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 2cgh_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 SAGDVVHL 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 -0.018 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 0.068 nan 4.420 nan 0.000 0.266 9 P C -2.291 174.999 177.300 -0.016 0.000 1.195 9 P CA -0.877 62.215 63.100 -0.015 0.000 0.768 9 P CB 0.079 31.772 31.700 -0.012 0.000 0.838 10 P HA 0.120 nan 4.420 nan 0.000 0.274 10 P C -0.178 177.112 177.300 -0.017 0.000 1.237 10 P CA -0.239 62.851 63.100 -0.017 0.000 0.793 10 P CB 0.682 32.372 31.700 -0.016 0.000 0.977 11 L N 1.228 122.439 121.223 -0.019 0.000 2.506 11 L HA 0.043 4.384 4.340 0.000 0.000 0.281 11 L C 1.118 177.976 176.870 -0.021 0.000 1.228 11 L CA 0.688 55.515 54.840 -0.022 0.000 0.850 11 L CB -0.195 41.847 42.059 -0.028 0.000 1.110 11 L HN 0.389 nan 8.230 nan 0.000 0.496 12 D N 1.974 122.362 120.400 -0.021 0.000 2.477 12 D HA 0.052 4.693 4.640 0.000 0.000 0.239 12 D C 0.765 177.053 176.300 -0.020 0.000 1.102 12 D CA -0.242 53.748 54.000 -0.018 0.000 0.901 12 D CB 0.957 41.749 40.800 -0.014 0.000 1.026 12 D HN 0.600 nan 8.370 nan 0.000 0.515 13 E N 2.797 122.983 120.200 -0.022 0.000 2.118 13 E HA -0.314 4.036 4.350 0.000 0.000 0.195 13 E C 2.053 178.641 176.600 -0.019 0.000 0.992 13 E CA 1.590 57.975 56.400 -0.025 0.000 0.804 13 E CB 0.332 30.017 29.700 -0.025 0.000 0.741 13 E HN 0.436 nan 8.360 nan 0.000 0.458 14 R N 0.594 121.086 120.500 -0.013 0.000 2.073 14 R HA -0.099 4.241 4.340 0.000 0.000 0.234 14 R C 2.338 178.634 176.300 -0.006 0.000 1.134 14 R CA 1.892 57.987 56.100 -0.008 0.000 0.952 14 R CB -1.728 28.569 30.300 -0.006 0.000 0.850 14 R HN 0.260 nan 8.270 nan 0.000 0.433 15 S N 0.059 115.755 115.700 -0.007 0.000 2.383 15 S HA -0.006 4.464 4.470 0.000 0.000 0.227 15 S C 2.173 176.770 174.600 -0.005 0.000 1.026 15 S CA 1.255 59.452 58.200 -0.004 0.000 0.981 15 S CB -0.280 62.917 63.200 -0.005 0.000 0.818 15 S HN 0.527 nan 8.310 nan 0.000 0.472 16 L N 0.711 121.925 121.223 -0.014 0.000 2.056 16 L HA -0.046 4.294 4.340 0.000 0.000 0.207 16 L C 2.951 179.814 176.870 -0.011 0.000 1.078 16 L CA 1.289 56.117 54.840 -0.020 0.000 0.749 16 L CB -0.424 41.609 42.059 -0.042 0.000 0.901 16 L HN 0.273 nan 8.230 nan 0.000 0.433 17 R N -0.125 120.370 120.500 -0.008 0.000 2.073 17 R HA -0.157 4.183 4.340 0.000 0.000 0.234 17 R C 1.940 178.252 176.300 0.019 0.000 1.134 17 R CA 1.540 57.643 56.100 0.006 0.000 0.952 17 R CB -0.429 29.872 30.300 0.003 0.000 0.850 17 R HN 0.322 nan 8.270 nan 0.000 0.433 18 D N 0.774 121.182 120.400 0.013 0.000 2.133 18 D HA -0.195 4.445 4.640 0.000 0.000 0.195 18 D C 1.986 178.301 176.300 0.024 0.000 0.997 18 D CA 1.448 55.459 54.000 0.017 0.000 0.840 18 D CB -0.170 40.636 40.800 0.011 0.000 0.947 18 D HN 0.349 nan 8.370 nan 0.000 0.452 19 Q N -0.591 119.224 119.800 0.024 0.000 2.083 19 Q HA 0.046 4.386 4.340 0.000 0.000 0.198 19 Q C 2.208 178.243 176.000 0.057 0.000 0.969 19 Q CA 0.721 56.544 55.803 0.034 0.000 0.838 19 Q CB 0.182 28.935 28.738 0.026 0.000 0.900 19 Q HN 0.302 nan 8.270 nan 0.000 0.436 20 L N -0.318 120.945 121.223 0.066 0.000 2.537 20 L HA 0.169 4.509 4.340 0.000 0.000 0.224 20 L C 0.180 177.142 176.870 0.154 0.000 1.065 20 L CA -0.296 54.621 54.840 0.128 0.000 0.860 20 L CB 0.565 42.686 42.059 0.103 0.000 1.086 20 L HN 0.123 nan 8.230 nan 0.000 0.482 21 I N 0.780 121.410 120.570 0.100 0.000 2.353 21 I HA 0.506 4.676 4.170 0.000 0.000 0.293 21 I C 1.015 177.170 176.117 0.065 0.000 0.992 21 I CA 0.223 61.579 61.300 0.094 0.000 1.268 21 I CB 0.112 38.153 38.000 0.068 0.000 1.387 21 I HN 0.280 nan 8.210 nan 0.000 0.478 22 G N 5.237 114.072 108.800 0.059 0.000 2.603 22 G HA2 -0.098 3.862 3.960 0.000 0.000 0.245 22 G HA3 -0.098 3.862 3.960 0.000 0.000 0.245 22 G C 0.212 175.133 174.900 0.034 0.000 1.195 22 G CA -0.036 45.087 45.100 0.038 0.000 0.953 22 G HN 1.070 nan 8.290 nan 0.000 0.566 23 A N 0.766 123.603 122.820 0.028 0.000 2.608 23 A HA 0.494 4.814 4.320 0.000 0.000 0.239 23 A C 2.453 180.055 177.584 0.031 0.000 1.018 23 A CA 2.753 54.804 52.037 0.024 0.000 0.766 23 A CB -0.720 18.293 19.000 0.022 0.000 0.928 23 A HN 2.962 nan 8.150 nan 0.000 0.512 24 G N 1.347 110.161 108.800 0.023 0.000 5.155 24 G HA2 -0.213 3.747 3.960 0.000 0.000 0.239 24 G HA3 -0.213 3.747 3.960 0.000 0.000 0.239 24 G C 0.977 175.889 174.900 0.020 0.000 1.409 24 G CA 1.049 46.164 45.100 0.025 0.000 0.927 24 G HN 2.462 nan 8.290 nan 0.000 0.710 25 S N 1.167 116.893 115.700 0.043 0.000 2.687 25 S HA 0.632 5.102 4.470 0.000 0.000 0.283 25 S C 1.294 175.877 174.600 -0.030 0.000 1.170 25 S CA 0.607 58.825 58.200 0.030 0.000 1.008 25 S CB 1.732 65.036 63.200 0.174 0.000 1.026 25 S HN 1.774 nan 8.310 nan 0.000 0.541 26 G N 0.398 109.086 108.800 -0.186 0.000 3.042 26 G HA2 0.150 4.110 3.960 0.000 0.000 0.212 26 G HA3 0.150 4.110 3.960 0.000 0.000 0.212 26 G C -0.078 174.685 174.900 -0.228 0.000 1.166 26 G CA -0.811 44.156 45.100 -0.222 0.000 0.767 26 G HN 0.707 nan 8.290 nan 0.000 0.546 27 W N 0.607 121.913 121.300 0.009 0.000 2.264 27 W HA 0.364 5.024 4.660 0.000 0.000 0.331 27 W C 1.433 177.953 176.519 0.001 0.000 1.364 27 W CA -0.781 56.566 57.345 0.003 0.000 1.253 27 W CB 0.812 30.272 29.460 -0.002 0.000 1.215 27 W HN -0.062 nan 8.180 nan 0.000 0.561 28 R N 1.091 121.744 120.500 0.256 0.000 2.237 28 R HA 0.056 4.396 4.340 0.000 0.000 0.195 28 R C 0.213 176.579 176.300 0.110 0.000 0.956 28 R CA 0.393 56.574 56.100 0.134 0.000 1.029 28 R CB 0.536 30.891 30.300 0.091 0.000 0.972 28 R HN 0.526 nan 8.270 nan 0.000 0.493 29 Q N 0.522 120.395 119.800 0.121 0.000 2.320 29 Q HA 0.427 4.767 4.340 0.000 0.000 0.272 29 Q C -2.118 173.895 176.000 0.021 0.000 1.023 29 Q CA -0.534 55.303 55.803 0.056 0.000 0.855 29 Q CB 2.187 30.943 28.738 0.030 0.000 1.367 29 Q HN 0.069 nan 8.270 nan 0.000 0.406 30 L N 3.278 124.494 121.223 -0.011 0.000 2.438 30 L HA 0.627 4.968 4.340 0.000 0.000 0.270 30 L C -1.879 174.960 176.870 -0.052 0.000 0.972 30 L CA -0.311 54.492 54.840 -0.061 0.000 0.831 30 L CB 1.802 43.815 42.059 -0.077 0.000 1.273 30 L HN 0.684 nan 8.230 nan 0.000 0.405 31 D N 3.993 124.353 120.400 -0.065 0.000 2.619 31 D HA 0.474 5.114 4.640 0.000 0.000 0.241 31 D C -1.065 175.199 176.300 -0.060 0.000 1.087 31 D CA -0.255 53.713 54.000 -0.053 0.000 0.851 31 D CB 3.193 43.965 40.800 -0.046 0.000 1.474 31 D HN 0.175 nan 8.370 nan 0.000 0.478 32 V N 1.592 121.478 119.914 -0.047 0.000 2.417 32 V HA 0.397 4.517 4.120 0.000 0.000 0.291 32 V C 0.204 176.278 176.094 -0.033 0.000 1.024 32 V CA -0.780 61.494 62.300 -0.043 0.000 0.861 32 V CB 1.657 33.458 31.823 -0.038 0.000 0.985 32 V HN 0.420 nan 8.190 nan 0.000 0.436 33 V N 2.144 122.040 119.914 -0.031 0.000 2.628 33 V HA 0.850 4.971 4.120 0.000 0.000 0.306 33 V C 0.864 176.953 176.094 -0.009 0.000 1.045 33 V CA 0.054 62.341 62.300 -0.021 0.000 0.905 33 V CB 1.416 33.224 31.823 -0.026 0.000 0.997 33 V HN 0.837 nan 8.190 nan 0.000 0.436 34 A N 2.447 125.266 122.820 -0.001 0.000 1.930 34 A HA 0.068 4.388 4.320 0.000 0.000 0.217 34 A C 1.045 178.654 177.584 0.041 0.000 1.175 34 A CA 1.661 53.707 52.037 0.014 0.000 0.627 34 A CB -0.219 18.787 19.000 0.010 0.000 0.815 34 A HN 1.039 nan 8.150 nan 0.000 0.443 35 Q N -2.348 117.469 119.800 0.029 0.000 2.352 35 Q HA 0.501 4.841 4.340 0.000 0.000 0.270 35 Q C -1.445 174.549 176.000 -0.010 0.000 1.006 35 Q CA -0.249 55.576 55.803 0.036 0.000 0.880 35 Q CB 1.655 30.442 28.738 0.081 0.000 1.392 35 Q HN 0.270 nan 8.270 nan 0.000 0.401 36 T N 0.736 115.263 114.554 -0.045 0.000 2.792 36 T HA 0.553 4.903 4.350 0.000 0.000 0.303 36 T C 0.484 175.135 174.700 -0.082 0.000 1.310 36 T CA 0.372 62.439 62.100 -0.054 0.000 1.007 36 T CB 1.269 70.107 68.868 -0.050 0.000 1.335 36 T HN 0.675 nan 8.240 nan 0.000 0.504 37 G N 0.964 109.723 108.800 -0.068 0.000 2.414 37 G HA2 0.239 4.199 3.960 0.000 0.000 0.215 37 G HA3 0.239 4.199 3.960 0.000 0.000 0.215 37 G C 0.484 175.335 174.900 -0.081 0.000 1.188 37 G CA 0.986 46.041 45.100 -0.075 0.000 0.783 37 G HN 0.999 nan 8.290 nan 0.000 0.537 38 S N -1.463 114.196 115.700 -0.068 0.000 2.649 38 S HA 0.383 4.853 4.470 0.000 0.000 0.274 38 S C 1.026 175.588 174.600 -0.062 0.000 1.176 38 S CA 0.442 58.602 58.200 -0.066 0.000 0.988 38 S CB 1.205 64.371 63.200 -0.056 0.000 1.071 38 S HN 0.405 nan 8.310 nan 0.000 0.478 39 T N 3.070 117.584 114.554 -0.066 0.000 2.867 39 T HA -0.084 4.266 4.350 0.000 0.000 0.268 39 T C 1.486 176.146 174.700 -0.067 0.000 1.057 39 T CA 1.415 63.474 62.100 -0.068 0.000 1.136 39 T CB -0.541 68.283 68.868 -0.073 0.000 0.874 39 T HN 0.528 nan 8.240 nan 0.000 0.466 40 N N 2.245 120.907 118.700 -0.063 0.000 2.084 40 N HA 0.102 4.842 4.740 0.000 0.000 0.190 40 N C 2.254 177.732 175.510 -0.053 0.000 1.030 40 N CA 1.637 54.651 53.050 -0.059 0.000 0.849 40 N CB -0.914 37.541 38.487 -0.053 0.000 1.012 40 N HN 0.589 nan 8.380 nan 0.000 0.423 41 A N 0.909 123.700 122.820 -0.048 0.000 1.902 41 A HA -0.156 4.164 4.320 0.000 0.000 0.217 41 A C 1.719 179.277 177.584 -0.044 0.000 1.181 41 A CA 1.762 53.775 52.037 -0.040 0.000 0.623 41 A CB -0.537 18.440 19.000 -0.037 0.000 0.818 41 A HN 0.184 nan 8.150 nan 0.000 0.443 42 D N 0.138 120.507 120.400 -0.051 0.000 2.097 42 D HA -0.120 4.520 4.640 0.000 0.000 0.195 42 D C 1.960 178.222 176.300 -0.064 0.000 0.989 42 D CA 1.053 55.021 54.000 -0.053 0.000 0.827 42 D CB -0.380 40.388 40.800 -0.054 0.000 0.966 42 D HN 0.449 nan 8.370 nan 0.000 0.456 43 L N 0.178 121.355 121.223 -0.077 0.000 2.056 43 L HA -0.106 4.234 4.340 0.000 0.000 0.207 43 L C 2.543 179.346 176.870 -0.112 0.000 1.078 43 L CA 0.575 55.352 54.840 -0.105 0.000 0.749 43 L CB -0.373 41.615 42.059 -0.117 0.000 0.901 43 L HN 0.046 nan 8.230 nan 0.000 0.433 44 L N -0.255 120.921 121.223 -0.078 0.000 2.079 44 L HA -0.214 4.126 4.340 0.000 0.000 0.210 44 L C 2.878 179.726 176.870 -0.037 0.000 1.081 44 L CA 1.228 56.038 54.840 -0.051 0.000 0.752 44 L CB -0.742 41.303 42.059 -0.023 0.000 0.896 44 L HN 0.240 nan 8.230 nan 0.000 0.433 45 A N 0.077 122.874 122.820 -0.038 0.000 1.902 45 A HA -0.192 4.128 4.320 0.000 0.000 0.217 45 A C 2.398 179.963 177.584 -0.033 0.000 1.181 45 A CA 1.376 53.397 52.037 -0.027 0.000 0.623 45 A CB -0.443 18.541 19.000 -0.027 0.000 0.818 45 A HN 0.321 nan 8.150 nan 0.000 0.443 46 R N -0.464 120.003 120.500 -0.055 0.000 2.083 46 R HA -0.145 4.195 4.340 0.000 0.000 0.237 46 R C 2.483 178.744 176.300 -0.064 0.000 1.137 46 R CA 1.345 57.408 56.100 -0.063 0.000 0.951 46 R CB -0.582 29.664 30.300 -0.090 0.000 0.851 46 R HN 0.512 nan 8.270 nan 0.000 0.434 47 A N 1.376 124.137 122.820 -0.098 0.000 1.940 47 A HA -0.118 4.202 4.320 0.000 0.000 0.219 47 A C 2.382 179.993 177.584 0.045 0.000 1.176 47 A CA 1.721 53.719 52.037 -0.066 0.000 0.631 47 A CB -0.565 18.374 19.000 -0.103 0.000 0.814 47 A HN 0.417 nan 8.150 nan 0.000 0.446 48 A N 0.148 122.985 122.820 0.028 0.000 2.015 48 A HA -0.029 4.291 4.320 0.000 0.000 0.219 48 A C 2.353 179.955 177.584 0.031 0.000 1.163 48 A CA 1.994 54.055 52.037 0.039 0.000 0.646 48 A CB -0.745 18.270 19.000 0.025 0.000 0.806 48 A HN 1.021 nan 8.150 nan 0.000 0.448 49 S N -2.258 113.452 115.700 0.016 0.000 2.562 49 S HA 0.377 4.847 4.470 0.000 0.000 0.221 49 S C 1.321 175.935 174.600 0.023 0.000 0.975 49 S CA 1.101 59.309 58.200 0.014 0.000 0.918 49 S CB -0.041 63.160 63.200 0.001 0.000 0.772 49 S HN 1.814 nan 8.310 nan 0.000 0.531 50 G N 0.194 109.017 108.800 0.037 0.000 2.192 50 G HA2 0.040 4.000 3.960 0.000 0.000 0.193 50 G HA3 0.040 4.000 3.960 0.000 0.000 0.193 50 G C 0.159 175.091 174.900 0.054 0.000 0.999 50 G CA -0.259 44.873 45.100 0.053 0.000 0.659 50 G HN 1.136 nan 8.290 nan 0.000 0.503 51 A N 0.362 123.195 122.820 0.021 0.000 2.388 51 A HA 0.537 4.857 4.320 0.000 0.000 0.257 51 A C 0.174 177.754 177.584 -0.006 0.000 1.095 51 A CA 0.424 52.459 52.037 -0.004 0.000 0.791 51 A CB 0.502 19.476 19.000 -0.044 0.000 1.029 51 A HN 0.358 nan 8.150 nan 0.000 0.489 52 D N 2.265 122.681 120.400 0.028 0.000 2.352 52 D HA 0.191 4.832 4.640 0.000 0.000 0.245 52 D C 0.919 177.162 176.300 -0.095 0.000 1.224 52 D CA -0.213 53.831 54.000 0.073 0.000 0.879 52 D CB 0.171 41.045 40.800 0.124 0.000 1.057 52 D HN 0.448 nan 8.370 nan 0.000 0.491 53 I N 0.300 120.615 120.570 -0.426 0.000 3.883 53 I HA 0.278 4.448 4.170 0.000 0.000 0.326 53 I C 0.375 176.357 176.117 -0.224 0.000 1.283 53 I CA -0.569 60.488 61.300 -0.405 0.000 1.161 53 I CB -0.059 37.595 38.000 -0.577 0.000 1.012 53 I HN 0.076 nan 8.210 nan 0.000 0.421 54 D N 2.106 122.498 120.400 -0.013 0.000 2.450 54 D HA 0.316 4.956 4.640 0.000 0.000 0.247 54 D C 1.471 177.841 176.300 0.116 0.000 1.162 54 D CA 1.602 55.694 54.000 0.153 0.000 0.879 54 D CB 0.492 41.445 40.800 0.255 0.000 1.163 54 D HN 0.517 nan 8.370 nan 0.000 0.472 55 G N 2.320 111.220 108.800 0.167 0.000 2.148 55 G HA2 -0.222 3.738 3.960 0.000 0.000 0.254 55 G HA3 -0.222 3.738 3.960 0.000 0.000 0.254 55 G C 0.156 175.302 174.900 0.410 0.000 0.981 55 G CA 0.222 45.472 45.100 0.250 0.000 0.670 55 G HN 0.561 nan 8.290 nan 0.000 0.528 56 V N 0.405 120.461 119.914 0.237 0.000 2.472 56 V HA 0.677 4.797 4.120 0.000 0.000 0.290 56 V C 0.469 176.568 176.094 0.008 0.000 1.037 56 V CA -0.747 61.615 62.300 0.104 0.000 0.908 56 V CB 1.955 33.776 31.823 -0.003 0.000 0.985 56 V HN 0.277 nan 8.190 nan 0.000 0.454 57 V N 5.603 125.458 119.914 -0.098 0.000 2.540 57 V HA 0.523 4.643 4.120 0.000 0.000 0.302 57 V C -0.667 175.330 176.094 -0.160 0.000 1.035 57 V CA -0.618 61.538 62.300 -0.240 0.000 0.873 57 V CB 1.702 33.266 31.823 -0.433 0.000 0.992 57 V HN 0.629 nan 8.190 nan 0.000 0.428 58 L N 6.698 127.831 121.223 -0.150 0.000 2.349 58 L HA 0.690 5.030 4.340 0.000 0.000 0.278 58 L C -0.728 176.073 176.870 -0.115 0.000 0.996 58 L CA 0.057 54.829 54.840 -0.114 0.000 0.825 58 L CB 1.303 43.306 42.059 -0.093 0.000 1.243 58 L HN 0.554 nan 8.230 nan 0.000 0.412 59 I N 4.408 124.917 120.570 -0.101 0.000 2.441 59 I HA 0.762 4.932 4.170 0.000 0.000 0.295 59 I C -0.127 175.954 176.117 -0.061 0.000 0.994 59 I CA -0.749 60.498 61.300 -0.087 0.000 1.144 59 I CB 1.959 39.905 38.000 -0.090 0.000 1.314 59 I HN 0.752 nan 8.210 nan 0.000 0.445 60 A N 4.616 127.407 122.820 -0.050 0.000 2.343 60 A HA 0.470 4.790 4.320 0.000 0.000 0.316 60 A C 0.527 178.108 177.584 -0.005 0.000 1.104 60 A CA -0.529 51.491 52.037 -0.029 0.000 0.768 60 A CB 1.099 20.076 19.000 -0.038 0.000 1.213 60 A HN 0.765 nan 8.150 nan 0.000 0.456 61 E N 0.688 120.899 120.200 0.017 0.000 2.274 61 E HA -0.065 4.285 4.350 0.000 0.000 0.194 61 E C 0.038 176.706 176.600 0.114 0.000 0.996 61 E CA 1.126 57.548 56.400 0.038 0.000 0.840 61 E CB 0.070 29.785 29.700 0.026 0.000 0.772 61 E HN 0.725 nan 8.360 nan 0.000 0.491 62 H N -0.616 118.436 119.070 -0.030 0.000 3.086 62 H HA 0.247 4.803 4.556 0.000 0.000 0.353 62 H C -1.085 174.226 175.328 -0.028 0.000 1.134 62 H CA -0.394 55.638 56.048 -0.027 0.000 1.248 62 H CB 1.419 31.167 29.762 -0.023 0.000 1.878 62 H HN -0.129 nan 8.280 nan 0.000 0.527 63 Q N 1.613 121.172 119.800 -0.402 0.000 2.309 63 Q HA 0.207 4.547 4.340 0.000 0.000 0.264 63 Q C 0.402 176.066 176.000 -0.561 0.000 1.008 63 Q CA -0.461 55.125 55.803 -0.362 0.000 0.853 63 Q CB 2.342 30.964 28.738 -0.193 0.000 1.314 63 Q HN 0.799 nan 8.270 nan 0.000 0.448 64 T N -2.270 112.076 114.554 -0.348 0.000 3.023 64 T HA 0.588 4.938 4.350 0.000 0.000 0.253 64 T C 0.292 174.911 174.700 -0.135 0.000 1.038 64 T CA 0.279 62.231 62.100 -0.247 0.000 0.962 64 T CB 0.506 69.287 68.868 -0.144 0.000 1.018 64 T HN 0.509 nan 8.240 nan 0.000 0.521 78 A N 4.434 127.092 122.820 -0.269 0.000 2.520 78 A HA 0.549 4.869 4.320 0.000 0.000 0.245 78 A C 1.337 178.879 177.584 -0.069 0.000 1.072 78 A CA 0.734 52.645 52.037 -0.209 0.000 0.761 78 A CB -0.275 18.521 19.000 -0.340 0.000 1.004 78 A HN 1.192 nan 8.150 nan 0.000 0.499 79 R N 0.120 120.613 120.500 -0.011 0.000 3.994 79 R HA -0.280 4.060 4.340 0.000 0.000 0.403 79 R C 1.060 177.354 176.300 -0.009 0.000 1.126 79 R CA 1.042 57.136 56.100 -0.010 0.000 1.143 79 R CB -2.289 27.997 30.300 -0.023 0.000 1.695 79 R HN 1.149 nan 8.270 nan 0.000 0.555 80 A N 0.515 123.334 122.820 -0.002 0.000 2.169 80 A HA 0.036 4.356 4.320 0.000 0.000 0.212 80 A C 0.920 178.505 177.584 0.002 0.000 1.153 80 A CA 0.707 52.742 52.037 -0.002 0.000 0.756 80 A CB 0.259 19.259 19.000 -0.000 0.000 0.813 80 A HN 0.416 nan 8.150 nan 0.000 0.471 81 Q N -1.549 118.255 119.800 0.006 0.000 2.633 81 Q HA 0.678 5.019 4.340 0.000 0.000 0.292 81 Q C -1.390 174.605 176.000 -0.008 0.000 1.089 81 Q CA -0.741 55.062 55.803 -0.000 0.000 0.811 81 Q CB 1.979 30.718 28.738 0.003 0.000 1.472 81 Q HN 0.328 nan 8.270 nan 0.000 0.464 82 I N 1.745 122.306 120.570 -0.016 0.000 2.355 82 I HA 0.385 4.555 4.170 0.000 0.000 0.288 82 I C -0.899 175.198 176.117 -0.033 0.000 0.999 82 I CA -0.326 60.958 61.300 -0.027 0.000 1.163 82 I CB 0.952 38.932 38.000 -0.033 0.000 1.316 82 I HN 0.324 nan 8.210 nan 0.000 0.454 83 I N 8.236 128.783 120.570 -0.038 0.000 2.418 83 I HA 0.471 4.641 4.170 0.000 0.000 0.287 83 I C -0.886 175.193 176.117 -0.064 0.000 1.008 83 I CA -0.677 60.596 61.300 -0.046 0.000 1.104 83 I CB 1.527 39.504 38.000 -0.039 0.000 1.264 83 I HN 0.375 nan 8.210 nan 0.000 0.438 84 L N 3.139 124.316 121.223 -0.076 0.000 2.671 84 L HA 0.809 5.149 4.340 0.000 0.000 0.259 84 L C -0.913 175.897 176.870 -0.101 0.000 1.021 84 L CA -0.417 54.363 54.840 -0.100 0.000 0.871 84 L CB 2.054 44.034 42.059 -0.132 0.000 1.472 84 L HN 0.318 nan 8.230 nan 0.000 0.410 85 S N -0.049 115.582 115.700 -0.115 0.000 2.570 85 S HA 0.938 5.408 4.470 0.000 0.000 0.286 85 S C -0.850 173.671 174.600 -0.131 0.000 1.099 85 S CA -0.297 57.840 58.200 -0.106 0.000 0.913 85 S CB 2.175 65.321 63.200 -0.089 0.000 1.085 85 S HN 1.290 nan 8.310 nan 0.000 0.480 86 V N -0.565 119.291 119.914 -0.097 0.000 2.876 86 V HA 1.026 5.146 4.120 0.000 0.000 0.312 86 V C 0.119 176.215 176.094 0.004 0.000 1.085 86 V CA -0.757 61.509 62.300 -0.056 0.000 0.945 86 V CB 1.350 33.155 31.823 -0.030 0.000 1.017 86 V HN 0.940 nan 8.190 nan 0.000 0.428 87 G N 1.654 110.470 108.800 0.027 0.000 2.400 87 G HA2 0.622 4.582 3.960 0.000 0.000 0.301 87 G HA3 0.622 4.582 3.960 0.000 0.000 0.301 87 G C -0.996 173.957 174.900 0.088 0.000 1.154 87 G CA -0.682 44.407 45.100 -0.019 0.000 0.852 87 G HN 1.233 nan 8.290 nan 0.000 0.511 88 V N 2.058 122.034 119.914 0.103 0.000 2.569 88 V HA 0.390 4.510 4.120 0.000 0.000 0.301 88 V C 0.186 176.402 176.094 0.203 0.000 1.044 88 V CA -1.000 61.370 62.300 0.116 0.000 0.874 88 V CB 1.579 33.380 31.823 -0.037 0.000 1.002 88 V HN 0.890 nan 8.190 nan 0.000 0.424 89 R N 3.105 123.746 120.500 0.234 0.000 2.370 89 R HA 0.368 4.709 4.340 0.000 0.000 0.309 89 R C 0.661 176.956 176.300 -0.008 0.000 1.059 89 R CA 0.196 56.324 56.100 0.047 0.000 0.981 89 R CB 1.213 31.520 30.300 0.012 0.000 0.972 89 R HN 0.744 nan 8.270 nan 0.000 0.437 90 V N 2.359 122.154 119.914 -0.198 0.000 3.645 90 V HA 0.033 4.154 4.120 0.000 0.000 0.275 90 V C 1.419 177.473 176.094 -0.066 0.000 1.356 90 V CA 0.618 62.773 62.300 -0.242 0.000 1.051 90 V CB 0.385 31.585 31.823 -1.039 0.000 0.828 90 V HN 0.608 nan 8.190 nan 0.000 0.441 91 V N -2.006 117.884 119.914 -0.040 0.000 3.141 91 V HA -0.009 4.111 4.120 0.000 0.000 0.265 91 V C 1.767 177.951 176.094 0.151 0.000 1.126 91 V CA 1.893 64.295 62.300 0.171 0.000 1.141 91 V CB -1.022 30.842 31.823 0.070 0.000 0.743 91 V HN 0.469 nan 8.190 nan 0.000 0.492 92 D N 0.633 121.077 120.400 0.075 0.000 2.355 92 D HA 0.146 4.786 4.640 0.000 0.000 0.218 92 D C 0.653 176.975 176.300 0.036 0.000 1.004 92 D CA 0.547 54.570 54.000 0.039 0.000 0.880 92 D CB 0.660 41.455 40.800 -0.009 0.000 0.911 92 D HN 0.470 nan 8.370 nan 0.000 0.528 93 V N 1.990 121.972 119.914 0.114 0.000 2.483 93 V HA 0.244 4.364 4.120 0.000 0.000 0.295 93 V C -2.185 174.092 176.094 0.304 0.000 1.035 93 V CA -2.009 60.337 62.300 0.076 0.000 0.896 93 V CB 1.950 33.670 31.823 -0.172 0.000 0.986 93 V HN -0.169 nan 8.190 nan 0.000 0.447 94 P HA 0.009 nan 4.420 nan 0.000 0.264 94 P C 1.013 178.239 177.300 -0.125 0.000 1.183 94 P CA 0.248 63.359 63.100 0.020 0.000 0.763 94 P CB 0.545 32.237 31.700 -0.014 0.000 0.807 95 V N 3.573 123.206 119.914 -0.467 0.000 2.469 95 V HA -0.283 3.837 4.120 0.000 0.000 0.251 95 V C 2.348 178.010 176.094 -0.720 0.000 1.064 95 V CA 2.340 63.872 62.300 -1.279 0.000 1.066 95 V CB -1.359 29.852 31.823 -1.019 0.000 0.667 95 V HN 0.699 nan 8.190 nan 0.000 0.461 96 Q N 0.894 120.520 119.800 -0.291 0.000 2.439 96 Q HA -0.077 4.263 4.340 0.000 0.000 0.211 96 Q C 1.773 177.825 176.000 0.087 0.000 0.978 96 Q CA 1.707 57.455 55.803 -0.092 0.000 0.897 96 Q CB -0.318 28.397 28.738 -0.040 0.000 0.956 96 Q HN 0.557 nan 8.270 nan 0.000 0.483 97 A N -0.463 122.480 122.820 0.205 0.000 2.267 97 A HA 0.078 4.398 4.320 0.000 0.000 0.213 97 A C 0.892 178.992 177.584 0.860 0.000 1.192 97 A CA -0.317 52.036 52.037 0.526 0.000 0.851 97 A CB -0.410 18.831 19.000 0.402 0.000 0.881 97 A HN 0.517 nan 8.150 nan 0.000 0.494 98 W N 0.328 121.879 121.300 0.419 0.000 2.465 98 W HA 0.050 4.710 4.660 0.000 0.000 0.268 98 W C 2.138 178.746 176.519 0.148 0.000 1.242 98 W CA 0.302 57.867 57.345 0.367 0.000 1.248 98 W CB -1.275 28.320 29.460 0.225 0.000 1.118 98 W HN 0.403 nan 8.180 nan 0.000 0.587 99 G N -0.858 108.123 108.800 0.303 0.000 2.470 99 G HA2 -0.255 3.705 3.960 0.000 0.000 0.220 99 G HA3 -0.255 3.705 3.960 0.000 0.000 0.220 99 G C 1.222 176.073 174.900 -0.083 0.000 1.121 99 G CA 0.399 45.523 45.100 0.040 0.000 0.766 99 G HN 0.252 nan 8.290 nan 0.000 0.553 100 W N 0.504 121.870 121.300 0.110 0.000 2.421 100 W HA 0.088 4.748 4.660 0.000 0.000 0.270 100 W C 2.369 178.787 176.519 -0.169 0.000 1.233 100 W CA 0.022 57.387 57.345 0.034 0.000 1.226 100 W CB -0.113 29.511 29.460 0.274 0.000 1.121 100 W HN 0.123 nan 8.180 nan 0.000 0.579 101 L N -0.754 120.374 121.223 -0.158 0.000 2.046 101 L HA -0.269 4.071 4.340 0.000 0.000 0.208 101 L C 2.483 179.261 176.870 -0.153 0.000 1.077 101 L CA 1.351 55.985 54.840 -0.343 0.000 0.747 101 L CB -0.966 40.765 42.059 -0.547 0.000 0.896 101 L HN -0.162 nan 8.230 nan 0.000 0.432 102 S N -0.248 115.370 115.700 -0.136 0.000 2.368 102 S HA -0.129 4.341 4.470 0.000 0.000 0.225 102 S C 1.844 176.407 174.600 -0.062 0.000 1.030 102 S CA 1.032 59.161 58.200 -0.118 0.000 0.999 102 S CB -0.170 62.923 63.200 -0.179 0.000 0.844 102 S HN 0.141 nan 8.310 nan 0.000 0.459 103 L N 1.671 122.846 121.223 -0.080 0.000 2.017 103 L HA -0.015 4.325 4.340 0.000 0.000 0.208 103 L C 2.623 179.630 176.870 0.227 0.000 1.073 103 L CA 1.708 56.549 54.840 0.001 0.000 0.745 103 L CB -1.360 40.472 42.059 -0.378 0.000 0.894 103 L HN 0.278 nan 8.230 nan 0.000 0.432 104 A N -0.542 122.403 122.820 0.208 0.000 1.883 104 A HA -0.208 4.112 4.320 0.000 0.000 0.217 104 A C 2.501 180.172 177.584 0.146 0.000 1.186 104 A CA 2.089 54.251 52.037 0.209 0.000 0.624 104 A CB -1.016 18.074 19.000 0.150 0.000 0.822 104 A HN 0.399 nan 8.150 nan 0.000 0.444 105 A N -0.644 122.223 122.820 0.079 0.000 1.902 105 A HA 0.128 4.448 4.320 0.000 0.000 0.217 105 A C 2.421 180.049 177.584 0.074 0.000 1.181 105 A CA 1.948 54.020 52.037 0.059 0.000 0.623 105 A CB -1.382 17.624 19.000 0.010 0.000 0.818 105 A HN 0.760 nan 8.150 nan 0.000 0.443 106 G N -0.163 108.693 108.800 0.094 0.000 2.418 106 G HA2 -0.151 3.809 3.960 0.000 0.000 0.217 106 G HA3 -0.151 3.809 3.960 0.000 0.000 0.217 106 G C 1.481 176.450 174.900 0.115 0.000 1.158 106 G CA 1.189 46.349 45.100 0.100 0.000 0.771 106 G HN 0.490 nan 8.290 nan 0.000 0.545 107 L N 1.495 122.826 121.223 0.180 0.000 2.012 107 L HA 0.069 4.409 4.340 0.000 0.000 0.210 107 L C 3.057 179.992 176.870 0.108 0.000 1.073 107 L CA 2.256 57.189 54.840 0.155 0.000 0.748 107 L CB -0.794 41.410 42.059 0.243 0.000 0.891 107 L HN 0.241 nan 8.230 nan 0.000 0.431 108 A N -1.185 121.701 122.820 0.109 0.000 1.908 108 A HA -0.157 4.163 4.320 0.000 0.000 0.218 108 A C 2.261 179.883 177.584 0.064 0.000 1.181 108 A CA 2.098 54.188 52.037 0.088 0.000 0.627 108 A CB -1.144 17.915 19.000 0.097 0.000 0.818 108 A HN 0.324 nan 8.150 nan 0.000 0.445 109 V N -0.226 119.720 119.914 0.054 0.000 2.237 109 V HA -0.255 3.865 4.120 0.000 0.000 0.245 109 V C 2.486 178.599 176.094 0.031 0.000 1.046 109 V CA 2.034 64.354 62.300 0.034 0.000 1.007 109 V CB -0.929 30.908 31.823 0.023 0.000 0.638 109 V HN 0.601 nan 8.190 nan 0.000 0.445 110 L N 0.605 121.849 121.223 0.035 0.000 2.013 110 L HA -0.242 4.098 4.340 0.000 0.000 0.212 110 L C 2.057 178.943 176.870 0.027 0.000 1.073 110 L CA 2.283 57.139 54.840 0.026 0.000 0.753 110 L CB -0.992 41.081 42.059 0.023 0.000 0.890 110 L HN 0.330 nan 8.230 nan 0.000 0.432 111 D N -1.138 119.284 120.400 0.037 0.000 2.219 111 D HA -0.112 4.528 4.640 0.000 0.000 0.205 111 D C 2.292 178.612 176.300 0.032 0.000 0.970 111 D CA 1.300 55.322 54.000 0.037 0.000 0.851 111 D CB 0.015 40.843 40.800 0.048 0.000 0.943 111 D HN 0.371 nan 8.370 nan 0.000 0.488 112 S N -0.316 115.404 115.700 0.033 0.000 2.383 112 S HA -0.090 4.380 4.470 0.000 0.000 0.227 112 S C 2.133 176.744 174.600 0.019 0.000 1.026 112 S CA 1.084 59.300 58.200 0.027 0.000 0.981 112 S CB 0.159 63.375 63.200 0.027 0.000 0.818 112 S HN 0.336 nan 8.310 nan 0.000 0.472 113 V N -1.281 118.643 119.914 0.017 0.000 3.565 113 V HA 0.478 4.598 4.120 0.000 0.000 0.260 113 V C 2.049 178.150 176.094 0.011 0.000 1.231 113 V CA 0.542 62.849 62.300 0.011 0.000 1.100 113 V CB -0.758 31.070 31.823 0.008 0.000 0.807 113 V HN 0.315 nan 8.190 nan 0.000 0.454 114 A N 1.732 124.560 122.820 0.014 0.000 1.865 114 A HA -0.034 4.286 4.320 0.000 0.000 0.217 114 A C 0.694 178.285 177.584 0.011 0.000 1.191 114 A CA 2.306 54.351 52.037 0.012 0.000 0.623 114 A CB -2.054 16.954 19.000 0.014 0.000 0.826 114 A HN 0.596 nan 8.150 nan 0.000 0.444 115 P HA -0.149 nan 4.420 nan 0.000 0.219 115 P C 1.087 178.392 177.300 0.009 0.000 1.144 115 P CA 0.960 64.067 63.100 0.012 0.000 0.806 115 P CB -0.162 31.546 31.700 0.013 0.000 0.771 116 L N -2.249 118.979 121.223 0.008 0.000 2.446 116 L HA 0.070 4.411 4.340 0.000 0.000 0.219 116 L C 0.733 177.606 176.870 0.005 0.000 1.116 116 L CA -0.000 54.844 54.840 0.006 0.000 0.844 116 L CB -0.592 41.471 42.059 0.005 0.000 0.970 116 L HN -0.050 nan 8.230 nan 0.000 0.457 117 I N -1.194 119.380 120.570 0.006 0.000 2.428 117 I HA 0.378 4.548 4.170 0.000 0.000 0.296 117 I C 0.744 176.864 176.117 0.005 0.000 0.985 117 I CA -0.646 60.657 61.300 0.005 0.000 1.260 117 I CB 0.992 38.995 38.000 0.006 0.000 1.389 117 I HN -0.174 nan 8.210 nan 0.000 0.484 118 A N 5.205 128.028 122.820 0.005 0.000 2.840 118 A HA 0.562 4.882 4.320 0.000 0.000 0.269 118 A C 0.302 177.889 177.584 0.005 0.000 1.439 118 A CA -0.109 51.930 52.037 0.005 0.000 1.083 118 A CB -1.033 17.969 19.000 0.004 0.000 1.019 118 A HN 0.804 nan 8.150 nan 0.000 0.607 119 V N -3.200 116.717 119.914 0.006 0.000 2.914 119 V HA 0.766 4.886 4.120 0.000 0.000 0.314 119 V C -2.848 173.250 176.094 0.006 0.000 1.084 119 V CA -2.460 59.844 62.300 0.006 0.000 0.963 119 V CB 1.611 33.437 31.823 0.006 0.000 1.025 119 V HN 0.237 nan 8.190 nan 0.000 0.432 120 P HA 0.341 nan 4.420 nan 0.000 0.272 120 P C -2.237 175.067 177.300 0.007 0.000 1.230 120 P CA -1.354 61.750 63.100 0.006 0.000 0.788 120 P CB 0.057 31.760 31.700 0.006 0.000 0.949 121 P HA -0.251 nan 4.420 nan 0.000 0.218 121 P C 1.400 178.703 177.300 0.005 0.000 1.152 121 P CA 2.306 65.410 63.100 0.006 0.000 0.857 121 P CB -0.470 31.234 31.700 0.006 0.000 0.787 122 A N -0.342 122.481 122.820 0.006 0.000 1.972 122 A HA -0.171 4.149 4.320 0.000 0.000 0.219 122 A C 1.970 179.559 177.584 0.009 0.000 1.169 122 A CA 1.421 53.461 52.037 0.006 0.000 0.635 122 A CB -0.846 18.158 19.000 0.006 0.000 0.810 122 A HN 0.055 nan 8.150 nan 0.000 0.446 123 E N 0.418 120.624 120.200 0.009 0.000 2.403 123 E HA 0.066 4.417 4.350 0.000 0.000 0.187 123 E C 0.131 176.738 176.600 0.013 0.000 1.073 123 E CA 0.609 57.017 56.400 0.012 0.000 0.888 123 E CB -0.353 29.353 29.700 0.011 0.000 1.035 123 E HN 0.711 nan 8.360 nan 0.000 0.471 124 T N -3.601 110.959 114.554 0.011 0.000 2.906 124 T HA 0.836 5.186 4.350 0.000 0.000 0.295 124 T C 0.286 174.990 174.700 0.007 0.000 1.075 124 T CA -0.411 61.695 62.100 0.010 0.000 1.005 124 T CB 2.723 71.595 68.868 0.007 0.000 1.136 124 T HN 0.034 nan 8.240 nan 0.000 0.498 125 G N 0.513 109.316 108.800 0.006 0.000 2.317 125 G HA2 0.464 4.424 3.960 0.000 0.000 0.293 125 G HA3 0.464 4.424 3.960 0.000 0.000 0.293 125 G C -2.204 172.693 174.900 -0.005 0.000 1.287 125 G CA -1.053 44.042 45.100 -0.008 0.000 0.850 125 G HN 0.906 nan 8.290 nan 0.000 0.515 126 L N 0.713 121.916 121.223 -0.033 0.000 2.313 126 L HA 0.587 4.927 4.340 0.000 0.000 0.283 126 L C 0.090 177.013 176.870 0.088 0.000 1.013 126 L CA -0.813 54.018 54.840 -0.015 0.000 0.816 126 L CB 2.039 43.992 42.059 -0.177 0.000 1.236 126 L HN 0.565 nan 8.230 nan 0.000 0.419 127 K N 3.124 123.594 120.400 0.116 0.000 2.263 127 K HA 0.171 4.491 4.320 0.000 0.000 0.272 127 K C -0.845 175.895 176.600 0.233 0.000 1.033 127 K CA -0.604 55.780 56.287 0.161 0.000 0.884 127 K CB 1.007 33.464 32.500 -0.071 0.000 1.107 127 K HN 0.502 nan 8.250 nan 0.000 0.460 128 W N 7.774 129.176 121.300 0.171 0.000 2.181 128 W HA 0.112 4.772 4.660 0.000 0.000 0.335 128 W C -1.829 174.728 176.519 0.064 0.000 1.310 128 W CA -1.420 56.019 57.345 0.156 0.000 1.226 128 W CB 0.996 30.550 29.460 0.157 0.000 1.155 128 W HN 0.537 nan 8.180 nan 0.000 0.565 129 P HA 0.046 nan 4.420 nan 0.000 0.267 129 P C -0.208 176.846 177.300 -0.410 0.000 1.289 129 P CA 0.772 63.232 63.100 -1.066 0.000 0.866 129 P CB 0.550 31.291 31.700 -1.599 0.000 1.309 130 N N -1.772 116.790 118.700 -0.230 0.000 2.113 130 N HA 0.099 4.839 4.740 0.000 0.000 0.223 130 N C -0.383 175.087 175.510 -0.066 0.000 1.310 130 N CA -0.107 52.856 53.050 -0.145 0.000 0.896 130 N CB -0.126 38.259 38.487 -0.170 0.000 1.097 130 N HN -0.173 nan 8.380 nan 0.000 0.507 131 D N 0.271 120.649 120.400 -0.037 0.000 2.342 131 D HA 0.428 5.068 4.640 0.000 0.000 0.243 131 D C -0.714 175.588 176.300 0.004 0.000 1.019 131 D CA -0.468 53.517 54.000 -0.026 0.000 0.864 131 D CB 2.966 43.737 40.800 -0.049 0.000 1.315 131 D HN -0.203 nan 8.370 nan 0.000 0.468 132 V N 2.361 122.275 119.914 -0.000 0.000 2.417 132 V HA 0.344 4.464 4.120 0.000 0.000 0.291 132 V C -0.446 175.648 176.094 -0.001 0.000 1.024 132 V CA -0.729 61.575 62.300 0.007 0.000 0.861 132 V CB 1.338 33.167 31.823 0.010 0.000 0.985 132 V HN 0.300 nan 8.190 nan 0.000 0.436 133 L N 3.995 125.221 121.223 0.005 0.000 2.331 133 L HA 0.921 5.261 4.340 0.000 0.000 0.275 133 L C 0.207 177.083 176.870 0.010 0.000 1.022 133 L CA -0.455 54.388 54.840 0.005 0.000 0.812 133 L CB 1.700 43.768 42.059 0.015 0.000 1.257 133 L HN 0.805 nan 8.230 nan 0.000 0.435 134 A N 2.442 125.268 122.820 0.009 0.000 2.408 134 A HA 0.649 4.970 4.320 0.000 0.000 0.295 134 A C -0.072 177.519 177.584 0.011 0.000 1.040 134 A CA -0.629 51.414 52.037 0.010 0.000 0.707 134 A CB 0.921 19.925 19.000 0.007 0.000 1.235 134 A HN 0.707 nan 8.150 nan 0.000 0.418 135 R N 1.456 121.964 120.500 0.014 0.000 3.405 135 R HA -0.266 4.075 4.340 0.000 0.000 0.258 135 R C 1.195 177.506 176.300 0.018 0.000 1.030 135 R CA 1.228 57.337 56.100 0.015 0.000 0.691 135 R CB -1.947 28.359 30.300 0.011 0.000 1.093 135 R HN 2.492 nan 8.270 nan 0.000 0.448 136 G N -1.979 106.836 108.800 0.024 0.000 2.245 136 G HA2 -0.314 3.647 3.960 0.000 0.000 0.264 136 G HA3 -0.314 3.647 3.960 0.000 0.000 0.264 136 G C 0.420 175.328 174.900 0.014 0.000 0.985 136 G CA 0.282 45.399 45.100 0.029 0.000 0.625 136 G HN 0.837 nan 8.290 nan 0.000 0.536 137 G N -0.373 108.431 108.800 0.007 0.000 2.410 137 G HA2 0.570 4.530 3.960 0.000 0.000 0.330 137 G HA3 0.570 4.530 3.960 0.000 0.000 0.330 137 G C -0.212 174.683 174.900 -0.007 0.000 1.142 137 G CA -0.066 45.033 45.100 -0.002 0.000 0.902 137 G HN 0.452 nan 8.290 nan 0.000 0.491 138 K N 1.322 121.714 120.400 -0.015 0.000 2.382 138 K HA 0.114 4.434 4.320 0.000 0.000 0.286 138 K C 0.855 177.448 176.600 -0.013 0.000 1.062 138 K CA -0.441 55.835 56.287 -0.019 0.000 1.000 138 K CB 0.540 33.025 32.500 -0.026 0.000 0.954 138 K HN 0.324 nan 8.250 nan 0.000 0.470 139 L N 4.345 125.562 121.223 -0.010 0.000 2.253 139 L HA 0.344 4.685 4.340 0.000 0.000 0.205 139 L C -0.148 176.716 176.870 -0.009 0.000 1.078 139 L CA 1.135 55.971 54.840 -0.007 0.000 0.805 139 L CB 0.276 42.334 42.059 -0.002 0.000 0.963 139 L HN 0.657 nan 8.230 nan 0.000 0.459 140 A N -1.773 121.040 122.820 -0.011 0.000 2.604 140 A HA 0.752 5.072 4.320 0.000 0.000 0.295 140 A C -0.605 176.967 177.584 -0.020 0.000 1.067 140 A CA -0.044 51.985 52.037 -0.014 0.000 0.683 140 A CB 0.803 19.797 19.000 -0.009 0.000 1.281 140 A HN 0.240 nan 8.150 nan 0.000 0.407 141 G N 0.338 109.122 108.800 -0.027 0.000 2.571 141 G HA2 0.612 4.572 3.960 0.000 0.000 0.304 141 G HA3 0.612 4.572 3.960 0.000 0.000 0.304 141 G C -1.154 173.721 174.900 -0.041 0.000 1.314 141 G CA -0.466 44.611 45.100 -0.037 0.000 0.975 141 G HN 0.501 nan 8.290 nan 0.000 0.485 142 I N 1.218 121.757 120.570 -0.052 0.000 2.441 142 I HA 0.498 4.668 4.170 0.000 0.000 0.295 142 I C -0.916 175.156 176.117 -0.075 0.000 0.994 142 I CA -1.131 60.134 61.300 -0.058 0.000 1.144 142 I CB 1.587 39.553 38.000 -0.056 0.000 1.314 142 I HN 0.312 nan 8.210 nan 0.000 0.445 143 L N 6.034 127.214 121.223 -0.071 0.000 2.404 143 L HA 0.789 5.129 4.340 0.000 0.000 0.272 143 L C -0.574 176.252 176.870 -0.073 0.000 0.980 143 L CA -0.392 54.404 54.840 -0.074 0.000 0.836 143 L CB 1.392 43.413 42.059 -0.063 0.000 1.238 143 L HN 0.680 nan 8.230 nan 0.000 0.408 144 A N 4.448 127.221 122.820 -0.079 0.000 2.304 144 A HA 0.823 5.143 4.320 0.000 0.000 0.323 144 A C -0.608 176.947 177.584 -0.049 0.000 1.195 144 A CA -0.448 51.545 52.037 -0.073 0.000 0.826 144 A CB 0.640 19.587 19.000 -0.089 0.000 1.184 144 A HN 0.746 nan 8.150 nan 0.000 0.496 145 E N 0.833 121.010 120.200 -0.038 0.000 2.248 145 E HA 0.463 4.813 4.350 0.000 0.000 0.267 145 E C -1.529 175.073 176.600 0.003 0.000 0.877 145 E CA -0.726 55.666 56.400 -0.014 0.000 0.759 145 E CB 2.672 32.362 29.700 -0.017 0.000 1.182 145 E HN 0.417 nan 8.360 nan 0.000 0.418 146 V N 1.822 121.757 119.914 0.036 0.000 2.435 146 V HA 0.772 4.892 4.120 0.000 0.000 0.290 146 V C -1.149 174.991 176.094 0.078 0.000 1.030 146 V CA -0.278 62.061 62.300 0.065 0.000 0.881 146 V CB 1.221 33.136 31.823 0.153 0.000 0.983 146 V HN 0.773 nan 8.190 nan 0.000 0.445 147 A N 5.717 128.587 122.820 0.084 0.000 2.855 147 A HA 0.606 4.926 4.320 0.000 0.000 0.313 147 A C -0.383 177.261 177.584 0.101 0.000 1.173 147 A CA -0.635 51.462 52.037 0.099 0.000 0.753 147 A CB 0.786 19.842 19.000 0.094 0.000 1.200 147 A HN 1.247 nan 8.150 nan 0.000 0.442 148 Q N 2.776 122.639 119.800 0.105 0.000 2.304 148 Q HA 0.221 4.561 4.340 0.000 0.000 0.315 148 Q C -1.677 174.325 176.000 0.003 0.000 1.075 148 Q CA 0.040 55.882 55.803 0.064 0.000 0.988 148 Q CB 0.269 29.143 28.738 0.227 0.000 1.146 148 Q HN 0.384 nan 8.270 nan 0.000 0.383 149 P HA 0.126 nan 4.420 nan 0.000 0.255 149 P C -1.005 175.948 177.300 -0.579 0.000 1.248 149 P CA 0.223 63.093 63.100 -0.383 0.000 0.807 149 P CB 0.279 31.653 31.700 -0.543 0.000 1.150 150 F N -0.752 119.129 119.950 -0.115 0.000 2.556 150 F HA 0.446 4.973 4.527 0.000 0.000 0.327 150 F C 0.310 175.991 175.800 -0.199 0.000 1.059 150 F CA -1.347 56.564 58.000 -0.149 0.000 0.953 150 F CB 1.929 40.882 39.000 -0.078 0.000 1.227 150 F HN -0.447 nan 8.300 nan 0.000 0.478 151 V N 2.589 122.496 119.914 -0.012 0.000 2.555 151 V HA 0.482 4.602 4.120 0.000 0.000 0.302 151 V C -0.672 175.403 176.094 -0.031 0.000 1.038 151 V CA -0.855 61.401 62.300 -0.072 0.000 0.887 151 V CB 2.019 33.721 31.823 -0.203 0.000 0.991 151 V HN 0.479 nan 8.190 nan 0.000 0.434 152 V N 6.002 125.893 119.914 -0.038 0.000 2.398 152 V HA 0.469 4.589 4.120 0.000 0.000 0.286 152 V C -0.259 175.797 176.094 -0.063 0.000 1.026 152 V CA -0.443 61.826 62.300 -0.053 0.000 0.868 152 V CB 1.597 33.387 31.823 -0.056 0.000 0.982 152 V HN 0.601 nan 8.190 nan 0.000 0.443 153 L N 4.696 125.881 121.223 -0.063 0.000 2.298 153 L HA 0.684 5.024 4.340 0.000 0.000 0.284 153 L C 0.622 177.454 176.870 -0.063 0.000 1.013 153 L CA -0.280 54.520 54.840 -0.067 0.000 0.824 153 L CB 1.633 43.655 42.059 -0.061 0.000 1.221 153 L HN 0.760 nan 8.230 nan 0.000 0.418 154 G N 3.051 111.813 108.800 -0.064 0.000 2.343 154 G HA2 0.586 4.546 3.960 0.000 0.000 0.319 154 G HA3 0.586 4.546 3.960 0.000 0.000 0.319 154 G C -0.930 173.934 174.900 -0.059 0.000 1.126 154 G CA -0.298 44.764 45.100 -0.064 0.000 0.889 154 G HN 0.283 nan 8.290 nan 0.000 0.457 155 V N 1.283 121.161 119.914 -0.059 0.000 2.540 155 V HA 0.807 4.927 4.120 0.000 0.000 0.302 155 V C 0.482 176.547 176.094 -0.048 0.000 1.035 155 V CA -0.524 61.747 62.300 -0.049 0.000 0.873 155 V CB 1.919 33.713 31.823 -0.048 0.000 0.992 155 V HN 0.983 nan 8.190 nan 0.000 0.428 156 G N 4.100 112.876 108.800 -0.039 0.000 2.675 156 G HA2 0.609 4.569 3.960 0.000 0.000 0.297 156 G HA3 0.609 4.569 3.960 0.000 0.000 0.297 156 G C -1.538 173.347 174.900 -0.026 0.000 1.399 156 G CA -0.424 44.655 45.100 -0.034 0.000 0.981 156 G HN 0.574 nan 8.290 nan 0.000 0.519 157 L N 2.212 123.421 121.223 -0.022 0.000 2.313 157 L HA 0.566 4.906 4.340 0.000 0.000 0.283 157 L C -0.844 176.019 176.870 -0.012 0.000 1.013 157 L CA -1.137 53.694 54.840 -0.016 0.000 0.816 157 L CB 1.475 43.525 42.059 -0.015 0.000 1.236 157 L HN 0.310 nan 8.230 nan 0.000 0.419 158 N N 4.138 122.832 118.700 -0.009 0.000 2.401 158 N HA 0.202 4.942 4.740 0.000 0.000 0.255 158 N C 0.601 176.107 175.510 -0.006 0.000 1.110 158 N CA -0.145 52.901 53.050 -0.007 0.000 0.949 158 N CB 1.836 40.320 38.487 -0.006 0.000 1.110 158 N HN 0.560 nan 8.380 nan 0.000 0.490 159 V N 1.330 121.241 119.914 -0.005 0.000 2.599 159 V HA -0.007 4.113 4.120 0.000 0.000 0.237 159 V C 1.723 177.814 176.094 -0.005 0.000 1.081 159 V CA 1.458 63.754 62.300 -0.006 0.000 1.107 159 V CB -0.123 31.696 31.823 -0.007 0.000 0.808 159 V HN 0.797 nan 8.190 nan 0.000 0.486 160 T N -3.365 111.185 114.554 -0.005 0.000 3.170 160 T HA 0.639 4.989 4.350 0.000 0.000 0.288 160 T C 0.141 174.838 174.700 -0.005 0.000 0.992 160 T CA 0.869 62.966 62.100 -0.006 0.000 0.909 160 T CB 0.461 69.325 68.868 -0.008 0.000 1.133 160 T HN 0.773 nan 8.240 nan 0.000 0.530 161 Q N -0.436 119.362 119.800 -0.003 0.000 2.973 161 Q HA 0.834 5.174 4.340 0.000 0.000 0.313 161 Q C -0.229 175.771 176.000 0.001 0.000 0.860 161 Q CA -0.353 55.449 55.803 -0.002 0.000 0.780 161 Q CB 0.284 29.021 28.738 -0.002 0.000 1.485 161 Q HN 1.957 nan 8.270 nan 0.000 0.453 169 D N 0.674 121.073 120.400 -0.003 0.000 2.363 169 D HA 0.585 5.225 4.640 0.000 0.000 0.214 169 D C 0.907 177.204 176.300 -0.004 0.000 1.093 169 D CA 0.574 54.573 54.000 -0.002 0.000 0.837 169 D CB 0.377 nan 40.800 nan 0.000 0.948 169 D HN 0.720 nan 8.370 nan 0.000 0.507 170 A N -0.341 122.475 122.820 -0.006 0.000 2.536 170 A HA 0.520 4.841 4.320 0.000 0.000 0.234 170 A C 0.873 178.454 177.584 -0.004 0.000 1.076 170 A CA 0.965 52.997 52.037 -0.007 0.000 0.769 170 A CB 0.435 19.430 19.000 -0.008 0.000 1.020 170 A HN 0.377 nan 8.150 nan 0.000 0.508 171 T N -1.044 113.508 114.554 -0.005 0.000 2.742 171 T HA 0.746 5.096 4.350 0.000 0.000 0.282 171 T C -0.321 174.378 174.700 -0.003 0.000 1.025 171 T CA 0.194 62.292 62.100 -0.003 0.000 1.020 171 T CB 1.171 70.038 68.868 -0.001 0.000 1.317 171 T HN 1.927 nan 8.240 nan 0.000 0.538 172 S N 0.081 115.780 115.700 -0.002 0.000 2.625 172 S HA 0.488 4.958 4.470 0.000 0.000 0.271 172 S C 0.942 175.541 174.600 -0.002 0.000 1.161 172 S CA -0.891 57.308 58.200 -0.003 0.000 0.820 172 S CB 0.667 63.866 63.200 -0.003 0.000 1.137 172 S HN 0.603 nan 8.310 nan 0.000 0.470 173 L N 0.638 121.860 121.223 -0.002 0.000 2.012 173 L HA -0.073 4.267 4.340 0.000 0.000 0.210 173 L C 2.543 179.412 176.870 -0.001 0.000 1.073 173 L CA 1.336 56.176 54.840 -0.001 0.000 0.748 173 L CB -0.702 41.356 42.059 -0.002 0.000 0.891 173 L HN 0.747 nan 8.230 nan 0.000 0.431 174 L N 1.143 122.365 121.223 -0.002 0.000 2.013 174 L HA -0.278 4.062 4.340 0.000 0.000 0.212 174 L C 1.909 178.779 176.870 -0.001 0.000 1.073 174 L CA 2.623 57.462 54.840 -0.002 0.000 0.753 174 L CB -0.619 41.438 42.059 -0.003 0.000 0.890 174 L HN 0.547 nan 8.230 nan 0.000 0.432 175 D N -2.136 118.263 120.400 -0.001 0.000 2.360 175 D HA -0.066 4.574 4.640 0.000 0.000 0.210 175 D C 1.776 178.077 176.300 0.001 0.000 1.047 175 D CA 0.196 54.196 54.000 -0.001 0.000 0.854 175 D CB -0.413 40.386 40.800 -0.001 0.000 0.936 175 D HN 0.429 nan 8.370 nan 0.000 0.514 176 L N -0.079 121.145 121.223 0.001 0.000 2.556 176 L HA 0.128 4.468 4.340 0.000 0.000 0.230 176 L C 1.568 178.439 176.870 0.002 0.000 1.163 176 L CA 1.131 55.972 54.840 0.002 0.000 0.819 176 L CB -0.600 41.460 42.059 0.002 0.000 0.939 176 L HN 0.453 nan 8.230 nan 0.000 0.452 177 G N -1.186 107.615 108.800 0.001 0.000 2.155 177 G HA2 -0.162 3.798 3.960 0.000 0.000 0.130 177 G HA3 -0.162 3.798 3.960 0.000 0.000 0.130 177 G C -0.063 174.838 174.900 0.001 0.000 1.027 177 G CA -0.391 44.710 45.100 0.001 0.000 0.705 177 G HN 0.013 nan 8.290 nan 0.000 0.496 178 V N 1.878 121.792 119.914 0.000 0.000 2.338 178 V HA 0.509 4.629 4.120 0.000 0.000 0.255 178 V C 1.690 177.783 176.094 -0.001 0.000 1.082 178 V CA 0.719 63.019 62.300 0.000 0.000 0.951 178 V CB 0.327 32.150 31.823 0.000 0.000 1.102 178 V HN 0.709 nan 8.190 nan 0.000 0.489 179 A N 4.217 127.037 122.820 -0.001 0.000 1.930 179 A HA 0.290 4.610 4.320 0.000 0.000 0.217 179 A C 1.503 179.086 177.584 -0.003 0.000 1.175 179 A CA 1.376 53.412 52.037 -0.002 0.000 0.627 179 A CB 0.104 19.103 19.000 -0.002 0.000 0.815 179 A HN 1.123 nan 8.150 nan 0.000 0.443 180 A N 0.226 123.044 122.820 -0.003 0.000 3.317 180 A HA 0.581 4.901 4.320 0.000 0.000 0.307 180 A C -2.748 174.834 177.584 -0.004 0.000 1.003 180 A CA -1.146 50.888 52.037 -0.004 0.000 0.882 180 A CB -0.169 18.828 19.000 -0.004 0.000 1.136 180 A HN 0.200 nan 8.150 nan 0.000 0.488 181 P HA 0.188 nan 4.420 nan 0.000 0.268 181 P C -0.741 176.555 177.300 -0.006 0.000 1.204 181 P CA 0.241 63.338 63.100 -0.004 0.000 0.768 181 P CB 0.717 32.414 31.700 -0.005 0.000 0.842 182 D N 2.486 122.883 120.400 -0.005 0.000 2.443 182 D HA 0.102 4.742 4.640 0.000 0.000 0.221 182 D C 0.838 177.133 176.300 -0.008 0.000 1.097 182 D CA -0.374 53.623 54.000 -0.006 0.000 0.865 182 D CB 0.510 41.308 40.800 -0.004 0.000 1.034 182 D HN 0.160 nan 8.370 nan 0.000 0.511 183 R N 2.507 123.000 120.500 -0.011 0.000 2.189 183 R HA -0.038 4.302 4.340 0.000 0.000 0.223 183 R C 1.452 177.741 176.300 -0.018 0.000 1.092 183 R CA 0.566 56.657 56.100 -0.015 0.000 0.989 183 R CB 0.211 30.501 30.300 -0.017 0.000 0.876 183 R HN 0.471 nan 8.270 nan 0.000 0.457 184 N N 0.840 119.531 118.700 -0.016 0.000 2.135 184 N HA -0.104 4.636 4.740 0.000 0.000 0.186 184 N C 1.713 177.215 175.510 -0.014 0.000 1.027 184 N CA 1.038 54.077 53.050 -0.018 0.000 0.849 184 N CB -0.068 38.411 38.487 -0.015 0.000 1.002 184 N HN 0.231 nan 8.380 nan 0.000 0.425 185 R N 0.754 121.249 120.500 -0.008 0.000 2.091 185 R HA -0.006 4.334 4.340 0.000 0.000 0.238 185 R C 2.309 178.607 176.300 -0.002 0.000 1.136 185 R CA 0.965 57.064 56.100 -0.002 0.000 0.959 185 R CB -0.311 29.990 30.300 0.000 0.000 0.856 185 R HN 0.227 nan 8.270 nan 0.000 0.437 186 I N 0.459 121.025 120.570 -0.006 0.000 2.202 186 I HA -0.225 3.945 4.170 0.000 0.000 0.242 186 I C 2.631 178.741 176.117 -0.013 0.000 1.091 186 I CA 1.143 62.439 61.300 -0.006 0.000 1.368 186 I CB -0.384 37.611 38.000 -0.008 0.000 1.058 186 I HN 0.182 nan 8.210 nan 0.000 0.410 187 A N -0.084 122.721 122.820 -0.025 0.000 1.908 187 A HA -0.274 4.046 4.320 0.000 0.000 0.218 187 A C 2.495 180.052 177.584 -0.046 0.000 1.181 187 A CA 2.370 54.379 52.037 -0.046 0.000 0.627 187 A CB -0.942 18.023 19.000 -0.058 0.000 0.818 187 A HN 0.425 nan 8.150 nan 0.000 0.445 188 S N -0.666 115.018 115.700 -0.027 0.000 2.356 188 S HA -0.246 4.224 4.470 0.000 0.000 0.223 188 S C 2.231 176.843 174.600 0.021 0.000 1.032 188 S CA 1.880 60.076 58.200 -0.007 0.000 1.005 188 S CB -0.366 62.837 63.200 0.004 0.000 0.867 188 S HN 0.547 nan 8.310 nan 0.000 0.449 189 R N 0.956 121.468 120.500 0.020 0.000 2.083 189 R HA 0.007 4.347 4.340 0.000 0.000 0.237 189 R C 2.403 178.730 176.300 0.045 0.000 1.137 189 R CA 1.955 58.076 56.100 0.034 0.000 0.951 189 R CB -1.069 29.247 30.300 0.025 0.000 0.851 189 R HN 0.586 nan 8.270 nan 0.000 0.434 190 L N -0.167 121.070 121.223 0.024 0.000 2.012 190 L HA -0.160 4.180 4.340 0.000 0.000 0.210 190 L C 2.028 178.930 176.870 0.054 0.000 1.073 190 L CA 1.548 56.404 54.840 0.027 0.000 0.748 190 L CB -0.203 41.852 42.059 -0.007 0.000 0.891 190 L HN 0.302 nan 8.230 nan 0.000 0.431 191 L N -0.661 120.576 121.223 0.024 0.000 2.093 191 L HA -0.178 4.162 4.340 0.000 0.000 0.208 191 L C 2.778 179.865 176.870 0.362 0.000 1.085 191 L CA 1.168 56.043 54.840 0.059 0.000 0.755 191 L CB -0.418 41.498 42.059 -0.238 0.000 0.904 191 L HN 0.210 nan 8.230 nan 0.000 0.435 192 R N -0.453 120.195 120.500 0.246 0.000 2.092 192 R HA -0.121 4.219 4.340 0.000 0.000 0.231 192 R C 2.230 178.633 176.300 0.171 0.000 1.119 192 R CA 0.935 57.171 56.100 0.226 0.000 0.970 192 R CB -0.168 30.215 30.300 0.139 0.000 0.864 192 R HN 0.289 nan 8.270 nan 0.000 0.440 193 E N 0.782 121.065 120.200 0.139 0.000 2.072 193 E HA -0.160 4.190 4.350 0.000 0.000 0.191 193 E C 1.992 178.676 176.600 0.140 0.000 0.985 193 E CA 0.733 57.201 56.400 0.113 0.000 0.801 193 E CB -0.224 29.530 29.700 0.090 0.000 0.750 193 E HN 0.128 nan 8.360 nan 0.000 0.452 194 L N 1.876 123.212 121.223 0.189 0.000 2.012 194 L HA -0.203 4.137 4.340 0.000 0.000 0.210 194 L C 2.370 179.384 176.870 0.240 0.000 1.073 194 L CA 2.082 57.059 54.840 0.229 0.000 0.748 194 L CB -0.565 41.657 42.059 0.273 0.000 0.891 194 L HN 0.137 nan 8.230 nan 0.000 0.431 195 E N -0.735 119.631 120.200 0.277 0.000 2.058 195 E HA -0.278 4.072 4.350 0.000 0.000 0.194 195 E C 2.069 178.660 176.600 -0.016 0.000 0.997 195 E CA 1.380 57.758 56.400 -0.036 0.000 0.801 195 E CB -0.224 29.345 29.700 -0.218 0.000 0.746 195 E HN 0.589 nan 8.360 nan 0.000 0.450 196 A N 1.270 124.114 122.820 0.041 0.000 1.883 196 A HA -0.184 4.136 4.320 0.000 0.000 0.217 196 A C 2.194 179.812 177.584 0.057 0.000 1.186 196 A CA 1.472 53.530 52.037 0.035 0.000 0.624 196 A CB -0.447 18.582 19.000 0.048 0.000 0.822 196 A HN 0.144 nan 8.150 nan 0.000 0.444 197 R N -0.366 120.186 120.500 0.087 0.000 2.092 197 R HA 0.052 4.392 4.340 0.000 0.000 0.231 197 R C 1.969 178.357 176.300 0.147 0.000 1.119 197 R CA 1.164 57.330 56.100 0.111 0.000 0.970 197 R CB -0.947 29.427 30.300 0.125 0.000 0.864 197 R HN 0.660 nan 8.270 nan 0.000 0.440 198 I N 0.619 121.266 120.570 0.129 0.000 2.286 198 I HA -0.254 3.917 4.170 0.000 0.000 0.248 198 I C 2.207 178.467 176.117 0.239 0.000 1.115 198 I CA 1.204 62.617 61.300 0.188 0.000 1.392 198 I CB -0.257 37.797 38.000 0.090 0.000 1.065 198 I HN 0.023 nan 8.210 nan 0.000 0.418 199 I N 0.204 120.834 120.570 0.100 0.000 2.226 199 I HA -0.312 3.859 4.170 0.000 0.000 0.245 199 I C 2.594 178.741 176.117 0.050 0.000 1.100 199 I CA 1.420 62.750 61.300 0.050 0.000 1.374 199 I CB -0.432 37.562 38.000 -0.010 0.000 1.057 199 I HN 0.296 nan 8.210 nan 0.000 0.413 200 Q N -0.302 119.536 119.800 0.063 0.000 2.061 200 Q HA -0.284 4.056 4.340 0.000 0.000 0.204 200 Q C 2.042 178.062 176.000 0.034 0.000 0.984 200 Q CA 2.296 58.117 55.803 0.030 0.000 0.846 200 Q CB -0.381 28.376 28.738 0.032 0.000 0.902 200 Q HN 0.633 nan 8.270 nan 0.000 0.421 201 W N 1.606 122.869 121.300 -0.062 0.000 2.335 201 W HA -0.176 4.484 4.660 0.000 0.000 0.311 201 W C 1.925 178.426 176.519 -0.031 0.000 1.213 201 W CA 1.381 58.691 57.345 -0.059 0.000 1.274 201 W CB -0.139 29.335 29.460 0.024 0.000 1.148 201 W HN -0.088 nan 8.180 nan 0.000 0.498 202 R N -0.116 120.266 120.500 -0.197 0.000 2.096 202 R HA -0.125 4.215 4.340 0.000 0.000 0.235 202 R C 1.407 177.487 176.300 -0.366 0.000 1.127 202 R CA 1.437 57.240 56.100 -0.496 0.000 0.968 202 R CB -0.600 29.614 30.300 -0.143 0.000 0.861 202 R HN 0.295 nan 8.270 nan 0.000 0.440 203 N N 0.114 118.686 118.700 -0.213 0.000 2.270 203 N HA 0.064 4.804 4.740 0.000 0.000 0.198 203 N C -0.015 175.397 175.510 -0.164 0.000 1.117 203 N CA 0.586 53.539 53.050 -0.161 0.000 0.845 203 N CB 1.105 39.533 38.487 -0.098 0.000 0.980 203 N HN 0.099 nan 8.380 nan 0.000 0.486 204 A N 1.273 123.960 122.820 -0.222 0.000 2.704 204 A HA -0.236 4.084 4.320 0.000 0.000 0.299 204 A C 0.288 177.778 177.584 -0.157 0.000 1.507 204 A CA 0.368 52.280 52.037 -0.208 0.000 0.776 204 A CB -2.222 16.674 19.000 -0.173 0.000 1.027 204 A HN 0.446 nan 8.150 nan 0.000 0.475 205 N N 0.390 119.009 118.700 -0.135 0.000 2.452 205 N HA 0.222 4.962 4.740 0.000 0.000 0.266 205 N C -0.775 174.665 175.510 -0.118 0.000 1.175 205 N CA -1.115 51.876 53.050 -0.098 0.000 0.945 205 N CB 0.922 39.370 38.487 -0.064 0.000 1.063 205 N HN 0.280 nan 8.380 nan 0.000 0.472 206 P HA -0.091 nan 4.420 nan 0.000 0.230 206 P C 0.698 177.957 177.300 -0.068 0.000 1.158 206 P CA 0.995 64.040 63.100 -0.092 0.000 0.769 206 P CB 0.454 32.123 31.700 -0.052 0.000 0.807 207 Q N -0.670 119.103 119.800 -0.046 0.000 2.170 207 Q HA -0.134 4.206 4.340 0.000 0.000 0.203 207 Q C 2.093 178.090 176.000 -0.005 0.000 0.976 207 Q CA 0.808 56.603 55.803 -0.013 0.000 0.858 207 Q CB -0.551 28.185 28.738 -0.003 0.000 0.907 207 Q HN 0.182 nan 8.270 nan 0.000 0.433 208 L N 0.498 121.689 121.223 -0.053 0.000 1.994 208 L HA -0.107 4.233 4.340 0.000 0.000 0.208 208 L C 2.134 178.988 176.870 -0.026 0.000 1.071 208 L CA 2.230 57.046 54.840 -0.041 0.000 0.745 208 L CB -0.934 41.051 42.059 -0.123 0.000 0.892 208 L HN 0.101 nan 8.230 nan 0.000 0.431 209 A N -0.397 122.297 122.820 -0.210 0.000 1.933 209 A HA -0.099 4.221 4.320 0.000 0.000 0.218 209 A C 2.439 180.130 177.584 0.178 0.000 1.175 209 A CA 1.987 54.003 52.037 -0.034 0.000 0.628 209 A CB -1.212 17.712 19.000 -0.126 0.000 0.814 209 A HN 0.629 nan 8.150 nan 0.000 0.444 210 A N -0.028 122.847 122.820 0.092 0.000 1.873 210 A HA -0.146 4.174 4.320 0.000 0.000 0.215 210 A C 1.785 179.444 177.584 0.126 0.000 1.186 210 A CA 1.827 53.926 52.037 0.103 0.000 0.616 210 A CB -0.564 18.469 19.000 0.055 0.000 0.823 210 A HN 0.438 nan 8.150 nan 0.000 0.442 211 D N -1.699 118.774 120.400 0.122 0.000 2.144 211 D HA -0.137 4.503 4.640 0.000 0.000 0.200 211 D C 1.654 178.043 176.300 0.149 0.000 0.978 211 D CA 1.364 55.433 54.000 0.115 0.000 0.833 211 D CB -0.477 40.384 40.800 0.101 0.000 0.961 211 D HN 0.581 nan 8.370 nan 0.000 0.470 212 Y N 1.682 122.075 120.300 0.155 0.000 2.097 212 Y HA -0.252 4.298 4.550 0.000 0.000 0.282 212 Y C 2.559 178.568 175.900 0.182 0.000 1.152 212 Y CA 2.039 60.268 58.100 0.215 0.000 1.136 212 Y CB -0.090 38.598 38.460 0.379 0.000 0.975 212 Y HN -0.192 nan 8.280 nan 0.000 0.498 213 R N 0.152 120.845 120.500 0.322 0.000 2.091 213 R HA -0.187 4.154 4.340 0.000 0.000 0.238 213 R C 2.317 178.653 176.300 0.060 0.000 1.136 213 R CA 1.354 57.578 56.100 0.207 0.000 0.959 213 R CB -0.609 29.818 30.300 0.212 0.000 0.856 213 R HN 0.456 nan 8.270 nan 0.000 0.437 214 A N 0.721 123.572 122.820 0.052 0.000 1.972 214 A HA -0.110 4.210 4.320 0.000 0.000 0.219 214 A C 1.691 179.263 177.584 -0.021 0.000 1.169 214 A CA 1.172 53.221 52.037 0.019 0.000 0.635 214 A CB -0.173 18.846 19.000 0.030 0.000 0.810 214 A HN 0.211 nan 8.150 nan 0.000 0.446 215 R N -0.110 120.346 120.500 -0.074 0.000 2.362 215 R HA 0.164 4.504 4.340 0.000 0.000 0.227 215 R C 0.524 176.728 176.300 -0.159 0.000 0.905 215 R CA 0.265 56.303 56.100 -0.104 0.000 1.067 215 R CB -0.877 29.359 30.300 -0.107 0.000 1.078 215 R HN 0.387 nan 8.270 nan 0.000 0.516 216 S N 1.009 116.599 115.700 -0.184 0.000 2.510 216 S HA 0.165 4.635 4.470 0.000 0.000 0.279 216 S C 1.277 175.862 174.600 -0.024 0.000 1.284 216 S CA -0.326 57.790 58.200 -0.140 0.000 1.059 216 S CB 0.436 63.597 63.200 -0.065 0.000 0.901 216 S HN 0.221 nan 8.310 nan 0.000 0.491 217 L N 4.350 125.594 121.223 0.034 0.000 2.477 217 L HA 0.062 4.403 4.340 0.000 0.000 0.220 217 L C 2.320 179.201 176.870 0.018 0.000 1.106 217 L CA 0.406 55.283 54.840 0.063 0.000 0.851 217 L CB -0.417 41.734 42.059 0.153 0.000 0.994 217 L HN 0.609 nan 8.230 nan 0.000 0.462 218 T N -0.054 114.557 114.554 0.094 0.000 2.896 218 T HA 0.074 4.424 4.350 0.000 0.000 0.263 218 T C 1.059 175.721 174.700 -0.063 0.000 1.050 218 T CA 0.298 62.407 62.100 0.015 0.000 1.140 218 T CB 0.104 69.148 68.868 0.293 0.000 0.877 218 T HN -0.098 nan 8.240 nan 0.000 0.457 219 I N 1.783 122.347 120.570 -0.009 0.000 2.683 219 I HA 0.168 4.339 4.170 0.000 0.000 0.286 219 I C 1.833 177.920 176.117 -0.051 0.000 1.175 219 I CA 0.976 62.260 61.300 -0.028 0.000 1.429 219 I CB -0.381 37.624 38.000 0.009 0.000 1.371 219 I HN 0.590 nan 8.210 nan 0.000 0.569 220 G N 4.688 113.454 108.800 -0.058 0.000 2.225 220 G HA2 -0.248 3.712 3.960 0.000 0.000 0.254 220 G HA3 -0.248 3.712 3.960 0.000 0.000 0.254 220 G C 0.533 175.385 174.900 -0.080 0.000 0.988 220 G CA 0.429 45.495 45.100 -0.057 0.000 0.625 220 G HN 0.728 nan 8.290 nan 0.000 0.527 221 S N -0.211 115.414 115.700 -0.124 0.000 2.585 221 S HA 0.632 5.102 4.470 0.000 0.000 0.277 221 S C 0.606 175.136 174.600 -0.116 0.000 1.241 221 S CA -0.228 57.874 58.200 -0.164 0.000 1.041 221 S CB 1.002 63.982 63.200 -0.368 0.000 0.987 221 S HN 0.610 nan 8.310 nan 0.000 0.512 222 R N 2.053 122.504 120.500 -0.082 0.000 2.442 222 R HA 0.453 4.793 4.340 0.000 0.000 0.291 222 R C -0.573 175.710 176.300 -0.028 0.000 1.069 222 R CA -0.163 55.911 56.100 -0.044 0.000 1.022 222 R CB 0.236 30.522 30.300 -0.023 0.000 0.976 222 R HN 0.549 nan 8.270 nan 0.000 0.443 223 V N 1.330 121.243 119.914 -0.001 0.000 3.007 223 V HA 0.582 4.702 4.120 0.000 0.000 0.311 223 V C -0.994 175.130 176.094 0.050 0.000 1.120 223 V CA -1.166 61.166 62.300 0.053 0.000 0.980 223 V CB 1.942 33.812 31.823 0.078 0.000 1.033 223 V HN 0.830 nan 8.190 nan 0.000 0.429 224 R N 2.261 122.805 120.500 0.074 0.000 2.288 224 R HA 0.671 5.011 4.340 0.000 0.000 0.326 224 R C -1.456 174.889 176.300 0.075 0.000 0.959 224 R CA -0.454 55.681 56.100 0.058 0.000 0.834 224 R CB 1.702 32.033 30.300 0.052 0.000 1.157 224 R HN 0.785 nan 8.270 nan 0.000 0.470 225 V N 4.964 124.917 119.914 0.065 0.000 2.455 225 V HA 0.085 4.205 4.120 0.000 0.000 0.273 225 V C 0.254 176.387 176.094 0.065 0.000 1.045 225 V CA 0.021 62.371 62.300 0.084 0.000 0.976 225 V CB 1.153 33.017 31.823 0.069 0.000 0.993 225 V HN 0.735 nan 8.190 nan 0.000 0.475 226 E N 5.818 126.060 120.200 0.070 0.000 1.993 226 E HA 0.349 4.700 4.350 0.000 0.000 0.271 226 E C -0.665 175.962 176.600 0.045 0.000 1.008 226 E CA -0.261 56.168 56.400 0.048 0.000 0.814 226 E CB 0.814 30.538 29.700 0.039 0.000 1.098 226 E HN 0.560 nan 8.360 nan 0.000 0.407 227 L N 3.929 125.175 121.223 0.039 0.000 2.418 227 L HA 0.315 4.656 4.340 0.000 0.000 0.265 227 L C -1.927 174.957 176.870 0.024 0.000 1.143 227 L CA -2.091 52.770 54.840 0.035 0.000 0.809 227 L CB -0.096 41.981 42.059 0.031 0.000 1.124 227 L HN 0.224 nan 8.230 nan 0.000 0.456 228 P HA 0.108 nan 4.420 nan 0.000 0.270 228 P C 0.530 177.838 177.300 0.012 0.000 1.223 228 P CA 0.206 63.314 63.100 0.014 0.000 0.785 228 P CB 0.581 32.288 31.700 0.012 0.000 0.923 229 G N 0.662 109.468 108.800 0.010 0.000 2.147 229 G HA2 -0.031 3.929 3.960 0.000 0.000 0.244 229 G HA3 -0.031 3.929 3.960 0.000 0.000 0.244 229 G C 0.759 175.664 174.900 0.009 0.000 1.005 229 G CA 0.434 45.539 45.100 0.008 0.000 0.713 229 G HN 1.105 nan 8.290 nan 0.000 0.515 230 G N -1.574 107.232 108.800 0.010 0.000 2.160 230 G HA2 -0.187 3.773 3.960 0.000 0.000 0.244 230 G HA3 -0.187 3.773 3.960 0.000 0.000 0.244 230 G C 0.069 174.975 174.900 0.011 0.000 1.022 230 G CA 0.948 46.054 45.100 0.010 0.000 0.741 230 G HN 1.234 nan 8.290 nan 0.000 0.508 231 Q N 0.186 119.994 119.800 0.014 0.000 2.293 231 Q HA 0.557 4.897 4.340 0.000 0.000 0.261 231 Q C -1.120 174.891 176.000 0.019 0.000 0.960 231 Q CA -0.782 55.029 55.803 0.014 0.000 0.882 231 Q CB 1.676 30.422 28.738 0.014 0.000 1.275 231 Q HN 0.263 nan 8.270 nan 0.000 0.445 232 D N 1.230 121.640 120.400 0.018 0.000 2.342 232 D HA 0.538 5.178 4.640 0.000 0.000 0.243 232 D C -1.084 175.227 176.300 0.018 0.000 1.019 232 D CA -0.492 53.521 54.000 0.022 0.000 0.864 232 D CB 2.406 43.219 40.800 0.022 0.000 1.315 232 D HN 0.126 nan 8.370 nan 0.000 0.468 233 V N 1.494 121.421 119.914 0.021 0.000 2.569 233 V HA 0.318 4.438 4.120 0.000 0.000 0.301 233 V C -0.293 175.809 176.094 0.014 0.000 1.044 233 V CA -0.812 61.496 62.300 0.014 0.000 0.874 233 V CB 2.002 33.830 31.823 0.010 0.000 1.002 233 V HN 0.284 nan 8.190 nan 0.000 0.424 234 V N 4.168 124.087 119.914 0.009 0.000 2.398 234 V HA 0.984 5.104 4.120 0.000 0.000 0.286 234 V C 0.680 176.772 176.094 -0.003 0.000 1.026 234 V CA 0.440 62.745 62.300 0.008 0.000 0.868 234 V CB 1.242 33.071 31.823 0.009 0.000 0.982 234 V HN 1.079 nan 8.190 nan 0.000 0.443 235 G N 4.027 112.822 108.800 -0.009 0.000 2.634 235 G HA2 0.642 4.602 3.960 0.000 0.000 0.309 235 G HA3 0.642 4.602 3.960 0.000 0.000 0.309 235 G C -1.661 173.222 174.900 -0.028 0.000 1.299 235 G CA -0.726 44.362 45.100 -0.020 0.000 0.798 235 G HN 0.511 nan 8.290 nan 0.000 0.490 236 I N 1.411 121.959 120.570 -0.037 0.000 2.354 236 I HA 0.523 4.694 4.170 0.000 0.000 0.292 236 I C 0.718 176.797 176.117 -0.063 0.000 0.989 236 I CA -0.755 60.517 61.300 -0.047 0.000 1.188 236 I CB 1.881 39.857 38.000 -0.040 0.000 1.342 236 I HN 0.601 nan 8.210 nan 0.000 0.457 237 A N 5.775 128.548 122.820 -0.078 0.000 2.451 237 A HA 0.335 4.655 4.320 0.000 0.000 0.266 237 A C 0.791 178.326 177.584 -0.083 0.000 1.119 237 A CA -0.042 51.932 52.037 -0.104 0.000 0.786 237 A CB 0.150 19.080 19.000 -0.117 0.000 1.061 237 A HN 0.801 nan 8.150 nan 0.000 0.503 238 R N 0.304 120.755 120.500 -0.082 0.000 2.279 238 R HA 0.243 4.583 4.340 0.000 0.000 0.195 238 R C -0.481 175.794 176.300 -0.041 0.000 0.905 238 R CA 0.740 56.808 56.100 -0.053 0.000 1.044 238 R CB 0.520 30.793 30.300 -0.045 0.000 1.056 238 R HN 0.843 nan 8.270 nan 0.000 0.535 239 D N -1.637 118.725 120.400 -0.064 0.000 2.653 239 D HA 0.255 4.895 4.640 0.000 0.000 0.258 239 D C -1.448 174.801 176.300 -0.085 0.000 1.252 239 D CA -0.539 53.440 54.000 -0.034 0.000 0.777 239 D CB 1.430 42.219 40.800 -0.018 0.000 1.339 239 D HN -0.259 nan 8.370 nan 0.000 0.422 240 I N 2.589 123.146 120.570 -0.021 0.000 2.378 240 I HA 0.243 4.413 4.170 0.000 0.000 0.291 240 I C 0.257 176.388 176.117 0.024 0.000 0.992 240 I CA -0.676 60.584 61.300 -0.067 0.000 1.154 240 I CB 0.998 39.014 38.000 0.027 0.000 1.315 240 I HN 0.434 nan 8.210 nan 0.000 0.448 241 D N 4.595 124.986 120.400 -0.014 0.000 2.447 241 D HA 0.010 4.650 4.640 0.000 0.000 0.265 241 D C 0.706 177.130 176.300 0.206 0.000 1.250 241 D CA -0.238 53.803 54.000 0.068 0.000 1.046 241 D CB 0.623 41.436 40.800 0.023 0.000 1.095 241 D HN 0.548 nan 8.370 nan 0.000 0.555 242 D N -1.644 118.891 120.400 0.226 0.000 2.371 242 D HA -0.165 4.475 4.640 0.000 0.000 0.221 242 D C 1.106 177.717 176.300 0.518 0.000 0.986 242 D CA 0.894 55.111 54.000 0.362 0.000 0.899 242 D CB -0.416 40.507 40.800 0.205 0.000 0.902 242 D HN 0.542 nan 8.370 nan 0.000 0.530 243 Q N -0.555 119.411 119.800 0.276 0.000 2.319 243 Q HA 0.275 4.615 4.340 0.000 0.000 0.202 243 Q C 0.948 176.795 176.000 -0.255 0.000 0.896 243 Q CA 0.310 56.208 55.803 0.159 0.000 0.942 243 Q CB 0.586 29.371 28.738 0.078 0.000 1.083 243 Q HN 0.439 nan 8.270 nan 0.000 0.510 244 G N 1.912 110.370 108.800 -0.570 0.000 2.143 244 G HA2 -0.293 3.667 3.960 0.000 0.000 0.248 244 G HA3 -0.293 3.667 3.960 0.000 0.000 0.248 244 G C -0.110 174.632 174.900 -0.262 0.000 0.991 244 G CA -0.084 44.353 45.100 -1.105 0.000 0.689 244 G HN 0.207 nan 8.290 nan 0.000 0.522 245 R N -0.959 119.465 120.500 -0.127 0.000 2.500 245 R HA 0.639 4.979 4.340 0.000 0.000 0.277 245 R C -0.069 176.040 176.300 -0.318 0.000 1.026 245 R CA -0.966 55.118 56.100 -0.027 0.000 1.058 245 R CB 1.263 31.553 30.300 -0.017 0.000 1.078 245 R HN 0.157 nan 8.270 nan 0.000 0.509 246 L N 2.179 122.982 121.223 -0.699 0.000 2.281 246 L HA 0.215 4.555 4.340 0.000 0.000 0.285 246 L C -0.955 175.644 176.870 -0.451 0.000 1.074 246 L CA -0.110 54.165 54.840 -0.942 0.000 0.817 246 L CB 0.783 41.838 42.059 -1.673 0.000 1.168 246 L HN 0.671 nan 8.230 nan 0.000 0.434 247 C N 6.141 125.255 119.300 -0.309 0.000 2.255 247 C HA 0.536 4.996 4.460 0.000 0.000 0.326 247 C C -0.006 174.890 174.990 -0.157 0.000 1.258 247 C CA -0.894 58.017 59.018 -0.178 0.000 1.676 247 C CB -0.045 27.626 27.740 -0.115 0.000 2.314 247 C HN 0.675 nan 8.230 nan 0.000 0.509 248 L N 3.587 124.734 121.223 -0.127 0.000 2.322 248 L HA 0.505 4.845 4.340 0.000 0.000 0.281 248 L C -0.341 176.491 176.870 -0.064 0.000 1.014 248 L CA 0.228 55.010 54.840 -0.098 0.000 0.815 248 L CB 1.183 43.187 42.059 -0.092 0.000 1.247 248 L HN 0.640 nan 8.230 nan 0.000 0.421 249 D N 3.719 124.088 120.400 -0.052 0.000 2.313 249 D HA 0.259 4.899 4.640 0.000 0.000 0.239 249 D C -1.011 175.271 176.300 -0.030 0.000 1.142 249 D CA -0.085 53.893 54.000 -0.037 0.000 0.847 249 D CB 1.119 41.899 40.800 -0.032 0.000 1.082 249 D HN 0.232 nan 8.370 nan 0.000 0.480 250 V N 4.522 124.421 119.914 -0.025 0.000 2.239 250 V HA 0.429 4.549 4.120 0.000 0.000 0.267 250 V C 1.299 177.384 176.094 -0.015 0.000 1.056 250 V CA -0.295 61.994 62.300 -0.019 0.000 0.830 250 V CB 0.561 32.374 31.823 -0.016 0.000 1.090 250 V HN 0.895 nan 8.190 nan 0.000 0.459 251 G N 3.366 112.158 108.800 -0.014 0.000 2.356 251 G HA2 -0.004 3.956 3.960 0.000 0.000 0.296 251 G HA3 -0.004 3.956 3.960 0.000 0.000 0.296 251 G C 1.140 176.033 174.900 -0.011 0.000 1.022 251 G CA 0.692 45.786 45.100 -0.011 0.000 0.961 251 G HN 2.067 nan 8.290 nan 0.000 0.510 252 G N -1.636 107.156 108.800 -0.013 0.000 2.175 252 G HA2 -0.139 3.821 3.960 0.000 0.000 0.244 252 G HA3 -0.139 3.821 3.960 0.000 0.000 0.244 252 G C 0.344 175.237 174.900 -0.012 0.000 0.982 252 G CA 0.905 45.998 45.100 -0.012 0.000 0.641 252 G HN 1.462 nan 8.290 nan 0.000 0.527 253 R N 0.984 121.476 120.500 -0.014 0.000 2.338 253 R HA 0.639 4.979 4.340 0.000 0.000 0.317 253 R C -0.141 176.148 176.300 -0.019 0.000 0.968 253 R CA -0.026 56.066 56.100 -0.014 0.000 0.849 253 R CB 0.878 31.171 30.300 -0.012 0.000 1.128 253 R HN 0.040 nan 8.270 nan 0.000 0.448 254 T N 3.758 118.299 114.554 -0.021 0.000 2.817 254 T HA 0.383 4.733 4.350 0.000 0.000 0.293 254 T C -0.763 173.920 174.700 -0.028 0.000 0.964 254 T CA -0.347 61.736 62.100 -0.028 0.000 1.085 254 T CB 1.009 69.860 68.868 -0.028 0.000 0.921 254 T HN 0.271 nan 8.240 nan 0.000 0.502 255 V N 4.398 124.290 119.914 -0.037 0.000 2.487 255 V HA 0.458 4.578 4.120 0.000 0.000 0.298 255 V C -0.243 175.817 176.094 -0.056 0.000 1.028 255 V CA -0.798 61.480 62.300 -0.036 0.000 0.860 255 V CB 1.954 33.759 31.823 -0.030 0.000 0.991 255 V HN 0.667 nan 8.190 nan 0.000 0.427 256 V N 5.581 125.466 119.914 -0.049 0.000 2.417 256 V HA 0.624 4.744 4.120 0.000 0.000 0.291 256 V C -0.188 175.877 176.094 -0.047 0.000 1.024 256 V CA -0.596 61.663 62.300 -0.069 0.000 0.861 256 V CB 1.904 33.696 31.823 -0.052 0.000 0.985 256 V HN 0.756 nan 8.190 nan 0.000 0.436 257 V N 2.181 122.055 119.914 -0.067 0.000 2.604 257 V HA 0.841 4.961 4.120 0.000 0.000 0.305 257 V C 0.172 176.347 176.094 0.136 0.000 1.043 257 V CA -0.494 61.821 62.300 0.025 0.000 0.888 257 V CB 1.693 33.545 31.823 0.048 0.000 0.995 257 V HN 0.905 nan 8.190 nan 0.000 0.429 258 S N 3.794 119.589 115.700 0.159 0.000 2.624 258 S HA 0.740 5.210 4.470 0.000 0.000 0.263 258 S C 0.660 175.432 174.600 0.287 0.000 1.287 258 S CA -0.099 58.218 58.200 0.196 0.000 0.990 258 S CB 1.027 64.279 63.200 0.086 0.000 0.950 258 S HN 2.293 nan 8.310 nan 0.000 0.561 259 A N 0.743 123.639 122.820 0.125 0.000 2.584 259 A HA 0.536 4.856 4.320 0.000 0.000 0.239 259 A C 0.926 178.443 177.584 -0.111 0.000 1.043 259 A CA 0.488 52.412 52.037 -0.188 0.000 0.756 259 A CB -1.244 17.588 19.000 -0.280 0.000 0.963 259 A HN 1.903 nan 8.150 nan 0.000 0.511 260 G N 1.486 110.170 108.800 -0.193 0.000 2.321 260 G HA2 0.428 4.388 3.960 0.000 0.000 0.296 260 G HA3 0.428 4.388 3.960 0.000 0.000 0.296 260 G C -1.673 173.206 174.900 -0.035 0.000 1.287 260 G CA -0.779 44.275 45.100 -0.077 0.000 0.846 260 G HN 0.610 nan 8.290 nan 0.000 0.508 261 D N 0.346 120.749 120.400 0.004 0.000 2.455 261 D HA 0.409 5.050 4.640 0.000 0.000 0.241 261 D C 0.641 177.001 176.300 0.100 0.000 1.138 261 D CA 0.761 54.775 54.000 0.023 0.000 0.877 261 D CB 1.522 42.329 40.800 0.013 0.000 1.187 261 D HN 1.064 nan 8.370 nan 0.000 0.451 262 V N -0.302 119.683 119.914 0.119 0.000 2.971 262 V HA 0.705 4.825 4.120 0.000 0.000 0.309 262 V C -0.849 175.311 176.094 0.110 0.000 1.130 262 V CA -0.859 61.539 62.300 0.162 0.000 0.964 262 V CB 2.171 34.169 31.823 0.292 0.000 1.029 262 V HN 0.172 nan 8.190 nan 0.000 0.427 263 V N 3.446 123.430 119.914 0.117 0.000 2.448 263 V HA 0.487 4.607 4.120 0.000 0.000 0.295 263 V C -0.118 176.091 176.094 0.192 0.000 1.025 263 V CA -0.385 61.974 62.300 0.097 0.000 0.859 263 V CB 1.325 33.187 31.823 0.065 0.000 0.988 263 V HN 1.032 nan 8.190 nan 0.000 0.431 264 H N 4.888 123.985 119.070 0.046 0.000 2.767 264 H HA 0.431 4.987 4.556 0.000 0.000 0.316 264 H C -0.358 174.986 175.328 0.026 0.000 1.059 264 H CA -0.341 55.729 56.048 0.038 0.000 1.461 264 H CB 0.929 30.714 29.762 0.038 0.000 1.475 264 H HN 0.436 nan 8.280 nan 0.000 0.531 265 L N 0.000 121.293 121.223 0.117 0.000 2.949 265 L HA 0.000 4.340 4.340 0.000 0.000 0.249 265 L CA 0.000 54.877 54.840 0.061 0.000 0.813 265 L CB 0.000 42.082 42.059 0.038 0.000 0.961 265 L HN 0.000 nan 8.230 nan 0.000 0.502