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 3l2z_1_B DATA FIRST_RESID 8 DATA SEQUENCE RPPLDERSLR DQLIGAGSGW RQLDVVAQTG STNADLLARA ASGADIDGVV DATA SEQUENCE LIAEHQTAXX XXXXXXXXXT ARAQIILSVG VRVVDVPVQA WGWLSLAAGL DATA SEQUENCE AVLDSVAPLI AVPPAETGLK WPNDVLARGG KLAGILAEVA QPFVVLGVGL DATA SEQUENCE NVTQAXXXXX PDATSLLDLG VAAPDRNRIA SRLLRELEAR IIQWRNANPQ DATA SEQUENCE LAADYRARSL TIGSRVRVEL PGGQDVVGIA RDIDDQGRLC LDVGGRTVVV DATA SEQUENCE SAGDVVHLR 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 8 R HA 0.000 nan 4.340 nan 0.000 0.208 8 R C 0.000 176.289 176.300 -0.019 0.000 0.893 8 R CA 0.000 56.089 56.100 -0.019 0.000 0.921 8 R CB 0.000 30.286 30.300 -0.023 0.000 0.687 9 P HA 0.204 nan 4.420 nan 0.000 0.274 9 P C -2.444 174.846 177.300 -0.017 0.000 1.231 9 P CA -1.069 62.022 63.100 -0.015 0.000 0.790 9 P CB 0.336 32.029 31.700 -0.013 0.000 0.951 10 P HA 0.138 nan 4.420 nan 0.000 0.274 10 P C -0.514 176.776 177.300 -0.017 0.000 1.237 10 P CA -0.197 62.892 63.100 -0.017 0.000 0.793 10 P CB 0.756 32.447 31.700 -0.016 0.000 0.977 11 L N 1.244 122.456 121.223 -0.018 0.000 2.456 11 L HA 0.118 4.456 4.340 -0.002 0.000 0.272 11 L C 0.910 177.768 176.870 -0.020 0.000 1.189 11 L CA 0.199 55.026 54.840 -0.021 0.000 0.846 11 L CB -0.278 41.765 42.059 -0.027 0.000 1.111 11 L HN 0.361 nan 8.230 nan 0.000 0.475 12 D N 1.567 121.956 120.400 -0.019 0.000 2.428 12 D HA 0.044 4.683 4.640 -0.002 0.000 0.221 12 D C 0.857 177.146 176.300 -0.019 0.000 1.123 12 D CA -0.059 53.932 54.000 -0.016 0.000 0.869 12 D CB 1.005 41.797 40.800 -0.013 0.000 1.032 12 D HN 0.543 nan 8.370 nan 0.000 0.506 13 E N 3.291 123.479 120.200 -0.020 0.000 2.110 13 E HA -0.240 4.109 4.350 -0.002 0.000 0.193 13 E C 1.695 178.285 176.600 -0.017 0.000 0.988 13 E CA 0.716 57.102 56.400 -0.023 0.000 0.804 13 E CB 0.280 29.966 29.700 -0.023 0.000 0.745 13 E HN 0.375 nan 8.360 nan 0.000 0.458 14 R N 0.147 120.639 120.500 -0.012 0.000 2.081 14 R HA -0.096 4.243 4.340 -0.002 0.000 0.235 14 R C 2.459 178.756 176.300 -0.005 0.000 1.131 14 R CA 1.756 57.851 56.100 -0.007 0.000 0.960 14 R CB -0.525 29.772 30.300 -0.005 0.000 0.856 14 R HN 0.022 nan 8.270 nan 0.000 0.436 15 S N -0.075 115.621 115.700 -0.007 0.000 2.368 15 S HA -0.055 4.414 4.470 -0.002 0.000 0.225 15 S C 1.843 176.441 174.600 -0.004 0.000 1.030 15 S CA 1.168 59.365 58.200 -0.004 0.000 0.999 15 S CB -0.189 63.008 63.200 -0.006 0.000 0.844 15 S HN 0.383 nan 8.310 nan 0.000 0.459 16 L N 0.757 121.973 121.223 -0.012 0.000 2.056 16 L HA -0.059 4.279 4.340 -0.002 0.000 0.207 16 L C 2.865 179.731 176.870 -0.008 0.000 1.078 16 L CA 1.296 56.126 54.840 -0.017 0.000 0.749 16 L CB -0.400 41.637 42.059 -0.036 0.000 0.901 16 L HN 0.265 nan 8.230 nan 0.000 0.433 17 R N -0.199 120.297 120.500 -0.007 0.000 2.081 17 R HA -0.168 4.171 4.340 -0.002 0.000 0.235 17 R C 1.869 178.179 176.300 0.017 0.000 1.131 17 R CA 1.551 57.654 56.100 0.005 0.000 0.960 17 R CB -0.421 29.881 30.300 0.002 0.000 0.856 17 R HN 0.361 nan 8.270 nan 0.000 0.436 18 D N 0.623 121.030 120.400 0.012 0.000 2.144 18 D HA -0.144 4.494 4.640 -0.002 0.000 0.199 18 D C 2.099 178.412 176.300 0.022 0.000 0.984 18 D CA 1.167 55.176 54.000 0.015 0.000 0.834 18 D CB -0.138 40.668 40.800 0.010 0.000 0.955 18 D HN 0.359 nan 8.370 nan 0.000 0.465 19 Q N -0.245 119.568 119.800 0.021 0.000 2.119 19 Q HA -0.031 4.308 4.340 -0.002 0.000 0.201 19 Q C 1.717 177.746 176.000 0.048 0.000 0.972 19 Q CA 0.815 56.636 55.803 0.029 0.000 0.847 19 Q CB 0.082 28.834 28.738 0.023 0.000 0.903 19 Q HN 0.320 nan 8.270 nan 0.000 0.433 20 L N 0.170 121.427 121.223 0.056 0.000 2.906 20 L HA 0.244 4.582 4.340 -0.002 0.000 0.255 20 L C -0.060 176.879 176.870 0.115 0.000 1.166 20 L CA -0.172 54.728 54.840 0.100 0.000 0.977 20 L CB 0.892 43.015 42.059 0.106 0.000 1.313 20 L HN 0.074 nan 8.230 nan 0.000 0.549 21 I N 0.808 121.423 120.570 0.075 0.000 2.623 21 I HA 0.573 4.742 4.170 -0.002 0.000 0.275 21 I C 0.641 176.788 176.117 0.050 0.000 1.108 21 I CA -0.036 61.306 61.300 0.072 0.000 1.120 21 I CB 0.389 38.423 38.000 0.056 0.000 1.249 21 I HN 0.198 nan 8.210 nan 0.000 0.500 22 G N 4.508 113.338 108.800 0.049 0.000 2.467 22 G HA2 0.226 4.185 3.960 -0.002 0.000 0.103 22 G HA3 0.226 4.185 3.960 -0.002 0.000 0.103 22 G C -0.506 174.411 174.900 0.028 0.000 1.456 22 G CA 0.274 45.393 45.100 0.033 0.000 1.071 22 G HN 0.602 nan 8.290 nan 0.000 0.307 23 A N 0.395 123.232 122.820 0.028 0.000 2.290 23 A HA 0.670 4.989 4.320 -0.002 0.000 0.310 23 A C 1.370 178.970 177.584 0.026 0.000 1.202 23 A CA 0.850 52.901 52.037 0.022 0.000 0.837 23 A CB 0.375 19.386 19.000 0.018 0.000 1.139 23 A HN 2.575 nan 8.150 nan 0.000 0.509 24 G N 1.261 110.071 108.800 0.016 0.000 2.305 24 G HA2 -0.105 3.854 3.960 -0.002 0.000 0.287 24 G HA3 -0.105 3.854 3.960 -0.002 0.000 0.287 24 G C 0.182 175.093 174.900 0.019 0.000 1.036 24 G CA 0.750 45.858 45.100 0.013 0.000 0.887 24 G HN 1.207 nan 8.290 nan 0.000 0.505 25 S N -1.748 113.961 115.700 0.015 0.000 2.547 25 S HA 0.645 5.114 4.470 -0.002 0.000 0.281 25 S C 1.069 175.632 174.600 -0.062 0.000 1.118 25 S CA 0.323 58.530 58.200 0.011 0.000 0.947 25 S CB 1.669 64.949 63.200 0.134 0.000 1.053 25 S HN 1.085 nan 8.310 nan 0.000 0.482 26 G N 1.703 110.362 108.800 -0.234 0.000 3.042 26 G HA2 0.118 4.076 3.960 -0.002 0.000 0.212 26 G HA3 0.118 4.076 3.960 -0.002 0.000 0.212 26 G C -0.130 174.643 174.900 -0.212 0.000 1.166 26 G CA -0.423 44.527 45.100 -0.249 0.000 0.767 26 G HN 0.654 nan 8.290 nan 0.000 0.546 27 W N 0.617 121.923 121.300 0.010 0.000 2.303 27 W HA 0.463 5.121 4.660 -0.003 0.000 0.318 27 W C 1.383 177.902 176.519 0.001 0.000 1.362 27 W CA -1.062 56.285 57.345 0.003 0.000 1.234 27 W CB 0.938 30.397 29.460 -0.001 0.000 1.248 27 W HN -0.047 nan 8.180 nan 0.000 0.546 28 R N 1.198 121.839 120.500 0.235 0.000 2.128 28 R HA 0.007 4.345 4.340 -0.002 0.000 0.211 28 R C 0.378 176.739 176.300 0.102 0.000 1.067 28 R CA 0.593 56.768 56.100 0.125 0.000 1.010 28 R CB 0.312 30.664 30.300 0.087 0.000 0.922 28 R HN 0.509 nan 8.270 nan 0.000 0.457 29 Q N 0.570 120.432 119.800 0.103 0.000 2.315 29 Q HA 0.448 4.787 4.340 -0.002 0.000 0.273 29 Q C -1.972 174.036 176.000 0.012 0.000 1.053 29 Q CA -0.610 55.220 55.803 0.046 0.000 0.817 29 Q CB 2.126 30.878 28.738 0.024 0.000 1.326 29 Q HN 0.089 nan 8.270 nan 0.000 0.423 30 L N 3.166 124.381 121.223 -0.014 0.000 2.408 30 L HA 0.656 4.995 4.340 -0.002 0.000 0.268 30 L C -1.815 175.025 176.870 -0.049 0.000 0.986 30 L CA -0.319 54.487 54.840 -0.056 0.000 0.820 30 L CB 1.948 43.965 42.059 -0.069 0.000 1.303 30 L HN 0.752 nan 8.230 nan 0.000 0.411 31 D N 3.801 124.164 120.400 -0.062 0.000 2.732 31 D HA 0.501 5.139 4.640 -0.002 0.000 0.229 31 D C -1.196 175.070 176.300 -0.056 0.000 1.152 31 D CA -0.274 53.696 54.000 -0.050 0.000 0.854 31 D CB 3.045 43.819 40.800 -0.044 0.000 1.590 31 D HN 0.187 nan 8.370 nan 0.000 0.468 32 V N 1.015 120.903 119.914 -0.044 0.000 2.555 32 V HA 0.530 4.649 4.120 -0.002 0.000 0.302 32 V C 0.028 176.104 176.094 -0.030 0.000 1.038 32 V CA -0.777 61.498 62.300 -0.040 0.000 0.887 32 V CB 1.937 33.738 31.823 -0.035 0.000 0.991 32 V HN 0.490 nan 8.190 nan 0.000 0.434 33 V N 1.638 121.536 119.914 -0.026 0.000 2.823 33 V HA 0.878 4.997 4.120 -0.002 0.000 0.312 33 V C 0.762 176.854 176.094 -0.004 0.000 1.072 33 V CA 0.076 62.365 62.300 -0.017 0.000 0.937 33 V CB 1.592 33.402 31.823 -0.022 0.000 1.013 33 V HN 0.900 nan 8.190 nan 0.000 0.430 34 A N 2.181 125.003 122.820 0.003 0.000 1.902 34 A HA 0.052 4.370 4.320 -0.002 0.000 0.217 34 A C 1.052 178.665 177.584 0.048 0.000 1.181 34 A CA 1.974 54.022 52.037 0.018 0.000 0.623 34 A CB -0.283 18.725 19.000 0.013 0.000 0.818 34 A HN 1.118 nan 8.150 nan 0.000 0.443 35 Q N -3.210 116.611 119.800 0.035 0.000 2.472 35 Q HA 0.524 4.863 4.340 -0.002 0.000 0.281 35 Q C -1.486 174.505 176.000 -0.014 0.000 0.997 35 Q CA -0.300 55.528 55.803 0.042 0.000 0.828 35 Q CB 1.649 30.434 28.738 0.079 0.000 1.443 35 Q HN 0.254 nan 8.270 nan 0.000 0.390 36 T N 0.291 114.810 114.554 -0.058 0.000 2.786 36 T HA 0.485 4.834 4.350 -0.002 0.000 0.316 36 T C 0.320 174.960 174.700 -0.099 0.000 1.503 36 T CA 0.311 62.372 62.100 -0.066 0.000 1.019 36 T CB 1.165 69.999 68.868 -0.056 0.000 1.415 36 T HN 0.712 nan 8.240 nan 0.000 0.496 37 G N 1.023 109.776 108.800 -0.079 0.000 2.394 37 G HA2 0.263 4.221 3.960 -0.002 0.000 0.214 37 G HA3 0.263 4.221 3.960 -0.002 0.000 0.214 37 G C 0.498 175.347 174.900 -0.084 0.000 1.176 37 G CA 0.968 46.017 45.100 -0.084 0.000 0.786 37 G HN 0.874 nan 8.290 nan 0.000 0.533 38 S N -1.869 113.789 115.700 -0.070 0.000 2.546 38 S HA 0.426 4.894 4.470 -0.002 0.000 0.272 38 S C 1.077 175.639 174.600 -0.063 0.000 1.140 38 S CA 0.264 58.424 58.200 -0.066 0.000 0.920 38 S CB 1.422 64.589 63.200 -0.056 0.000 1.083 38 S HN 0.245 nan 8.310 nan 0.000 0.476 39 T N 3.130 117.645 114.554 -0.065 0.000 2.821 39 T HA -0.067 4.281 4.350 -0.002 0.000 0.267 39 T C 1.488 176.149 174.700 -0.065 0.000 1.046 39 T CA 1.232 63.293 62.100 -0.066 0.000 1.139 39 T CB -0.506 68.319 68.868 -0.072 0.000 0.871 39 T HN 0.542 nan 8.240 nan 0.000 0.454 40 N N 1.870 120.534 118.700 -0.061 0.000 2.166 40 N HA 0.106 4.844 4.740 -0.002 0.000 0.186 40 N C 2.129 177.609 175.510 -0.050 0.000 1.019 40 N CA 1.337 54.353 53.050 -0.057 0.000 0.856 40 N CB -0.699 37.757 38.487 -0.052 0.000 0.993 40 N HN 0.540 nan 8.380 nan 0.000 0.426 41 A N 0.699 123.492 122.820 -0.046 0.000 1.902 41 A HA -0.136 4.182 4.320 -0.002 0.000 0.217 41 A C 1.728 179.287 177.584 -0.042 0.000 1.181 41 A CA 1.702 53.716 52.037 -0.040 0.000 0.623 41 A CB -0.515 18.462 19.000 -0.038 0.000 0.818 41 A HN 0.150 nan 8.150 nan 0.000 0.443 42 D N -0.009 120.362 120.400 -0.049 0.000 2.117 42 D HA -0.100 4.539 4.640 -0.002 0.000 0.197 42 D C 1.913 178.178 176.300 -0.059 0.000 0.987 42 D CA 0.831 54.801 54.000 -0.050 0.000 0.829 42 D CB -0.252 40.516 40.800 -0.053 0.000 0.961 42 D HN 0.375 nan 8.370 nan 0.000 0.460 43 L N 0.122 121.303 121.223 -0.070 0.000 2.072 43 L HA -0.065 4.273 4.340 -0.002 0.000 0.205 43 L C 2.410 179.226 176.870 -0.092 0.000 1.079 43 L CA 0.643 55.428 54.840 -0.092 0.000 0.752 43 L CB -0.351 41.646 42.059 -0.104 0.000 0.906 43 L HN 0.117 nan 8.230 nan 0.000 0.436 44 L N -0.375 120.811 121.223 -0.061 0.000 2.083 44 L HA -0.189 4.149 4.340 -0.002 0.000 0.209 44 L C 2.847 179.702 176.870 -0.025 0.000 1.083 44 L CA 1.136 55.955 54.840 -0.035 0.000 0.752 44 L CB -0.617 41.431 42.059 -0.018 0.000 0.899 44 L HN 0.239 nan 8.230 nan 0.000 0.433 45 A N 0.058 122.860 122.820 -0.030 0.000 1.902 45 A HA -0.221 4.097 4.320 -0.002 0.000 0.217 45 A C 2.344 179.912 177.584 -0.025 0.000 1.181 45 A CA 1.495 53.519 52.037 -0.022 0.000 0.623 45 A CB -0.435 18.550 19.000 -0.025 0.000 0.818 45 A HN 0.275 nan 8.150 nan 0.000 0.443 46 R N -0.544 119.930 120.500 -0.044 0.000 2.096 46 R HA -0.050 4.288 4.340 -0.002 0.000 0.235 46 R C 2.381 178.652 176.300 -0.049 0.000 1.127 46 R CA 1.240 57.309 56.100 -0.050 0.000 0.968 46 R CB -0.406 29.849 30.300 -0.075 0.000 0.861 46 R HN 0.518 nan 8.270 nan 0.000 0.440 47 A N 0.625 123.408 122.820 -0.061 0.000 1.933 47 A HA -0.087 4.231 4.320 -0.002 0.000 0.218 47 A C 2.267 179.875 177.584 0.040 0.000 1.175 47 A CA 1.559 53.584 52.037 -0.020 0.000 0.628 47 A CB -0.644 18.356 19.000 -0.001 0.000 0.814 47 A HN 0.402 nan 8.150 nan 0.000 0.444 48 A N -0.614 122.219 122.820 0.022 0.000 2.070 48 A HA 0.004 4.323 4.320 -0.002 0.000 0.220 48 A C 1.913 179.512 177.584 0.025 0.000 1.159 48 A CA 1.755 53.809 52.037 0.028 0.000 0.656 48 A CB -0.408 18.601 19.000 0.015 0.000 0.800 48 A HN 0.436 nan 8.150 nan 0.000 0.453 49 S N -1.637 114.073 115.700 0.017 0.000 2.575 49 S HA 0.428 4.897 4.470 -0.002 0.000 0.237 49 S C 1.152 175.765 174.600 0.022 0.000 0.975 49 S CA 0.437 58.646 58.200 0.015 0.000 0.960 49 S CB 0.288 63.490 63.200 0.004 0.000 0.822 49 S HN 1.562 nan 8.310 nan 0.000 0.472 50 G N 1.558 110.381 108.800 0.038 0.000 2.159 50 G HA2 -0.211 3.747 3.960 -0.002 0.000 0.256 50 G HA3 -0.211 3.747 3.960 -0.002 0.000 0.256 50 G C 0.204 175.133 174.900 0.050 0.000 0.977 50 G CA -0.136 44.996 45.100 0.053 0.000 0.652 50 G HN 0.898 nan 8.290 nan 0.000 0.531 51 A N 0.105 122.937 122.820 0.020 0.000 2.440 51 A HA 0.512 4.831 4.320 -0.002 0.000 0.251 51 A C 0.314 177.885 177.584 -0.022 0.000 1.089 51 A CA 0.521 52.553 52.037 -0.008 0.000 0.779 51 A CB 0.468 19.442 19.000 -0.042 0.000 1.022 51 A HN 0.437 nan 8.150 nan 0.000 0.492 52 D N 2.456 122.857 120.400 0.003 0.000 2.365 52 D HA 0.224 4.863 4.640 -0.002 0.000 0.237 52 D C 0.985 177.195 176.300 -0.150 0.000 1.190 52 D CA -0.328 53.690 54.000 0.030 0.000 0.867 52 D CB 0.259 41.129 40.800 0.116 0.000 1.050 52 D HN 0.449 nan 8.370 nan 0.000 0.491 53 I N 0.148 120.396 120.570 -0.536 0.000 3.684 53 I HA 0.232 4.401 4.170 -0.002 0.000 0.304 53 I C 0.457 176.410 176.117 -0.272 0.000 1.278 53 I CA -0.463 60.561 61.300 -0.461 0.000 1.272 53 I CB -0.079 37.572 38.000 -0.581 0.000 1.029 53 I HN 0.074 nan 8.210 nan 0.000 0.458 54 D N 2.422 122.757 120.400 -0.108 0.000 2.493 54 D HA 0.267 4.906 4.640 -0.002 0.000 0.240 54 D C 1.442 177.807 176.300 0.108 0.000 1.142 54 D CA 1.695 55.762 54.000 0.113 0.000 0.872 54 D CB 0.604 41.549 40.800 0.241 0.000 1.173 54 D HN 0.515 nan 8.370 nan 0.000 0.467 55 G N 2.228 111.138 108.800 0.183 0.000 2.153 55 G HA2 -0.203 3.755 3.960 -0.002 0.000 0.252 55 G HA3 -0.203 3.755 3.960 -0.002 0.000 0.252 55 G C 0.074 175.214 174.900 0.399 0.000 0.994 55 G CA 0.307 45.586 45.100 0.298 0.000 0.698 55 G HN 0.539 nan 8.290 nan 0.000 0.521 56 V N 0.248 120.301 119.914 0.231 0.000 2.435 56 V HA 0.665 4.784 4.120 -0.002 0.000 0.290 56 V C 0.435 176.518 176.094 -0.018 0.000 1.030 56 V CA -0.817 61.533 62.300 0.082 0.000 0.881 56 V CB 1.985 33.799 31.823 -0.015 0.000 0.983 56 V HN 0.271 nan 8.190 nan 0.000 0.445 57 V N 5.787 125.635 119.914 -0.110 0.000 2.495 57 V HA 0.519 4.637 4.120 -0.002 0.000 0.298 57 V C -0.605 175.392 176.094 -0.161 0.000 1.031 57 V CA -0.633 61.523 62.300 -0.239 0.000 0.871 57 V CB 1.696 33.273 31.823 -0.410 0.000 0.988 57 V HN 0.614 nan 8.190 nan 0.000 0.432 58 L N 6.652 127.784 121.223 -0.152 0.000 2.349 58 L HA 0.708 5.046 4.340 -0.002 0.000 0.278 58 L C -0.656 176.145 176.870 -0.114 0.000 0.996 58 L CA 0.050 54.821 54.840 -0.113 0.000 0.825 58 L CB 1.288 43.291 42.059 -0.094 0.000 1.243 58 L HN 0.555 nan 8.230 nan 0.000 0.412 59 I N 3.807 124.319 120.570 -0.097 0.000 2.693 59 I HA 0.832 5.001 4.170 -0.002 0.000 0.303 59 I C -0.305 175.776 176.117 -0.059 0.000 1.025 59 I CA -0.792 60.458 61.300 -0.085 0.000 1.086 59 I CB 2.082 40.029 38.000 -0.088 0.000 1.268 59 I HN 0.715 nan 8.210 nan 0.000 0.440 60 A N 3.463 126.255 122.820 -0.046 0.000 2.371 60 A HA 0.500 4.819 4.320 -0.002 0.000 0.311 60 A C 0.423 178.006 177.584 -0.001 0.000 1.068 60 A CA -0.525 51.498 52.037 -0.024 0.000 0.744 60 A CB 1.270 20.251 19.000 -0.032 0.000 1.239 60 A HN 0.766 nan 8.150 nan 0.000 0.435 61 E N 0.359 120.571 120.200 0.019 0.000 2.150 61 E HA -0.104 4.244 4.350 -0.002 0.000 0.193 61 E C -0.002 176.661 176.600 0.105 0.000 0.985 61 E CA 1.356 57.779 56.400 0.037 0.000 0.814 61 E CB 0.009 29.724 29.700 0.025 0.000 0.752 61 E HN 0.706 nan 8.360 nan 0.000 0.466 62 H N -0.971 118.081 119.070 -0.029 0.000 3.012 62 H HA 0.391 4.946 4.556 -0.002 0.000 0.367 62 H C -1.354 173.957 175.328 -0.028 0.000 1.211 62 H CA -0.595 55.437 56.048 -0.026 0.000 1.139 62 H CB 1.328 31.077 29.762 -0.023 0.000 1.838 62 H HN -0.219 nan 8.280 nan 0.000 0.550 63 Q N 0.747 120.279 119.800 -0.446 0.000 2.372 63 Q HA 0.307 4.646 4.340 -0.002 0.000 0.273 63 Q C -0.048 175.604 176.000 -0.580 0.000 1.078 63 Q CA -0.195 55.371 55.803 -0.396 0.000 0.806 63 Q CB 2.367 30.992 28.738 -0.188 0.000 1.332 63 Q HN 0.884 nan 8.270 nan 0.000 0.435 64 T N -1.743 112.591 114.554 -0.366 0.000 3.023 64 T HA 0.518 4.866 4.350 -0.002 0.000 0.249 64 T C 0.483 175.101 174.700 -0.136 0.000 1.050 64 T CA 0.537 62.484 62.100 -0.254 0.000 1.088 64 T CB 0.485 69.255 68.868 -0.163 0.000 0.946 64 T HN 0.477 nan 8.240 nan 0.000 0.480 78 A N 2.406 125.038 122.820 -0.314 0.000 2.488 78 A HA 0.703 5.021 4.320 -0.002 0.000 0.249 78 A C 1.253 178.781 177.584 -0.093 0.000 1.083 78 A CA 0.638 52.521 52.037 -0.257 0.000 0.768 78 A CB -0.416 18.340 19.000 -0.407 0.000 1.017 78 A HN 1.514 nan 8.150 nan 0.000 0.496 79 R N -0.214 120.270 120.500 -0.026 0.000 3.728 79 R HA -0.216 4.122 4.340 -0.002 0.000 0.478 79 R C 1.106 177.397 176.300 -0.015 0.000 0.932 79 R CA 1.716 57.803 56.100 -0.021 0.000 1.317 79 R CB -2.069 28.210 30.300 -0.036 0.000 1.987 79 R HN 1.200 nan 8.270 nan 0.000 0.509 80 A N 0.014 122.829 122.820 -0.009 0.000 2.178 80 A HA 0.153 4.471 4.320 -0.002 0.000 0.211 80 A C 0.553 178.137 177.584 -0.000 0.000 1.157 80 A CA 1.106 53.140 52.037 -0.006 0.000 0.780 80 A CB 0.069 19.067 19.000 -0.004 0.000 0.828 80 A HN 0.457 nan 8.150 nan 0.000 0.476 81 Q N -1.752 118.051 119.800 0.005 0.000 2.615 81 Q HA 0.693 5.031 4.340 -0.002 0.000 0.298 81 Q C -1.512 174.484 176.000 -0.006 0.000 1.023 81 Q CA -0.874 54.929 55.803 -0.001 0.000 0.768 81 Q CB 1.587 30.325 28.738 0.002 0.000 1.500 81 Q HN 0.167 nan 8.270 nan 0.000 0.441 82 I N 1.967 122.529 120.570 -0.015 0.000 2.312 82 I HA 0.325 4.494 4.170 -0.002 0.000 0.290 82 I C -0.838 175.260 176.117 -0.031 0.000 1.008 82 I CA -0.368 60.916 61.300 -0.025 0.000 1.226 82 I CB 0.748 38.729 38.000 -0.031 0.000 1.371 82 I HN 0.366 nan 8.210 nan 0.000 0.468 83 I N 8.138 128.688 120.570 -0.035 0.000 2.382 83 I HA 0.498 4.667 4.170 -0.002 0.000 0.286 83 I C -0.909 175.170 176.117 -0.062 0.000 1.002 83 I CA -0.878 60.395 61.300 -0.044 0.000 1.135 83 I CB 1.095 39.074 38.000 -0.036 0.000 1.288 83 I HN 0.306 nan 8.210 nan 0.000 0.448 84 L N 2.905 124.082 121.223 -0.076 0.000 2.415 84 L HA 0.822 5.161 4.340 -0.002 0.000 0.256 84 L C -0.644 176.163 176.870 -0.105 0.000 1.010 84 L CA -0.567 54.212 54.840 -0.102 0.000 0.826 84 L CB 2.033 44.012 42.059 -0.134 0.000 1.405 84 L HN 0.337 nan 8.230 nan 0.000 0.410 85 S N 0.359 115.987 115.700 -0.118 0.000 2.526 85 S HA 0.912 5.381 4.470 -0.002 0.000 0.293 85 S C -0.724 173.794 174.600 -0.136 0.000 1.092 85 S CA -0.395 57.739 58.200 -0.109 0.000 0.980 85 S CB 2.056 65.201 63.200 -0.091 0.000 1.048 85 S HN 1.131 nan 8.310 nan 0.000 0.483 86 V N 0.149 119.998 119.914 -0.109 0.000 2.914 86 V HA 1.047 5.165 4.120 -0.002 0.000 0.314 86 V C 0.053 176.145 176.094 -0.005 0.000 1.084 86 V CA -0.715 61.538 62.300 -0.077 0.000 0.963 86 V CB 1.485 33.263 31.823 -0.074 0.000 1.025 86 V HN 0.892 nan 8.190 nan 0.000 0.432 87 G N 1.649 110.465 108.800 0.026 0.000 2.371 87 G HA2 0.659 4.618 3.960 -0.002 0.000 0.326 87 G HA3 0.659 4.618 3.960 -0.002 0.000 0.326 87 G C -1.110 173.844 174.900 0.090 0.000 1.127 87 G CA -0.717 44.374 45.100 -0.015 0.000 0.885 87 G HN 1.141 nan 8.290 nan 0.000 0.477 88 V N 1.401 121.384 119.914 0.114 0.000 2.876 88 V HA 0.523 4.641 4.120 -0.002 0.000 0.312 88 V C -0.040 176.207 176.094 0.255 0.000 1.085 88 V CA -1.072 61.314 62.300 0.143 0.000 0.945 88 V CB 2.167 33.993 31.823 0.005 0.000 1.017 88 V HN 0.802 nan 8.190 nan 0.000 0.428 89 R N 2.005 122.634 120.500 0.216 0.000 2.198 89 R HA 0.459 4.797 4.340 -0.002 0.000 0.339 89 R C 0.441 176.760 176.300 0.033 0.000 1.020 89 R CA -0.146 55.999 56.100 0.075 0.000 0.864 89 R CB 1.314 31.640 30.300 0.045 0.000 1.105 89 R HN 0.754 nan 8.270 nan 0.000 0.463 90 V N 1.843 121.681 119.914 -0.127 0.000 3.621 90 V HA 0.078 4.196 4.120 -0.002 0.000 0.285 90 V C 1.443 177.498 176.094 -0.065 0.000 1.346 90 V CA 0.155 62.348 62.300 -0.179 0.000 1.104 90 V CB 0.625 31.911 31.823 -0.895 0.000 0.913 90 V HN 0.507 nan 8.190 nan 0.000 0.432 91 V N 3.296 123.188 119.914 -0.037 0.000 2.490 91 V HA -0.177 3.942 4.120 -0.002 0.000 0.250 91 V C 2.327 178.515 176.094 0.156 0.000 1.061 91 V CA 2.615 64.983 62.300 0.113 0.000 1.064 91 V CB -0.401 31.409 31.823 -0.022 0.000 0.670 91 V HN 0.929 nan 8.190 nan 0.000 0.461 92 D N -1.007 119.443 120.400 0.083 0.000 2.340 92 D HA 0.021 4.659 4.640 -0.002 0.000 0.220 92 D C 0.423 176.746 176.300 0.037 0.000 1.039 92 D CA 0.280 54.306 54.000 0.045 0.000 0.866 92 D CB 0.214 41.014 40.800 0.001 0.000 0.913 92 D HN 0.354 nan 8.370 nan 0.000 0.523 93 V N 0.857 120.845 119.914 0.124 0.000 2.715 93 V HA 0.344 4.463 4.120 -0.002 0.000 0.310 93 V C -2.323 173.915 176.094 0.240 0.000 1.054 93 V CA -2.044 60.303 62.300 0.079 0.000 0.928 93 V CB 1.971 33.744 31.823 -0.084 0.000 1.007 93 V HN -0.149 nan 8.190 nan 0.000 0.437 94 P HA 0.087 nan 4.420 nan 0.000 0.268 94 P C 0.903 178.101 177.300 -0.169 0.000 1.205 94 P CA 0.022 63.114 63.100 -0.014 0.000 0.771 94 P CB 0.613 32.291 31.700 -0.038 0.000 0.858 95 V N 2.871 122.517 119.914 -0.447 0.000 2.720 95 V HA -0.252 3.867 4.120 -0.002 0.000 0.256 95 V C 2.186 177.889 176.094 -0.652 0.000 1.082 95 V CA 1.617 63.261 62.300 -1.093 0.000 1.101 95 V CB -1.331 29.962 31.823 -0.884 0.000 0.693 95 V HN 0.627 nan 8.190 nan 0.000 0.479 96 Q N 1.425 121.066 119.800 -0.265 0.000 2.297 96 Q HA -0.027 4.312 4.340 -0.002 0.000 0.204 96 Q C 2.017 178.065 176.000 0.080 0.000 0.962 96 Q CA 1.773 57.528 55.803 -0.079 0.000 0.879 96 Q CB -0.442 28.277 28.738 -0.031 0.000 0.947 96 Q HN 0.608 nan 8.270 nan 0.000 0.462 97 A N -0.159 122.754 122.820 0.154 0.000 2.275 97 A HA 0.048 4.367 4.320 -0.002 0.000 0.212 97 A C 1.123 179.168 177.584 0.768 0.000 1.201 97 A CA -0.313 51.979 52.037 0.426 0.000 0.843 97 A CB -0.541 18.637 19.000 0.296 0.000 0.873 97 A HN 0.327 nan 8.150 nan 0.000 0.492 98 W N 0.379 121.902 121.300 0.372 0.000 2.392 98 W HA -0.002 4.658 4.660 -0.001 0.000 0.279 98 W C 2.189 178.824 176.519 0.192 0.000 1.225 98 W CA 0.376 57.929 57.345 0.347 0.000 1.233 98 W CB -1.288 28.295 29.460 0.205 0.000 1.122 98 W HN 0.400 nan 8.180 nan 0.000 0.561 99 G N -1.028 107.990 108.800 0.363 0.000 2.432 99 G HA2 -0.268 3.690 3.960 -0.002 0.000 0.219 99 G HA3 -0.268 3.690 3.960 -0.002 0.000 0.219 99 G C 1.212 176.127 174.900 0.024 0.000 1.135 99 G CA 0.501 45.672 45.100 0.118 0.000 0.767 99 G HN 0.279 nan 8.290 nan 0.000 0.550 100 W N -0.331 121.063 121.300 0.156 0.000 2.699 100 W HA 0.207 4.864 4.660 -0.005 0.000 0.249 100 W C 2.161 178.610 176.519 -0.117 0.000 1.280 100 W CA -0.492 56.904 57.345 0.085 0.000 1.345 100 W CB 0.087 29.721 29.460 0.291 0.000 1.128 100 W HN 0.129 nan 8.180 nan 0.000 0.642 101 L N 0.535 121.687 121.223 -0.118 0.000 2.056 101 L HA -0.188 4.151 4.340 -0.002 0.000 0.207 101 L C 2.705 179.429 176.870 -0.244 0.000 1.078 101 L CA 2.473 57.035 54.840 -0.464 0.000 0.749 101 L CB -1.311 40.335 42.059 -0.688 0.000 0.901 101 L HN -0.002 nan 8.230 nan 0.000 0.433 102 S N -1.347 114.245 115.700 -0.180 0.000 2.402 102 S HA -0.148 4.321 4.470 -0.002 0.000 0.229 102 S C 2.050 176.580 174.600 -0.117 0.000 1.021 102 S CA 1.090 59.200 58.200 -0.150 0.000 0.974 102 S CB -0.750 62.346 63.200 -0.172 0.000 0.800 102 S HN 0.450 nan 8.310 nan 0.000 0.484 103 L N 1.209 122.338 121.223 -0.158 0.000 2.093 103 L HA -0.010 4.328 4.340 -0.002 0.000 0.208 103 L C 3.246 180.167 176.870 0.085 0.000 1.085 103 L CA 1.263 55.998 54.840 -0.177 0.000 0.755 103 L CB -1.054 40.665 42.059 -0.566 0.000 0.904 103 L HN 0.494 nan 8.230 nan 0.000 0.435 104 A N 0.234 123.135 122.820 0.135 0.000 1.933 104 A HA -0.130 4.189 4.320 -0.002 0.000 0.218 104 A C 2.549 180.201 177.584 0.112 0.000 1.175 104 A CA 1.642 53.781 52.037 0.171 0.000 0.628 104 A CB -0.552 18.528 19.000 0.133 0.000 0.814 104 A HN 0.395 nan 8.150 nan 0.000 0.444 105 A N -0.467 122.377 122.820 0.041 0.000 1.902 105 A HA 0.134 4.452 4.320 -0.002 0.000 0.217 105 A C 2.389 180.009 177.584 0.060 0.000 1.181 105 A CA 1.869 53.927 52.037 0.034 0.000 0.623 105 A CB -1.316 17.674 19.000 -0.016 0.000 0.818 105 A HN 0.709 nan 8.150 nan 0.000 0.443 106 G N -0.400 108.447 108.800 0.079 0.000 2.408 106 G HA2 -0.108 3.850 3.960 -0.002 0.000 0.217 106 G HA3 -0.108 3.850 3.960 -0.002 0.000 0.217 106 G C 1.444 176.420 174.900 0.126 0.000 1.150 106 G CA 1.121 46.280 45.100 0.097 0.000 0.776 106 G HN 0.423 nan 8.290 nan 0.000 0.542 107 L N 1.448 122.785 121.223 0.190 0.000 2.046 107 L HA 0.138 4.477 4.340 -0.002 0.000 0.208 107 L C 3.050 179.993 176.870 0.122 0.000 1.077 107 L CA 1.972 56.919 54.840 0.178 0.000 0.747 107 L CB -0.775 41.445 42.059 0.269 0.000 0.896 107 L HN 0.240 nan 8.230 nan 0.000 0.432 108 A N -1.358 121.531 122.820 0.114 0.000 1.933 108 A HA -0.135 4.183 4.320 -0.002 0.000 0.218 108 A C 2.220 179.846 177.584 0.071 0.000 1.175 108 A CA 1.905 53.998 52.037 0.093 0.000 0.628 108 A CB -0.947 18.111 19.000 0.098 0.000 0.814 108 A HN 0.310 nan 8.150 nan 0.000 0.444 109 V N -0.421 119.529 119.914 0.061 0.000 2.307 109 V HA -0.205 3.913 4.120 -0.002 0.000 0.245 109 V C 2.448 178.565 176.094 0.038 0.000 1.045 109 V CA 1.788 64.112 62.300 0.041 0.000 1.024 109 V CB -0.884 30.958 31.823 0.030 0.000 0.651 109 V HN 0.558 nan 8.190 nan 0.000 0.449 110 L N 0.471 121.722 121.223 0.046 0.000 2.083 110 L HA -0.154 4.184 4.340 -0.002 0.000 0.209 110 L C 1.994 178.887 176.870 0.037 0.000 1.083 110 L CA 2.013 56.876 54.840 0.038 0.000 0.752 110 L CB -0.800 41.282 42.059 0.039 0.000 0.899 110 L HN 0.260 nan 8.230 nan 0.000 0.433 111 D N -0.941 119.487 120.400 0.047 0.000 2.144 111 D HA -0.127 4.512 4.640 -0.002 0.000 0.199 111 D C 2.307 178.630 176.300 0.038 0.000 0.984 111 D CA 1.501 55.528 54.000 0.045 0.000 0.834 111 D CB -0.036 40.797 40.800 0.056 0.000 0.955 111 D HN 0.560 nan 8.370 nan 0.000 0.465 112 S N -1.027 114.696 115.700 0.037 0.000 2.528 112 S HA 0.059 4.527 4.470 -0.002 0.000 0.219 112 S C 1.683 176.296 174.600 0.022 0.000 0.985 112 S CA -0.070 58.149 58.200 0.031 0.000 0.914 112 S CB 0.614 63.834 63.200 0.033 0.000 0.776 112 S HN 0.063 nan 8.310 nan 0.000 0.526 113 V N 0.511 120.437 119.914 0.021 0.000 3.612 113 V HA 0.412 4.531 4.120 -0.002 0.000 0.268 113 V C 2.412 178.515 176.094 0.014 0.000 1.365 113 V CA 0.725 63.034 62.300 0.015 0.000 1.044 113 V CB 0.179 32.010 31.823 0.013 0.000 0.820 113 V HN 0.523 nan 8.190 nan 0.000 0.444 114 A N 1.082 123.913 122.820 0.017 0.000 1.933 114 A HA -0.045 4.274 4.320 -0.002 0.000 0.218 114 A C 0.174 177.767 177.584 0.014 0.000 1.175 114 A CA 1.799 53.845 52.037 0.015 0.000 0.628 114 A CB -1.568 17.442 19.000 0.017 0.000 0.814 114 A HN 0.525 nan 8.150 nan 0.000 0.444 115 P HA -0.089 nan 4.420 nan 0.000 0.220 115 P C 0.802 178.108 177.300 0.011 0.000 1.148 115 P CA 0.830 63.938 63.100 0.014 0.000 0.803 115 P CB -0.117 31.592 31.700 0.016 0.000 0.782 116 L N -2.610 118.619 121.223 0.010 0.000 2.629 116 L HA 0.259 4.598 4.340 -0.002 0.000 0.230 116 L C 0.734 177.609 176.870 0.007 0.000 1.151 116 L CA -0.083 54.762 54.840 0.008 0.000 0.924 116 L CB -0.573 41.491 42.059 0.007 0.000 1.137 116 L HN -0.125 nan 8.230 nan 0.000 0.457 117 I N -0.273 120.302 120.570 0.008 0.000 2.562 117 I HA 0.433 4.601 4.170 -0.002 0.000 0.301 117 I C 0.992 177.113 176.117 0.007 0.000 1.003 117 I CA -0.488 60.816 61.300 0.007 0.000 1.127 117 I CB 1.953 39.957 38.000 0.007 0.000 1.304 117 I HN -0.094 nan 8.210 nan 0.000 0.446 118 A N 4.042 126.865 122.820 0.006 0.000 2.275 118 A HA 0.183 4.502 4.320 -0.002 0.000 0.212 118 A C 0.801 178.389 177.584 0.006 0.000 1.201 118 A CA 0.049 52.089 52.037 0.006 0.000 0.843 118 A CB -0.159 18.844 19.000 0.005 0.000 0.873 118 A HN 0.575 nan 8.150 nan 0.000 0.492 119 V N 0.431 120.348 119.914 0.006 0.000 3.051 119 V HA 0.394 4.513 4.120 -0.002 0.000 0.306 119 V C -2.275 173.823 176.094 0.007 0.000 1.083 119 V CA -1.770 60.534 62.300 0.007 0.000 1.104 119 V CB 0.720 32.547 31.823 0.007 0.000 1.027 119 V HN 0.314 nan 8.190 nan 0.000 0.483 120 P HA 0.390 nan 4.420 nan 0.000 0.274 120 P C -2.460 174.845 177.300 0.008 0.000 1.256 120 P CA -1.758 61.346 63.100 0.007 0.000 0.795 120 P CB -0.097 31.607 31.700 0.006 0.000 1.038 121 P HA -0.074 nan 4.420 nan 0.000 0.220 121 P C 1.144 178.448 177.300 0.007 0.000 1.148 121 P CA 1.665 64.770 63.100 0.008 0.000 0.803 121 P CB -0.307 31.397 31.700 0.008 0.000 0.782 122 A N -0.868 121.956 122.820 0.006 0.000 2.147 122 A HA -0.034 4.285 4.320 -0.002 0.000 0.211 122 A C 2.140 179.729 177.584 0.008 0.000 1.160 122 A CA 0.682 52.722 52.037 0.005 0.000 0.781 122 A CB -0.627 18.375 19.000 0.004 0.000 0.842 122 A HN -0.046 nan 8.150 nan 0.000 0.475 123 E N 0.868 121.074 120.200 0.010 0.000 2.110 123 E HA -0.075 4.273 4.350 -0.002 0.000 0.193 123 E C 1.045 177.655 176.600 0.017 0.000 0.988 123 E CA 1.404 57.812 56.400 0.013 0.000 0.804 123 E CB -0.332 29.374 29.700 0.011 0.000 0.745 123 E HN 0.664 nan 8.360 nan 0.000 0.458 124 T N -2.502 112.060 114.554 0.014 0.000 2.925 124 T HA 0.736 5.085 4.350 -0.002 0.000 0.285 124 T C 0.362 175.069 174.700 0.013 0.000 1.021 124 T CA -0.254 61.856 62.100 0.015 0.000 1.042 124 T CB 2.311 71.187 68.868 0.012 0.000 1.037 124 T HN 0.102 nan 8.240 nan 0.000 0.481 125 G N 0.803 109.613 108.800 0.016 0.000 2.427 125 G HA2 0.486 4.444 3.960 -0.002 0.000 0.306 125 G HA3 0.486 4.444 3.960 -0.002 0.000 0.306 125 G C -2.002 172.905 174.900 0.011 0.000 1.280 125 G CA -1.099 44.003 45.100 0.004 0.000 0.837 125 G HN 0.881 nan 8.290 nan 0.000 0.482 126 L N 0.750 121.963 121.223 -0.016 0.000 2.296 126 L HA 0.587 4.926 4.340 -0.002 0.000 0.286 126 L C 0.069 176.999 176.870 0.099 0.000 1.023 126 L CA -0.799 54.047 54.840 0.009 0.000 0.812 126 L CB 1.923 43.907 42.059 -0.125 0.000 1.223 126 L HN 0.591 nan 8.230 nan 0.000 0.421 127 K N 2.857 123.341 120.400 0.140 0.000 2.213 127 K HA 0.204 4.523 4.320 -0.002 0.000 0.270 127 K C -0.969 175.783 176.600 0.254 0.000 1.002 127 K CA -0.546 55.867 56.287 0.210 0.000 0.868 127 K CB 1.068 33.587 32.500 0.031 0.000 1.093 127 K HN 0.453 nan 8.250 nan 0.000 0.454 128 W N 7.468 128.865 121.300 0.162 0.000 2.216 128 W HA 0.203 4.865 4.660 0.003 0.000 0.326 128 W C -1.954 174.598 176.519 0.055 0.000 1.319 128 W CA -1.445 55.978 57.345 0.130 0.000 1.213 128 W CB 1.130 30.663 29.460 0.121 0.000 1.171 128 W HN 0.579 nan 8.180 nan 0.000 0.557 129 P HA 0.190 nan 4.420 nan 0.000 0.291 129 P C -0.489 176.595 177.300 -0.361 0.000 1.388 129 P CA 0.474 63.077 63.100 -0.829 0.000 1.061 129 P CB 0.843 31.677 31.700 -1.443 0.000 1.534 130 N N -0.483 118.089 118.700 -0.213 0.000 2.159 130 N HA 0.092 4.830 4.740 -0.002 0.000 0.217 130 N C -0.514 174.960 175.510 -0.061 0.000 1.223 130 N CA -0.144 52.824 53.050 -0.135 0.000 0.896 130 N CB 0.563 38.966 38.487 -0.141 0.000 1.064 130 N HN -0.060 nan 8.380 nan 0.000 0.518 131 D N 0.428 120.813 120.400 -0.026 0.000 2.481 131 D HA 0.288 4.927 4.640 -0.002 0.000 0.244 131 D C -0.608 175.703 176.300 0.018 0.000 1.057 131 D CA -0.404 53.589 54.000 -0.011 0.000 0.848 131 D CB 2.630 43.413 40.800 -0.029 0.000 1.388 131 D HN -0.281 nan 8.370 nan 0.000 0.475 132 V N 2.251 122.172 119.914 0.013 0.000 2.439 132 V HA 0.373 4.491 4.120 -0.002 0.000 0.282 132 V C -0.327 175.773 176.094 0.010 0.000 1.039 132 V CA -0.663 61.649 62.300 0.020 0.000 0.913 132 V CB 1.225 33.059 31.823 0.019 0.000 0.983 132 V HN 0.314 nan 8.190 nan 0.000 0.460 133 L N 4.057 125.289 121.223 0.015 0.000 2.346 133 L HA 0.836 5.175 4.340 -0.002 0.000 0.276 133 L C 0.176 177.055 176.870 0.015 0.000 1.006 133 L CA -0.469 54.378 54.840 0.011 0.000 0.817 133 L CB 1.683 43.753 42.059 0.019 0.000 1.272 133 L HN 0.786 nan 8.230 nan 0.000 0.421 134 A N 2.789 125.615 122.820 0.010 0.000 2.319 134 A HA 0.733 5.051 4.320 -0.002 0.000 0.310 134 A C 0.190 177.781 177.584 0.011 0.000 1.152 134 A CA -0.636 51.407 52.037 0.011 0.000 0.783 134 A CB 0.390 19.395 19.000 0.008 0.000 1.184 134 A HN 0.680 nan 8.150 nan 0.000 0.474 135 R N 1.275 121.783 120.500 0.014 0.000 3.322 135 R HA -0.221 4.117 4.340 -0.002 0.000 0.253 135 R C 1.280 177.590 176.300 0.016 0.000 0.987 135 R CA 1.911 58.019 56.100 0.014 0.000 0.666 135 R CB -1.842 28.464 30.300 0.010 0.000 1.072 135 R HN 2.567 nan 8.270 nan 0.000 0.447 136 G N -2.803 106.010 108.800 0.022 0.000 2.245 136 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.264 136 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.264 136 G C 0.526 175.430 174.900 0.008 0.000 0.985 136 G CA 0.235 45.349 45.100 0.024 0.000 0.625 136 G HN 0.930 nan 8.290 nan 0.000 0.536 137 G N -0.343 108.460 108.800 0.005 0.000 2.412 137 G HA2 0.542 4.501 3.960 -0.002 0.000 0.318 137 G HA3 0.542 4.501 3.960 -0.002 0.000 0.318 137 G C -0.121 174.775 174.900 -0.007 0.000 1.146 137 G CA 0.004 45.103 45.100 -0.003 0.000 0.882 137 G HN 0.456 nan 8.290 nan 0.000 0.501 138 K N 1.959 122.351 120.400 -0.014 0.000 2.278 138 K HA 0.117 4.435 4.320 -0.002 0.000 0.289 138 K C 0.950 177.544 176.600 -0.010 0.000 1.080 138 K CA -0.625 55.653 56.287 -0.016 0.000 0.934 138 K CB 0.511 32.996 32.500 -0.024 0.000 1.093 138 K HN 0.312 nan 8.250 nan 0.000 0.459 139 L N 4.345 125.565 121.223 -0.006 0.000 2.072 139 L HA 0.117 4.456 4.340 -0.002 0.000 0.205 139 L C 0.144 177.011 176.870 -0.006 0.000 1.079 139 L CA 1.662 56.500 54.840 -0.004 0.000 0.752 139 L CB -0.112 41.948 42.059 0.001 0.000 0.906 139 L HN 0.722 nan 8.230 nan 0.000 0.436 140 A N -2.408 120.408 122.820 -0.007 0.000 2.612 140 A HA 0.727 5.046 4.320 -0.002 0.000 0.293 140 A C -0.563 177.011 177.584 -0.016 0.000 1.075 140 A CA -0.055 51.975 52.037 -0.011 0.000 0.680 140 A CB 0.767 19.763 19.000 -0.007 0.000 1.279 140 A HN 0.245 nan 8.150 nan 0.000 0.411 141 G N 0.152 108.938 108.800 -0.024 0.000 2.563 141 G HA2 0.628 4.586 3.960 -0.002 0.000 0.302 141 G HA3 0.628 4.586 3.960 -0.002 0.000 0.302 141 G C -1.066 173.810 174.900 -0.040 0.000 1.301 141 G CA -0.521 44.559 45.100 -0.034 0.000 0.965 141 G HN 0.588 nan 8.290 nan 0.000 0.480 142 I N 1.398 121.937 120.570 -0.051 0.000 2.433 142 I HA 0.383 4.551 4.170 -0.002 0.000 0.292 142 I C -1.124 174.949 176.117 -0.074 0.000 1.001 142 I CA -0.820 60.444 61.300 -0.060 0.000 1.119 142 I CB 1.658 39.621 38.000 -0.062 0.000 1.289 142 I HN 0.232 nan 8.210 nan 0.000 0.438 143 L N 6.203 127.384 121.223 -0.070 0.000 2.325 143 L HA 0.762 5.101 4.340 -0.002 0.000 0.281 143 L C -0.254 176.571 176.870 -0.074 0.000 1.004 143 L CA -0.474 54.323 54.840 -0.073 0.000 0.823 143 L CB 1.297 43.319 42.059 -0.061 0.000 1.236 143 L HN 0.712 nan 8.230 nan 0.000 0.415 144 A N 4.890 127.662 122.820 -0.081 0.000 2.318 144 A HA 0.783 5.102 4.320 -0.002 0.000 0.324 144 A C -0.662 176.889 177.584 -0.056 0.000 1.170 144 A CA -0.513 51.477 52.037 -0.079 0.000 0.810 144 A CB 0.614 19.555 19.000 -0.097 0.000 1.198 144 A HN 0.730 nan 8.150 nan 0.000 0.484 145 E N 1.480 121.652 120.200 -0.046 0.000 2.218 145 E HA 0.405 4.753 4.350 -0.002 0.000 0.263 145 E C -0.700 175.892 176.600 -0.014 0.000 0.879 145 E CA -0.807 55.579 56.400 -0.022 0.000 0.762 145 E CB 2.338 32.026 29.700 -0.020 0.000 1.166 145 E HN 0.614 nan 8.360 nan 0.000 0.415 146 V N 0.712 120.635 119.914 0.013 0.000 2.649 146 V HA 0.773 4.891 4.120 -0.002 0.000 0.292 146 V C -0.232 175.889 176.094 0.044 0.000 1.055 146 V CA -0.083 62.230 62.300 0.020 0.000 1.023 146 V CB 1.058 32.935 31.823 0.090 0.000 0.992 146 V HN 0.751 nan 8.190 nan 0.000 0.480 147 A N 5.323 128.170 122.820 0.045 0.000 3.158 147 A HA 0.430 4.748 4.320 -0.002 0.000 0.302 147 A C -0.137 177.492 177.584 0.076 0.000 1.162 147 A CA -0.712 51.368 52.037 0.073 0.000 0.824 147 A CB 0.242 19.291 19.000 0.082 0.000 1.322 147 A HN 1.011 nan 8.150 nan 0.000 0.510 148 Q N 1.851 121.678 119.800 0.044 0.000 2.349 148 Q HA 0.143 4.482 4.340 -0.002 0.000 0.287 148 Q C -1.594 174.366 176.000 -0.066 0.000 1.044 148 Q CA -1.021 54.765 55.803 -0.028 0.000 0.918 148 Q CB 0.645 29.418 28.738 0.058 0.000 1.242 148 Q HN 0.410 nan 8.270 nan 0.000 0.405 149 P HA 0.027 nan 4.420 nan 0.000 0.245 149 P C -0.694 176.251 177.300 -0.592 0.000 1.212 149 P CA 0.646 63.454 63.100 -0.486 0.000 0.774 149 P CB 0.209 31.467 31.700 -0.738 0.000 0.999 150 F N -0.970 118.926 119.950 -0.091 0.000 2.507 150 F HA 0.422 4.947 4.527 -0.002 0.000 0.327 150 F C 0.455 176.148 175.800 -0.178 0.000 1.068 150 F CA -1.370 56.557 58.000 -0.121 0.000 0.965 150 F CB 1.801 40.762 39.000 -0.065 0.000 1.192 150 F HN -0.453 nan 8.300 nan 0.000 0.476 151 V N 2.862 122.780 119.914 0.008 0.000 2.513 151 V HA 0.455 4.574 4.120 -0.002 0.000 0.299 151 V C -0.709 175.367 176.094 -0.029 0.000 1.035 151 V CA -0.785 61.468 62.300 -0.078 0.000 0.889 151 V CB 2.055 33.748 31.823 -0.216 0.000 0.988 151 V HN 0.478 nan 8.190 nan 0.000 0.440 152 V N 6.681 126.571 119.914 -0.039 0.000 2.370 152 V HA 0.451 4.570 4.120 -0.002 0.000 0.283 152 V C -0.203 175.852 176.094 -0.064 0.000 1.023 152 V CA -0.442 61.828 62.300 -0.050 0.000 0.857 152 V CB 1.581 33.373 31.823 -0.051 0.000 0.985 152 V HN 0.594 nan 8.190 nan 0.000 0.443 153 L N 4.814 125.999 121.223 -0.064 0.000 2.287 153 L HA 0.676 5.015 4.340 -0.002 0.000 0.287 153 L C 0.712 177.542 176.870 -0.067 0.000 1.022 153 L CA -0.237 54.561 54.840 -0.070 0.000 0.814 153 L CB 1.545 43.565 42.059 -0.065 0.000 1.217 153 L HN 0.748 nan 8.230 nan 0.000 0.420 154 G N 3.147 111.907 108.800 -0.067 0.000 2.343 154 G HA2 0.574 4.532 3.960 -0.002 0.000 0.319 154 G HA3 0.574 4.532 3.960 -0.002 0.000 0.319 154 G C -0.944 173.920 174.900 -0.061 0.000 1.126 154 G CA -0.289 44.772 45.100 -0.066 0.000 0.889 154 G HN 0.297 nan 8.290 nan 0.000 0.457 155 V N 1.336 121.214 119.914 -0.061 0.000 2.540 155 V HA 0.783 4.902 4.120 -0.002 0.000 0.302 155 V C 0.517 176.583 176.094 -0.047 0.000 1.035 155 V CA -0.541 61.729 62.300 -0.050 0.000 0.873 155 V CB 1.904 33.698 31.823 -0.048 0.000 0.992 155 V HN 0.963 nan 8.190 nan 0.000 0.428 156 G N 4.132 112.909 108.800 -0.039 0.000 2.605 156 G HA2 0.602 4.560 3.960 -0.002 0.000 0.304 156 G HA3 0.602 4.560 3.960 -0.002 0.000 0.304 156 G C -1.411 173.474 174.900 -0.024 0.000 1.333 156 G CA -0.424 44.656 45.100 -0.033 0.000 0.973 156 G HN 0.582 nan 8.290 nan 0.000 0.507 157 L N 2.435 123.646 121.223 -0.021 0.000 2.287 157 L HA 0.520 4.859 4.340 -0.002 0.000 0.287 157 L C -0.740 176.124 176.870 -0.011 0.000 1.022 157 L CA -1.103 53.729 54.840 -0.015 0.000 0.814 157 L CB 1.240 43.291 42.059 -0.014 0.000 1.217 157 L HN 0.321 nan 8.230 nan 0.000 0.420 158 N N 4.303 122.998 118.700 -0.008 0.000 2.420 158 N HA 0.144 4.883 4.740 -0.002 0.000 0.262 158 N C 0.712 176.219 175.510 -0.005 0.000 1.144 158 N CA -0.146 52.901 53.050 -0.006 0.000 0.952 158 N CB 1.797 40.281 38.487 -0.005 0.000 1.081 158 N HN 0.553 nan 8.380 nan 0.000 0.480 159 V N 1.414 121.325 119.914 -0.005 0.000 2.581 159 V HA -0.051 4.068 4.120 -0.002 0.000 0.240 159 V C 1.789 177.880 176.094 -0.005 0.000 1.054 159 V CA 1.626 63.923 62.300 -0.006 0.000 1.076 159 V CB -0.221 31.598 31.823 -0.007 0.000 0.748 159 V HN 0.774 nan 8.190 nan 0.000 0.474 160 T N -3.977 110.573 114.554 -0.006 0.000 2.958 160 T HA 0.527 4.876 4.350 -0.002 0.000 0.256 160 T C 0.550 175.246 174.700 -0.006 0.000 0.983 160 T CA 0.903 63.000 62.100 -0.006 0.000 0.924 160 T CB 0.397 69.259 68.868 -0.009 0.000 1.136 160 T HN 0.623 nan 8.240 nan 0.000 0.506 161 Q N 0.079 119.877 119.800 -0.004 0.000 2.854 161 Q HA 0.909 5.248 4.340 -0.002 0.000 0.331 161 Q C -0.154 175.846 176.000 -0.000 0.000 0.859 161 Q CA -0.339 55.462 55.803 -0.003 0.000 0.787 161 Q CB 0.733 29.469 28.738 -0.004 0.000 1.410 161 Q HN 1.840 nan 8.270 nan 0.000 0.510 169 D N -0.457 119.937 120.400 -0.011 0.000 2.424 169 D HA 0.604 5.242 4.640 -0.002 0.000 0.220 169 D C 0.595 176.889 176.300 -0.010 0.000 1.150 169 D CA 0.578 54.572 54.000 -0.010 0.000 0.831 169 D CB 0.049 nan 40.800 nan 0.000 0.981 169 D HN 0.653 nan 8.370 nan 0.000 0.500 170 A N -0.233 122.581 122.820 -0.010 0.000 2.425 170 A HA 0.630 4.949 4.320 -0.002 0.000 0.242 170 A C 0.765 178.345 177.584 -0.006 0.000 1.077 170 A CA 0.701 52.733 52.037 -0.009 0.000 0.781 170 A CB 0.764 19.759 19.000 -0.009 0.000 1.020 170 A HN 0.475 nan 8.150 nan 0.000 0.494 171 T N -0.930 113.621 114.554 -0.005 0.000 2.731 171 T HA 0.680 5.028 4.350 -0.002 0.000 0.300 171 T C -0.528 174.170 174.700 -0.003 0.000 1.283 171 T CA 0.171 62.269 62.100 -0.003 0.000 1.005 171 T CB 1.116 69.983 68.868 -0.001 0.000 1.420 171 T HN 1.988 nan 8.240 nan 0.000 0.503 172 S N 0.507 116.206 115.700 -0.002 0.000 2.651 172 S HA 0.548 5.017 4.470 -0.002 0.000 0.279 172 S C 0.948 175.547 174.600 -0.001 0.000 1.148 172 S CA -0.952 57.247 58.200 -0.002 0.000 0.837 172 S CB 0.920 64.119 63.200 -0.003 0.000 1.138 172 S HN 0.667 nan 8.310 nan 0.000 0.478 173 L N 0.507 121.729 121.223 -0.001 0.000 2.201 173 L HA -0.016 4.322 4.340 -0.002 0.000 0.212 173 L C 2.285 179.155 176.870 -0.001 0.000 1.105 173 L CA 0.812 55.652 54.840 -0.000 0.000 0.775 173 L CB -0.557 41.502 42.059 -0.001 0.000 0.913 173 L HN 0.704 nan 8.230 nan 0.000 0.440 174 L N 0.070 121.292 121.223 -0.002 0.000 2.093 174 L HA -0.188 4.151 4.340 -0.002 0.000 0.208 174 L C 1.598 178.467 176.870 -0.001 0.000 1.085 174 L CA 1.765 56.604 54.840 -0.002 0.000 0.755 174 L CB -0.357 41.700 42.059 -0.003 0.000 0.904 174 L HN 0.206 nan 8.230 nan 0.000 0.435 175 D N -0.953 119.446 120.400 -0.001 0.000 2.363 175 D HA -0.025 4.614 4.640 -0.002 0.000 0.226 175 D C 1.661 177.961 176.300 0.001 0.000 1.020 175 D CA 0.780 54.780 54.000 -0.000 0.000 0.892 175 D CB 0.034 40.834 40.800 -0.000 0.000 0.900 175 D HN 0.358 nan 8.370 nan 0.000 0.531 176 L N -1.276 119.948 121.223 0.001 0.000 2.766 176 L HA 0.351 4.689 4.340 -0.002 0.000 0.242 176 L C 1.508 178.379 176.870 0.002 0.000 1.136 176 L CA 0.134 54.975 54.840 0.002 0.000 0.933 176 L CB 0.574 42.635 42.059 0.003 0.000 1.241 176 L HN 0.162 nan 8.230 nan 0.000 0.522 177 G N -0.166 108.635 108.800 0.001 0.000 2.213 177 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.226 177 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.226 177 G C 0.307 175.207 174.900 0.001 0.000 0.992 177 G CA -0.104 44.996 45.100 0.001 0.000 0.632 177 G HN 0.016 nan 8.290 nan 0.000 0.511 178 V N 1.890 121.805 119.914 0.001 0.000 2.458 178 V HA 0.391 4.509 4.120 -0.002 0.000 0.287 178 V C 1.835 177.929 176.094 -0.000 0.000 1.009 178 V CA 1.113 63.413 62.300 0.001 0.000 1.091 178 V CB 0.520 32.344 31.823 0.001 0.000 0.960 178 V HN 0.873 nan 8.190 nan 0.000 0.476 179 A N 4.622 127.442 122.820 -0.001 0.000 1.897 179 A HA 0.379 4.698 4.320 -0.002 0.000 0.215 179 A C 1.507 179.089 177.584 -0.003 0.000 1.181 179 A CA 1.218 53.254 52.037 -0.002 0.000 0.620 179 A CB 0.017 19.017 19.000 -0.001 0.000 0.821 179 A HN 1.257 nan 8.150 nan 0.000 0.443 180 A N 0.372 123.190 122.820 -0.003 0.000 3.159 180 A HA 0.591 4.910 4.320 -0.002 0.000 0.330 180 A C -2.756 174.826 177.584 -0.004 0.000 1.032 180 A CA -1.189 50.846 52.037 -0.004 0.000 0.841 180 A CB -0.244 18.754 19.000 -0.003 0.000 1.093 180 A HN 0.207 nan 8.150 nan 0.000 0.478 181 P HA 0.166 nan 4.420 nan 0.000 0.267 181 P C -0.704 176.592 177.300 -0.005 0.000 1.205 181 P CA 0.268 63.366 63.100 -0.004 0.000 0.765 181 P CB 0.695 32.393 31.700 -0.004 0.000 0.828 182 D N 2.562 122.959 120.400 -0.004 0.000 2.359 182 D HA 0.106 4.745 4.640 -0.002 0.000 0.230 182 D C 0.951 177.246 176.300 -0.008 0.000 1.118 182 D CA -0.360 53.637 54.000 -0.006 0.000 0.844 182 D CB 0.604 41.402 40.800 -0.004 0.000 1.059 182 D HN 0.126 nan 8.370 nan 0.000 0.493 183 R N 2.611 123.105 120.500 -0.011 0.000 2.152 183 R HA -0.047 4.291 4.340 -0.002 0.000 0.232 183 R C 1.654 177.945 176.300 -0.017 0.000 1.117 183 R CA 0.794 56.886 56.100 -0.014 0.000 0.981 183 R CB 0.159 30.449 30.300 -0.016 0.000 0.870 183 R HN 0.505 nan 8.270 nan 0.000 0.451 184 N N 0.274 118.965 118.700 -0.015 0.000 2.142 184 N HA -0.125 4.613 4.740 -0.002 0.000 0.186 184 N C 1.635 177.138 175.510 -0.011 0.000 1.023 184 N CA 0.934 53.975 53.050 -0.015 0.000 0.852 184 N CB 0.003 38.483 38.487 -0.013 0.000 0.998 184 N HN 0.219 nan 8.380 nan 0.000 0.424 185 R N 0.908 121.404 120.500 -0.006 0.000 2.075 185 R HA 0.019 4.357 4.340 -0.002 0.000 0.232 185 R C 2.320 178.619 176.300 -0.001 0.000 1.126 185 R CA 0.719 56.818 56.100 -0.001 0.000 0.963 185 R CB -0.398 29.903 30.300 0.001 0.000 0.858 185 R HN 0.270 nan 8.270 nan 0.000 0.435 186 I N 0.534 121.101 120.570 -0.004 0.000 2.226 186 I HA -0.230 3.939 4.170 -0.002 0.000 0.245 186 I C 2.624 178.734 176.117 -0.011 0.000 1.100 186 I CA 1.278 62.576 61.300 -0.004 0.000 1.374 186 I CB -0.468 37.529 38.000 -0.006 0.000 1.057 186 I HN 0.114 nan 8.210 nan 0.000 0.413 187 A N -0.288 122.519 122.820 -0.023 0.000 1.933 187 A HA -0.215 4.103 4.320 -0.002 0.000 0.218 187 A C 2.494 180.053 177.584 -0.040 0.000 1.175 187 A CA 2.155 54.167 52.037 -0.041 0.000 0.628 187 A CB -0.696 18.273 19.000 -0.052 0.000 0.814 187 A HN 0.379 nan 8.150 nan 0.000 0.444 188 S N -1.062 114.625 115.700 -0.021 0.000 2.355 188 S HA -0.135 4.334 4.470 -0.002 0.000 0.222 188 S C 2.237 176.848 174.600 0.019 0.000 1.031 188 S CA 1.212 59.408 58.200 -0.006 0.000 0.993 188 S CB -0.328 62.875 63.200 0.004 0.000 0.859 188 S HN 0.587 nan 8.310 nan 0.000 0.453 189 R N 0.421 120.933 120.500 0.021 0.000 2.115 189 R HA 0.064 4.403 4.340 -0.002 0.000 0.230 189 R C 2.367 178.693 176.300 0.045 0.000 1.111 189 R CA 0.893 57.014 56.100 0.036 0.000 0.976 189 R CB -0.470 29.848 30.300 0.029 0.000 0.870 189 R HN 0.433 nan 8.270 nan 0.000 0.445 190 L N 0.923 122.161 121.223 0.024 0.000 2.046 190 L HA -0.191 4.147 4.340 -0.002 0.000 0.208 190 L C 2.124 179.024 176.870 0.049 0.000 1.077 190 L CA 1.369 56.224 54.840 0.026 0.000 0.747 190 L CB -0.208 41.847 42.059 -0.007 0.000 0.896 190 L HN 0.290 nan 8.230 nan 0.000 0.432 191 L N -0.743 120.494 121.223 0.023 0.000 2.093 191 L HA -0.215 4.124 4.340 -0.002 0.000 0.208 191 L C 2.767 179.831 176.870 0.323 0.000 1.085 191 L CA 1.125 56.009 54.840 0.074 0.000 0.755 191 L CB -0.446 41.526 42.059 -0.145 0.000 0.904 191 L HN 0.262 nan 8.230 nan 0.000 0.435 192 R N -0.439 120.186 120.500 0.208 0.000 2.092 192 R HA -0.114 4.224 4.340 -0.002 0.000 0.231 192 R C 2.216 178.612 176.300 0.160 0.000 1.119 192 R CA 0.863 57.081 56.100 0.196 0.000 0.970 192 R CB -0.133 30.238 30.300 0.118 0.000 0.864 192 R HN 0.300 nan 8.270 nan 0.000 0.440 193 E N 0.787 121.066 120.200 0.132 0.000 2.072 193 E HA -0.155 4.194 4.350 -0.002 0.000 0.191 193 E C 1.977 178.660 176.600 0.137 0.000 0.985 193 E CA 0.752 57.220 56.400 0.113 0.000 0.801 193 E CB -0.172 29.582 29.700 0.089 0.000 0.750 193 E HN 0.113 nan 8.360 nan 0.000 0.452 194 L N 1.863 123.196 121.223 0.182 0.000 2.046 194 L HA -0.150 4.188 4.340 -0.002 0.000 0.208 194 L C 2.238 179.254 176.870 0.242 0.000 1.077 194 L CA 1.803 56.775 54.840 0.220 0.000 0.747 194 L CB -0.542 41.686 42.059 0.282 0.000 0.896 194 L HN 0.118 nan 8.230 nan 0.000 0.432 195 E N -0.828 119.543 120.200 0.286 0.000 2.077 195 E HA -0.232 4.117 4.350 -0.002 0.000 0.193 195 E C 2.050 178.646 176.600 -0.006 0.000 0.989 195 E CA 1.124 57.529 56.400 0.009 0.000 0.800 195 E CB -0.027 29.602 29.700 -0.118 0.000 0.746 195 E HN 0.575 nan 8.360 nan 0.000 0.452 196 A N 1.441 124.291 122.820 0.050 0.000 1.902 196 A HA -0.156 4.162 4.320 -0.002 0.000 0.217 196 A C 2.134 179.756 177.584 0.063 0.000 1.181 196 A CA 1.085 53.148 52.037 0.043 0.000 0.623 196 A CB -0.346 18.687 19.000 0.054 0.000 0.818 196 A HN 0.104 nan 8.150 nan 0.000 0.443 197 R N -0.447 120.107 120.500 0.090 0.000 2.092 197 R HA 0.024 4.363 4.340 -0.002 0.000 0.231 197 R C 1.915 178.304 176.300 0.148 0.000 1.119 197 R CA 1.183 57.352 56.100 0.114 0.000 0.970 197 R CB -0.916 29.457 30.300 0.122 0.000 0.864 197 R HN 0.634 nan 8.270 nan 0.000 0.440 198 I N 0.592 121.238 120.570 0.127 0.000 2.394 198 I HA -0.225 3.944 4.170 -0.002 0.000 0.251 198 I C 2.227 178.503 176.117 0.264 0.000 1.136 198 I CA 1.035 62.449 61.300 0.191 0.000 1.425 198 I CB -0.143 37.909 38.000 0.087 0.000 1.079 198 I HN 0.038 nan 8.210 nan 0.000 0.425 199 I N 0.056 120.696 120.570 0.117 0.000 2.252 199 I HA -0.300 3.869 4.170 -0.002 0.000 0.245 199 I C 2.466 178.622 176.117 0.065 0.000 1.102 199 I CA 1.392 62.732 61.300 0.066 0.000 1.385 199 I CB -0.368 37.636 38.000 0.006 0.000 1.064 199 I HN 0.319 nan 8.210 nan 0.000 0.414 200 Q N -0.398 119.451 119.800 0.082 0.000 2.084 200 Q HA -0.269 4.069 4.340 -0.002 0.000 0.202 200 Q C 2.027 178.068 176.000 0.068 0.000 0.978 200 Q CA 2.074 57.908 55.803 0.052 0.000 0.844 200 Q CB -0.313 28.456 28.738 0.053 0.000 0.898 200 Q HN 0.646 nan 8.270 nan 0.000 0.426 201 W N 1.538 122.819 121.300 -0.032 0.000 2.358 201 W HA -0.127 4.530 4.660 -0.004 0.000 0.303 201 W C 2.032 178.547 176.519 -0.008 0.000 1.208 201 W CA 1.112 58.443 57.345 -0.023 0.000 1.274 201 W CB -0.080 29.406 29.460 0.044 0.000 1.138 201 W HN -0.107 nan 8.180 nan 0.000 0.515 202 R N 0.132 120.514 120.500 -0.198 0.000 2.120 202 R HA -0.130 4.209 4.340 -0.002 0.000 0.234 202 R C 1.226 177.306 176.300 -0.367 0.000 1.123 202 R CA 1.469 57.251 56.100 -0.530 0.000 0.975 202 R CB -0.422 29.782 30.300 -0.160 0.000 0.866 202 R HN 0.237 nan 8.270 nan 0.000 0.446 203 N N -0.481 118.094 118.700 -0.209 0.000 2.230 203 N HA 0.073 4.812 4.740 -0.002 0.000 0.202 203 N C -0.247 175.171 175.510 -0.154 0.000 1.119 203 N CA 0.714 53.672 53.050 -0.155 0.000 0.851 203 N CB 1.413 39.845 38.487 -0.092 0.000 0.990 203 N HN 0.149 nan 8.380 nan 0.000 0.497 204 A N 1.022 123.722 122.820 -0.200 0.000 2.791 204 A HA -0.222 4.096 4.320 -0.002 0.000 0.292 204 A C 0.106 177.606 177.584 -0.141 0.000 1.487 204 A CA 0.323 52.251 52.037 -0.182 0.000 0.760 204 A CB -2.325 16.581 19.000 -0.157 0.000 1.031 204 A HN 0.376 nan 8.150 nan 0.000 0.503 205 N N -0.163 118.465 118.700 -0.121 0.000 2.470 205 N HA 0.383 5.121 4.740 -0.002 0.000 0.268 205 N C -1.270 174.172 175.510 -0.114 0.000 1.136 205 N CA -1.668 51.328 53.050 -0.090 0.000 0.961 205 N CB 1.022 39.476 38.487 -0.055 0.000 1.067 205 N HN 0.140 nan 8.380 nan 0.000 0.468 206 P HA -0.060 nan 4.420 nan 0.000 0.225 206 P C 0.940 178.197 177.300 -0.071 0.000 1.148 206 P CA 0.689 63.733 63.100 -0.094 0.000 0.779 206 P CB 0.487 32.154 31.700 -0.056 0.000 0.780 207 Q N -0.525 119.247 119.800 -0.046 0.000 2.170 207 Q HA -0.131 4.208 4.340 -0.002 0.000 0.203 207 Q C 1.888 177.884 176.000 -0.006 0.000 0.976 207 Q CA 1.122 56.917 55.803 -0.013 0.000 0.858 207 Q CB -1.237 27.501 28.738 0.000 0.000 0.907 207 Q HN 0.192 nan 8.270 nan 0.000 0.433 208 L N -0.233 120.959 121.223 -0.052 0.000 2.046 208 L HA -0.078 4.261 4.340 -0.002 0.000 0.208 208 L C 1.959 178.773 176.870 -0.094 0.000 1.077 208 L CA 2.029 56.837 54.840 -0.053 0.000 0.747 208 L CB -0.757 41.235 42.059 -0.111 0.000 0.896 208 L HN 0.177 nan 8.230 nan 0.000 0.432 209 A N -0.593 122.059 122.820 -0.280 0.000 1.902 209 A HA -0.092 4.226 4.320 -0.002 0.000 0.217 209 A C 2.421 180.101 177.584 0.160 0.000 1.181 209 A CA 1.699 53.650 52.037 -0.142 0.000 0.623 209 A CB -1.105 17.775 19.000 -0.199 0.000 0.818 209 A HN 0.559 nan 8.150 nan 0.000 0.443 210 A N -0.091 122.780 122.820 0.085 0.000 1.898 210 A HA -0.138 4.181 4.320 -0.002 0.000 0.216 210 A C 1.779 179.437 177.584 0.123 0.000 1.181 210 A CA 1.841 53.939 52.037 0.102 0.000 0.620 210 A CB -0.562 18.470 19.000 0.054 0.000 0.819 210 A HN 0.423 nan 8.150 nan 0.000 0.442 211 D N -1.740 118.734 120.400 0.123 0.000 2.144 211 D HA -0.141 4.498 4.640 -0.002 0.000 0.199 211 D C 1.642 178.046 176.300 0.173 0.000 0.984 211 D CA 1.315 55.390 54.000 0.125 0.000 0.834 211 D CB -0.400 40.469 40.800 0.116 0.000 0.955 211 D HN 0.584 nan 8.370 nan 0.000 0.465 212 Y N 1.525 121.932 120.300 0.178 0.000 2.181 212 Y HA -0.154 4.394 4.550 -0.003 0.000 0.288 212 Y C 2.251 178.268 175.900 0.196 0.000 1.146 212 Y CA 1.590 59.834 58.100 0.239 0.000 1.164 212 Y CB 0.056 38.779 38.460 0.438 0.000 0.982 212 Y HN -0.162 nan 8.280 nan 0.000 0.515 213 R N -0.321 120.338 120.500 0.264 0.000 2.120 213 R HA -0.132 4.206 4.340 -0.002 0.000 0.234 213 R C 2.468 178.785 176.300 0.029 0.000 1.123 213 R CA 0.976 57.162 56.100 0.143 0.000 0.975 213 R CB -0.523 29.885 30.300 0.180 0.000 0.866 213 R HN 0.414 nan 8.270 nan 0.000 0.446 214 A N 1.314 124.154 122.820 0.032 0.000 1.933 214 A HA -0.131 4.187 4.320 -0.002 0.000 0.218 214 A C 1.642 179.210 177.584 -0.028 0.000 1.175 214 A CA 1.142 53.184 52.037 0.010 0.000 0.628 214 A CB -0.132 18.883 19.000 0.025 0.000 0.814 214 A HN 0.189 nan 8.150 nan 0.000 0.444 215 R N -0.249 120.207 120.500 -0.075 0.000 2.427 215 R HA 0.193 4.532 4.340 -0.002 0.000 0.262 215 R C 0.119 176.320 176.300 -0.165 0.000 0.943 215 R CA 0.112 56.153 56.100 -0.098 0.000 1.081 215 R CB -0.105 30.146 30.300 -0.081 0.000 1.166 215 R HN 0.311 nan 8.270 nan 0.000 0.534 216 S N 1.329 116.914 115.700 -0.191 0.000 2.481 216 S HA 0.216 4.684 4.470 -0.002 0.000 0.276 216 S C 1.277 175.841 174.600 -0.060 0.000 1.247 216 S CA -0.435 57.657 58.200 -0.181 0.000 1.053 216 S CB 0.527 63.653 63.200 -0.124 0.000 0.925 216 S HN 0.269 nan 8.310 nan 0.000 0.491 217 L N 4.184 125.405 121.223 -0.002 0.000 2.375 217 L HA 0.015 4.354 4.340 -0.002 0.000 0.215 217 L C 2.338 179.172 176.870 -0.060 0.000 1.108 217 L CA 0.599 55.454 54.840 0.024 0.000 0.830 217 L CB -0.531 41.613 42.059 0.142 0.000 0.959 217 L HN 0.598 nan 8.230 nan 0.000 0.457 218 T N 0.195 114.755 114.554 0.010 0.000 2.857 218 T HA 0.022 4.370 4.350 -0.002 0.000 0.266 218 T C 1.017 175.651 174.700 -0.110 0.000 1.048 218 T CA 0.580 62.637 62.100 -0.071 0.000 1.139 218 T CB -0.073 68.920 68.868 0.208 0.000 0.874 218 T HN 0.030 nan 8.240 nan 0.000 0.455 219 I N 1.119 121.656 120.570 -0.055 0.000 2.556 219 I HA 0.311 4.479 4.170 -0.002 0.000 0.284 219 I C 1.538 177.612 176.117 -0.071 0.000 1.114 219 I CA 0.598 61.864 61.300 -0.056 0.000 1.418 219 I CB 0.724 38.713 38.000 -0.017 0.000 1.394 219 I HN 0.458 nan 8.210 nan 0.000 0.552 220 G N 3.622 112.380 108.800 -0.071 0.000 2.199 220 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.254 220 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.254 220 G C 0.386 175.235 174.900 -0.084 0.000 0.982 220 G CA 0.190 45.252 45.100 -0.063 0.000 0.632 220 G HN 0.586 nan 8.290 nan 0.000 0.529 221 S N -0.275 115.349 115.700 -0.127 0.000 2.646 221 S HA 0.666 5.134 4.470 -0.002 0.000 0.276 221 S C 0.464 174.994 174.600 -0.116 0.000 1.222 221 S CA -0.591 57.510 58.200 -0.165 0.000 1.014 221 S CB 1.058 64.049 63.200 -0.348 0.000 0.991 221 S HN 0.515 nan 8.310 nan 0.000 0.533 222 R N 2.324 122.773 120.500 -0.084 0.000 2.265 222 R HA 0.547 4.886 4.340 -0.002 0.000 0.319 222 R C -0.851 175.435 176.300 -0.023 0.000 1.006 222 R CA -0.414 55.659 56.100 -0.045 0.000 0.880 222 R CB 0.507 30.792 30.300 -0.025 0.000 1.077 222 R HN 0.525 nan 8.270 nan 0.000 0.454 223 V N 1.192 121.102 119.914 -0.006 0.000 3.001 223 V HA 0.657 4.776 4.120 -0.002 0.000 0.314 223 V C -0.653 175.467 176.094 0.042 0.000 1.099 223 V CA -1.211 61.115 62.300 0.043 0.000 0.989 223 V CB 1.973 33.830 31.823 0.057 0.000 1.040 223 V HN 0.757 nan 8.190 nan 0.000 0.434 224 R N 1.394 121.933 120.500 0.065 0.000 2.387 224 R HA 0.738 5.077 4.340 -0.002 0.000 0.314 224 R C -1.667 174.673 176.300 0.066 0.000 0.958 224 R CA -0.492 55.639 56.100 0.051 0.000 0.846 224 R CB 2.018 32.346 30.300 0.045 0.000 1.147 224 R HN 0.764 nan 8.270 nan 0.000 0.447 225 V N 4.611 124.558 119.914 0.055 0.000 2.370 225 V HA 0.217 4.336 4.120 -0.002 0.000 0.279 225 V C -0.046 176.083 176.094 0.059 0.000 1.029 225 V CA -0.568 61.776 62.300 0.073 0.000 0.870 225 V CB 1.459 33.319 31.823 0.062 0.000 0.984 225 V HN 0.726 nan 8.190 nan 0.000 0.451 226 E N 5.791 126.029 120.200 0.064 0.000 2.089 226 E HA 0.476 4.825 4.350 -0.002 0.000 0.284 226 E C -0.953 175.675 176.600 0.047 0.000 1.023 226 E CA -0.309 56.118 56.400 0.046 0.000 0.819 226 E CB 1.532 31.255 29.700 0.038 0.000 1.076 226 E HN 0.512 nan 8.360 nan 0.000 0.396 227 L N 4.019 125.264 121.223 0.038 0.000 2.352 227 L HA 0.470 4.809 4.340 -0.002 0.000 0.269 227 L C -2.132 174.753 176.870 0.025 0.000 1.034 227 L CA -2.361 52.500 54.840 0.035 0.000 0.806 227 L CB 0.739 42.817 42.059 0.033 0.000 1.244 227 L HN 0.227 nan 8.230 nan 0.000 0.447 228 P HA 0.096 nan 4.420 nan 0.000 0.270 228 P C 0.326 177.635 177.300 0.014 0.000 1.223 228 P CA 0.285 63.395 63.100 0.016 0.000 0.785 228 P CB 0.546 32.255 31.700 0.015 0.000 0.923 229 G N 1.308 110.115 108.800 0.011 0.000 2.273 229 G HA2 -0.039 3.920 3.960 -0.002 0.000 0.280 229 G HA3 -0.039 3.920 3.960 -0.002 0.000 0.280 229 G C 0.787 175.693 174.900 0.010 0.000 1.047 229 G CA 0.593 45.698 45.100 0.009 0.000 0.869 229 G HN 1.070 nan 8.290 nan 0.000 0.502 230 G N -1.837 106.969 108.800 0.011 0.000 2.176 230 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.252 230 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.252 230 G C 0.085 174.992 174.900 0.012 0.000 1.024 230 G CA 0.929 46.035 45.100 0.010 0.000 0.755 230 G HN 1.203 nan 8.290 nan 0.000 0.507 231 Q N 0.062 119.871 119.800 0.014 0.000 2.333 231 Q HA 0.554 4.893 4.340 -0.002 0.000 0.267 231 Q C -1.251 174.760 176.000 0.018 0.000 1.012 231 Q CA -0.810 55.002 55.803 0.015 0.000 0.824 231 Q CB 1.782 30.528 28.738 0.014 0.000 1.290 231 Q HN 0.269 nan 8.270 nan 0.000 0.449 232 D N 1.307 121.717 120.400 0.017 0.000 2.619 232 D HA 0.514 5.153 4.640 -0.002 0.000 0.241 232 D C -1.084 175.226 176.300 0.017 0.000 1.087 232 D CA -0.444 53.568 54.000 0.020 0.000 0.851 232 D CB 2.472 43.283 40.800 0.019 0.000 1.474 232 D HN 0.128 nan 8.370 nan 0.000 0.478 233 V N 1.251 121.176 119.914 0.019 0.000 2.531 233 V HA 0.446 4.564 4.120 -0.002 0.000 0.301 233 V C -0.117 175.983 176.094 0.010 0.000 1.034 233 V CA -0.858 61.449 62.300 0.011 0.000 0.865 233 V CB 1.969 33.796 31.823 0.007 0.000 0.995 233 V HN 0.295 nan 8.190 nan 0.000 0.424 234 V N 3.420 123.337 119.914 0.006 0.000 2.483 234 V HA 1.025 5.143 4.120 -0.002 0.000 0.295 234 V C 0.634 176.725 176.094 -0.006 0.000 1.035 234 V CA 0.290 62.593 62.300 0.004 0.000 0.896 234 V CB 1.232 33.059 31.823 0.007 0.000 0.986 234 V HN 1.157 nan 8.190 nan 0.000 0.447 235 G N 3.396 112.189 108.800 -0.011 0.000 2.489 235 G HA2 0.611 4.570 3.960 -0.002 0.000 0.305 235 G HA3 0.611 4.570 3.960 -0.002 0.000 0.305 235 G C -1.825 173.057 174.900 -0.031 0.000 1.311 235 G CA -0.753 44.334 45.100 -0.022 0.000 0.813 235 G HN 0.541 nan 8.290 nan 0.000 0.480 236 I N 1.244 121.790 120.570 -0.040 0.000 2.354 236 I HA 0.546 4.714 4.170 -0.002 0.000 0.292 236 I C 0.688 176.766 176.117 -0.066 0.000 0.989 236 I CA -0.757 60.513 61.300 -0.049 0.000 1.188 236 I CB 2.015 39.990 38.000 -0.041 0.000 1.342 236 I HN 0.616 nan 8.210 nan 0.000 0.457 237 A N 6.913 129.682 122.820 -0.083 0.000 2.376 237 A HA 0.328 4.646 4.320 -0.002 0.000 0.298 237 A C 1.166 178.698 177.584 -0.087 0.000 1.271 237 A CA -0.391 51.580 52.037 -0.109 0.000 0.926 237 A CB 0.068 18.990 19.000 -0.131 0.000 1.141 237 A HN 0.727 nan 8.150 nan 0.000 0.539 238 R N 1.052 121.505 120.500 -0.077 0.000 2.075 238 R HA 0.054 4.393 4.340 -0.002 0.000 0.226 238 R C -0.113 176.162 176.300 -0.041 0.000 1.114 238 R CA 1.022 57.091 56.100 -0.052 0.000 0.972 238 R CB -0.158 30.118 30.300 -0.041 0.000 0.869 238 R HN 0.818 nan 8.270 nan 0.000 0.437 239 D N -1.899 118.466 120.400 -0.058 0.000 2.692 239 D HA 0.351 4.990 4.640 -0.002 0.000 0.303 239 D C -1.376 174.887 176.300 -0.062 0.000 1.278 239 D CA -0.584 53.401 54.000 -0.025 0.000 0.852 239 D CB 1.540 42.342 40.800 0.003 0.000 1.375 239 D HN -0.280 nan 8.370 nan 0.000 0.453 240 I N 2.073 122.651 120.570 0.014 0.000 2.465 240 I HA 0.236 4.405 4.170 -0.002 0.000 0.291 240 I C 0.099 176.262 176.117 0.077 0.000 1.014 240 I CA -0.636 60.657 61.300 -0.011 0.000 1.093 240 I CB 1.339 39.381 38.000 0.071 0.000 1.267 240 I HN 0.444 nan 8.210 nan 0.000 0.431 241 D N 4.835 125.260 120.400 0.042 0.000 2.447 241 D HA -0.002 4.636 4.640 -0.002 0.000 0.265 241 D C 0.639 177.084 176.300 0.241 0.000 1.250 241 D CA -0.231 53.832 54.000 0.106 0.000 1.046 241 D CB 0.636 41.466 40.800 0.050 0.000 1.095 241 D HN 0.587 nan 8.370 nan 0.000 0.555 242 D N -1.366 119.176 120.400 0.236 0.000 2.358 242 D HA -0.135 4.503 4.640 -0.002 0.000 0.241 242 D C 0.141 176.683 176.300 0.402 0.000 1.094 242 D CA 0.346 54.551 54.000 0.341 0.000 0.907 242 D CB -0.163 40.745 40.800 0.181 0.000 0.893 242 D HN 0.492 nan 8.370 nan 0.000 0.528 243 Q N -0.407 119.553 119.800 0.267 0.000 2.084 243 Q HA 0.291 4.630 4.340 -0.002 0.000 0.230 243 Q C 0.748 176.723 176.000 -0.042 0.000 0.806 243 Q CA -0.027 55.875 55.803 0.165 0.000 1.083 243 Q CB 1.176 29.975 28.738 0.102 0.000 1.208 243 Q HN 0.327 nan 8.270 nan 0.000 0.462 244 G N 2.201 110.778 108.800 -0.371 0.000 2.203 244 G HA2 -0.336 3.622 3.960 -0.002 0.000 0.263 244 G HA3 -0.336 3.622 3.960 -0.002 0.000 0.263 244 G C 0.491 175.384 174.900 -0.012 0.000 1.012 244 G CA 0.687 45.383 45.100 -0.672 0.000 0.749 244 G HN 0.265 nan 8.290 nan 0.000 0.512 245 R N -1.412 119.090 120.500 0.003 0.000 2.900 245 R HA 0.707 5.046 4.340 -0.002 0.000 0.198 245 R C -0.008 176.069 176.300 -0.372 0.000 1.053 245 R CA -0.105 56.008 56.100 0.022 0.000 1.132 245 R CB 0.184 30.472 30.300 -0.020 0.000 1.041 245 R HN 0.523 nan 8.270 nan 0.000 0.499 246 L N 0.584 121.503 121.223 -0.505 0.000 2.564 246 L HA 0.220 4.558 4.340 -0.002 0.000 0.259 246 L C -1.403 175.259 176.870 -0.347 0.000 1.101 246 L CA -0.233 54.216 54.840 -0.652 0.000 0.900 246 L CB 0.770 42.060 42.059 -1.283 0.000 1.110 246 L HN 0.628 nan 8.230 nan 0.000 0.468 247 C N 4.558 123.735 119.300 -0.205 0.000 2.638 247 C HA 0.364 4.822 4.460 -0.002 0.000 0.410 247 C C 0.394 175.312 174.990 -0.120 0.000 1.404 247 C CA -0.675 58.268 59.018 -0.125 0.000 1.651 247 C CB -1.338 26.360 27.740 -0.071 0.000 2.495 247 C HN 0.479 nan 8.230 nan 0.000 0.606 248 L N 3.163 124.325 121.223 -0.102 0.000 2.346 248 L HA 0.374 4.712 4.340 -0.002 0.000 0.276 248 L C -0.228 176.610 176.870 -0.053 0.000 1.006 248 L CA 0.020 54.810 54.840 -0.083 0.000 0.817 248 L CB 1.657 43.664 42.059 -0.085 0.000 1.272 248 L HN 0.616 nan 8.230 nan 0.000 0.421 249 D N 2.218 122.592 120.400 -0.044 0.000 2.411 249 D HA 0.256 4.894 4.640 -0.002 0.000 0.225 249 D C -0.514 175.771 176.300 -0.026 0.000 1.156 249 D CA -0.159 53.823 54.000 -0.031 0.000 0.874 249 D CB 0.946 41.730 40.800 -0.027 0.000 1.034 249 D HN 0.136 nan 8.370 nan 0.000 0.502 250 V N 4.122 124.023 119.914 -0.022 0.000 2.270 250 V HA 0.434 4.553 4.120 -0.002 0.000 0.263 250 V C 1.406 177.492 176.094 -0.013 0.000 1.066 250 V CA -0.205 62.085 62.300 -0.017 0.000 0.857 250 V CB 0.461 32.275 31.823 -0.015 0.000 1.099 250 V HN 0.856 nan 8.190 nan 0.000 0.476 251 G N 3.472 112.265 108.800 -0.012 0.000 2.249 251 G HA2 -0.002 3.957 3.960 -0.002 0.000 0.273 251 G HA3 -0.002 3.957 3.960 -0.002 0.000 0.273 251 G C 1.114 176.009 174.900 -0.009 0.000 1.036 251 G CA 0.573 45.667 45.100 -0.009 0.000 0.824 251 G HN 2.060 nan 8.290 nan 0.000 0.504 252 G N -1.506 107.287 108.800 -0.011 0.000 2.195 252 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.246 252 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.246 252 G C 0.448 175.342 174.900 -0.011 0.000 0.984 252 G CA 1.058 46.152 45.100 -0.010 0.000 0.633 252 G HN 1.268 nan 8.290 nan 0.000 0.525 253 R N 0.852 121.345 120.500 -0.011 0.000 2.404 253 R HA 0.610 4.949 4.340 -0.002 0.000 0.291 253 R C -0.340 175.951 176.300 -0.016 0.000 1.025 253 R CA 0.207 56.300 56.100 -0.012 0.000 0.991 253 R CB 0.700 30.994 30.300 -0.010 0.000 1.053 253 R HN 0.068 nan 8.270 nan 0.000 0.479 254 T N 3.341 117.885 114.554 -0.016 0.000 2.794 254 T HA 0.411 4.760 4.350 -0.002 0.000 0.280 254 T C -1.027 173.659 174.700 -0.023 0.000 0.987 254 T CA -0.471 61.616 62.100 -0.022 0.000 0.993 254 T CB 1.300 70.155 68.868 -0.020 0.000 0.939 254 T HN 0.233 nan 8.240 nan 0.000 0.449 255 V N 4.331 124.226 119.914 -0.032 0.000 2.540 255 V HA 0.503 4.622 4.120 -0.002 0.000 0.302 255 V C -0.333 175.733 176.094 -0.047 0.000 1.035 255 V CA -0.758 61.523 62.300 -0.031 0.000 0.873 255 V CB 2.050 33.857 31.823 -0.027 0.000 0.992 255 V HN 0.679 nan 8.190 nan 0.000 0.428 256 V N 5.528 125.419 119.914 -0.039 0.000 2.417 256 V HA 0.617 4.735 4.120 -0.002 0.000 0.291 256 V C -0.175 175.897 176.094 -0.037 0.000 1.024 256 V CA -0.614 61.654 62.300 -0.053 0.000 0.861 256 V CB 1.808 33.611 31.823 -0.033 0.000 0.985 256 V HN 0.739 nan 8.190 nan 0.000 0.436 257 V N 1.992 121.871 119.914 -0.059 0.000 2.628 257 V HA 0.860 4.978 4.120 -0.002 0.000 0.306 257 V C 0.190 176.348 176.094 0.108 0.000 1.045 257 V CA -0.520 61.787 62.300 0.013 0.000 0.905 257 V CB 1.707 33.545 31.823 0.025 0.000 0.997 257 V HN 0.912 nan 8.190 nan 0.000 0.436 258 S N 3.424 119.218 115.700 0.157 0.000 2.632 258 S HA 0.752 5.221 4.470 -0.002 0.000 0.267 258 S C 0.605 175.386 174.600 0.302 0.000 1.276 258 S CA -0.111 58.220 58.200 0.218 0.000 0.998 258 S CB 1.144 64.409 63.200 0.108 0.000 0.953 258 S HN 2.288 nan 8.310 nan 0.000 0.547 259 A N 1.076 123.990 122.820 0.157 0.000 2.580 259 A HA 0.501 4.820 4.320 -0.002 0.000 0.244 259 A C 0.811 178.403 177.584 0.014 0.000 1.045 259 A CA 0.455 52.425 52.037 -0.111 0.000 0.761 259 A CB -1.185 17.637 19.000 -0.296 0.000 0.962 259 A HN 1.492 nan 8.150 nan 0.000 0.512 260 G N 0.830 109.674 108.800 0.074 0.000 2.827 260 G HA2 0.563 4.522 3.960 -0.002 0.000 0.296 260 G HA3 0.563 4.522 3.960 -0.002 0.000 0.296 260 G C -1.624 173.333 174.900 0.095 0.000 1.362 260 G CA -0.535 44.637 45.100 0.120 0.000 0.809 260 G HN 0.560 nan 8.290 nan 0.000 0.522 261 D N 0.615 121.071 120.400 0.093 0.000 2.303 261 D HA 0.461 5.100 4.640 -0.002 0.000 0.236 261 D C -0.061 176.310 176.300 0.117 0.000 1.068 261 D CA -0.001 54.041 54.000 0.070 0.000 0.830 261 D CB 1.916 42.733 40.800 0.028 0.000 1.109 261 D HN 0.433 nan 8.370 nan 0.000 0.496 262 V N 0.646 120.648 119.914 0.147 0.000 2.715 262 V HA 0.731 4.850 4.120 -0.002 0.000 0.310 262 V C -0.679 175.480 176.094 0.108 0.000 1.054 262 V CA -0.568 61.832 62.300 0.167 0.000 0.928 262 V CB 1.997 33.985 31.823 0.275 0.000 1.007 262 V HN 0.174 nan 8.190 nan 0.000 0.437 263 V N 4.390 124.374 119.914 0.117 0.000 2.495 263 V HA 0.497 4.616 4.120 -0.002 0.000 0.298 263 V C -0.212 176.000 176.094 0.197 0.000 1.031 263 V CA -0.439 61.914 62.300 0.089 0.000 0.871 263 V CB 1.360 33.219 31.823 0.060 0.000 0.988 263 V HN 1.035 nan 8.190 nan 0.000 0.432 264 H N 4.378 123.470 119.070 0.035 0.000 2.620 264 H HA 0.383 4.938 4.556 -0.002 0.000 0.313 264 H C 0.329 175.668 175.328 0.019 0.000 1.075 264 H CA -0.584 55.481 56.048 0.028 0.000 1.397 264 H CB 1.678 31.457 29.762 0.028 0.000 1.446 264 H HN 0.531 nan 8.280 nan 0.000 0.493 265 L N 2.079 123.371 121.223 0.116 0.000 2.362 265 L HA 0.203 4.541 4.340 -0.002 0.000 0.204 265 L C 1.311 178.201 176.870 0.034 0.000 1.060 265 L CA 0.214 55.090 54.840 0.060 0.000 0.827 265 L CB 0.193 42.274 42.059 0.038 0.000 1.027 265 L HN 0.438 nan 8.230 nan 0.000 0.474 266 R N 0.000 120.503 120.500 0.005 0.000 2.786 266 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 266 R CA 0.000 56.093 56.100 -0.012 0.000 0.921 266 R CB 0.000 30.282 30.300 -0.030 0.000 0.687 266 R HN 0.000 nan 8.270 nan 0.000 0.535