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 2r2f_1_B DATA FIRST_RESID 2 DATA SEQUENCE KLSRISAINW NKIQDDKDLE VWNRLTSNFW LPEKVPLSND IPAWQTLSAA DATA SEQUENCE EQQLTIRVFT GLTLLDTIQN IAGAPSLMAD AITPHEEAVL SNISFMEAVH DATA SEQUENCE ARSYSSIFST LCQTKEVDAA YAWSEENPPL QRKAQIILAH YVSDEPLKKK DATA SEQUENCE IASVFLESFL FYSGFWLPMY FSSRGKLTNT ADLIRLIIRD EAVHGYYIGY DATA SEQUENCE KYQIALQKLS AIEREELKLF ALDLLMELYD NEIRYTEALY AETGWVNDVK DATA SEQUENCE AFLCYNANKA LMNLGYEALF PPEMADVNPA ILAAL 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 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.590 176.600 -0.016 0.000 0.988 2 K CA 0.000 56.278 56.287 -0.016 0.000 0.838 2 K CB 0.000 32.491 32.500 -0.015 0.000 1.064 3 L N -0.013 121.200 121.223 -0.016 0.000 7.382 3 L HA -0.304 4.036 4.340 -0.001 0.000 0.055 3 L C 0.957 177.815 176.870 -0.019 0.000 1.434 3 L CA 1.987 56.818 54.840 -0.016 0.000 1.563 3 L CB -1.660 40.391 42.059 -0.014 0.000 2.813 3 L HN 0.665 nan 8.230 nan 0.000 1.135 4 S N -0.186 115.503 115.700 -0.018 0.000 2.603 4 S HA 0.064 4.533 4.470 -0.001 0.000 0.229 4 S C 1.256 175.842 174.600 -0.023 0.000 0.972 4 S CA 0.781 58.969 58.200 -0.021 0.000 0.935 4 S CB -0.321 62.867 63.200 -0.019 0.000 0.769 4 S HN 0.338 nan 8.310 nan 0.000 0.536 5 R N 0.867 121.354 120.500 -0.022 0.000 0.587 5 R HA 0.229 4.569 4.340 -0.001 0.000 0.048 5 R C 0.467 176.749 176.300 -0.029 0.000 0.448 5 R CA 0.447 56.533 56.100 -0.023 0.000 2.164 5 R CB -0.203 30.085 30.300 -0.020 0.000 0.482 5 R HN 0.239 nan 8.270 nan 0.000 0.806 6 I N 0.973 121.525 120.570 -0.029 0.000 2.385 6 I HA 0.120 4.290 4.170 -0.001 0.000 0.294 6 I C -0.189 175.904 176.117 -0.039 0.000 0.988 6 I CA -0.078 61.199 61.300 -0.037 0.000 1.265 6 I CB 1.853 39.833 38.000 -0.034 0.000 1.388 6 I HN 0.319 nan 8.210 nan 0.000 0.480 7 S N 3.871 119.541 115.700 -0.051 0.000 2.593 7 S HA 0.616 5.086 4.470 -0.001 0.000 0.297 7 S C 0.009 174.573 174.600 -0.060 0.000 1.112 7 S CA -0.738 57.432 58.200 -0.050 0.000 1.043 7 S CB 1.837 65.004 63.200 -0.054 0.000 1.054 7 S HN 0.718 nan 8.310 nan 0.000 0.516 8 A N 2.230 125.023 122.820 -0.046 0.000 2.520 8 A HA 0.293 4.612 4.320 -0.001 0.000 0.245 8 A C 0.197 177.739 177.584 -0.069 0.000 1.072 8 A CA -0.165 51.847 52.037 -0.042 0.000 0.761 8 A CB -0.357 18.631 19.000 -0.020 0.000 1.004 8 A HN 0.867 nan 8.150 nan 0.000 0.499 9 I N 2.376 122.892 120.570 -0.089 0.000 2.692 9 I HA 0.052 4.222 4.170 -0.001 0.000 0.284 9 I C 0.030 176.091 176.117 -0.094 0.000 1.159 9 I CA -0.005 61.182 61.300 -0.188 0.000 1.423 9 I CB 0.426 38.275 38.000 -0.253 0.000 1.380 9 I HN 0.719 nan 8.210 nan 0.000 0.580 10 N N 6.928 125.546 118.700 -0.137 0.000 2.524 10 N HA 0.147 4.887 4.740 -0.001 0.000 0.261 10 N C -0.523 175.034 175.510 0.079 0.000 0.998 10 N CA -0.479 52.580 53.050 0.015 0.000 0.915 10 N CB 0.730 39.224 38.487 0.011 0.000 1.187 10 N HN 0.599 nan 8.380 nan 0.000 0.507 11 W N 1.828 123.171 121.300 0.071 0.000 3.180 11 W HA 0.254 4.914 4.660 -0.001 0.000 0.254 11 W C 0.913 177.419 176.519 -0.022 0.000 1.318 11 W CA -0.249 57.124 57.345 0.046 0.000 1.608 11 W CB 0.254 29.686 29.460 -0.046 0.000 1.124 11 W HN 0.442 nan 8.180 nan 0.000 0.694 12 N N 0.479 119.268 118.700 0.149 0.000 2.238 12 N HA 0.037 4.777 4.740 -0.001 0.000 0.222 12 N C 0.286 175.812 175.510 0.026 0.000 1.133 12 N CA 0.383 53.479 53.050 0.078 0.000 0.854 12 N CB 0.366 38.896 38.487 0.072 0.000 1.041 12 N HN -0.032 nan 8.380 nan 0.000 0.510 13 K N 1.277 121.675 120.400 -0.003 0.000 3.301 13 K HA 0.256 4.576 4.320 -0.001 0.000 0.170 13 K C -0.310 176.224 176.600 -0.110 0.000 1.061 13 K CA -0.413 55.856 56.287 -0.029 0.000 0.807 13 K CB 0.906 33.406 32.500 0.001 0.000 0.889 13 K HN -0.047 nan 8.250 nan 0.000 0.564 14 I N 1.781 122.216 120.570 -0.225 0.000 2.710 14 I HA -0.074 4.095 4.170 -0.001 0.000 0.286 14 I C 1.496 177.485 176.117 -0.212 0.000 1.181 14 I CA 0.803 61.840 61.300 -0.438 0.000 1.430 14 I CB 0.459 38.276 38.000 -0.306 0.000 1.367 14 I HN 0.354 nan 8.210 nan 0.000 0.577 15 Q N 2.401 122.092 119.800 -0.181 0.000 2.396 15 Q HA 0.082 4.422 4.340 -0.001 0.000 0.209 15 Q C -0.310 175.678 176.000 -0.021 0.000 0.906 15 Q CA 0.381 56.154 55.803 -0.049 0.000 0.927 15 Q CB 0.732 29.474 28.738 0.006 0.000 1.069 15 Q HN 0.570 nan 8.270 nan 0.000 0.523 16 D N -0.098 120.284 120.400 -0.030 0.000 2.470 16 D HA 0.050 4.690 4.640 -0.001 0.000 0.233 16 D C -0.326 175.989 176.300 0.025 0.000 1.372 16 D CA -0.225 53.799 54.000 0.040 0.000 0.994 16 D CB 1.103 41.976 40.800 0.121 0.000 1.377 16 D HN -0.174 nan 8.370 nan 0.000 0.586 17 D N 2.347 122.761 120.400 0.023 0.000 2.191 17 D HA -0.227 4.412 4.640 -0.001 0.000 0.195 17 D C 1.486 177.814 176.300 0.046 0.000 1.003 17 D CA 1.025 55.038 54.000 0.023 0.000 0.867 17 D CB 0.283 41.101 40.800 0.030 0.000 0.926 17 D HN 0.489 nan 8.370 nan 0.000 0.450 18 K N 0.436 120.863 120.400 0.045 0.000 2.280 18 K HA -0.144 4.175 4.320 -0.001 0.000 0.202 18 K C 1.304 177.971 176.600 0.112 0.000 1.047 18 K CA 1.028 57.327 56.287 0.020 0.000 0.942 18 K CB 0.228 32.596 32.500 -0.219 0.000 0.739 18 K HN -0.024 nan 8.250 nan 0.000 0.457 19 D N 0.661 121.161 120.400 0.166 0.000 2.117 19 D HA -0.162 4.478 4.640 -0.001 0.000 0.198 19 D C 1.756 178.186 176.300 0.216 0.000 0.982 19 D CA 0.767 54.895 54.000 0.213 0.000 0.828 19 D CB -0.068 40.834 40.800 0.170 0.000 0.967 19 D HN 0.153 nan 8.370 nan 0.000 0.464 20 L N 1.359 122.689 121.223 0.177 0.000 2.056 20 L HA -0.083 4.257 4.340 -0.001 0.000 0.207 20 L C 1.930 178.959 176.870 0.265 0.000 1.078 20 L CA 1.632 56.646 54.840 0.291 0.000 0.749 20 L CB -0.458 41.713 42.059 0.186 0.000 0.901 20 L HN -0.061 nan 8.230 nan 0.000 0.433 21 E N -0.924 119.369 120.200 0.155 0.000 2.023 21 E HA -0.227 4.122 4.350 -0.001 0.000 0.196 21 E C 2.116 178.779 176.600 0.105 0.000 1.003 21 E CA 1.905 58.373 56.400 0.114 0.000 0.809 21 E CB -0.283 29.464 29.700 0.078 0.000 0.755 21 E HN 0.384 nan 8.360 nan 0.000 0.449 22 V N 1.368 121.319 119.914 0.062 0.000 2.343 22 V HA -0.250 3.870 4.120 -0.001 0.000 0.247 22 V C 1.986 178.105 176.094 0.043 0.000 1.051 22 V CA 1.708 63.993 62.300 -0.025 0.000 1.036 22 V CB -0.752 30.854 31.823 -0.362 0.000 0.654 22 V HN 0.547 nan 8.190 nan 0.000 0.451 23 W N 1.589 122.881 121.300 -0.013 0.000 2.335 23 W HA -0.228 4.432 4.660 -0.000 0.000 0.311 23 W C 2.264 178.798 176.519 0.025 0.000 1.213 23 W CA 2.135 59.513 57.345 0.055 0.000 1.274 23 W CB -0.535 29.052 29.460 0.211 0.000 1.148 23 W HN 0.337 nan 8.180 nan 0.000 0.498 24 N N 0.602 119.375 118.700 0.122 0.000 2.120 24 N HA -0.194 4.545 4.740 -0.001 0.000 0.188 24 N C 1.953 177.419 175.510 -0.073 0.000 1.024 24 N CA 1.725 54.766 53.050 -0.015 0.000 0.852 24 N CB -0.812 37.735 38.487 0.099 0.000 1.003 24 N HN 0.293 nan 8.380 nan 0.000 0.424 25 R N 0.800 121.289 120.500 -0.019 0.000 2.073 25 R HA 0.021 4.361 4.340 -0.001 0.000 0.234 25 R C 2.207 178.493 176.300 -0.023 0.000 1.134 25 R CA 0.871 56.965 56.100 -0.010 0.000 0.952 25 R CB -0.178 30.133 30.300 0.019 0.000 0.850 25 R HN 0.160 nan 8.270 nan 0.000 0.433 26 L N -0.019 121.176 121.223 -0.046 0.000 2.056 26 L HA -0.131 4.209 4.340 -0.001 0.000 0.207 26 L C 2.641 179.461 176.870 -0.082 0.000 1.078 26 L CA 1.778 56.605 54.840 -0.022 0.000 0.749 26 L CB -0.681 41.380 42.059 0.003 0.000 0.901 26 L HN 0.429 nan 8.230 nan 0.000 0.433 27 T N -4.523 109.859 114.554 -0.286 0.000 2.857 27 T HA -0.096 4.254 4.350 -0.001 0.000 0.266 27 T C 2.018 176.651 174.700 -0.112 0.000 1.048 27 T CA 1.227 63.133 62.100 -0.324 0.000 1.139 27 T CB -0.318 68.116 68.868 -0.722 0.000 0.874 27 T HN 0.125 nan 8.240 nan 0.000 0.455 28 S N 2.395 118.039 115.700 -0.094 0.000 2.399 28 S HA -0.044 4.426 4.470 -0.001 0.000 0.231 28 S C 1.649 176.286 174.600 0.061 0.000 1.022 28 S CA 1.095 59.288 58.200 -0.012 0.000 0.983 28 S CB -0.579 62.613 63.200 -0.014 0.000 0.803 28 S HN 0.698 nan 8.310 nan 0.000 0.480 29 N N 0.380 119.129 118.700 0.081 0.000 2.362 29 N HA 0.153 4.893 4.740 -0.001 0.000 0.204 29 N C -0.133 175.542 175.510 0.276 0.000 1.166 29 N CA -0.330 52.808 53.050 0.146 0.000 0.831 29 N CB 0.026 38.585 38.487 0.120 0.000 1.008 29 N HN 0.277 nan 8.380 nan 0.000 0.472 30 F N 3.101 123.103 119.950 0.087 0.000 2.595 30 F HA 0.014 4.540 4.527 -0.001 0.000 0.359 30 F C 0.158 176.073 175.800 0.191 0.000 1.147 30 F CA -0.063 57.974 58.000 0.063 0.000 1.341 30 F CB 0.331 39.335 39.000 0.007 0.000 1.104 30 F HN 0.102 nan 8.300 nan 0.000 0.603 31 W N 5.645 126.264 121.300 -1.136 0.000 3.057 31 W HA 0.597 5.256 4.660 -0.001 0.000 0.328 31 W C -2.746 173.240 176.519 -0.888 0.000 1.232 31 W CA -1.452 55.380 57.345 -0.855 0.000 1.187 31 W CB 0.497 29.723 29.460 -0.389 0.000 1.417 31 W HN 0.599 nan 8.180 nan 0.000 0.569 32 L N 2.010 123.049 121.223 -0.306 0.000 2.393 32 L HA 0.393 4.733 4.340 -0.001 0.000 0.260 32 L C -1.178 175.764 176.870 0.119 0.000 1.002 32 L CA -2.142 52.527 54.840 -0.286 0.000 0.818 32 L CB 3.168 45.113 42.059 -0.189 0.000 1.369 32 L HN 0.094 nan 8.230 nan 0.000 0.412 33 P HA -0.165 nan 4.420 nan 0.000 0.221 33 P C 0.596 177.919 177.300 0.040 0.000 1.145 33 P CA 1.220 64.393 63.100 0.120 0.000 0.795 33 P CB 0.338 32.050 31.700 0.020 0.000 0.775 34 E N 0.686 120.898 120.200 0.019 0.000 2.204 34 E HA -0.128 4.221 4.350 -0.001 0.000 0.195 34 E C 1.542 178.149 176.600 0.011 0.000 0.990 34 E CA 0.856 57.261 56.400 0.009 0.000 0.821 34 E CB -0.471 29.237 29.700 0.012 0.000 0.750 34 E HN 0.348 nan 8.360 nan 0.000 0.477 35 K N 0.848 121.263 120.400 0.024 0.000 2.525 35 K HA 0.097 4.417 4.320 -0.001 0.000 0.192 35 K C 0.330 176.919 176.600 -0.019 0.000 1.029 35 K CA 0.069 56.364 56.287 0.013 0.000 1.029 35 K CB 0.278 32.797 32.500 0.031 0.000 0.814 35 K HN -0.031 nan 8.250 nan 0.000 0.503 36 V N 4.161 124.058 119.914 -0.027 0.000 2.357 36 V HA 0.148 4.268 4.120 -0.001 0.000 0.284 36 V C -2.153 173.912 176.094 -0.048 0.000 1.018 36 V CA -1.726 60.537 62.300 -0.062 0.000 0.841 36 V CB 1.805 33.568 31.823 -0.100 0.000 0.991 36 V HN 0.002 nan 8.190 nan 0.000 0.437 37 P HA 0.106 nan 4.420 nan 0.000 0.235 37 P C 1.064 178.341 177.300 -0.038 0.000 1.720 37 P CA 0.103 63.181 63.100 -0.036 0.000 1.003 37 P CB 0.265 31.945 31.700 -0.033 0.000 1.968 38 L N 1.050 122.248 121.223 -0.042 0.000 2.043 38 L HA -0.248 4.092 4.340 -0.001 0.000 0.212 38 L C 2.756 179.607 176.870 -0.031 0.000 1.075 38 L CA 2.168 56.982 54.840 -0.042 0.000 0.752 38 L CB -1.167 40.861 42.059 -0.051 0.000 0.891 38 L HN 0.261 nan 8.230 nan 0.000 0.432 39 S N -0.252 115.431 115.700 -0.028 0.000 2.392 39 S HA -0.286 4.184 4.470 -0.001 0.000 0.232 39 S C 1.442 176.035 174.600 -0.012 0.000 1.041 39 S CA 1.923 60.110 58.200 -0.022 0.000 1.026 39 S CB -1.099 62.090 63.200 -0.017 0.000 0.845 39 S HN 0.563 nan 8.310 nan 0.000 0.465 40 N N 1.466 120.158 118.700 -0.013 0.000 2.635 40 N HA -0.051 4.688 4.740 -0.001 0.000 0.191 40 N C 0.215 175.726 175.510 0.002 0.000 1.155 40 N CA 0.953 53.997 53.050 -0.009 0.000 0.927 40 N CB -0.145 38.333 38.487 -0.017 0.000 0.976 40 N HN 0.494 nan 8.380 nan 0.000 0.448 41 D N -0.017 120.390 120.400 0.011 0.000 2.389 41 D HA 0.153 4.793 4.640 -0.001 0.000 0.206 41 D C 1.715 178.064 176.300 0.083 0.000 1.055 41 D CA -0.088 53.938 54.000 0.043 0.000 0.856 41 D CB 0.356 41.189 40.800 0.055 0.000 0.957 41 D HN 0.185 nan 8.370 nan 0.000 0.509 42 I N 2.276 122.876 120.570 0.051 0.000 2.151 42 I HA -0.210 3.959 4.170 -0.001 0.000 0.243 42 I C -0.461 175.728 176.117 0.120 0.000 1.080 42 I CA 1.319 62.663 61.300 0.073 0.000 1.339 42 I CB -1.467 36.550 38.000 0.027 0.000 1.039 42 I HN 0.100 nan 8.210 nan 0.000 0.409 43 P HA -0.220 nan 4.420 nan 0.000 0.214 43 P C 1.462 178.790 177.300 0.046 0.000 1.163 43 P CA 2.336 65.465 63.100 0.048 0.000 0.883 43 P CB -0.056 31.655 31.700 0.018 0.000 0.788 44 A N -0.242 122.599 122.820 0.034 0.000 2.019 44 A HA -0.173 4.147 4.320 -0.001 0.000 0.219 44 A C 2.282 179.860 177.584 -0.010 0.000 1.164 44 A CA 1.195 53.222 52.037 -0.017 0.000 0.644 44 A CB -2.059 16.917 19.000 -0.040 0.000 0.805 44 A HN 0.350 nan 8.150 nan 0.000 0.449 45 W N 0.749 121.995 121.300 -0.089 0.000 2.363 45 W HA -0.208 4.452 4.660 -0.001 0.000 0.296 45 W C 1.306 177.780 176.519 -0.076 0.000 1.212 45 W CA 2.028 59.324 57.345 -0.081 0.000 1.260 45 W CB -0.227 29.218 29.460 -0.025 0.000 1.131 45 W HN 0.412 nan 8.180 nan 0.000 0.530 46 Q N -0.309 119.499 119.800 0.013 0.000 2.515 46 Q HA -0.090 4.250 4.340 -0.001 0.000 0.212 46 Q C 2.036 177.940 176.000 -0.161 0.000 0.970 46 Q CA 1.836 57.592 55.803 -0.079 0.000 0.941 46 Q CB -0.622 28.136 28.738 0.033 0.000 0.998 46 Q HN 0.277 nan 8.270 nan 0.000 0.518 47 T N -2.818 111.623 114.554 -0.188 0.000 3.194 47 T HA 0.175 4.524 4.350 -0.001 0.000 0.251 47 T C 0.212 174.764 174.700 -0.247 0.000 1.132 47 T CA -0.069 61.922 62.100 -0.183 0.000 1.028 47 T CB 0.038 68.806 68.868 -0.165 0.000 0.976 47 T HN -0.102 nan 8.240 nan 0.000 0.535 48 L N 2.639 123.648 121.223 -0.358 0.000 2.331 48 L HA 0.551 4.891 4.340 -0.001 0.000 0.275 48 L C 0.739 177.428 176.870 -0.302 0.000 1.022 48 L CA -0.557 54.054 54.840 -0.381 0.000 0.812 48 L CB 1.759 43.456 42.059 -0.603 0.000 1.257 48 L HN 0.293 nan 8.230 nan 0.000 0.435 49 S N 0.994 116.566 115.700 -0.213 0.000 2.596 49 S HA 0.366 4.836 4.470 -0.001 0.000 0.260 49 S C 1.249 175.741 174.600 -0.179 0.000 1.336 49 S CA -0.024 58.079 58.200 -0.162 0.000 0.993 49 S CB 0.703 63.830 63.200 -0.122 0.000 0.923 49 S HN 0.726 nan 8.310 nan 0.000 0.567 50 A N 0.853 123.594 122.820 -0.132 0.000 2.015 50 A HA 0.225 4.544 4.320 -0.001 0.000 0.219 50 A C 2.290 179.802 177.584 -0.120 0.000 1.163 50 A CA 1.478 53.448 52.037 -0.113 0.000 0.646 50 A CB -1.520 17.433 19.000 -0.079 0.000 0.806 50 A HN 1.231 nan 8.150 nan 0.000 0.448 51 A N 0.149 122.893 122.820 -0.126 0.000 1.872 51 A HA -0.099 4.221 4.320 -0.001 0.000 0.214 51 A C 1.895 179.394 177.584 -0.142 0.000 1.187 51 A CA 1.397 53.353 52.037 -0.135 0.000 0.614 51 A CB -0.455 18.465 19.000 -0.134 0.000 0.826 51 A HN 0.610 nan 8.150 nan 0.000 0.442 52 E N -0.043 120.081 120.200 -0.127 0.000 2.031 52 E HA -0.247 4.102 4.350 -0.001 0.000 0.193 52 E C 2.276 178.791 176.600 -0.141 0.000 0.994 52 E CA 1.427 57.779 56.400 -0.078 0.000 0.800 52 E CB -0.318 29.361 29.700 -0.035 0.000 0.752 52 E HN 0.705 nan 8.360 nan 0.000 0.447 53 Q N 0.763 120.419 119.800 -0.241 0.000 2.077 53 Q HA -0.269 4.071 4.340 -0.001 0.000 0.206 53 Q C 2.352 178.336 176.000 -0.027 0.000 0.989 53 Q CA 1.704 57.371 55.803 -0.225 0.000 0.853 53 Q CB -0.216 28.381 28.738 -0.235 0.000 0.907 53 Q HN 0.320 nan 8.270 nan 0.000 0.418 54 Q N 0.711 120.457 119.800 -0.090 0.000 2.084 54 Q HA -0.183 4.156 4.340 -0.001 0.000 0.202 54 Q C 2.145 178.011 176.000 -0.222 0.000 0.978 54 Q CA 1.008 56.731 55.803 -0.133 0.000 0.844 54 Q CB -0.144 28.496 28.738 -0.164 0.000 0.898 54 Q HN 0.444 nan 8.270 nan 0.000 0.426 55 L N 0.228 121.306 121.223 -0.241 0.000 1.970 55 L HA -0.232 4.108 4.340 -0.001 0.000 0.212 55 L C 2.233 178.916 176.870 -0.312 0.000 1.071 55 L CA 2.089 56.732 54.840 -0.329 0.000 0.751 55 L CB -0.692 41.181 42.059 -0.310 0.000 0.889 55 L HN 0.343 nan 8.230 nan 0.000 0.432 56 T N 0.620 115.037 114.554 -0.228 0.000 2.653 56 T HA -0.267 4.082 4.350 -0.001 0.000 0.268 56 T C 1.830 176.327 174.700 -0.337 0.000 1.035 56 T CA 2.158 64.070 62.100 -0.313 0.000 1.154 56 T CB -0.426 68.384 68.868 -0.097 0.000 0.862 56 T HN 0.341 nan 8.240 nan 0.000 0.441 57 I N 0.388 120.926 120.570 -0.052 0.000 2.361 57 I HA -0.165 4.004 4.170 -0.001 0.000 0.251 57 I C 2.763 178.902 176.117 0.037 0.000 1.133 57 I CA 1.280 62.643 61.300 0.104 0.000 1.413 57 I CB -0.346 37.647 38.000 -0.012 0.000 1.073 57 I HN 0.153 nan 8.210 nan 0.000 0.424 58 R N 0.077 120.468 120.500 -0.182 0.000 2.090 58 R HA -0.056 4.283 4.340 -0.001 0.000 0.228 58 R C 2.346 178.663 176.300 0.028 0.000 1.110 58 R CA 0.912 56.839 56.100 -0.290 0.000 0.973 58 R CB -0.273 29.383 30.300 -1.072 0.000 0.869 58 R HN 0.185 nan 8.270 nan 0.000 0.440 59 V N 0.747 120.639 119.914 -0.036 0.000 2.295 59 V HA -0.246 3.873 4.120 -0.001 0.000 0.246 59 V C 2.033 178.275 176.094 0.248 0.000 1.049 59 V CA 1.675 64.052 62.300 0.128 0.000 1.024 59 V CB -0.516 31.326 31.823 0.032 0.000 0.648 59 V HN 0.164 nan 8.190 nan 0.000 0.447 60 F N 0.829 120.803 119.950 0.040 0.000 2.216 60 F HA -0.111 4.416 4.527 -0.001 0.000 0.300 60 F C 2.583 178.299 175.800 -0.140 0.000 1.085 60 F CA 1.464 59.356 58.000 -0.179 0.000 1.326 60 F CB -1.784 37.227 39.000 0.019 0.000 1.027 60 F HN 0.168 nan 8.300 nan 0.000 0.497 61 T N -0.612 114.145 114.554 0.338 0.000 2.812 61 T HA -0.059 4.290 4.350 -0.001 0.000 0.264 61 T C 2.385 177.135 174.700 0.085 0.000 1.042 61 T CA 1.317 63.519 62.100 0.169 0.000 1.140 61 T CB -0.819 68.117 68.868 0.113 0.000 0.870 61 T HN 0.366 nan 8.240 nan 0.000 0.445 62 G N 1.498 110.421 108.800 0.205 0.000 2.418 62 G HA2 -0.115 3.845 3.960 -0.001 0.000 0.217 62 G HA3 -0.115 3.845 3.960 -0.001 0.000 0.217 62 G C 1.478 176.365 174.900 -0.022 0.000 1.158 62 G CA 0.431 45.611 45.100 0.135 0.000 0.771 62 G HN 0.435 nan 8.290 nan 0.000 0.545 63 L N 0.492 121.633 121.223 -0.137 0.000 2.083 63 L HA -0.080 4.260 4.340 -0.001 0.000 0.209 63 L C 3.131 179.984 176.870 -0.029 0.000 1.083 63 L CA 1.464 56.104 54.840 -0.334 0.000 0.752 63 L CB -0.797 40.882 42.059 -0.633 0.000 0.899 63 L HN 0.158 nan 8.230 nan 0.000 0.433 64 T N 0.291 114.804 114.554 -0.069 0.000 2.833 64 T HA -0.174 4.175 4.350 -0.001 0.000 0.269 64 T C 1.819 176.631 174.700 0.186 0.000 1.054 64 T CA 1.182 63.388 62.100 0.177 0.000 1.135 64 T CB -0.190 68.784 68.868 0.176 0.000 0.869 64 T HN 0.128 nan 8.240 nan 0.000 0.466 65 L N 0.970 122.253 121.223 0.100 0.000 2.056 65 L HA 0.082 4.422 4.340 -0.001 0.000 0.207 65 L C 2.086 179.048 176.870 0.153 0.000 1.078 65 L CA 1.552 56.447 54.840 0.093 0.000 0.749 65 L CB -0.708 41.364 42.059 0.021 0.000 0.901 65 L HN 0.241 nan 8.230 nan 0.000 0.433 66 L N -0.774 120.572 121.223 0.205 0.000 2.017 66 L HA -0.200 4.140 4.340 -0.001 0.000 0.208 66 L C 2.327 179.411 176.870 0.357 0.000 1.073 66 L CA 1.468 56.497 54.840 0.316 0.000 0.745 66 L CB -0.957 41.400 42.059 0.496 0.000 0.894 66 L HN 0.297 nan 8.230 nan 0.000 0.432 67 D N -0.359 120.307 120.400 0.443 0.000 2.117 67 D HA -0.148 4.491 4.640 -0.001 0.000 0.197 67 D C 2.123 178.549 176.300 0.209 0.000 0.987 67 D CA 1.785 55.975 54.000 0.318 0.000 0.829 67 D CB -0.124 40.929 40.800 0.422 0.000 0.961 67 D HN 0.301 nan 8.370 nan 0.000 0.460 68 T N 1.462 116.143 114.554 0.211 0.000 2.720 68 T HA -0.123 4.226 4.350 -0.001 0.000 0.268 68 T C 2.231 177.016 174.700 0.142 0.000 1.037 68 T CA 0.646 62.842 62.100 0.160 0.000 1.144 68 T CB -0.138 68.825 68.868 0.157 0.000 0.864 68 T HN 0.185 nan 8.240 nan 0.000 0.444 69 I N 0.632 121.301 120.570 0.165 0.000 2.202 69 I HA -0.171 3.998 4.170 -0.001 0.000 0.242 69 I C 2.837 179.063 176.117 0.182 0.000 1.091 69 I CA 1.186 62.593 61.300 0.180 0.000 1.368 69 I CB -0.373 37.749 38.000 0.204 0.000 1.058 69 I HN 0.162 nan 8.210 nan 0.000 0.410 70 Q N 1.265 121.171 119.800 0.177 0.000 2.135 70 Q HA -0.250 4.089 4.340 -0.001 0.000 0.204 70 Q C 1.800 177.816 176.000 0.026 0.000 0.981 70 Q CA 2.075 57.941 55.803 0.105 0.000 0.856 70 Q CB -0.378 28.411 28.738 0.086 0.000 0.902 70 Q HN 0.445 nan 8.270 nan 0.000 0.425 71 N N -0.840 117.888 118.700 0.046 0.000 2.135 71 N HA -0.054 4.686 4.740 -0.001 0.000 0.186 71 N C 1.320 176.849 175.510 0.031 0.000 1.027 71 N CA 1.611 54.675 53.050 0.024 0.000 0.849 71 N CB -0.031 38.478 38.487 0.038 0.000 1.002 71 N HN 0.365 nan 8.380 nan 0.000 0.425 72 I N -1.113 119.490 120.570 0.054 0.000 3.265 72 I HA 0.193 4.362 4.170 -0.001 0.000 0.282 72 I C 1.699 177.842 176.117 0.044 0.000 1.207 72 I CA 0.571 61.903 61.300 0.053 0.000 1.449 72 I CB 0.124 38.166 38.000 0.071 0.000 1.121 72 I HN 0.220 nan 8.210 nan 0.000 0.442 73 A N 0.283 123.136 122.820 0.055 0.000 1.997 73 A HA 0.383 4.703 4.320 -0.001 0.000 0.198 73 A C 2.032 179.530 177.584 -0.145 0.000 1.449 73 A CA 0.709 52.779 52.037 0.056 0.000 0.908 73 A CB -0.946 18.174 19.000 0.201 0.000 0.984 73 A HN 0.289 nan 8.150 nan 0.000 0.487 74 G N 0.089 108.735 108.800 -0.257 0.000 2.813 74 G HA2 0.100 4.060 3.960 -0.001 0.000 0.208 74 G HA3 0.100 4.060 3.960 -0.001 0.000 0.208 74 G C 1.779 176.396 174.900 -0.472 0.000 1.395 74 G CA 1.738 46.338 45.100 -0.832 0.000 0.849 74 G HN 0.981 nan 8.290 nan 0.000 0.617 75 A N 1.672 124.346 122.820 -0.244 0.000 1.944 75 A HA -0.157 4.162 4.320 -0.001 0.000 0.222 75 A C 0.850 178.365 177.584 -0.115 0.000 1.237 75 A CA 2.871 54.819 52.037 -0.149 0.000 0.668 75 A CB -1.669 17.271 19.000 -0.098 0.000 0.830 75 A HN 0.433 nan 8.150 nan 0.000 0.471 76 P HA -0.114 nan 4.420 nan 0.000 0.218 76 P C 1.812 179.071 177.300 -0.068 0.000 1.149 76 P CA 1.814 64.880 63.100 -0.056 0.000 0.817 76 P CB -0.149 31.533 31.700 -0.030 0.000 0.785 77 S N -1.176 114.449 115.700 -0.124 0.000 2.461 77 S HA 0.001 4.471 4.470 -0.001 0.000 0.228 77 S C 1.744 176.294 174.600 -0.084 0.000 1.005 77 S CA 0.595 58.739 58.200 -0.093 0.000 0.942 77 S CB -1.373 61.763 63.200 -0.107 0.000 0.776 77 S HN 0.079 nan 8.310 nan 0.000 0.514 78 L N -0.202 120.953 121.223 -0.114 0.000 2.395 78 L HA 0.162 4.501 4.340 -0.001 0.000 0.218 78 L C 2.554 179.401 176.870 -0.040 0.000 1.130 78 L CA 0.477 55.273 54.840 -0.074 0.000 0.826 78 L CB -0.547 41.463 42.059 -0.082 0.000 0.941 78 L HN 0.318 nan 8.230 nan 0.000 0.451 79 M N 0.828 120.408 119.600 -0.032 0.000 2.082 79 M HA -0.211 4.269 4.480 -0.001 0.000 0.258 79 M C 2.367 178.658 176.300 -0.016 0.000 1.071 79 M CA 2.297 57.590 55.300 -0.012 0.000 1.103 79 M CB -0.448 32.147 32.600 -0.008 0.000 1.307 79 M HN 0.211 nan 8.290 nan 0.000 0.409 80 A N -0.734 122.075 122.820 -0.019 0.000 2.131 80 A HA -0.159 4.161 4.320 -0.001 0.000 0.220 80 A C 1.387 178.956 177.584 -0.024 0.000 1.158 80 A CA 1.995 54.021 52.037 -0.019 0.000 0.665 80 A CB -0.881 18.111 19.000 -0.014 0.000 0.795 80 A HN 0.626 nan 8.150 nan 0.000 0.460 81 D N -0.431 119.953 120.400 -0.027 0.000 2.369 81 D HA 0.349 4.989 4.640 -0.001 0.000 0.211 81 D C 0.772 177.047 176.300 -0.041 0.000 1.077 81 D CA 0.609 54.588 54.000 -0.034 0.000 0.842 81 D CB -0.089 40.691 40.800 -0.034 0.000 0.947 81 D HN 0.431 nan 8.370 nan 0.000 0.509 82 A N 1.085 123.886 122.820 -0.032 0.000 2.466 82 A HA 0.252 4.572 4.320 -0.001 0.000 0.238 82 A C 1.235 178.796 177.584 -0.038 0.000 1.074 82 A CA -0.072 51.948 52.037 -0.028 0.000 0.774 82 A CB 0.018 19.014 19.000 -0.008 0.000 1.015 82 A HN 0.306 nan 8.150 nan 0.000 0.498 83 I N -0.924 119.624 120.570 -0.037 0.000 4.082 83 I HA 0.279 4.448 4.170 -0.001 0.000 0.337 83 I C 0.383 176.483 176.117 -0.028 0.000 1.352 83 I CA 0.379 61.654 61.300 -0.041 0.000 1.097 83 I CB -0.107 37.860 38.000 -0.056 0.000 1.048 83 I HN 0.567 nan 8.210 nan 0.000 0.393 84 T N -3.226 111.317 114.554 -0.019 0.000 2.894 84 T HA 0.489 4.838 4.350 -0.001 0.000 0.309 84 T C -2.599 172.042 174.700 -0.099 0.000 1.208 84 T CA -1.354 60.734 62.100 -0.020 0.000 1.016 84 T CB 2.137 71.048 68.868 0.072 0.000 1.192 84 T HN -0.301 nan 8.240 nan 0.000 0.491 85 P HA -0.030 nan 4.420 nan 0.000 0.218 85 P C 0.908 177.904 177.300 -0.507 0.000 1.149 85 P CA 1.216 64.073 63.100 -0.405 0.000 0.817 85 P CB -0.116 31.240 31.700 -0.574 0.000 0.785 86 H N -0.960 117.884 119.070 -0.377 0.000 2.423 86 H HA -0.071 4.485 4.556 -0.001 0.000 0.297 86 H C 2.027 177.295 175.328 -0.099 0.000 1.075 86 H CA 1.159 56.893 56.048 -0.524 0.000 1.342 86 H CB -0.515 28.805 29.762 -0.737 0.000 1.395 86 H HN 0.257 nan 8.280 nan 0.000 0.530 87 E N 1.247 121.515 120.200 0.113 0.000 2.110 87 E HA -0.201 4.149 4.350 -0.001 0.000 0.193 87 E C 1.570 178.284 176.600 0.190 0.000 0.988 87 E CA 1.002 57.553 56.400 0.251 0.000 0.804 87 E CB 0.131 29.941 29.700 0.183 0.000 0.745 87 E HN 0.614 nan 8.360 nan 0.000 0.458 88 E N 0.124 120.366 120.200 0.070 0.000 2.077 88 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 88 E C 2.030 178.698 176.600 0.114 0.000 0.989 88 E CA 0.968 57.403 56.400 0.058 0.000 0.800 88 E CB -0.125 29.569 29.700 -0.011 0.000 0.746 88 E HN 0.335 nan 8.360 nan 0.000 0.452 89 A N 0.872 123.767 122.820 0.125 0.000 1.930 89 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 89 A C 2.467 180.317 177.584 0.444 0.000 1.175 89 A CA 0.930 53.112 52.037 0.242 0.000 0.627 89 A CB -0.479 18.646 19.000 0.209 0.000 0.815 89 A HN 0.107 nan 8.150 nan 0.000 0.443 90 V N 0.070 120.253 119.914 0.449 0.000 2.358 90 V HA -0.234 3.886 4.120 -0.001 0.000 0.246 90 V C 2.523 178.790 176.094 0.289 0.000 1.047 90 V CA 1.883 64.459 62.300 0.461 0.000 1.035 90 V CB -0.673 31.349 31.823 0.332 0.000 0.658 90 V HN 0.578 nan 8.190 nan 0.000 0.452 91 L N 0.717 122.089 121.223 0.249 0.000 2.131 91 L HA -0.143 4.196 4.340 -0.001 0.000 0.210 91 L C 2.680 179.616 176.870 0.110 0.000 1.092 91 L CA 1.722 56.653 54.840 0.151 0.000 0.759 91 L CB -0.640 41.488 42.059 0.115 0.000 0.903 91 L HN 0.562 nan 8.230 nan 0.000 0.435 92 S N -0.615 115.177 115.700 0.153 0.000 2.406 92 S HA -0.195 4.275 4.470 -0.001 0.000 0.228 92 S C 1.823 176.521 174.600 0.163 0.000 1.020 92 S CA 1.163 59.445 58.200 0.136 0.000 0.965 92 S CB -0.532 62.752 63.200 0.141 0.000 0.798 92 S HN 0.529 nan 8.310 nan 0.000 0.488 93 N N 1.801 120.620 118.700 0.199 0.000 2.171 93 N HA -0.041 4.699 4.740 -0.001 0.000 0.184 93 N C 1.848 177.427 175.510 0.116 0.000 1.021 93 N CA 1.477 54.631 53.050 0.174 0.000 0.854 93 N CB -0.336 38.202 38.487 0.085 0.000 0.994 93 N HN 0.518 nan 8.380 nan 0.000 0.426 94 I N 0.675 121.263 120.570 0.030 0.000 2.163 94 I HA -0.256 3.914 4.170 -0.001 0.000 0.243 94 I C 2.668 178.704 176.117 -0.136 0.000 1.085 94 I CA 1.089 62.294 61.300 -0.158 0.000 1.347 94 I CB -0.474 37.323 38.000 -0.338 0.000 1.044 94 I HN 0.200 nan 8.210 nan 0.000 0.408 95 S N 0.688 116.361 115.700 -0.045 0.000 2.370 95 S HA -0.253 4.216 4.470 -0.001 0.000 0.226 95 S C 2.065 176.674 174.600 0.015 0.000 1.033 95 S CA 1.573 59.760 58.200 -0.022 0.000 1.011 95 S CB -0.474 62.738 63.200 0.021 0.000 0.852 95 S HN 0.459 nan 8.310 nan 0.000 0.457 96 F N 2.182 122.091 119.950 -0.068 0.000 2.102 96 F HA 0.013 4.539 4.527 -0.001 0.000 0.298 96 F C 2.032 177.751 175.800 -0.136 0.000 1.105 96 F CA 1.607 59.563 58.000 -0.072 0.000 1.239 96 F CB -0.616 38.356 39.000 -0.046 0.000 0.991 96 F HN 0.173 nan 8.300 nan 0.000 0.474 97 M N 0.575 119.833 119.600 -0.570 0.000 2.279 97 M HA -0.149 4.331 4.480 -0.001 0.000 0.264 97 M C 1.914 177.677 176.300 -0.895 0.000 1.062 97 M CA 1.181 55.973 55.300 -0.848 0.000 1.099 97 M CB -1.285 31.035 32.600 -0.467 0.000 1.394 97 M HN 0.212 nan 8.290 nan 0.000 0.426 98 E N 0.192 120.077 120.200 -0.526 0.000 2.150 98 E HA -0.057 4.293 4.350 -0.001 0.000 0.193 98 E C 2.121 178.588 176.600 -0.223 0.000 0.985 98 E CA 1.343 57.532 56.400 -0.351 0.000 0.814 98 E CB -0.342 29.284 29.700 -0.124 0.000 0.752 98 E HN 0.498 nan 8.360 nan 0.000 0.466 99 A N 0.983 123.660 122.820 -0.238 0.000 1.930 99 A HA -0.101 4.219 4.320 -0.001 0.000 0.217 99 A C 2.601 180.054 177.584 -0.219 0.000 1.175 99 A CA 1.137 53.094 52.037 -0.133 0.000 0.627 99 A CB -0.559 18.414 19.000 -0.045 0.000 0.815 99 A HN 0.127 nan 8.150 nan 0.000 0.443 100 V N -0.152 119.467 119.914 -0.492 0.000 2.343 100 V HA -0.302 3.818 4.120 -0.001 0.000 0.247 100 V C 2.273 178.170 176.094 -0.327 0.000 1.051 100 V CA 2.254 64.227 62.300 -0.545 0.000 1.036 100 V CB -1.179 30.056 31.823 -0.980 0.000 0.654 100 V HN 0.731 nan 8.190 nan 0.000 0.451 101 H N -0.004 118.875 119.070 -0.318 0.000 2.267 101 H HA -0.174 4.381 4.556 -0.001 0.000 0.297 101 H C 2.386 177.620 175.328 -0.156 0.000 1.080 101 H CA 1.215 57.171 56.048 -0.153 0.000 1.278 101 H CB -0.164 29.619 29.762 0.035 0.000 1.365 101 H HN 0.474 nan 8.280 nan 0.000 0.489 102 A N 1.478 124.401 122.820 0.172 0.000 1.883 102 A HA -0.220 4.100 4.320 -0.001 0.000 0.217 102 A C 2.327 179.993 177.584 0.137 0.000 1.186 102 A CA 1.521 53.717 52.037 0.265 0.000 0.624 102 A CB -0.528 18.614 19.000 0.236 0.000 0.822 102 A HN 0.237 nan 8.150 nan 0.000 0.444 103 R N 0.261 120.776 120.500 0.024 0.000 2.127 103 R HA -0.090 4.250 4.340 -0.001 0.000 0.238 103 R C 2.158 178.418 176.300 -0.067 0.000 1.134 103 R CA 1.757 57.858 56.100 0.002 0.000 0.975 103 R CB -0.728 29.550 30.300 -0.037 0.000 0.865 103 R HN 0.497 nan 8.270 nan 0.000 0.447 104 S N 0.258 115.850 115.700 -0.181 0.000 2.383 104 S HA -0.156 4.314 4.470 -0.001 0.000 0.229 104 S C 1.588 175.970 174.600 -0.364 0.000 1.030 104 S CA 1.334 59.375 58.200 -0.265 0.000 1.002 104 S CB -0.334 62.686 63.200 -0.301 0.000 0.829 104 S HN 0.396 nan 8.310 nan 0.000 0.467 105 Y N 1.670 121.857 120.300 -0.190 0.000 2.242 105 Y HA -0.021 4.528 4.550 -0.001 0.000 0.291 105 Y C 2.835 178.414 175.900 -0.534 0.000 1.137 105 Y CA 0.586 58.419 58.100 -0.445 0.000 1.181 105 Y CB -0.863 37.392 38.460 -0.340 0.000 0.989 105 Y HN 0.155 nan 8.280 nan 0.000 0.527 106 S N -0.774 114.922 115.700 -0.007 0.000 2.423 106 S HA -0.158 4.312 4.470 -0.001 0.000 0.231 106 S C 2.236 176.868 174.600 0.053 0.000 1.014 106 S CA 1.218 59.505 58.200 0.145 0.000 0.965 106 S CB -0.332 62.992 63.200 0.205 0.000 0.785 106 S HN 0.401 nan 8.310 nan 0.000 0.495 107 S N 1.792 117.469 115.700 -0.038 0.000 2.348 107 S HA 0.019 4.489 4.470 -0.001 0.000 0.221 107 S C 1.790 176.354 174.600 -0.060 0.000 1.033 107 S CA 0.989 59.165 58.200 -0.040 0.000 1.010 107 S CB -0.386 62.776 63.200 -0.064 0.000 0.891 107 S HN 0.435 nan 8.310 nan 0.000 0.442 108 I N 0.730 121.213 120.570 -0.144 0.000 2.208 108 I HA -0.209 3.961 4.170 -0.001 0.000 0.245 108 I C 1.937 178.032 176.117 -0.037 0.000 1.097 108 I CA 1.298 62.520 61.300 -0.130 0.000 1.363 108 I CB -0.435 37.464 38.000 -0.168 0.000 1.051 108 I HN 0.205 nan 8.210 nan 0.000 0.413 109 F N 0.419 120.405 119.950 0.061 0.000 2.113 109 F HA -0.189 4.337 4.527 -0.001 0.000 0.297 109 F C 2.980 178.755 175.800 -0.042 0.000 1.103 109 F CA 1.399 59.411 58.000 0.020 0.000 1.248 109 F CB -1.441 37.634 39.000 0.124 0.000 0.999 109 F HN 0.009 nan 8.300 nan 0.000 0.475 110 S N -0.639 115.165 115.700 0.174 0.000 2.370 110 S HA -0.175 4.295 4.470 -0.001 0.000 0.226 110 S C 2.037 176.643 174.600 0.009 0.000 1.033 110 S CA 2.080 60.326 58.200 0.076 0.000 1.011 110 S CB -0.514 62.721 63.200 0.058 0.000 0.852 110 S HN 0.403 nan 8.310 nan 0.000 0.457 111 T N 1.300 115.840 114.554 -0.022 0.000 3.023 111 T HA 0.245 4.594 4.350 -0.001 0.000 0.266 111 T C 1.149 175.768 174.700 -0.135 0.000 1.093 111 T CA 0.807 62.869 62.100 -0.063 0.000 1.129 111 T CB -0.009 68.821 68.868 -0.063 0.000 0.899 111 T HN 0.358 nan 8.240 nan 0.000 0.491 112 L N -0.387 120.699 121.223 -0.228 0.000 3.259 112 L HA 0.378 4.717 4.340 -0.001 0.000 0.292 112 L C -0.228 176.286 176.870 -0.594 0.000 1.219 112 L CA -0.311 54.215 54.840 -0.524 0.000 1.035 112 L CB 0.741 42.263 42.059 -0.894 0.000 1.424 112 L HN 0.228 nan 8.230 nan 0.000 0.603 113 C N -0.869 118.295 119.300 -0.227 0.000 3.161 113 C HA 0.638 5.098 4.460 -0.001 0.000 0.330 113 C C -0.293 174.691 174.990 -0.011 0.000 1.396 113 C CA -0.650 58.313 59.018 -0.092 0.000 1.536 113 C CB 1.924 29.649 27.740 -0.025 0.000 1.978 113 C HN 0.176 nan 8.230 nan 0.000 0.454 114 Q N 0.205 120.016 119.800 0.018 0.000 2.322 114 Q HA 0.399 4.739 4.340 -0.001 0.000 0.265 114 Q C 0.809 176.806 176.000 -0.006 0.000 0.985 114 Q CA 0.132 55.944 55.803 0.015 0.000 0.849 114 Q CB 1.435 30.192 28.738 0.032 0.000 1.274 114 Q HN 0.798 nan 8.270 nan 0.000 0.449 115 T N 3.024 117.572 114.554 -0.010 0.000 2.567 115 T HA -0.340 4.010 4.350 -0.001 0.000 0.261 115 T C 1.312 175.993 174.700 -0.032 0.000 1.123 115 T CA 2.257 64.342 62.100 -0.025 0.000 1.166 115 T CB -0.203 68.654 68.868 -0.018 0.000 0.860 115 T HN 0.698 nan 8.240 nan 0.000 0.436 116 K N 0.871 121.261 120.400 -0.016 0.000 2.074 116 K HA -0.230 4.090 4.320 -0.001 0.000 0.209 116 K C 2.394 178.987 176.600 -0.012 0.000 1.048 116 K CA 2.057 58.338 56.287 -0.010 0.000 0.926 116 K CB -0.206 32.294 32.500 -0.001 0.000 0.713 116 K HN 0.532 nan 8.250 nan 0.000 0.444 117 E N -0.030 120.163 120.200 -0.012 0.000 2.153 117 E HA -0.148 4.202 4.350 -0.001 0.000 0.194 117 E C 1.783 178.350 176.600 -0.055 0.000 0.988 117 E CA 1.170 57.560 56.400 -0.016 0.000 0.811 117 E CB 0.204 29.911 29.700 0.012 0.000 0.746 117 E HN 0.208 nan 8.360 nan 0.000 0.466 118 V N 1.476 121.335 119.914 -0.092 0.000 2.407 118 V HA -0.170 3.950 4.120 -0.001 0.000 0.245 118 V C 1.566 177.639 176.094 -0.035 0.000 1.041 118 V CA 1.813 64.006 62.300 -0.178 0.000 1.040 118 V CB -0.380 31.307 31.823 -0.226 0.000 0.671 118 V HN 0.216 nan 8.190 nan 0.000 0.455 119 D N 0.647 121.018 120.400 -0.048 0.000 2.309 119 D HA -0.063 4.577 4.640 -0.001 0.000 0.212 119 D C 2.070 178.430 176.300 0.101 0.000 0.968 119 D CA 1.288 55.283 54.000 -0.008 0.000 0.882 119 D CB -0.129 40.647 40.800 -0.039 0.000 0.918 119 D HN 0.452 nan 8.370 nan 0.000 0.503 120 A N 0.806 123.669 122.820 0.071 0.000 1.897 120 A HA 0.066 4.386 4.320 -0.001 0.000 0.215 120 A C 2.290 179.965 177.584 0.151 0.000 1.181 120 A CA 1.641 53.728 52.037 0.084 0.000 0.620 120 A CB -0.496 18.519 19.000 0.025 0.000 0.821 120 A HN 0.224 nan 8.150 nan 0.000 0.443 121 A N -1.469 121.435 122.820 0.140 0.000 1.930 121 A HA -0.002 4.318 4.320 -0.001 0.000 0.217 121 A C 2.046 179.837 177.584 0.344 0.000 1.175 121 A CA 1.376 53.529 52.037 0.194 0.000 0.627 121 A CB -0.741 18.282 19.000 0.038 0.000 0.815 121 A HN 0.529 nan 8.150 nan 0.000 0.443 122 Y N 0.027 120.416 120.300 0.148 0.000 2.181 122 Y HA -0.113 4.437 4.550 -0.001 0.000 0.288 122 Y C 2.909 178.892 175.900 0.140 0.000 1.146 122 Y CA 0.874 59.063 58.100 0.149 0.000 1.164 122 Y CB -0.645 37.874 38.460 0.098 0.000 0.982 122 Y HN 0.323 nan 8.280 nan 0.000 0.515 123 A N -0.941 122.049 122.820 0.285 0.000 1.930 123 A HA -0.228 4.091 4.320 -0.001 0.000 0.217 123 A C 2.028 179.718 177.584 0.177 0.000 1.175 123 A CA 1.417 53.567 52.037 0.188 0.000 0.627 123 A CB -1.379 17.714 19.000 0.155 0.000 0.815 123 A HN 0.724 nan 8.150 nan 0.000 0.443 124 W N 1.968 123.299 121.300 0.052 0.000 2.355 124 W HA -0.246 4.414 4.660 -0.001 0.000 0.309 124 W C 2.547 179.088 176.519 0.037 0.000 1.206 124 W CA 2.603 59.968 57.345 0.033 0.000 1.284 124 W CB -0.430 29.041 29.460 0.018 0.000 1.145 124 W HN 0.393 nan 8.180 nan 0.000 0.502 125 S N -0.239 115.362 115.700 -0.164 0.000 2.402 125 S HA -0.172 4.298 4.470 -0.001 0.000 0.229 125 S C 1.474 175.903 174.600 -0.286 0.000 1.021 125 S CA 1.307 59.239 58.200 -0.447 0.000 0.974 125 S CB -0.672 62.438 63.200 -0.150 0.000 0.800 125 S HN 0.319 nan 8.310 nan 0.000 0.484 126 E N 1.229 121.356 120.200 -0.122 0.000 2.515 126 E HA 0.032 4.381 4.350 -0.001 0.000 0.201 126 E C 0.921 177.464 176.600 -0.094 0.000 1.071 126 E CA 0.605 56.965 56.400 -0.067 0.000 0.880 126 E CB -0.050 29.658 29.700 0.014 0.000 0.828 126 E HN 0.813 nan 8.360 nan 0.000 0.540 127 E N -0.594 119.503 120.200 -0.171 0.000 2.655 127 E HA 0.012 4.361 4.350 -0.001 0.000 0.212 127 E C 0.006 176.481 176.600 -0.208 0.000 0.927 127 E CA -0.225 56.090 56.400 -0.141 0.000 1.406 127 E CB 0.101 29.759 29.700 -0.069 0.000 1.385 127 E HN -0.038 nan 8.360 nan 0.000 0.748 128 N N 4.097 122.547 118.700 -0.418 0.000 2.417 128 N HA -0.029 4.711 4.740 -0.001 0.000 0.272 128 N C -1.317 174.071 175.510 -0.203 0.000 1.304 128 N CA -0.977 51.814 53.050 -0.431 0.000 0.906 128 N CB 0.860 38.778 38.487 -0.949 0.000 1.135 128 N HN -0.099 nan 8.380 nan 0.000 0.483 129 P HA -0.188 nan 4.420 nan 0.000 0.216 129 P C -1.380 175.902 177.300 -0.031 0.000 1.167 129 P CA 1.945 65.018 63.100 -0.045 0.000 0.914 129 P CB -0.805 30.889 31.700 -0.009 0.000 0.793 130 P HA -0.142 nan 4.420 nan 0.000 0.211 130 P C 2.048 179.291 177.300 -0.094 0.000 1.179 130 P CA 0.861 63.985 63.100 0.039 0.000 0.910 130 P CB -0.651 31.200 31.700 0.252 0.000 0.785 131 L N -0.162 120.979 121.223 -0.137 0.000 1.997 131 L HA -0.265 4.075 4.340 -0.001 0.000 0.216 131 L C 2.187 178.934 176.870 -0.205 0.000 1.074 131 L CA 2.083 56.742 54.840 -0.301 0.000 0.763 131 L CB -1.576 40.319 42.059 -0.274 0.000 0.890 131 L HN -0.029 nan 8.230 nan 0.000 0.434 132 Q N -0.813 118.889 119.800 -0.164 0.000 2.226 132 Q HA -0.220 4.120 4.340 -0.001 0.000 0.204 132 Q C 2.406 178.349 176.000 -0.094 0.000 0.975 132 Q CA 1.389 57.120 55.803 -0.119 0.000 0.866 132 Q CB -0.364 28.311 28.738 -0.105 0.000 0.915 132 Q HN 0.441 nan 8.270 nan 0.000 0.440 133 R N 1.823 122.268 120.500 -0.092 0.000 2.075 133 R HA -0.079 4.260 4.340 -0.001 0.000 0.226 133 R C 2.075 178.323 176.300 -0.087 0.000 1.114 133 R CA 1.729 57.784 56.100 -0.074 0.000 0.972 133 R CB -0.188 30.079 30.300 -0.055 0.000 0.869 133 R HN 0.308 nan 8.270 nan 0.000 0.437 134 K N -0.557 119.776 120.400 -0.111 0.000 2.097 134 K HA 0.027 4.346 4.320 -0.001 0.000 0.206 134 K C 1.944 178.484 176.600 -0.100 0.000 1.049 134 K CA 1.497 57.720 56.287 -0.107 0.000 0.933 134 K CB -0.437 31.972 32.500 -0.151 0.000 0.717 134 K HN 0.114 nan 8.250 nan 0.000 0.442 135 A N 1.520 124.280 122.820 -0.100 0.000 1.933 135 A HA -0.216 4.103 4.320 -0.001 0.000 0.218 135 A C 2.275 179.810 177.584 -0.081 0.000 1.175 135 A CA 1.605 53.598 52.037 -0.073 0.000 0.628 135 A CB -0.601 18.364 19.000 -0.058 0.000 0.814 135 A HN 0.572 nan 8.150 nan 0.000 0.444 136 Q N -0.319 119.432 119.800 -0.083 0.000 2.079 136 Q HA -0.128 4.212 4.340 -0.001 0.000 0.200 136 Q C 1.973 177.899 176.000 -0.123 0.000 0.974 136 Q CA 1.529 57.285 55.803 -0.080 0.000 0.840 136 Q CB -0.227 28.473 28.738 -0.063 0.000 0.898 136 Q HN 0.718 nan 8.270 nan 0.000 0.430 137 I N 0.297 120.780 120.570 -0.144 0.000 2.076 137 I HA -0.320 3.850 4.170 -0.001 0.000 0.237 137 I C 2.137 178.028 176.117 -0.375 0.000 1.059 137 I CA 0.975 62.142 61.300 -0.223 0.000 1.317 137 I CB -0.366 37.541 38.000 -0.156 0.000 1.037 137 I HN 0.242 nan 8.210 nan 0.000 0.398 138 I N 0.261 120.653 120.570 -0.296 0.000 2.151 138 I HA -0.295 3.875 4.170 -0.001 0.000 0.243 138 I C 2.322 178.092 176.117 -0.578 0.000 1.080 138 I CA 1.445 62.499 61.300 -0.409 0.000 1.339 138 I CB -0.747 37.074 38.000 -0.299 0.000 1.039 138 I HN 0.195 nan 8.210 nan 0.000 0.409 139 L N 0.499 121.519 121.223 -0.338 0.000 2.191 139 L HA -0.112 4.227 4.340 -0.001 0.000 0.212 139 L C 2.428 179.249 176.870 -0.082 0.000 1.103 139 L CA 1.903 56.640 54.840 -0.172 0.000 0.769 139 L CB -0.895 41.140 42.059 -0.039 0.000 0.908 139 L HN 0.239 nan 8.230 nan 0.000 0.438 140 A N -1.627 121.112 122.820 -0.134 0.000 1.969 140 A HA -0.224 4.095 4.320 -0.001 0.000 0.218 140 A C 2.101 179.732 177.584 0.079 0.000 1.169 140 A CA 1.753 53.763 52.037 -0.045 0.000 0.635 140 A CB -0.891 18.053 19.000 -0.093 0.000 0.810 140 A HN 0.691 nan 8.150 nan 0.000 0.445 141 H N -2.782 116.286 119.070 -0.004 0.000 2.363 141 H HA -0.094 4.461 4.556 -0.001 0.000 0.301 141 H C 1.835 177.266 175.328 0.171 0.000 1.074 141 H CA 1.225 57.310 56.048 0.061 0.000 1.354 141 H CB -0.105 29.689 29.762 0.052 0.000 1.397 141 H HN 0.520 nan 8.280 nan 0.000 0.516 142 Y N 0.429 120.839 120.300 0.184 0.000 2.315 142 Y HA -0.168 4.381 4.550 -0.001 0.000 0.288 142 Y C 2.443 178.390 175.900 0.079 0.000 1.154 142 Y CA 0.412 58.578 58.100 0.109 0.000 1.229 142 Y CB -0.628 37.886 38.460 0.089 0.000 0.980 142 Y HN 0.065 nan 8.280 nan 0.000 0.540 143 V N -0.456 119.600 119.914 0.237 0.000 2.788 143 V HA -0.104 4.015 4.120 -0.001 0.000 0.251 143 V C 1.415 177.576 176.094 0.112 0.000 1.068 143 V CA 0.860 63.247 62.300 0.144 0.000 1.090 143 V CB -0.824 31.064 31.823 0.108 0.000 0.710 143 V HN 0.382 nan 8.190 nan 0.000 0.467 144 S N 0.570 116.345 115.700 0.125 0.000 2.633 144 S HA 0.101 4.570 4.470 -0.001 0.000 0.257 144 S C 0.144 174.780 174.600 0.061 0.000 1.265 144 S CA -0.121 58.131 58.200 0.086 0.000 0.980 144 S CB 0.562 63.816 63.200 0.090 0.000 1.017 144 S HN 0.342 nan 8.310 nan 0.000 0.577 145 D N 0.156 120.573 120.400 0.029 0.000 2.643 145 D HA 0.258 4.897 4.640 -0.001 0.000 0.244 145 D C -0.739 175.552 176.300 -0.015 0.000 1.257 145 D CA -0.130 53.876 54.000 0.009 0.000 0.831 145 D CB 0.183 40.985 40.800 0.002 0.000 1.043 145 D HN 0.389 nan 8.370 nan 0.000 0.488 146 E N 1.416 121.602 120.200 -0.024 0.000 2.136 146 E HA 0.104 4.454 4.350 -0.001 0.000 0.246 146 E C -1.577 174.995 176.600 -0.047 0.000 1.017 146 E CA -1.804 54.552 56.400 -0.072 0.000 0.883 146 E CB 1.251 30.860 29.700 -0.152 0.000 1.199 146 E HN 0.202 nan 8.360 nan 0.000 0.447 147 P HA -0.206 nan 4.420 nan 0.000 0.216 147 P C 1.430 178.735 177.300 0.008 0.000 1.157 147 P CA 1.143 64.237 63.100 -0.010 0.000 0.880 147 P CB 0.413 32.099 31.700 -0.024 0.000 0.791 148 L N -0.869 120.358 121.223 0.007 0.000 2.156 148 L HA -0.066 4.274 4.340 -0.001 0.000 0.208 148 L C 2.706 179.617 176.870 0.068 0.000 1.095 148 L CA 1.417 56.320 54.840 0.104 0.000 0.770 148 L CB -0.781 41.354 42.059 0.126 0.000 0.914 148 L HN -0.005 nan 8.230 nan 0.000 0.439 149 K N 0.403 120.764 120.400 -0.065 0.000 2.097 149 K HA -0.130 4.189 4.320 -0.001 0.000 0.205 149 K C 2.104 178.695 176.600 -0.015 0.000 1.050 149 K CA 0.988 57.195 56.287 -0.133 0.000 0.938 149 K CB 0.022 32.231 32.500 -0.485 0.000 0.718 149 K HN 0.259 nan 8.250 nan 0.000 0.442 150 K N 1.052 121.482 120.400 0.049 0.000 2.057 150 K HA -0.143 4.176 4.320 -0.001 0.000 0.207 150 K C 1.975 178.679 176.600 0.174 0.000 1.049 150 K CA 1.308 57.723 56.287 0.214 0.000 0.931 150 K CB -0.002 32.615 32.500 0.195 0.000 0.714 150 K HN 0.088 nan 8.250 nan 0.000 0.440 151 K N 0.685 121.117 120.400 0.054 0.000 2.097 151 K HA -0.049 4.270 4.320 -0.001 0.000 0.205 151 K C 2.117 178.613 176.600 -0.173 0.000 1.050 151 K CA 0.995 57.271 56.287 -0.018 0.000 0.938 151 K CB -0.068 32.442 32.500 0.017 0.000 0.718 151 K HN 0.104 nan 8.250 nan 0.000 0.442 152 I N 1.000 121.394 120.570 -0.293 0.000 2.179 152 I HA -0.283 3.886 4.170 -0.001 0.000 0.242 152 I C 2.527 178.363 176.117 -0.467 0.000 1.088 152 I CA 1.125 62.083 61.300 -0.570 0.000 1.357 152 I CB -0.416 37.326 38.000 -0.429 0.000 1.051 152 I HN 0.139 nan 8.210 nan 0.000 0.409 153 A N 0.926 123.717 122.820 -0.049 0.000 1.883 153 A HA -0.256 4.064 4.320 -0.001 0.000 0.217 153 A C 2.510 180.228 177.584 0.222 0.000 1.186 153 A CA 2.476 54.620 52.037 0.179 0.000 0.624 153 A CB -0.968 18.222 19.000 0.316 0.000 0.822 153 A HN 0.541 nan 8.150 nan 0.000 0.444 154 S N -0.542 115.327 115.700 0.281 0.000 2.402 154 S HA -0.095 4.375 4.470 -0.001 0.000 0.229 154 S C 1.702 176.419 174.600 0.195 0.000 1.021 154 S CA 1.369 59.755 58.200 0.311 0.000 0.974 154 S CB -0.794 62.544 63.200 0.230 0.000 0.800 154 S HN 0.247 nan 8.310 nan 0.000 0.484 155 V N 0.820 120.769 119.914 0.058 0.000 2.427 155 V HA -0.045 4.075 4.120 -0.001 0.000 0.248 155 V C 2.271 178.506 176.094 0.236 0.000 1.051 155 V CA 1.433 63.770 62.300 0.062 0.000 1.048 155 V CB -1.000 30.748 31.823 -0.124 0.000 0.666 155 V HN 0.392 nan 8.190 nan 0.000 0.456 156 F N -0.376 119.662 119.950 0.147 0.000 2.186 156 F HA -0.074 4.453 4.527 -0.001 0.000 0.299 156 F C 2.082 178.051 175.800 0.280 0.000 1.090 156 F CA 0.939 59.062 58.000 0.206 0.000 1.307 156 F CB -1.044 38.053 39.000 0.162 0.000 1.019 156 F HN 0.150 nan 8.300 nan 0.000 0.489 157 L N 0.209 121.692 121.223 0.434 0.000 2.141 157 L HA -0.139 4.200 4.340 -0.001 0.000 0.209 157 L C 1.899 178.983 176.870 0.356 0.000 1.094 157 L CA 1.892 56.944 54.840 0.353 0.000 0.763 157 L CB -0.723 41.522 42.059 0.310 0.000 0.908 157 L HN 0.145 nan 8.230 nan 0.000 0.437 158 E N -1.559 118.834 120.200 0.322 0.000 2.099 158 E HA 0.012 4.361 4.350 -0.001 0.000 0.191 158 E C 1.963 178.847 176.600 0.474 0.000 0.962 158 E CA 0.865 57.448 56.400 0.306 0.000 0.826 158 E CB 0.097 29.952 29.700 0.259 0.000 0.788 158 E HN 0.347 nan 8.360 nan 0.000 0.461 159 S N -0.076 115.859 115.700 0.392 0.000 2.528 159 S HA 0.047 4.516 4.470 -0.001 0.000 0.219 159 S C 0.837 175.577 174.600 0.234 0.000 0.985 159 S CA 0.275 58.625 58.200 0.250 0.000 0.914 159 S CB 0.173 63.449 63.200 0.126 0.000 0.776 159 S HN 0.198 nan 8.310 nan 0.000 0.526 160 F N 1.159 121.221 119.950 0.188 0.000 2.444 160 F HA 0.386 4.912 4.527 -0.001 0.000 0.263 160 F C 1.381 177.262 175.800 0.135 0.000 0.912 160 F CA 0.018 58.075 58.000 0.095 0.000 1.122 160 F CB -0.721 38.303 39.000 0.039 0.000 1.246 160 F HN -0.058 nan 8.300 nan 0.000 0.752 161 L N -0.183 120.956 121.223 -0.141 0.000 2.013 161 L HA -0.256 4.084 4.340 -0.001 0.000 0.212 161 L C 2.401 179.182 176.870 -0.149 0.000 1.073 161 L CA 1.766 56.440 54.840 -0.276 0.000 0.753 161 L CB -0.853 41.213 42.059 0.012 0.000 0.890 161 L HN 0.204 nan 8.230 nan 0.000 0.432 162 F N -0.501 119.384 119.950 -0.107 0.000 2.039 162 F HA -0.216 4.311 4.527 -0.001 0.000 0.294 162 F C 2.500 177.984 175.800 -0.526 0.000 1.130 162 F CA 1.468 59.305 58.000 -0.273 0.000 1.189 162 F CB -0.851 38.045 39.000 -0.174 0.000 0.983 162 F HN -0.119 nan 8.300 nan 0.000 0.471 163 Y N 0.116 120.285 120.300 -0.219 0.000 2.228 163 Y HA -0.284 4.265 4.550 -0.001 0.000 0.285 163 Y C 2.659 178.608 175.900 0.082 0.000 1.178 163 Y CA 1.585 59.627 58.100 -0.096 0.000 1.202 163 Y CB -1.522 37.000 38.460 0.104 0.000 0.974 163 Y HN -0.031 nan 8.280 nan 0.000 0.527 164 S N -0.770 114.969 115.700 0.064 0.000 2.465 164 S HA -0.150 4.320 4.470 -0.001 0.000 0.241 164 S C 2.230 176.946 174.600 0.195 0.000 1.000 164 S CA 1.088 59.366 58.200 0.130 0.000 0.964 164 S CB -0.578 62.488 63.200 -0.222 0.000 0.763 164 S HN 0.682 nan 8.310 nan 0.000 0.512 165 G N -0.373 108.443 108.800 0.025 0.000 2.719 165 G HA2 0.096 4.056 3.960 -0.001 0.000 0.211 165 G HA3 0.096 4.056 3.960 -0.001 0.000 0.211 165 G C 0.755 175.861 174.900 0.342 0.000 1.140 165 G CA -0.187 44.996 45.100 0.137 0.000 0.790 165 G HN 0.442 nan 8.290 nan 0.000 0.529 166 F N -0.093 120.009 119.950 0.252 0.000 2.641 166 F HA 0.156 4.683 4.527 -0.001 0.000 0.298 166 F C 1.929 177.792 175.800 0.106 0.000 1.146 166 F CA -1.194 56.921 58.000 0.191 0.000 1.464 166 F CB -0.659 38.441 39.000 0.167 0.000 1.101 166 F HN 0.346 nan 8.300 nan 0.000 0.585 167 W N 0.964 122.294 121.300 0.050 0.000 2.315 167 W HA -0.268 4.392 4.660 -0.001 0.000 0.323 167 W C 2.335 178.688 176.519 -0.276 0.000 1.233 167 W CA 1.900 58.999 57.345 -0.410 0.000 1.267 167 W CB -0.863 28.178 29.460 -0.698 0.000 1.160 167 W HN 0.042 nan 8.180 nan 0.000 0.474 168 L N 1.659 122.676 121.223 -0.344 0.000 1.978 168 L HA -0.189 4.150 4.340 -0.001 0.000 0.218 168 L C -0.571 175.782 176.870 -0.861 0.000 1.075 168 L CA 2.950 57.325 54.840 -0.774 0.000 0.767 168 L CB -2.076 39.764 42.059 -0.365 0.000 0.890 168 L HN -0.102 nan 8.230 nan 0.000 0.434 169 P HA -0.165 nan 4.420 nan 0.000 0.216 169 P C 1.782 178.947 177.300 -0.224 0.000 1.150 169 P CA 1.547 64.540 63.100 -0.179 0.000 0.843 169 P CB -0.134 31.631 31.700 0.108 0.000 0.787 170 M N -2.942 116.495 119.600 -0.271 0.000 2.394 170 M HA -0.087 4.393 4.480 -0.001 0.000 0.264 170 M C 1.971 178.094 176.300 -0.296 0.000 1.073 170 M CA 1.245 56.408 55.300 -0.228 0.000 1.111 170 M CB -1.515 30.990 32.600 -0.159 0.000 1.401 170 M HN 0.023 nan 8.290 nan 0.000 0.448 171 Y N 0.944 120.824 120.300 -0.700 0.000 2.184 171 Y HA -0.154 4.395 4.550 -0.001 0.000 0.290 171 Y C 1.960 177.681 175.900 -0.298 0.000 1.129 171 Y CA 1.288 58.978 58.100 -0.683 0.000 1.144 171 Y CB -0.526 37.211 38.460 -1.204 0.000 0.995 171 Y HN 0.003 nan 8.280 nan 0.000 0.513 172 F N -0.147 119.521 119.950 -0.471 0.000 2.202 172 F HA -0.208 4.319 4.527 -0.001 0.000 0.301 172 F C 2.998 178.604 175.800 -0.324 0.000 1.082 172 F CA 1.356 59.104 58.000 -0.419 0.000 1.313 172 F CB -1.652 37.214 39.000 -0.223 0.000 1.024 172 F HN 0.166 nan 8.300 nan 0.000 0.495 173 S N 0.003 115.662 115.700 -0.068 0.000 2.348 173 S HA -0.193 4.277 4.470 -0.001 0.000 0.221 173 S C 2.466 176.993 174.600 -0.122 0.000 1.033 173 S CA 1.923 60.072 58.200 -0.085 0.000 1.010 173 S CB -0.621 62.527 63.200 -0.087 0.000 0.891 173 S HN 0.494 nan 8.310 nan 0.000 0.442 174 S N 2.163 117.766 115.700 -0.161 0.000 2.359 174 S HA -0.099 4.371 4.470 -0.001 0.000 0.224 174 S C 2.087 176.579 174.600 -0.180 0.000 1.035 174 S CA 0.728 58.842 58.200 -0.144 0.000 1.018 174 S CB -0.694 62.436 63.200 -0.117 0.000 0.876 174 S HN 0.443 nan 8.310 nan 0.000 0.448 175 R N 1.704 122.017 120.500 -0.312 0.000 2.082 175 R HA 0.040 4.379 4.340 -0.001 0.000 0.234 175 R C 2.207 178.399 176.300 -0.180 0.000 1.136 175 R CA 1.668 57.591 56.100 -0.295 0.000 0.935 175 R CB -1.457 28.569 30.300 -0.456 0.000 0.842 175 R HN 0.716 nan 8.270 nan 0.000 0.430 176 G N -0.679 108.022 108.800 -0.165 0.000 3.254 176 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.219 176 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.219 176 G C -0.220 174.612 174.900 -0.114 0.000 0.964 176 G CA -0.535 44.495 45.100 -0.118 0.000 0.823 176 G HN 0.153 nan 8.290 nan 0.000 0.579 177 K N 0.691 120.999 120.400 -0.153 0.000 2.118 177 K HA 0.653 4.973 4.320 -0.001 0.000 0.264 177 K C 0.806 177.367 176.600 -0.065 0.000 1.000 177 K CA -0.605 55.576 56.287 -0.177 0.000 0.929 177 K CB 1.078 33.326 32.500 -0.419 0.000 1.021 177 K HN 0.298 nan 8.250 nan 0.000 0.463 178 L N 1.750 122.957 121.223 -0.026 0.000 3.795 178 L HA -0.280 4.060 4.340 -0.001 0.000 0.489 178 L C 1.262 178.162 176.870 0.051 0.000 1.259 178 L CA 0.198 55.083 54.840 0.075 0.000 0.765 178 L CB -1.722 40.466 42.059 0.214 0.000 1.519 178 L HN 0.906 nan 8.230 nan 0.000 0.842 179 T N -1.259 113.295 114.554 0.000 0.000 2.951 179 T HA -0.046 4.304 4.350 -0.001 0.000 0.268 179 T C 1.591 176.266 174.700 -0.043 0.000 1.073 179 T CA 1.796 63.880 62.100 -0.027 0.000 1.134 179 T CB 0.047 68.890 68.868 -0.041 0.000 0.884 179 T HN 0.566 nan 8.240 nan 0.000 0.479 180 N N 0.443 119.122 118.700 -0.035 0.000 2.250 180 N HA -0.019 4.721 4.740 -0.001 0.000 0.181 180 N C 1.938 177.401 175.510 -0.078 0.000 1.017 180 N CA 1.372 54.385 53.050 -0.061 0.000 0.866 180 N CB -0.503 37.954 38.487 -0.049 0.000 0.985 180 N HN 0.379 nan 8.380 nan 0.000 0.429 181 T N 1.299 115.835 114.554 -0.031 0.000 2.833 181 T HA -0.025 4.324 4.350 -0.001 0.000 0.269 181 T C 2.012 176.660 174.700 -0.087 0.000 1.054 181 T CA 1.120 63.200 62.100 -0.034 0.000 1.135 181 T CB -0.154 68.773 68.868 0.099 0.000 0.869 181 T HN 0.296 nan 8.240 nan 0.000 0.466 182 A N 1.883 124.665 122.820 -0.062 0.000 1.930 182 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 182 A C 2.122 179.597 177.584 -0.181 0.000 1.175 182 A CA 1.460 53.433 52.037 -0.106 0.000 0.627 182 A CB -0.467 18.490 19.000 -0.073 0.000 0.815 182 A HN 0.358 nan 8.150 nan 0.000 0.443 183 D N -0.238 120.054 120.400 -0.180 0.000 2.117 183 D HA -0.125 4.514 4.640 -0.001 0.000 0.198 183 D C 1.964 178.052 176.300 -0.354 0.000 0.982 183 D CA 1.204 55.065 54.000 -0.232 0.000 0.828 183 D CB -0.292 40.392 40.800 -0.194 0.000 0.967 183 D HN 0.474 nan 8.370 nan 0.000 0.464 184 L N 0.856 121.864 121.223 -0.358 0.000 1.994 184 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 184 L C 2.248 178.763 176.870 -0.592 0.000 1.071 184 L CA 1.046 55.583 54.840 -0.506 0.000 0.745 184 L CB -0.145 41.697 42.059 -0.361 0.000 0.892 184 L HN -0.079 nan 8.230 nan 0.000 0.431 185 I N 0.060 120.342 120.570 -0.480 0.000 2.315 185 I HA -0.307 3.862 4.170 -0.001 0.000 0.251 185 I C 2.690 178.438 176.117 -0.615 0.000 1.125 185 I CA 1.356 62.295 61.300 -0.602 0.000 1.392 185 I CB -1.288 36.397 38.000 -0.524 0.000 1.065 185 I HN 0.350 nan 8.210 nan 0.000 0.424 186 R N 0.672 120.895 120.500 -0.461 0.000 2.096 186 R HA -0.090 4.250 4.340 -0.001 0.000 0.235 186 R C 2.335 178.381 176.300 -0.425 0.000 1.127 186 R CA 1.088 56.968 56.100 -0.367 0.000 0.968 186 R CB -0.320 29.813 30.300 -0.278 0.000 0.861 186 R HN 0.311 nan 8.270 nan 0.000 0.440 187 L N -0.384 120.464 121.223 -0.625 0.000 2.056 187 L HA -0.138 4.202 4.340 -0.001 0.000 0.207 187 L C 2.169 178.706 176.870 -0.555 0.000 1.078 187 L CA 1.165 55.506 54.840 -0.832 0.000 0.749 187 L CB -0.361 40.655 42.059 -1.738 0.000 0.901 187 L HN 0.208 nan 8.230 nan 0.000 0.433 188 I N -0.210 120.027 120.570 -0.555 0.000 2.315 188 I HA -0.289 3.880 4.170 -0.001 0.000 0.248 188 I C 2.384 178.304 176.117 -0.329 0.000 1.117 188 I CA 1.430 62.453 61.300 -0.462 0.000 1.404 188 I CB -0.137 37.528 38.000 -0.559 0.000 1.071 188 I HN 0.202 nan 8.210 nan 0.000 0.419 189 I N 0.324 120.689 120.570 -0.341 0.000 2.315 189 I HA -0.256 3.914 4.170 -0.001 0.000 0.248 189 I C 2.727 178.812 176.117 -0.052 0.000 1.117 189 I CA 1.008 62.203 61.300 -0.175 0.000 1.404 189 I CB -0.374 37.520 38.000 -0.177 0.000 1.071 189 I HN 0.181 nan 8.210 nan 0.000 0.419 190 R N 0.882 121.321 120.500 -0.100 0.000 2.152 190 R HA -0.188 4.151 4.340 -0.001 0.000 0.232 190 R C 1.548 177.840 176.300 -0.013 0.000 1.117 190 R CA 1.659 57.734 56.100 -0.042 0.000 0.981 190 R CB -0.030 30.219 30.300 -0.086 0.000 0.870 190 R HN 0.328 nan 8.270 nan 0.000 0.451 191 D N -0.120 120.260 120.400 -0.034 0.000 2.144 191 D HA -0.114 4.526 4.640 -0.001 0.000 0.207 191 D C 1.673 177.719 176.300 -0.423 0.000 0.970 191 D CA 0.886 54.801 54.000 -0.142 0.000 0.853 191 D CB -0.233 40.614 40.800 0.079 0.000 1.007 191 D HN 0.136 nan 8.370 nan 0.000 0.469 192 E N 1.051 121.132 120.200 -0.199 0.000 2.130 192 E HA -0.154 4.196 4.350 -0.001 0.000 0.196 192 E C 1.876 178.599 176.600 0.205 0.000 0.998 192 E CA 1.381 57.772 56.400 -0.014 0.000 0.806 192 E CB -0.255 29.513 29.700 0.113 0.000 0.738 192 E HN 0.195 nan 8.360 nan 0.000 0.459 193 A N -0.364 122.603 122.820 0.246 0.000 1.933 193 A HA -0.136 4.183 4.320 -0.001 0.000 0.218 193 A C 2.411 180.151 177.584 0.260 0.000 1.175 193 A CA 1.586 53.802 52.037 0.298 0.000 0.628 193 A CB -0.471 18.675 19.000 0.244 0.000 0.814 193 A HN 0.196 nan 8.150 nan 0.000 0.444 194 V N -0.575 119.461 119.914 0.203 0.000 2.488 194 V HA -0.221 3.898 4.120 -0.001 0.000 0.246 194 V C 2.186 178.552 176.094 0.453 0.000 1.046 194 V CA 1.898 64.381 62.300 0.306 0.000 1.053 194 V CB -1.240 30.710 31.823 0.213 0.000 0.679 194 V HN 0.721 nan 8.190 nan 0.000 0.458 195 H N 0.376 119.612 119.070 0.276 0.000 2.319 195 H HA -0.139 4.417 4.556 -0.001 0.000 0.299 195 H C 2.411 177.896 175.328 0.263 0.000 1.092 195 H CA 1.118 57.322 56.048 0.261 0.000 1.302 195 H CB -0.266 29.618 29.762 0.202 0.000 1.373 195 H HN 0.508 nan 8.280 nan 0.000 0.497 196 G N 0.030 109.065 108.800 0.392 0.000 2.402 196 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.216 196 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.216 196 G C 1.534 176.591 174.900 0.262 0.000 1.162 196 G CA 0.783 46.052 45.100 0.282 0.000 0.777 196 G HN 0.433 nan 8.290 nan 0.000 0.539 197 Y N 0.350 120.778 120.300 0.214 0.000 2.097 197 Y HA -0.214 4.336 4.550 -0.001 0.000 0.282 197 Y C 2.449 178.517 175.900 0.280 0.000 1.152 197 Y CA 1.666 59.887 58.100 0.202 0.000 1.136 197 Y CB -0.721 37.844 38.460 0.176 0.000 0.975 197 Y HN 0.226 nan 8.280 nan 0.000 0.498 198 Y N 0.541 120.792 120.300 -0.082 0.000 2.114 198 Y HA -0.230 4.319 4.550 -0.001 0.000 0.284 198 Y C 2.316 178.223 175.900 0.012 0.000 1.143 198 Y CA 2.058 60.084 58.100 -0.123 0.000 1.135 198 Y CB -0.747 37.771 38.460 0.096 0.000 0.980 198 Y HN 0.206 nan 8.280 nan 0.000 0.499 199 I N -0.347 120.237 120.570 0.024 0.000 2.361 199 I HA -0.237 3.933 4.170 -0.001 0.000 0.251 199 I C 2.561 178.638 176.117 -0.066 0.000 1.133 199 I CA 1.340 62.590 61.300 -0.083 0.000 1.413 199 I CB -0.940 37.070 38.000 0.017 0.000 1.073 199 I HN 0.365 nan 8.210 nan 0.000 0.424 200 G N 0.006 108.791 108.800 -0.024 0.000 2.422 200 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.218 200 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.218 200 G C 1.591 176.480 174.900 -0.018 0.000 1.140 200 G CA 0.457 45.545 45.100 -0.020 0.000 0.775 200 G HN 0.375 nan 8.290 nan 0.000 0.545 201 Y N 1.632 121.789 120.300 -0.237 0.000 2.145 201 Y HA -0.047 4.502 4.550 -0.001 0.000 0.286 201 Y C 2.611 178.382 175.900 -0.215 0.000 1.145 201 Y CA 1.889 59.827 58.100 -0.270 0.000 1.148 201 Y CB 0.033 38.228 38.460 -0.441 0.000 0.981 201 Y HN -0.025 nan 8.280 nan 0.000 0.507 202 K N -0.415 119.769 120.400 -0.360 0.000 2.148 202 K HA -0.211 4.109 4.320 -0.001 0.000 0.204 202 K C 1.983 178.418 176.600 -0.274 0.000 1.050 202 K CA 1.470 57.520 56.287 -0.396 0.000 0.942 202 K CB -1.012 31.289 32.500 -0.332 0.000 0.724 202 K HN 0.526 nan 8.250 nan 0.000 0.446 203 Y N 2.425 122.554 120.300 -0.285 0.000 2.145 203 Y HA -0.216 4.334 4.550 -0.001 0.000 0.286 203 Y C 2.165 177.923 175.900 -0.237 0.000 1.145 203 Y CA 1.681 59.646 58.100 -0.224 0.000 1.148 203 Y CB -0.250 38.089 38.460 -0.202 0.000 0.981 203 Y HN 0.106 nan 8.280 nan 0.000 0.507 204 Q N -0.387 119.197 119.800 -0.361 0.000 2.170 204 Q HA -0.165 4.174 4.340 -0.001 0.000 0.203 204 Q C 2.108 177.864 176.000 -0.407 0.000 0.976 204 Q CA 1.463 57.016 55.803 -0.416 0.000 0.858 204 Q CB -0.074 28.514 28.738 -0.250 0.000 0.907 204 Q HN 0.471 nan 8.270 nan 0.000 0.433 205 I N 0.578 120.881 120.570 -0.446 0.000 2.252 205 I HA -0.210 3.960 4.170 -0.001 0.000 0.245 205 I C 2.300 178.240 176.117 -0.294 0.000 1.102 205 I CA 1.240 62.316 61.300 -0.374 0.000 1.385 205 I CB -1.395 36.355 38.000 -0.416 0.000 1.064 205 I HN 0.123 nan 8.210 nan 0.000 0.414 206 A N 0.733 123.363 122.820 -0.317 0.000 1.969 206 A HA -0.124 4.195 4.320 -0.001 0.000 0.218 206 A C 2.416 179.829 177.584 -0.286 0.000 1.169 206 A CA 1.015 52.892 52.037 -0.266 0.000 0.635 206 A CB -0.670 18.184 19.000 -0.242 0.000 0.810 206 A HN 0.367 nan 8.150 nan 0.000 0.445 207 L N -0.507 120.475 121.223 -0.401 0.000 2.017 207 L HA -0.225 4.114 4.340 -0.001 0.000 0.208 207 L C 2.767 179.516 176.870 -0.203 0.000 1.073 207 L CA 1.228 55.863 54.840 -0.340 0.000 0.745 207 L CB -0.554 41.249 42.059 -0.425 0.000 0.894 207 L HN 0.421 nan 8.230 nan 0.000 0.432 208 Q N 0.461 120.148 119.800 -0.189 0.000 2.248 208 Q HA -0.226 4.114 4.340 -0.001 0.000 0.208 208 Q C 1.842 177.779 176.000 -0.106 0.000 0.984 208 Q CA 1.418 57.144 55.803 -0.127 0.000 0.875 208 Q CB -0.369 28.296 28.738 -0.121 0.000 0.910 208 Q HN 0.545 nan 8.270 nan 0.000 0.433 209 K N -0.036 120.292 120.400 -0.120 0.000 2.459 209 K HA 0.149 4.469 4.320 -0.001 0.000 0.193 209 K C 0.691 177.241 176.600 -0.084 0.000 1.030 209 K CA 0.016 56.246 56.287 -0.095 0.000 1.026 209 K CB 0.272 32.712 32.500 -0.100 0.000 0.809 209 K HN 0.101 nan 8.250 nan 0.000 0.504 210 L N 0.897 122.065 121.223 -0.092 0.000 2.431 210 L HA 0.173 4.513 4.340 -0.001 0.000 0.260 210 L C 0.750 177.586 176.870 -0.056 0.000 1.098 210 L CA -0.861 53.935 54.840 -0.074 0.000 0.800 210 L CB 1.192 43.201 42.059 -0.083 0.000 1.210 210 L HN 0.024 nan 8.230 nan 0.000 0.465 211 S N 0.081 115.754 115.700 -0.044 0.000 2.593 211 S HA 0.255 4.724 4.470 -0.001 0.000 0.269 211 S C 1.012 175.595 174.600 -0.028 0.000 1.334 211 S CA -0.140 58.040 58.200 -0.033 0.000 1.015 211 S CB 1.415 64.599 63.200 -0.028 0.000 0.912 211 S HN 0.699 nan 8.310 nan 0.000 0.541 212 A N 1.444 124.250 122.820 -0.022 0.000 1.940 212 A HA -0.082 4.237 4.320 -0.001 0.000 0.219 212 A C 1.981 179.559 177.584 -0.010 0.000 1.176 212 A CA 1.584 53.612 52.037 -0.015 0.000 0.631 212 A CB -0.933 18.059 19.000 -0.013 0.000 0.814 212 A HN 0.897 nan 8.150 nan 0.000 0.446 213 I N -0.034 120.529 120.570 -0.012 0.000 2.353 213 I HA -0.143 4.027 4.170 -0.001 0.000 0.248 213 I C 2.082 178.195 176.117 -0.006 0.000 1.119 213 I CA 1.613 62.908 61.300 -0.009 0.000 1.417 213 I CB -0.357 37.637 38.000 -0.010 0.000 1.078 213 I HN 0.436 nan 8.210 nan 0.000 0.421 214 E N -0.123 120.069 120.200 -0.013 0.000 2.106 214 E HA -0.191 4.159 4.350 -0.001 0.000 0.192 214 E C 2.302 178.903 176.600 0.001 0.000 0.984 214 E CA 0.783 57.175 56.400 -0.014 0.000 0.806 214 E CB -0.094 29.588 29.700 -0.030 0.000 0.750 214 E HN 0.453 nan 8.360 nan 0.000 0.458 215 R N 0.666 121.166 120.500 0.000 0.000 2.081 215 R HA -0.112 4.228 4.340 -0.001 0.000 0.235 215 R C 2.125 178.457 176.300 0.054 0.000 1.131 215 R CA 0.905 57.021 56.100 0.026 0.000 0.960 215 R CB -0.058 30.249 30.300 0.013 0.000 0.856 215 R HN 0.124 nan 8.270 nan 0.000 0.436 216 E N 0.691 120.906 120.200 0.025 0.000 2.106 216 E HA -0.209 4.141 4.350 -0.001 0.000 0.192 216 E C 1.790 178.405 176.600 0.025 0.000 0.984 216 E CA 0.948 57.356 56.400 0.013 0.000 0.806 216 E CB -0.061 29.639 29.700 -0.000 0.000 0.750 216 E HN 0.432 nan 8.360 nan 0.000 0.458 217 E N 0.394 120.613 120.200 0.032 0.000 2.038 217 E HA -0.181 4.169 4.350 -0.001 0.000 0.195 217 E C 2.068 178.729 176.600 0.101 0.000 1.000 217 E CA 0.777 57.206 56.400 0.047 0.000 0.803 217 E CB 0.090 29.803 29.700 0.020 0.000 0.750 217 E HN 0.067 nan 8.360 nan 0.000 0.448 218 L N 1.156 122.447 121.223 0.114 0.000 2.046 218 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 218 L C 2.554 179.588 176.870 0.273 0.000 1.077 218 L CA 1.729 56.699 54.840 0.216 0.000 0.747 218 L CB -1.183 41.015 42.059 0.232 0.000 0.896 218 L HN 0.224 nan 8.230 nan 0.000 0.432 219 K N -0.139 120.358 120.400 0.160 0.000 2.103 219 K HA -0.236 4.083 4.320 -0.001 0.000 0.207 219 K C 2.164 178.700 176.600 -0.106 0.000 1.048 219 K CA 1.286 57.527 56.287 -0.076 0.000 0.930 219 K CB -0.022 32.366 32.500 -0.187 0.000 0.716 219 K HN 0.076 nan 8.250 nan 0.000 0.444 220 L N 0.465 121.687 121.223 -0.002 0.000 2.044 220 L HA -0.032 4.308 4.340 -0.001 0.000 0.205 220 L C 2.001 178.903 176.870 0.054 0.000 1.075 220 L CA 1.401 56.239 54.840 -0.004 0.000 0.747 220 L CB -0.762 41.307 42.059 0.017 0.000 0.903 220 L HN 0.229 nan 8.230 nan 0.000 0.435 221 F N 0.494 120.449 119.950 0.009 0.000 2.154 221 F HA -0.267 4.259 4.527 -0.001 0.000 0.301 221 F C 2.197 178.046 175.800 0.082 0.000 1.087 221 F CA 1.573 59.596 58.000 0.038 0.000 1.274 221 F CB -0.570 38.449 39.000 0.032 0.000 1.009 221 F HN 0.150 nan 8.300 nan 0.000 0.485 222 A N 0.856 123.714 122.820 0.063 0.000 1.858 222 A HA -0.148 4.172 4.320 -0.001 0.000 0.216 222 A C 2.301 179.925 177.584 0.066 0.000 1.190 222 A CA 1.928 54.021 52.037 0.093 0.000 0.617 222 A CB -1.224 17.931 19.000 0.259 0.000 0.827 222 A HN 0.494 nan 8.150 nan 0.000 0.443 223 L N -0.340 120.861 121.223 -0.037 0.000 2.083 223 L HA -0.187 4.153 4.340 -0.001 0.000 0.209 223 L C 1.956 178.741 176.870 -0.142 0.000 1.083 223 L CA 1.404 56.182 54.840 -0.102 0.000 0.752 223 L CB -0.738 41.241 42.059 -0.134 0.000 0.899 223 L HN 0.369 nan 8.230 nan 0.000 0.433 224 D N 0.074 120.381 120.400 -0.155 0.000 2.178 224 D HA -0.155 4.484 4.640 -0.001 0.000 0.202 224 D C 2.116 178.300 176.300 -0.194 0.000 0.974 224 D CA 1.080 54.987 54.000 -0.155 0.000 0.841 224 D CB 0.098 40.822 40.800 -0.126 0.000 0.953 224 D HN 0.222 nan 8.370 nan 0.000 0.478 225 L N 0.601 121.651 121.223 -0.290 0.000 2.162 225 L HA 0.002 4.342 4.340 -0.001 0.000 0.205 225 L C 1.999 178.771 176.870 -0.162 0.000 1.086 225 L CA 0.889 55.613 54.840 -0.192 0.000 0.778 225 L CB -0.466 41.476 42.059 -0.195 0.000 0.928 225 L HN -0.086 nan 8.230 nan 0.000 0.446 226 L N -0.669 120.370 121.223 -0.305 0.000 2.017 226 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 226 L C 2.275 178.948 176.870 -0.328 0.000 1.073 226 L CA 1.908 56.342 54.840 -0.678 0.000 0.745 226 L CB -0.590 41.016 42.059 -0.756 0.000 0.894 226 L HN 0.239 nan 8.230 nan 0.000 0.432 227 M N -0.715 118.773 119.600 -0.187 0.000 2.132 227 M HA -0.188 4.292 4.480 -0.001 0.000 0.263 227 M C 2.242 178.572 176.300 0.049 0.000 1.065 227 M CA 1.612 56.889 55.300 -0.039 0.000 1.122 227 M CB -1.413 31.148 32.600 -0.065 0.000 1.365 227 M HN 0.445 nan 8.290 nan 0.000 0.411 228 E N 0.607 120.800 120.200 -0.012 0.000 2.118 228 E HA -0.170 4.180 4.350 -0.001 0.000 0.195 228 E C 2.041 178.659 176.600 0.030 0.000 0.992 228 E CA 0.993 57.398 56.400 0.009 0.000 0.804 228 E CB 0.042 29.734 29.700 -0.014 0.000 0.741 228 E HN 0.480 nan 8.360 nan 0.000 0.458 229 L N -0.231 121.009 121.223 0.027 0.000 2.179 229 L HA -0.092 4.248 4.340 -0.001 0.000 0.208 229 L C 2.377 179.358 176.870 0.185 0.000 1.096 229 L CA 0.547 55.434 54.840 0.079 0.000 0.779 229 L CB -0.425 41.688 42.059 0.091 0.000 0.922 229 L HN 0.234 nan 8.230 nan 0.000 0.443 230 Y N 1.474 121.800 120.300 0.044 0.000 2.114 230 Y HA -0.277 4.273 4.550 -0.001 0.000 0.284 230 Y C 2.324 178.279 175.900 0.092 0.000 1.143 230 Y CA 1.770 59.935 58.100 0.108 0.000 1.135 230 Y CB -0.173 38.288 38.460 0.002 0.000 0.980 230 Y HN 0.203 nan 8.280 nan 0.000 0.499 231 D N -0.394 120.060 120.400 0.090 0.000 2.178 231 D HA -0.202 4.437 4.640 -0.001 0.000 0.202 231 D C 1.835 178.115 176.300 -0.033 0.000 0.974 231 D CA 1.185 55.176 54.000 -0.014 0.000 0.841 231 D CB -0.513 40.327 40.800 0.067 0.000 0.953 231 D HN 0.480 nan 8.370 nan 0.000 0.478 232 N N 1.123 119.823 118.700 0.001 0.000 2.331 232 N HA -0.170 4.570 4.740 -0.001 0.000 0.180 232 N C 1.619 177.127 175.510 -0.004 0.000 1.019 232 N CA 0.785 53.834 53.050 -0.001 0.000 0.881 232 N CB 0.308 38.790 38.487 -0.008 0.000 0.972 232 N HN 0.020 nan 8.380 nan 0.000 0.435 233 E N 0.685 120.869 120.200 -0.027 0.000 2.112 233 E HA 0.013 4.363 4.350 -0.001 0.000 0.190 233 E C 2.011 178.579 176.600 -0.054 0.000 0.979 233 E CA 0.510 56.886 56.400 -0.040 0.000 0.814 233 E CB -0.173 29.491 29.700 -0.059 0.000 0.762 233 E HN 0.244 nan 8.360 nan 0.000 0.460 234 I N 0.982 121.445 120.570 -0.177 0.000 2.226 234 I HA -0.240 3.929 4.170 -0.001 0.000 0.245 234 I C 2.176 178.255 176.117 -0.064 0.000 1.100 234 I CA 1.415 62.598 61.300 -0.194 0.000 1.374 234 I CB -0.894 36.945 38.000 -0.268 0.000 1.057 234 I HN 0.197 nan 8.210 nan 0.000 0.413 235 R N -0.776 119.716 120.500 -0.013 0.000 2.115 235 R HA -0.210 4.130 4.340 -0.001 0.000 0.230 235 R C 2.277 178.637 176.300 0.099 0.000 1.111 235 R CA 1.160 57.280 56.100 0.034 0.000 0.976 235 R CB -0.454 29.870 30.300 0.039 0.000 0.870 235 R HN 0.312 nan 8.270 nan 0.000 0.445 236 Y N 1.383 121.674 120.300 -0.016 0.000 2.220 236 Y HA -0.126 4.424 4.550 -0.001 0.000 0.291 236 Y C 2.184 178.127 175.900 0.072 0.000 1.129 236 Y CA 1.467 59.591 58.100 0.040 0.000 1.161 236 Y CB -0.104 38.366 38.460 0.017 0.000 0.997 236 Y HN -0.106 nan 8.280 nan 0.000 0.522 237 T N 0.153 114.743 114.554 0.060 0.000 2.770 237 T HA -0.150 4.200 4.350 -0.001 0.000 0.263 237 T C 1.574 176.258 174.700 -0.027 0.000 1.039 237 T CA 1.669 63.733 62.100 -0.061 0.000 1.142 237 T CB -0.214 68.543 68.868 -0.186 0.000 0.868 237 T HN 0.409 nan 8.240 nan 0.000 0.435 238 E N 1.084 121.267 120.200 -0.028 0.000 2.209 238 E HA -0.082 4.268 4.350 -0.001 0.000 0.196 238 E C 2.332 178.937 176.600 0.008 0.000 0.993 238 E CA 0.886 57.278 56.400 -0.014 0.000 0.819 238 E CB -0.149 29.540 29.700 -0.019 0.000 0.745 238 E HN 0.496 nan 8.360 nan 0.000 0.477 239 A N 1.213 124.039 122.820 0.010 0.000 1.843 239 A HA -0.053 4.267 4.320 -0.001 0.000 0.213 239 A C 2.164 179.742 177.584 -0.010 0.000 1.239 239 A CA 0.509 52.551 52.037 0.009 0.000 0.606 239 A CB -0.716 18.303 19.000 0.032 0.000 0.903 239 A HN 0.073 nan 8.150 nan 0.000 0.455 240 L N -1.623 119.576 121.223 -0.040 0.000 1.971 240 L HA -0.230 4.110 4.340 -0.001 0.000 0.215 240 L C 2.289 179.122 176.870 -0.062 0.000 1.072 240 L CA 1.570 56.345 54.840 -0.108 0.000 0.758 240 L CB -0.752 41.193 42.059 -0.190 0.000 0.889 240 L HN 0.514 nan 8.230 nan 0.000 0.433 241 Y N -0.235 120.014 120.300 -0.085 0.000 2.553 241 Y HA 0.081 4.631 4.550 -0.001 0.000 0.303 241 Y C 2.100 177.960 175.900 -0.066 0.000 1.194 241 Y CA -0.008 58.081 58.100 -0.018 0.000 1.305 241 Y CB -1.219 37.272 38.460 0.052 0.000 1.045 241 Y HN 0.123 nan 8.280 nan 0.000 0.514 242 A N 0.505 123.351 122.820 0.043 0.000 1.852 242 A HA -0.306 4.014 4.320 -0.001 0.000 0.217 242 A C 2.119 179.661 177.584 -0.070 0.000 1.215 242 A CA 2.215 54.241 52.037 -0.017 0.000 0.641 242 A CB -0.765 18.216 19.000 -0.031 0.000 0.838 242 A HN 0.501 nan 8.150 nan 0.000 0.450 243 E N -1.109 119.029 120.200 -0.104 0.000 1.998 243 E HA -0.265 4.084 4.350 -0.001 0.000 0.221 243 E C 2.206 178.667 176.600 -0.231 0.000 1.018 243 E CA 2.396 58.706 56.400 -0.150 0.000 0.891 243 E CB -0.832 28.773 29.700 -0.159 0.000 0.807 243 E HN 0.832 nan 8.360 nan 0.000 0.523 244 T N -1.467 112.892 114.554 -0.326 0.000 2.582 244 T HA -0.323 4.027 4.350 -0.001 0.000 0.246 244 T C 1.579 175.848 174.700 -0.718 0.000 1.236 244 T CA 2.170 63.868 62.100 -0.670 0.000 1.125 244 T CB -1.200 67.169 68.868 -0.832 0.000 0.837 244 T HN 0.812 nan 8.240 nan 0.000 0.458 245 G N -0.972 107.557 108.800 -0.452 0.000 2.181 245 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.152 245 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.152 245 G C 0.094 174.868 174.900 -0.209 0.000 1.026 245 G CA 0.216 45.131 45.100 -0.308 0.000 0.699 245 G HN 0.558 nan 8.290 nan 0.000 0.497 246 W N -0.283 121.043 121.300 0.043 0.000 2.870 246 W HA 0.320 4.980 4.660 -0.001 0.000 0.358 246 W C 1.567 177.970 176.519 -0.193 0.000 1.043 246 W CA 0.156 57.490 57.345 -0.019 0.000 1.692 246 W CB -0.514 29.060 29.460 0.191 0.000 1.100 246 W HN 0.143 nan 8.180 nan 0.000 0.557 247 V N 1.884 121.835 119.914 0.062 0.000 2.363 247 V HA -0.404 3.716 4.120 -0.001 0.000 0.254 247 V C 2.209 178.192 176.094 -0.185 0.000 1.074 247 V CA 2.162 64.403 62.300 -0.099 0.000 1.069 247 V CB -0.648 31.146 31.823 -0.048 0.000 0.659 247 V HN 0.202 nan 8.190 nan 0.000 0.455 248 N N 0.447 119.076 118.700 -0.119 0.000 2.142 248 N HA -0.164 4.576 4.740 -0.001 0.000 0.186 248 N C 1.508 176.889 175.510 -0.215 0.000 1.023 248 N CA 1.869 54.844 53.050 -0.124 0.000 0.852 248 N CB -0.444 38.006 38.487 -0.060 0.000 0.998 248 N HN 0.578 nan 8.380 nan 0.000 0.424 249 D N 0.646 120.862 120.400 -0.306 0.000 2.123 249 D HA -0.102 4.537 4.640 -0.001 0.000 0.196 249 D C 2.094 177.920 176.300 -0.789 0.000 0.992 249 D CA 0.721 54.391 54.000 -0.549 0.000 0.833 249 D CB -0.269 40.050 40.800 -0.801 0.000 0.954 249 D HN 0.037 nan 8.370 nan 0.000 0.455 250 V N 0.608 119.999 119.914 -0.872 0.000 2.358 250 V HA -0.202 3.917 4.120 -0.001 0.000 0.246 250 V C 2.120 178.004 176.094 -0.350 0.000 1.047 250 V CA 1.462 63.317 62.300 -0.743 0.000 1.035 250 V CB -0.432 30.857 31.823 -0.890 0.000 0.658 250 V HN 0.164 nan 8.190 nan 0.000 0.452 251 K N 0.528 120.756 120.400 -0.286 0.000 2.152 251 K HA -0.150 4.170 4.320 -0.001 0.000 0.206 251 K C 2.192 178.740 176.600 -0.086 0.000 1.048 251 K CA 1.514 57.702 56.287 -0.166 0.000 0.933 251 K CB -0.355 32.068 32.500 -0.128 0.000 0.721 251 K HN 0.499 nan 8.250 nan 0.000 0.447 252 A N 0.342 123.102 122.820 -0.100 0.000 2.016 252 A HA -0.083 4.236 4.320 -0.001 0.000 0.217 252 A C 1.836 179.444 177.584 0.040 0.000 1.162 252 A CA 0.683 52.701 52.037 -0.032 0.000 0.662 252 A CB -0.362 18.608 19.000 -0.049 0.000 0.812 252 A HN 0.256 nan 8.150 nan 0.000 0.450 253 F N 0.597 120.432 119.950 -0.191 0.000 2.187 253 F HA 0.022 4.549 4.527 -0.001 0.000 0.295 253 F C 1.890 177.712 175.800 0.037 0.000 1.091 253 F CA 0.887 58.831 58.000 -0.093 0.000 1.308 253 F CB -0.289 38.578 39.000 -0.222 0.000 1.030 253 F HN 0.110 nan 8.300 nan 0.000 0.487 254 L N -0.890 120.369 121.223 0.060 0.000 2.013 254 L HA -0.360 3.980 4.340 -0.001 0.000 0.212 254 L C 2.606 179.593 176.870 0.195 0.000 1.073 254 L CA 1.679 56.599 54.840 0.133 0.000 0.753 254 L CB -1.300 40.822 42.059 0.105 0.000 0.890 254 L HN 0.220 nan 8.230 nan 0.000 0.432 255 C N -1.528 117.723 119.300 -0.081 0.000 2.429 255 C HA -0.212 4.248 4.460 -0.001 0.000 0.277 255 C C 2.726 177.571 174.990 -0.242 0.000 1.262 255 C CA 0.309 59.009 59.018 -0.530 0.000 1.733 255 C CB -0.910 26.467 27.740 -0.604 0.000 2.010 255 C HN 0.523 nan 8.230 nan 0.000 0.483 256 Y N 2.939 123.119 120.300 -0.201 0.000 2.128 256 Y HA -0.186 4.363 4.550 -0.001 0.000 0.284 256 Y C 2.239 178.032 175.900 -0.178 0.000 1.154 256 Y CA 1.981 59.984 58.100 -0.163 0.000 1.149 256 Y CB -0.562 37.788 38.460 -0.182 0.000 0.976 256 Y HN 0.350 nan 8.280 nan 0.000 0.505 257 N N 0.045 118.628 118.700 -0.194 0.000 2.457 257 N HA -0.017 4.723 4.740 -0.001 0.000 0.180 257 N C 1.791 177.277 175.510 -0.040 0.000 1.050 257 N CA 0.931 53.855 53.050 -0.209 0.000 0.906 257 N CB -0.299 38.115 38.487 -0.122 0.000 0.968 257 N HN 0.499 nan 8.380 nan 0.000 0.445 258 A N 1.196 123.966 122.820 -0.084 0.000 1.968 258 A HA -0.022 4.298 4.320 -0.001 0.000 0.217 258 A C 1.975 179.459 177.584 -0.167 0.000 1.169 258 A CA 0.925 52.747 52.037 -0.359 0.000 0.638 258 A CB -0.479 18.093 19.000 -0.714 0.000 0.812 258 A HN 0.337 nan 8.150 nan 0.000 0.446 259 N N -0.830 117.793 118.700 -0.127 0.000 2.250 259 N HA -0.085 4.655 4.740 -0.001 0.000 0.181 259 N C 1.799 177.255 175.510 -0.091 0.000 1.017 259 N CA 1.019 54.032 53.050 -0.062 0.000 0.866 259 N CB -0.068 38.384 38.487 -0.059 0.000 0.985 259 N HN 0.448 nan 8.380 nan 0.000 0.429 260 K N 1.014 121.298 120.400 -0.193 0.000 2.217 260 K HA 0.062 4.381 4.320 -0.001 0.000 0.202 260 K C 1.904 178.464 176.600 -0.067 0.000 1.051 260 K CA 0.607 56.782 56.287 -0.185 0.000 0.952 260 K CB 0.086 32.372 32.500 -0.356 0.000 0.736 260 K HN 0.079 nan 8.250 nan 0.000 0.453 261 A N 0.837 123.651 122.820 -0.011 0.000 1.968 261 A HA -0.045 4.274 4.320 -0.001 0.000 0.217 261 A C 1.938 179.603 177.584 0.135 0.000 1.169 261 A CA 0.856 52.961 52.037 0.113 0.000 0.638 261 A CB -0.341 18.817 19.000 0.264 0.000 0.812 261 A HN 0.240 nan 8.150 nan 0.000 0.446 262 L N -1.314 119.992 121.223 0.139 0.000 2.109 262 L HA -0.096 4.243 4.340 -0.001 0.000 0.207 262 L C 2.739 179.664 176.870 0.092 0.000 1.086 262 L CA 1.471 56.422 54.840 0.186 0.000 0.760 262 L CB -0.366 41.815 42.059 0.204 0.000 0.910 262 L HN 0.529 nan 8.230 nan 0.000 0.437 263 M N -0.061 119.573 119.600 0.057 0.000 2.229 263 M HA -0.207 4.272 4.480 -0.001 0.000 0.264 263 M C 1.721 178.042 176.300 0.035 0.000 1.063 263 M CA 1.757 57.083 55.300 0.043 0.000 1.114 263 M CB -0.212 32.404 32.600 0.027 0.000 1.387 263 M HN 0.288 nan 8.290 nan 0.000 0.420 264 N N -0.075 118.647 118.700 0.037 0.000 2.309 264 N HA -0.085 4.655 4.740 -0.001 0.000 0.182 264 N C 1.304 176.802 175.510 -0.020 0.000 1.018 264 N CA 0.883 53.968 53.050 0.058 0.000 0.876 264 N CB -0.012 38.523 38.487 0.079 0.000 0.972 264 N HN 0.389 nan 8.380 nan 0.000 0.434 265 L N -0.615 120.533 121.223 -0.125 0.000 2.591 265 L HA 0.188 4.528 4.340 -0.001 0.000 0.228 265 L C 1.199 177.847 176.870 -0.371 0.000 1.133 265 L CA 0.070 54.742 54.840 -0.279 0.000 0.880 265 L CB 0.116 41.844 42.059 -0.550 0.000 1.033 265 L HN 0.229 nan 8.230 nan 0.000 0.450 266 G N -1.376 107.296 108.800 -0.214 0.000 2.141 266 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.231 266 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.231 266 G C -0.068 174.813 174.900 -0.031 0.000 0.984 266 G CA -0.373 44.649 45.100 -0.131 0.000 0.660 266 G HN 0.140 nan 8.290 nan 0.000 0.525 267 Y N 0.585 120.928 120.300 0.072 0.000 2.480 267 Y HA 0.689 5.239 4.550 -0.001 0.000 0.323 267 Y C 0.914 176.833 175.900 0.031 0.000 1.267 267 Y CA -1.781 56.350 58.100 0.051 0.000 1.336 267 Y CB 0.476 38.969 38.460 0.055 0.000 1.361 267 Y HN 0.045 nan 8.280 nan 0.000 0.518 268 E N 0.299 120.621 120.200 0.203 0.000 2.318 268 E HA 0.465 4.815 4.350 -0.001 0.000 0.265 268 E C -0.473 176.164 176.600 0.062 0.000 1.069 268 E CA -0.698 55.758 56.400 0.094 0.000 0.893 268 E CB 1.216 30.945 29.700 0.049 0.000 1.076 268 E HN 0.667 nan 8.360 nan 0.000 0.414 269 A N 1.924 124.766 122.820 0.037 0.000 2.565 269 A HA -0.030 4.290 4.320 -0.001 0.000 0.237 269 A C 0.878 178.453 177.584 -0.015 0.000 1.053 269 A CA 0.028 52.080 52.037 0.025 0.000 0.755 269 A CB 0.055 19.072 19.000 0.028 0.000 0.980 269 A HN 0.537 nan 8.150 nan 0.000 0.506 270 L N 2.216 123.426 121.223 -0.023 0.000 2.357 270 L HA 0.407 4.746 4.340 -0.001 0.000 0.211 270 L C -0.186 176.458 176.870 -0.376 0.000 1.075 270 L CA 1.042 55.755 54.840 -0.212 0.000 0.830 270 L CB -0.120 41.767 42.059 -0.288 0.000 0.996 270 L HN 0.556 nan 8.230 nan 0.000 0.467 271 F N 2.453 122.325 119.950 -0.130 0.000 2.411 271 F HA 0.491 5.018 4.527 -0.001 0.000 0.352 271 F C -1.899 173.873 175.800 -0.046 0.000 1.123 271 F CA -2.923 55.017 58.000 -0.101 0.000 1.044 271 F CB 0.325 39.260 39.000 -0.109 0.000 1.135 271 F HN -0.061 nan 8.300 nan 0.000 0.461 272 P HA 0.018 nan 4.420 nan 0.000 0.269 272 P C -2.037 175.326 177.300 0.106 0.000 1.215 272 P CA -1.076 62.066 63.100 0.070 0.000 0.780 272 P CB 0.631 32.351 31.700 0.034 0.000 0.898 273 P HA -0.205 nan 4.420 nan 0.000 0.219 273 P C 1.185 178.539 177.300 0.091 0.000 1.144 273 P CA 1.592 64.752 63.100 0.099 0.000 0.806 273 P CB -0.095 31.654 31.700 0.082 0.000 0.771 274 E N -0.559 119.688 120.200 0.078 0.000 2.204 274 E HA -0.101 4.249 4.350 -0.001 0.000 0.194 274 E C 1.943 178.591 176.600 0.079 0.000 0.989 274 E CA 0.857 57.297 56.400 0.067 0.000 0.824 274 E CB -0.558 29.175 29.700 0.054 0.000 0.756 274 E HN 0.279 nan 8.360 nan 0.000 0.477 275 M N 0.304 119.970 119.600 0.112 0.000 2.615 275 M HA 0.225 4.704 4.480 -0.001 0.000 0.262 275 M C 1.296 177.658 176.300 0.102 0.000 1.198 275 M CA 0.482 55.859 55.300 0.129 0.000 1.165 275 M CB 0.748 33.483 32.600 0.225 0.000 1.310 275 M HN 0.107 nan 8.290 nan 0.000 0.494 276 A N 1.108 124.000 122.820 0.119 0.000 3.282 276 A HA 0.228 4.548 4.320 -0.001 0.000 0.287 276 A C -0.686 176.988 177.584 0.150 0.000 1.366 276 A CA -0.322 51.785 52.037 0.118 0.000 1.069 276 A CB -0.631 18.450 19.000 0.136 0.000 1.109 276 A HN 0.208 nan 8.150 nan 0.000 0.638 277 D N 0.129 120.580 120.400 0.085 0.000 2.181 277 D HA 0.597 5.236 4.640 -0.001 0.000 0.248 277 D C -0.761 175.546 176.300 0.011 0.000 1.020 277 D CA -0.123 53.907 54.000 0.050 0.000 0.891 277 D CB 1.773 42.599 40.800 0.044 0.000 1.187 277 D HN 0.070 nan 8.370 nan 0.000 0.443 278 V N 3.148 123.043 119.914 -0.032 0.000 2.971 278 V HA 0.284 4.404 4.120 -0.001 0.000 0.309 278 V C 0.221 176.316 176.094 0.003 0.000 1.130 278 V CA -1.283 61.010 62.300 -0.012 0.000 0.964 278 V CB 1.951 33.780 31.823 0.010 0.000 1.029 278 V HN 0.656 nan 8.190 nan 0.000 0.427 279 N N 5.329 124.054 118.700 0.042 0.000 2.294 279 N HA 0.013 4.752 4.740 -0.001 0.000 0.263 279 N C -1.265 174.272 175.510 0.046 0.000 1.281 279 N CA -0.661 52.421 53.050 0.054 0.000 0.846 279 N CB 1.628 40.167 38.487 0.087 0.000 1.061 279 N HN 0.432 nan 8.380 nan 0.000 0.478 280 P HA -0.148 nan 4.420 nan 0.000 0.219 280 P C 0.792 178.115 177.300 0.038 0.000 1.146 280 P CA 1.185 64.305 63.100 0.034 0.000 0.808 280 P CB 0.163 31.883 31.700 0.033 0.000 0.779 281 A N 0.489 123.336 122.820 0.044 0.000 1.873 281 A HA -0.128 4.192 4.320 -0.001 0.000 0.215 281 A C 2.317 179.918 177.584 0.029 0.000 1.186 281 A CA 1.281 53.339 52.037 0.036 0.000 0.616 281 A CB -1.275 17.755 19.000 0.051 0.000 0.823 281 A HN -0.001 nan 8.150 nan 0.000 0.442 282 I N 0.402 120.996 120.570 0.041 0.000 2.091 282 I HA -0.270 3.899 4.170 -0.001 0.000 0.239 282 I C 2.535 178.683 176.117 0.052 0.000 1.061 282 I CA 1.502 62.808 61.300 0.011 0.000 1.317 282 I CB -1.602 36.425 38.000 0.044 0.000 1.031 282 I HN 0.302 nan 8.210 nan 0.000 0.401 283 L N 0.685 121.956 121.223 0.079 0.000 2.127 283 L HA -0.191 4.149 4.340 -0.001 0.000 0.211 283 L C 2.705 179.628 176.870 0.087 0.000 1.089 283 L CA 1.337 56.238 54.840 0.102 0.000 0.757 283 L CB -0.838 41.246 42.059 0.042 0.000 0.899 283 L HN 0.220 nan 8.230 nan 0.000 0.434 284 A N -0.065 122.787 122.820 0.053 0.000 2.067 284 A HA -0.027 4.293 4.320 -0.001 0.000 0.219 284 A C 2.475 180.075 177.584 0.026 0.000 1.158 284 A CA 1.514 53.574 52.037 0.038 0.000 0.661 284 A CB -0.430 18.584 19.000 0.023 0.000 0.801 284 A HN 0.409 nan 8.150 nan 0.000 0.452 285 A N -0.528 122.305 122.820 0.020 0.000 1.975 285 A HA 0.371 4.691 4.320 -0.001 0.000 0.215 285 A C 1.235 178.828 177.584 0.016 0.000 1.170 285 A CA 0.071 52.106 52.037 -0.004 0.000 0.656 285 A CB -0.309 18.668 19.000 -0.037 0.000 0.821 285 A HN 0.435 nan 8.150 nan 0.000 0.449 286 L N 0.000 121.268 121.223 0.075 0.000 2.949 286 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 286 L CA 0.000 54.916 54.840 0.128 0.000 0.813 286 L CB 0.000 42.220 42.059 0.268 0.000 0.961 286 L HN 0.000 nan 8.230 nan 0.000 0.502