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_H 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 0.000 176.261 176.300 -0.064 0.000 0.893 2 R CA 0.000 56.090 56.100 -0.017 0.000 0.921 2 R CB 0.000 30.305 30.300 0.008 0.000 0.687 3 L N 1.640 122.814 121.223 -0.081 0.000 3.366 3 L HA 0.365 4.704 4.340 -0.001 0.000 0.304 3 L C 0.138 176.970 176.870 -0.062 0.000 1.292 3 L CA -0.398 54.372 54.840 -0.118 0.000 1.012 3 L CB 0.959 42.879 42.059 -0.231 0.000 1.414 3 L HN 0.023 nan 8.230 nan 0.000 0.603 4 K N 1.510 121.889 120.400 -0.035 0.000 2.405 4 K HA -0.100 4.220 4.320 -0.001 0.000 0.276 4 K C 0.127 176.717 176.600 -0.017 0.000 1.099 4 K CA 0.621 56.897 56.287 -0.017 0.000 1.120 4 K CB 0.207 32.702 32.500 -0.010 0.000 0.877 4 K HN 0.141 nan 8.250 nan 0.000 0.472 5 D N 1.803 122.196 120.400 -0.011 0.000 2.978 5 D HA -0.180 4.459 4.640 -0.001 0.000 0.205 5 D C -0.771 175.521 176.300 -0.013 0.000 1.093 5 D CA 1.230 55.223 54.000 -0.011 0.000 1.006 5 D CB -0.376 40.416 40.800 -0.013 0.000 1.116 5 D HN 0.633 nan 8.370 nan 0.000 0.419 6 K N 0.433 120.820 120.400 -0.021 0.000 2.401 6 K HA 0.435 4.755 4.320 -0.001 0.000 0.278 6 K C 0.283 176.880 176.600 -0.005 0.000 1.018 6 K CA 0.385 56.659 56.287 -0.023 0.000 0.981 6 K CB 0.887 33.358 32.500 -0.048 0.000 0.933 6 K HN 0.142 nan 8.250 nan 0.000 0.477 7 A N 3.383 126.204 122.820 0.003 0.000 2.302 7 A HA 0.382 4.702 4.320 -0.001 0.000 0.295 7 A C -0.402 177.201 177.584 0.031 0.000 1.235 7 A CA -0.571 51.478 52.037 0.020 0.000 0.876 7 A CB 0.324 19.331 19.000 0.011 0.000 1.133 7 A HN 0.417 nan 8.150 nan 0.000 0.533 8 V N 3.748 123.696 119.914 0.057 0.000 2.735 8 V HA 0.525 4.644 4.120 -0.001 0.000 0.310 8 V C -0.300 175.835 176.094 0.068 0.000 1.061 8 V CA -0.580 61.771 62.300 0.084 0.000 0.913 8 V CB 1.748 33.670 31.823 0.166 0.000 1.005 8 V HN 0.865 nan 8.190 nan 0.000 0.428 9 L N 5.259 126.500 121.223 0.030 0.000 2.346 9 L HA 0.740 5.079 4.340 -0.001 0.000 0.276 9 L C -1.219 175.652 176.870 0.001 0.000 1.006 9 L CA -0.350 54.466 54.840 -0.041 0.000 0.817 9 L CB 1.468 43.405 42.059 -0.204 0.000 1.272 9 L HN 0.599 nan 8.230 nan 0.000 0.421 10 I N 3.600 124.167 120.570 -0.005 0.000 2.499 10 I HA 0.352 4.521 4.170 -0.001 0.000 0.288 10 I C -0.062 176.076 176.117 0.034 0.000 1.048 10 I CA -0.523 60.783 61.300 0.010 0.000 1.062 10 I CB 2.396 40.396 38.000 -0.000 0.000 1.238 10 I HN 0.626 nan 8.210 nan 0.000 0.426 11 T N 0.804 115.402 114.554 0.073 0.000 2.934 11 T HA 0.544 4.893 4.350 -0.001 0.000 0.283 11 T C 1.017 175.786 174.700 0.115 0.000 1.005 11 T CA 0.046 62.209 62.100 0.104 0.000 1.041 11 T CB 1.635 70.629 68.868 0.210 0.000 1.042 11 T HN 1.064 nan 8.240 nan 0.000 0.505 12 G N 0.253 109.102 108.800 0.080 0.000 2.258 12 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.274 12 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.274 12 G C 0.961 175.934 174.900 0.120 0.000 1.021 12 G CA 0.222 45.361 45.100 0.064 0.000 0.798 12 G HN 1.507 nan 8.290 nan 0.000 0.507 13 A N -0.800 122.079 122.820 0.098 0.000 2.121 13 A HA 0.450 4.770 4.320 -0.001 0.000 0.218 13 A C 2.620 180.216 177.584 0.019 0.000 1.154 13 A CA 1.905 53.968 52.037 0.044 0.000 0.679 13 A CB -0.338 18.670 19.000 0.013 0.000 0.795 13 A HN 1.738 nan 8.150 nan 0.000 0.458 14 A N -0.755 122.106 122.820 0.068 0.000 2.021 14 A HA 0.203 4.522 4.320 -0.001 0.000 0.216 14 A C 0.951 178.444 177.584 -0.152 0.000 1.163 14 A CA 0.553 52.549 52.037 -0.068 0.000 0.676 14 A CB -0.347 18.559 19.000 -0.157 0.000 0.818 14 A HN 0.606 nan 8.150 nan 0.000 0.453 15 H N -2.243 116.770 119.070 -0.095 0.000 2.499 15 H HA 0.517 5.072 4.556 -0.001 0.000 0.352 15 H C 1.767 176.999 175.328 -0.159 0.000 1.237 15 H CA -0.282 55.697 56.048 -0.115 0.000 1.343 15 H CB -0.028 29.668 29.762 -0.110 0.000 1.578 15 H HN 0.159 nan 8.280 nan 0.000 0.577 16 G N 0.705 109.492 108.800 -0.023 0.000 3.289 16 G HA2 -0.382 3.577 3.960 -0.001 0.000 0.242 16 G HA3 -0.382 3.577 3.960 -0.001 0.000 0.242 16 G C 1.527 176.307 174.900 -0.199 0.000 1.044 16 G CA 2.056 47.088 45.100 -0.113 0.000 0.747 16 G HN 0.679 nan 8.290 nan 0.000 1.087 17 I N 1.357 121.748 120.570 -0.299 0.000 2.194 17 I HA -0.152 4.017 4.170 -0.001 0.000 0.246 17 I C 3.119 178.853 176.117 -0.638 0.000 1.093 17 I CA 1.347 62.356 61.300 -0.485 0.000 1.355 17 I CB -0.777 36.829 38.000 -0.657 0.000 1.046 17 I HN 0.388 nan 8.210 nan 0.000 0.413 18 G N 0.644 109.076 108.800 -0.614 0.000 2.418 18 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.217 18 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.217 18 G C 1.743 176.534 174.900 -0.181 0.000 1.158 18 G CA 0.808 45.711 45.100 -0.330 0.000 0.771 18 G HN 0.200 nan 8.290 nan 0.000 0.545 19 R N 1.148 121.554 120.500 -0.156 0.000 2.081 19 R HA 0.109 4.449 4.340 -0.001 0.000 0.235 19 R C 2.716 178.931 176.300 -0.141 0.000 1.131 19 R CA 1.812 57.839 56.100 -0.121 0.000 0.960 19 R CB -0.875 29.363 30.300 -0.104 0.000 0.856 19 R HN 0.237 nan 8.270 nan 0.000 0.436 20 A N -1.101 121.617 122.820 -0.170 0.000 2.015 20 A HA -0.083 4.237 4.320 -0.001 0.000 0.219 20 A C 2.113 179.575 177.584 -0.203 0.000 1.163 20 A CA 1.860 53.799 52.037 -0.163 0.000 0.646 20 A CB -0.747 18.157 19.000 -0.161 0.000 0.806 20 A HN 0.450 nan 8.150 nan 0.000 0.448 21 T N 0.115 114.510 114.554 -0.264 0.000 2.857 21 T HA -0.000 4.349 4.350 -0.001 0.000 0.266 21 T C 1.805 176.218 174.700 -0.479 0.000 1.048 21 T CA 0.974 62.818 62.100 -0.427 0.000 1.139 21 T CB -0.260 68.381 68.868 -0.378 0.000 0.874 21 T HN 0.342 nan 8.240 nan 0.000 0.455 22 L N 0.777 121.844 121.223 -0.260 0.000 1.970 22 L HA -0.159 4.180 4.340 -0.001 0.000 0.212 22 L C 2.711 179.552 176.870 -0.047 0.000 1.071 22 L CA 1.775 56.535 54.840 -0.134 0.000 0.751 22 L CB -0.477 41.537 42.059 -0.076 0.000 0.889 22 L HN 0.370 nan 8.230 nan 0.000 0.432 23 E N -0.159 120.005 120.200 -0.060 0.000 2.049 23 E HA -0.311 4.039 4.350 -0.001 0.000 0.198 23 E C 2.217 178.826 176.600 0.016 0.000 1.007 23 E CA 1.418 57.805 56.400 -0.022 0.000 0.809 23 E CB -0.235 29.438 29.700 -0.045 0.000 0.749 23 E HN 0.392 nan 8.360 nan 0.000 0.450 24 L N 0.263 121.479 121.223 -0.012 0.000 1.990 24 L HA -0.221 4.118 4.340 -0.001 0.000 0.213 24 L C 2.332 179.356 176.870 0.255 0.000 1.072 24 L CA 1.582 56.451 54.840 0.048 0.000 0.755 24 L CB -0.282 41.746 42.059 -0.050 0.000 0.889 24 L HN 0.145 nan 8.230 nan 0.000 0.432 25 F N 0.329 120.261 119.950 -0.032 0.000 2.161 25 F HA -0.178 4.349 4.527 -0.001 0.000 0.300 25 F C 2.721 178.525 175.800 0.006 0.000 1.089 25 F CA 0.851 58.850 58.000 -0.001 0.000 1.282 25 F CB -1.513 37.494 39.000 0.011 0.000 1.010 25 F HN 0.157 nan 8.300 nan 0.000 0.485 26 A N 0.138 123.079 122.820 0.201 0.000 1.902 26 A HA -0.221 4.098 4.320 -0.001 0.000 0.217 26 A C 2.274 179.907 177.584 0.081 0.000 1.181 26 A CA 1.722 53.826 52.037 0.111 0.000 0.623 26 A CB -0.662 18.382 19.000 0.073 0.000 0.818 26 A HN 0.352 nan 8.150 nan 0.000 0.443 27 K N -0.331 120.116 120.400 0.080 0.000 2.211 27 K HA -0.067 4.253 4.320 -0.001 0.000 0.203 27 K C 0.965 177.601 176.600 0.059 0.000 1.050 27 K CA 1.011 57.335 56.287 0.062 0.000 0.945 27 K CB -0.005 32.533 32.500 0.062 0.000 0.732 27 K HN 0.326 nan 8.250 nan 0.000 0.451 28 E N 0.001 120.240 120.200 0.064 0.000 2.463 28 E HA 0.015 4.364 4.350 -0.001 0.000 0.191 28 E C 0.786 177.390 176.600 0.006 0.000 1.083 28 E CA 0.291 56.708 56.400 0.028 0.000 0.872 28 E CB 0.353 30.046 29.700 -0.011 0.000 0.966 28 E HN 0.485 nan 8.360 nan 0.000 0.491 29 G N 1.021 109.835 108.800 0.025 0.000 2.147 29 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.244 29 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.244 29 G C 0.474 175.382 174.900 0.013 0.000 1.005 29 G CA 0.276 45.386 45.100 0.017 0.000 0.713 29 G HN 0.505 nan 8.290 nan 0.000 0.515 30 A N -0.347 122.487 122.820 0.025 0.000 2.322 30 A HA 0.783 5.103 4.320 -0.001 0.000 0.269 30 A C 0.694 178.314 177.584 0.059 0.000 1.094 30 A CA -0.239 51.815 52.037 0.030 0.000 0.807 30 A CB 0.436 19.462 19.000 0.043 0.000 1.047 30 A HN 0.489 nan 8.150 nan 0.000 0.487 31 R N 1.226 121.758 120.500 0.053 0.000 2.204 31 R HA 0.455 4.794 4.340 -0.001 0.000 0.341 31 R C -1.093 175.266 176.300 0.099 0.000 1.035 31 R CA -0.005 56.139 56.100 0.072 0.000 0.887 31 R CB 0.504 30.829 30.300 0.043 0.000 1.114 31 R HN 0.625 nan 8.270 nan 0.000 0.473 32 L N 2.285 123.576 121.223 0.114 0.000 2.344 32 L HA 0.594 4.933 4.340 -0.001 0.000 0.272 32 L C -0.304 176.615 176.870 0.083 0.000 1.035 32 L CA -1.164 53.739 54.840 0.104 0.000 0.807 32 L CB 1.738 43.857 42.059 0.102 0.000 1.237 32 L HN 0.209 nan 8.230 nan 0.000 0.442 33 V N 1.538 121.477 119.914 0.041 0.000 2.443 33 V HA 0.592 4.711 4.120 -0.001 0.000 0.293 33 V C -0.100 175.975 176.094 -0.032 0.000 1.021 33 V CA -0.571 61.726 62.300 -0.005 0.000 0.848 33 V CB 1.617 33.418 31.823 -0.036 0.000 0.998 33 V HN 0.835 nan 8.190 nan 0.000 0.424 34 A N 4.324 127.113 122.820 -0.050 0.000 2.274 34 A HA 0.701 5.021 4.320 -0.001 0.000 0.309 34 A C -0.334 177.213 177.584 -0.061 0.000 1.226 34 A CA -0.245 51.764 52.037 -0.047 0.000 0.853 34 A CB 0.566 19.535 19.000 -0.051 0.000 1.146 34 A HN 0.834 nan 8.150 nan 0.000 0.518 35 C N 2.073 121.354 119.300 -0.033 0.000 2.455 35 C HA 0.897 5.357 4.460 -0.001 0.000 0.320 35 C C -0.308 174.694 174.990 0.020 0.000 1.226 35 C CA -0.386 58.620 59.018 -0.021 0.000 1.569 35 C CB 1.296 29.022 27.740 -0.023 0.000 2.200 35 C HN 1.007 nan 8.230 nan 0.000 0.491 36 D N 0.010 120.423 120.400 0.023 0.000 2.725 36 D HA 0.203 4.843 4.640 -0.001 0.000 0.292 36 D C 0.094 176.422 176.300 0.046 0.000 1.288 36 D CA -0.566 53.469 54.000 0.059 0.000 0.784 36 D CB 1.259 42.113 40.800 0.090 0.000 1.308 36 D HN 0.325 nan 8.370 nan 0.000 0.429 37 I N 0.931 121.543 120.570 0.069 0.000 2.406 37 I HA 0.016 4.185 4.170 -0.001 0.000 0.249 37 I C 0.310 176.445 176.117 0.029 0.000 1.122 37 I CA 1.241 62.570 61.300 0.048 0.000 1.431 37 I CB 0.186 38.218 38.000 0.054 0.000 1.087 37 I HN 0.228 nan 8.210 nan 0.000 0.424 38 E N 0.880 121.096 120.200 0.028 0.000 2.109 38 E HA 0.078 4.428 4.350 -0.001 0.000 0.278 38 E C 0.476 177.061 176.600 -0.026 0.000 0.954 38 E CA -0.170 56.228 56.400 -0.003 0.000 0.779 38 E CB 1.313 31.006 29.700 -0.013 0.000 1.093 38 E HN 0.227 nan 8.360 nan 0.000 0.401 39 E N 3.298 123.481 120.200 -0.029 0.000 2.085 39 E HA -0.193 4.157 4.350 -0.001 0.000 0.194 39 E C 1.812 178.381 176.600 -0.052 0.000 0.994 39 E CA 1.373 57.747 56.400 -0.043 0.000 0.801 39 E CB -0.043 29.633 29.700 -0.040 0.000 0.743 39 E HN 0.778 nan 8.360 nan 0.000 0.453 40 G N 1.774 110.545 108.800 -0.048 0.000 2.679 40 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.217 40 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.217 40 G C -0.591 174.269 174.900 -0.065 0.000 1.267 40 G CA 1.331 46.400 45.100 -0.052 0.000 0.799 40 G HN 0.391 nan 8.290 nan 0.000 0.606 41 P HA -0.015 nan 4.420 nan 0.000 0.226 41 P C 2.045 179.286 177.300 -0.099 0.000 1.153 41 P CA 0.574 63.612 63.100 -0.104 0.000 0.777 41 P CB 0.022 31.630 31.700 -0.153 0.000 0.794 42 L N -0.040 121.134 121.223 -0.083 0.000 2.023 42 L HA -0.090 4.250 4.340 -0.001 0.000 0.205 42 L C 2.856 179.678 176.870 -0.080 0.000 1.073 42 L CA 1.467 56.263 54.840 -0.074 0.000 0.745 42 L CB -0.314 41.707 42.059 -0.063 0.000 0.900 42 L HN -0.145 nan 8.230 nan 0.000 0.435 43 R N -0.338 120.114 120.500 -0.081 0.000 2.103 43 R HA -0.245 4.094 4.340 -0.001 0.000 0.242 43 R C 2.170 178.428 176.300 -0.069 0.000 1.142 43 R CA 1.784 57.834 56.100 -0.083 0.000 0.960 43 R CB -0.510 29.745 30.300 -0.075 0.000 0.858 43 R HN 0.511 nan 8.270 nan 0.000 0.439 44 E N 0.988 121.150 120.200 -0.064 0.000 2.047 44 E HA -0.172 4.177 4.350 -0.001 0.000 0.191 44 E C 2.002 178.568 176.600 -0.057 0.000 0.987 44 E CA 1.240 57.606 56.400 -0.057 0.000 0.799 44 E CB -0.031 29.634 29.700 -0.058 0.000 0.752 44 E HN 0.331 nan 8.360 nan 0.000 0.449 45 A N 1.286 124.066 122.820 -0.066 0.000 1.940 45 A HA -0.125 4.194 4.320 -0.001 0.000 0.219 45 A C 2.368 179.920 177.584 -0.052 0.000 1.176 45 A CA 2.068 54.067 52.037 -0.063 0.000 0.631 45 A CB -0.639 18.318 19.000 -0.073 0.000 0.814 45 A HN 0.408 nan 8.150 nan 0.000 0.446 46 A N -0.340 122.445 122.820 -0.057 0.000 1.872 46 A HA -0.109 4.211 4.320 -0.001 0.000 0.214 46 A C 1.922 179.484 177.584 -0.036 0.000 1.187 46 A CA 1.464 53.469 52.037 -0.052 0.000 0.614 46 A CB -0.483 18.467 19.000 -0.084 0.000 0.826 46 A HN 0.608 nan 8.150 nan 0.000 0.442 47 E N -0.130 120.047 120.200 -0.039 0.000 2.110 47 E HA -0.107 4.243 4.350 -0.001 0.000 0.193 47 E C 2.148 178.739 176.600 -0.016 0.000 0.988 47 E CA 0.887 57.273 56.400 -0.024 0.000 0.804 47 E CB -0.277 29.406 29.700 -0.028 0.000 0.745 47 E HN 0.600 nan 8.360 nan 0.000 0.458 48 A N 0.592 123.399 122.820 -0.022 0.000 2.125 48 A HA -0.075 4.244 4.320 -0.001 0.000 0.219 48 A C 2.127 179.706 177.584 -0.009 0.000 1.156 48 A CA 0.915 52.941 52.037 -0.017 0.000 0.671 48 A CB 0.142 19.127 19.000 -0.026 0.000 0.794 48 A HN 0.146 nan 8.150 nan 0.000 0.459 49 V N -2.349 117.562 119.914 -0.006 0.000 3.604 49 V HA 0.369 4.489 4.120 -0.001 0.000 0.277 49 V C 1.530 177.636 176.094 0.021 0.000 1.399 49 V CA 0.910 63.214 62.300 0.007 0.000 1.034 49 V CB 0.306 32.131 31.823 0.004 0.000 0.824 49 V HN 1.026 nan 8.190 nan 0.000 0.439 50 G N 0.734 109.545 108.800 0.019 0.000 2.141 50 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.231 50 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.231 50 G C 0.252 175.183 174.900 0.052 0.000 0.984 50 G CA 0.323 45.444 45.100 0.035 0.000 0.660 50 G HN 1.011 nan 8.290 nan 0.000 0.525 51 A N -0.048 122.793 122.820 0.034 0.000 2.271 51 A HA 0.675 4.995 4.320 -0.001 0.000 0.288 51 A C 0.223 177.818 177.584 0.017 0.000 1.094 51 A CA -0.215 51.846 52.037 0.039 0.000 0.828 51 A CB 0.456 19.466 19.000 0.016 0.000 1.091 51 A HN 0.711 nan 8.150 nan 0.000 0.493 52 H N 2.297 121.286 119.070 -0.136 0.000 2.594 52 H HA 0.320 4.876 4.556 -0.000 0.000 0.304 52 H C -2.490 172.718 175.328 -0.199 0.000 1.068 52 H CA -1.721 54.167 56.048 -0.267 0.000 1.308 52 H CB 1.216 30.543 29.762 -0.724 0.000 1.409 52 H HN 0.404 nan 8.280 nan 0.000 0.460 53 P HA 0.062 nan 4.420 nan 0.000 0.282 53 P C -0.949 176.117 177.300 -0.388 0.000 1.262 53 P CA -0.345 62.547 63.100 -0.346 0.000 0.773 53 P CB 1.617 33.163 31.700 -0.255 0.000 0.879 54 V N 4.976 124.762 119.914 -0.213 0.000 2.488 54 V HA 0.133 4.253 4.120 -0.001 0.000 0.293 54 V C 0.817 176.862 176.094 -0.082 0.000 1.027 54 V CA -0.752 61.463 62.300 -0.141 0.000 0.862 54 V CB 1.916 33.682 31.823 -0.096 0.000 1.008 54 V HN 0.311 nan 8.190 nan 0.000 0.428 58 V N 1.702 121.666 119.914 0.083 0.000 2.794 58 V HA -0.098 4.021 4.120 -0.001 0.000 0.260 58 V C 1.838 177.971 176.094 0.065 0.000 1.103 58 V CA 2.153 64.512 62.300 0.098 0.000 1.125 58 V CB -0.882 31.059 31.823 0.196 0.000 0.702 58 V HN 0.472 nan 8.190 nan 0.000 0.494 59 A N -0.249 122.603 122.820 0.053 0.000 2.169 59 A HA 0.098 4.417 4.320 -0.001 0.000 0.212 59 A C 1.145 178.747 177.584 0.030 0.000 1.153 59 A CA 0.793 52.853 52.037 0.039 0.000 0.756 59 A CB -0.289 18.729 19.000 0.031 0.000 0.813 59 A HN 0.615 nan 8.150 nan 0.000 0.471 60 D N -0.849 119.568 120.400 0.029 0.000 2.349 60 D HA 0.371 5.011 4.640 -0.001 0.000 0.232 60 D C -2.076 174.234 176.300 0.015 0.000 1.071 60 D CA -2.191 51.822 54.000 0.022 0.000 0.832 60 D CB 1.729 42.543 40.800 0.023 0.000 1.086 60 D HN -0.095 nan 8.370 nan 0.000 0.504 61 P HA -0.124 nan 4.420 nan 0.000 0.216 61 P C 0.914 178.208 177.300 -0.010 0.000 1.153 61 P CA 1.464 64.558 63.100 -0.010 0.000 0.858 61 P CB 0.292 31.991 31.700 -0.003 0.000 0.789 62 A N -1.014 121.807 122.820 0.003 0.000 1.968 62 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 62 A C 2.489 180.085 177.584 0.020 0.000 1.169 62 A CA 1.896 53.938 52.037 0.007 0.000 0.638 62 A CB -1.512 17.494 19.000 0.009 0.000 0.812 62 A HN 0.192 nan 8.150 nan 0.000 0.446 63 S N -0.590 115.126 115.700 0.026 0.000 2.368 63 S HA -0.111 4.358 4.470 -0.001 0.000 0.224 63 S C 1.917 176.557 174.600 0.067 0.000 1.029 63 S CA 1.540 59.763 58.200 0.040 0.000 0.988 63 S CB -0.420 62.803 63.200 0.037 0.000 0.838 63 S HN 0.277 nan 8.310 nan 0.000 0.462 64 V N 1.535 121.489 119.914 0.066 0.000 2.343 64 V HA -0.151 3.968 4.120 -0.001 0.000 0.247 64 V C 2.504 178.691 176.094 0.156 0.000 1.051 64 V CA 2.291 64.663 62.300 0.121 0.000 1.036 64 V CB -0.734 31.097 31.823 0.013 0.000 0.654 64 V HN 0.558 nan 8.190 nan 0.000 0.451 65 E N -0.100 120.130 120.200 0.049 0.000 2.031 65 E HA -0.224 4.126 4.350 -0.001 0.000 0.193 65 E C 2.526 179.180 176.600 0.091 0.000 0.994 65 E CA 1.345 57.767 56.400 0.037 0.000 0.800 65 E CB -0.085 29.610 29.700 -0.009 0.000 0.752 65 E HN 0.450 nan 8.360 nan 0.000 0.447 66 R N -0.476 120.065 120.500 0.068 0.000 2.091 66 R HA -0.116 4.224 4.340 -0.001 0.000 0.238 66 R C 2.474 178.822 176.300 0.080 0.000 1.136 66 R CA 1.110 57.246 56.100 0.061 0.000 0.959 66 R CB -0.544 29.780 30.300 0.040 0.000 0.856 66 R HN 0.272 nan 8.270 nan 0.000 0.437 67 G N 0.416 109.277 108.800 0.101 0.000 2.440 67 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.218 67 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.218 67 G C 1.117 176.038 174.900 0.035 0.000 1.154 67 G CA 0.619 45.759 45.100 0.067 0.000 0.767 67 G HN 0.184 nan 8.290 nan 0.000 0.552 68 F N 1.640 121.584 119.950 -0.010 0.000 2.259 68 F HA 0.176 4.702 4.527 -0.001 0.000 0.298 68 F C 2.933 178.731 175.800 -0.004 0.000 1.088 68 F CA 0.614 58.607 58.000 -0.012 0.000 1.358 68 F CB -0.211 38.767 39.000 -0.037 0.000 1.040 68 F HN 0.241 nan 8.300 nan 0.000 0.505 69 A N -0.180 122.730 122.820 0.150 0.000 1.902 69 A HA -0.185 4.135 4.320 -0.001 0.000 0.217 69 A C 2.168 179.784 177.584 0.054 0.000 1.181 69 A CA 1.712 53.800 52.037 0.083 0.000 0.623 69 A CB -0.666 18.371 19.000 0.060 0.000 0.818 69 A HN 0.392 nan 8.150 nan 0.000 0.443 70 E N -0.317 119.911 120.200 0.047 0.000 2.077 70 E HA -0.121 4.228 4.350 -0.001 0.000 0.193 70 E C 2.377 179.002 176.600 0.043 0.000 0.989 70 E CA 0.911 57.341 56.400 0.050 0.000 0.800 70 E CB -0.284 29.451 29.700 0.058 0.000 0.746 70 E HN 0.610 nan 8.360 nan 0.000 0.452 71 A N 1.464 124.277 122.820 -0.012 0.000 1.883 71 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 71 A C 2.142 179.732 177.584 0.010 0.000 1.186 71 A CA 1.049 53.063 52.037 -0.038 0.000 0.624 71 A CB -0.495 18.371 19.000 -0.223 0.000 0.822 71 A HN 0.139 nan 8.150 nan 0.000 0.444 72 L N -0.770 120.460 121.223 0.013 0.000 2.141 72 L HA -0.136 4.204 4.340 -0.001 0.000 0.209 72 L C 2.941 179.818 176.870 0.011 0.000 1.094 72 L CA 1.883 56.737 54.840 0.022 0.000 0.763 72 L CB -1.576 40.509 42.059 0.043 0.000 0.908 72 L HN 0.481 nan 8.230 nan 0.000 0.437 73 A N -1.500 121.331 122.820 0.020 0.000 1.969 73 A HA -0.227 4.093 4.320 -0.001 0.000 0.218 73 A C 2.287 179.862 177.584 -0.014 0.000 1.169 73 A CA 1.290 53.330 52.037 0.005 0.000 0.635 73 A CB -0.679 18.332 19.000 0.018 0.000 0.810 73 A HN 0.509 nan 8.150 nan 0.000 0.445 74 H N -0.345 118.654 119.070 -0.117 0.000 2.384 74 H HA 0.126 4.682 4.556 -0.000 0.000 0.300 74 H C 1.766 177.012 175.328 -0.137 0.000 1.057 74 H CA 1.531 57.461 56.048 -0.197 0.000 1.370 74 H CB 0.017 29.551 29.762 -0.381 0.000 1.417 74 H HN 0.411 nan 8.280 nan 0.000 0.527 75 L N -0.823 120.365 121.223 -0.059 0.000 2.202 75 L HA 0.112 4.452 4.340 -0.001 0.000 0.205 75 L C 2.070 178.890 176.870 -0.084 0.000 1.083 75 L CA 0.827 55.618 54.840 -0.081 0.000 0.790 75 L CB 0.026 42.094 42.059 0.015 0.000 0.942 75 L HN 0.553 nan 8.230 nan 0.000 0.452 76 G N 0.686 109.453 108.800 -0.054 0.000 2.199 76 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.254 76 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.254 76 G C 0.411 175.297 174.900 -0.025 0.000 0.982 76 G CA 0.491 45.565 45.100 -0.044 0.000 0.632 76 G HN 0.475 nan 8.290 nan 0.000 0.529 77 R N -1.205 119.286 120.500 -0.015 0.000 2.765 77 R HA 0.642 4.981 4.340 -0.001 0.000 0.277 77 R C -2.326 173.979 176.300 0.009 0.000 1.028 77 R CA -0.982 55.116 56.100 -0.003 0.000 0.860 77 R CB 0.286 30.581 30.300 -0.009 0.000 1.270 77 R HN 0.425 nan 8.270 nan 0.000 0.484 78 L N 2.286 123.520 121.223 0.019 0.000 2.406 78 L HA 0.380 4.720 4.340 -0.001 0.000 0.272 78 L C -0.440 176.446 176.870 0.026 0.000 0.980 78 L CA -0.548 54.311 54.840 0.031 0.000 0.831 78 L CB 2.161 44.260 42.059 0.067 0.000 1.253 78 L HN 0.794 nan 8.230 nan 0.000 0.406 79 D N 2.438 122.850 120.400 0.019 0.000 2.388 79 D HA 0.227 4.867 4.640 -0.001 0.000 0.208 79 D C 0.642 176.950 176.300 0.013 0.000 1.035 79 D CA 0.465 54.471 54.000 0.010 0.000 0.875 79 D CB 1.789 42.587 40.800 -0.004 0.000 0.984 79 D HN 0.623 nan 8.370 nan 0.000 0.508 80 G N -0.225 108.592 108.800 0.028 0.000 2.632 80 G HA2 0.475 4.435 3.960 -0.001 0.000 0.292 80 G HA3 0.475 4.435 3.960 -0.001 0.000 0.292 80 G C -1.803 173.138 174.900 0.068 0.000 1.465 80 G CA -0.396 44.727 45.100 0.038 0.000 0.824 80 G HN -0.067 nan 8.290 nan 0.000 0.509 81 V N -0.128 119.829 119.914 0.071 0.000 2.808 81 V HA 0.664 4.783 4.120 -0.001 0.000 0.308 81 V C -0.684 175.436 176.094 0.044 0.000 1.099 81 V CA -0.702 61.644 62.300 0.078 0.000 0.920 81 V CB 2.109 34.004 31.823 0.119 0.000 1.014 81 V HN 0.744 nan 8.190 nan 0.000 0.425 82 V N 3.376 123.291 119.914 0.002 0.000 2.407 82 V HA 0.407 4.527 4.120 -0.001 0.000 0.291 82 V C -0.803 175.145 176.094 -0.243 0.000 1.018 82 V CA -0.644 61.557 62.300 -0.166 0.000 0.842 82 V CB 1.503 33.175 31.823 -0.251 0.000 0.996 82 V HN 0.944 nan 8.190 nan 0.000 0.426 83 H N 3.753 122.616 119.070 -0.345 0.000 2.519 83 H HA 0.485 5.041 4.556 -0.001 0.000 0.316 83 H C -0.464 174.669 175.328 -0.325 0.000 1.065 83 H CA -0.096 55.807 56.048 -0.241 0.000 1.264 83 H CB 0.867 30.564 29.762 -0.108 0.000 1.413 83 H HN 0.623 nan 8.280 nan 0.000 0.465 84 Y N 2.837 122.908 120.300 -0.383 0.000 2.664 84 Y HA 0.321 4.871 4.550 -0.001 0.000 0.278 84 Y C 1.525 177.158 175.900 -0.445 0.000 1.130 84 Y CA -0.020 57.873 58.100 -0.344 0.000 1.260 84 Y CB 0.223 38.568 38.460 -0.193 0.000 1.369 84 Y HN 0.742 nan 8.280 nan 0.000 0.499 85 A N 1.984 124.618 122.820 -0.311 0.000 2.568 85 A HA 0.282 4.602 4.320 -0.001 0.000 0.273 85 A C 0.674 178.140 177.584 -0.196 0.000 0.978 85 A CA 1.512 53.411 52.037 -0.230 0.000 0.946 85 A CB -1.183 17.757 19.000 -0.100 0.000 0.842 85 A HN 0.459 nan 8.150 nan 0.000 0.484 86 G N 1.153 109.882 108.800 -0.118 0.000 2.692 86 G HA2 0.710 4.670 3.960 -0.001 0.000 0.291 86 G HA3 0.710 4.670 3.960 -0.001 0.000 0.291 86 G C -0.714 174.168 174.900 -0.030 0.000 1.423 86 G CA -0.135 44.949 45.100 -0.026 0.000 0.843 86 G HN 1.641 nan 8.290 nan 0.000 0.486 87 I N -2.239 118.344 120.570 0.021 0.000 3.279 87 I HA 0.947 5.117 4.170 -0.001 0.000 0.315 87 I C -0.440 175.639 176.117 -0.064 0.000 1.225 87 I CA -1.088 60.187 61.300 -0.042 0.000 0.947 87 I CB 2.358 40.334 38.000 -0.040 0.000 1.293 87 I HN 0.775 nan 8.210 nan 0.000 0.468 88 T N 0.074 114.538 114.554 -0.151 0.000 2.896 88 T HA 0.758 5.107 4.350 -0.001 0.000 0.297 88 T C -0.569 174.059 174.700 -0.119 0.000 1.108 88 T CA -0.790 61.180 62.100 -0.216 0.000 1.004 88 T CB 2.162 70.765 68.868 -0.442 0.000 1.159 88 T HN 0.766 nan 8.240 nan 0.000 0.499 89 R N 1.232 121.679 120.500 -0.089 0.000 2.837 89 R HA 0.372 4.712 4.340 -0.001 0.000 0.245 89 R C -1.398 174.869 176.300 -0.054 0.000 1.712 89 R CA -0.532 55.536 56.100 -0.053 0.000 1.539 89 R CB -0.137 30.154 30.300 -0.014 0.000 1.490 89 R HN 0.728 nan 8.270 nan 0.000 0.667 90 D N 1.053 121.395 120.400 -0.096 0.000 2.400 90 D HA 0.262 4.902 4.640 -0.001 0.000 0.238 90 D C -0.006 176.209 176.300 -0.141 0.000 1.157 90 D CA 0.845 54.769 54.000 -0.127 0.000 0.889 90 D CB 0.459 41.163 40.800 -0.159 0.000 1.199 90 D HN 0.200 nan 8.370 nan 0.000 0.436 91 N N -0.202 118.363 118.700 -0.225 0.000 5.240 91 N HA 0.018 4.758 4.740 -0.001 0.000 0.179 91 N C -1.431 173.841 175.510 -0.397 0.000 1.071 91 N CA -0.558 52.330 53.050 -0.271 0.000 0.951 91 N CB 0.030 38.438 38.487 -0.132 0.000 1.566 91 N HN 0.114 nan 8.380 nan 0.000 0.633 92 F N 2.661 122.338 119.950 -0.455 0.000 2.518 92 F HA 0.090 4.617 4.527 -0.001 0.000 0.359 92 F C 2.461 177.843 175.800 -0.698 0.000 1.118 92 F CA -0.115 57.438 58.000 -0.746 0.000 1.287 92 F CB 0.554 38.592 39.000 -1.605 0.000 1.132 92 F HN 0.558 nan 8.300 nan 0.000 0.587 93 H N 1.551 120.487 119.070 -0.222 0.000 2.394 93 H HA -0.279 4.276 4.556 -0.001 0.000 0.297 93 H C 1.692 177.028 175.328 0.013 0.000 1.113 93 H CA 2.172 58.191 56.048 -0.048 0.000 1.277 93 H CB -1.238 28.561 29.762 0.062 0.000 1.370 93 H HN 0.854 nan 8.280 nan 0.000 0.506 94 W N 2.290 123.331 121.300 -0.433 0.000 2.611 94 W HA 0.295 4.955 4.660 -0.001 0.000 0.251 94 W C 0.390 176.873 176.519 -0.060 0.000 1.265 94 W CA -0.506 56.702 57.345 -0.229 0.000 1.295 94 W CB 0.139 29.416 29.460 -0.306 0.000 1.129 94 W HN -0.081 nan 8.180 nan 0.000 0.630 98 L N 1.295 122.579 121.223 0.103 0.000 2.021 98 L HA -0.287 4.053 4.340 -0.001 0.000 0.215 98 L C 2.299 179.287 176.870 0.196 0.000 1.074 98 L CA 2.724 57.651 54.840 0.145 0.000 0.760 98 L CB -0.041 42.073 42.059 0.092 0.000 0.889 98 L HN 0.626 nan 8.230 nan 0.000 0.433 99 E N -0.719 119.556 120.200 0.126 0.000 2.097 99 E HA -0.293 4.057 4.350 -0.001 0.000 0.196 99 E C 1.565 178.228 176.600 0.104 0.000 1.000 99 E CA 1.759 58.220 56.400 0.102 0.000 0.804 99 E CB -0.411 29.330 29.700 0.067 0.000 0.740 99 E HN 0.509 nan 8.360 nan 0.000 0.454 100 D N 0.087 120.555 120.400 0.113 0.000 2.178 100 D HA -0.135 4.504 4.640 -0.001 0.000 0.202 100 D C 1.333 177.708 176.300 0.126 0.000 0.974 100 D CA 0.821 54.877 54.000 0.093 0.000 0.841 100 D CB -0.400 40.449 40.800 0.082 0.000 0.953 100 D HN 0.408 nan 8.370 nan 0.000 0.478 101 W N 1.893 123.206 121.300 0.022 0.000 2.409 101 W HA -0.083 4.576 4.660 -0.001 0.000 0.299 101 W C 1.357 177.893 176.519 0.029 0.000 1.203 101 W CA 0.984 58.346 57.345 0.029 0.000 1.298 101 W CB -0.048 29.431 29.460 0.032 0.000 1.127 101 W HN 0.006 nan 8.180 nan 0.000 0.528 102 E N 0.605 120.874 120.200 0.116 0.000 2.208 102 E HA -0.201 4.148 4.350 -0.001 0.000 0.193 102 E C 2.105 178.666 176.600 -0.064 0.000 0.988 102 E CA 0.989 57.390 56.400 0.002 0.000 0.828 102 E CB -0.317 29.463 29.700 0.134 0.000 0.763 102 E HN 0.165 nan 8.360 nan 0.000 0.478 103 L N 0.973 122.178 121.223 -0.029 0.000 2.027 103 L HA -0.145 4.195 4.340 -0.001 0.000 0.206 103 L C 2.436 179.269 176.870 -0.063 0.000 1.074 103 L CA 1.307 56.129 54.840 -0.029 0.000 0.745 103 L CB -0.362 41.694 42.059 -0.004 0.000 0.898 103 L HN 0.070 nan 8.230 nan 0.000 0.433 104 V N -2.888 116.968 119.914 -0.097 0.000 2.515 104 V HA -0.202 3.918 4.120 -0.001 0.000 0.250 104 V C 2.311 178.312 176.094 -0.156 0.000 1.058 104 V CA 1.687 63.930 62.300 -0.095 0.000 1.064 104 V CB -0.918 30.861 31.823 -0.073 0.000 0.675 104 V HN 0.439 nan 8.190 nan 0.000 0.461 105 L N -0.250 120.806 121.223 -0.279 0.000 2.072 105 L HA -0.059 4.280 4.340 -0.001 0.000 0.205 105 L C 3.017 179.805 176.870 -0.138 0.000 1.079 105 L CA 2.112 56.782 54.840 -0.283 0.000 0.752 105 L CB -0.580 41.233 42.059 -0.410 0.000 0.906 105 L HN 0.309 nan 8.230 nan 0.000 0.436 106 R N -0.043 120.398 120.500 -0.098 0.000 2.070 106 R HA -0.146 4.193 4.340 -0.001 0.000 0.233 106 R C 2.197 178.491 176.300 -0.010 0.000 1.137 106 R CA 1.665 57.743 56.100 -0.038 0.000 0.945 106 R CB -0.145 30.143 30.300 -0.020 0.000 0.845 106 R HN 0.125 nan 8.270 nan 0.000 0.430 107 V N 1.513 121.420 119.914 -0.012 0.000 2.283 107 V HA -0.202 3.917 4.120 -0.001 0.000 0.243 107 V C 1.787 177.905 176.094 0.040 0.000 1.039 107 V CA 1.918 64.228 62.300 0.017 0.000 1.016 107 V CB -0.561 31.268 31.823 0.009 0.000 0.650 107 V HN 0.405 nan 8.190 nan 0.000 0.449 108 N N -0.019 118.688 118.700 0.012 0.000 2.092 108 N HA -0.063 4.676 4.740 -0.001 0.000 0.189 108 N C 1.534 177.057 175.510 0.022 0.000 1.040 108 N CA 1.145 54.208 53.050 0.022 0.000 0.845 108 N CB -0.578 37.901 38.487 -0.014 0.000 1.017 108 N HN 0.301 nan 8.380 nan 0.000 0.426 109 L N 0.837 122.040 121.223 -0.033 0.000 2.034 109 L HA 0.059 4.398 4.340 -0.001 0.000 0.203 109 L C 1.929 178.808 176.870 0.015 0.000 1.074 109 L CA 1.838 56.657 54.840 -0.035 0.000 0.748 109 L CB -1.310 40.694 42.059 -0.091 0.000 0.905 109 L HN 0.090 nan 8.230 nan 0.000 0.439 110 T N -0.279 114.281 114.554 0.009 0.000 2.788 110 T HA -0.101 4.249 4.350 -0.001 0.000 0.268 110 T C 1.677 176.440 174.700 0.105 0.000 1.044 110 T CA 1.190 63.332 62.100 0.070 0.000 1.139 110 T CB -0.846 68.045 68.868 0.040 0.000 0.867 110 T HN 0.594 nan 8.240 nan 0.000 0.454 111 G N 1.004 109.847 108.800 0.071 0.000 2.440 111 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.218 111 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.218 111 G C 1.864 176.751 174.900 -0.023 0.000 1.154 111 G CA 1.124 46.265 45.100 0.068 0.000 0.767 111 G HN 0.503 nan 8.290 nan 0.000 0.552 112 S N 0.079 115.797 115.700 0.031 0.000 2.423 112 S HA -0.059 4.410 4.470 -0.001 0.000 0.231 112 S C 1.819 176.346 174.600 -0.121 0.000 1.014 112 S CA 0.930 59.053 58.200 -0.128 0.000 0.965 112 S CB -0.278 62.963 63.200 0.068 0.000 0.785 112 S HN 0.441 nan 8.310 nan 0.000 0.495 113 F N 2.312 122.171 119.950 -0.151 0.000 2.163 113 F HA 0.078 4.605 4.527 -0.001 0.000 0.297 113 F C 1.649 177.347 175.800 -0.170 0.000 1.094 113 F CA 0.975 58.892 58.000 -0.139 0.000 1.290 113 F CB -0.426 38.515 39.000 -0.098 0.000 1.017 113 F HN 0.075 nan 8.300 nan 0.000 0.483 114 L N -0.638 120.416 121.223 -0.281 0.000 2.056 114 L HA -0.191 4.149 4.340 -0.001 0.000 0.207 114 L C 2.373 178.970 176.870 -0.456 0.000 1.078 114 L CA 1.036 55.637 54.840 -0.399 0.000 0.749 114 L CB -0.942 41.015 42.059 -0.171 0.000 0.901 114 L HN 0.006 nan 8.230 nan 0.000 0.433 115 V N 0.059 119.735 119.914 -0.396 0.000 2.307 115 V HA -0.242 3.878 4.120 -0.001 0.000 0.245 115 V C 2.752 178.589 176.094 -0.428 0.000 1.045 115 V CA 1.782 63.841 62.300 -0.401 0.000 1.024 115 V CB -0.854 30.699 31.823 -0.450 0.000 0.651 115 V HN 0.457 nan 8.190 nan 0.000 0.449 116 A N -0.200 122.398 122.820 -0.370 0.000 1.902 116 A HA -0.253 4.067 4.320 -0.001 0.000 0.217 116 A C 2.353 179.731 177.584 -0.343 0.000 1.181 116 A CA 2.131 54.003 52.037 -0.275 0.000 0.623 116 A CB -0.494 18.396 19.000 -0.183 0.000 0.818 116 A HN 0.512 nan 8.150 nan 0.000 0.443 117 K N -0.255 119.850 120.400 -0.493 0.000 2.057 117 K HA -0.108 4.211 4.320 -0.001 0.000 0.207 117 K C 2.127 178.437 176.600 -0.483 0.000 1.049 117 K CA 1.286 57.259 56.287 -0.522 0.000 0.931 117 K CB -0.318 31.693 32.500 -0.815 0.000 0.714 117 K HN 0.364 nan 8.250 nan 0.000 0.440 118 A N 0.979 123.409 122.820 -0.650 0.000 1.898 118 A HA -0.039 4.281 4.320 -0.001 0.000 0.216 118 A C 2.309 179.456 177.584 -0.729 0.000 1.181 118 A CA 1.666 53.199 52.037 -0.840 0.000 0.620 118 A CB -0.679 17.421 19.000 -1.500 0.000 0.819 118 A HN 0.476 nan 8.150 nan 0.000 0.442 119 A N -0.751 121.705 122.820 -0.606 0.000 1.902 119 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 119 A C 2.491 180.016 177.584 -0.098 0.000 1.181 119 A CA 2.182 54.156 52.037 -0.105 0.000 0.623 119 A CB -0.994 18.018 19.000 0.021 0.000 0.818 119 A HN 0.555 nan 8.150 nan 0.000 0.443 120 S N -0.911 114.689 115.700 -0.166 0.000 2.368 120 S HA -0.196 4.273 4.470 -0.001 0.000 0.225 120 S C 2.094 176.605 174.600 -0.149 0.000 1.030 120 S CA 1.598 59.718 58.200 -0.133 0.000 0.999 120 S CB -0.381 62.732 63.200 -0.144 0.000 0.844 120 S HN 0.563 nan 8.310 nan 0.000 0.459 121 E N 1.225 121.313 120.200 -0.187 0.000 2.085 121 E HA -0.044 4.305 4.350 -0.001 0.000 0.194 121 E C 1.035 177.565 176.600 -0.117 0.000 0.994 121 E CA 0.899 57.198 56.400 -0.168 0.000 0.801 121 E CB -0.479 29.108 29.700 -0.189 0.000 0.743 121 E HN 0.588 nan 8.360 nan 0.000 0.453 125 E N 0.816 120.823 120.200 -0.321 0.000 3.370 125 E HA -0.326 4.023 4.350 -0.001 0.000 0.291 125 E C 0.025 176.576 176.600 -0.082 0.000 0.916 125 E CA 1.452 57.720 56.400 -0.221 0.000 0.981 125 E CB -0.307 29.143 29.700 -0.417 0.000 1.498 125 E HN 0.459 nan 8.360 nan 0.000 0.452 126 K N 0.276 120.642 120.400 -0.058 0.000 2.312 126 K HA 0.165 4.484 4.320 -0.001 0.000 0.206 126 K C 0.582 177.184 176.600 0.004 0.000 1.121 126 K CA 1.239 57.509 56.287 -0.029 0.000 0.923 126 K CB 0.413 32.890 32.500 -0.038 0.000 1.162 126 K HN 0.372 nan 8.250 nan 0.000 0.478 127 N N -0.153 118.556 118.700 0.014 0.000 2.961 127 N HA 0.268 5.007 4.740 -0.001 0.000 0.245 127 N C -3.109 172.428 175.510 0.045 0.000 1.404 127 N CA -1.261 51.807 53.050 0.030 0.000 0.880 127 N CB 1.700 40.197 38.487 0.016 0.000 1.461 127 N HN -0.232 nan 8.380 nan 0.000 0.510 128 P HA 0.449 nan 4.420 nan 0.000 0.274 128 P C -0.143 177.177 177.300 0.033 0.000 1.256 128 P CA 0.212 63.344 63.100 0.053 0.000 0.795 128 P CB 0.968 32.694 31.700 0.044 0.000 1.038 129 G N -1.183 107.634 108.800 0.029 0.000 2.495 129 G HA2 0.457 4.416 3.960 -0.001 0.000 0.294 129 G HA3 0.457 4.416 3.960 -0.001 0.000 0.294 129 G C -1.848 173.055 174.900 0.005 0.000 1.397 129 G CA -0.357 44.752 45.100 0.014 0.000 0.790 129 G HN 0.577 nan 8.290 nan 0.000 0.486 130 S N -0.689 115.010 115.700 -0.003 0.000 2.614 130 S HA 0.693 5.163 4.470 -0.001 0.000 0.288 130 S C -0.861 173.737 174.600 -0.004 0.000 1.137 130 S CA -0.640 57.551 58.200 -0.015 0.000 0.992 130 S CB 0.664 63.842 63.200 -0.038 0.000 1.026 130 S HN 0.546 nan 8.310 nan 0.000 0.486 131 I N 4.450 125.014 120.570 -0.010 0.000 2.378 131 I HA 0.470 4.639 4.170 -0.001 0.000 0.291 131 I C -0.829 175.275 176.117 -0.022 0.000 0.992 131 I CA -0.909 60.386 61.300 -0.009 0.000 1.154 131 I CB 1.982 39.971 38.000 -0.018 0.000 1.315 131 I HN 0.299 nan 8.210 nan 0.000 0.448 132 V N 7.594 127.494 119.914 -0.022 0.000 2.350 132 V HA 0.394 4.513 4.120 -0.001 0.000 0.285 132 V C 0.012 176.068 176.094 -0.064 0.000 1.014 132 V CA -0.468 61.807 62.300 -0.042 0.000 0.831 132 V CB 1.510 33.313 31.823 -0.034 0.000 1.000 132 V HN 0.490 nan 8.190 nan 0.000 0.433 133 L N 3.963 125.157 121.223 -0.049 0.000 2.307 133 L HA 0.543 4.882 4.340 -0.001 0.000 0.282 133 L C 0.403 177.240 176.870 -0.055 0.000 1.051 133 L CA -0.238 54.590 54.840 -0.021 0.000 0.804 133 L CB 1.835 43.887 42.059 -0.012 0.000 1.197 133 L HN 0.498 nan 8.230 nan 0.000 0.431 134 T N 2.374 116.895 114.554 -0.055 0.000 2.744 134 T HA 0.549 4.899 4.350 -0.001 0.000 0.291 134 T C 0.384 175.055 174.700 -0.048 0.000 0.957 134 T CA -0.274 61.802 62.100 -0.039 0.000 1.002 134 T CB 1.748 70.638 68.868 0.037 0.000 0.919 134 T HN 0.768 nan 8.240 nan 0.000 0.468 135 A N 2.954 125.723 122.820 -0.085 0.000 3.792 135 A HA 0.961 5.281 4.320 -0.001 0.000 0.176 135 A C 0.322 177.858 177.584 -0.080 0.000 1.354 135 A CA -0.458 51.496 52.037 -0.138 0.000 1.480 135 A CB 0.529 19.384 19.000 -0.241 0.000 1.585 135 A HN 0.840 nan 8.150 nan 0.000 0.640 136 S N -2.248 113.420 115.700 -0.053 0.000 2.608 136 S HA 0.280 4.749 4.470 -0.001 0.000 0.285 136 S C 0.524 175.231 174.600 0.177 0.000 1.108 136 S CA 0.184 58.419 58.200 0.059 0.000 0.858 136 S CB 0.986 64.224 63.200 0.062 0.000 1.077 136 S HN 0.996 nan 8.310 nan 0.000 0.450 137 R N 2.482 123.121 120.500 0.230 0.000 2.200 137 R HA -0.031 4.309 4.340 -0.001 0.000 0.234 137 R C 1.126 177.560 176.300 0.223 0.000 1.127 137 R CA 2.298 58.611 56.100 0.356 0.000 0.989 137 R CB -1.188 29.335 30.300 0.371 0.000 0.869 137 R HN 0.545 nan 8.270 nan 0.000 0.459 138 V N 1.987 122.017 119.914 0.193 0.000 3.241 138 V HA -0.202 3.918 4.120 -0.001 0.000 0.269 138 V C 1.893 178.044 176.094 0.095 0.000 1.151 138 V CA 1.441 63.832 62.300 0.151 0.000 1.158 138 V CB -1.206 30.778 31.823 0.269 0.000 0.764 138 V HN 0.507 nan 8.190 nan 0.000 0.508 139 Y N -0.367 119.932 120.300 -0.001 0.000 2.574 139 Y HA -0.000 4.550 4.550 -0.001 0.000 0.294 139 Y C 1.582 177.507 175.900 0.042 0.000 1.142 139 Y CA 1.061 59.145 58.100 -0.026 0.000 1.314 139 Y CB -0.497 37.927 38.460 -0.061 0.000 0.991 139 Y HN 0.255 nan 8.280 nan 0.000 0.555 140 L N 1.280 122.287 121.223 -0.360 0.000 2.629 140 L HA 0.379 4.718 4.340 -0.001 0.000 0.230 140 L C 0.760 177.571 176.870 -0.098 0.000 1.151 140 L CA 0.249 54.886 54.840 -0.338 0.000 0.924 140 L CB -0.649 41.201 42.059 -0.350 0.000 1.137 140 L HN 0.531 nan 8.230 nan 0.000 0.457 141 G N 1.075 109.864 108.800 -0.019 0.000 2.907 141 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.686 141 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.686 141 G C -1.120 173.805 174.900 0.042 0.000 1.115 141 G CA -0.728 44.390 45.100 0.030 0.000 0.760 141 G HN 0.307 nan 8.290 nan 0.000 0.620 142 N N 0.075 118.813 118.700 0.063 0.000 2.521 142 N HA 0.450 5.189 4.740 -0.001 0.000 0.269 142 N C 0.075 175.608 175.510 0.039 0.000 1.079 142 N CA -0.857 52.227 53.050 0.057 0.000 0.980 142 N CB 1.177 39.710 38.487 0.077 0.000 1.667 142 N HN 0.743 nan 8.380 nan 0.000 0.498 143 L N 2.339 123.579 121.223 0.030 0.000 2.593 143 L HA 0.119 4.458 4.340 -0.001 0.000 0.287 143 L C 1.589 178.348 176.870 -0.186 0.000 1.243 143 L CA 1.161 55.998 54.840 -0.004 0.000 0.890 143 L CB -0.131 41.964 42.059 0.059 0.000 1.134 143 L HN 1.010 nan 8.230 nan 0.000 0.502 144 G N 2.637 111.214 108.800 -0.372 0.000 2.168 144 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.257 144 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.257 144 G C 0.494 175.249 174.900 -0.242 0.000 0.997 144 G CA 0.418 45.167 45.100 -0.586 0.000 0.708 144 G HN 0.759 nan 8.290 nan 0.000 0.520 145 Q N -1.194 118.564 119.800 -0.069 0.000 2.144 145 Q HA 0.591 4.931 4.340 -0.001 0.000 0.305 145 Q C 1.946 178.030 176.000 0.139 0.000 0.876 145 Q CA 0.256 56.090 55.803 0.051 0.000 1.130 145 Q CB 0.791 29.596 28.738 0.111 0.000 1.267 145 Q HN 0.553 nan 8.270 nan 0.000 0.433 146 A N 1.894 124.808 122.820 0.158 0.000 1.917 146 A HA -0.292 4.028 4.320 -0.001 0.000 0.219 146 A C 1.913 179.720 177.584 0.372 0.000 1.182 146 A CA 2.351 54.545 52.037 0.260 0.000 0.633 146 A CB -0.413 18.753 19.000 0.275 0.000 0.819 146 A HN 0.590 nan 8.150 nan 0.000 0.448 147 N N -1.473 117.427 118.700 0.333 0.000 2.142 147 N HA -0.196 4.543 4.740 -0.001 0.000 0.186 147 N C 1.638 177.114 175.510 -0.057 0.000 1.023 147 N CA 1.925 54.989 53.050 0.023 0.000 0.852 147 N CB -0.921 37.598 38.487 0.053 0.000 0.998 147 N HN 0.505 nan 8.380 nan 0.000 0.424 148 Y N 1.080 121.345 120.300 -0.058 0.000 2.200 148 Y HA 0.140 4.690 4.550 -0.001 0.000 0.290 148 Y C 2.618 178.510 175.900 -0.012 0.000 1.137 148 Y CA 1.364 59.433 58.100 -0.052 0.000 1.163 148 Y CB -0.697 37.748 38.460 -0.025 0.000 0.988 148 Y HN 0.190 nan 8.280 nan 0.000 0.518 149 A N 0.110 122.955 122.820 0.041 0.000 1.898 149 A HA -0.064 4.256 4.320 -0.001 0.000 0.216 149 A C 2.427 180.013 177.584 0.003 0.000 1.181 149 A CA 1.810 53.853 52.037 0.010 0.000 0.620 149 A CB -1.394 17.661 19.000 0.092 0.000 0.819 149 A HN 0.524 nan 8.150 nan 0.000 0.442 150 A N 0.294 123.128 122.820 0.023 0.000 1.898 150 A HA 0.098 4.417 4.320 -0.001 0.000 0.216 150 A C 1.914 179.441 177.584 -0.096 0.000 1.181 150 A CA 1.435 53.484 52.037 0.021 0.000 0.620 150 A CB -1.088 17.983 19.000 0.118 0.000 0.819 150 A HN 0.901 nan 8.150 nan 0.000 0.442 154 G N 0.327 109.077 108.800 -0.084 0.000 2.408 154 G HA2 0.055 4.014 3.960 -0.001 0.000 0.217 154 G HA3 0.055 4.014 3.960 -0.001 0.000 0.217 154 G C 1.414 176.252 174.900 -0.104 0.000 1.150 154 G CA 1.721 46.772 45.100 -0.081 0.000 0.776 154 G HN 0.537 nan 8.290 nan 0.000 0.542 155 V N 0.609 120.445 119.914 -0.129 0.000 2.407 155 V HA -0.164 3.956 4.120 -0.001 0.000 0.248 155 V C 3.015 179.013 176.094 -0.160 0.000 1.055 155 V CA 1.407 63.635 62.300 -0.120 0.000 1.049 155 V CB -0.267 31.485 31.823 -0.119 0.000 0.662 155 V HN 0.249 nan 8.190 nan 0.000 0.455 156 V N 0.927 120.685 119.914 -0.260 0.000 2.343 156 V HA -0.172 3.948 4.120 -0.001 0.000 0.247 156 V C 2.614 178.603 176.094 -0.175 0.000 1.051 156 V CA 2.177 64.293 62.300 -0.307 0.000 1.036 156 V CB -1.327 30.142 31.823 -0.591 0.000 0.654 156 V HN 0.610 nan 8.190 nan 0.000 0.451 157 G N -0.299 108.422 108.800 -0.132 0.000 2.422 157 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.218 157 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.218 157 G C 1.573 176.438 174.900 -0.058 0.000 1.140 157 G CA 1.024 46.080 45.100 -0.073 0.000 0.775 157 G HN 0.461 nan 8.290 nan 0.000 0.545 158 L N 0.833 122.019 121.223 -0.061 0.000 2.027 158 L HA 0.042 4.382 4.340 -0.001 0.000 0.206 158 L C 2.845 179.700 176.870 -0.026 0.000 1.074 158 L CA 2.553 57.376 54.840 -0.029 0.000 0.745 158 L CB -1.005 41.048 42.059 -0.010 0.000 0.898 158 L HN 0.139 nan 8.230 nan 0.000 0.433 159 T N -0.062 114.461 114.554 -0.053 0.000 2.635 159 T HA -0.233 4.116 4.350 -0.001 0.000 0.267 159 T C 1.989 176.662 174.700 -0.044 0.000 1.040 159 T CA 2.038 64.106 62.100 -0.054 0.000 1.156 159 T CB -0.273 68.544 68.868 -0.084 0.000 0.863 159 T HN 0.365 nan 8.240 nan 0.000 0.430 160 R N 0.389 120.859 120.500 -0.051 0.000 2.091 160 R HA -0.079 4.260 4.340 -0.001 0.000 0.238 160 R C 2.805 179.092 176.300 -0.023 0.000 1.136 160 R CA 1.731 57.808 56.100 -0.037 0.000 0.959 160 R CB -0.740 29.539 30.300 -0.036 0.000 0.856 160 R HN 0.325 nan 8.270 nan 0.000 0.437 161 T N 1.354 115.898 114.554 -0.016 0.000 2.746 161 T HA -0.090 4.259 4.350 -0.001 0.000 0.267 161 T C 1.679 176.384 174.700 0.009 0.000 1.039 161 T CA 0.909 63.007 62.100 -0.003 0.000 1.142 161 T CB -0.121 68.747 68.868 0.001 0.000 0.866 161 T HN -0.016 nan 8.240 nan 0.000 0.444 162 L N 1.260 122.488 121.223 0.009 0.000 2.046 162 L HA 0.050 4.389 4.340 -0.001 0.000 0.208 162 L C 2.782 179.659 176.870 0.013 0.000 1.077 162 L CA 1.510 56.359 54.840 0.016 0.000 0.747 162 L CB -1.368 40.694 42.059 0.005 0.000 0.896 162 L HN 0.245 nan 8.230 nan 0.000 0.432 163 A N -1.053 121.763 122.820 -0.006 0.000 1.972 163 A HA -0.149 4.170 4.320 -0.001 0.000 0.219 163 A C 2.316 179.893 177.584 -0.012 0.000 1.169 163 A CA 1.439 53.467 52.037 -0.015 0.000 0.635 163 A CB -0.630 18.349 19.000 -0.036 0.000 0.810 163 A HN 0.404 nan 8.150 nan 0.000 0.446 164 L N -0.937 120.280 121.223 -0.009 0.000 2.109 164 L HA -0.144 4.196 4.340 -0.001 0.000 0.207 164 L C 2.402 179.277 176.870 0.008 0.000 1.086 164 L CA 1.436 56.270 54.840 -0.011 0.000 0.760 164 L CB -0.462 41.592 42.059 -0.009 0.000 0.910 164 L HN 0.451 nan 8.230 nan 0.000 0.437 165 E N -0.208 120.015 120.200 0.039 0.000 2.299 165 E HA -0.047 4.303 4.350 -0.001 0.000 0.193 165 E C 1.929 178.633 176.600 0.173 0.000 0.998 165 E CA 0.567 57.020 56.400 0.088 0.000 0.851 165 E CB 0.241 29.996 29.700 0.092 0.000 0.795 165 E HN 0.482 nan 8.360 nan 0.000 0.492 166 L N -0.334 120.976 121.223 0.144 0.000 2.664 166 L HA 0.212 4.552 4.340 -0.001 0.000 0.233 166 L C 2.212 179.162 176.870 0.134 0.000 1.113 166 L CA -0.006 54.978 54.840 0.239 0.000 0.896 166 L CB 0.126 42.272 42.059 0.145 0.000 1.163 166 L HN 0.150 nan 8.230 nan 0.000 0.497 167 G N 1.939 110.750 108.800 0.018 0.000 2.491 167 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.218 167 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.218 167 G C 1.612 176.451 174.900 -0.101 0.000 1.180 167 G CA 1.140 46.215 45.100 -0.042 0.000 0.774 167 G HN 0.506 nan 8.290 nan 0.000 0.562 168 R N -0.720 119.631 120.500 -0.249 0.000 2.193 168 R HA -0.062 4.278 4.340 -0.001 0.000 0.229 168 R C 1.693 177.704 176.300 -0.483 0.000 1.110 168 R CA 1.273 57.116 56.100 -0.428 0.000 0.988 168 R CB -0.541 29.367 30.300 -0.652 0.000 0.871 168 R HN 0.550 nan 8.270 nan 0.000 0.458 169 W N 0.662 121.956 121.300 -0.009 0.000 3.388 169 W HA 0.371 5.030 4.660 -0.002 0.000 0.324 169 W C 0.956 177.470 176.519 -0.009 0.000 1.250 169 W CA 0.047 57.386 57.345 -0.010 0.000 1.809 169 W CB 0.557 30.008 29.460 -0.015 0.000 1.083 169 W HN 0.377 nan 8.180 nan 0.000 0.685 170 G N 1.163 110.033 108.800 0.116 0.000 2.155 170 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.257 170 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.257 170 G C -0.028 174.919 174.900 0.080 0.000 0.983 170 G CA -0.074 45.076 45.100 0.084 0.000 0.676 170 G HN 0.283 nan 8.290 nan 0.000 0.528 171 I N 1.038 121.670 120.570 0.102 0.000 2.312 171 I HA 0.396 4.566 4.170 -0.001 0.000 0.290 171 I C 0.843 176.980 176.117 0.033 0.000 1.008 171 I CA -0.762 60.578 61.300 0.067 0.000 1.226 171 I CB 1.013 39.062 38.000 0.083 0.000 1.371 171 I HN 0.020 nan 8.210 nan 0.000 0.468 172 R N 4.960 125.462 120.500 0.003 0.000 2.457 172 R HA 0.721 5.061 4.340 -0.001 0.000 0.284 172 R C -1.095 175.190 176.300 -0.026 0.000 1.024 172 R CA -0.760 55.326 56.100 -0.024 0.000 1.025 172 R CB 1.932 32.204 30.300 -0.046 0.000 1.063 172 R HN 0.322 nan 8.270 nan 0.000 0.493 173 V N 2.965 122.858 119.914 -0.035 0.000 2.525 173 V HA 0.395 4.514 4.120 -0.001 0.000 0.299 173 V C -0.585 175.481 176.094 -0.047 0.000 1.034 173 V CA -0.938 61.340 62.300 -0.036 0.000 0.863 173 V CB 1.716 33.521 31.823 -0.029 0.000 0.999 173 V HN 0.791 nan 8.190 nan 0.000 0.423 174 N N 1.395 120.066 118.700 -0.049 0.000 2.357 174 N HA 0.565 5.305 4.740 -0.001 0.000 0.284 174 N C -1.059 174.416 175.510 -0.057 0.000 1.236 174 N CA -0.510 52.509 53.050 -0.051 0.000 0.774 174 N CB 2.596 41.056 38.487 -0.045 0.000 1.534 174 N HN 0.639 nan 8.380 nan 0.000 0.478 175 T N 0.520 115.030 114.554 -0.073 0.000 2.861 175 T HA 0.575 4.925 4.350 -0.001 0.000 0.287 175 T C -0.780 173.861 174.700 -0.098 0.000 1.003 175 T CA -0.547 61.493 62.100 -0.100 0.000 0.977 175 T CB 0.499 69.272 68.868 -0.159 0.000 0.996 175 T HN 0.235 nan 8.240 nan 0.000 0.448 176 L N 3.810 124.991 121.223 -0.070 0.000 2.312 176 L HA 0.710 5.050 4.340 -0.001 0.000 0.281 176 L C 0.411 177.223 176.870 -0.096 0.000 1.070 176 L CA -0.851 53.967 54.840 -0.037 0.000 0.805 176 L CB 1.424 43.512 42.059 0.049 0.000 1.174 176 L HN 0.838 nan 8.230 nan 0.000 0.434 177 A N 5.236 127.965 122.820 -0.152 0.000 2.938 177 A HA 0.527 4.846 4.320 -0.001 0.000 0.344 177 A C -2.481 175.100 177.584 -0.005 0.000 1.142 177 A CA -1.344 50.576 52.037 -0.196 0.000 0.841 177 A CB -0.148 18.440 19.000 -0.686 0.000 1.083 177 A HN 0.338 nan 8.150 nan 0.000 0.479 178 P HA 0.301 nan 4.420 nan 0.000 0.274 178 P C 0.596 177.996 177.300 0.166 0.000 1.237 178 P CA 0.350 63.523 63.100 0.120 0.000 0.793 178 P CB 1.665 33.420 31.700 0.092 0.000 0.977 179 G N 0.968 109.879 108.800 0.184 0.000 3.434 179 G HA2 0.182 4.141 3.960 -0.001 0.000 0.192 179 G HA3 0.182 4.141 3.960 -0.001 0.000 0.192 179 G C -0.972 174.068 174.900 0.234 0.000 1.704 179 G CA -0.224 45.008 45.100 0.221 0.000 0.936 179 G HN 0.433 nan 8.290 nan 0.000 0.623 180 F N 2.204 122.195 119.950 0.068 0.000 2.423 180 F HA 0.459 4.985 4.527 -0.001 0.000 0.356 180 F C -0.339 175.480 175.800 0.033 0.000 1.170 180 F CA -1.692 56.334 58.000 0.043 0.000 1.163 180 F CB 0.151 39.171 39.000 0.034 0.000 1.318 180 F HN -0.136 nan 8.300 nan 0.000 0.569 181 I N 4.454 124.840 120.570 -0.307 0.000 2.392 181 I HA 0.138 4.308 4.170 -0.001 0.000 0.295 181 I C 0.402 176.231 176.117 -0.479 0.000 0.985 181 I CA -0.857 60.273 61.300 -0.284 0.000 1.221 181 I CB 1.301 39.206 38.000 -0.158 0.000 1.366 181 I HN 0.396 nan 8.210 nan 0.000 0.467 182 E N 4.650 124.637 120.200 -0.355 0.000 2.053 182 E HA 0.051 4.400 4.350 -0.001 0.000 0.297 182 E C 0.444 176.915 176.600 -0.216 0.000 1.173 182 E CA -0.084 56.128 56.400 -0.313 0.000 1.219 182 E CB -0.259 29.339 29.700 -0.169 0.000 1.103 182 E HN 0.746 nan 8.360 nan 0.000 0.476 183 T N -0.391 114.022 114.554 -0.234 0.000 2.914 183 T HA 0.432 4.782 4.350 -0.001 0.000 0.313 183 T C 0.629 175.258 174.700 -0.119 0.000 1.137 183 T CA -0.796 61.210 62.100 -0.156 0.000 0.946 183 T CB 0.757 69.537 68.868 -0.146 0.000 1.558 183 T HN 0.166 nan 8.240 nan 0.000 0.565 187 A N 2.026 124.837 122.820 -0.015 0.000 1.972 187 A HA 0.112 4.431 4.320 -0.001 0.000 0.219 187 A C 1.883 179.480 177.584 0.021 0.000 1.169 187 A CA 1.691 53.731 52.037 0.005 0.000 0.635 187 A CB -0.671 18.315 19.000 -0.022 0.000 0.810 187 A HN 0.478 nan 8.150 nan 0.000 0.446 188 K N 1.097 121.505 120.400 0.012 0.000 2.773 188 K HA 0.192 4.512 4.320 -0.001 0.000 0.222 188 K C 0.573 177.187 176.600 0.024 0.000 0.985 188 K CA 0.524 56.817 56.287 0.012 0.000 1.126 188 K CB -1.445 31.055 32.500 0.000 0.000 0.919 188 K HN 0.722 nan 8.250 nan 0.000 0.487 189 V N -2.721 117.219 119.914 0.044 0.000 2.083 189 V HA -0.269 3.850 4.120 -0.001 0.000 0.189 189 V C -2.426 173.691 176.094 0.039 0.000 2.191 189 V CA -0.162 62.167 62.300 0.049 0.000 2.383 189 V CB -1.959 29.883 31.823 0.031 0.000 1.198 189 V HN 0.456 nan 8.190 nan 0.000 0.366 190 P HA 0.148 nan 4.420 nan 0.000 0.266 190 P C 0.406 177.717 177.300 0.019 0.000 1.195 190 P CA 0.633 63.744 63.100 0.019 0.000 0.768 190 P CB 0.580 32.287 31.700 0.012 0.000 0.838 191 E N 1.353 121.564 120.200 0.018 0.000 2.533 191 E HA -0.155 4.194 4.350 -0.001 0.000 0.201 191 E C 0.779 177.377 176.600 -0.003 0.000 1.097 191 E CA 0.605 57.014 56.400 0.015 0.000 0.887 191 E CB 0.117 29.827 29.700 0.016 0.000 0.855 191 E HN 0.233 nan 8.360 nan 0.000 0.540 192 K N -0.761 119.635 120.400 -0.006 0.000 2.054 192 K HA 0.005 4.324 4.320 -0.001 0.000 0.207 192 K C 1.830 178.407 176.600 -0.039 0.000 1.031 192 K CA 0.868 57.147 56.287 -0.014 0.000 0.952 192 K CB -0.571 31.929 32.500 -0.001 0.000 0.775 192 K HN -0.067 nan 8.250 nan 0.000 0.447 193 V N 1.549 121.438 119.914 -0.042 0.000 2.469 193 V HA -0.237 3.883 4.120 -0.001 0.000 0.251 193 V C 2.427 178.414 176.094 -0.179 0.000 1.064 193 V CA 1.942 64.193 62.300 -0.081 0.000 1.066 193 V CB -0.463 31.327 31.823 -0.056 0.000 0.667 193 V HN 0.286 nan 8.190 nan 0.000 0.461 194 R N -0.202 120.203 120.500 -0.159 0.000 2.073 194 R HA -0.131 4.208 4.340 -0.001 0.000 0.229 194 R C 2.356 178.513 176.300 -0.239 0.000 1.120 194 R CA 1.261 57.194 56.100 -0.278 0.000 0.967 194 R CB -0.128 30.162 30.300 -0.016 0.000 0.862 194 R HN 0.421 nan 8.270 nan 0.000 0.436 195 E N 0.621 120.751 120.200 -0.116 0.000 2.150 195 E HA -0.191 4.159 4.350 -0.001 0.000 0.193 195 E C 1.720 178.262 176.600 -0.097 0.000 0.985 195 E CA 1.036 57.388 56.400 -0.080 0.000 0.814 195 E CB 0.091 29.767 29.700 -0.040 0.000 0.752 195 E HN 0.113 nan 8.360 nan 0.000 0.466 196 K N 0.829 121.160 120.400 -0.114 0.000 2.155 196 K HA 0.010 4.329 4.320 -0.001 0.000 0.203 196 K C 1.824 178.340 176.600 -0.139 0.000 1.052 196 K CA 1.137 57.365 56.287 -0.099 0.000 0.948 196 K CB -0.244 32.209 32.500 -0.079 0.000 0.728 196 K HN 0.040 nan 8.250 nan 0.000 0.448 197 A N 0.896 123.564 122.820 -0.253 0.000 1.845 197 A HA -0.109 4.210 4.320 -0.001 0.000 0.215 197 A C 2.228 179.687 177.584 -0.207 0.000 1.195 197 A CA 1.748 53.584 52.037 -0.334 0.000 0.616 197 A CB -0.752 17.754 19.000 -0.823 0.000 0.832 197 A HN 0.319 nan 8.150 nan 0.000 0.443 198 I N -0.145 120.313 120.570 -0.186 0.000 2.264 198 I HA -0.300 3.869 4.170 -0.001 0.000 0.248 198 I C 2.922 179.016 176.117 -0.038 0.000 1.111 198 I CA 1.043 62.307 61.300 -0.059 0.000 1.382 198 I CB -0.329 37.659 38.000 -0.020 0.000 1.060 198 I HN 0.382 nan 8.210 nan 0.000 0.418 199 A N 0.569 123.358 122.820 -0.051 0.000 2.024 199 A HA -0.093 4.226 4.320 -0.001 0.000 0.220 199 A C 2.249 179.817 177.584 -0.027 0.000 1.164 199 A CA 1.768 53.786 52.037 -0.032 0.000 0.643 199 A CB -0.541 18.439 19.000 -0.034 0.000 0.806 199 A HN 0.449 nan 8.150 nan 0.000 0.451 200 A N -1.054 121.743 122.820 -0.038 0.000 2.307 200 A HA 0.380 4.699 4.320 -0.001 0.000 0.218 200 A C 0.621 178.197 177.584 -0.013 0.000 1.228 200 A CA 0.465 52.486 52.037 -0.026 0.000 0.857 200 A CB -0.266 18.714 19.000 -0.033 0.000 0.897 200 A HN 0.220 nan 8.150 nan 0.000 0.495 201 T N 1.480 116.031 114.554 -0.005 0.000 2.821 201 T HA 0.348 4.697 4.350 -0.001 0.000 0.307 201 T C -2.015 172.694 174.700 0.016 0.000 1.034 201 T CA -1.051 61.058 62.100 0.017 0.000 0.953 201 T CB 1.560 70.453 68.868 0.041 0.000 0.968 201 T HN -0.005 nan 8.240 nan 0.000 0.462 202 P HA -0.107 nan 4.420 nan 0.000 0.218 202 P C 1.207 178.517 177.300 0.016 0.000 1.152 202 P CA 1.098 64.204 63.100 0.009 0.000 0.857 202 P CB 0.108 31.811 31.700 0.005 0.000 0.787 203 L N -2.731 118.508 121.223 0.026 0.000 2.610 203 L HA 0.148 4.487 4.340 -0.001 0.000 0.232 203 L C 1.207 178.097 176.870 0.032 0.000 1.149 203 L CA 0.474 55.332 54.840 0.030 0.000 0.872 203 L CB -1.171 40.911 42.059 0.039 0.000 0.992 203 L HN 0.108 nan 8.230 nan 0.000 0.447 204 G N 2.142 110.960 108.800 0.031 0.000 2.366 204 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.299 204 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.299 204 G C 0.171 175.097 174.900 0.043 0.000 1.020 204 G CA 0.836 45.953 45.100 0.030 0.000 1.026 204 G HN 0.651 nan 8.290 nan 0.000 0.512 205 R N -2.206 118.333 120.500 0.065 0.000 2.765 205 R HA 0.726 5.066 4.340 -0.001 0.000 0.277 205 R C -0.106 176.278 176.300 0.140 0.000 1.028 205 R CA -0.493 55.659 56.100 0.087 0.000 0.860 205 R CB 0.087 30.427 30.300 0.066 0.000 1.270 205 R HN 1.268 nan 8.270 nan 0.000 0.484 206 A N 0.867 123.794 122.820 0.179 0.000 2.332 206 A HA 0.684 5.004 4.320 -0.001 0.000 0.258 206 A C 0.441 178.085 177.584 0.100 0.000 1.087 206 A CA 0.117 52.296 52.037 0.237 0.000 0.802 206 A CB 0.458 19.582 19.000 0.206 0.000 1.042 206 A HN 0.858 nan 8.150 nan 0.000 0.489 207 G N -0.235 108.600 108.800 0.059 0.000 2.522 207 G HA2 0.544 4.503 3.960 -0.001 0.000 0.304 207 G HA3 0.544 4.503 3.960 -0.001 0.000 0.304 207 G C -0.438 174.449 174.900 -0.023 0.000 1.210 207 G CA -0.652 44.466 45.100 0.031 0.000 0.960 207 G HN 0.731 nan 8.290 nan 0.000 0.497 208 K N 0.659 121.055 120.400 -0.006 0.000 2.267 208 K HA 0.368 4.687 4.320 -0.001 0.000 0.246 208 K C -1.554 175.023 176.600 -0.037 0.000 0.954 208 K CA -1.804 54.466 56.287 -0.028 0.000 0.824 208 K CB 2.924 35.424 32.500 -0.000 0.000 1.167 208 K HN 0.156 nan 8.250 nan 0.000 0.431 209 P HA -0.216 nan 4.420 nan 0.000 0.215 209 P C 1.267 178.518 177.300 -0.082 0.000 1.153 209 P CA 1.267 64.304 63.100 -0.105 0.000 0.853 209 P CB 0.255 31.873 31.700 -0.136 0.000 0.788 210 L N 0.127 121.319 121.223 -0.052 0.000 2.042 210 L HA -0.192 4.147 4.340 -0.001 0.000 0.210 210 L C 2.504 179.404 176.870 0.049 0.000 1.076 210 L CA 1.877 56.689 54.840 -0.048 0.000 0.749 210 L CB -0.613 41.449 42.059 0.005 0.000 0.893 210 L HN -0.004 nan 8.230 nan 0.000 0.432 211 E N -1.035 119.232 120.200 0.112 0.000 2.160 211 E HA -0.219 4.130 4.350 -0.001 0.000 0.195 211 E C 2.092 178.789 176.600 0.162 0.000 0.991 211 E CA 1.334 57.842 56.400 0.180 0.000 0.810 211 E CB -0.003 29.769 29.700 0.120 0.000 0.742 211 E HN 0.389 nan 8.360 nan 0.000 0.466 212 V N 0.955 120.921 119.914 0.088 0.000 2.591 212 V HA -0.152 3.967 4.120 -0.001 0.000 0.249 212 V C 2.227 178.399 176.094 0.129 0.000 1.053 212 V CA 1.428 63.789 62.300 0.101 0.000 1.068 212 V CB -0.365 31.480 31.823 0.038 0.000 0.689 212 V HN 0.285 nan 8.190 nan 0.000 0.462 213 A N -0.890 121.957 122.820 0.044 0.000 1.902 213 A HA -0.240 4.079 4.320 -0.001 0.000 0.217 213 A C 2.078 179.732 177.584 0.117 0.000 1.181 213 A CA 1.810 53.848 52.037 0.003 0.000 0.623 213 A CB -0.791 18.105 19.000 -0.172 0.000 0.818 213 A HN 0.582 nan 8.150 nan 0.000 0.443 214 Y N -0.340 120.061 120.300 0.169 0.000 2.293 214 Y HA -0.110 4.440 4.550 -0.001 0.000 0.291 214 Y C 2.828 178.861 175.900 0.221 0.000 1.137 214 Y CA 0.711 58.923 58.100 0.188 0.000 1.202 214 Y CB -0.085 38.445 38.460 0.116 0.000 0.990 214 Y HN 0.379 nan 8.280 nan 0.000 0.537 215 A N -0.231 122.800 122.820 0.352 0.000 1.929 215 A HA -0.076 4.244 4.320 -0.001 0.000 0.216 215 A C 2.317 180.103 177.584 0.336 0.000 1.176 215 A CA 1.430 53.659 52.037 0.320 0.000 0.628 215 A CB -0.927 18.216 19.000 0.239 0.000 0.816 215 A HN 0.388 nan 8.150 nan 0.000 0.444 216 A N -0.539 122.471 122.820 0.316 0.000 1.968 216 A HA 0.097 4.416 4.320 -0.001 0.000 0.217 216 A C 2.121 179.954 177.584 0.415 0.000 1.169 216 A CA 1.150 53.379 52.037 0.320 0.000 0.638 216 A CB -0.454 18.729 19.000 0.305 0.000 0.812 216 A HN 0.497 nan 8.150 nan 0.000 0.446 217 L N -1.527 119.981 121.223 0.475 0.000 2.027 217 L HA -0.129 4.211 4.340 -0.001 0.000 0.206 217 L C 2.416 179.406 176.870 0.201 0.000 1.074 217 L CA 1.987 57.003 54.840 0.293 0.000 0.745 217 L CB -0.403 41.862 42.059 0.342 0.000 0.898 217 L HN 0.484 nan 8.230 nan 0.000 0.433 218 F N 0.802 120.840 119.950 0.146 0.000 2.069 218 F HA -0.263 4.264 4.527 -0.000 0.000 0.298 218 F C 2.154 177.996 175.800 0.069 0.000 1.113 218 F CA 1.757 59.816 58.000 0.099 0.000 1.214 218 F CB -0.515 38.552 39.000 0.111 0.000 0.978 218 F HN -0.036 nan 8.300 nan 0.000 0.474 219 L N -0.324 120.838 121.223 -0.103 0.000 2.201 219 L HA -0.166 4.173 4.340 -0.001 0.000 0.212 219 L C 2.412 179.191 176.870 -0.153 0.000 1.105 219 L CA 1.013 55.718 54.840 -0.225 0.000 0.775 219 L CB -0.542 41.497 42.059 -0.033 0.000 0.913 219 L HN 0.304 nan 8.230 nan 0.000 0.440 220 L N -0.866 120.317 121.223 -0.067 0.000 2.416 220 L HA 0.072 4.411 4.340 -0.001 0.000 0.216 220 L C 1.647 178.445 176.870 -0.120 0.000 1.098 220 L CA 0.006 54.803 54.840 -0.072 0.000 0.840 220 L CB 0.272 42.313 42.059 -0.030 0.000 0.981 220 L HN 0.261 nan 8.230 nan 0.000 0.462 221 S N -1.635 113.985 115.700 -0.133 0.000 2.632 221 S HA 0.060 4.529 4.470 -0.001 0.000 0.267 221 S C 0.698 175.239 174.600 -0.098 0.000 1.276 221 S CA -0.466 57.670 58.200 -0.107 0.000 0.998 221 S CB 0.816 63.984 63.200 -0.053 0.000 0.953 221 S HN 0.157 nan 8.310 nan 0.000 0.547 222 D N 0.755 121.121 120.400 -0.056 0.000 2.309 222 D HA -0.048 4.591 4.640 -0.001 0.000 0.212 222 D C 1.551 177.837 176.300 -0.023 0.000 0.968 222 D CA 0.907 54.886 54.000 -0.035 0.000 0.882 222 D CB -0.243 40.548 40.800 -0.014 0.000 0.918 222 D HN 0.761 nan 8.370 nan 0.000 0.503 223 E N 0.152 120.347 120.200 -0.009 0.000 2.265 223 E HA -0.098 4.252 4.350 -0.001 0.000 0.196 223 E C 1.200 177.800 176.600 -0.001 0.000 0.996 223 E CA 0.949 57.388 56.400 0.066 0.000 0.832 223 E CB 0.010 29.832 29.700 0.204 0.000 0.756 223 E HN 0.193 nan 8.360 nan 0.000 0.491 224 S N -0.085 115.459 115.700 -0.260 0.000 2.561 224 S HA 0.103 4.572 4.470 -0.001 0.000 0.245 224 S C 1.463 175.974 174.600 -0.149 0.000 1.001 224 S CA -0.020 57.939 58.200 -0.401 0.000 1.002 224 S CB 0.354 62.980 63.200 -0.958 0.000 0.805 224 S HN 0.151 nan 8.310 nan 0.000 0.458 225 S N 0.747 116.426 115.700 -0.036 0.000 2.420 225 S HA -0.083 4.387 4.470 -0.001 0.000 0.237 225 S C 0.774 175.453 174.600 0.132 0.000 1.023 225 S CA 0.619 58.837 58.200 0.031 0.000 0.991 225 S CB -0.699 62.530 63.200 0.048 0.000 0.792 225 S HN 0.584 nan 8.310 nan 0.000 0.488 226 F N 1.687 121.614 119.950 -0.039 0.000 2.684 226 F HA 0.552 5.078 4.527 -0.001 0.000 0.298 226 F C -0.292 175.497 175.800 -0.017 0.000 1.120 226 F CA -1.838 56.151 58.000 -0.019 0.000 1.332 226 F CB 0.163 39.162 39.000 -0.000 0.000 0.986 226 F HN 0.048 nan 8.300 nan 0.000 0.524 227 I N 0.575 121.105 120.570 -0.068 0.000 2.410 227 I HA 0.351 4.521 4.170 -0.001 0.000 0.286 227 I C -0.113 175.929 176.117 -0.124 0.000 1.009 227 I CA -0.388 60.846 61.300 -0.111 0.000 1.111 227 I CB 1.854 39.814 38.000 -0.066 0.000 1.262 227 I HN -0.127 nan 8.210 nan 0.000 0.443 228 T N 3.231 117.704 114.554 -0.134 0.000 2.889 228 T HA 0.560 4.910 4.350 -0.001 0.000 0.315 228 T C 0.326 174.976 174.700 -0.083 0.000 1.291 228 T CA 0.330 62.369 62.100 -0.102 0.000 1.028 228 T CB 1.594 70.400 68.868 -0.103 0.000 1.235 228 T HN 0.992 nan 8.240 nan 0.000 0.491 229 G N 2.673 111.436 108.800 -0.062 0.000 2.176 229 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.252 229 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.252 229 G C -0.148 174.728 174.900 -0.040 0.000 1.024 229 G CA 0.215 45.284 45.100 -0.052 0.000 0.755 229 G HN 0.701 nan 8.290 nan 0.000 0.507 230 Q N -0.884 118.896 119.800 -0.033 0.000 2.248 230 Q HA 0.688 5.027 4.340 -0.001 0.000 0.263 230 Q C 0.049 176.037 176.000 -0.020 0.000 1.007 230 Q CA -0.797 55.003 55.803 -0.004 0.000 0.877 230 Q CB 2.295 31.047 28.738 0.024 0.000 1.315 230 Q HN 0.304 nan 8.270 nan 0.000 0.454 231 V N 2.540 122.455 119.914 0.003 0.000 2.357 231 V HA 0.274 4.394 4.120 -0.001 0.000 0.284 231 V C -0.646 175.442 176.094 -0.011 0.000 1.018 231 V CA -0.748 61.507 62.300 -0.075 0.000 0.841 231 V CB 1.357 33.136 31.823 -0.074 0.000 0.991 231 V HN 0.511 nan 8.190 nan 0.000 0.437 232 L N 6.535 127.731 121.223 -0.045 0.000 2.277 232 L HA 0.606 4.946 4.340 -0.001 0.000 0.284 232 L C -0.669 176.219 176.870 0.031 0.000 1.028 232 L CA 0.014 54.900 54.840 0.077 0.000 0.835 232 L CB 0.489 42.625 42.059 0.129 0.000 1.215 232 L HN 0.427 nan 8.230 nan 0.000 0.425 233 F N 4.697 124.716 119.950 0.115 0.000 2.467 233 F HA 0.325 4.851 4.527 -0.001 0.000 0.362 233 F C 0.611 176.471 175.800 0.101 0.000 1.090 233 F CA -0.124 57.944 58.000 0.113 0.000 1.202 233 F CB 0.927 39.989 39.000 0.103 0.000 1.113 233 F HN 0.116 nan 8.300 nan 0.000 0.541 234 V N 3.376 123.436 119.914 0.244 0.000 2.271 234 V HA 0.195 4.314 4.120 -0.001 0.000 0.259 234 V C -0.511 175.693 176.094 0.184 0.000 1.030 234 V CA -0.507 61.902 62.300 0.182 0.000 0.957 234 V CB 0.316 32.225 31.823 0.144 0.000 1.186 234 V HN 0.805 nan 8.190 nan 0.000 0.471 235 D N 0.821 121.343 120.400 0.204 0.000 2.594 235 D HA 0.191 4.830 4.640 -0.001 0.000 0.256 235 D C 1.330 177.713 176.300 0.138 0.000 1.393 235 D CA 0.257 54.370 54.000 0.188 0.000 0.797 235 D CB 0.457 41.402 40.800 0.241 0.000 1.110 235 D HN 0.526 nan 8.370 nan 0.000 0.495 236 G N 0.341 109.210 108.800 0.115 0.000 2.233 236 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.270 236 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.270 236 G C 1.247 176.182 174.900 0.057 0.000 1.011 236 G CA 0.692 45.841 45.100 0.082 0.000 0.762 236 G HN 1.488 nan 8.290 nan 0.000 0.511 237 G N -1.233 107.598 108.800 0.051 0.000 2.141 237 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.242 237 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.242 237 G C 1.105 176.000 174.900 -0.009 0.000 0.982 237 G CA 1.053 46.157 45.100 0.007 0.000 0.662 237 G HN 0.941 nan 8.290 nan 0.000 0.527 238 R N 0.308 120.820 120.500 0.020 0.000 2.293 238 R HA 0.006 4.346 4.340 -0.001 0.000 0.219 238 R C 1.824 178.107 176.300 -0.029 0.000 1.091 238 R CA 1.902 58.010 56.100 0.012 0.000 1.004 238 R CB -0.445 29.888 30.300 0.055 0.000 0.865 238 R HN 0.409 nan 8.270 nan 0.000 0.469 239 T N 0.011 114.513 114.554 -0.087 0.000 3.022 239 T HA 0.295 4.644 4.350 -0.001 0.000 0.250 239 T C 0.670 175.249 174.700 -0.201 0.000 1.060 239 T CA -0.327 61.660 62.100 -0.187 0.000 1.013 239 T CB 0.261 68.888 68.868 -0.403 0.000 0.982 239 T HN 0.053 nan 8.240 nan 0.000 0.508 240 I N 1.909 122.389 120.570 -0.150 0.000 2.662 240 I HA 0.249 4.419 4.170 -0.001 0.000 0.285 240 I C 1.521 177.586 176.117 -0.086 0.000 1.161 240 I CA 0.816 62.044 61.300 -0.119 0.000 1.415 240 I CB 0.363 38.318 38.000 -0.076 0.000 1.385 240 I HN 0.403 nan 8.210 nan 0.000 0.552 241 G N 4.361 113.111 108.800 -0.084 0.000 2.380 241 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.197 241 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.197 241 G C 0.183 175.046 174.900 -0.061 0.000 1.001 241 G CA -0.140 44.925 45.100 -0.059 0.000 0.668 241 G HN 0.903 nan 8.290 nan 0.000 0.483 242 A N 0.636 123.404 122.820 -0.088 0.000 2.301 242 A HA 0.890 5.209 4.320 -0.001 0.000 0.298 242 A C 0.740 178.274 177.584 -0.083 0.000 1.185 242 A CA 0.781 52.767 52.037 -0.084 0.000 0.830 242 A CB 0.865 19.802 19.000 -0.105 0.000 1.112 242 A HN 2.029 nan 8.150 nan 0.000 0.508 243 A N 4.897 127.684 122.820 -0.054 0.000 2.522 243 A HA 0.493 4.812 4.320 -0.001 0.000 0.256 243 A C -1.272 176.286 177.584 -0.042 0.000 1.086 243 A CA -0.726 51.289 52.037 -0.037 0.000 0.763 243 A CB -0.700 18.289 19.000 -0.018 0.000 1.024 243 A HN 0.748 nan 8.150 nan 0.000 0.502 244 P HA 0.479 nan 4.420 nan 0.000 0.274 244 P C -0.164 177.173 177.300 0.061 0.000 1.260 244 P CA 0.143 63.253 63.100 0.017 0.000 0.793 244 P CB 0.965 32.699 31.700 0.057 0.000 1.048 245 A N 0.000 122.913 122.820 0.155 0.000 2.254 245 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 245 A CA 0.000 52.159 52.037 0.204 0.000 0.836 245 A CB 0.000 19.146 19.000 0.243 0.000 0.831 245 A HN 0.000 nan 8.150 nan 0.000 0.486