 T C -0.737 173.907 174.700 -0.094 0.000 0.995 175 T CA -0.567 61.478 62.100 -0.090 0.000 0.970 175 T CB 0.456 69.235 68.868 -0.149 0.000 0.976 175 T HN 0.228 nan 8.240 nan 0.000 0.441 176 L N 3.645 124.832 121.223 -0.061 0.000 2.334 176 L HA 0.730 5.068 4.340 -0.003 0.000 0.277 176 L C 0.453 177.266 176.870 -0.095 0.000 1.075 176 L CA -0.935 53.885 54.840 -0.033 0.000 0.804 176 L CB 1.410 43.504 42.059 0.060 0.000 1.174 176 L HN 0.829 nan 8.230 nan 0.000 0.438 177 A N 4.302 127.038 122.820 -0.141 0.000 2.978 177 A HA 0.518 4.836 4.320 -0.003 0.000 0.341 177 A C -2.472 175.137 177.584 0.041 0.000 1.105 177 A CA -1.337 50.598 52.037 -0.169 0.000 0.819 177 A CB -0.080 18.508 19.000 -0.688 0.000 1.080 177 A HN 0.346 nan 8.150 nan 0.000 0.476 178 P HA 0.270 nan 4.420 nan 0.000 0.272 178 P C 0.601 178.012 177.300 0.185 0.000 1.230 178 P CA 0.464 63.645 63.100 0.136 0.000 0.788 178 P CB 1.559 33.320 31.700 0.102 0.000 0.949 179 G N 0.954 109.866 108.800 0.187 0.000 3.441 179 G HA2 0.227 4.185 3.960 -0.003 0.000 0.195 179 G HA3 0.227 4.185 3.960 -0.003 0.000 0.195 179 G C -1.034 174.006 174.900 0.234 0.000 1.633 179 G CA -0.228 45.004 45.100 0.220 0.000 0.895 179 G HN 0.433 nan 8.290 nan 0.000 0.654 180 F N 1.921 121.912 119.950 0.068 0.000 2.404 180 F HA 0.511 5.036 4.527 -0.003 0.000 0.359 180 F C -0.545 175.277 175.800 0.035 0.000 1.134 180 F CA -1.753 56.273 58.000 0.044 0.000 1.160 180 F CB 0.400 39.419 39.000 0.033 0.000 1.186 180 F HN -0.141 nan 8.300 nan 0.000 0.526 181 I N 5.054 125.386 120.570 -0.398 0.000 2.389 181 I HA 0.161 4.329 4.170 -0.003 0.000 0.288 181 I C -0.073 175.725 176.117 -0.531 0.000 0.999 181 I CA -0.911 60.179 61.300 -0.349 0.000 1.129 181 I CB 1.209 39.110 38.000 -0.166 0.000 1.288 181 I HN 0.438 nan 8.210 nan 0.000 0.444 182 E N 5.070 124.988 120.200 -0.471 0.000 2.328 182 E HA 0.272 4.620 4.350 -0.003 0.000 0.265 182 E C -0.118 176.343 176.600 -0.231 0.000 1.057 182 E CA 0.339 56.511 56.400 -0.380 0.000 0.916 182 E CB 0.434 30.003 29.700 -0.219 0.000 0.993 182 E HN 0.788 nan 8.360 nan 0.000 0.446 183 T N 0.979 115.409 114.554 -0.206 0.000 2.754 183 T HA 0.483 4.831 4.350 -0.003 0.000 0.296 183 T C 0.118 174.755 174.700 -0.105 0.000 1.205 183 T CA -1.109 60.908 62.100 -0.138 0.000 1.009 183 T CB 0.827 69.613 68.868 -0.137 0.000 1.368 183 T HN 0.450 nan 8.240 nan 0.000 0.509 187 A N 2.475 125.299 122.820 0.006 0.000 1.865 187 A HA -0.005 4.313 4.320 -0.003 0.000 0.217 187 A C 1.956 179.556 177.584 0.026 0.000 1.191 187 A CA 1.677 53.721 52.037 0.013 0.000 0.623 187 A CB -0.603 18.392 19.000 -0.009 0.000 0.826 187 A HN 0.360 nan 8.150 nan 0.000 0.444 188 K N -0.084 120.325 120.400 0.016 0.000 2.589 188 K HA 0.185 4.503 4.320 -0.003 0.000 0.192 188 K C -0.048 176.568 176.600 0.027 0.000 1.029 188 K CA -0.104 56.193 56.287 0.015 0.000 1.031 188 K CB -0.532 31.970 32.500 0.003 0.000 0.821 188 K HN 0.260 nan 8.250 nan 0.000 0.502 189 V N 4.414 124.360 119.914 0.052 0.000 2.485 189 V HA 0.032 4.150 4.120 -0.003 0.000 0.287 189 V C -1.901 174.215 176.094 0.035 0.000 1.022 189 V CA -1.569 60.766 62.300 0.058 0.000 1.067 189 V CB 0.154 32.055 31.823 0.130 0.000 0.967 189 V HN 0.233 nan 8.190 nan 0.000 0.479 190 P HA 0.016 nan 4.420 nan 0.000 0.261 190 P C 0.753 178.050 177.300 -0.005 0.000 1.183 190 P CA 0.065 63.167 63.100 0.003 0.000 0.761 190 P CB 0.875 32.573 31.700 -0.002 0.000 0.785 191 E N 3.004 123.205 120.200 0.002 0.000 2.086 191 E HA -0.231 4.117 4.350 -0.003 0.000 0.200 191 E C 1.538 178.127 176.600 -0.019 0.000 1.012 191 E CA 1.715 58.114 56.400 -0.002 0.000 0.812 191 E CB -0.221 29.482 29.700 0.004 0.000 0.743 191 E HN 0.384 nan 8.360 nan 0.000 0.453 192 K N 0.270 120.660 120.400 -0.017 0.000 2.160 192 K HA -0.096 4.222 4.320 -0.003 0.000 0.206 192 K C 2.076 178.652 176.600 -0.040 0.000 1.047 192 K CA 0.520 56.794 56.287 -0.022 0.000 0.930 192 K CB -0.459 32.034 32.500 -0.013 0.000 0.720 192 K HN -0.008 nan 8.250 nan 0.000 0.450 193 V N -0.087 119.796 119.914 -0.051 0.000 2.407 193 V HA -0.093 4.025 4.120 -0.003 0.000 0.245 193 V C 2.362 178.360 176.094 -0.160 0.000 1.041 193 V CA 1.409 63.658 62.300 -0.086 0.000 1.040 193 V CB -0.328 31.450 31.823 -0.075 0.000 0.671 193 V HN 0.287 nan 8.190 nan 0.000 0.455 194 R N 0.266 120.675 120.500 -0.151 0.000 2.105 194 R HA -0.206 4.132 4.340 -0.003 0.000 0.239 194 R C 2.117 178.321 176.300 -0.161 0.000 1.135 194 R CA 1.934 57.906 56.100 -0.214 0.000 0.967 194 R CB -0.095 30.173 30.300 -0.052 0.000 0.861 194 R HN 0.588 nan 8.270 nan 0.000 0.442 195 E N -0.456 119.692 120.200 -0.086 0.000 2.358 195 E HA -0.149 4.199 4.350 -0.003 0.000 0.195 195 E C 1.605 178.166 176.600 -0.065 0.000 1.010 195 E CA 0.695 57.062 56.400 -0.055 0.000 0.856 195 E CB 0.231 29.913 29.700 -0.029 0.000 0.795 195 E HN 0.066 nan 8.360 nan 0.000 0.504 196 K N 0.660 121.007 120.400 -0.088 0.000 2.211 196 K HA 0.098 4.416 4.320 -0.003 0.000 0.201 196 K C 1.725 178.265 176.600 -0.100 0.000 1.052 196 K CA 0.940 57.181 56.287 -0.076 0.000 0.973 196 K CB -0.032 32.429 32.500 -0.065 0.000 0.766 196 K HN 0.064 nan 8.250 nan 0.000 0.466 197 A N 0.789 123.503 122.820 -0.177 0.000 1.873 197 A HA -0.040 4.278 4.320 -0.003 0.000 0.215 197 A C 2.168 179.680 177.584 -0.119 0.000 1.186 197 A CA 1.420 53.328 52.037 -0.214 0.000 0.616 197 A CB -0.642 18.051 19.000 -0.512 0.000 0.823 197 A HN 0.295 nan 8.150 nan 0.000 0.442 198 I N -0.102 120.407 120.570 -0.103 0.000 2.286 198 I HA -0.286 3.882 4.170 -0.003 0.000 0.248 198 I C 2.871 178.980 176.117 -0.012 0.000 1.115 198 I CA 0.986 62.276 61.300 -0.017 0.000 1.392 198 I CB -0.252 37.751 38.000 0.005 0.000 1.065 198 I HN 0.377 nan 8.210 nan 0.000 0.418 199 A N 0.507 123.310 122.820 -0.028 0.000 2.019 199 A HA -0.046 4.272 4.320 -0.003 0.000 0.219 199 A C 2.287 179.861 177.584 -0.016 0.000 1.164 199 A CA 1.620 53.646 52.037 -0.019 0.000 0.644 199 A CB -0.487 18.500 19.000 -0.023 0.000 0.805 199 A HN 0.431 nan 8.150 nan 0.000 0.449 200 A N -1.030 121.777 122.820 -0.022 0.000 2.275 200 A HA 0.342 4.660 4.320 -0.003 0.000 0.212 200 A C 0.702 178.283 177.584 -0.005 0.000 1.201 200 A CA 0.571 52.599 52.037 -0.016 0.000 0.843 200 A CB -0.274 18.712 19.000 -0.023 0.000 0.873 200 A HN 0.230 nan 8.150 nan 0.000 0.492 201 T N 1.585 116.143 114.554 0.005 0.000 2.801 201 T HA 0.349 4.697 4.350 -0.003 0.000 0.306 201 T C -2.045 172.665 174.700 0.017 0.000 1.020 201 T CA -1.054 61.059 62.100 0.022 0.000 0.948 201 T CB 1.520 70.417 68.868 0.048 0.000 0.962 201 T HN 0.011 nan 8.240 nan 0.000 0.465 202 P HA -0.071 nan 4.420 nan 0.000 0.217 202 P C 1.190 178.498 177.300 0.013 0.000 1.151 202 P CA 0.985 64.089 63.100 0.007 0.000 0.849 202 P CB 0.072 31.772 31.700 0.000 0.000 0.787 203 L N -2.245 118.991 121.223 0.022 0.000 2.610 203 L HA 0.122 4.460 4.340 -0.003 0.000 0.232 203 L C 1.336 178.224 176.870 0.029 0.000 1.149 203 L CA 0.496 55.351 54.840 0.025 0.000 0.872 203 L CB -1.378 40.699 42.059 0.031 0.000 0.992 203 L HN 0.116 nan 8.230 nan 0.000 0.447 204 G N 2.145 110.962 108.800 0.029 0.000 2.379 204 G HA2 -0.312 3.646 3.960 -0.003 0.000 0.297 204 G HA3 -0.312 3.646 3.960 -0.003 0.000 0.297 204 G C 0.297 175.223 174.900 0.043 0.000 1.004 204 G CA 1.007 46.125 45.100 0.030 0.000 0.921 204 G HN 0.671 nan 8.290 nan 0.000 0.511 205 R N -2.428 118.109 120.500 0.063 0.000 2.728 205 R HA 0.769 5.107 4.340 -0.003 0.000 0.274 205 R C -0.131 176.247 176.300 0.131 0.000 1.030 205 R CA -0.533 55.617 56.100 0.083 0.000 0.876 205 R CB 0.252 30.587 30.300 0.060 0.000 1.259 205 R HN 1.072 nan 8.270 nan 0.000 0.468 206 A N 0.703 123.622 122.820 0.166 0.000 2.304 206 A HA 0.660 4.978 4.320 -0.003 0.000 0.271 206 A C 0.375 177.998 177.584 0.065 0.000 1.091 206 A CA 0.080 52.239 52.037 0.203 0.000 0.812 206 A CB 0.523 19.630 19.000 0.178 0.000 1.056 206 A HN 0.831 nan 8.150 nan 0.000 0.489 207 G N 0.019 108.829 108.800 0.017 0.000 2.504 207 G HA2 0.534 4.492 3.960 -0.003 0.000 0.288 207 G HA3 0.534 4.492 3.960 -0.003 0.000 0.288 207 G C -0.474 174.398 174.900 -0.047 0.000 1.182 207 G CA -0.664 44.437 45.100 0.002 0.000 0.894 207 G HN 0.721 nan 8.290 nan 0.000 0.521 208 K N 1.468 121.858 120.400 -0.018 0.000 2.203 208 K HA 0.335 4.653 4.320 -0.003 0.000 0.251 208 K C -1.535 175.048 176.600 -0.028 0.000 0.944 208 K CA -1.832 54.437 56.287 -0.030 0.000 0.829 208 K CB 2.898 35.398 32.500 0.000 0.000 1.125 208 K HN 0.165 nan 8.250 nan 0.000 0.430 209 P HA -0.242 nan 4.420 nan 0.000 0.216 209 P C 1.250 178.526 177.300 -0.039 0.000 1.150 209 P CA 1.265 64.316 63.100 -0.082 0.000 0.843 209 P CB 0.241 31.869 31.700 -0.119 0.000 0.787 210 L N 0.110 121.331 121.223 -0.003 0.000 2.081 210 L HA -0.197 4.141 4.340 -0.003 0.000 0.212 210 L C 2.438 179.403 176.870 0.158 0.000 1.080 210 L CA 1.914 56.780 54.840 0.043 0.000 0.754 210 L CB -0.582 41.533 42.059 0.093 0.000 0.893 210 L HN 0.021 nan 8.230 nan 0.000 0.433 211 E N -1.050 119.245 120.200 0.157 0.000 2.153 211 E HA -0.203 4.145 4.350 -0.003 0.000 0.194 211 E C 2.125 178.830 176.600 0.175 0.000 0.988 211 E CA 1.247 57.763 56.400 0.192 0.000 0.811 211 E CB -0.014 29.749 29.700 0.105 0.000 0.746 211 E HN 0.387 nan 8.360 nan 0.000 0.466 212 V N 1.258 121.234 119.914 0.105 0.000 2.453 212 V HA -0.195 3.924 4.120 -0.003 0.000 0.247 212 V C 2.310 178.491 176.094 0.145 0.000 1.048 212 V CA 1.596 63.959 62.300 0.106 0.000 1.049 212 V CB -0.521 31.322 31.823 0.033 0.000 0.672 212 V HN 0.292 nan 8.190 nan 0.000 0.457 213 A N -0.995 121.876 122.820 0.086 0.000 1.908 213 A HA -0.254 4.064 4.320 -0.003 0.000 0.218 213 A C 2.087 179.765 177.584 0.158 0.000 1.181 213 A CA 1.903 53.980 52.037 0.066 0.000 0.627 213 A CB -0.825 18.130 19.000 -0.075 0.000 0.818 213 A HN 0.576 nan 8.150 nan 0.000 0.445 214 Y N -0.174 120.224 120.300 0.164 0.000 2.224 214 Y HA -0.163 4.385 4.550 -0.003 0.000 0.289 214 Y C 2.895 178.917 175.900 0.204 0.000 1.146 214 Y CA 1.054 59.258 58.100 0.173 0.000 1.182 214 Y CB -0.202 38.321 38.460 0.105 0.000 0.983 214 Y HN 0.370 nan 8.280 nan 0.000 0.524 215 A N -0.052 122.967 122.820 0.331 0.000 1.902 215 A HA -0.181 4.137 4.320 -0.003 0.000 0.217 215 A C 2.391 180.174 177.584 0.332 0.000 1.181 215 A CA 1.731 53.940 52.037 0.287 0.000 0.623 215 A CB -1.211 17.915 19.000 0.209 0.000 0.818 215 A HN 0.429 nan 8.150 nan 0.000 0.443 216 A N -0.347 122.660 122.820 0.312 0.000 1.902 216 A HA -0.059 4.259 4.320 -0.003 0.000 0.217 216 A C 2.198 180.023 177.584 0.403 0.000 1.181 216 A CA 1.430 53.665 52.037 0.329 0.000 0.623 216 A CB -0.642 18.549 19.000 0.318 0.000 0.818 216 A HN 0.518 nan 8.150 nan 0.000 0.443 217 L N -1.683 119.803 121.223 0.440 0.000 1.990 217 L HA -0.218 4.120 4.340 -0.003 0.000 0.213 217 L C 2.464 179.420 176.870 0.143 0.000 1.072 217 L CA 2.461 57.417 54.840 0.193 0.000 0.755 217 L CB -0.468 41.707 42.059 0.194 0.000 0.889 217 L HN 0.511 nan 8.230 nan 0.000 0.432 218 F N 0.545 120.563 119.950 0.114 0.000 2.043 218 F HA -0.303 4.222 4.527 -0.003 0.000 0.297 218 F C 2.249 178.084 175.800 0.059 0.000 1.121 218 F CA 1.926 59.976 58.000 0.084 0.000 1.199 218 F CB -0.489 38.575 39.000 0.106 0.000 0.968 218 F HN -0.032 nan 8.300 nan 0.000 0.478 219 L N -0.350 120.888 121.223 0.026 0.000 2.131 219 L HA -0.200 4.138 4.340 -0.003 0.000 0.210 219 L C 2.471 179.278 176.870 -0.104 0.000 1.092 219 L CA 1.188 55.968 54.840 -0.100 0.000 0.759 219 L CB -0.603 41.495 42.059 0.065 0.000 0.903 219 L HN 0.332 nan 8.230 nan 0.000 0.435 220 L N -0.711 120.489 121.223 -0.038 0.000 2.209 220 L HA 0.022 4.360 4.340 -0.003 0.000 0.207 220 L C 1.785 178.581 176.870 -0.123 0.000 1.094 220 L CA 0.169 54.977 54.840 -0.053 0.000 0.790 220 L CB 0.180 42.245 42.059 0.011 0.000 0.932 220 L HN 0.286 nan 8.230 nan 0.000 0.447 221 S N -1.223 114.380 115.700 -0.162 0.000 2.600 221 S HA -0.019 4.449 4.470 -0.003 0.000 0.265 221 S C 0.759 175.271 174.600 -0.148 0.000 1.325 221 S CA -0.360 57.748 58.200 -0.153 0.000 1.002 221 S CB 0.614 63.739 63.200 -0.127 0.000 0.921 221 S HN 0.224 nan 8.310 nan 0.000 0.554 222 D N 0.854 121.193 120.400 -0.102 0.000 2.384 222 D HA -0.053 4.585 4.640 -0.003 0.000 0.222 222 D C 1.401 177.649 176.300 -0.087 0.000 0.976 222 D CA 0.778 54.731 54.000 -0.079 0.000 0.915 222 D CB -0.119 40.654 40.800 -0.045 0.000 0.896 222 D HN 0.743 nan 8.370 nan 0.000 0.523 223 E N 0.073 120.204 120.200 -0.115 0.000 2.268 223 E HA -0.079 4.269 4.350 -0.003 0.000 0.195 223 E C 1.255 177.730 176.600 -0.209 0.000 0.995 223 E CA 0.666 57.013 56.400 -0.088 0.000 0.836 223 E CB 0.124 29.830 29.700 0.010 0.000 0.763 223 E HN 0.151 nan 8.360 nan 0.000 0.491 224 S N -0.180 115.271 115.700 -0.415 0.000 2.588 224 S HA 0.092 4.560 4.470 -0.003 0.000 0.245 224 S C 1.446 175.944 174.600 -0.170 0.000 1.021 224 S CA -0.054 57.870 58.200 -0.461 0.000 1.006 224 S CB 0.371 63.025 63.200 -0.910 0.000 0.830 224 S HN 0.133 nan 8.310 nan 0.000 0.468 225 S N 0.730 116.387 115.700 -0.072 0.000 2.440 225 S HA -0.089 4.379 4.470 -0.003 0.000 0.240 225 S C 0.810 175.480 174.600 0.117 0.000 1.014 225 S CA 0.621 58.827 58.200 0.011 0.000 0.980 225 S CB -0.704 62.512 63.200 0.026 0.000 0.775 225 S HN 0.595 nan 8.310 nan 0.000 0.499 226 F N 1.596 121.518 119.950 -0.047 0.000 2.647 226 F HA 0.544 5.069 4.527 -0.003 0.000 0.300 226 F C -0.203 175.590 175.800 -0.011 0.000 1.106 226 F CA -1.730 56.258 58.000 -0.020 0.000 1.313 226 F CB 0.231 39.229 39.000 -0.004 0.000 1.007 226 F HN 0.048 nan 8.300 nan 0.000 0.536 227 I N 0.723 121.255 120.570 -0.063 0.000 2.382 227 I HA 0.339 4.507 4.170 -0.003 0.000 0.286 227 I C -0.047 176.007 176.117 -0.104 0.000 1.002 227 I CA -0.363 60.882 61.300 -0.091 0.000 1.135 227 I CB 1.685 39.681 38.000 -0.007 0.000 1.288 227 I HN -0.108 nan 8.210 nan 0.000 0.448 228 T N 3.150 117.630 114.554 -0.124 0.000 2.853 228 T HA 0.562 4.910 4.350 -0.003 0.000 0.311 228 T C 0.414 175.069 174.700 -0.075 0.000 1.307 228 T CA 0.336 62.382 62.100 -0.090 0.000 1.019 228 T CB 1.625 70.434 68.868 -0.098 0.000 1.264 228 T HN 0.968 nan 8.240 nan 0.000 0.497 229 G N 2.443 111.211 108.800 -0.054 0.000 2.160 229 G HA2 -0.166 3.792 3.960 -0.003 0.000 0.251 229 G HA3 -0.166 3.792 3.960 -0.003 0.000 0.251 229 G C -0.050 174.827 174.900 -0.038 0.000 1.008 229 G CA 0.377 45.449 45.100 -0.047 0.000 0.724 229 G HN 0.737 nan 8.290 nan 0.000 0.514 230 Q N -0.917 118.866 119.800 -0.028 0.000 2.204 230 Q HA 0.702 5.040 4.340 -0.003 0.000 0.254 230 Q C -0.003 175.978 176.000 -0.032 0.000 0.981 230 Q CA -0.756 55.043 55.803 -0.007 0.000 0.897 230 Q CB 2.276 31.032 28.738 0.030 0.000 1.273 230 Q HN 0.311 nan 8.270 nan 0.000 0.464 231 V N 2.322 122.219 119.914 -0.028 0.000 2.378 231 V HA 0.269 4.387 4.120 -0.003 0.000 0.288 231 V C -0.795 175.255 176.094 -0.074 0.000 1.016 231 V CA -0.743 61.482 62.300 -0.125 0.000 0.840 231 V CB 1.493 33.198 31.823 -0.197 0.000 0.994 231 V HN 0.507 nan 8.190 nan 0.000 0.431 232 L N 6.375 127.549 121.223 -0.082 0.000 2.276 232 L HA 0.622 4.960 4.340 -0.003 0.000 0.286 232 L C -0.726 176.136 176.870 -0.014 0.000 1.024 232 L CA 0.053 54.914 54.840 0.035 0.000 0.826 232 L CB 0.586 42.704 42.059 0.099 0.000 1.211 232 L HN 0.428 nan 8.230 nan 0.000 0.422 233 F N 4.764 124.772 119.950 0.096 0.000 2.438 233 F HA 0.348 4.873 4.527 -0.003 0.000 0.356 233 F C 0.570 176.419 175.800 0.082 0.000 1.099 233 F CA -0.166 57.893 58.000 0.098 0.000 1.185 233 F CB 1.046 40.102 39.000 0.093 0.000 1.115 233 F HN 0.111 nan 8.300 nan 0.000 0.526 234 V N 3.584 123.639 119.914 0.234 0.000 2.271 234 V HA 0.183 4.301 4.120 -0.003 0.000 0.259 234 V C -0.505 175.693 176.094 0.172 0.000 1.030 234 V CA -0.491 61.910 62.300 0.169 0.000 0.957 234 V CB 0.317 32.218 31.823 0.130 0.000 1.186 234 V HN 0.802 nan 8.190 nan 0.000 0.471 235 D N 0.919 121.433 120.400 0.190 0.000 2.582 235 D HA 0.198 4.836 4.640 -0.003 0.000 0.246 235 D C 1.333 177.706 176.300 0.122 0.000 1.334 235 D CA 0.266 54.369 54.000 0.172 0.000 0.805 235 D CB 0.541 41.471 40.800 0.218 0.000 1.087 235 D HN 0.527 nan 8.370 nan 0.000 0.499 236 G N 0.307 109.165 108.800 0.097 0.000 2.203 236 G HA2 -0.070 3.888 3.960 -0.003 0.000 0.263 236 G HA3 -0.070 3.888 3.960 -0.003 0.000 0.263 236 G C 1.238 176.165 174.900 0.045 0.000 1.012 236 G CA 0.637 45.778 45.100 0.067 0.000 0.749 236 G HN 1.464 nan 8.290 nan 0.000 0.512 237 G N -0.947 107.874 108.800 0.035 0.000 2.157 237 G HA2 -0.200 3.758 3.960 -0.003 0.000 0.248 237 G HA3 -0.200 3.758 3.960 -0.003 0.000 0.248 237 G C 1.046 175.934 174.900 -0.020 0.000 0.979 237 G CA 1.269 46.366 45.100 -0.005 0.000 0.650 237 G HN 1.574 nan 8.290 nan 0.000 0.529 238 R N 0.753 121.258 120.500 0.009 0.000 2.200 238 R HA 0.009 4.347 4.340 -0.003 0.000 0.234 238 R C 2.051 178.328 176.300 -0.038 0.000 1.127 238 R CA 2.473 58.577 56.100 0.006 0.000 0.989 238 R CB -0.547 29.786 30.300 0.054 0.000 0.869 238 R HN 0.411 nan 8.270 nan 0.000 0.459 239 T N -1.032 113.461 114.554 -0.102 0.000 3.129 239 T HA 0.297 4.645 4.350 -0.003 0.000 0.267 239 T C 1.246 175.818 174.700 -0.213 0.000 1.018 239 T CA -0.224 61.766 62.100 -0.183 0.000 0.903 239 T CB -0.150 68.522 68.868 -0.327 0.000 1.067 239 T HN 0.205 nan 8.240 nan 0.000 0.549 240 I N 0.716 121.195 120.570 -0.152 0.000 2.315 240 I HA 0.175 4.343 4.170 -0.003 0.000 0.248 240 I C 1.562 177.623 176.117 -0.094 0.000 1.117 240 I CA 0.575 61.800 61.300 -0.125 0.000 1.404 240 I CB -0.052 37.900 38.000 -0.080 0.000 1.071 240 I HN 0.315 nan 8.210 nan 0.000 0.419 241 G N -0.219 108.536 108.800 -0.076 0.000 2.605 241 G HA2 0.703 4.661 3.960 -0.003 0.000 0.296 241 G HA3 0.703 4.661 3.960 -0.003 0.000 0.296 241 G C -1.132 173.736 174.900 -0.055 0.000 1.304 241 G CA -0.338 44.727 45.100 -0.057 0.000 0.941 241 G HN 0.176 nan 8.290 nan 0.000 0.475 242 A N -0.297 122.496 122.820 -0.044 0.000 2.425 242 A HA 0.693 5.011 4.320 -0.003 0.000 0.249 242 A C 0.741 178.309 177.584 -0.027 0.000 1.084 242 A CA 0.428 52.442 52.037 -0.038 0.000 0.781 242 A CB 0.375 19.357 19.000 -0.031 0.000 1.019 242 A HN 1.882 nan 8.150 nan 0.000 0.490 243 A N 3.647 126.453 122.820 -0.024 0.000 2.309 243 A HA 0.694 5.012 4.320 -0.003 0.000 0.298 243 A C -1.231 176.347 177.584 -0.010 0.000 1.165 243 A CA -1.163 50.863 52.037 -0.017 0.000 0.821 243 A CB -0.224 18.765 19.000 -0.018 0.000 1.102 243 A HN 0.836 nan 8.150 nan 0.000 0.500 244 P HA 0.718 nan 4.420 nan 0.000 0.338 244 P C 0.243 177.549 177.300 0.009 0.000 1.308 244 P CA 0.658 63.760 63.100 0.003 0.000 0.753 244 P CB 0.317 32.019 31.700 0.003 0.000 1.579 245 A N 0.000 122.830 122.820 0.017 0.000 2.254 245 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 245 A CA 0.000 52.052 52.037 0.025 0.000 0.836 245 A CB 0.000 19.007 19.000 0.012 0.000 0.831 245 A HN 0.000 nan 8.150 nan 0.000 0.486