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 1ofr_1_D DATA FIRST_RESID 18 DATA SEQUENCE GAEEDVRILG YDPLASPALL QVQIPATPTS LETAKRGRRE AIDIITGKDD DATA SEQUENCE RVLVIVGPCS IHDLEAAQEY ALRLKKLSDE LKGDLSIIMR AYLEKPRXXV DATA SEQUENCE GWKGLINDPD VNNTFNINKG LQSARQLFVN LTNIGLPIGS EMLDTISPQY DATA SEQUENCE LADLVSFGAI GARTTESQLH RELASGLSFP VGFKNGTDGT LNVAVDACQA DATA SEQUENCE AAHSHHFMGV TKHGVAAITT TKGNEHCFVI LRGGKKGTNY DAKSVAEAKA DATA SEQUENCE QLPAGSNGLM IDYSHGNSNK DFRNQPKVND VVCEQIANGE NAITGVMIES DATA SEQUENCE NINEGNQGIP AEGKAGLKYG VSITDACIGW ETTEDVLRKL AAAVRQRREV DATA SEQUENCE NKK 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 18 G HA2 0.000 nan 3.960 nan 0.000 0.244 18 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 18 G C 0.000 174.902 174.900 0.003 0.000 0.946 18 G CA 0.000 45.101 45.100 0.002 0.000 0.502 19 A N 0.890 123.713 122.820 0.004 0.000 2.530 19 A HA 0.679 4.999 4.320 -0.000 0.000 0.279 19 A C -0.625 176.963 177.584 0.007 0.000 1.109 19 A CA -0.420 51.620 52.037 0.005 0.000 0.763 19 A CB 0.852 19.855 19.000 0.005 0.000 1.257 19 A HN 0.119 nan 8.150 nan 0.000 0.424 20 E N 1.843 122.047 120.200 0.007 0.000 2.299 20 E HA 0.343 4.693 4.350 -0.000 0.000 0.272 20 E C -0.426 176.182 176.600 0.012 0.000 1.043 20 E CA 0.371 56.776 56.400 0.008 0.000 0.895 20 E CB 0.754 30.458 29.700 0.006 0.000 1.011 20 E HN 0.618 nan 8.360 nan 0.000 0.432 21 E N 2.026 122.236 120.200 0.017 0.000 2.407 21 E HA 0.052 4.402 4.350 -0.000 0.000 0.279 21 E C -1.087 175.532 176.600 0.032 0.000 1.012 21 E CA -0.585 55.830 56.400 0.026 0.000 0.800 21 E CB 1.555 31.273 29.700 0.030 0.000 1.276 21 E HN 0.414 nan 8.360 nan 0.000 0.452 22 D N 0.410 120.835 120.400 0.043 0.000 2.733 22 D HA -0.167 4.473 4.640 -0.000 0.000 0.232 22 D C 1.271 177.579 176.300 0.013 0.000 1.161 22 D CA 1.259 55.284 54.000 0.041 0.000 0.653 22 D CB -1.990 38.866 40.800 0.093 0.000 1.052 22 D HN 0.330 nan 8.370 nan 0.000 0.424 23 V N -2.922 116.995 119.914 0.004 0.000 2.809 23 V HA -0.073 4.046 4.120 -0.000 0.000 0.256 23 V C 1.851 177.934 176.094 -0.018 0.000 1.080 23 V CA 1.082 63.379 62.300 -0.005 0.000 1.102 23 V CB -0.187 31.634 31.823 -0.003 0.000 0.705 23 V HN 0.172 nan 8.190 nan 0.000 0.475 24 R N 0.114 120.599 120.500 -0.025 0.000 2.468 24 R HA 0.415 4.755 4.340 -0.000 0.000 0.280 24 R C -0.345 175.915 176.300 -0.068 0.000 0.963 24 R CA -0.223 55.852 56.100 -0.041 0.000 1.083 24 R CB 0.588 30.867 30.300 -0.035 0.000 1.200 24 R HN 0.360 nan 8.270 nan 0.000 0.541 25 I N 2.184 122.710 120.570 -0.073 0.000 2.330 25 I HA 0.094 4.264 4.170 -0.000 0.000 0.286 25 I C 1.328 177.366 176.117 -0.132 0.000 1.025 25 I CA -0.243 60.974 61.300 -0.139 0.000 1.197 25 I CB 1.329 39.239 38.000 -0.150 0.000 1.358 25 I HN 0.069 nan 8.210 nan 0.000 0.467 26 L N 5.283 126.416 121.223 -0.150 0.000 2.376 26 L HA 0.159 4.498 4.340 -0.000 0.000 0.219 26 L C 1.029 177.832 176.870 -0.112 0.000 1.133 26 L CA 0.314 55.085 54.840 -0.115 0.000 0.816 26 L CB -0.318 41.670 42.059 -0.119 0.000 0.933 26 L HN 0.834 nan 8.230 nan 0.000 0.449 27 G N -1.659 107.026 108.800 -0.193 0.000 2.345 27 G HA2 0.170 4.130 3.960 -0.000 0.000 0.310 27 G HA3 0.170 4.130 3.960 -0.000 0.000 0.310 27 G C -1.886 172.864 174.900 -0.249 0.000 1.476 27 G CA -0.910 44.117 45.100 -0.121 0.000 0.978 27 G HN -0.160 nan 8.290 nan 0.000 0.656 28 Y N 0.853 121.140 120.300 -0.022 0.000 2.352 28 Y HA 0.544 5.094 4.550 -0.000 0.000 0.339 28 Y C 0.223 176.115 175.900 -0.014 0.000 0.992 28 Y CA -0.842 57.247 58.100 -0.017 0.000 1.100 28 Y CB 1.877 40.331 38.460 -0.010 0.000 1.192 28 Y HN 0.381 nan 8.280 nan 0.000 0.458 29 D N 4.313 124.780 120.400 0.111 0.000 2.217 29 D HA 0.306 4.945 4.640 -0.000 0.000 0.248 29 D C -2.276 174.069 176.300 0.075 0.000 1.008 29 D CA -1.267 52.775 54.000 0.069 0.000 0.914 29 D CB 1.513 42.330 40.800 0.029 0.000 1.182 29 D HN 0.352 nan 8.370 nan 0.000 0.451 30 P HA 0.186 nan 4.420 nan 0.000 0.271 30 P C -0.873 176.456 177.300 0.048 0.000 1.216 30 P CA -0.481 62.648 63.100 0.048 0.000 0.776 30 P CB 0.905 32.625 31.700 0.033 0.000 0.881 31 L N 2.530 123.787 121.223 0.058 0.000 2.372 31 L HA 0.594 4.934 4.340 -0.000 0.000 0.273 31 L C -0.184 176.746 176.870 0.099 0.000 0.989 31 L CA -0.791 54.091 54.840 0.069 0.000 0.841 31 L CB 1.265 43.373 42.059 0.082 0.000 1.225 31 L HN 0.569 nan 8.230 nan 0.000 0.414 32 A N 3.547 126.427 122.820 0.100 0.000 2.567 32 A HA 0.400 4.720 4.320 -0.000 0.000 0.240 32 A C 0.705 178.421 177.584 0.221 0.000 1.053 32 A CA 0.678 52.790 52.037 0.125 0.000 0.755 32 A CB -0.348 18.723 19.000 0.118 0.000 0.978 32 A HN 1.007 nan 8.150 nan 0.000 0.507 33 S N 2.912 118.691 115.700 0.132 0.000 2.608 33 S HA 0.375 4.845 4.470 -0.000 0.000 0.261 33 S C -1.799 172.756 174.600 -0.076 0.000 1.314 33 S CA -0.609 57.633 58.200 0.070 0.000 0.992 33 S CB 0.464 63.682 63.200 0.029 0.000 0.935 33 S HN 0.439 nan 8.310 nan 0.000 0.564 34 P HA -0.039 nan 4.420 nan 0.000 0.213 34 P C 1.773 178.944 177.300 -0.215 0.000 1.170 34 P CA 2.097 64.773 63.100 -0.707 0.000 0.898 34 P CB -0.393 30.878 31.700 -0.716 0.000 0.787 35 A N -0.785 121.972 122.820 -0.106 0.000 1.927 35 A HA -0.240 4.079 4.320 -0.000 0.000 0.220 35 A C 2.193 179.795 177.584 0.030 0.000 1.185 35 A CA 1.901 53.936 52.037 -0.004 0.000 0.639 35 A CB -1.781 17.285 19.000 0.111 0.000 0.820 35 A HN 0.165 nan 8.150 nan 0.000 0.451 36 L N -0.997 120.250 121.223 0.040 0.000 2.027 36 L HA -0.076 4.264 4.340 -0.000 0.000 0.206 36 L C 2.219 179.119 176.870 0.050 0.000 1.074 36 L CA 1.522 56.389 54.840 0.045 0.000 0.745 36 L CB -0.463 41.624 42.059 0.047 0.000 0.898 36 L HN 0.321 nan 8.230 nan 0.000 0.433 37 L N -0.311 120.954 121.223 0.070 0.000 2.046 37 L HA -0.227 4.112 4.340 -0.000 0.000 0.208 37 L C 2.511 179.418 176.870 0.063 0.000 1.077 37 L CA 1.793 56.691 54.840 0.098 0.000 0.747 37 L CB -1.120 41.066 42.059 0.213 0.000 0.896 37 L HN 0.528 nan 8.230 nan 0.000 0.432 38 Q N -1.525 118.296 119.800 0.035 0.000 2.364 38 Q HA -0.139 4.201 4.340 -0.000 0.000 0.209 38 Q C 2.047 178.064 176.000 0.029 0.000 0.977 38 Q CA 0.966 56.786 55.803 0.028 0.000 0.885 38 Q CB 0.107 28.847 28.738 0.003 0.000 0.941 38 Q HN 0.394 nan 8.270 nan 0.000 0.464 39 V N 0.339 120.272 119.914 0.031 0.000 2.575 39 V HA -0.157 3.963 4.120 -0.000 0.000 0.242 39 V C 1.963 178.075 176.094 0.031 0.000 1.045 39 V CA 1.142 63.460 62.300 0.029 0.000 1.065 39 V CB -0.203 31.637 31.823 0.029 0.000 0.717 39 V HN 0.296 nan 8.190 nan 0.000 0.467 40 Q N 0.033 119.854 119.800 0.035 0.000 2.170 40 Q HA 0.009 4.349 4.340 -0.000 0.000 0.203 40 Q C 0.542 176.562 176.000 0.033 0.000 0.976 40 Q CA 1.181 57.003 55.803 0.033 0.000 0.858 40 Q CB 0.126 28.886 28.738 0.036 0.000 0.907 40 Q HN 0.508 nan 8.270 nan 0.000 0.433 41 I N 2.123 122.715 120.570 0.038 0.000 2.782 41 I HA 0.244 4.414 4.170 -0.000 0.000 0.279 41 I C -2.366 173.776 176.117 0.042 0.000 1.247 41 I CA -2.098 59.225 61.300 0.038 0.000 1.062 41 I CB 1.267 39.291 38.000 0.040 0.000 1.421 41 I HN -0.107 nan 8.210 nan 0.000 0.558 42 P HA 0.147 nan 4.420 nan 0.000 0.272 42 P C -0.390 176.937 177.300 0.044 0.000 1.223 42 P CA -0.198 62.924 63.100 0.037 0.000 0.784 42 P CB 1.410 33.128 31.700 0.030 0.000 0.923 43 A N 2.252 125.100 122.820 0.046 0.000 2.289 43 A HA 0.475 4.794 4.320 -0.000 0.000 0.298 43 A C 0.897 178.507 177.584 0.043 0.000 1.208 43 A CA -0.305 51.764 52.037 0.053 0.000 0.845 43 A CB -0.398 18.639 19.000 0.061 0.000 1.125 43 A HN 0.645 nan 8.150 nan 0.000 0.517 44 T N 0.997 115.576 114.554 0.042 0.000 2.802 44 T HA 0.278 4.628 4.350 -0.000 0.000 0.305 44 T C -1.713 173.007 174.700 0.033 0.000 1.053 44 T CA -0.861 61.259 62.100 0.034 0.000 1.058 44 T CB 0.433 69.320 68.868 0.032 0.000 0.988 44 T HN 0.324 nan 8.240 nan 0.000 0.539 45 P HA -0.015 nan 4.420 nan 0.000 0.218 45 P C 1.558 178.874 177.300 0.027 0.000 1.149 45 P CA 0.933 64.049 63.100 0.026 0.000 0.817 45 P CB -0.128 31.585 31.700 0.022 0.000 0.785 46 T N -1.142 113.428 114.554 0.026 0.000 2.737 46 T HA -0.095 4.254 4.350 -0.000 0.000 0.265 46 T C 1.973 176.691 174.700 0.030 0.000 1.038 46 T CA 1.650 63.765 62.100 0.025 0.000 1.144 46 T CB -0.870 68.011 68.868 0.022 0.000 0.866 46 T HN 0.081 nan 8.240 nan 0.000 0.434 47 S N 1.622 117.344 115.700 0.036 0.000 2.359 47 S HA -0.029 4.440 4.470 -0.000 0.000 0.224 47 S C 2.040 176.669 174.600 0.047 0.000 1.035 47 S CA 1.069 59.296 58.200 0.044 0.000 1.018 47 S CB -0.565 62.668 63.200 0.056 0.000 0.876 47 S HN 0.371 nan 8.310 nan 0.000 0.448 48 L N 0.907 122.159 121.223 0.048 0.000 2.191 48 L HA -0.090 4.250 4.340 -0.000 0.000 0.212 48 L C 2.651 179.548 176.870 0.046 0.000 1.103 48 L CA 1.037 55.908 54.840 0.051 0.000 0.769 48 L CB -0.466 41.621 42.059 0.046 0.000 0.908 48 L HN 0.236 nan 8.230 nan 0.000 0.438 49 E N 0.257 120.479 120.200 0.038 0.000 2.046 49 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 49 E C 2.108 178.728 176.600 0.033 0.000 0.982 49 E CA 1.631 58.051 56.400 0.033 0.000 0.800 49 E CB -0.221 29.495 29.700 0.027 0.000 0.756 49 E HN 0.228 nan 8.360 nan 0.000 0.449 50 T N 0.549 115.120 114.554 0.030 0.000 2.720 50 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 50 T C 1.792 176.509 174.700 0.028 0.000 1.037 50 T CA 1.699 63.814 62.100 0.024 0.000 1.144 50 T CB -0.505 68.375 68.868 0.020 0.000 0.864 50 T HN 0.328 nan 8.240 nan 0.000 0.444 51 A N 1.636 124.479 122.820 0.037 0.000 1.902 51 A HA -0.100 4.219 4.320 -0.000 0.000 0.217 51 A C 2.289 179.912 177.584 0.065 0.000 1.181 51 A CA 1.334 53.398 52.037 0.045 0.000 0.623 51 A CB -0.343 18.694 19.000 0.062 0.000 0.818 51 A HN 0.406 nan 8.150 nan 0.000 0.443 52 K N -0.849 119.589 120.400 0.064 0.000 2.097 52 K HA -0.103 4.216 4.320 -0.000 0.000 0.205 52 K C 2.336 178.972 176.600 0.059 0.000 1.050 52 K CA 1.152 57.482 56.287 0.070 0.000 0.938 52 K CB -0.148 32.387 32.500 0.060 0.000 0.718 52 K HN 0.477 nan 8.250 nan 0.000 0.442 53 R N 0.759 121.285 120.500 0.043 0.000 2.062 53 R HA -0.117 4.223 4.340 -0.000 0.000 0.231 53 R C 2.381 178.700 176.300 0.032 0.000 1.136 53 R CA 1.713 57.832 56.100 0.032 0.000 0.948 53 R CB -0.588 29.725 30.300 0.022 0.000 0.845 53 R HN 0.255 nan 8.270 nan 0.000 0.430 54 G N 0.831 109.650 108.800 0.032 0.000 2.469 54 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.219 54 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.219 54 G C 1.413 176.346 174.900 0.054 0.000 1.150 54 G CA 0.925 46.043 45.100 0.031 0.000 0.763 54 G HN 0.362 nan 8.290 nan 0.000 0.561 55 R N -0.146 120.405 120.500 0.085 0.000 2.096 55 R HA 0.041 4.381 4.340 -0.000 0.000 0.235 55 R C 2.786 179.137 176.300 0.085 0.000 1.127 55 R CA 0.939 57.116 56.100 0.128 0.000 0.968 55 R CB -0.265 30.140 30.300 0.176 0.000 0.861 55 R HN 0.301 nan 8.270 nan 0.000 0.440 56 R N 0.894 121.428 120.500 0.058 0.000 2.062 56 R HA -0.108 4.232 4.340 -0.000 0.000 0.231 56 R C 2.188 178.487 176.300 -0.002 0.000 1.136 56 R CA 1.437 57.555 56.100 0.030 0.000 0.948 56 R CB -0.186 30.132 30.300 0.029 0.000 0.845 56 R HN 0.337 nan 8.270 nan 0.000 0.430 57 E N 0.566 120.764 120.200 -0.003 0.000 2.038 57 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 57 E C 2.074 178.646 176.600 -0.047 0.000 1.000 57 E CA 1.321 57.706 56.400 -0.025 0.000 0.803 57 E CB -0.175 29.512 29.700 -0.022 0.000 0.750 57 E HN 0.351 nan 8.360 nan 0.000 0.448 58 A N 1.182 123.984 122.820 -0.031 0.000 1.908 58 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 58 A C 2.188 179.719 177.584 -0.088 0.000 1.181 58 A CA 1.345 53.352 52.037 -0.049 0.000 0.627 58 A CB -0.687 18.339 19.000 0.043 0.000 0.818 58 A HN 0.171 nan 8.150 nan 0.000 0.445 59 I N -0.249 120.267 120.570 -0.090 0.000 2.226 59 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 59 I C 1.873 177.875 176.117 -0.191 0.000 1.100 59 I CA 1.453 62.615 61.300 -0.230 0.000 1.374 59 I CB -0.485 37.340 38.000 -0.293 0.000 1.057 59 I HN 0.274 nan 8.210 nan 0.000 0.413 60 D N 1.032 121.363 120.400 -0.114 0.000 2.117 60 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 60 D C 2.289 178.536 176.300 -0.089 0.000 0.987 60 D CA 1.383 55.334 54.000 -0.083 0.000 0.829 60 D CB -0.138 40.630 40.800 -0.052 0.000 0.961 60 D HN 0.344 nan 8.370 nan 0.000 0.460 61 I N 1.349 121.856 120.570 -0.105 0.000 2.179 61 I HA -0.218 3.951 4.170 -0.000 0.000 0.242 61 I C 2.567 178.597 176.117 -0.146 0.000 1.088 61 I CA 0.879 62.108 61.300 -0.118 0.000 1.357 61 I CB -0.329 37.589 38.000 -0.137 0.000 1.051 61 I HN 0.017 nan 8.210 nan 0.000 0.409 62 I N -0.942 119.510 120.570 -0.196 0.000 2.830 62 I HA -0.133 4.037 4.170 -0.000 0.000 0.263 62 I C 2.122 178.177 176.117 -0.104 0.000 1.230 62 I CA 1.495 62.664 61.300 -0.218 0.000 1.480 62 I CB -0.605 37.191 38.000 -0.340 0.000 1.095 62 I HN 0.186 nan 8.210 nan 0.000 0.455 63 T N -2.593 111.908 114.554 -0.089 0.000 3.086 63 T HA 0.468 4.818 4.350 -0.000 0.000 0.250 63 T C 1.548 176.235 174.700 -0.022 0.000 1.074 63 T CA 0.304 62.382 62.100 -0.036 0.000 0.988 63 T CB 0.320 69.164 68.868 -0.040 0.000 0.988 63 T HN 0.700 nan 8.240 nan 0.000 0.530 64 G N 1.770 110.547 108.800 -0.039 0.000 2.175 64 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.244 64 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.244 64 G C 0.798 175.684 174.900 -0.023 0.000 0.982 64 G CA 0.323 45.407 45.100 -0.026 0.000 0.641 64 G HN 0.544 nan 8.290 nan 0.000 0.527 65 K N -0.155 120.228 120.400 -0.028 0.000 2.366 65 K HA 0.153 4.472 4.320 -0.000 0.000 0.198 65 K C 0.374 176.959 176.600 -0.025 0.000 1.044 65 K CA 0.888 57.162 56.287 -0.022 0.000 0.973 65 K CB 0.190 32.678 32.500 -0.021 0.000 0.767 65 K HN 0.410 nan 8.250 nan 0.000 0.475 66 D N 0.060 120.439 120.400 -0.035 0.000 2.780 66 D HA 0.024 4.663 4.640 -0.000 0.000 0.242 66 D C -0.548 175.729 176.300 -0.038 0.000 1.135 66 D CA -0.728 53.251 54.000 -0.035 0.000 0.859 66 D CB 1.600 42.375 40.800 -0.042 0.000 1.530 66 D HN 0.037 nan 8.370 nan 0.000 0.493 67 D N 1.298 121.680 120.400 -0.031 0.000 2.349 67 D HA 0.035 4.675 4.640 -0.000 0.000 0.224 67 D C 0.424 176.704 176.300 -0.034 0.000 1.029 67 D CA 0.138 54.120 54.000 -0.029 0.000 0.879 67 D CB 0.255 41.043 40.800 -0.020 0.000 0.906 67 D HN 0.052 nan 8.370 nan 0.000 0.528 68 R N -0.100 120.375 120.500 -0.041 0.000 2.652 68 R HA 0.512 4.852 4.340 -0.000 0.000 0.272 68 R C -0.625 175.638 176.300 -0.062 0.000 1.162 68 R CA -0.711 55.361 56.100 -0.047 0.000 1.199 68 R CB 1.035 31.307 30.300 -0.047 0.000 1.166 68 R HN -0.023 nan 8.270 nan 0.000 0.597 69 V N 2.114 121.988 119.914 -0.067 0.000 2.448 69 V HA 0.166 4.286 4.120 -0.000 0.000 0.295 69 V C -0.585 175.442 176.094 -0.113 0.000 1.025 69 V CA -0.842 61.407 62.300 -0.086 0.000 0.859 69 V CB 1.636 33.418 31.823 -0.068 0.000 0.988 69 V HN 0.397 nan 8.190 nan 0.000 0.431 70 L N 6.939 128.070 121.223 -0.153 0.000 2.360 70 L HA 0.447 4.786 4.340 -0.000 0.000 0.276 70 L C -0.284 176.462 176.870 -0.206 0.000 1.121 70 L CA 0.591 55.317 54.840 -0.190 0.000 0.845 70 L CB 1.105 43.008 42.059 -0.261 0.000 1.143 70 L HN 0.448 nan 8.230 nan 0.000 0.452 71 V N 7.178 126.978 119.914 -0.189 0.000 2.349 71 V HA 0.345 4.465 4.120 -0.000 0.000 0.284 71 V C -0.161 175.812 176.094 -0.201 0.000 1.014 71 V CA -0.619 61.561 62.300 -0.199 0.000 0.826 71 V CB 1.414 33.146 31.823 -0.152 0.000 1.009 71 V HN 0.482 nan 8.190 nan 0.000 0.431 72 I N 5.936 126.353 120.570 -0.255 0.000 2.269 72 I HA 0.388 4.558 4.170 -0.000 0.000 0.293 72 I C -0.033 175.991 176.117 -0.155 0.000 1.106 72 I CA -0.034 61.135 61.300 -0.219 0.000 1.248 72 I CB 0.986 38.805 38.000 -0.301 0.000 1.444 72 I HN 0.343 nan 8.210 nan 0.000 0.497 73 V N 5.837 125.700 119.914 -0.083 0.000 2.735 73 V HA 1.029 5.148 4.120 -0.000 0.000 0.310 73 V C -0.058 176.058 176.094 0.036 0.000 1.061 73 V CA 0.121 62.395 62.300 -0.042 0.000 0.913 73 V CB 1.838 33.653 31.823 -0.013 0.000 1.005 73 V HN 0.975 nan 8.190 nan 0.000 0.428 74 G N 5.151 113.942 108.800 -0.016 0.000 2.337 74 G HA2 0.329 4.288 3.960 -0.000 0.000 0.298 74 G HA3 0.329 4.288 3.960 -0.000 0.000 0.298 74 G C -3.512 171.233 174.900 -0.258 0.000 1.335 74 G CA -0.621 44.387 45.100 -0.153 0.000 0.875 74 G HN 0.673 nan 8.290 nan 0.000 0.579 75 P HA 0.102 nan 4.420 nan 0.000 0.269 75 P C 1.270 178.466 177.300 -0.174 0.000 1.205 75 P CA 0.136 63.083 63.100 -0.255 0.000 0.780 75 P CB 0.653 32.205 31.700 -0.246 0.000 0.858 76 C N 0.869 120.103 119.300 -0.110 0.000 2.435 76 C HA 0.037 4.496 4.460 -0.000 0.000 0.279 76 C C 0.686 175.688 174.990 0.020 0.000 1.321 76 C CA 1.550 60.529 59.018 -0.066 0.000 1.752 76 C CB -1.499 26.237 27.740 -0.006 0.000 1.959 76 C HN 0.739 nan 8.230 nan 0.000 0.500 77 S N 0.077 115.831 115.700 0.090 0.000 2.556 77 S HA 0.547 5.017 4.470 -0.000 0.000 0.280 77 S C -1.261 173.480 174.600 0.235 0.000 1.141 77 S CA -0.811 57.546 58.200 0.262 0.000 0.883 77 S CB 0.476 63.917 63.200 0.402 0.000 1.103 77 S HN 0.189 nan 8.310 nan 0.000 0.453 78 I N 4.536 125.277 120.570 0.286 0.000 2.428 78 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 78 I C 1.207 177.521 176.117 0.328 0.000 1.019 78 I CA -0.240 61.195 61.300 0.225 0.000 1.351 78 I CB 0.565 38.666 38.000 0.168 0.000 1.412 78 I HN 1.112 nan 8.210 nan 0.000 0.513 79 H N 2.272 121.299 119.070 -0.070 0.000 3.680 79 H HA 0.266 4.822 4.556 -0.000 0.000 0.260 79 H C -0.675 174.583 175.328 -0.117 0.000 1.183 79 H CA -0.250 55.686 56.048 -0.187 0.000 1.159 79 H CB 0.978 30.198 29.762 -0.903 0.000 1.567 79 H HN 0.526 nan 8.280 nan 0.000 0.648 80 D N 1.438 121.459 120.400 -0.632 0.000 2.469 80 D HA 0.164 4.803 4.640 -0.000 0.000 0.251 80 D C 0.541 176.719 176.300 -0.203 0.000 1.173 80 D CA -0.525 53.186 54.000 -0.481 0.000 0.882 80 D CB 1.749 42.142 40.800 -0.679 0.000 1.129 80 D HN 0.017 nan 8.370 nan 0.000 0.549 81 L N 3.394 124.563 121.223 -0.091 0.000 2.275 81 L HA -0.085 4.255 4.340 -0.000 0.000 0.215 81 L C 1.932 178.794 176.870 -0.013 0.000 1.119 81 L CA 1.363 56.190 54.840 -0.022 0.000 0.790 81 L CB -0.134 41.931 42.059 0.009 0.000 0.919 81 L HN 0.379 nan 8.230 nan 0.000 0.443 82 E N -0.538 119.653 120.200 -0.016 0.000 2.016 82 E HA -0.062 4.288 4.350 -0.000 0.000 0.190 82 E C 2.371 178.997 176.600 0.043 0.000 0.985 82 E CA 1.286 57.703 56.400 0.028 0.000 0.802 82 E CB -0.695 29.038 29.700 0.055 0.000 0.762 82 E HN 0.349 nan 8.360 nan 0.000 0.448 83 A N 1.098 123.921 122.820 0.004 0.000 1.940 83 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 83 A C 2.339 179.871 177.584 -0.088 0.000 1.176 83 A CA 2.075 54.039 52.037 -0.121 0.000 0.631 83 A CB -0.887 17.842 19.000 -0.452 0.000 0.814 83 A HN 0.263 nan 8.150 nan 0.000 0.446 84 A N -1.325 121.450 122.820 -0.075 0.000 2.015 84 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 84 A C 2.102 179.707 177.584 0.035 0.000 1.163 84 A CA 1.967 53.984 52.037 -0.033 0.000 0.646 84 A CB -0.352 18.633 19.000 -0.025 0.000 0.806 84 A HN 0.524 nan 8.150 nan 0.000 0.448 85 Q N 0.025 119.842 119.800 0.029 0.000 2.137 85 Q HA -0.089 4.250 4.340 -0.000 0.000 0.198 85 Q C 1.891 177.906 176.000 0.024 0.000 0.960 85 Q CA 1.886 57.710 55.803 0.034 0.000 0.847 85 Q CB -0.274 28.481 28.738 0.028 0.000 0.915 85 Q HN 0.765 nan 8.270 nan 0.000 0.448 86 E N -1.267 118.950 120.200 0.029 0.000 2.031 86 E HA -0.245 4.104 4.350 -0.000 0.000 0.193 86 E C 1.745 178.302 176.600 -0.072 0.000 0.994 86 E CA 1.179 57.576 56.400 -0.005 0.000 0.800 86 E CB -0.371 29.364 29.700 0.059 0.000 0.752 86 E HN 0.501 nan 8.360 nan 0.000 0.447 87 Y N 0.832 121.032 120.300 -0.167 0.000 2.128 87 Y HA -0.259 4.290 4.550 -0.000 0.000 0.284 87 Y C 2.088 177.863 175.900 -0.209 0.000 1.154 87 Y CA 1.955 59.919 58.100 -0.227 0.000 1.149 87 Y CB -0.641 37.749 38.460 -0.116 0.000 0.976 87 Y HN 0.172 nan 8.280 nan 0.000 0.505 88 A N 0.177 123.084 122.820 0.145 0.000 1.940 88 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 88 A C 2.200 179.746 177.584 -0.063 0.000 1.176 88 A CA 1.709 53.794 52.037 0.080 0.000 0.631 88 A CB -0.966 18.081 19.000 0.079 0.000 0.814 88 A HN 0.486 nan 8.150 nan 0.000 0.446 89 L N -0.346 120.813 121.223 -0.107 0.000 1.994 89 L HA -0.157 4.182 4.340 -0.000 0.000 0.208 89 L C 2.686 179.425 176.870 -0.218 0.000 1.071 89 L CA 1.976 56.739 54.840 -0.129 0.000 0.745 89 L CB -1.430 40.560 42.059 -0.115 0.000 0.892 89 L HN 0.463 nan 8.230 nan 0.000 0.431 90 R N -0.538 119.709 120.500 -0.421 0.000 2.097 90 R HA -0.229 4.111 4.340 -0.000 0.000 0.236 90 R C 2.094 178.147 176.300 -0.411 0.000 1.135 90 R CA 1.378 57.096 56.100 -0.636 0.000 0.934 90 R CB -0.850 28.564 30.300 -1.477 0.000 0.846 90 R HN 0.164 nan 8.270 nan 0.000 0.431 91 L N 1.679 122.635 121.223 -0.444 0.000 2.187 91 L HA -0.192 4.148 4.340 -0.000 0.000 0.213 91 L C 2.137 179.027 176.870 0.033 0.000 1.100 91 L CA 1.793 56.643 54.840 0.018 0.000 0.765 91 L CB -0.380 41.703 42.059 0.041 0.000 0.904 91 L HN -0.021 nan 8.230 nan 0.000 0.437 92 K N 0.180 120.560 120.400 -0.034 0.000 2.007 92 K HA -0.183 4.137 4.320 -0.000 0.000 0.206 92 K C 2.209 178.809 176.600 -0.001 0.000 1.047 92 K CA 1.864 58.145 56.287 -0.009 0.000 0.937 92 K CB -0.396 32.090 32.500 -0.023 0.000 0.718 92 K HN 0.283 nan 8.250 nan 0.000 0.438 93 K N 0.400 120.789 120.400 -0.019 0.000 2.015 93 K HA -0.209 4.111 4.320 -0.000 0.000 0.216 93 K C 2.205 178.822 176.600 0.027 0.000 1.052 93 K CA 2.020 58.305 56.287 -0.003 0.000 0.937 93 K CB -0.538 31.950 32.500 -0.019 0.000 0.719 93 K HN 0.269 nan 8.250 nan 0.000 0.446 94 L N 0.604 121.868 121.223 0.067 0.000 1.990 94 L HA -0.260 4.080 4.340 -0.000 0.000 0.213 94 L C 2.464 179.363 176.870 0.049 0.000 1.072 94 L CA 2.165 57.059 54.840 0.089 0.000 0.755 94 L CB -0.609 41.562 42.059 0.186 0.000 0.889 94 L HN 0.307 nan 8.230 nan 0.000 0.432 95 S N -0.622 115.107 115.700 0.047 0.000 2.420 95 S HA -0.243 4.227 4.470 -0.000 0.000 0.237 95 S C 1.591 176.197 174.600 0.011 0.000 1.023 95 S CA 1.726 59.940 58.200 0.023 0.000 0.991 95 S CB -0.521 62.692 63.200 0.022 0.000 0.792 95 S HN 0.569 nan 8.310 nan 0.000 0.488 96 D N 0.877 121.284 120.400 0.012 0.000 2.097 96 D HA -0.111 4.529 4.640 -0.000 0.000 0.195 96 D C 1.931 178.234 176.300 0.004 0.000 0.989 96 D CA 1.301 55.304 54.000 0.006 0.000 0.827 96 D CB -0.591 40.212 40.800 0.005 0.000 0.966 96 D HN 0.675 nan 8.370 nan 0.000 0.456 97 E N 0.649 120.854 120.200 0.009 0.000 2.033 97 E HA -0.169 4.180 4.350 -0.000 0.000 0.199 97 E C 1.866 178.466 176.600 -0.000 0.000 1.011 97 E CA 0.979 57.382 56.400 0.006 0.000 0.815 97 E CB -0.114 29.593 29.700 0.012 0.000 0.755 97 E HN 0.212 nan 8.360 nan 0.000 0.451 98 L N 1.167 122.388 121.223 -0.002 0.000 2.627 98 L HA 0.059 4.398 4.340 -0.000 0.000 0.233 98 L C 1.927 178.789 176.870 -0.013 0.000 1.144 98 L CA 0.308 55.142 54.840 -0.010 0.000 0.892 98 L CB -0.465 41.584 42.059 -0.016 0.000 1.039 98 L HN 0.146 nan 8.230 nan 0.000 0.442 99 K N 0.580 120.974 120.400 -0.010 0.000 2.585 99 K HA -0.038 4.282 4.320 -0.000 0.000 0.194 99 K C 1.522 178.113 176.600 -0.015 0.000 1.037 99 K CA 1.047 57.327 56.287 -0.013 0.000 0.964 99 K CB -0.193 32.302 32.500 -0.008 0.000 0.787 99 K HN 0.209 nan 8.250 nan 0.000 0.488 100 G N 0.199 108.990 108.800 -0.014 0.000 3.020 100 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.217 100 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.217 100 G C 0.460 175.349 174.900 -0.019 0.000 1.144 100 G CA -0.007 45.084 45.100 -0.015 0.000 0.760 100 G HN 0.277 nan 8.290 nan 0.000 0.548 101 D N -0.413 119.974 120.400 -0.022 0.000 2.871 101 D HA 0.172 4.811 4.640 -0.000 0.000 0.291 101 D C 0.913 177.192 176.300 -0.035 0.000 1.150 101 D CA 0.034 54.018 54.000 -0.026 0.000 0.999 101 D CB 0.554 41.341 40.800 -0.023 0.000 1.452 101 D HN 0.151 nan 8.370 nan 0.000 0.465 102 L N 0.646 121.847 121.223 -0.036 0.000 2.375 102 L HA 0.467 4.807 4.340 -0.000 0.000 0.268 102 L C 0.265 177.107 176.870 -0.047 0.000 1.058 102 L CA -0.506 54.305 54.840 -0.048 0.000 0.803 102 L CB 1.790 43.820 42.059 -0.048 0.000 1.212 102 L HN -0.129 nan 8.230 nan 0.000 0.451 103 S N 2.381 118.044 115.700 -0.062 0.000 2.542 103 S HA 0.514 4.984 4.470 -0.000 0.000 0.245 103 S C -0.506 174.053 174.600 -0.069 0.000 1.325 103 S CA -0.587 57.578 58.200 -0.059 0.000 1.176 103 S CB -0.034 63.124 63.200 -0.069 0.000 1.045 103 S HN 0.405 nan 8.310 nan 0.000 0.481 104 I N 4.953 125.495 120.570 -0.047 0.000 2.519 104 I HA 0.407 4.577 4.170 -0.000 0.000 0.287 104 I C -0.119 175.977 176.117 -0.036 0.000 1.047 104 I CA -0.249 61.026 61.300 -0.042 0.000 1.381 104 I CB 0.974 38.968 38.000 -0.010 0.000 1.417 104 I HN 0.496 nan 8.210 nan 0.000 0.540 105 I N 6.357 126.899 120.570 -0.047 0.000 2.534 105 I HA 0.309 4.478 4.170 -0.000 0.000 0.288 105 I C -0.361 175.750 176.117 -0.009 0.000 1.077 105 I CA -0.600 60.679 61.300 -0.035 0.000 1.051 105 I CB 2.119 40.077 38.000 -0.070 0.000 1.234 105 I HN 0.590 nan 8.210 nan 0.000 0.425 106 M N 5.719 125.328 119.600 0.016 0.000 2.235 106 M HA 0.401 4.880 4.480 -0.000 0.000 0.351 106 M C -0.329 175.982 176.300 0.018 0.000 1.178 106 M CA -0.098 55.228 55.300 0.044 0.000 1.143 106 M CB 0.802 33.445 32.600 0.071 0.000 1.530 106 M HN 0.475 nan 8.290 nan 0.000 0.461 107 R N 3.536 124.041 120.500 0.008 0.000 2.242 107 R HA 0.396 4.735 4.340 -0.000 0.000 0.334 107 R C -0.834 175.508 176.300 0.071 0.000 1.071 107 R CA -0.124 55.991 56.100 0.024 0.000 0.922 107 R CB 0.477 30.687 30.300 -0.151 0.000 1.023 107 R HN 0.741 nan 8.270 nan 0.000 0.458 108 A N 4.932 127.849 122.820 0.163 0.000 2.801 108 A HA 0.280 4.600 4.320 -0.000 0.000 0.344 108 A C -1.279 176.540 177.584 0.392 0.000 1.322 108 A CA -0.451 51.674 52.037 0.146 0.000 0.913 108 A CB 0.181 19.038 19.000 -0.239 0.000 1.140 108 A HN 0.569 nan 8.150 nan 0.000 0.487 109 Y N 2.452 122.823 120.300 0.118 0.000 2.331 109 Y HA 0.352 4.902 4.550 -0.000 0.000 0.338 109 Y C 0.930 176.934 175.900 0.174 0.000 0.992 109 Y CA -1.244 56.939 58.100 0.139 0.000 1.121 109 Y CB 1.590 40.112 38.460 0.104 0.000 1.184 109 Y HN 0.472 nan 8.280 nan 0.000 0.469 110 L N 0.924 122.264 121.223 0.194 0.000 2.354 110 L HA 0.244 4.584 4.340 -0.000 0.000 0.212 110 L C 0.797 177.649 176.870 -0.030 0.000 1.091 110 L CA 0.715 55.628 54.840 0.122 0.000 0.828 110 L CB -0.683 41.382 42.059 0.010 0.000 0.973 110 L HN 0.565 nan 8.230 nan 0.000 0.461 111 E N 0.288 120.467 120.200 -0.035 0.000 2.639 111 E HA 0.524 4.874 4.350 -0.000 0.000 0.219 111 E C -0.451 176.171 176.600 0.036 0.000 0.800 111 E CA -0.791 55.537 56.400 -0.121 0.000 1.002 111 E CB 1.774 31.387 29.700 -0.146 0.000 1.621 111 E HN -0.229 nan 8.360 nan 0.000 0.396 112 K N 1.256 121.655 120.400 -0.002 0.000 2.669 112 K HA 0.140 4.460 4.320 -0.000 0.000 0.274 112 K C -3.054 173.543 176.600 -0.005 0.000 1.057 112 K CA -1.031 55.288 56.287 0.053 0.000 1.001 112 K CB 0.794 33.358 32.500 0.108 0.000 1.384 112 K HN 0.203 nan 8.250 nan 0.000 0.418 113 P HA -0.034 nan 4.420 nan 0.000 0.252 113 P C -0.255 177.031 177.300 -0.024 0.000 1.147 113 P CA 0.747 63.828 63.100 -0.030 0.000 0.779 113 P CB 0.166 31.840 31.700 -0.044 0.000 0.733 118 G N -1.046 107.778 108.800 0.039 0.000 3.166 118 G HA2 0.527 4.487 3.960 -0.000 0.000 0.267 118 G HA3 0.527 4.487 3.960 -0.000 0.000 0.267 118 G C -1.308 173.650 174.900 0.097 0.000 1.256 118 G CA -0.512 44.631 45.100 0.071 0.000 0.859 118 G HN 1.721 nan 8.290 nan 0.000 0.590 119 W N 2.234 123.495 121.300 -0.066 0.000 2.589 119 W HA 0.085 4.744 4.660 -0.000 0.000 0.350 119 W C 1.170 177.632 176.519 -0.095 0.000 1.201 119 W CA -0.251 57.042 57.345 -0.087 0.000 1.225 119 W CB 0.498 29.905 29.460 -0.090 0.000 1.226 119 W HN 0.269 nan 8.180 nan 0.000 0.578 120 K N 5.471 125.551 120.400 -0.534 0.000 2.585 120 K HA 0.097 4.417 4.320 -0.000 0.000 0.194 120 K C 1.039 177.061 176.600 -0.963 0.000 1.037 120 K CA 1.025 56.938 56.287 -0.623 0.000 0.964 120 K CB -0.972 31.175 32.500 -0.589 0.000 0.787 120 K HN 0.798 nan 8.250 nan 0.000 0.488 121 G N 1.014 108.609 108.800 -2.008 0.000 2.705 121 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.686 121 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.686 121 G C 0.349 174.536 174.900 -1.188 0.000 1.285 121 G CA -0.310 43.520 45.100 -2.116 0.000 0.800 121 G HN 0.118 nan 8.290 nan 0.000 0.611 122 L N 1.424 122.321 121.223 -0.545 0.000 2.030 122 L HA -0.204 4.135 4.340 -0.000 0.000 0.222 122 L C 2.918 179.725 176.870 -0.106 0.000 1.082 122 L CA 3.082 57.943 54.840 0.034 0.000 0.785 122 L CB -0.631 41.529 42.059 0.169 0.000 0.895 122 L HN 0.716 nan 8.230 nan 0.000 0.439 123 I N -1.023 119.437 120.570 -0.183 0.000 2.113 123 I HA -0.332 3.837 4.170 -0.000 0.000 0.238 123 I C 2.252 178.256 176.117 -0.188 0.000 1.070 123 I CA 1.868 63.062 61.300 -0.177 0.000 1.332 123 I CB -0.540 37.346 38.000 -0.190 0.000 1.044 123 I HN 0.391 nan 8.210 nan 0.000 0.402 124 N N -0.140 118.400 118.700 -0.265 0.000 2.309 124 N HA -0.157 4.582 4.740 -0.000 0.000 0.182 124 N C 0.330 175.599 175.510 -0.401 0.000 1.018 124 N CA 1.032 53.906 53.050 -0.293 0.000 0.876 124 N CB 0.154 38.425 38.487 -0.360 0.000 0.972 124 N HN 0.271 nan 8.380 nan 0.000 0.434 125 D N -0.726 119.450 120.400 -0.373 0.000 2.968 125 D HA 0.124 4.764 4.640 -0.000 0.000 0.301 125 D C -2.056 174.275 176.300 0.051 0.000 1.226 125 D CA -1.563 52.297 54.000 -0.234 0.000 0.746 125 D CB 0.645 41.238 40.800 -0.346 0.000 1.278 125 D HN 0.008 nan 8.370 nan 0.000 0.544 126 P HA -0.089 nan 4.420 nan 0.000 0.227 126 P C 0.257 177.640 177.300 0.138 0.000 1.145 126 P CA 0.893 64.067 63.100 0.124 0.000 0.769 126 P CB 0.562 32.290 31.700 0.047 0.000 0.769 127 D N -1.180 119.294 120.400 0.123 0.000 2.417 127 D HA 0.066 4.706 4.640 -0.000 0.000 0.207 127 D C 0.631 176.994 176.300 0.104 0.000 1.075 127 D CA 0.039 54.093 54.000 0.091 0.000 0.851 127 D CB 0.656 41.491 40.800 0.059 0.000 0.976 127 D HN -0.138 nan 8.370 nan 0.000 0.505 128 V N 2.359 122.385 119.914 0.188 0.000 5.658 128 V HA -0.301 3.818 4.120 -0.000 0.000 0.312 128 V C 0.435 176.583 176.094 0.091 0.000 0.480 128 V CA 1.181 63.578 62.300 0.161 0.000 0.684 128 V CB -2.471 29.346 31.823 -0.011 0.000 0.426 128 V HN 0.391 nan 8.190 nan 0.000 1.241 129 N N -0.815 117.938 118.700 0.088 0.000 2.197 129 N HA 0.164 4.904 4.740 -0.000 0.000 0.228 129 N C 0.512 176.059 175.510 0.062 0.000 1.212 129 N CA 0.209 53.296 53.050 0.061 0.000 0.883 129 N CB 0.237 38.755 38.487 0.051 0.000 1.107 129 N HN 0.545 nan 8.380 nan 0.000 0.519 130 N N 0.028 118.764 118.700 0.061 0.000 2.780 130 N HA -0.172 4.568 4.740 -0.000 0.000 0.248 130 N C -0.900 174.653 175.510 0.071 0.000 1.102 130 N CA 1.304 54.379 53.050 0.040 0.000 0.697 130 N CB -1.221 37.306 38.487 0.067 0.000 1.028 130 N HN 0.735 nan 8.380 nan 0.000 0.554 131 T N -3.226 111.357 114.554 0.049 0.000 2.762 131 T HA 0.812 5.161 4.350 -0.000 0.000 0.272 131 T C -0.055 174.721 174.700 0.127 0.000 0.982 131 T CA -0.667 61.558 62.100 0.208 0.000 1.013 131 T CB 1.626 70.582 68.868 0.146 0.000 1.309 131 T HN 0.088 nan 8.240 nan 0.000 0.572 132 F N 0.202 120.145 119.950 -0.012 0.000 2.579 132 F HA 0.692 5.218 4.527 -0.000 0.000 0.324 132 F C 0.614 176.399 175.800 -0.024 0.000 1.058 132 F CA -1.036 56.946 58.000 -0.030 0.000 0.944 132 F CB 2.085 41.058 39.000 -0.045 0.000 1.245 132 F HN 0.625 nan 8.300 nan 0.000 0.477 133 N N 1.734 120.504 118.700 0.117 0.000 2.776 133 N HA 0.096 4.836 4.740 -0.000 0.000 0.215 133 N C 0.386 175.903 175.510 0.012 0.000 1.347 133 N CA 0.105 53.190 53.050 0.058 0.000 1.323 133 N CB -0.105 38.404 38.487 0.037 0.000 1.547 133 N HN 0.475 nan 8.380 nan 0.000 0.582 134 I N 0.733 121.311 120.570 0.014 0.000 2.191 134 I HA -0.360 3.810 4.170 -0.000 0.000 0.248 134 I C 2.138 178.208 176.117 -0.078 0.000 1.061 134 I CA 1.323 62.595 61.300 -0.046 0.000 1.329 134 I CB -0.288 37.686 38.000 -0.043 0.000 1.024 134 I HN 0.416 nan 8.210 nan 0.000 0.423 135 N N 0.216 118.890 118.700 -0.044 0.000 2.084 135 N HA -0.225 4.515 4.740 -0.000 0.000 0.190 135 N C 1.951 177.437 175.510 -0.040 0.000 1.030 135 N CA 1.392 54.417 53.050 -0.043 0.000 0.849 135 N CB -0.300 38.183 38.487 -0.006 0.000 1.012 135 N HN 0.478 nan 8.380 nan 0.000 0.423 136 K N 0.598 120.984 120.400 -0.022 0.000 2.217 136 K HA -0.032 4.287 4.320 -0.000 0.000 0.202 136 K C 1.946 178.528 176.600 -0.031 0.000 1.051 136 K CA 1.030 57.309 56.287 -0.015 0.000 0.952 136 K CB -0.183 32.318 32.500 0.002 0.000 0.736 136 K HN 0.105 nan 8.250 nan 0.000 0.453 137 G N 1.520 110.289 108.800 -0.052 0.000 2.421 137 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.216 137 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.216 137 G C 1.442 176.275 174.900 -0.112 0.000 1.171 137 G CA 0.597 45.652 45.100 -0.075 0.000 0.775 137 G HN 0.209 nan 8.290 nan 0.000 0.543 138 L N 0.005 121.136 121.223 -0.155 0.000 2.131 138 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 138 L C 3.129 179.929 176.870 -0.117 0.000 1.092 138 L CA 0.960 55.678 54.840 -0.205 0.000 0.759 138 L CB -0.371 41.490 42.059 -0.331 0.000 0.903 138 L HN 0.324 nan 8.230 nan 0.000 0.435 139 Q N -0.717 119.044 119.800 -0.066 0.000 2.083 139 Q HA -0.133 4.207 4.340 -0.000 0.000 0.198 139 Q C 2.450 178.431 176.000 -0.031 0.000 0.969 139 Q CA 1.653 57.439 55.803 -0.027 0.000 0.838 139 Q CB -0.040 28.694 28.738 -0.006 0.000 0.900 139 Q HN 0.433 nan 8.270 nan 0.000 0.436 140 S N 1.124 116.804 115.700 -0.033 0.000 2.356 140 S HA -0.173 4.297 4.470 -0.000 0.000 0.223 140 S C 2.089 176.664 174.600 -0.042 0.000 1.032 140 S CA 0.992 59.183 58.200 -0.014 0.000 1.005 140 S CB -0.407 62.797 63.200 0.007 0.000 0.867 140 S HN 0.492 nan 8.310 nan 0.000 0.449 141 A N 2.260 125.014 122.820 -0.111 0.000 1.842 141 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 141 A C 2.116 179.494 177.584 -0.343 0.000 1.206 141 A CA 1.968 53.852 52.037 -0.255 0.000 0.630 141 A CB -0.835 17.960 19.000 -0.342 0.000 0.839 141 A HN 0.419 nan 8.150 nan 0.000 0.447 142 R N -1.132 119.213 120.500 -0.259 0.000 2.103 142 R HA -0.246 4.093 4.340 -0.000 0.000 0.242 142 R C 2.487 178.779 176.300 -0.012 0.000 1.142 142 R CA 2.099 58.108 56.100 -0.152 0.000 0.960 142 R CB -0.288 29.987 30.300 -0.042 0.000 0.858 142 R HN 0.629 nan 8.270 nan 0.000 0.439 143 Q N 0.814 120.616 119.800 0.003 0.000 2.030 143 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 143 Q C 1.985 178.038 176.000 0.088 0.000 0.986 143 Q CA 1.863 57.692 55.803 0.044 0.000 0.843 143 Q CB -0.558 28.199 28.738 0.031 0.000 0.904 143 Q HN 0.354 nan 8.270 nan 0.000 0.420 144 L N -0.355 120.928 121.223 0.100 0.000 1.956 144 L HA -0.187 4.153 4.340 -0.000 0.000 0.216 144 L C 2.022 179.073 176.870 0.302 0.000 1.073 144 L CA 2.047 56.995 54.840 0.181 0.000 0.762 144 L CB -1.068 41.121 42.059 0.215 0.000 0.889 144 L HN 0.285 nan 8.230 nan 0.000 0.433 145 F N -0.589 119.383 119.950 0.037 0.000 2.147 145 F HA -0.237 4.289 4.527 -0.000 0.000 0.301 145 F C 2.496 178.317 175.800 0.035 0.000 1.084 145 F CA 1.492 59.514 58.000 0.036 0.000 1.268 145 F CB -1.487 37.535 39.000 0.036 0.000 1.009 145 F HN -0.004 nan 8.300 nan 0.000 0.486 146 V N 0.232 120.286 119.914 0.232 0.000 2.307 146 V HA -0.271 3.848 4.120 -0.000 0.000 0.245 146 V C 2.241 178.396 176.094 0.100 0.000 1.045 146 V CA 1.826 64.208 62.300 0.138 0.000 1.024 146 V CB -0.665 31.219 31.823 0.101 0.000 0.651 146 V HN 0.314 nan 8.190 nan 0.000 0.449 147 N N 0.501 119.260 118.700 0.098 0.000 2.061 147 N HA -0.160 4.580 4.740 -0.000 0.000 0.193 147 N C 1.841 177.387 175.510 0.060 0.000 1.030 147 N CA 1.630 54.722 53.050 0.070 0.000 0.856 147 N CB -0.401 38.126 38.487 0.067 0.000 1.023 147 N HN 0.399 nan 8.380 nan 0.000 0.424 148 L N 0.751 122.016 121.223 0.070 0.000 1.988 148 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 148 L C 2.641 179.528 176.870 0.028 0.000 1.071 148 L CA 1.730 56.595 54.840 0.042 0.000 0.744 148 L CB -1.348 40.726 42.059 0.024 0.000 0.893 148 L HN 0.288 nan 8.230 nan 0.000 0.433 149 T N -3.184 111.387 114.554 0.029 0.000 2.977 149 T HA -0.186 4.164 4.350 -0.000 0.000 0.271 149 T C 1.520 176.238 174.700 0.031 0.000 1.105 149 T CA 1.552 63.666 62.100 0.023 0.000 1.116 149 T CB -0.596 68.291 68.868 0.033 0.000 0.878 149 T HN 0.237 nan 8.240 nan 0.000 0.509 150 N N 1.854 120.577 118.700 0.038 0.000 2.331 150 N HA 0.025 4.765 4.740 -0.000 0.000 0.180 150 N C 1.481 177.005 175.510 0.023 0.000 1.019 150 N CA 0.896 53.965 53.050 0.033 0.000 0.881 150 N CB -0.489 38.021 38.487 0.037 0.000 0.972 150 N HN 0.815 nan 8.380 nan 0.000 0.435 151 I N -4.023 116.559 120.570 0.020 0.000 3.855 151 I HA 0.464 4.634 4.170 -0.000 0.000 0.327 151 I C 0.875 176.998 176.117 0.010 0.000 1.359 151 I CA 0.144 61.452 61.300 0.012 0.000 1.142 151 I CB -0.268 37.737 38.000 0.007 0.000 1.041 151 I HN 0.064 nan 8.210 nan 0.000 0.403 152 G N 2.014 110.822 108.800 0.013 0.000 2.143 152 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.249 152 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.249 152 G C -0.300 174.605 174.900 0.009 0.000 0.981 152 G CA 0.282 45.389 45.100 0.011 0.000 0.665 152 G HN 0.449 nan 8.290 nan 0.000 0.528 153 L N 1.629 122.857 121.223 0.009 0.000 2.276 153 L HA 0.706 5.045 4.340 -0.000 0.000 0.286 153 L C -2.019 174.849 176.870 -0.004 0.000 1.024 153 L CA -2.569 52.276 54.840 0.008 0.000 0.826 153 L CB 1.118 43.188 42.059 0.018 0.000 1.211 153 L HN -0.124 nan 8.230 nan 0.000 0.422 154 P HA 0.270 nan 4.420 nan 0.000 0.270 154 P C -0.950 176.322 177.300 -0.047 0.000 1.223 154 P CA 0.038 63.124 63.100 -0.022 0.000 0.785 154 P CB 0.580 32.275 31.700 -0.009 0.000 0.923 155 I N -2.135 118.376 120.570 -0.099 0.000 2.934 155 I HA 0.905 5.074 4.170 -0.000 0.000 0.306 155 I C -0.349 175.684 176.117 -0.139 0.000 1.110 155 I CA -1.055 60.151 61.300 -0.158 0.000 1.019 155 I CB 2.571 40.356 38.000 -0.358 0.000 1.227 155 I HN 0.322 nan 8.210 nan 0.000 0.434 156 G N 1.459 110.235 108.800 -0.041 0.000 2.524 156 G HA2 0.664 4.623 3.960 -0.000 0.000 0.310 156 G HA3 0.664 4.623 3.960 -0.000 0.000 0.310 156 G C -1.650 173.292 174.900 0.070 0.000 1.279 156 G CA -0.588 44.580 45.100 0.113 0.000 0.974 156 G HN 0.732 nan 8.290 nan 0.000 0.484 157 S N -0.649 115.001 115.700 -0.083 0.000 2.607 157 S HA 0.515 4.985 4.470 -0.000 0.000 0.273 157 S C -1.221 173.146 174.600 -0.389 0.000 1.148 157 S CA -0.657 57.430 58.200 -0.187 0.000 0.833 157 S CB 2.000 65.166 63.200 -0.057 0.000 1.130 157 S HN 0.634 nan 8.310 nan 0.000 0.470 158 E N 2.001 121.760 120.200 -0.735 0.000 2.227 158 E HA 0.244 4.594 4.350 -0.000 0.000 0.282 158 E C -0.558 175.897 176.600 -0.241 0.000 1.015 158 E CA -0.556 55.549 56.400 -0.492 0.000 0.823 158 E CB 0.515 29.855 29.700 -0.600 0.000 1.081 158 E HN 0.475 nan 8.360 nan 0.000 0.396 159 M N 6.637 126.161 119.600 -0.127 0.000 2.775 159 M HA 0.032 4.512 4.480 -0.000 0.000 0.313 159 M C 0.588 176.913 176.300 0.042 0.000 1.429 159 M CA -0.079 55.207 55.300 -0.023 0.000 1.494 159 M CB -0.221 32.384 32.600 0.008 0.000 1.274 159 M HN 0.594 nan 8.290 nan 0.000 0.491 160 L N 1.407 122.633 121.223 0.005 0.000 1.948 160 L HA -0.133 4.206 4.340 -0.000 0.000 0.212 160 L C 0.960 177.903 176.870 0.121 0.000 1.074 160 L CA 1.886 56.754 54.840 0.047 0.000 0.753 160 L CB -1.595 40.452 42.059 -0.020 0.000 0.888 160 L HN 0.513 nan 8.230 nan 0.000 0.432 161 D N -2.624 117.782 120.400 0.011 0.000 2.666 161 D HA 0.221 4.861 4.640 -0.000 0.000 0.252 161 D C 0.716 176.943 176.300 -0.121 0.000 1.143 161 D CA 0.099 54.063 54.000 -0.059 0.000 1.096 161 D CB 0.262 41.049 40.800 -0.022 0.000 1.260 161 D HN 0.065 nan 8.370 nan 0.000 0.633 162 T N -2.914 111.574 114.554 -0.111 0.000 3.186 162 T HA 0.340 4.690 4.350 -0.000 0.000 0.257 162 T C 0.975 175.701 174.700 0.043 0.000 1.029 162 T CA -0.148 61.909 62.100 -0.072 0.000 0.916 162 T CB -0.660 68.155 68.868 -0.088 0.000 1.041 162 T HN 0.430 nan 8.240 nan 0.000 0.562 163 I N -0.222 120.384 120.570 0.061 0.000 3.739 163 I HA 0.083 4.252 4.170 -0.000 0.000 0.272 163 I C 2.370 178.616 176.117 0.216 0.000 1.167 163 I CA -0.052 61.331 61.300 0.138 0.000 1.386 163 I CB -0.150 37.937 38.000 0.144 0.000 1.490 163 I HN 0.116 nan 8.210 nan 0.000 0.452 164 S N 1.970 117.750 115.700 0.132 0.000 2.380 164 S HA -0.147 4.323 4.470 -0.000 0.000 0.229 164 S C -0.689 174.019 174.600 0.180 0.000 1.043 164 S CA 1.892 60.161 58.200 0.116 0.000 1.038 164 S CB -1.397 61.799 63.200 -0.007 0.000 0.872 164 S HN 0.267 nan 8.310 nan 0.000 0.456 165 P HA -0.111 nan 4.420 nan 0.000 0.216 165 P C 1.575 178.965 177.300 0.150 0.000 1.150 165 P CA 0.979 64.169 63.100 0.150 0.000 0.843 165 P CB -0.058 31.711 31.700 0.116 0.000 0.787 166 Q N -1.815 118.058 119.800 0.121 0.000 2.170 166 Q HA -0.163 4.177 4.340 -0.000 0.000 0.203 166 Q C 1.706 177.676 176.000 -0.050 0.000 0.976 166 Q CA 1.512 57.320 55.803 0.007 0.000 0.858 166 Q CB -0.626 28.064 28.738 -0.079 0.000 0.907 166 Q HN 0.469 nan 8.270 nan 0.000 0.433 167 Y N -0.856 119.450 120.300 0.010 0.000 2.544 167 Y HA 0.008 4.557 4.550 -0.000 0.000 0.286 167 Y C 1.652 177.540 175.900 -0.019 0.000 1.141 167 Y CA 0.569 58.661 58.100 -0.012 0.000 1.299 167 Y CB 0.447 38.879 38.460 -0.046 0.000 1.030 167 Y HN 0.001 nan 8.280 nan 0.000 0.543 168 L N -2.918 118.400 121.223 0.159 0.000 3.284 168 L HA 0.358 4.698 4.340 -0.000 0.000 0.294 168 L C 2.155 179.173 176.870 0.247 0.000 1.183 168 L CA 0.486 55.419 54.840 0.154 0.000 1.056 168 L CB -0.414 41.664 42.059 0.033 0.000 1.513 168 L HN -0.085 nan 8.230 nan 0.000 0.601 169 A N 1.682 124.645 122.820 0.239 0.000 1.940 169 A HA -0.314 4.006 4.320 -0.000 0.000 0.221 169 A C 1.941 179.702 177.584 0.294 0.000 1.190 169 A CA 2.496 54.731 52.037 0.329 0.000 0.647 169 A CB -0.764 18.379 19.000 0.239 0.000 0.821 169 A HN 0.652 nan 8.150 nan 0.000 0.457 170 D N -0.215 120.298 120.400 0.190 0.000 2.311 170 D HA -0.136 4.504 4.640 -0.000 0.000 0.212 170 D C 1.481 177.873 176.300 0.153 0.000 0.972 170 D CA 1.256 55.347 54.000 0.152 0.000 0.887 170 D CB -0.350 40.510 40.800 0.100 0.000 0.915 170 D HN 0.553 nan 8.370 nan 0.000 0.497 171 L N 0.180 121.511 121.223 0.179 0.000 2.664 171 L HA 0.175 4.514 4.340 -0.000 0.000 0.233 171 L C 0.485 177.392 176.870 0.062 0.000 1.113 171 L CA -0.188 54.740 54.840 0.147 0.000 0.896 171 L CB 1.038 43.231 42.059 0.223 0.000 1.163 171 L HN -0.196 nan 8.230 nan 0.000 0.497 172 V N -0.112 119.825 119.914 0.037 0.000 2.546 172 V HA 0.122 4.242 4.120 -0.000 0.000 0.284 172 V C 0.993 176.922 176.094 -0.275 0.000 1.050 172 V CA 0.286 62.450 62.300 -0.227 0.000 0.981 172 V CB 1.654 33.217 31.823 -0.433 0.000 0.990 172 V HN 0.182 nan 8.190 nan 0.000 0.474 173 S N 3.500 119.052 115.700 -0.246 0.000 2.497 173 S HA 0.279 4.749 4.470 -0.000 0.000 0.218 173 S C -0.120 174.453 174.600 -0.044 0.000 1.023 173 S CA 0.137 58.297 58.200 -0.067 0.000 0.913 173 S CB 0.279 63.487 63.200 0.013 0.000 0.800 173 S HN 0.613 nan 8.310 nan 0.000 0.505 174 F N 1.154 120.873 119.950 -0.384 0.000 2.581 174 F HA 0.695 5.222 4.527 -0.000 0.000 0.311 174 F C -0.525 175.052 175.800 -0.372 0.000 1.113 174 F CA -0.680 57.178 58.000 -0.236 0.000 0.935 174 F CB 1.316 40.291 39.000 -0.042 0.000 1.232 174 F HN -0.010 nan 8.300 nan 0.000 0.445 175 G N 2.926 110.949 108.800 -1.295 0.000 2.617 175 G HA2 0.736 4.696 3.960 -0.000 0.000 0.306 175 G HA3 0.736 4.696 3.960 -0.000 0.000 0.306 175 G C -2.104 172.114 174.900 -1.137 0.000 1.360 175 G CA -0.682 43.856 45.100 -0.937 0.000 0.983 175 G HN 1.029 nan 8.290 nan 0.000 0.496 176 A N 2.473 124.875 122.820 -0.697 0.000 2.343 176 A HA 0.695 5.014 4.320 -0.000 0.000 0.308 176 A C -0.458 176.988 177.584 -0.229 0.000 1.092 176 A CA -0.600 51.198 52.037 -0.398 0.000 0.751 176 A CB 0.966 19.961 19.000 -0.010 0.000 1.203 176 A HN 0.565 nan 8.150 nan 0.000 0.452 177 I N 2.942 123.356 120.570 -0.261 0.000 2.371 177 I HA 0.259 4.428 4.170 -0.000 0.000 0.290 177 I C 1.343 177.453 176.117 -0.013 0.000 1.028 177 I CA 0.134 61.368 61.300 -0.111 0.000 1.345 177 I CB 0.437 38.412 38.000 -0.042 0.000 1.407 177 I HN 0.790 nan 8.210 nan 0.000 0.501 178 G N 4.263 113.052 108.800 -0.017 0.000 2.750 178 G HA2 0.232 4.191 3.960 -0.000 0.000 0.250 178 G HA3 0.232 4.191 3.960 -0.000 0.000 0.250 178 G C 0.959 175.872 174.900 0.022 0.000 1.230 178 G CA 0.234 45.343 45.100 0.015 0.000 0.883 178 G HN 0.790 nan 8.290 nan 0.000 0.573 179 A N -0.051 122.790 122.820 0.035 0.000 1.968 179 A HA 0.008 4.328 4.320 -0.000 0.000 0.217 179 A C 2.336 179.918 177.584 -0.003 0.000 1.169 179 A CA 1.122 53.181 52.037 0.037 0.000 0.638 179 A CB -0.143 18.888 19.000 0.051 0.000 0.812 179 A HN 0.609 nan 8.150 nan 0.000 0.446 180 R N -0.462 120.017 120.500 -0.034 0.000 2.313 180 R HA 0.014 4.354 4.340 -0.000 0.000 0.199 180 R C 1.013 177.248 176.300 -0.108 0.000 0.958 180 R CA 1.240 57.306 56.100 -0.058 0.000 1.047 180 R CB -0.005 30.262 30.300 -0.056 0.000 0.955 180 R HN 0.676 nan 8.270 nan 0.000 0.481 181 T N -5.528 108.936 114.554 -0.150 0.000 3.004 181 T HA 0.086 4.436 4.350 -0.000 0.000 0.266 181 T C 1.522 176.131 174.700 -0.151 0.000 0.986 181 T CA -0.161 61.768 62.100 -0.286 0.000 0.902 181 T CB 0.539 68.981 68.868 -0.709 0.000 1.118 181 T HN -0.150 nan 8.240 nan 0.000 0.522 182 T N 2.756 117.291 114.554 -0.032 0.000 2.778 182 T HA -0.101 4.248 4.350 -0.000 0.000 0.269 182 T C 1.649 176.295 174.700 -0.090 0.000 1.050 182 T CA 1.598 63.710 62.100 0.021 0.000 1.137 182 T CB -0.231 68.664 68.868 0.045 0.000 0.860 182 T HN 0.554 nan 8.240 nan 0.000 0.468 183 E N 0.695 120.851 120.200 -0.075 0.000 2.299 183 E HA 0.074 4.424 4.350 -0.000 0.000 0.193 183 E C 0.958 177.520 176.600 -0.064 0.000 0.998 183 E CA -0.154 56.199 56.400 -0.078 0.000 0.851 183 E CB 0.141 29.808 29.700 -0.056 0.000 0.795 183 E HN 0.193 nan 8.360 nan 0.000 0.492 184 S N 1.166 116.839 115.700 -0.044 0.000 2.509 184 S HA -0.083 4.387 4.470 -0.000 0.000 0.287 184 S C 0.968 175.575 174.600 0.012 0.000 1.248 184 S CA -0.215 57.991 58.200 0.009 0.000 1.089 184 S CB 0.884 64.127 63.200 0.072 0.000 0.900 184 S HN 0.140 nan 8.310 nan 0.000 0.496 185 Q N 4.741 124.523 119.800 -0.030 0.000 2.077 185 Q HA -0.139 4.200 4.340 -0.000 0.000 0.206 185 Q C 1.739 177.663 176.000 -0.127 0.000 0.989 185 Q CA 2.118 57.868 55.803 -0.087 0.000 0.853 185 Q CB -0.511 28.181 28.738 -0.077 0.000 0.907 185 Q HN 0.804 nan 8.270 nan 0.000 0.418 186 L N -0.078 121.093 121.223 -0.087 0.000 2.043 186 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 186 L C 1.650 178.344 176.870 -0.293 0.000 1.075 186 L CA 2.208 56.931 54.840 -0.195 0.000 0.752 186 L CB -0.672 41.308 42.059 -0.132 0.000 0.891 186 L HN 0.407 nan 8.230 nan 0.000 0.432 187 H N -1.522 117.464 119.070 -0.140 0.000 2.535 187 H HA 0.110 4.666 4.556 -0.000 0.000 0.273 187 H C 2.223 177.537 175.328 -0.024 0.000 0.983 187 H CA 0.805 56.804 56.048 -0.082 0.000 1.238 187 H CB 0.074 29.838 29.762 0.003 0.000 1.412 187 H HN 0.305 nan 8.280 nan 0.000 0.562 188 R N 0.438 120.950 120.500 0.020 0.000 2.062 188 R HA -0.050 4.290 4.340 -0.000 0.000 0.226 188 R C 1.794 178.015 176.300 -0.130 0.000 1.125 188 R CA 1.238 57.340 56.100 0.003 0.000 0.966 188 R CB 0.042 30.258 30.300 -0.139 0.000 0.861 188 R HN 0.470 nan 8.270 nan 0.000 0.433 189 E N 0.941 120.912 120.200 -0.381 0.000 2.077 189 E HA -0.208 4.141 4.350 -0.000 0.000 0.193 189 E C 1.977 178.352 176.600 -0.375 0.000 0.989 189 E CA 0.949 57.061 56.400 -0.479 0.000 0.800 189 E CB -0.161 29.176 29.700 -0.605 0.000 0.746 189 E HN 0.111 nan 8.360 nan 0.000 0.452 190 L N 1.137 122.065 121.223 -0.491 0.000 2.042 190 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 190 L C 2.250 179.038 176.870 -0.137 0.000 1.076 190 L CA 2.045 56.655 54.840 -0.384 0.000 0.749 190 L CB -0.430 41.412 42.059 -0.361 0.000 0.893 190 L HN 0.057 nan 8.230 nan 0.000 0.432 191 A N -0.925 121.860 122.820 -0.058 0.000 1.969 191 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 191 A C 2.358 179.952 177.584 0.016 0.000 1.169 191 A CA 1.473 53.498 52.037 -0.021 0.000 0.635 191 A CB -1.073 17.976 19.000 0.083 0.000 0.810 191 A HN 0.659 nan 8.150 nan 0.000 0.445 192 S N -1.175 114.581 115.700 0.093 0.000 2.595 192 S HA 0.199 4.669 4.470 -0.000 0.000 0.235 192 S C 1.225 175.885 174.600 0.100 0.000 0.974 192 S CA 1.025 59.319 58.200 0.156 0.000 0.942 192 S CB -0.300 63.122 63.200 0.371 0.000 0.766 192 S HN 0.781 nan 8.310 nan 0.000 0.536 193 G N 0.127 108.956 108.800 0.048 0.000 3.651 193 G HA2 0.396 4.355 3.960 -0.000 0.000 0.267 193 G HA3 0.396 4.355 3.960 -0.000 0.000 0.267 193 G C 0.031 174.876 174.900 -0.093 0.000 1.009 193 G CA -0.480 44.636 45.100 0.027 0.000 0.866 193 G HN 0.405 nan 8.290 nan 0.000 0.488 194 L N 1.205 122.301 121.223 -0.212 0.000 2.436 194 L HA 0.242 4.581 4.340 -0.000 0.000 0.265 194 L C 1.067 177.604 176.870 -0.555 0.000 1.168 194 L CA -0.335 54.204 54.840 -0.501 0.000 0.815 194 L CB 1.554 43.154 42.059 -0.765 0.000 1.109 194 L HN -0.016 nan 8.230 nan 0.000 0.462 195 S N 1.850 117.148 115.700 -0.671 0.000 2.743 195 S HA 0.219 4.689 4.470 -0.000 0.000 0.230 195 S C -0.397 174.109 174.600 -0.157 0.000 0.950 195 S CA -0.127 57.887 58.200 -0.309 0.000 0.976 195 S CB -0.647 62.497 63.200 -0.093 0.000 0.779 195 S HN 0.455 nan 8.310 nan 0.000 0.487 196 F N -1.710 118.283 119.950 0.072 0.000 2.789 196 F HA 0.702 5.229 4.527 -0.000 0.000 0.319 196 F C -3.503 172.383 175.800 0.144 0.000 1.168 196 F CA -3.432 54.638 58.000 0.116 0.000 0.934 196 F CB -0.199 38.854 39.000 0.088 0.000 1.375 196 F HN -0.359 nan 8.300 nan 0.000 0.480 197 P HA 0.372 nan 4.420 nan 0.000 0.276 197 P C -1.089 176.430 177.300 0.364 0.000 1.230 197 P CA -0.246 63.157 63.100 0.505 0.000 0.776 197 P CB 1.374 33.430 31.700 0.593 0.000 0.888 198 V N 3.293 123.275 119.914 0.114 0.000 2.448 198 V HA 0.629 4.749 4.120 -0.000 0.000 0.295 198 V C 0.636 176.334 176.094 -0.660 0.000 1.025 198 V CA -0.456 61.668 62.300 -0.294 0.000 0.859 198 V CB 1.796 33.396 31.823 -0.371 0.000 0.988 198 V HN 0.702 nan 8.190 nan 0.000 0.431 199 G N 3.509 111.818 108.800 -0.818 0.000 2.335 199 G HA2 0.625 4.585 3.960 -0.000 0.000 0.316 199 G HA3 0.625 4.585 3.960 -0.000 0.000 0.316 199 G C -1.116 173.422 174.900 -0.603 0.000 1.129 199 G CA -0.260 44.226 45.100 -1.023 0.000 0.899 199 G HN 0.390 nan 8.290 nan 0.000 0.448 200 F N 1.675 121.479 119.950 -0.243 0.000 2.410 200 F HA 0.379 4.906 4.527 -0.001 0.000 0.349 200 F C 1.019 176.804 175.800 -0.025 0.000 1.117 200 F CA -0.549 57.396 58.000 -0.092 0.000 1.104 200 F CB 1.826 40.790 39.000 -0.060 0.000 1.122 200 F HN 0.175 nan 8.300 nan 0.000 0.483 201 K N 3.534 124.050 120.400 0.192 0.000 2.185 201 K HA 0.173 4.493 4.320 -0.000 0.000 0.271 201 K C 0.211 176.893 176.600 0.137 0.000 1.013 201 K CA -0.754 55.627 56.287 0.157 0.000 0.943 201 K CB 0.662 33.250 32.500 0.147 0.000 0.998 201 K HN 0.675 nan 8.250 nan 0.000 0.468 202 N N 0.321 119.092 118.700 0.120 0.000 2.444 202 N HA -0.002 4.738 4.740 -0.000 0.000 0.255 202 N C 0.267 175.818 175.510 0.068 0.000 1.255 202 N CA -0.400 52.702 53.050 0.087 0.000 0.933 202 N CB 0.355 38.893 38.487 0.084 0.000 1.143 202 N HN 0.561 nan 8.380 nan 0.000 0.453 203 G N -0.321 108.504 108.800 0.043 0.000 2.568 203 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.231 203 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.231 203 G C 1.253 176.175 174.900 0.037 0.000 1.261 203 G CA 0.204 45.321 45.100 0.029 0.000 0.855 203 G HN 0.757 nan 8.290 nan 0.000 0.576 204 T N -1.490 113.081 114.554 0.029 0.000 3.098 204 T HA -0.087 4.262 4.350 -0.000 0.000 0.266 204 T C 1.054 175.772 174.700 0.030 0.000 1.145 204 T CA 1.259 63.379 62.100 0.032 0.000 1.092 204 T CB -0.009 68.870 68.868 0.020 0.000 0.908 204 T HN 0.633 nan 8.240 nan 0.000 0.526 205 D N 0.432 120.847 120.400 0.024 0.000 2.587 205 D HA 0.264 4.903 4.640 -0.000 0.000 0.233 205 D C 1.490 177.804 176.300 0.024 0.000 1.213 205 D CA 0.087 54.099 54.000 0.021 0.000 0.827 205 D CB -0.402 40.406 40.800 0.013 0.000 1.006 205 D HN 0.429 nan 8.370 nan 0.000 0.490 206 G N 1.318 110.138 108.800 0.034 0.000 2.270 206 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.268 206 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.268 206 G C 0.663 175.583 174.900 0.032 0.000 0.982 206 G CA 1.010 46.132 45.100 0.036 0.000 0.628 206 G HN 0.677 nan 8.290 nan 0.000 0.544 207 T N -1.381 113.189 114.554 0.026 0.000 2.913 207 T HA 0.565 4.915 4.350 -0.000 0.000 0.297 207 T C 1.034 175.752 174.700 0.029 0.000 1.029 207 T CA 0.169 62.283 62.100 0.022 0.000 1.104 207 T CB 2.097 70.972 68.868 0.013 0.000 0.964 207 T HN 0.667 nan 8.240 nan 0.000 0.532 208 L N 1.255 122.496 121.223 0.029 0.000 2.693 208 L HA 0.360 4.699 4.340 -0.000 0.000 0.235 208 L C 1.486 178.371 176.870 0.024 0.000 1.127 208 L CA 0.534 55.396 54.840 0.037 0.000 0.914 208 L CB -0.693 41.394 42.059 0.046 0.000 1.193 208 L HN 0.601 nan 8.230 nan 0.000 0.502 209 N N -0.293 118.413 118.700 0.011 0.000 2.106 209 N HA -0.163 4.577 4.740 -0.000 0.000 0.188 209 N C 1.942 177.439 175.510 -0.022 0.000 1.029 209 N CA 1.927 54.976 53.050 -0.002 0.000 0.848 209 N CB -0.585 37.899 38.487 -0.005 0.000 1.007 209 N HN 0.333 nan 8.380 nan 0.000 0.423 210 V N -1.289 118.608 119.914 -0.029 0.000 2.392 210 V HA -0.107 4.012 4.120 -0.000 0.000 0.249 210 V C 2.116 178.149 176.094 -0.102 0.000 1.059 210 V CA 1.832 64.095 62.300 -0.061 0.000 1.051 210 V CB -1.326 30.467 31.823 -0.049 0.000 0.658 210 V HN 0.285 nan 8.190 nan 0.000 0.455 211 A N -0.020 122.768 122.820 -0.053 0.000 1.968 211 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 211 A C 2.335 179.877 177.584 -0.070 0.000 1.169 211 A CA 1.746 53.751 52.037 -0.054 0.000 0.638 211 A CB -0.662 18.379 19.000 0.069 0.000 0.812 211 A HN 0.435 nan 8.150 nan 0.000 0.446 212 V N 0.612 120.511 119.914 -0.026 0.000 2.548 212 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 212 V C 1.864 177.929 176.094 -0.049 0.000 1.055 212 V CA 2.087 64.386 62.300 -0.002 0.000 1.065 212 V CB -0.582 31.253 31.823 0.020 0.000 0.681 212 V HN 0.524 nan 8.190 nan 0.000 0.462 213 D N 0.408 120.752 120.400 -0.093 0.000 2.194 213 D HA -0.036 4.603 4.640 -0.000 0.000 0.204 213 D C 2.222 178.398 176.300 -0.206 0.000 0.964 213 D CA 1.349 55.281 54.000 -0.112 0.000 0.846 213 D CB -0.069 40.670 40.800 -0.100 0.000 0.962 213 D HN 0.443 nan 8.370 nan 0.000 0.490 214 A N 0.826 123.413 122.820 -0.388 0.000 1.877 214 A HA -0.184 4.135 4.320 -0.000 0.000 0.216 214 A C 2.548 179.762 177.584 -0.617 0.000 1.186 214 A CA 1.242 52.801 52.037 -0.796 0.000 0.620 214 A CB -1.005 16.986 19.000 -1.682 0.000 0.822 214 A HN 0.324 nan 8.150 nan 0.000 0.443 215 C N -0.729 118.372 119.300 -0.333 0.000 2.413 215 C HA -0.125 4.335 4.460 -0.000 0.000 0.276 215 C C 2.936 177.981 174.990 0.093 0.000 1.248 215 C CA 1.143 60.211 59.018 0.083 0.000 1.742 215 C CB -1.187 26.657 27.740 0.174 0.000 2.017 215 C HN 0.599 nan 8.230 nan 0.000 0.481 216 Q N 0.861 120.681 119.800 0.033 0.000 2.030 216 Q HA -0.152 4.187 4.340 -0.000 0.000 0.204 216 Q C 2.570 178.643 176.000 0.121 0.000 0.986 216 Q CA 2.147 57.998 55.803 0.080 0.000 0.843 216 Q CB -0.923 27.830 28.738 0.024 0.000 0.904 216 Q HN 0.734 nan 8.270 nan 0.000 0.420 217 A N 1.284 124.124 122.820 0.033 0.000 1.858 217 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 217 A C 2.346 180.110 177.584 0.299 0.000 1.190 217 A CA 2.107 54.201 52.037 0.095 0.000 0.617 217 A CB -0.880 18.114 19.000 -0.009 0.000 0.827 217 A HN 0.386 nan 8.150 nan 0.000 0.443 218 A N -0.423 122.529 122.820 0.219 0.000 2.131 218 A HA 0.149 4.469 4.320 -0.000 0.000 0.220 218 A C 2.293 180.032 177.584 0.259 0.000 1.158 218 A CA 1.919 54.127 52.037 0.286 0.000 0.665 218 A CB -0.760 18.456 19.000 0.360 0.000 0.795 218 A HN 1.069 nan 8.150 nan 0.000 0.460 219 A N -1.051 121.920 122.820 0.252 0.000 2.014 219 A HA 0.126 4.445 4.320 -0.000 0.000 0.218 219 A C 1.095 178.743 177.584 0.107 0.000 1.163 219 A CA 0.693 52.832 52.037 0.171 0.000 0.652 219 A CB -0.410 18.691 19.000 0.168 0.000 0.808 219 A HN 0.603 nan 8.150 nan 0.000 0.449 220 H N -0.702 118.376 119.070 0.013 0.000 2.534 220 H HA 0.461 5.017 4.556 -0.001 0.000 0.364 220 H C 0.501 175.679 175.328 -0.250 0.000 1.328 220 H CA 0.205 56.177 56.048 -0.127 0.000 1.415 220 H CB 0.617 30.261 29.762 -0.197 0.000 1.573 220 H HN 0.180 nan 8.280 nan 0.000 0.601 221 S N 0.815 116.419 115.700 -0.160 0.000 2.537 221 S HA 0.227 4.696 4.470 -0.000 0.000 0.275 221 S C -0.880 173.540 174.600 -0.299 0.000 1.272 221 S CA -0.574 57.544 58.200 -0.136 0.000 1.050 221 S CB -0.000 63.176 63.200 -0.039 0.000 0.961 221 S HN 0.526 nan 8.310 nan 0.000 0.496 222 H N 2.314 121.488 119.070 0.174 0.000 2.797 222 H HA 0.371 4.927 4.556 -0.001 0.000 0.372 222 H C -1.163 174.295 175.328 0.216 0.000 1.168 222 H CA -0.557 55.629 56.048 0.230 0.000 1.163 222 H CB 1.439 31.345 29.762 0.240 0.000 1.778 222 H HN 0.710 nan 8.280 nan 0.000 0.551 223 H N 1.509 120.752 119.070 0.290 0.000 2.786 223 H HA 0.243 4.799 4.556 -0.001 0.000 0.284 223 H C -0.820 174.633 175.328 0.207 0.000 1.104 223 H CA -0.417 55.715 56.048 0.140 0.000 1.339 223 H CB 0.055 29.862 29.762 0.075 0.000 1.427 223 H HN 0.376 nan 8.280 nan 0.000 0.497 224 F N -0.041 119.946 119.950 0.063 0.000 2.631 224 F HA 0.643 5.170 4.527 -0.000 0.000 0.328 224 F C -0.842 174.965 175.800 0.011 0.000 1.067 224 F CA -1.540 56.483 58.000 0.039 0.000 0.969 224 F CB 1.368 40.372 39.000 0.007 0.000 1.332 224 F HN 0.058 nan 8.300 nan 0.000 0.490 225 M N 2.038 121.770 119.600 0.220 0.000 2.080 225 M HA 0.549 5.029 4.480 -0.000 0.000 0.350 225 M C 0.055 176.462 176.300 0.179 0.000 1.173 225 M CA -0.121 55.228 55.300 0.081 0.000 1.052 225 M CB 0.977 33.629 32.600 0.087 0.000 1.577 225 M HN 0.985 nan 8.290 nan 0.000 0.455 226 G N 1.789 110.597 108.800 0.015 0.000 3.176 226 G HA2 0.767 4.726 3.960 -0.000 0.000 0.272 226 G HA3 0.767 4.726 3.960 -0.000 0.000 0.272 226 G C -1.323 173.594 174.900 0.028 0.000 1.349 226 G CA -0.613 44.552 45.100 0.108 0.000 0.953 226 G HN 0.632 nan 8.290 nan 0.000 0.559 227 V N -1.104 118.834 119.914 0.041 0.000 2.628 227 V HA 0.839 4.958 4.120 -0.000 0.000 0.306 227 V C 0.457 176.541 176.094 -0.016 0.000 1.045 227 V CA 0.169 62.480 62.300 0.017 0.000 0.905 227 V CB 1.085 32.936 31.823 0.046 0.000 0.997 227 V HN 1.238 nan 8.190 nan 0.000 0.436 228 T N 1.452 115.990 114.554 -0.028 0.000 2.732 228 T HA 0.352 4.702 4.350 -0.000 0.000 0.287 228 T C 0.919 175.580 174.700 -0.065 0.000 0.993 228 T CA -0.401 61.667 62.100 -0.053 0.000 0.966 228 T CB 0.605 69.445 68.868 -0.046 0.000 1.047 228 T HN 0.704 nan 8.240 nan 0.000 0.527 229 K N -0.226 120.110 120.400 -0.107 0.000 2.360 229 K HA -0.085 4.235 4.320 -0.000 0.000 0.201 229 K C 1.259 177.840 176.600 -0.032 0.000 1.046 229 K CA 1.191 57.397 56.287 -0.136 0.000 0.945 229 K CB -0.428 31.963 32.500 -0.182 0.000 0.750 229 K HN 0.734 nan 8.250 nan 0.000 0.464 230 H N -0.684 118.336 119.070 -0.082 0.000 2.524 230 H HA 0.115 4.671 4.556 -0.001 0.000 0.299 230 H C 0.632 175.933 175.328 -0.044 0.000 1.074 230 H CA -0.071 55.941 56.048 -0.060 0.000 1.115 230 H CB 0.310 30.046 29.762 -0.044 0.000 1.522 230 H HN 0.331 nan 8.280 nan 0.000 0.543 231 G N 1.135 109.969 108.800 0.058 0.000 2.203 231 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.263 231 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.263 231 G C 0.039 174.962 174.900 0.039 0.000 1.012 231 G CA 0.561 45.688 45.100 0.044 0.000 0.749 231 G HN 0.251 nan 8.290 nan 0.000 0.512 232 V N 0.275 120.211 119.914 0.037 0.000 2.581 232 V HA 0.796 4.916 4.120 -0.000 0.000 0.303 232 V C 0.811 176.911 176.094 0.010 0.000 1.041 232 V CA -0.544 61.769 62.300 0.022 0.000 0.907 232 V CB 1.759 33.596 31.823 0.024 0.000 0.994 232 V HN 1.029 nan 8.190 nan 0.000 0.442 233 A N 3.505 126.330 122.820 0.008 0.000 2.450 233 A HA 0.780 5.099 4.320 -0.000 0.000 0.255 233 A C 0.272 177.847 177.584 -0.014 0.000 1.096 233 A CA 0.495 52.535 52.037 0.004 0.000 0.778 233 A CB 0.154 19.161 19.000 0.011 0.000 1.031 233 A HN 1.607 nan 8.150 nan 0.000 0.494 234 A N 2.205 125.004 122.820 -0.035 0.000 2.606 234 A HA 0.626 4.946 4.320 -0.000 0.000 0.293 234 A C -0.608 176.914 177.584 -0.104 0.000 1.082 234 A CA -0.648 51.352 52.037 -0.060 0.000 0.685 234 A CB 0.652 19.609 19.000 -0.071 0.000 1.284 234 A HN 0.763 nan 8.150 nan 0.000 0.408 235 I N 2.560 123.070 120.570 -0.100 0.000 2.389 235 I HA 0.153 4.323 4.170 -0.000 0.000 0.295 235 I C 0.211 176.168 176.117 -0.266 0.000 1.117 235 I CA 0.312 61.533 61.300 -0.132 0.000 1.317 235 I CB 0.364 38.340 38.000 -0.040 0.000 1.431 235 I HN 0.559 nan 8.210 nan 0.000 0.521 236 T N 4.462 118.726 114.554 -0.483 0.000 2.889 236 T HA 0.290 4.640 4.350 -0.000 0.000 0.291 236 T C 0.260 174.544 174.700 -0.694 0.000 0.995 236 T CA -0.284 61.418 62.100 -0.663 0.000 1.092 236 T CB 1.064 69.270 68.868 -1.104 0.000 0.954 236 T HN 0.474 nan 8.240 nan 0.000 0.506 237 T N 2.836 117.075 114.554 -0.525 0.000 2.840 237 T HA 0.532 4.881 4.350 -0.000 0.000 0.287 237 T C 0.276 174.841 174.700 -0.226 0.000 0.991 237 T CA -0.891 60.905 62.100 -0.508 0.000 0.964 237 T CB 1.210 69.722 68.868 -0.594 0.000 0.954 237 T HN 0.775 nan 8.240 nan 0.000 0.438 238 T N 0.339 114.852 114.554 -0.068 0.000 2.934 238 T HA 0.491 4.841 4.350 -0.000 0.000 0.283 238 T C 1.120 175.824 174.700 0.007 0.000 1.005 238 T CA -0.920 61.197 62.100 0.027 0.000 1.041 238 T CB 2.133 71.110 68.868 0.182 0.000 1.042 238 T HN 0.470 nan 8.240 nan 0.000 0.505 239 K N 0.448 120.846 120.400 -0.003 0.000 2.211 239 K HA 0.347 4.667 4.320 -0.000 0.000 0.201 239 K C 0.782 177.370 176.600 -0.019 0.000 1.052 239 K CA 0.710 56.984 56.287 -0.022 0.000 0.973 239 K CB -0.395 32.084 32.500 -0.035 0.000 0.766 239 K HN 1.135 nan 8.250 nan 0.000 0.466 240 G N 1.045 109.851 108.800 0.010 0.000 2.885 240 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.685 240 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.685 240 G C -1.702 173.196 174.900 -0.003 0.000 1.216 240 G CA -0.810 44.305 45.100 0.025 0.000 0.790 240 G HN 0.223 nan 8.290 nan 0.000 0.631 241 N N 0.950 119.668 118.700 0.030 0.000 2.424 241 N HA 0.379 5.118 4.740 -0.000 0.000 0.271 241 N C 1.066 176.582 175.510 0.009 0.000 0.985 241 N CA -0.378 52.662 53.050 -0.016 0.000 0.921 241 N CB 1.467 39.963 38.487 0.015 0.000 1.149 241 N HN 0.710 nan 8.380 nan 0.000 0.492 242 E N 2.883 123.023 120.200 -0.100 0.000 2.476 242 E HA -0.004 4.346 4.350 -0.000 0.000 0.196 242 E C -0.469 176.236 176.600 0.175 0.000 1.029 242 E CA 0.315 56.715 56.400 0.001 0.000 0.896 242 E CB -0.494 29.182 29.700 -0.039 0.000 1.012 242 E HN 0.655 nan 8.360 nan 0.000 0.475 243 H N 0.023 119.185 119.070 0.154 0.000 2.507 243 H HA 0.350 4.905 4.556 -0.000 0.000 0.271 243 H C -0.697 174.810 175.328 0.299 0.000 1.224 243 H CA -0.765 55.411 56.048 0.213 0.000 1.000 243 H CB 0.153 30.032 29.762 0.195 0.000 1.663 243 H HN 0.072 nan 8.280 nan 0.000 0.548 244 C N 2.278 121.805 119.300 0.379 0.000 2.303 244 C HA 0.409 4.868 4.460 -0.000 0.000 0.326 244 C C -0.022 175.205 174.990 0.396 0.000 1.285 244 C CA -0.829 58.373 59.018 0.306 0.000 1.675 244 C CB -1.276 26.660 27.740 0.327 0.000 2.289 244 C HN 0.555 nan 8.230 nan 0.000 0.512 245 F N 1.500 121.592 119.950 0.237 0.000 2.654 245 F HA 0.894 5.421 4.527 -0.000 0.000 0.334 245 F C -0.604 175.343 175.800 0.244 0.000 1.078 245 F CA -1.477 56.652 58.000 0.214 0.000 0.986 245 F CB 0.170 39.270 39.000 0.166 0.000 1.362 245 F HN 0.191 nan 8.300 nan 0.000 0.498 246 V N 2.284 122.424 119.914 0.375 0.000 2.539 246 V HA 0.426 4.545 4.120 -0.000 0.000 0.292 246 V C -0.002 176.272 176.094 0.301 0.000 1.045 246 V CA -0.684 61.773 62.300 0.261 0.000 0.945 246 V CB 1.512 33.462 31.823 0.211 0.000 0.993 246 V HN 0.610 nan 8.190 nan 0.000 0.464 247 I N 4.965 125.665 120.570 0.216 0.000 2.433 247 I HA 0.424 4.593 4.170 -0.000 0.000 0.292 247 I C -0.675 175.550 176.117 0.180 0.000 1.001 247 I CA -0.513 60.920 61.300 0.222 0.000 1.119 247 I CB 1.808 39.927 38.000 0.198 0.000 1.289 247 I HN 0.319 nan 8.210 nan 0.000 0.438 248 L N 6.813 128.140 121.223 0.173 0.000 2.264 248 L HA 0.424 4.763 4.340 -0.000 0.000 0.289 248 L C 0.253 177.221 176.870 0.164 0.000 1.044 248 L CA -0.476 54.459 54.840 0.157 0.000 0.807 248 L CB 0.797 42.948 42.059 0.153 0.000 1.192 248 L HN 0.682 nan 8.230 nan 0.000 0.425 249 R N 1.417 122.011 120.500 0.157 0.000 2.616 249 R HA 0.478 4.817 4.340 -0.000 0.000 0.427 249 R C 0.423 176.821 176.300 0.162 0.000 1.030 249 R CA -0.093 56.105 56.100 0.165 0.000 1.133 249 R CB 0.147 30.563 30.300 0.193 0.000 1.444 249 R HN 0.646 nan 8.270 nan 0.000 0.578 250 G N -0.355 108.534 108.800 0.148 0.000 2.569 250 G HA2 0.162 4.122 3.960 -0.000 0.000 0.259 250 G HA3 0.162 4.122 3.960 -0.000 0.000 0.259 250 G C 0.302 175.262 174.900 0.100 0.000 1.263 250 G CA 0.065 45.240 45.100 0.125 0.000 0.928 250 G HN 1.190 nan 8.290 nan 0.000 0.572 251 G N -2.478 106.374 108.800 0.087 0.000 2.356 251 G HA2 0.458 4.418 3.960 -0.000 0.000 0.266 251 G HA3 0.458 4.418 3.960 -0.000 0.000 0.266 251 G C 0.385 175.316 174.900 0.052 0.000 1.312 251 G CA 0.551 45.692 45.100 0.068 0.000 0.922 251 G HN 0.952 nan 8.290 nan 0.000 0.480 252 K N 0.307 120.730 120.400 0.038 0.000 2.217 252 K HA 0.125 4.445 4.320 -0.000 0.000 0.202 252 K C 2.459 179.073 176.600 0.024 0.000 1.051 252 K CA 1.422 57.727 56.287 0.030 0.000 0.952 252 K CB -0.151 32.363 32.500 0.023 0.000 0.736 252 K HN 0.544 nan 8.250 nan 0.000 0.453 253 K N 1.782 122.196 120.400 0.023 0.000 2.611 253 K HA 0.105 4.425 4.320 -0.000 0.000 0.193 253 K C 0.519 177.127 176.600 0.013 0.000 1.026 253 K CA 0.758 57.054 56.287 0.015 0.000 1.063 253 K CB -1.021 31.487 32.500 0.014 0.000 0.839 253 K HN 0.459 nan 8.250 nan 0.000 0.505 254 G N -0.415 108.398 108.800 0.022 0.000 2.707 254 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.686 254 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.686 254 G C 0.107 175.026 174.900 0.031 0.000 1.315 254 G CA -0.129 44.983 45.100 0.021 0.000 0.832 254 G HN 1.299 nan 8.290 nan 0.000 0.573 255 T N -1.310 113.268 114.554 0.039 0.000 2.932 255 T HA 0.420 4.770 4.350 -0.000 0.000 0.312 255 T C 0.759 175.439 174.700 -0.033 0.000 1.071 255 T CA 0.597 62.744 62.100 0.078 0.000 1.128 255 T CB 0.996 69.970 68.868 0.176 0.000 0.984 255 T HN 1.916 nan 8.240 nan 0.000 0.549 256 N N 1.152 119.870 118.700 0.030 0.000 2.642 256 N HA 0.109 4.848 4.740 -0.000 0.000 0.308 256 N C -0.322 175.190 175.510 0.004 0.000 1.914 256 N CA -0.917 52.110 53.050 -0.039 0.000 0.893 256 N CB -0.363 38.139 38.487 0.026 0.000 1.322 256 N HN 0.904 nan 8.380 nan 0.000 0.490 257 Y N -1.585 118.729 120.300 0.025 0.000 2.444 257 Y HA 0.369 4.919 4.550 -0.000 0.000 0.252 257 Y C 0.037 175.941 175.900 0.007 0.000 1.091 257 Y CA -0.993 57.122 58.100 0.025 0.000 1.276 257 Y CB -0.265 38.204 38.460 0.014 0.000 1.170 257 Y HN 0.024 nan 8.280 nan 0.000 0.517 258 D N 1.349 121.469 120.400 -0.468 0.000 2.369 258 D HA 0.240 4.880 4.640 -0.000 0.000 0.241 258 D C 1.664 177.917 176.300 -0.079 0.000 1.271 258 D CA 0.278 54.153 54.000 -0.209 0.000 0.942 258 D CB 0.831 41.456 40.800 -0.293 0.000 1.129 258 D HN 0.209 nan 8.370 nan 0.000 0.476 259 A N -0.181 122.615 122.820 -0.040 0.000 1.933 259 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 259 A C 2.027 179.596 177.584 -0.025 0.000 1.175 259 A CA 1.839 53.866 52.037 -0.016 0.000 0.628 259 A CB -0.875 18.120 19.000 -0.008 0.000 0.814 259 A HN 0.667 nan 8.150 nan 0.000 0.444 260 K N -0.033 120.340 120.400 -0.045 0.000 2.026 260 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 260 K C 2.219 178.798 176.600 -0.034 0.000 1.048 260 K CA 1.656 57.920 56.287 -0.038 0.000 0.929 260 K CB -0.195 32.276 32.500 -0.048 0.000 0.713 260 K HN 0.461 nan 8.250 nan 0.000 0.439 261 S N 0.693 116.360 115.700 -0.056 0.000 2.353 261 S HA -0.132 4.337 4.470 -0.000 0.000 0.222 261 S C 1.961 176.559 174.600 -0.004 0.000 1.035 261 S CA 1.497 59.672 58.200 -0.041 0.000 1.025 261 S CB -0.320 62.833 63.200 -0.079 0.000 0.902 261 S HN 0.140 nan 8.310 nan 0.000 0.440 262 V N 2.052 121.968 119.914 0.004 0.000 2.688 262 V HA -0.193 3.927 4.120 -0.000 0.000 0.256 262 V C 2.491 178.600 176.094 0.025 0.000 1.084 262 V CA 1.446 63.763 62.300 0.030 0.000 1.103 262 V CB -1.328 30.518 31.823 0.039 0.000 0.688 262 V HN 0.537 nan 8.190 nan 0.000 0.480 263 A N 0.660 123.487 122.820 0.012 0.000 1.854 263 A HA -0.198 4.122 4.320 -0.000 0.000 0.214 263 A C 2.175 179.768 177.584 0.016 0.000 1.192 263 A CA 1.597 53.642 52.037 0.012 0.000 0.611 263 A CB -0.392 18.610 19.000 0.004 0.000 0.832 263 A HN 0.641 nan 8.150 nan 0.000 0.442 264 E N 0.450 120.657 120.200 0.012 0.000 2.110 264 E HA -0.070 4.279 4.350 -0.000 0.000 0.193 264 E C 2.171 178.787 176.600 0.026 0.000 0.988 264 E CA 0.890 57.299 56.400 0.015 0.000 0.804 264 E CB -0.405 29.301 29.700 0.009 0.000 0.745 264 E HN 0.577 nan 8.360 nan 0.000 0.458 265 A N 2.500 125.339 122.820 0.033 0.000 1.841 265 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 265 A C 2.047 179.661 177.584 0.050 0.000 1.199 265 A CA 1.857 53.923 52.037 0.048 0.000 0.621 265 A CB -0.450 18.586 19.000 0.060 0.000 0.835 265 A HN 0.101 nan 8.150 nan 0.000 0.445 266 K N 0.036 120.463 120.400 0.046 0.000 2.360 266 K HA 0.036 4.356 4.320 -0.000 0.000 0.201 266 K C 2.025 178.647 176.600 0.037 0.000 1.046 266 K CA 0.886 57.199 56.287 0.044 0.000 0.945 266 K CB -0.291 32.232 32.500 0.038 0.000 0.750 266 K HN 0.464 nan 8.250 nan 0.000 0.464 267 A N 1.511 124.350 122.820 0.032 0.000 1.897 267 A HA -0.159 4.160 4.320 -0.000 0.000 0.215 267 A C 1.965 179.566 177.584 0.028 0.000 1.181 267 A CA 1.040 53.093 52.037 0.026 0.000 0.620 267 A CB -0.211 18.801 19.000 0.020 0.000 0.821 267 A HN 0.269 nan 8.150 nan 0.000 0.443 268 Q N -0.328 119.491 119.800 0.031 0.000 2.311 268 Q HA 0.180 4.520 4.340 -0.000 0.000 0.203 268 Q C -0.063 175.961 176.000 0.039 0.000 0.954 268 Q CA -0.087 55.735 55.803 0.032 0.000 0.885 268 Q CB -0.177 28.579 28.738 0.030 0.000 0.963 268 Q HN 0.555 nan 8.270 nan 0.000 0.471 269 L N 2.465 123.717 121.223 0.049 0.000 2.456 269 L HA 0.117 4.457 4.340 -0.000 0.000 0.272 269 L C -2.001 174.901 176.870 0.053 0.000 1.189 269 L CA -1.517 53.358 54.840 0.059 0.000 0.846 269 L CB -0.253 41.849 42.059 0.071 0.000 1.111 269 L HN -0.087 nan 8.230 nan 0.000 0.475 270 P HA 0.187 nan 4.420 nan 0.000 0.277 270 P C -0.877 176.455 177.300 0.054 0.000 1.271 270 P CA -0.547 62.584 63.100 0.053 0.000 0.795 270 P CB 0.593 32.328 31.700 0.057 0.000 1.101 271 A N 0.557 123.405 122.820 0.048 0.000 2.450 271 A HA 0.463 4.782 4.320 -0.000 0.000 0.255 271 A C 1.279 178.894 177.584 0.051 0.000 1.096 271 A CA 0.557 52.621 52.037 0.044 0.000 0.778 271 A CB -1.419 17.603 19.000 0.037 0.000 1.031 271 A HN 0.839 nan 8.150 nan 0.000 0.494 272 G N 2.119 110.950 108.800 0.051 0.000 2.162 272 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.260 272 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.260 272 G C 0.666 175.610 174.900 0.074 0.000 0.976 272 G CA 0.522 45.656 45.100 0.057 0.000 0.655 272 G HN 1.056 nan 8.290 nan 0.000 0.533 273 S N 0.162 115.910 115.700 0.080 0.000 2.612 273 S HA 0.388 4.857 4.470 -0.000 0.000 0.253 273 S C 0.992 175.657 174.600 0.108 0.000 1.346 273 S CA -0.009 58.254 58.200 0.105 0.000 0.976 273 S CB 0.430 63.693 63.200 0.105 0.000 0.949 273 S HN 0.522 nan 8.310 nan 0.000 0.584 274 N N -0.355 118.430 118.700 0.142 0.000 2.681 274 N HA 0.411 5.151 4.740 -0.000 0.000 0.311 274 N C 0.775 176.345 175.510 0.100 0.000 1.303 274 N CA -0.303 52.820 53.050 0.122 0.000 0.926 274 N CB -0.213 38.380 38.487 0.178 0.000 1.136 274 N HN 0.618 nan 8.380 nan 0.000 0.592 275 G N -0.243 108.577 108.800 0.033 0.000 2.418 275 G HA2 0.369 4.328 3.960 -0.000 0.000 0.276 275 G HA3 0.369 4.328 3.960 -0.000 0.000 0.276 275 G C -0.545 174.407 174.900 0.087 0.000 1.442 275 G CA -0.009 45.094 45.100 0.005 0.000 1.066 275 G HN 0.338 nan 8.290 nan 0.000 0.553 276 L N -0.547 120.715 121.223 0.066 0.000 2.464 276 L HA 0.433 4.773 4.340 -0.000 0.000 0.266 276 L C -0.374 176.571 176.870 0.125 0.000 0.965 276 L CA -0.492 54.439 54.840 0.152 0.000 0.833 276 L CB 2.349 44.480 42.059 0.120 0.000 1.296 276 L HN 0.541 nan 8.230 nan 0.000 0.405 277 M N 3.579 123.322 119.600 0.239 0.000 2.472 277 M HA 0.617 5.096 4.480 -0.000 0.000 0.331 277 M C -1.380 175.017 176.300 0.161 0.000 1.170 277 M CA -0.311 55.096 55.300 0.177 0.000 1.009 277 M CB 1.830 34.638 32.600 0.347 0.000 1.672 277 M HN 0.457 nan 8.290 nan 0.000 0.453 278 I N 2.805 123.441 120.570 0.111 0.000 2.447 278 I HA 0.252 4.422 4.170 -0.000 0.000 0.287 278 I C -1.258 174.928 176.117 0.115 0.000 1.023 278 I CA -0.788 60.606 61.300 0.157 0.000 1.083 278 I CB 1.853 39.986 38.000 0.222 0.000 1.245 278 I HN 0.593 nan 8.210 nan 0.000 0.434 279 D N 5.337 125.809 120.400 0.120 0.000 2.249 279 D HA 0.147 4.786 4.640 -0.000 0.000 0.246 279 D C 0.394 176.779 176.300 0.142 0.000 1.114 279 D CA 0.044 54.066 54.000 0.038 0.000 0.854 279 D CB 0.830 41.630 40.800 0.001 0.000 1.132 279 D HN 0.252 nan 8.370 nan 0.000 0.461 280 Y N 1.592 121.805 120.300 -0.145 0.000 2.561 280 Y HA 0.054 4.604 4.550 -0.000 0.000 0.291 280 Y C 1.304 177.093 175.900 -0.185 0.000 1.141 280 Y CA -0.069 57.919 58.100 -0.186 0.000 1.303 280 Y CB -0.746 37.611 38.460 -0.171 0.000 1.015 280 Y HN 0.299 nan 8.280 nan 0.000 0.547 281 S N -2.249 113.399 115.700 -0.087 0.000 2.801 281 S HA 0.555 5.025 4.470 -0.000 0.000 0.312 281 S C -0.125 174.371 174.600 -0.173 0.000 1.112 281 S CA -0.049 58.050 58.200 -0.169 0.000 0.943 281 S CB 2.415 65.459 63.200 -0.259 0.000 1.269 281 S HN 0.511 nan 8.310 nan 0.000 0.558 282 H N -0.486 118.625 119.070 0.069 0.000 1.453 282 H HA -0.240 4.316 4.556 -0.000 0.000 0.090 282 H C 1.588 176.960 175.328 0.072 0.000 0.621 282 H CA 0.663 56.751 56.048 0.067 0.000 1.901 282 H CB -1.785 28.018 29.762 0.067 0.000 2.257 282 H HN 0.812 nan 8.280 nan 0.000 0.961 283 G N 0.371 109.317 108.800 0.244 0.000 2.418 283 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 283 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 283 G C 1.226 176.215 174.900 0.148 0.000 1.158 283 G CA 1.306 46.503 45.100 0.162 0.000 0.771 283 G HN 0.504 nan 8.290 nan 0.000 0.545 284 N N 0.728 119.519 118.700 0.150 0.000 2.457 284 N HA -0.059 4.681 4.740 -0.000 0.000 0.180 284 N C 2.350 177.895 175.510 0.057 0.000 1.050 284 N CA 1.177 54.325 53.050 0.163 0.000 0.906 284 N CB 0.119 38.706 38.487 0.165 0.000 0.968 284 N HN 0.468 nan 8.380 nan 0.000 0.445 285 S N 0.282 116.007 115.700 0.042 0.000 2.503 285 S HA -0.023 4.447 4.470 -0.000 0.000 0.217 285 S C 0.469 175.091 174.600 0.037 0.000 0.999 285 S CA -0.164 58.043 58.200 0.010 0.000 0.914 285 S CB -0.263 62.959 63.200 0.038 0.000 0.782 285 S HN 0.277 nan 8.310 nan 0.000 0.520 286 N N 1.867 120.610 118.700 0.070 0.000 2.498 286 N HA -0.231 4.509 4.740 -0.000 0.000 0.297 286 N C 0.582 176.123 175.510 0.053 0.000 1.338 286 N CA 1.640 54.729 53.050 0.065 0.000 0.681 286 N CB -1.782 36.740 38.487 0.059 0.000 0.952 286 N HN 0.932 nan 8.380 nan 0.000 0.524 287 K N 0.560 121.001 120.400 0.067 0.000 7.118 287 K HA -0.328 3.992 4.320 -0.000 0.000 0.461 287 K C 0.326 176.975 176.600 0.081 0.000 0.407 287 K CA 2.119 58.446 56.287 0.067 0.000 1.885 287 K CB -2.010 30.518 32.500 0.047 0.000 0.873 287 K HN 0.913 nan 8.250 nan 0.000 0.809 288 D N -0.647 119.779 120.400 0.045 0.000 2.163 288 D HA 0.579 5.219 4.640 -0.000 0.000 0.248 288 D C 1.089 177.397 176.300 0.013 0.000 1.035 288 D CA -0.139 53.868 54.000 0.012 0.000 0.872 288 D CB 0.791 41.533 40.800 -0.097 0.000 1.183 288 D HN 0.506 nan 8.370 nan 0.000 0.445 289 F N 2.384 122.334 119.950 -0.000 0.000 2.710 289 F HA 0.241 4.767 4.527 -0.000 0.000 0.298 289 F C 1.632 177.419 175.800 -0.022 0.000 1.137 289 F CA 0.013 58.009 58.000 -0.008 0.000 1.444 289 F CB -0.147 38.853 39.000 0.000 0.000 1.111 289 F HN 0.164 nan 8.300 nan 0.000 0.580 290 R N 0.486 120.533 120.500 -0.756 0.000 2.307 290 R HA 0.046 4.386 4.340 -0.000 0.000 0.199 290 R C 0.599 176.743 176.300 -0.260 0.000 1.000 290 R CA 0.524 56.295 56.100 -0.548 0.000 1.023 290 R CB -0.510 29.441 30.300 -0.583 0.000 0.908 290 R HN 0.251 nan 8.270 nan 0.000 0.473 291 N N 0.718 119.299 118.700 -0.198 0.000 2.313 291 N HA -0.002 4.738 4.740 -0.000 0.000 0.207 291 N C 0.883 176.289 175.510 -0.174 0.000 1.141 291 N CA 0.349 53.307 53.050 -0.153 0.000 0.830 291 N CB 0.556 38.979 38.487 -0.107 0.000 1.008 291 N HN 0.373 nan 8.380 nan 0.000 0.481 292 Q N 0.001 119.720 119.800 -0.135 0.000 2.165 292 Q HA 0.056 4.396 4.340 -0.000 0.000 0.197 292 Q C -0.768 175.111 176.000 -0.202 0.000 0.952 292 Q CA 0.855 56.581 55.803 -0.128 0.000 0.848 292 Q CB -0.591 28.164 28.738 0.028 0.000 0.931 292 Q HN 0.256 nan 8.270 nan 0.000 0.470 293 P HA -0.132 nan 4.420 nan 0.000 0.218 293 P C 0.713 177.893 177.300 -0.201 0.000 1.149 293 P CA 1.271 64.289 63.100 -0.137 0.000 0.817 293 P CB 0.012 31.656 31.700 -0.093 0.000 0.785 294 K N -0.577 119.698 120.400 -0.209 0.000 2.097 294 K HA -0.049 4.271 4.320 -0.000 0.000 0.205 294 K C 1.898 178.314 176.600 -0.308 0.000 1.050 294 K CA 1.199 57.365 56.287 -0.201 0.000 0.938 294 K CB -0.859 31.550 32.500 -0.153 0.000 0.718 294 K HN 0.042 nan 8.250 nan 0.000 0.442 295 V N 2.036 121.638 119.914 -0.521 0.000 2.358 295 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 295 V C 2.078 177.671 176.094 -0.835 0.000 1.047 295 V CA 1.846 63.615 62.300 -0.885 0.000 1.035 295 V CB -0.720 30.390 31.823 -1.190 0.000 0.658 295 V HN 0.364 nan 8.190 nan 0.000 0.452 296 N N 0.692 118.854 118.700 -0.895 0.000 2.094 296 N HA -0.210 4.529 4.740 -0.000 0.000 0.191 296 N C 1.497 176.851 175.510 -0.261 0.000 1.023 296 N CA 1.918 54.586 53.050 -0.636 0.000 0.857 296 N CB -0.267 38.065 38.487 -0.258 0.000 1.013 296 N HN 0.474 nan 8.380 nan 0.000 0.426 297 D N -0.307 119.969 120.400 -0.207 0.000 2.088 297 D HA -0.133 4.507 4.640 -0.000 0.000 0.191 297 D C 2.081 178.339 176.300 -0.070 0.000 0.992 297 D CA 1.239 55.175 54.000 -0.106 0.000 0.831 297 D CB -0.711 40.037 40.800 -0.088 0.000 0.973 297 D HN 0.089 nan 8.370 nan 0.000 0.447 298 V N 1.068 120.946 119.914 -0.061 0.000 2.370 298 V HA -0.239 3.881 4.120 -0.000 0.000 0.252 298 V C 2.612 178.730 176.094 0.040 0.000 1.068 298 V CA 1.276 63.595 62.300 0.032 0.000 1.061 298 V CB -0.446 31.491 31.823 0.190 0.000 0.656 298 V HN 0.060 nan 8.190 nan 0.000 0.455 299 V N -1.907 118.004 119.914 -0.005 0.000 2.407 299 V HA -0.199 3.921 4.120 -0.000 0.000 0.245 299 V C 2.463 178.580 176.094 0.039 0.000 1.041 299 V CA 1.711 64.040 62.300 0.048 0.000 1.040 299 V CB -0.729 31.143 31.823 0.082 0.000 0.671 299 V HN 0.605 nan 8.190 nan 0.000 0.455 300 C N 0.053 119.360 119.300 0.011 0.000 2.413 300 C HA -0.185 4.275 4.460 -0.000 0.000 0.276 300 C C 2.776 177.771 174.990 0.009 0.000 1.248 300 C CA 1.603 60.628 59.018 0.013 0.000 1.742 300 C CB -0.794 26.944 27.740 -0.005 0.000 2.017 300 C HN 0.684 nan 8.230 nan 0.000 0.481 301 E N 0.618 120.821 120.200 0.005 0.000 2.007 301 E HA -0.250 4.099 4.350 -0.000 0.000 0.194 301 E C 2.155 178.763 176.600 0.012 0.000 0.999 301 E CA 1.494 57.897 56.400 0.005 0.000 0.811 301 E CB -0.405 29.298 29.700 0.004 0.000 0.762 301 E HN 0.667 nan 8.360 nan 0.000 0.450 302 Q N 0.141 119.954 119.800 0.020 0.000 2.197 302 Q HA -0.223 4.117 4.340 -0.000 0.000 0.211 302 Q C 2.401 178.413 176.000 0.021 0.000 0.993 302 Q CA 1.941 57.758 55.803 0.023 0.000 0.883 302 Q CB -0.302 28.458 28.738 0.036 0.000 0.916 302 Q HN 0.459 nan 8.270 nan 0.000 0.418 303 I N 0.287 120.871 120.570 0.023 0.000 2.202 303 I HA -0.257 3.912 4.170 -0.000 0.000 0.242 303 I C 2.497 178.619 176.117 0.009 0.000 1.091 303 I CA 0.827 62.137 61.300 0.017 0.000 1.368 303 I CB -0.501 37.511 38.000 0.020 0.000 1.058 303 I HN 0.184 nan 8.210 nan 0.000 0.410 304 A N 1.233 124.057 122.820 0.007 0.000 1.873 304 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 304 A C 1.828 179.413 177.584 0.002 0.000 1.193 304 A CA 2.386 54.424 52.037 0.002 0.000 0.629 304 A CB -1.125 17.875 19.000 -0.000 0.000 0.826 304 A HN 0.463 nan 8.150 nan 0.000 0.447 305 N N -0.334 118.368 118.700 0.004 0.000 2.696 305 N HA 0.215 4.955 4.740 -0.000 0.000 0.196 305 N C 0.825 176.337 175.510 0.004 0.000 1.220 305 N CA 1.177 54.229 53.050 0.003 0.000 0.940 305 N CB -0.146 38.344 38.487 0.004 0.000 0.999 305 N HN 0.817 nan 8.380 nan 0.000 0.447 306 G N 0.423 109.226 108.800 0.004 0.000 2.203 306 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.231 306 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.231 306 G C -0.374 174.530 174.900 0.006 0.000 1.058 306 G CA -0.287 44.815 45.100 0.004 0.000 0.781 306 G HN 0.372 nan 8.290 nan 0.000 0.496 307 E N 0.523 120.728 120.200 0.009 0.000 2.105 307 E HA 0.428 4.777 4.350 -0.000 0.000 0.285 307 E C 1.225 177.831 176.600 0.010 0.000 1.055 307 E CA -0.621 55.787 56.400 0.013 0.000 0.843 307 E CB 0.183 29.895 29.700 0.020 0.000 1.067 307 E HN 0.221 nan 8.360 nan 0.000 0.398 308 N N 3.630 122.335 118.700 0.008 0.000 2.373 308 N HA 0.025 4.765 4.740 -0.000 0.000 0.181 308 N C 0.816 176.328 175.510 0.004 0.000 1.082 308 N CA 0.737 53.789 53.050 0.003 0.000 0.885 308 N CB 0.451 38.939 38.487 0.002 0.000 0.977 308 N HN 0.502 nan 8.380 nan 0.000 0.462 309 A N 1.004 123.833 122.820 0.015 0.000 2.014 309 A HA 0.101 4.421 4.320 -0.000 0.000 0.218 309 A C 1.227 178.824 177.584 0.021 0.000 1.163 309 A CA 0.267 52.317 52.037 0.023 0.000 0.652 309 A CB -0.234 18.787 19.000 0.034 0.000 0.808 309 A HN 0.153 nan 8.150 nan 0.000 0.449 310 I N 2.275 122.858 120.570 0.021 0.000 2.278 310 I HA -0.014 4.156 4.170 -0.000 0.000 0.300 310 I C 1.550 177.659 176.117 -0.013 0.000 1.174 310 I CA 0.350 61.663 61.300 0.022 0.000 1.347 310 I CB 0.267 38.292 38.000 0.042 0.000 1.473 310 I HN 0.388 nan 8.210 nan 0.000 0.595 311 T N 0.609 115.136 114.554 -0.045 0.000 3.067 311 T HA 0.193 4.543 4.350 -0.000 0.000 0.261 311 T C 0.805 175.419 174.700 -0.144 0.000 1.110 311 T CA 0.174 62.213 62.100 -0.102 0.000 1.113 311 T CB 0.369 69.146 68.868 -0.151 0.000 0.917 311 T HN 0.579 nan 8.240 nan 0.000 0.499 312 G N 0.344 109.071 108.800 -0.122 0.000 2.646 312 G HA2 0.563 4.522 3.960 -0.000 0.000 0.291 312 G HA3 0.563 4.522 3.960 -0.000 0.000 0.291 312 G C -1.447 173.385 174.900 -0.114 0.000 1.445 312 G CA -0.275 44.733 45.100 -0.154 0.000 0.814 312 G HN 0.856 nan 8.290 nan 0.000 0.495 313 V N -1.941 117.857 119.914 -0.193 0.000 3.130 313 V HA 0.918 5.037 4.120 -0.000 0.000 0.310 313 V C -0.604 175.261 176.094 -0.383 0.000 1.158 313 V CA -1.254 60.865 62.300 -0.302 0.000 1.029 313 V CB 2.145 33.694 31.823 -0.458 0.000 1.057 313 V HN 0.880 nan 8.190 nan 0.000 0.436 314 M N 2.879 122.196 119.600 -0.472 0.000 2.204 314 M HA 0.697 5.177 4.480 -0.000 0.000 0.293 314 M C -1.768 174.277 176.300 -0.425 0.000 0.994 314 M CA -0.411 54.677 55.300 -0.354 0.000 0.925 314 M CB 1.713 34.202 32.600 -0.186 0.000 1.577 314 M HN 0.755 nan 8.290 nan 0.000 0.439 315 I N 2.655 123.032 120.570 -0.321 0.000 2.603 315 I HA 0.355 4.524 4.170 -0.000 0.000 0.300 315 I C -0.419 175.618 176.117 -0.133 0.000 1.017 315 I CA -0.399 60.773 61.300 -0.212 0.000 1.098 315 I CB 2.128 40.032 38.000 -0.159 0.000 1.279 315 I HN 0.550 nan 8.210 nan 0.000 0.437 316 E N 4.087 124.238 120.200 -0.083 0.000 2.149 316 E HA 0.455 4.804 4.350 -0.000 0.000 0.255 316 E C -1.119 175.464 176.600 -0.028 0.000 0.888 316 E CA -0.388 55.965 56.400 -0.079 0.000 0.742 316 E CB 1.352 31.009 29.700 -0.072 0.000 1.164 316 E HN 0.699 nan 8.360 nan 0.000 0.422 317 S N 2.884 118.578 115.700 -0.011 0.000 2.667 317 S HA 0.617 5.086 4.470 -0.000 0.000 0.292 317 S C -0.374 174.256 174.600 0.050 0.000 1.126 317 S CA -0.935 57.307 58.200 0.071 0.000 0.881 317 S CB 2.422 65.731 63.200 0.182 0.000 1.132 317 S HN 0.341 nan 8.310 nan 0.000 0.492 318 N N -0.887 117.916 118.700 0.172 0.000 2.972 318 N HA 0.459 5.199 4.740 -0.000 0.000 0.262 318 N C 0.784 176.520 175.510 0.376 0.000 1.478 318 N CA -0.666 52.470 53.050 0.144 0.000 0.841 318 N CB 1.469 39.931 38.487 -0.042 0.000 1.512 318 N HN 0.657 nan 8.380 nan 0.000 0.548 319 I N 0.495 121.237 120.570 0.286 0.000 2.264 319 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 319 I C -0.103 176.128 176.117 0.190 0.000 1.111 319 I CA 1.315 62.755 61.300 0.234 0.000 1.382 319 I CB -0.243 37.786 38.000 0.049 0.000 1.060 319 I HN 0.350 nan 8.210 nan 0.000 0.418 320 N N -0.252 118.507 118.700 0.098 0.000 2.321 320 N HA 0.270 5.009 4.740 -0.000 0.000 0.290 320 N C -0.782 174.731 175.510 0.005 0.000 1.212 320 N CA -0.829 52.264 53.050 0.070 0.000 0.767 320 N CB 1.251 39.768 38.487 0.049 0.000 1.494 320 N HN 0.124 nan 8.380 nan 0.000 0.479 321 E N 0.127 120.324 120.200 -0.005 0.000 2.385 321 E HA 0.598 4.948 4.350 -0.000 0.000 0.254 321 E C 0.629 177.053 176.600 -0.294 0.000 1.228 321 E CA -0.737 55.574 56.400 -0.150 0.000 0.956 321 E CB 0.323 30.052 29.700 0.049 0.000 1.116 321 E HN 0.636 nan 8.360 nan 0.000 0.507 322 G N 0.664 109.011 108.800 -0.755 0.000 2.512 322 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.240 322 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.240 322 G C -0.459 174.216 174.900 -0.374 0.000 1.246 322 G CA 0.069 44.828 45.100 -0.568 0.000 0.919 322 G HN 1.300 nan 8.290 nan 0.000 0.577 323 N N -0.712 117.867 118.700 -0.201 0.000 3.395 323 N HA 0.531 5.270 4.740 -0.000 0.000 0.293 323 N C -0.993 174.455 175.510 -0.103 0.000 1.489 323 N CA 0.340 53.296 53.050 -0.157 0.000 0.871 323 N CB 0.814 39.214 38.487 -0.145 0.000 1.649 323 N HN 1.895 nan 8.380 nan 0.000 0.501 324 Q N -1.143 118.595 119.800 -0.105 0.000 2.721 324 Q HA 0.561 4.900 4.340 -0.000 0.000 0.282 324 Q C -1.185 174.762 176.000 -0.088 0.000 0.932 324 Q CA -1.032 54.724 55.803 -0.079 0.000 0.816 324 Q CB 0.918 29.610 28.738 -0.076 0.000 1.506 324 Q HN 0.764 nan 8.270 nan 0.000 0.399 325 G N 0.675 109.440 108.800 -0.059 0.000 2.535 325 G HA2 0.603 4.563 3.960 -0.000 0.000 0.303 325 G HA3 0.603 4.563 3.960 -0.000 0.000 0.303 325 G C -0.366 174.495 174.900 -0.064 0.000 1.237 325 G CA -1.140 43.929 45.100 -0.052 0.000 0.986 325 G HN 0.546 nan 8.290 nan 0.000 0.494 326 I N 1.657 122.195 120.570 -0.053 0.000 2.452 326 I HA 0.151 4.321 4.170 -0.000 0.000 0.287 326 I C -1.756 174.346 176.117 -0.024 0.000 1.079 326 I CA -1.245 60.024 61.300 -0.052 0.000 1.387 326 I CB 1.137 39.115 38.000 -0.037 0.000 1.404 326 I HN 0.200 nan 8.210 nan 0.000 0.522 327 P HA 0.084 nan 4.420 nan 0.000 0.271 327 P C 0.563 177.861 177.300 -0.002 0.000 1.233 327 P CA -0.241 62.853 63.100 -0.010 0.000 0.789 327 P CB 0.764 32.459 31.700 -0.009 0.000 0.951 328 A N 1.697 124.519 122.820 0.002 0.000 1.892 328 A HA -0.244 4.075 4.320 -0.000 0.000 0.218 328 A C 1.476 179.065 177.584 0.008 0.000 1.188 328 A CA 1.820 53.861 52.037 0.007 0.000 0.631 328 A CB -1.269 17.735 19.000 0.007 0.000 0.822 328 A HN 0.672 nan 8.150 nan 0.000 0.447 329 E N -0.050 120.153 120.200 0.005 0.000 2.505 329 E HA 0.370 4.719 4.350 -0.000 0.000 0.197 329 E C 1.191 177.795 176.600 0.006 0.000 1.111 329 E CA 0.515 56.919 56.400 0.006 0.000 0.887 329 E CB -0.856 28.847 29.700 0.005 0.000 0.913 329 E HN 0.828 nan 8.360 nan 0.000 0.517 330 G N 1.849 110.652 108.800 0.006 0.000 2.641 330 G HA2 -0.465 3.494 3.960 -0.000 0.000 0.254 330 G HA3 -0.465 3.494 3.960 -0.000 0.000 0.254 330 G C 0.654 175.552 174.900 -0.002 0.000 1.315 330 G CA 0.086 45.190 45.100 0.005 0.000 0.907 330 G HN 0.325 nan 8.290 nan 0.000 0.572 331 K N 0.333 120.732 120.400 -0.002 0.000 2.588 331 K HA 0.005 4.325 4.320 -0.000 0.000 0.196 331 K C 2.542 179.144 176.600 0.002 0.000 1.044 331 K CA 2.111 58.395 56.287 -0.005 0.000 0.934 331 K CB -0.533 31.967 32.500 0.000 0.000 0.773 331 K HN 0.874 nan 8.250 nan 0.000 0.489 332 A N 0.069 122.891 122.820 0.003 0.000 1.903 332 A HA 0.076 4.396 4.320 -0.000 0.000 0.213 332 A C 1.793 179.381 177.584 0.006 0.000 1.185 332 A CA 1.122 53.162 52.037 0.005 0.000 0.628 332 A CB -0.103 18.900 19.000 0.005 0.000 0.830 332 A HN 0.372 nan 8.150 nan 0.000 0.446 333 G N -0.188 108.615 108.800 0.004 0.000 3.814 333 G HA2 0.478 4.438 3.960 -0.000 0.000 0.293 333 G HA3 0.478 4.438 3.960 -0.000 0.000 0.293 333 G C -0.060 174.843 174.900 0.005 0.000 1.243 333 G CA -0.317 44.786 45.100 0.005 0.000 1.053 333 G HN 0.292 nan 8.290 nan 0.000 0.562 334 L N 0.253 121.483 121.223 0.012 0.000 2.343 334 L HA 0.392 4.732 4.340 -0.000 0.000 0.275 334 L C 0.241 177.137 176.870 0.042 0.000 1.056 334 L CA -0.794 54.054 54.840 0.015 0.000 0.804 334 L CB 1.715 43.786 42.059 0.021 0.000 1.203 334 L HN 0.040 nan 8.230 nan 0.000 0.440 335 K N 2.290 122.710 120.400 0.034 0.000 2.297 335 K HA 0.129 4.449 4.320 -0.000 0.000 0.286 335 K C -0.699 175.961 176.600 0.099 0.000 1.053 335 K CA -0.423 55.900 56.287 0.061 0.000 0.940 335 K CB 0.624 33.141 32.500 0.029 0.000 1.019 335 K HN 0.268 nan 8.250 nan 0.000 0.475 336 Y N 1.390 121.690 120.300 -0.000 0.000 2.702 336 Y HA -0.006 4.544 4.550 -0.000 0.000 0.336 336 Y C 1.361 177.269 175.900 0.013 0.000 1.235 336 Y CA 1.488 59.588 58.100 0.000 0.000 1.492 336 Y CB 0.449 38.904 38.460 -0.008 0.000 1.308 336 Y HN 0.963 nan 8.280 nan 0.000 0.589 337 G N 3.740 112.143 108.800 -0.661 0.000 2.361 337 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.294 337 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.294 337 G C -0.712 174.089 174.900 -0.165 0.000 1.004 337 G CA 0.514 45.338 45.100 -0.459 0.000 0.870 337 G HN 0.721 nan 8.290 nan 0.000 0.510 338 V N 0.635 120.486 119.914 -0.106 0.000 2.325 338 V HA 0.508 4.628 4.120 -0.000 0.000 0.280 338 V C 0.926 176.940 176.094 -0.132 0.000 1.016 338 V CA -0.204 62.038 62.300 -0.097 0.000 0.818 338 V CB 1.387 33.169 31.823 -0.068 0.000 1.019 338 V HN 0.518 nan 8.190 nan 0.000 0.434 339 S N 4.435 120.041 115.700 -0.155 0.000 2.593 339 S HA 0.056 4.526 4.470 -0.000 0.000 0.300 339 S C 1.062 175.499 174.600 -0.272 0.000 1.267 339 S CA -0.003 58.073 58.200 -0.207 0.000 1.065 339 S CB 0.071 63.174 63.200 -0.161 0.000 0.807 339 S HN 0.695 nan 8.310 nan 0.000 0.499 340 I N 2.389 122.693 120.570 -0.443 0.000 3.858 340 I HA 0.233 4.403 4.170 -0.000 0.000 0.325 340 I C 0.658 176.653 176.117 -0.203 0.000 1.403 340 I CA -0.462 60.606 61.300 -0.387 0.000 1.169 340 I CB -0.607 37.015 38.000 -0.630 0.000 1.077 340 I HN 0.515 nan 8.210 nan 0.000 0.403 341 T N -2.187 112.292 114.554 -0.125 0.000 1.850 341 T HA 0.298 4.648 4.350 -0.000 0.000 0.176 341 T C 0.072 174.759 174.700 -0.022 0.000 0.702 341 T CA -0.338 61.756 62.100 -0.009 0.000 1.184 341 T CB -0.020 68.889 68.868 0.069 0.000 3.221 341 T HN 0.020 nan 8.240 nan 0.000 0.405 342 D N 1.470 121.868 120.400 -0.002 0.000 2.354 342 D HA 0.603 5.242 4.640 -0.000 0.000 0.247 342 D C -0.034 176.232 176.300 -0.057 0.000 1.138 342 D CA -0.230 53.774 54.000 0.006 0.000 0.958 342 D CB 0.996 41.838 40.800 0.070 0.000 1.144 342 D HN 0.685 nan 8.370 nan 0.000 0.458 343 A N 0.575 123.355 122.820 -0.068 0.000 2.371 343 A HA 0.447 4.767 4.320 -0.000 0.000 0.257 343 A C -0.178 177.236 177.584 -0.283 0.000 1.089 343 A CA -0.280 51.598 52.037 -0.264 0.000 0.794 343 A CB 0.241 19.068 19.000 -0.287 0.000 1.029 343 A HN 0.628 nan 8.150 nan 0.000 0.488 344 C N 0.826 119.839 119.300 -0.478 0.000 2.848 344 C HA 0.674 5.133 4.460 -0.000 0.000 0.317 344 C C 0.248 175.102 174.990 -0.227 0.000 1.260 344 C CA -0.666 58.207 59.018 -0.241 0.000 1.656 344 C CB 1.010 28.664 27.740 -0.143 0.000 2.174 344 C HN 0.854 nan 8.230 nan 0.000 0.479 345 I N 1.047 121.656 120.570 0.064 0.000 2.532 345 I HA 0.649 4.818 4.170 -0.000 0.000 0.292 345 I C 0.773 176.954 176.117 0.107 0.000 1.014 345 I CA 0.103 61.516 61.300 0.188 0.000 1.340 345 I CB 0.179 38.280 38.000 0.168 0.000 1.422 345 I HN 0.768 nan 8.210 nan 0.000 0.528 346 G N 3.697 112.573 108.800 0.127 0.000 2.744 346 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.257 346 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.257 346 G C 0.274 175.255 174.900 0.135 0.000 1.244 346 G CA -0.369 44.808 45.100 0.130 0.000 0.916 346 G HN 1.072 nan 8.290 nan 0.000 0.564 347 W N 0.030 121.361 121.300 0.053 0.000 2.409 347 W HA -0.083 4.576 4.660 -0.000 0.000 0.299 347 W C 2.017 178.536 176.519 -0.001 0.000 1.203 347 W CA 1.544 58.898 57.345 0.016 0.000 1.298 347 W CB 0.076 29.520 29.460 -0.026 0.000 1.127 347 W HN 0.668 nan 8.180 nan 0.000 0.528 348 E N 0.454 120.574 120.200 -0.133 0.000 2.023 348 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 348 E C 2.028 178.489 176.600 -0.231 0.000 1.003 348 E CA 2.806 59.098 56.400 -0.179 0.000 0.809 348 E CB -1.324 28.372 29.700 -0.007 0.000 0.755 348 E HN 0.017 nan 8.360 nan 0.000 0.449 349 T N 0.546 115.028 114.554 -0.120 0.000 2.802 349 T HA -0.175 4.174 4.350 -0.000 0.000 0.269 349 T C 1.737 176.336 174.700 -0.168 0.000 1.062 349 T CA 1.867 63.910 62.100 -0.094 0.000 1.133 349 T CB -0.524 68.341 68.868 -0.006 0.000 0.852 349 T HN 0.265 nan 8.240 nan 0.000 0.485 350 T N 1.049 115.421 114.554 -0.305 0.000 2.894 350 T HA 0.014 4.364 4.350 -0.000 0.000 0.258 350 T C 1.870 176.252 174.700 -0.530 0.000 1.043 350 T CA 0.868 62.727 62.100 -0.401 0.000 1.141 350 T CB -0.138 68.439 68.868 -0.483 0.000 0.873 350 T HN 0.509 nan 8.240 nan 0.000 0.449 351 E N 0.975 120.715 120.200 -0.766 0.000 2.160 351 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 351 E C 1.402 177.837 176.600 -0.274 0.000 0.991 351 E CA 1.103 57.176 56.400 -0.545 0.000 0.810 351 E CB 0.029 29.456 29.700 -0.456 0.000 0.742 351 E HN 0.332 nan 8.360 nan 0.000 0.466 352 D N 0.001 120.262 120.400 -0.232 0.000 2.096 352 D HA -0.157 4.483 4.640 -0.000 0.000 0.200 352 D C 2.061 178.293 176.300 -0.112 0.000 0.980 352 D CA 1.450 55.369 54.000 -0.136 0.000 0.860 352 D CB -0.682 40.053 40.800 -0.109 0.000 1.005 352 D HN 0.041 nan 8.370 nan 0.000 0.449 353 V N 1.106 120.960 119.914 -0.100 0.000 2.353 353 V HA -0.291 3.829 4.120 -0.000 0.000 0.260 353 V C 2.569 178.636 176.094 -0.044 0.000 1.091 353 V CA 1.486 63.757 62.300 -0.047 0.000 1.088 353 V CB -0.533 31.285 31.823 -0.008 0.000 0.672 353 V HN 0.214 nan 8.190 nan 0.000 0.455 354 L N -1.348 119.816 121.223 -0.098 0.000 2.068 354 L HA -0.084 4.255 4.340 -0.000 0.000 0.204 354 L C 2.711 179.543 176.870 -0.063 0.000 1.076 354 L CA 1.440 56.228 54.840 -0.086 0.000 0.753 354 L CB -0.510 41.475 42.059 -0.124 0.000 0.910 354 L HN 0.170 nan 8.230 nan 0.000 0.439 355 R N 0.373 120.831 120.500 -0.070 0.000 2.081 355 R HA -0.213 4.127 4.340 -0.000 0.000 0.235 355 R C 2.251 178.529 176.300 -0.037 0.000 1.131 355 R CA 1.503 57.574 56.100 -0.049 0.000 0.960 355 R CB -0.267 30.004 30.300 -0.050 0.000 0.856 355 R HN 0.130 nan 8.270 nan 0.000 0.436 356 K N 0.924 121.301 120.400 -0.038 0.000 2.280 356 K HA -0.095 4.224 4.320 -0.000 0.000 0.202 356 K C 1.696 178.287 176.600 -0.015 0.000 1.047 356 K CA 1.018 57.288 56.287 -0.028 0.000 0.942 356 K CB -0.002 32.480 32.500 -0.032 0.000 0.739 356 K HN 0.165 nan 8.250 nan 0.000 0.457 357 L N -0.829 120.386 121.223 -0.012 0.000 2.354 357 L HA 0.182 4.522 4.340 -0.000 0.000 0.212 357 L C 1.998 178.860 176.870 -0.013 0.000 1.091 357 L CA 0.645 55.485 54.840 0.001 0.000 0.828 357 L CB -0.083 41.982 42.059 0.011 0.000 0.973 357 L HN 0.281 nan 8.230 nan 0.000 0.461 358 A N -0.250 122.556 122.820 -0.022 0.000 1.930 358 A HA -0.039 4.280 4.320 -0.000 0.000 0.215 358 A C 2.401 179.974 177.584 -0.018 0.000 1.176 358 A CA 1.230 53.253 52.037 -0.023 0.000 0.632 358 A CB -0.588 18.397 19.000 -0.025 0.000 0.819 358 A HN 0.430 nan 8.150 nan 0.000 0.445 359 A N 0.191 123.000 122.820 -0.017 0.000 1.908 359 A HA 0.076 4.396 4.320 -0.000 0.000 0.218 359 A C 2.469 180.046 177.584 -0.011 0.000 1.181 359 A CA 2.250 54.279 52.037 -0.015 0.000 0.627 359 A CB -1.005 17.986 19.000 -0.016 0.000 0.818 359 A HN 1.078 nan 8.150 nan 0.000 0.445 360 A N -0.879 121.935 122.820 -0.009 0.000 2.015 360 A HA 0.097 4.416 4.320 -0.000 0.000 0.219 360 A C 2.179 179.759 177.584 -0.006 0.000 1.163 360 A CA 1.594 53.628 52.037 -0.005 0.000 0.646 360 A CB -0.655 18.346 19.000 0.002 0.000 0.806 360 A HN 0.369 nan 8.150 nan 0.000 0.448 361 V N -0.416 119.492 119.914 -0.010 0.000 2.379 361 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 361 V C 2.594 178.681 176.094 -0.013 0.000 1.044 361 V CA 2.133 64.425 62.300 -0.013 0.000 1.036 361 V CB -0.744 31.067 31.823 -0.020 0.000 0.664 361 V HN 0.507 nan 8.190 nan 0.000 0.453 362 R N 0.012 120.504 120.500 -0.012 0.000 2.080 362 R HA -0.231 4.109 4.340 -0.000 0.000 0.236 362 R C 2.459 178.754 176.300 -0.009 0.000 1.137 362 R CA 1.924 58.017 56.100 -0.011 0.000 0.943 362 R CB -0.534 29.760 30.300 -0.011 0.000 0.846 362 R HN 0.435 nan 8.270 nan 0.000 0.431 363 Q N 0.735 120.530 119.800 -0.008 0.000 2.181 363 Q HA -0.180 4.159 4.340 -0.000 0.000 0.205 363 Q C 1.866 177.863 176.000 -0.005 0.000 0.980 363 Q CA 1.770 57.569 55.803 -0.006 0.000 0.862 363 Q CB -0.173 28.562 28.738 -0.006 0.000 0.905 363 Q HN 0.235 nan 8.270 nan 0.000 0.429 364 R N -0.474 120.023 120.500 -0.005 0.000 2.148 364 R HA -0.024 4.315 4.340 -0.000 0.000 0.223 364 R C 2.267 178.564 176.300 -0.005 0.000 1.088 364 R CA 1.026 57.123 56.100 -0.004 0.000 0.985 364 R CB -0.139 30.158 30.300 -0.004 0.000 0.880 364 R HN 0.224 nan 8.270 nan 0.000 0.451 365 R N 0.213 120.709 120.500 -0.007 0.000 2.148 365 R HA -0.157 4.183 4.340 -0.000 0.000 0.227 365 R C 1.693 177.990 176.300 -0.006 0.000 1.103 365 R CA 1.671 57.766 56.100 -0.008 0.000 0.983 365 R CB 0.021 30.315 30.300 -0.009 0.000 0.874 365 R HN 0.147 nan 8.270 nan 0.000 0.451 366 E N 0.076 120.273 120.200 -0.005 0.000 2.008 366 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 366 E C 1.667 178.265 176.600 -0.003 0.000 0.986 366 E CA 1.500 57.897 56.400 -0.004 0.000 0.807 366 E CB -0.163 29.535 29.700 -0.004 0.000 0.766 366 E HN 0.104 nan 8.360 nan 0.000 0.450 367 V N 1.640 121.552 119.914 -0.003 0.000 3.244 367 V HA -0.217 3.902 4.120 -0.000 0.000 0.273 367 V C 1.147 177.240 176.094 -0.001 0.000 1.180 367 V CA 1.900 64.199 62.300 -0.002 0.000 1.182 367 V CB -0.952 30.871 31.823 -0.001 0.000 0.796 367 V HN 0.312 nan 8.190 nan 0.000 0.543 368 N N -0.901 117.798 118.700 -0.002 0.000 2.197 368 N HA 0.131 4.871 4.740 -0.000 0.000 0.201 368 N C 0.815 176.324 175.510 -0.002 0.000 1.148 368 N CA 0.139 53.188 53.050 -0.002 0.000 0.883 368 N CB 0.325 38.810 38.487 -0.003 0.000 1.012 368 N HN 0.538 nan 8.380 nan 0.000 0.507 369 K N 1.736 122.135 120.400 -0.002 0.000 2.336 369 K HA 0.574 4.894 4.320 -0.000 0.000 0.262 369 K C 0.254 176.853 176.600 -0.001 0.000 0.992 369 K CA 0.385 56.671 56.287 -0.002 0.000 0.927 369 K CB -0.030 32.469 32.500 -0.002 0.000 0.956 369 K HN 0.307 nan 8.250 nan 0.000 0.495 370 K N 0.000 120.399 120.400 -0.001 0.000 2.780 370 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 370 K CA 0.000 nan 56.287 nan 0.000 0.838 370 K CB 0.000 nan 32.500 nan 0.000 1.064 370 K HN 0.000 nan 8.250 nan 0.000 0.543