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 3g5f_1_A DATA FIRST_RESID 3 DATA SEQUENCE ATVLLEVPFS ARGDRIPDAV AELRTREPIR KVRTITGAEA WLVSSYALCT DATA SEQUENCE QVLEDRRFSM KETAAAGAPR LNALTVPPEV VNNMGNIADA GLRKAVMKAI DATA SEQUENCE TPKAPGLEQF LRDTANSLLD NLITEGAPAD LRNDFADPLA TALHCKVLGI DATA SEQUENCE PQEDGPKLFR SLSIAFMSSA DPIPAAKINW DRDIEYMAGI LENPNITTGL DATA SEQUENCE MGELSRLRKD PAYSHVSDEL FATIGVTFFG AGVISTGSFL TTALISLIQR DATA SEQUENCE PQLRNLLHEK PELIPAGVEE LLRINLSFAD GLPRLATADI QVGDVLVRKG DATA SEQUENCE ELVLVLLEGA NFDPEHFPNP GSIELDRPNP TSHLAFGRGQ HFCPGSALGR DATA SEQUENCE RHAQIGIEAL LKKMPGVDLA VPIDQLVWRT RFQRRIPERL PVLW 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.581 177.584 -0.004 0.000 1.274 3 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 3 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 4 T N -0.871 113.680 114.554 -0.005 0.000 2.907 4 T HA 0.803 5.133 4.350 -0.034 0.000 0.292 4 T C 0.297 174.994 174.700 -0.006 0.000 1.043 4 T CA -0.178 61.919 62.100 -0.005 0.000 1.003 4 T CB 1.045 69.909 68.868 -0.007 0.000 1.084 4 T HN 2.066 nan 8.240 nan 0.000 0.483 5 V N 0.950 120.860 119.914 -0.005 0.000 3.133 5 V HA 0.573 4.673 4.120 -0.034 0.000 0.305 5 V C 0.594 176.684 176.094 -0.006 0.000 1.084 5 V CA -1.192 61.103 62.300 -0.007 0.000 1.089 5 V CB 0.238 32.058 31.823 -0.006 0.000 1.073 5 V HN 0.962 nan 8.190 nan 0.000 0.477 6 L N 2.964 124.180 121.223 -0.012 0.000 2.559 6 L HA 0.176 4.496 4.340 -0.034 0.000 0.282 6 L C 0.164 177.036 176.870 0.002 0.000 1.232 6 L CA 0.208 55.039 54.840 -0.014 0.000 0.885 6 L CB -0.029 42.008 42.059 -0.036 0.000 1.131 6 L HN 0.867 nan 8.230 nan 0.000 0.498 7 L N 5.336 126.570 121.223 0.019 0.000 2.601 7 L HA 0.040 4.360 4.340 -0.034 0.000 0.277 7 L C 0.081 177.000 176.870 0.081 0.000 1.219 7 L CA 0.866 55.741 54.840 0.059 0.000 0.915 7 L CB -0.179 41.932 42.059 0.087 0.000 1.160 7 L HN 0.700 nan 8.230 nan 0.000 0.494 8 E N 4.230 124.491 120.200 0.103 0.000 2.231 8 E HA 0.527 4.857 4.350 -0.034 0.000 0.277 8 E C -0.805 175.868 176.600 0.122 0.000 0.999 8 E CA -0.782 55.667 56.400 0.081 0.000 0.827 8 E CB 1.808 31.540 29.700 0.053 0.000 1.101 8 E HN 0.564 nan 8.360 nan 0.000 0.393 9 V N -0.257 119.657 119.914 0.000 0.000 2.815 9 V HA 0.622 4.722 4.120 -0.034 0.000 0.314 9 V C -2.375 173.666 176.094 -0.088 0.000 1.064 9 V CA -2.320 59.901 62.300 -0.132 0.000 0.952 9 V CB 1.289 32.960 31.823 -0.254 0.000 1.020 9 V HN 0.570 nan 8.190 nan 0.000 0.439 10 P HA 0.394 nan 4.420 nan 0.000 0.276 10 P C 0.358 177.616 177.300 -0.071 0.000 1.252 10 P CA -0.304 62.668 63.100 -0.213 0.000 0.802 10 P CB 1.053 32.677 31.700 -0.126 0.000 1.035 11 F N -0.678 119.256 119.950 -0.026 0.000 2.187 11 F HA 0.000 4.508 4.527 -0.032 0.000 0.295 11 F C 1.594 177.368 175.800 -0.044 0.000 1.091 11 F CA 0.698 58.676 58.000 -0.036 0.000 1.308 11 F CB 0.101 39.072 39.000 -0.047 0.000 1.030 11 F HN 0.296 nan 8.300 nan 0.000 0.487 12 S N -1.223 114.551 115.700 0.123 0.000 2.543 12 S HA 0.589 5.038 4.470 -0.034 0.000 0.273 12 S C 0.023 174.604 174.600 -0.032 0.000 1.152 12 S CA -0.330 57.885 58.200 0.025 0.000 0.910 12 S CB 1.580 64.768 63.200 -0.019 0.000 1.105 12 S HN 0.137 nan 8.310 nan 0.000 0.465 13 A N 3.682 126.488 122.820 -0.024 0.000 2.206 13 A HA 0.265 4.565 4.320 -0.034 0.000 0.211 13 A C 0.948 178.426 177.584 -0.176 0.000 1.158 13 A CA 0.241 52.275 52.037 -0.006 0.000 0.761 13 A CB -0.239 18.823 19.000 0.104 0.000 0.801 13 A HN 0.750 nan 8.150 nan 0.000 0.473 14 R N -0.367 119.887 120.500 -0.410 0.000 2.449 14 R HA 0.237 4.557 4.340 -0.034 0.000 0.296 14 R C 1.029 176.692 176.300 -1.061 0.000 1.047 14 R CA 0.455 55.900 56.100 -1.092 0.000 1.018 14 R CB 0.472 30.327 30.300 -0.741 0.000 0.962 14 R HN 0.256 nan 8.270 nan 0.000 0.428 15 G N 1.701 109.380 108.800 -1.868 0.000 3.337 15 G HA2 -0.090 3.850 3.960 -0.034 0.000 0.246 15 G HA3 -0.090 3.850 3.960 -0.034 0.000 0.246 15 G C 0.396 175.022 174.900 -0.456 0.000 1.131 15 G CA -0.246 44.352 45.100 -0.837 0.000 0.773 15 G HN 0.704 nan 8.290 nan 0.000 0.544 16 D N -0.054 120.038 120.400 -0.513 0.000 2.398 16 D HA 0.060 4.680 4.640 -0.034 0.000 0.210 16 D C 0.878 177.127 176.300 -0.086 0.000 1.094 16 D CA -0.302 53.643 54.000 -0.092 0.000 0.839 16 D CB 0.354 41.221 40.800 0.113 0.000 0.963 16 D HN 0.509 nan 8.370 nan 0.000 0.506 17 R N -0.524 119.872 120.500 -0.172 0.000 2.594 17 R HA 0.512 4.832 4.340 -0.034 0.000 0.265 17 R C -1.545 174.646 176.300 -0.181 0.000 1.070 17 R CA -0.931 55.095 56.100 -0.124 0.000 0.909 17 R CB 0.919 31.161 30.300 -0.097 0.000 1.243 17 R HN -0.026 nan 8.270 nan 0.000 0.455 18 I N 3.158 123.599 120.570 -0.215 0.000 2.395 18 I HA 0.331 4.481 4.170 -0.034 0.000 0.289 18 I C -1.947 174.063 176.117 -0.179 0.000 1.023 18 I CA -2.205 58.918 61.300 -0.295 0.000 1.350 18 I CB 1.538 39.158 38.000 -0.634 0.000 1.409 18 I HN 0.590 nan 8.210 nan 0.000 0.507 19 P HA 0.107 nan 4.420 nan 0.000 0.268 19 P C -0.174 177.066 177.300 -0.100 0.000 1.205 19 P CA -0.151 62.894 63.100 -0.092 0.000 0.771 19 P CB 0.510 32.181 31.700 -0.050 0.000 0.858 20 D N 1.975 122.320 120.400 -0.092 0.000 2.221 20 D HA -0.170 4.449 4.640 -0.034 0.000 0.204 20 D C 1.855 178.098 176.300 -0.096 0.000 0.982 20 D CA 1.595 55.549 54.000 -0.077 0.000 0.857 20 D CB -0.419 40.343 40.800 -0.064 0.000 0.934 20 D HN 0.408 nan 8.370 nan 0.000 0.475 21 A N 0.558 123.282 122.820 -0.161 0.000 1.978 21 A HA -0.172 4.127 4.320 -0.034 0.000 0.220 21 A C 2.514 180.006 177.584 -0.153 0.000 1.170 21 A CA 1.205 53.096 52.037 -0.243 0.000 0.636 21 A CB -0.648 18.033 19.000 -0.533 0.000 0.810 21 A HN 0.173 nan 8.150 nan 0.000 0.448 22 V N -0.290 119.590 119.914 -0.058 0.000 2.295 22 V HA -0.266 3.834 4.120 -0.034 0.000 0.246 22 V C 3.042 179.162 176.094 0.044 0.000 1.049 22 V CA 2.042 64.379 62.300 0.062 0.000 1.024 22 V CB -1.272 30.586 31.823 0.058 0.000 0.648 22 V HN 0.619 nan 8.190 nan 0.000 0.447 23 A N -0.443 122.387 122.820 0.017 0.000 1.969 23 A HA -0.222 4.078 4.320 -0.034 0.000 0.218 23 A C 2.140 179.740 177.584 0.026 0.000 1.169 23 A CA 1.769 53.829 52.037 0.038 0.000 0.635 23 A CB -0.440 18.582 19.000 0.038 0.000 0.810 23 A HN 0.645 nan 8.150 nan 0.000 0.445 24 E N -0.527 119.670 120.200 -0.004 0.000 2.031 24 E HA -0.194 4.136 4.350 -0.034 0.000 0.193 24 E C 1.852 178.456 176.600 0.006 0.000 0.994 24 E CA 1.287 57.681 56.400 -0.011 0.000 0.800 24 E CB -0.280 29.392 29.700 -0.046 0.000 0.752 24 E HN 0.441 nan 8.360 nan 0.000 0.447 25 L N 0.874 122.105 121.223 0.012 0.000 2.017 25 L HA -0.178 4.142 4.340 -0.034 0.000 0.208 25 L C 2.481 179.389 176.870 0.064 0.000 1.073 25 L CA 1.611 56.480 54.840 0.049 0.000 0.745 25 L CB -0.402 41.717 42.059 0.099 0.000 0.894 25 L HN 0.019 nan 8.230 nan 0.000 0.432 26 R N -1.279 119.263 120.500 0.070 0.000 2.081 26 R HA -0.163 4.157 4.340 -0.034 0.000 0.235 26 R C 2.039 178.375 176.300 0.060 0.000 1.131 26 R CA 1.964 58.109 56.100 0.076 0.000 0.960 26 R CB -0.257 30.098 30.300 0.092 0.000 0.856 26 R HN 0.333 nan 8.270 nan 0.000 0.436 27 T N 0.152 114.737 114.554 0.050 0.000 2.812 27 T HA -0.035 4.294 4.350 -0.034 0.000 0.264 27 T C 1.767 176.487 174.700 0.035 0.000 1.042 27 T CA 1.220 63.345 62.100 0.041 0.000 1.140 27 T CB -0.025 68.863 68.868 0.033 0.000 0.870 27 T HN 0.354 nan 8.240 nan 0.000 0.445 28 R N 1.079 121.599 120.500 0.033 0.000 2.128 28 R HA 0.118 4.438 4.340 -0.034 0.000 0.211 28 R C 0.548 176.871 176.300 0.038 0.000 1.067 28 R CA 0.755 56.873 56.100 0.030 0.000 1.010 28 R CB 0.353 30.667 30.300 0.023 0.000 0.922 28 R HN 0.519 nan 8.270 nan 0.000 0.457 29 E N 0.051 120.280 120.200 0.049 0.000 3.079 29 E HA 0.144 4.474 4.350 -0.034 0.000 0.329 29 E C -2.511 174.133 176.600 0.073 0.000 1.166 29 E CA -1.321 55.116 56.400 0.062 0.000 0.876 29 E CB 1.329 31.075 29.700 0.077 0.000 1.479 29 E HN -0.042 nan 8.360 nan 0.000 0.384 30 P HA -0.004 nan 4.420 nan 0.000 0.234 30 P C 0.413 177.745 177.300 0.054 0.000 1.167 30 P CA 0.587 63.722 63.100 0.057 0.000 0.763 30 P CB 0.518 32.244 31.700 0.043 0.000 0.835 31 I N 0.269 120.873 120.570 0.057 0.000 2.478 31 I HA 0.477 4.627 4.170 -0.034 0.000 0.287 31 I C -1.014 175.224 176.117 0.202 0.000 1.042 31 I CA -1.254 60.099 61.300 0.088 0.000 1.067 31 I CB 1.340 39.321 38.000 -0.032 0.000 1.233 31 I HN -0.193 nan 8.210 nan 0.000 0.431 32 R N 4.725 125.420 120.500 0.326 0.000 2.739 32 R HA 0.579 4.899 4.340 -0.034 0.000 0.271 32 R C -1.661 174.833 176.300 0.323 0.000 1.010 32 R CA -1.101 55.225 56.100 0.377 0.000 0.897 32 R CB 0.913 31.336 30.300 0.206 0.000 1.236 32 R HN 0.330 nan 8.270 nan 0.000 0.466 33 K N 0.930 121.395 120.400 0.108 0.000 2.298 33 K HA 0.461 4.761 4.320 -0.034 0.000 0.280 33 K C -0.530 175.992 176.600 -0.130 0.000 1.032 33 K CA -0.107 55.996 56.287 -0.307 0.000 0.958 33 K CB 1.177 33.377 32.500 -0.500 0.000 0.978 33 K HN 0.614 nan 8.250 nan 0.000 0.472 34 V N 0.431 120.248 119.914 -0.161 0.000 3.160 34 V HA 0.654 4.754 4.120 -0.034 0.000 0.310 34 V C -1.100 174.930 176.094 -0.107 0.000 1.181 34 V CA -1.199 61.058 62.300 -0.071 0.000 1.047 34 V CB 1.910 33.724 31.823 -0.014 0.000 1.068 34 V HN 0.773 nan 8.190 nan 0.000 0.441 35 R N 1.086 121.550 120.500 -0.061 0.000 2.445 35 R HA 0.673 4.993 4.340 -0.034 0.000 0.308 35 R C 0.101 176.370 176.300 -0.052 0.000 0.961 35 R CA 0.235 56.296 56.100 -0.064 0.000 0.862 35 R CB 1.775 32.047 30.300 -0.046 0.000 1.144 35 R HN 1.183 nan 8.270 nan 0.000 0.447 36 T N 1.010 115.528 114.554 -0.060 0.000 2.824 36 T HA 0.178 4.508 4.350 -0.034 0.000 0.277 36 T C 1.795 176.472 174.700 -0.039 0.000 0.975 36 T CA -0.663 61.406 62.100 -0.053 0.000 0.966 36 T CB 0.580 69.414 68.868 -0.057 0.000 1.054 36 T HN 0.686 nan 8.240 nan 0.000 0.533 37 I N -1.090 119.460 120.570 -0.035 0.000 2.700 37 I HA -0.037 4.113 4.170 -0.034 0.000 0.261 37 I C 2.096 178.198 176.117 -0.025 0.000 1.219 37 I CA 1.519 62.805 61.300 -0.024 0.000 1.463 37 I CB -1.147 36.842 38.000 -0.019 0.000 1.092 37 I HN 0.821 nan 8.210 nan 0.000 0.452 38 T N -2.183 112.352 114.554 -0.032 0.000 3.113 38 T HA 0.373 4.703 4.350 -0.034 0.000 0.256 38 T C 1.625 176.307 174.700 -0.031 0.000 1.131 38 T CA 0.557 62.638 62.100 -0.031 0.000 1.074 38 T CB 0.149 68.995 68.868 -0.036 0.000 0.944 38 T HN 0.743 nan 8.240 nan 0.000 0.516 39 G N 1.043 109.823 108.800 -0.033 0.000 2.194 39 G HA2 -0.045 3.895 3.960 -0.034 0.000 0.236 39 G HA3 -0.045 3.895 3.960 -0.034 0.000 0.236 39 G C 0.363 175.236 174.900 -0.045 0.000 0.987 39 G CA -0.111 44.968 45.100 -0.035 0.000 0.635 39 G HN 1.175 nan 8.290 nan 0.000 0.520 40 A N 0.258 123.048 122.820 -0.050 0.000 2.425 40 A HA 0.584 4.884 4.320 -0.034 0.000 0.242 40 A C 0.487 178.019 177.584 -0.087 0.000 1.077 40 A CA 0.375 52.375 52.037 -0.062 0.000 0.781 40 A CB 0.280 19.247 19.000 -0.055 0.000 1.020 40 A HN 0.495 nan 8.150 nan 0.000 0.494 41 E N -0.297 119.834 120.200 -0.115 0.000 2.319 41 E HA 0.560 4.889 4.350 -0.034 0.000 0.268 41 E C -0.124 176.345 176.600 -0.219 0.000 1.050 41 E CA -0.063 56.226 56.400 -0.186 0.000 0.878 41 E CB 1.554 31.113 29.700 -0.235 0.000 1.066 41 E HN 0.825 nan 8.360 nan 0.000 0.406 42 A N 1.999 124.643 122.820 -0.293 0.000 2.609 42 A HA 0.478 4.778 4.320 -0.034 0.000 0.291 42 A C -2.074 175.287 177.584 -0.371 0.000 1.096 42 A CA -0.810 51.072 52.037 -0.258 0.000 0.684 42 A CB 0.754 19.691 19.000 -0.106 0.000 1.282 42 A HN 0.611 nan 8.150 nan 0.000 0.412 43 W N 0.733 122.029 121.300 -0.007 0.000 2.335 43 W HA 0.553 5.207 4.660 -0.009 0.000 0.307 43 W C -0.218 176.280 176.519 -0.036 0.000 1.117 43 W CA -0.215 57.121 57.345 -0.014 0.000 1.228 43 W CB 1.486 30.938 29.460 -0.014 0.000 1.240 43 W HN 0.523 nan 8.180 nan 0.000 0.468 44 L N 5.614 126.956 121.223 0.198 0.000 2.265 44 L HA 0.531 4.851 4.340 -0.034 0.000 0.288 44 L C -0.566 176.368 176.870 0.107 0.000 1.058 44 L CA -0.471 54.428 54.840 0.098 0.000 0.809 44 L CB 0.669 42.766 42.059 0.063 0.000 1.179 44 L HN 0.176 nan 8.230 nan 0.000 0.429 45 V N 4.606 124.546 119.914 0.043 0.000 2.398 45 V HA 0.456 4.556 4.120 -0.034 0.000 0.286 45 V C 0.567 176.670 176.094 0.014 0.000 1.026 45 V CA 0.279 62.585 62.300 0.011 0.000 0.868 45 V CB 1.268 33.053 31.823 -0.062 0.000 0.982 45 V HN 0.940 nan 8.190 nan 0.000 0.443 46 S N 1.034 116.758 115.700 0.040 0.000 2.787 46 S HA 0.174 4.624 4.470 -0.034 0.000 0.255 46 S C 0.517 175.166 174.600 0.082 0.000 1.051 46 S CA 0.086 58.326 58.200 0.066 0.000 1.124 46 S CB 0.371 63.631 63.200 0.099 0.000 1.104 46 S HN 0.790 nan 8.310 nan 0.000 0.623 47 S N 0.326 116.063 115.700 0.061 0.000 2.608 47 S HA 0.556 5.006 4.470 -0.034 0.000 0.291 47 S C 0.517 175.167 174.600 0.084 0.000 1.146 47 S CA -0.684 57.571 58.200 0.091 0.000 1.043 47 S CB 0.854 64.099 63.200 0.074 0.000 1.037 47 S HN 0.222 nan 8.310 nan 0.000 0.520 48 Y N 2.322 122.623 120.300 0.001 0.000 2.128 48 Y HA -0.122 4.409 4.550 -0.032 0.000 0.284 48 Y C 2.537 178.382 175.900 -0.091 0.000 1.154 48 Y CA 2.390 60.449 58.100 -0.068 0.000 1.149 48 Y CB -0.929 37.438 38.460 -0.155 0.000 0.976 48 Y HN 0.890 nan 8.280 nan 0.000 0.505 49 A N 0.094 122.986 122.820 0.119 0.000 1.883 49 A HA -0.173 4.127 4.320 -0.034 0.000 0.217 49 A C 2.247 179.799 177.584 -0.054 0.000 1.186 49 A CA 2.004 54.068 52.037 0.045 0.000 0.624 49 A CB -1.096 17.945 19.000 0.069 0.000 0.822 49 A HN 0.552 nan 8.150 nan 0.000 0.444 50 L N -1.161 120.032 121.223 -0.050 0.000 2.179 50 L HA -0.147 4.173 4.340 -0.034 0.000 0.208 50 L C 2.639 179.426 176.870 -0.138 0.000 1.096 50 L CA 0.667 55.457 54.840 -0.083 0.000 0.779 50 L CB -0.672 41.348 42.059 -0.065 0.000 0.922 50 L HN 0.465 nan 8.230 nan 0.000 0.443 51 C N 0.045 119.253 119.300 -0.153 0.000 2.432 51 C HA -0.172 4.268 4.460 -0.034 0.000 0.277 51 C C 3.130 177.983 174.990 -0.227 0.000 1.249 51 C CA 1.671 60.576 59.018 -0.189 0.000 1.725 51 C CB -0.961 26.669 27.740 -0.184 0.000 2.028 51 C HN 0.665 nan 8.230 nan 0.000 0.477 52 T N -0.793 113.575 114.554 -0.309 0.000 2.821 52 T HA -0.274 4.056 4.350 -0.034 0.000 0.267 52 T C 1.783 176.401 174.700 -0.138 0.000 1.046 52 T CA 1.753 63.690 62.100 -0.272 0.000 1.139 52 T CB -0.573 68.072 68.868 -0.372 0.000 0.871 52 T HN 0.702 nan 8.240 nan 0.000 0.454 53 Q N 0.632 120.366 119.800 -0.111 0.000 2.061 53 Q HA -0.123 4.197 4.340 -0.034 0.000 0.204 53 Q C 2.400 178.388 176.000 -0.019 0.000 0.984 53 Q CA 1.943 57.721 55.803 -0.042 0.000 0.846 53 Q CB -0.342 28.378 28.738 -0.030 0.000 0.902 53 Q HN 0.517 nan 8.270 nan 0.000 0.421 54 V N 1.110 120.939 119.914 -0.142 0.000 2.295 54 V HA -0.269 3.831 4.120 -0.034 0.000 0.246 54 V C 2.356 178.425 176.094 -0.041 0.000 1.049 54 V CA 1.530 63.667 62.300 -0.270 0.000 1.024 54 V CB -0.482 31.003 31.823 -0.565 0.000 0.648 54 V HN 0.400 nan 8.190 nan 0.000 0.447 55 L N -0.370 120.820 121.223 -0.056 0.000 2.275 55 L HA -0.123 4.197 4.340 -0.034 0.000 0.215 55 L C 2.193 179.095 176.870 0.053 0.000 1.119 55 L CA 1.318 56.164 54.840 0.010 0.000 0.790 55 L CB -0.435 41.612 42.059 -0.021 0.000 0.919 55 L HN 0.414 nan 8.230 nan 0.000 0.443 56 E N -1.029 119.193 120.200 0.038 0.000 2.479 56 E HA -0.039 4.291 4.350 -0.034 0.000 0.193 56 E C -0.043 176.599 176.600 0.071 0.000 1.049 56 E CA -0.091 56.333 56.400 0.039 0.000 0.870 56 E CB 0.310 30.014 29.700 0.008 0.000 0.944 56 E HN 0.161 nan 8.360 nan 0.000 0.492 57 D N 0.472 120.957 120.400 0.142 0.000 2.453 57 D HA 0.132 4.752 4.640 -0.034 0.000 0.238 57 D C 0.518 176.914 176.300 0.159 0.000 1.088 57 D CA -0.363 53.728 54.000 0.153 0.000 0.854 57 D CB 0.620 41.564 40.800 0.240 0.000 1.076 57 D HN -0.137 nan 8.370 nan 0.000 0.533 58 R N 2.129 122.676 120.500 0.077 0.000 2.285 58 R HA 0.012 4.332 4.340 -0.034 0.000 0.213 58 R C 1.602 177.923 176.300 0.036 0.000 1.068 58 R CA 0.595 56.741 56.100 0.076 0.000 1.004 58 R CB 0.301 30.625 30.300 0.040 0.000 0.873 58 R HN 0.342 nan 8.270 nan 0.000 0.467 59 R N -0.194 120.272 120.500 -0.057 0.000 2.241 59 R HA -0.060 4.260 4.340 -0.034 0.000 0.224 59 R C -0.084 176.064 176.300 -0.255 0.000 1.101 59 R CA 0.631 56.625 56.100 -0.177 0.000 0.995 59 R CB -0.024 30.109 30.300 -0.278 0.000 0.870 59 R HN 0.019 nan 8.270 nan 0.000 0.463 60 F N 0.916 120.881 119.950 0.025 0.000 2.423 60 F HA 0.140 4.644 4.527 -0.039 0.000 0.356 60 F C 0.589 176.417 175.800 0.047 0.000 1.170 60 F CA -0.380 57.639 58.000 0.032 0.000 1.163 60 F CB 0.923 39.938 39.000 0.026 0.000 1.318 60 F HN -0.208 nan 8.300 nan 0.000 0.569 61 S N 4.829 120.634 115.700 0.173 0.000 2.480 61 S HA 0.258 4.708 4.470 -0.034 0.000 0.286 61 S C 1.189 175.846 174.600 0.094 0.000 1.180 61 S CA -0.775 57.502 58.200 0.127 0.000 1.075 61 S CB 0.770 64.015 63.200 0.075 0.000 0.996 61 S HN 0.836 nan 8.310 nan 0.000 0.487 62 M N 5.168 124.806 119.600 0.063 0.000 2.099 62 M HA -0.018 4.442 4.480 -0.034 0.000 0.262 62 M C 2.123 178.395 176.300 -0.046 0.000 1.067 62 M CA 1.685 56.937 55.300 -0.079 0.000 1.124 62 M CB -0.404 31.941 32.600 -0.425 0.000 1.353 62 M HN 0.825 nan 8.290 nan 0.000 0.410 63 K N 0.080 120.483 120.400 0.004 0.000 2.074 63 K HA -0.209 4.091 4.320 -0.034 0.000 0.209 63 K C 1.496 178.098 176.600 0.003 0.000 1.048 63 K CA 1.843 58.137 56.287 0.011 0.000 0.926 63 K CB -0.119 32.410 32.500 0.048 0.000 0.713 63 K HN 0.369 nan 8.250 nan 0.000 0.444 64 E N 0.161 120.371 120.200 0.017 0.000 2.418 64 E HA -0.086 4.244 4.350 -0.034 0.000 0.197 64 E C 1.821 178.425 176.600 0.006 0.000 1.026 64 E CA 1.315 57.723 56.400 0.013 0.000 0.862 64 E CB -0.156 29.557 29.700 0.022 0.000 0.799 64 E HN 0.598 nan 8.360 nan 0.000 0.518 65 T N -1.518 113.036 114.554 -0.000 0.000 2.897 65 T HA -0.046 4.284 4.350 -0.034 0.000 0.271 65 T C 1.793 176.477 174.700 -0.027 0.000 1.084 65 T CA 1.115 63.209 62.100 -0.010 0.000 1.123 65 T CB -0.061 68.795 68.868 -0.021 0.000 0.865 65 T HN 0.105 nan 8.240 nan 0.000 0.496 66 A N 0.941 123.742 122.820 -0.032 0.000 2.251 66 A HA 0.723 5.022 4.320 -0.034 0.000 0.209 66 A C 1.442 179.005 177.584 -0.034 0.000 1.187 66 A CA 0.172 52.183 52.037 -0.044 0.000 0.823 66 A CB -0.713 18.256 19.000 -0.051 0.000 0.846 66 A HN 0.791 nan 8.150 nan 0.000 0.486 67 A N 0.432 123.240 122.820 -0.021 0.000 2.511 67 A HA 0.515 4.815 4.320 -0.034 0.000 0.242 67 A C 0.873 178.446 177.584 -0.019 0.000 1.069 67 A CA 0.203 52.230 52.037 -0.016 0.000 0.763 67 A CB -0.281 18.715 19.000 -0.007 0.000 1.001 67 A HN 1.376 nan 8.150 nan 0.000 0.498 68 A N 1.673 124.481 122.820 -0.019 0.000 2.540 68 A HA 0.477 4.777 4.320 -0.034 0.000 0.239 68 A C 1.665 179.240 177.584 -0.015 0.000 1.061 68 A CA 0.804 52.829 52.037 -0.020 0.000 0.758 68 A CB -0.685 18.304 19.000 -0.018 0.000 0.991 68 A HN 2.770 nan 8.150 nan 0.000 0.502 69 G N 0.652 109.442 108.800 -0.017 0.000 2.176 69 G HA2 0.129 4.069 3.960 -0.034 0.000 0.253 69 G HA3 0.129 4.069 3.960 -0.034 0.000 0.253 69 G C 0.631 175.524 174.900 -0.011 0.000 0.979 69 G CA 0.530 45.622 45.100 -0.013 0.000 0.641 69 G HN 2.213 nan 8.290 nan 0.000 0.530 70 A N 1.261 124.074 122.820 -0.012 0.000 2.386 70 A HA 0.644 4.944 4.320 -0.034 0.000 0.248 70 A C -0.999 176.578 177.584 -0.013 0.000 1.082 70 A CA -0.352 51.681 52.037 -0.007 0.000 0.789 70 A CB 0.144 19.141 19.000 -0.004 0.000 1.025 70 A HN 0.346 nan 8.150 nan 0.000 0.490 71 P HA 0.181 nan 4.420 nan 0.000 0.267 71 P C -0.800 176.486 177.300 -0.023 0.000 1.205 71 P CA 0.304 63.391 63.100 -0.021 0.000 0.765 71 P CB 0.467 32.153 31.700 -0.023 0.000 0.828 72 R N 2.143 122.624 120.500 -0.033 0.000 2.562 72 R HA 0.258 4.578 4.340 -0.034 0.000 0.298 72 R C 1.064 177.338 176.300 -0.042 0.000 0.961 72 R CA -0.966 55.112 56.100 -0.037 0.000 0.881 72 R CB 1.720 31.994 30.300 -0.042 0.000 1.159 72 R HN 0.317 nan 8.270 nan 0.000 0.450 73 L N 2.708 123.906 121.223 -0.043 0.000 2.027 73 L HA -0.061 4.258 4.340 -0.034 0.000 0.206 73 L C 0.249 177.089 176.870 -0.050 0.000 1.074 73 L CA 1.842 56.654 54.840 -0.047 0.000 0.745 73 L CB -0.259 41.773 42.059 -0.045 0.000 0.898 73 L HN 0.839 nan 8.230 nan 0.000 0.433 74 N N -2.377 116.289 118.700 -0.056 0.000 3.020 74 N HA 0.461 5.181 4.740 -0.034 0.000 0.248 74 N C -1.136 174.332 175.510 -0.069 0.000 1.480 74 N CA -0.453 52.561 53.050 -0.060 0.000 0.874 74 N CB 1.050 39.497 38.487 -0.066 0.000 1.433 74 N HN 0.088 nan 8.380 nan 0.000 0.530 75 A N 0.777 123.554 122.820 -0.072 0.000 2.371 75 A HA 0.407 4.706 4.320 -0.034 0.000 0.257 75 A C 0.445 177.962 177.584 -0.112 0.000 1.089 75 A CA -0.514 51.474 52.037 -0.081 0.000 0.794 75 A CB -0.059 18.898 19.000 -0.072 0.000 1.029 75 A HN 0.550 nan 8.150 nan 0.000 0.488 76 L N 1.486 122.636 121.223 -0.122 0.000 2.485 76 L HA 0.125 4.445 4.340 -0.034 0.000 0.275 76 L C 1.518 178.270 176.870 -0.197 0.000 1.207 76 L CA 0.607 55.347 54.840 -0.167 0.000 0.855 76 L CB 0.512 42.471 42.059 -0.167 0.000 1.114 76 L HN 0.958 nan 8.230 nan 0.000 0.485 77 T N -1.199 113.199 114.554 -0.259 0.000 3.084 77 T HA 0.341 4.671 4.350 -0.034 0.000 0.270 77 T C -0.019 174.423 174.700 -0.429 0.000 1.008 77 T CA -0.170 61.760 62.100 -0.283 0.000 0.900 77 T CB -0.055 68.648 68.868 -0.275 0.000 1.084 77 T HN 0.366 nan 8.240 nan 0.000 0.538 78 V N -2.763 116.841 119.914 -0.518 0.000 3.102 78 V HA 0.812 4.912 4.120 -0.034 0.000 0.312 78 V C -3.182 172.556 176.094 -0.593 0.000 1.135 78 V CA -3.222 58.568 62.300 -0.851 0.000 1.022 78 V CB 1.291 32.603 31.823 -0.852 0.000 1.056 78 V HN -0.157 nan 8.190 nan 0.000 0.436 79 P HA 0.242 nan 4.420 nan 0.000 0.267 79 P C -2.112 175.062 177.300 -0.210 0.000 1.200 79 P CA -1.047 61.872 63.100 -0.301 0.000 0.772 79 P CB 0.072 31.663 31.700 -0.182 0.000 0.855 80 P HA -0.209 nan 4.420 nan 0.000 0.218 80 P C 1.180 178.438 177.300 -0.070 0.000 1.148 80 P CA 1.497 64.536 63.100 -0.101 0.000 0.822 80 P CB -0.092 31.566 31.700 -0.071 0.000 0.784 81 E N 0.375 120.546 120.200 -0.048 0.000 2.268 81 E HA -0.079 4.250 4.350 -0.034 0.000 0.195 81 E C 1.736 178.333 176.600 -0.005 0.000 0.995 81 E CA 0.985 57.377 56.400 -0.014 0.000 0.836 81 E CB -1.351 28.355 29.700 0.009 0.000 0.763 81 E HN 0.123 nan 8.360 nan 0.000 0.491 82 V N 1.513 121.407 119.914 -0.033 0.000 3.217 82 V HA -0.130 3.970 4.120 -0.034 0.000 0.264 82 V C 2.512 178.586 176.094 -0.033 0.000 1.135 82 V CA 0.811 63.104 62.300 -0.012 0.000 1.142 82 V CB -0.068 31.720 31.823 -0.058 0.000 0.754 82 V HN 0.097 nan 8.190 nan 0.000 0.484 83 V N 0.716 120.591 119.914 -0.065 0.000 2.392 83 V HA -0.211 3.889 4.120 -0.034 0.000 0.249 83 V C 1.882 177.959 176.094 -0.030 0.000 1.059 83 V CA 2.140 64.401 62.300 -0.064 0.000 1.051 83 V CB -0.738 31.038 31.823 -0.078 0.000 0.658 83 V HN 0.660 nan 8.190 nan 0.000 0.455 84 N N 0.426 119.129 118.700 0.005 0.000 2.389 84 N HA 0.007 4.726 4.740 -0.034 0.000 0.237 84 N C 1.193 176.753 175.510 0.084 0.000 1.148 84 N CA 0.069 53.148 53.050 0.047 0.000 0.854 84 N CB -0.586 37.931 38.487 0.049 0.000 1.115 84 N HN 0.373 nan 8.380 nan 0.000 0.492 85 N N 0.490 119.243 118.700 0.088 0.000 2.037 85 N HA -0.185 4.535 4.740 -0.034 0.000 0.196 85 N C 1.442 177.054 175.510 0.169 0.000 1.034 85 N CA 1.575 54.707 53.050 0.136 0.000 0.861 85 N CB 0.019 38.602 38.487 0.161 0.000 1.039 85 N HN 0.228 nan 8.380 nan 0.000 0.427 86 M N -0.226 119.490 119.600 0.193 0.000 2.117 86 M HA 0.008 4.468 4.480 -0.034 0.000 0.262 86 M C 2.223 178.619 176.300 0.159 0.000 1.065 86 M CA 1.460 56.888 55.300 0.213 0.000 1.114 86 M CB -1.739 31.012 32.600 0.251 0.000 1.361 86 M HN 0.334 nan 8.290 nan 0.000 0.408 87 G N 0.845 109.739 108.800 0.155 0.000 2.469 87 G HA2 -0.264 3.676 3.960 -0.034 0.000 0.219 87 G HA3 -0.264 3.676 3.960 -0.034 0.000 0.219 87 G C 1.406 176.353 174.900 0.079 0.000 1.150 87 G CA 1.014 46.180 45.100 0.109 0.000 0.763 87 G HN 0.428 nan 8.290 nan 0.000 0.561 88 N N 0.767 119.514 118.700 0.078 0.000 2.142 88 N HA -0.047 4.673 4.740 -0.034 0.000 0.186 88 N C 2.258 177.790 175.510 0.036 0.000 1.023 88 N CA 0.879 53.959 53.050 0.050 0.000 0.852 88 N CB -0.308 38.208 38.487 0.048 0.000 0.998 88 N HN 0.367 nan 8.380 nan 0.000 0.424 89 I N 1.308 121.913 120.570 0.058 0.000 2.163 89 I HA -0.260 3.890 4.170 -0.034 0.000 0.243 89 I C 2.363 178.508 176.117 0.046 0.000 1.085 89 I CA 1.216 62.540 61.300 0.040 0.000 1.347 89 I CB -0.355 37.694 38.000 0.081 0.000 1.044 89 I HN 0.073 nan 8.210 nan 0.000 0.408 90 A N 0.390 123.249 122.820 0.064 0.000 1.902 90 A HA -0.226 4.074 4.320 -0.034 0.000 0.217 90 A C 1.918 179.531 177.584 0.048 0.000 1.181 90 A CA 1.997 54.068 52.037 0.058 0.000 0.623 90 A CB -0.566 18.467 19.000 0.056 0.000 0.818 90 A HN 0.348 nan 8.150 nan 0.000 0.443 91 D N 0.065 120.489 120.400 0.040 0.000 2.218 91 D HA -0.001 4.619 4.640 -0.034 0.000 0.204 91 D C 1.885 178.204 176.300 0.031 0.000 0.976 91 D CA 1.323 55.341 54.000 0.030 0.000 0.853 91 D CB -0.263 40.552 40.800 0.026 0.000 0.939 91 D HN 0.445 nan 8.370 nan 0.000 0.481 92 A N -0.264 122.576 122.820 0.033 0.000 2.238 92 A HA 0.386 4.686 4.320 -0.034 0.000 0.208 92 A C 1.737 179.399 177.584 0.130 0.000 1.177 92 A CA 0.969 53.035 52.037 0.048 0.000 0.804 92 A CB -0.270 18.715 19.000 -0.025 0.000 0.823 92 A HN 0.226 nan 8.150 nan 0.000 0.482 93 G N -1.139 107.729 108.800 0.113 0.000 2.160 93 G HA2 -0.236 3.703 3.960 -0.034 0.000 0.251 93 G HA3 -0.236 3.703 3.960 -0.034 0.000 0.251 93 G C 0.497 175.539 174.900 0.236 0.000 1.008 93 G CA 0.526 45.724 45.100 0.163 0.000 0.724 93 G HN 0.525 nan 8.290 nan 0.000 0.514 94 L N -0.939 120.366 121.223 0.137 0.000 2.693 94 L HA 0.313 4.633 4.340 -0.034 0.000 0.235 94 L C 2.544 179.433 176.870 0.032 0.000 1.127 94 L CA 0.298 55.178 54.840 0.067 0.000 0.914 94 L CB -0.031 42.024 42.059 -0.006 0.000 1.193 94 L HN 0.302 nan 8.230 nan 0.000 0.502 95 R N 1.085 121.617 120.500 0.053 0.000 2.073 95 R HA -0.180 4.140 4.340 -0.034 0.000 0.234 95 R C 2.145 178.470 176.300 0.042 0.000 1.134 95 R CA 1.612 57.743 56.100 0.052 0.000 0.952 95 R CB 0.073 30.413 30.300 0.066 0.000 0.850 95 R HN 0.194 nan 8.270 nan 0.000 0.433 96 K N -0.375 120.052 120.400 0.045 0.000 2.057 96 K HA -0.114 4.186 4.320 -0.034 0.000 0.207 96 K C 2.040 178.651 176.600 0.019 0.000 1.049 96 K CA 1.397 57.706 56.287 0.037 0.000 0.931 96 K CB -0.118 32.408 32.500 0.042 0.000 0.714 96 K HN 0.262 nan 8.250 nan 0.000 0.440 97 A N 0.664 123.488 122.820 0.007 0.000 1.898 97 A HA -0.113 4.187 4.320 -0.034 0.000 0.216 97 A C 2.279 179.836 177.584 -0.046 0.000 1.181 97 A CA 1.341 53.364 52.037 -0.023 0.000 0.620 97 A CB -0.529 18.441 19.000 -0.051 0.000 0.819 97 A HN 0.092 nan 8.150 nan 0.000 0.442 98 V N -0.037 119.839 119.914 -0.064 0.000 2.358 98 V HA -0.262 3.837 4.120 -0.034 0.000 0.246 98 V C 2.695 178.753 176.094 -0.061 0.000 1.047 98 V CA 1.906 64.124 62.300 -0.137 0.000 1.035 98 V CB -0.630 31.043 31.823 -0.251 0.000 0.658 98 V HN 0.486 nan 8.190 nan 0.000 0.452 99 M N -0.049 119.557 119.600 0.010 0.000 2.065 99 M HA -0.216 4.244 4.480 -0.034 0.000 0.259 99 M C 2.232 178.553 176.300 0.036 0.000 1.069 99 M CA 1.962 57.296 55.300 0.057 0.000 1.110 99 M CB -1.215 31.423 32.600 0.063 0.000 1.328 99 M HN 0.321 nan 8.290 nan 0.000 0.405 100 K N 0.096 120.505 120.400 0.016 0.000 2.097 100 K HA -0.087 4.213 4.320 -0.034 0.000 0.206 100 K C 1.815 178.416 176.600 0.002 0.000 1.049 100 K CA 1.497 57.790 56.287 0.010 0.000 0.933 100 K CB -0.047 32.455 32.500 0.004 0.000 0.717 100 K HN 0.259 nan 8.250 nan 0.000 0.442 101 A N 1.139 123.952 122.820 -0.012 0.000 2.119 101 A HA 0.003 4.303 4.320 -0.034 0.000 0.217 101 A C 1.764 179.348 177.584 0.001 0.000 1.153 101 A CA 1.051 53.078 52.037 -0.018 0.000 0.692 101 A CB -0.525 18.450 19.000 -0.042 0.000 0.799 101 A HN 0.568 nan 8.150 nan 0.000 0.458 102 I N -2.198 118.388 120.570 0.027 0.000 3.927 102 I HA 0.206 4.356 4.170 -0.034 0.000 0.332 102 I C 0.518 176.660 176.117 0.042 0.000 1.485 102 I CA 0.003 61.337 61.300 0.056 0.000 1.131 102 I CB -0.254 37.837 38.000 0.151 0.000 1.092 102 I HN 0.090 nan 8.210 nan 0.000 0.410 103 T N -0.643 113.928 114.554 0.027 0.000 2.868 103 T HA 0.348 4.678 4.350 -0.034 0.000 0.292 103 T C -1.432 173.278 174.700 0.016 0.000 1.028 103 T CA -1.380 60.734 62.100 0.022 0.000 1.059 103 T CB 0.800 69.680 68.868 0.020 0.000 0.991 103 T HN 0.092 nan 8.240 nan 0.000 0.531 104 P HA 0.190 nan 4.420 nan 0.000 0.255 104 P C 0.571 177.888 177.300 0.028 0.000 1.301 104 P CA 0.035 63.152 63.100 0.029 0.000 0.817 104 P CB 0.173 31.899 31.700 0.044 0.000 1.259 105 K N -0.118 120.294 120.400 0.021 0.000 2.404 105 K HA 0.237 4.537 4.320 -0.034 0.000 0.194 105 K C 1.030 177.639 176.600 0.014 0.000 1.023 105 K CA -0.321 55.978 56.287 0.020 0.000 1.094 105 K CB -0.181 32.330 32.500 0.018 0.000 0.841 105 K HN 0.074 nan 8.250 nan 0.000 0.523 106 A N 3.208 126.033 122.820 0.008 0.000 2.540 106 A HA 0.168 4.468 4.320 -0.034 0.000 0.239 106 A C -2.151 175.437 177.584 0.008 0.000 1.061 106 A CA -0.747 51.290 52.037 0.001 0.000 0.758 106 A CB -0.480 18.512 19.000 -0.014 0.000 0.991 106 A HN -0.023 nan 8.150 nan 0.000 0.502 107 P HA 0.241 nan 4.420 nan 0.000 0.261 107 P C 1.095 178.406 177.300 0.017 0.000 1.183 107 P CA 1.822 64.929 63.100 0.013 0.000 0.761 107 P CB 0.543 32.247 31.700 0.007 0.000 0.785 108 G N 2.168 110.989 108.800 0.035 0.000 2.225 108 G HA2 -0.334 3.606 3.960 -0.034 0.000 0.254 108 G HA3 -0.334 3.606 3.960 -0.034 0.000 0.254 108 G C 0.705 175.662 174.900 0.095 0.000 0.988 108 G CA 0.314 45.449 45.100 0.058 0.000 0.625 108 G HN 0.548 nan 8.290 nan 0.000 0.527 109 L N 1.113 122.378 121.223 0.070 0.000 1.994 109 L HA 0.189 4.509 4.340 -0.034 0.000 0.208 109 L C 2.576 179.543 176.870 0.162 0.000 1.071 109 L CA 3.046 57.945 54.840 0.098 0.000 0.745 109 L CB -0.640 41.445 42.059 0.043 0.000 0.892 109 L HN 0.496 nan 8.230 nan 0.000 0.431 110 E N -1.080 119.183 120.200 0.105 0.000 2.110 110 E HA -0.298 4.031 4.350 -0.034 0.000 0.193 110 E C 2.121 178.773 176.600 0.087 0.000 0.988 110 E CA 1.174 57.628 56.400 0.091 0.000 0.804 110 E CB -0.167 29.570 29.700 0.062 0.000 0.745 110 E HN 0.472 nan 8.360 nan 0.000 0.458 111 Q N 0.595 120.449 119.800 0.090 0.000 2.124 111 Q HA -0.179 4.141 4.340 -0.034 0.000 0.202 111 Q C 1.754 177.808 176.000 0.089 0.000 0.977 111 Q CA 1.334 57.182 55.803 0.074 0.000 0.850 111 Q CB -0.409 28.371 28.738 0.070 0.000 0.901 111 Q HN 0.357 nan 8.270 nan 0.000 0.429 112 F N -0.386 119.570 119.950 0.010 0.000 2.134 112 F HA -0.141 4.366 4.527 -0.034 0.000 0.299 112 F C 1.638 177.445 175.800 0.010 0.000 1.097 112 F CA 1.187 59.193 58.000 0.011 0.000 1.264 112 F CB -0.147 38.860 39.000 0.011 0.000 1.001 112 F HN 0.118 nan 8.300 nan 0.000 0.479 113 L N 0.125 121.372 121.223 0.041 0.000 2.017 113 L HA -0.233 4.087 4.340 -0.034 0.000 0.208 113 L C 2.733 179.528 176.870 -0.124 0.000 1.073 113 L CA 1.558 56.366 54.840 -0.053 0.000 0.745 113 L CB -0.497 41.597 42.059 0.060 0.000 0.894 113 L HN 0.094 nan 8.230 nan 0.000 0.432 114 R N -0.329 120.132 120.500 -0.065 0.000 2.073 114 R HA -0.172 4.148 4.340 -0.034 0.000 0.234 114 R C 1.929 178.174 176.300 -0.092 0.000 1.134 114 R CA 1.678 57.745 56.100 -0.056 0.000 0.952 114 R CB -0.463 29.824 30.300 -0.021 0.000 0.850 114 R HN 0.365 nan 8.270 nan 0.000 0.433 115 D N -0.226 120.099 120.400 -0.125 0.000 2.123 115 D HA -0.121 4.499 4.640 -0.034 0.000 0.196 115 D C 1.834 178.014 176.300 -0.199 0.000 0.992 115 D CA 1.550 55.466 54.000 -0.140 0.000 0.833 115 D CB -0.354 40.367 40.800 -0.132 0.000 0.954 115 D HN 0.195 nan 8.370 nan 0.000 0.455 116 T N 0.592 114.937 114.554 -0.349 0.000 2.737 116 T HA -0.068 4.261 4.350 -0.034 0.000 0.265 116 T C 2.035 176.645 174.700 -0.151 0.000 1.038 116 T CA 1.442 63.339 62.100 -0.338 0.000 1.144 116 T CB -0.301 68.232 68.868 -0.560 0.000 0.866 116 T HN 0.191 nan 8.240 nan 0.000 0.434 117 A N 2.565 125.322 122.820 -0.105 0.000 1.883 117 A HA -0.176 4.123 4.320 -0.034 0.000 0.217 117 A C 2.261 179.898 177.584 0.089 0.000 1.186 117 A CA 1.583 53.665 52.037 0.074 0.000 0.624 117 A CB -0.662 18.385 19.000 0.078 0.000 0.822 117 A HN 0.385 nan 8.150 nan 0.000 0.444 118 N N -0.127 118.566 118.700 -0.012 0.000 2.166 118 N HA -0.119 4.601 4.740 -0.034 0.000 0.186 118 N C 2.053 177.531 175.510 -0.053 0.000 1.019 118 N CA 1.501 54.525 53.050 -0.043 0.000 0.856 118 N CB -0.493 37.963 38.487 -0.050 0.000 0.993 118 N HN 0.506 nan 8.380 nan 0.000 0.426 119 S N 0.785 116.453 115.700 -0.053 0.000 2.356 119 S HA 0.022 4.472 4.470 -0.034 0.000 0.223 119 S C 2.047 176.626 174.600 -0.035 0.000 1.032 119 S CA 0.597 58.767 58.200 -0.049 0.000 1.005 119 S CB -0.225 62.940 63.200 -0.058 0.000 0.867 119 S HN 0.208 nan 8.310 nan 0.000 0.449 120 L N 0.824 122.046 121.223 -0.000 0.000 2.017 120 L HA -0.100 4.219 4.340 -0.034 0.000 0.208 120 L C 2.506 179.362 176.870 -0.023 0.000 1.073 120 L CA 1.247 56.114 54.840 0.044 0.000 0.745 120 L CB -0.542 41.624 42.059 0.180 0.000 0.894 120 L HN 0.348 nan 8.230 nan 0.000 0.432 121 L N -0.709 120.461 121.223 -0.089 0.000 2.056 121 L HA -0.217 4.103 4.340 -0.034 0.000 0.207 121 L C 2.259 178.983 176.870 -0.244 0.000 1.078 121 L CA 1.012 55.682 54.840 -0.283 0.000 0.749 121 L CB -0.629 41.212 42.059 -0.364 0.000 0.901 121 L HN 0.256 nan 8.230 nan 0.000 0.433 122 D N -0.008 120.302 120.400 -0.150 0.000 2.123 122 D HA -0.167 4.453 4.640 -0.034 0.000 0.196 122 D C 1.948 178.197 176.300 -0.085 0.000 0.992 122 D CA 1.049 54.981 54.000 -0.113 0.000 0.833 122 D CB -0.316 40.442 40.800 -0.071 0.000 0.954 122 D HN 0.274 nan 8.370 nan 0.000 0.455 123 N N 0.402 119.062 118.700 -0.067 0.000 2.166 123 N HA -0.077 4.643 4.740 -0.034 0.000 0.186 123 N C 2.088 177.578 175.510 -0.033 0.000 1.019 123 N CA 0.383 53.411 53.050 -0.036 0.000 0.856 123 N CB -0.389 38.085 38.487 -0.022 0.000 0.993 123 N HN 0.269 nan 8.380 nan 0.000 0.426 124 L N 0.465 121.636 121.223 -0.086 0.000 2.056 124 L HA -0.055 4.264 4.340 -0.034 0.000 0.207 124 L C 2.119 178.978 176.870 -0.018 0.000 1.078 124 L CA 0.796 55.586 54.840 -0.082 0.000 0.749 124 L CB -0.352 41.564 42.059 -0.238 0.000 0.901 124 L HN 0.089 nan 8.230 nan 0.000 0.433 125 I N -0.512 119.973 120.570 -0.142 0.000 2.226 125 I HA -0.273 3.877 4.170 -0.034 0.000 0.245 125 I C 2.494 178.702 176.117 0.152 0.000 1.100 125 I CA 1.474 62.796 61.300 0.036 0.000 1.374 125 I CB -0.456 37.473 38.000 -0.120 0.000 1.057 125 I HN 0.246 nan 8.210 nan 0.000 0.413 126 T N 0.005 114.595 114.554 0.060 0.000 2.746 126 T HA -0.194 4.136 4.350 -0.034 0.000 0.267 126 T C 1.729 176.474 174.700 0.075 0.000 1.039 126 T CA 1.414 63.548 62.100 0.057 0.000 1.142 126 T CB -0.238 68.644 68.868 0.023 0.000 0.866 126 T HN 0.399 nan 8.240 nan 0.000 0.444 127 E N 0.198 120.449 120.200 0.086 0.000 2.208 127 E HA 0.266 4.596 4.350 -0.034 0.000 0.193 127 E C 1.021 177.683 176.600 0.104 0.000 0.988 127 E CA 0.320 56.769 56.400 0.081 0.000 0.828 127 E CB -0.024 29.720 29.700 0.073 0.000 0.763 127 E HN 0.535 nan 8.360 nan 0.000 0.478 128 G N 0.507 109.424 108.800 0.195 0.000 2.705 128 G HA2 -0.020 3.919 3.960 -0.034 0.000 0.686 128 G HA3 -0.020 3.919 3.960 -0.034 0.000 0.686 128 G C -0.255 174.681 174.900 0.060 0.000 1.285 128 G CA -0.712 44.470 45.100 0.135 0.000 0.800 128 G HN 0.386 nan 8.290 nan 0.000 0.611 129 A N 2.720 125.334 122.820 -0.344 0.000 2.425 129 A HA 0.724 5.024 4.320 -0.034 0.000 0.242 129 A C -0.555 176.904 177.584 -0.209 0.000 1.077 129 A CA 0.098 51.834 52.037 -0.501 0.000 0.781 129 A CB -0.209 18.180 19.000 -1.018 0.000 1.020 129 A HN 1.108 nan 8.150 nan 0.000 0.494 130 P HA 0.547 nan 4.420 nan 0.000 0.277 130 P C -0.719 176.639 177.300 0.097 0.000 1.240 130 P CA -0.140 62.933 63.100 -0.045 0.000 0.798 130 P CB 1.378 33.057 31.700 -0.034 0.000 0.979 131 A N 1.103 124.059 122.820 0.226 0.000 2.355 131 A HA 0.447 4.746 4.320 -0.034 0.000 0.324 131 A C -0.652 176.997 177.584 0.108 0.000 1.117 131 A CA -0.501 51.662 52.037 0.209 0.000 0.785 131 A CB 0.872 20.041 19.000 0.281 0.000 1.254 131 A HN 0.523 nan 8.150 nan 0.000 0.453 132 D N 2.420 122.857 120.400 0.063 0.000 2.428 132 D HA 0.303 4.923 4.640 -0.034 0.000 0.221 132 D C 0.617 176.945 176.300 0.046 0.000 1.123 132 D CA -0.211 53.810 54.000 0.034 0.000 0.869 132 D CB 0.567 41.376 40.800 0.015 0.000 1.032 132 D HN 0.413 nan 8.370 nan 0.000 0.506 133 L N 3.172 124.425 121.223 0.050 0.000 2.465 133 L HA 0.034 4.354 4.340 -0.034 0.000 0.224 133 L C 2.304 179.249 176.870 0.124 0.000 1.145 133 L CA 0.292 55.197 54.840 0.107 0.000 0.834 133 L CB -0.023 42.088 42.059 0.087 0.000 0.944 133 L HN 0.352 nan 8.230 nan 0.000 0.451 134 R N 0.372 120.898 120.500 0.044 0.000 2.048 134 R HA -0.038 4.282 4.340 -0.034 0.000 0.224 134 R C 1.964 178.265 176.300 0.001 0.000 1.163 134 R CA 0.956 57.066 56.100 0.016 0.000 0.956 134 R CB 0.064 30.352 30.300 -0.021 0.000 0.849 134 R HN 0.289 nan 8.270 nan 0.000 0.435 135 N N 0.606 119.303 118.700 -0.004 0.000 2.396 135 N HA -0.091 4.629 4.740 -0.034 0.000 0.180 135 N C 0.013 175.501 175.510 -0.036 0.000 1.028 135 N CA 1.001 54.036 53.050 -0.026 0.000 0.893 135 N CB 0.178 38.660 38.487 -0.008 0.000 0.967 135 N HN 0.324 nan 8.380 nan 0.000 0.440 136 D N -1.442 118.966 120.400 0.013 0.000 2.469 136 D HA 0.147 4.767 4.640 -0.034 0.000 0.215 136 D C 0.503 176.875 176.300 0.120 0.000 1.154 136 D CA -0.112 53.907 54.000 0.032 0.000 0.832 136 D CB 0.484 41.302 40.800 0.031 0.000 1.008 136 D HN 0.193 nan 8.370 nan 0.000 0.506 137 F N 0.433 120.336 119.950 -0.079 0.000 1.835 137 F HA 0.287 4.794 4.527 -0.033 0.000 0.231 137 F C 1.879 177.642 175.800 -0.062 0.000 1.216 137 F CA 0.279 58.229 58.000 -0.083 0.000 1.310 137 F CB -0.088 38.855 39.000 -0.095 0.000 1.827 137 F HN -0.142 nan 8.300 nan 0.000 0.352 138 A N 0.403 123.089 122.820 -0.222 0.000 1.877 138 A HA -0.140 4.160 4.320 -0.034 0.000 0.216 138 A C 1.635 179.122 177.584 -0.162 0.000 1.186 138 A CA 2.348 54.205 52.037 -0.299 0.000 0.620 138 A CB -0.985 17.971 19.000 -0.073 0.000 0.822 138 A HN 0.544 nan 8.150 nan 0.000 0.443 139 D N -0.618 119.703 120.400 -0.132 0.000 2.103 139 D HA -0.050 4.570 4.640 -0.034 0.000 0.199 139 D C -0.482 175.653 176.300 -0.274 0.000 0.978 139 D CA 1.380 55.271 54.000 -0.182 0.000 0.829 139 D CB -1.459 39.199 40.800 -0.237 0.000 0.981 139 D HN 0.297 nan 8.370 nan 0.000 0.464 140 P HA -0.100 nan 4.420 nan 0.000 0.216 140 P C 1.719 178.947 177.300 -0.119 0.000 1.150 140 P CA 0.620 63.601 63.100 -0.197 0.000 0.837 140 P CB 0.052 31.667 31.700 -0.141 0.000 0.786 141 L N -0.192 120.933 121.223 -0.165 0.000 2.046 141 L HA -0.071 4.249 4.340 -0.034 0.000 0.208 141 L C 2.307 179.242 176.870 0.108 0.000 1.077 141 L CA 1.982 56.754 54.840 -0.113 0.000 0.747 141 L CB -1.507 40.329 42.059 -0.372 0.000 0.896 141 L HN -0.113 nan 8.230 nan 0.000 0.432 142 A N -1.635 121.269 122.820 0.140 0.000 1.902 142 A HA -0.207 4.093 4.320 -0.034 0.000 0.217 142 A C 2.268 179.912 177.584 0.100 0.000 1.181 142 A CA 2.343 54.414 52.037 0.057 0.000 0.623 142 A CB -1.203 17.728 19.000 -0.115 0.000 0.818 142 A HN 0.503 nan 8.150 nan 0.000 0.443 143 T N 0.250 114.815 114.554 0.018 0.000 2.708 143 T HA -0.005 4.325 4.350 -0.034 0.000 0.266 143 T C 2.260 177.080 174.700 0.199 0.000 1.037 143 T CA 1.648 63.795 62.100 0.079 0.000 1.146 143 T CB -0.496 68.394 68.868 0.037 0.000 0.865 143 T HN 0.598 nan 8.240 nan 0.000 0.435 144 A N 1.408 124.332 122.820 0.174 0.000 1.902 144 A HA -0.034 4.266 4.320 -0.034 0.000 0.217 144 A C 2.258 180.067 177.584 0.375 0.000 1.181 144 A CA 1.427 53.631 52.037 0.278 0.000 0.623 144 A CB -0.883 18.248 19.000 0.218 0.000 0.818 144 A HN 0.410 nan 8.150 nan 0.000 0.443 145 L N -0.668 120.743 121.223 0.315 0.000 2.012 145 L HA -0.198 4.122 4.340 -0.034 0.000 0.210 145 L C 2.189 179.072 176.870 0.021 0.000 1.073 145 L CA 2.634 57.609 54.840 0.225 0.000 0.748 145 L CB -0.877 41.261 42.059 0.132 0.000 0.891 145 L HN 0.537 nan 8.230 nan 0.000 0.431 146 H N -2.176 116.940 119.070 0.076 0.000 2.470 146 H HA -0.032 4.504 4.556 -0.033 0.000 0.289 146 H C 2.313 177.766 175.328 0.209 0.000 1.033 146 H CA 1.445 57.535 56.048 0.069 0.000 1.331 146 H CB -0.450 29.217 29.762 -0.158 0.000 1.414 146 H HN 0.402 nan 8.280 nan 0.000 0.545 147 C N 0.450 119.952 119.300 0.337 0.000 2.429 147 C HA -0.116 4.324 4.460 -0.034 0.000 0.277 147 C C 2.649 177.688 174.990 0.082 0.000 1.262 147 C CA 1.114 60.287 59.018 0.258 0.000 1.733 147 C CB -0.377 27.504 27.740 0.235 0.000 2.010 147 C HN 0.477 nan 8.230 nan 0.000 0.483 148 K N 1.325 121.699 120.400 -0.043 0.000 2.026 148 K HA -0.098 4.201 4.320 -0.034 0.000 0.208 148 K C 1.785 178.298 176.600 -0.144 0.000 1.048 148 K CA 1.654 57.786 56.287 -0.260 0.000 0.929 148 K CB -0.707 31.383 32.500 -0.684 0.000 0.713 148 K HN 0.273 nan 8.250 nan 0.000 0.439 149 V N 0.722 120.583 119.914 -0.088 0.000 2.332 149 V HA -0.218 3.882 4.120 -0.034 0.000 0.248 149 V C 2.115 178.214 176.094 0.008 0.000 1.055 149 V CA 1.600 63.867 62.300 -0.054 0.000 1.038 149 V CB -0.415 31.355 31.823 -0.089 0.000 0.651 149 V HN 0.232 nan 8.190 nan 0.000 0.450 150 L N 0.235 121.504 121.223 0.077 0.000 2.313 150 L HA 0.238 4.558 4.340 -0.034 0.000 0.214 150 L C 1.834 178.729 176.870 0.042 0.000 1.119 150 L CA 1.631 56.531 54.840 0.100 0.000 0.809 150 L CB -0.767 41.416 42.059 0.206 0.000 0.933 150 L HN 0.512 nan 8.230 nan 0.000 0.449 151 G N -0.018 108.788 108.800 0.011 0.000 2.136 151 G HA2 -0.262 3.678 3.960 -0.034 0.000 0.242 151 G HA3 -0.262 3.678 3.960 -0.034 0.000 0.242 151 G C 0.422 175.325 174.900 0.005 0.000 0.989 151 G CA 0.400 45.490 45.100 -0.016 0.000 0.682 151 G HN 0.446 nan 8.290 nan 0.000 0.522 152 I N -2.361 118.239 120.570 0.051 0.000 2.676 152 I HA 0.778 4.928 4.170 -0.034 0.000 0.309 152 I C -2.221 173.945 176.117 0.082 0.000 0.990 152 I CA -3.209 58.140 61.300 0.082 0.000 1.168 152 I CB 1.339 39.437 38.000 0.162 0.000 1.343 152 I HN -0.158 nan 8.210 nan 0.000 0.482 153 P HA 0.053 nan 4.420 nan 0.000 0.265 153 P C 0.083 177.438 177.300 0.092 0.000 1.193 153 P CA -0.141 63.005 63.100 0.076 0.000 0.765 153 P CB 0.527 32.273 31.700 0.077 0.000 0.823 154 Q N 2.691 122.545 119.800 0.090 0.000 2.152 154 Q HA -0.228 4.092 4.340 -0.034 0.000 0.206 154 Q C 1.629 177.685 176.000 0.093 0.000 0.985 154 Q CA 1.859 57.731 55.803 0.115 0.000 0.863 154 Q CB -0.317 28.502 28.738 0.135 0.000 0.904 154 Q HN 0.703 nan 8.270 nan 0.000 0.422 155 E N 0.193 120.435 120.200 0.070 0.000 2.409 155 E HA -0.153 4.177 4.350 -0.034 0.000 0.198 155 E C 0.420 177.038 176.600 0.030 0.000 1.024 155 E CA 0.991 57.421 56.400 0.050 0.000 0.861 155 E CB 0.028 29.754 29.700 0.043 0.000 0.788 155 E HN 0.180 nan 8.360 nan 0.000 0.521 156 D N 0.919 121.335 120.400 0.026 0.000 2.348 156 D HA 0.023 4.643 4.640 -0.034 0.000 0.211 156 D C 1.830 178.066 176.300 -0.107 0.000 0.998 156 D CA 0.859 54.821 54.000 -0.064 0.000 0.873 156 D CB -0.007 40.767 40.800 -0.044 0.000 0.925 156 D HN 0.371 nan 8.370 nan 0.000 0.524 157 G N 2.117 110.932 108.800 0.025 0.000 2.433 157 G HA2 -0.198 3.742 3.960 -0.034 0.000 0.216 157 G HA3 -0.198 3.742 3.960 -0.034 0.000 0.216 157 G C -0.661 174.335 174.900 0.161 0.000 1.186 157 G CA 0.421 45.603 45.100 0.137 0.000 0.779 157 G HN 0.281 nan 8.290 nan 0.000 0.543 158 P HA -0.105 nan 4.420 nan 0.000 0.215 158 P C 1.640 179.043 177.300 0.173 0.000 1.153 158 P CA 2.043 65.231 63.100 0.147 0.000 0.853 158 P CB -0.067 31.676 31.700 0.073 0.000 0.788 159 K N -0.192 120.234 120.400 0.044 0.000 2.025 159 K HA -0.095 4.205 4.320 -0.034 0.000 0.207 159 K C 1.999 178.575 176.600 -0.040 0.000 1.049 159 K CA 1.463 57.746 56.287 -0.006 0.000 0.933 159 K CB -1.658 30.793 32.500 -0.081 0.000 0.714 159 K HN 0.066 nan 8.250 nan 0.000 0.438 160 L N 0.057 121.184 121.223 -0.159 0.000 2.042 160 L HA -0.129 4.190 4.340 -0.034 0.000 0.210 160 L C 2.532 179.463 176.870 0.102 0.000 1.076 160 L CA 1.447 56.127 54.840 -0.265 0.000 0.749 160 L CB -0.493 41.031 42.059 -0.891 0.000 0.893 160 L HN 0.185 nan 8.230 nan 0.000 0.432 161 F N 0.996 121.063 119.950 0.196 0.000 2.126 161 F HA -0.229 4.279 4.527 -0.031 0.000 0.299 161 F C 2.548 178.445 175.800 0.162 0.000 1.096 161 F CA 1.527 59.693 58.000 0.277 0.000 1.255 161 F CB -0.173 38.950 39.000 0.206 0.000 0.997 161 F HN -0.113 nan 8.300 nan 0.000 0.479 162 R N -0.349 120.180 120.500 0.049 0.000 2.280 162 R HA -0.043 4.277 4.340 -0.034 0.000 0.207 162 R C 2.166 178.421 176.300 -0.076 0.000 1.043 162 R CA 0.901 56.968 56.100 -0.055 0.000 1.006 162 R CB -0.424 29.920 30.300 0.074 0.000 0.885 162 R HN 0.207 nan 8.270 nan 0.000 0.467 163 S N 1.038 116.718 115.700 -0.034 0.000 2.442 163 S HA -0.021 4.429 4.470 -0.034 0.000 0.236 163 S C 1.730 176.350 174.600 0.032 0.000 1.007 163 S CA 0.801 59.008 58.200 0.013 0.000 0.965 163 S CB -0.024 63.207 63.200 0.051 0.000 0.773 163 S HN 0.279 nan 8.310 nan 0.000 0.504 164 L N 1.559 122.755 121.223 -0.045 0.000 2.240 164 L HA -0.031 4.289 4.340 -0.034 0.000 0.211 164 L C 2.545 179.550 176.870 0.225 0.000 1.106 164 L CA 1.124 56.024 54.840 0.100 0.000 0.793 164 L CB -0.742 41.280 42.059 -0.062 0.000 0.927 164 L HN 0.393 nan 8.230 nan 0.000 0.446 165 S N -0.382 115.340 115.700 0.037 0.000 2.474 165 S HA -0.052 4.398 4.470 -0.034 0.000 0.235 165 S C 1.677 176.429 174.600 0.254 0.000 0.997 165 S CA 0.774 59.023 58.200 0.082 0.000 0.949 165 S CB -0.275 62.863 63.200 -0.104 0.000 0.766 165 S HN 0.435 nan 8.310 nan 0.000 0.517 166 I N 0.654 121.334 120.570 0.183 0.000 3.300 166 I HA 0.243 4.393 4.170 -0.034 0.000 0.279 166 I C 2.793 178.962 176.117 0.087 0.000 1.172 166 I CA 0.587 61.968 61.300 0.134 0.000 1.431 166 I CB -0.392 37.645 38.000 0.063 0.000 1.240 166 I HN 0.335 nan 8.210 nan 0.000 0.453 167 A N 0.815 123.673 122.820 0.064 0.000 1.972 167 A HA -0.130 4.170 4.320 -0.034 0.000 0.219 167 A C 1.617 178.954 177.584 -0.412 0.000 1.169 167 A CA 1.584 53.545 52.037 -0.126 0.000 0.635 167 A CB -0.717 18.238 19.000 -0.075 0.000 0.810 167 A HN 0.417 nan 8.150 nan 0.000 0.446 168 F N -0.534 119.322 119.950 -0.156 0.000 2.668 168 F HA 0.360 4.868 4.527 -0.032 0.000 0.297 168 F C 0.794 176.113 175.800 -0.802 0.000 1.124 168 F CA -0.294 57.389 58.000 -0.529 0.000 1.353 168 F CB -0.246 38.331 39.000 -0.706 0.000 0.992 168 F HN 0.038 nan 8.300 nan 0.000 0.524 169 M N -0.029 119.469 119.600 -0.170 0.000 2.250 169 M HA -0.007 4.453 4.480 -0.034 0.000 0.325 169 M C 0.729 176.955 176.300 -0.123 0.000 1.084 169 M CA 0.519 55.810 55.300 -0.015 0.000 1.161 169 M CB 0.588 33.244 32.600 0.094 0.000 1.481 169 M HN -0.070 nan 8.290 nan 0.000 0.449 170 S N 1.831 117.502 115.700 -0.048 0.000 2.426 170 S HA 0.349 4.799 4.470 -0.034 0.000 0.236 170 S C -0.718 173.870 174.600 -0.020 0.000 1.368 170 S CA -0.537 57.628 58.200 -0.059 0.000 1.154 170 S CB 0.456 63.623 63.200 -0.056 0.000 1.037 170 S HN 0.667 nan 8.310 nan 0.000 0.481 171 S N 3.022 118.702 115.700 -0.033 0.000 2.537 171 S HA 0.719 5.169 4.470 -0.034 0.000 0.301 171 S C 1.174 175.756 174.600 -0.029 0.000 1.092 171 S CA -0.189 58.000 58.200 -0.019 0.000 1.048 171 S CB 1.407 64.594 63.200 -0.021 0.000 1.053 171 S HN 0.810 nan 8.310 nan 0.000 0.501 172 A N 2.838 125.646 122.820 -0.020 0.000 2.014 172 A HA 0.166 4.466 4.320 -0.034 0.000 0.218 172 A C 0.454 178.021 177.584 -0.030 0.000 1.163 172 A CA 0.977 52.999 52.037 -0.025 0.000 0.652 172 A CB -0.257 18.733 19.000 -0.018 0.000 0.808 172 A HN 0.820 nan 8.150 nan 0.000 0.449 173 D N -1.377 119.006 120.400 -0.028 0.000 2.490 173 D HA 0.453 5.073 4.640 -0.034 0.000 0.232 173 D C -2.980 173.298 176.300 -0.037 0.000 1.053 173 D CA -1.523 52.459 54.000 -0.030 0.000 0.914 173 D CB 1.145 41.932 40.800 -0.021 0.000 1.431 173 D HN -0.144 nan 8.370 nan 0.000 0.483 174 P HA 0.137 nan 4.420 nan 0.000 0.267 174 P C -0.432 176.845 177.300 -0.039 0.000 1.201 174 P CA 0.196 63.265 63.100 -0.051 0.000 0.775 174 P CB 0.586 32.257 31.700 -0.049 0.000 0.854 175 I N 3.713 124.257 120.570 -0.044 0.000 2.390 175 I HA 0.211 4.360 4.170 -0.034 0.000 0.283 175 I C -1.624 174.481 176.117 -0.020 0.000 1.016 175 I CA -2.120 59.164 61.300 -0.027 0.000 1.151 175 I CB 1.891 39.874 38.000 -0.028 0.000 1.293 175 I HN 0.225 nan 8.210 nan 0.000 0.458 176 P HA -0.185 nan 4.420 nan 0.000 0.215 176 P C 1.591 178.898 177.300 0.010 0.000 1.153 176 P CA 1.108 64.208 63.100 -0.001 0.000 0.853 176 P CB 0.346 32.047 31.700 0.002 0.000 0.788 177 A N -0.087 122.741 122.820 0.013 0.000 1.972 177 A HA -0.118 4.182 4.320 -0.034 0.000 0.219 177 A C 2.291 179.894 177.584 0.033 0.000 1.169 177 A CA 1.931 53.982 52.037 0.023 0.000 0.635 177 A CB -1.496 17.517 19.000 0.021 0.000 0.810 177 A HN 0.209 nan 8.150 nan 0.000 0.446 178 A N -0.072 122.759 122.820 0.019 0.000 1.933 178 A HA -0.160 4.139 4.320 -0.034 0.000 0.218 178 A C 2.116 179.743 177.584 0.072 0.000 1.175 178 A CA 1.958 54.010 52.037 0.024 0.000 0.628 178 A CB -0.403 18.574 19.000 -0.040 0.000 0.814 178 A HN 0.582 nan 8.150 nan 0.000 0.444 179 K N -0.224 120.204 120.400 0.048 0.000 2.057 179 K HA -0.043 4.257 4.320 -0.034 0.000 0.206 179 K C 1.790 178.473 176.600 0.138 0.000 1.050 179 K CA 1.351 57.693 56.287 0.092 0.000 0.935 179 K CB -0.315 32.209 32.500 0.039 0.000 0.715 179 K HN 0.475 nan 8.250 nan 0.000 0.439 180 I N 1.715 122.336 120.570 0.086 0.000 2.163 180 I HA -0.325 3.824 4.170 -0.034 0.000 0.243 180 I C 1.918 178.085 176.117 0.083 0.000 1.085 180 I CA 1.206 62.550 61.300 0.072 0.000 1.347 180 I CB -0.414 37.612 38.000 0.045 0.000 1.044 180 I HN 0.260 nan 8.210 nan 0.000 0.408 181 N N 0.133 118.887 118.700 0.091 0.000 2.188 181 N HA -0.208 4.512 4.740 -0.034 0.000 0.184 181 N C 1.524 177.101 175.510 0.112 0.000 1.018 181 N CA 1.057 54.154 53.050 0.078 0.000 0.858 181 N CB -0.435 38.096 38.487 0.073 0.000 0.989 181 N HN 0.547 nan 8.380 nan 0.000 0.426 182 W N 2.542 123.835 121.300 -0.012 0.000 2.335 182 W HA -0.183 4.463 4.660 -0.025 0.000 0.311 182 W C 0.719 177.244 176.519 0.011 0.000 1.213 182 W CA 1.327 58.669 57.345 -0.006 0.000 1.274 182 W CB -0.190 29.258 29.460 -0.020 0.000 1.148 182 W HN 0.035 nan 8.180 nan 0.000 0.498 183 D N -0.169 120.312 120.400 0.135 0.000 2.144 183 D HA -0.195 4.425 4.640 -0.034 0.000 0.199 183 D C 2.233 178.502 176.300 -0.053 0.000 0.984 183 D CA 1.475 55.494 54.000 0.031 0.000 0.834 183 D CB -0.532 40.333 40.800 0.109 0.000 0.955 183 D HN 0.230 nan 8.370 nan 0.000 0.465 184 R N 0.597 121.083 120.500 -0.024 0.000 2.075 184 R HA -0.120 4.199 4.340 -0.034 0.000 0.232 184 R C 1.176 177.445 176.300 -0.053 0.000 1.126 184 R CA 1.286 57.371 56.100 -0.025 0.000 0.963 184 R CB 0.121 30.415 30.300 -0.009 0.000 0.858 184 R HN 0.014 nan 8.270 nan 0.000 0.435 185 D N 0.527 120.857 120.400 -0.117 0.000 2.149 185 D HA -0.115 4.505 4.640 -0.034 0.000 0.201 185 D C 1.909 178.108 176.300 -0.170 0.000 0.972 185 D CA 0.712 54.628 54.000 -0.140 0.000 0.835 185 D CB -0.028 40.660 40.800 -0.188 0.000 0.966 185 D HN 0.208 nan 8.370 nan 0.000 0.476 186 I N 1.368 121.727 120.570 -0.351 0.000 2.226 186 I HA -0.184 3.966 4.170 -0.034 0.000 0.245 186 I C 2.166 178.198 176.117 -0.141 0.000 1.100 186 I CA 1.143 62.245 61.300 -0.329 0.000 1.374 186 I CB -0.667 37.065 38.000 -0.446 0.000 1.057 186 I HN -0.001 nan 8.210 nan 0.000 0.413 187 E N 0.079 120.225 120.200 -0.090 0.000 2.085 187 E HA -0.265 4.065 4.350 -0.034 0.000 0.194 187 E C 2.089 178.673 176.600 -0.027 0.000 0.994 187 E CA 1.269 57.645 56.400 -0.042 0.000 0.801 187 E CB -0.731 28.959 29.700 -0.016 0.000 0.743 187 E HN 0.579 nan 8.360 nan 0.000 0.453 188 Y N 0.831 121.066 120.300 -0.108 0.000 2.128 188 Y HA -0.223 4.306 4.550 -0.034 0.000 0.284 188 Y C 2.195 178.037 175.900 -0.097 0.000 1.154 188 Y CA 1.756 59.797 58.100 -0.099 0.000 1.149 188 Y CB -0.143 38.246 38.460 -0.118 0.000 0.976 188 Y HN -0.062 nan 8.280 nan 0.000 0.505 189 M N 0.044 119.568 119.600 -0.126 0.000 2.229 189 M HA -0.097 4.363 4.480 -0.034 0.000 0.264 189 M C 2.447 178.632 176.300 -0.190 0.000 1.063 189 M CA 1.431 56.616 55.300 -0.192 0.000 1.114 189 M CB -1.666 30.905 32.600 -0.048 0.000 1.387 189 M HN 0.506 nan 8.290 nan 0.000 0.420 190 A N 0.310 123.048 122.820 -0.138 0.000 1.902 190 A HA -0.016 4.284 4.320 -0.034 0.000 0.217 190 A C 2.423 179.920 177.584 -0.145 0.000 1.181 190 A CA 1.938 53.912 52.037 -0.105 0.000 0.623 190 A CB -1.387 17.574 19.000 -0.066 0.000 0.818 190 A HN 0.501 nan 8.150 nan 0.000 0.443 191 G N -0.151 108.534 108.800 -0.191 0.000 2.422 191 G HA2 -0.141 3.799 3.960 -0.034 0.000 0.218 191 G HA3 -0.141 3.799 3.960 -0.034 0.000 0.218 191 G C 1.398 176.148 174.900 -0.250 0.000 1.146 191 G CA 1.011 45.990 45.100 -0.201 0.000 0.769 191 G HN 0.358 nan 8.290 nan 0.000 0.547 192 I N 0.806 121.154 120.570 -0.369 0.000 2.226 192 I HA -0.082 4.068 4.170 -0.034 0.000 0.245 192 I C 2.768 178.763 176.117 -0.204 0.000 1.100 192 I CA 0.939 62.044 61.300 -0.325 0.000 1.374 192 I CB -0.836 36.922 38.000 -0.403 0.000 1.057 192 I HN 0.167 nan 8.210 nan 0.000 0.413 193 L N 0.056 121.169 121.223 -0.183 0.000 2.201 193 L HA -0.150 4.170 4.340 -0.034 0.000 0.212 193 L C 2.108 178.887 176.870 -0.153 0.000 1.105 193 L CA 1.007 55.747 54.840 -0.166 0.000 0.775 193 L CB -0.362 41.599 42.059 -0.163 0.000 0.913 193 L HN 0.194 nan 8.230 nan 0.000 0.440 194 E N -0.570 119.548 120.200 -0.137 0.000 2.479 194 E HA 0.031 4.361 4.350 -0.034 0.000 0.193 194 E C 0.178 176.717 176.600 -0.101 0.000 1.049 194 E CA -0.024 56.310 56.400 -0.111 0.000 0.870 194 E CB -0.028 29.616 29.700 -0.094 0.000 0.944 194 E HN 0.247 nan 8.360 nan 0.000 0.492 195 N N 2.360 120.992 118.700 -0.114 0.000 2.406 195 N HA 0.048 4.768 4.740 -0.034 0.000 0.251 195 N C -1.680 173.780 175.510 -0.083 0.000 1.069 195 N CA -1.779 51.212 53.050 -0.097 0.000 0.947 195 N CB 1.405 39.823 38.487 -0.115 0.000 1.111 195 N HN -0.166 nan 8.380 nan 0.000 0.497 196 P HA -0.052 nan 4.420 nan 0.000 0.225 196 P C 0.261 177.529 177.300 -0.053 0.000 1.148 196 P CA 0.782 63.847 63.100 -0.059 0.000 0.779 196 P CB 0.500 32.172 31.700 -0.048 0.000 0.780 197 N N -0.053 118.617 118.700 -0.050 0.000 2.459 197 N HA -0.004 4.716 4.740 -0.034 0.000 0.181 197 N C 0.656 176.138 175.510 -0.046 0.000 1.046 197 N CA 0.611 53.636 53.050 -0.042 0.000 0.904 197 N CB -0.054 38.414 38.487 -0.033 0.000 0.964 197 N HN 0.213 nan 8.380 nan 0.000 0.444 198 I N 1.813 122.347 120.570 -0.060 0.000 2.282 198 I HA 0.087 4.237 4.170 -0.034 0.000 0.290 198 I C 1.061 177.139 176.117 -0.067 0.000 1.090 198 I CA 0.301 61.563 61.300 -0.063 0.000 1.231 198 I CB -0.023 37.929 38.000 -0.081 0.000 1.434 198 I HN -0.021 nan 8.210 nan 0.000 0.487 199 T N -0.213 114.307 114.554 -0.056 0.000 3.058 199 T HA 0.136 4.466 4.350 -0.034 0.000 0.278 199 T C 0.679 175.347 174.700 -0.053 0.000 0.974 199 T CA -0.085 61.981 62.100 -0.056 0.000 0.893 199 T CB 0.276 69.115 68.868 -0.048 0.000 1.138 199 T HN 0.503 nan 8.240 nan 0.000 0.529 200 T N -1.468 113.056 114.554 -0.051 0.000 2.910 200 T HA 0.725 5.055 4.350 -0.034 0.000 0.287 200 T C 0.820 175.490 174.700 -0.049 0.000 1.050 200 T CA -0.100 61.971 62.100 -0.050 0.000 1.011 200 T CB 1.253 70.090 68.868 -0.052 0.000 1.195 200 T HN 1.208 nan 8.240 nan 0.000 0.540 201 G N 0.346 109.117 108.800 -0.048 0.000 2.697 201 G HA2 -0.151 3.789 3.960 -0.034 0.000 0.240 201 G HA3 -0.151 3.789 3.960 -0.034 0.000 0.240 201 G C 0.452 175.330 174.900 -0.037 0.000 1.346 201 G CA 0.162 45.238 45.100 -0.041 0.000 0.887 201 G HN 1.486 nan 8.290 nan 0.000 0.569 202 L N -0.554 120.655 121.223 -0.024 0.000 2.017 202 L HA 0.030 4.350 4.340 -0.034 0.000 0.208 202 L C 2.954 179.800 176.870 -0.040 0.000 1.073 202 L CA 3.158 57.976 54.840 -0.037 0.000 0.745 202 L CB -0.466 41.578 42.059 -0.025 0.000 0.894 202 L HN 0.631 nan 8.230 nan 0.000 0.432 203 M N -0.631 118.955 119.600 -0.023 0.000 2.254 203 M HA 0.022 4.482 4.480 -0.034 0.000 0.265 203 M C 2.298 178.553 176.300 -0.074 0.000 1.066 203 M CA 1.323 56.599 55.300 -0.040 0.000 1.123 203 M CB -2.220 30.363 32.600 -0.028 0.000 1.388 203 M HN 0.399 nan 8.290 nan 0.000 0.425 204 G N -0.103 108.656 108.800 -0.067 0.000 2.418 204 G HA2 -0.246 3.694 3.960 -0.034 0.000 0.217 204 G HA3 -0.246 3.694 3.960 -0.034 0.000 0.217 204 G C 1.574 176.418 174.900 -0.094 0.000 1.158 204 G CA 1.170 46.222 45.100 -0.079 0.000 0.771 204 G HN 0.438 nan 8.290 nan 0.000 0.545 205 E N 0.487 120.636 120.200 -0.085 0.000 2.047 205 E HA 0.001 4.331 4.350 -0.034 0.000 0.191 205 E C 2.549 179.070 176.600 -0.132 0.000 0.987 205 E CA 0.644 56.986 56.400 -0.097 0.000 0.799 205 E CB -0.461 29.191 29.700 -0.080 0.000 0.752 205 E HN 0.420 nan 8.360 nan 0.000 0.449 206 L N 0.065 121.219 121.223 -0.116 0.000 2.083 206 L HA -0.152 4.168 4.340 -0.034 0.000 0.209 206 L C 2.457 179.122 176.870 -0.340 0.000 1.083 206 L CA 1.239 55.996 54.840 -0.137 0.000 0.752 206 L CB -0.401 41.663 42.059 0.009 0.000 0.899 206 L HN 0.102 nan 8.230 nan 0.000 0.433 207 S N -0.061 115.483 115.700 -0.260 0.000 2.382 207 S HA -0.192 4.258 4.470 -0.034 0.000 0.228 207 S C 1.966 176.407 174.600 -0.265 0.000 1.027 207 S CA 1.621 59.652 58.200 -0.282 0.000 0.991 207 S CB -0.241 62.847 63.200 -0.186 0.000 0.823 207 S HN 0.514 nan 8.310 nan 0.000 0.469 208 R N 1.275 121.653 120.500 -0.203 0.000 2.073 208 R HA 0.106 4.425 4.340 -0.034 0.000 0.229 208 R C 2.050 178.240 176.300 -0.183 0.000 1.120 208 R CA 1.051 57.055 56.100 -0.160 0.000 0.967 208 R CB -0.781 29.453 30.300 -0.109 0.000 0.862 208 R HN 0.292 nan 8.270 nan 0.000 0.436 209 L N 0.927 122.001 121.223 -0.249 0.000 2.131 209 L HA -0.059 4.261 4.340 -0.034 0.000 0.210 209 L C 3.027 179.754 176.870 -0.239 0.000 1.092 209 L CA 1.500 56.148 54.840 -0.320 0.000 0.759 209 L CB -0.486 41.252 42.059 -0.534 0.000 0.903 209 L HN 0.266 nan 8.230 nan 0.000 0.435 210 R N 0.454 120.666 120.500 -0.481 0.000 2.159 210 R HA -0.150 4.170 4.340 -0.034 0.000 0.237 210 R C 1.476 177.665 176.300 -0.185 0.000 1.131 210 R CA 1.165 56.929 56.100 -0.560 0.000 0.982 210 R CB 0.169 29.886 30.300 -0.971 0.000 0.868 210 R HN 0.143 nan 8.270 nan 0.000 0.453 211 K N 0.346 120.659 120.400 -0.145 0.000 2.358 211 K HA 0.066 4.366 4.320 -0.034 0.000 0.197 211 K C -0.377 176.217 176.600 -0.010 0.000 1.025 211 K CA -0.046 56.198 56.287 -0.072 0.000 1.104 211 K CB 0.345 32.794 32.500 -0.086 0.000 0.855 211 K HN 0.153 nan 8.250 nan 0.000 0.531 212 D N 2.232 122.659 120.400 0.046 0.000 2.308 212 D HA 0.068 4.688 4.640 -0.034 0.000 0.251 212 D C -1.599 174.784 176.300 0.139 0.000 1.127 212 D CA -2.029 52.042 54.000 0.119 0.000 0.876 212 D CB 1.818 42.752 40.800 0.223 0.000 1.176 212 D HN -0.129 nan 8.370 nan 0.000 0.446 213 P HA -0.110 nan 4.420 nan 0.000 0.219 213 P C 0.897 178.204 177.300 0.012 0.000 1.146 213 P CA 0.824 63.941 63.100 0.028 0.000 0.808 213 P CB 0.077 31.784 31.700 0.012 0.000 0.779 214 A N -1.693 121.126 122.820 -0.002 0.000 2.172 214 A HA -0.116 4.184 4.320 -0.034 0.000 0.216 214 A C 1.007 178.325 177.584 -0.443 0.000 1.154 214 A CA 0.955 52.866 52.037 -0.211 0.000 0.701 214 A CB -1.247 17.577 19.000 -0.292 0.000 0.789 214 A HN 0.225 nan 8.150 nan 0.000 0.465 215 Y N -0.745 119.593 120.300 0.063 0.000 2.682 215 Y HA 0.113 4.642 4.550 -0.034 0.000 0.251 215 Y C 2.070 178.025 175.900 0.092 0.000 1.172 215 Y CA 0.074 58.240 58.100 0.109 0.000 1.186 215 Y CB -0.027 38.543 38.460 0.184 0.000 1.216 215 Y HN 0.342 nan 8.280 nan 0.000 0.540 216 S N -1.130 114.617 115.700 0.077 0.000 2.442 216 S HA -0.181 4.269 4.470 -0.034 0.000 0.236 216 S C 1.068 175.546 174.600 -0.205 0.000 1.007 216 S CA 1.405 59.553 58.200 -0.086 0.000 0.965 216 S CB -0.424 62.635 63.200 -0.234 0.000 0.773 216 S HN 0.521 nan 8.310 nan 0.000 0.504 217 H N 0.399 119.525 119.070 0.093 0.000 2.520 217 H HA 0.414 4.950 4.556 -0.034 0.000 0.284 217 H C -0.060 175.317 175.328 0.081 0.000 1.037 217 H CA -0.177 55.915 56.048 0.073 0.000 1.168 217 H CB 0.108 29.891 29.762 0.036 0.000 1.497 217 H HN 0.268 nan 8.280 nan 0.000 0.547 218 V N 2.823 122.855 119.914 0.197 0.000 2.614 218 V HA -0.001 4.099 4.120 -0.034 0.000 0.291 218 V C 0.951 177.116 176.094 0.118 0.000 1.049 218 V CA -0.379 61.984 62.300 0.105 0.000 1.038 218 V CB 1.375 33.227 31.823 0.047 0.000 0.980 218 V HN 0.405 nan 8.190 nan 0.000 0.481 219 S N 2.432 118.147 115.700 0.024 0.000 2.580 219 S HA 0.127 4.577 4.470 -0.034 0.000 0.274 219 S C 0.679 175.369 174.600 0.149 0.000 1.329 219 S CA -0.557 57.691 58.200 0.081 0.000 1.036 219 S CB 0.976 64.206 63.200 0.050 0.000 0.919 219 S HN 0.688 nan 8.310 nan 0.000 0.515 220 D N 1.803 122.333 120.400 0.217 0.000 2.221 220 D HA -0.067 4.553 4.640 -0.034 0.000 0.204 220 D C 1.636 178.043 176.300 0.179 0.000 0.982 220 D CA 1.283 55.442 54.000 0.265 0.000 0.857 220 D CB -0.208 40.675 40.800 0.139 0.000 0.934 220 D HN 0.719 nan 8.370 nan 0.000 0.475 221 E N 0.237 120.501 120.200 0.107 0.000 2.058 221 E HA -0.132 4.198 4.350 -0.034 0.000 0.194 221 E C 1.925 178.568 176.600 0.071 0.000 0.997 221 E CA 0.287 56.738 56.400 0.085 0.000 0.801 221 E CB -0.371 29.379 29.700 0.082 0.000 0.746 221 E HN 0.182 nan 8.360 nan 0.000 0.450 222 L N -0.323 120.902 121.223 0.003 0.000 2.046 222 L HA -0.090 4.230 4.340 -0.034 0.000 0.208 222 L C 1.907 178.731 176.870 -0.076 0.000 1.077 222 L CA 1.600 56.395 54.840 -0.075 0.000 0.747 222 L CB -0.541 41.394 42.059 -0.207 0.000 0.896 222 L HN 0.112 nan 8.230 nan 0.000 0.432 223 F N -0.270 119.692 119.950 0.019 0.000 2.095 223 F HA -0.256 4.252 4.527 -0.033 0.000 0.298 223 F C 2.511 178.300 175.800 -0.019 0.000 1.104 223 F CA 1.381 59.372 58.000 -0.014 0.000 1.232 223 F CB -0.870 38.109 39.000 -0.034 0.000 0.987 223 F HN 0.209 nan 8.300 nan 0.000 0.475 224 A N -0.467 122.450 122.820 0.162 0.000 1.930 224 A HA -0.162 4.138 4.320 -0.034 0.000 0.217 224 A C 2.163 179.756 177.584 0.016 0.000 1.175 224 A CA 2.152 54.217 52.037 0.047 0.000 0.627 224 A CB -1.266 17.729 19.000 -0.008 0.000 0.815 224 A HN 0.341 nan 8.150 nan 0.000 0.443 225 T N 0.406 114.991 114.554 0.053 0.000 2.788 225 T HA -0.094 4.236 4.350 -0.034 0.000 0.268 225 T C 1.751 176.561 174.700 0.184 0.000 1.044 225 T CA 1.485 63.650 62.100 0.108 0.000 1.139 225 T CB -0.420 68.578 68.868 0.217 0.000 0.867 225 T HN 0.442 nan 8.240 nan 0.000 0.454 226 I N 1.128 121.793 120.570 0.159 0.000 2.226 226 I HA -0.119 4.031 4.170 -0.034 0.000 0.245 226 I C 2.871 179.129 176.117 0.235 0.000 1.100 226 I CA 1.298 62.711 61.300 0.189 0.000 1.374 226 I CB -0.701 37.303 38.000 0.005 0.000 1.057 226 I HN 0.307 nan 8.210 nan 0.000 0.413 227 G N 0.441 109.332 108.800 0.152 0.000 2.421 227 G HA2 -0.176 3.764 3.960 -0.034 0.000 0.216 227 G HA3 -0.176 3.764 3.960 -0.034 0.000 0.216 227 G C 1.702 176.744 174.900 0.236 0.000 1.171 227 G CA 0.905 46.110 45.100 0.175 0.000 0.775 227 G HN 0.238 nan 8.290 nan 0.000 0.543 228 V N 1.723 121.716 119.914 0.132 0.000 2.307 228 V HA -0.180 3.919 4.120 -0.034 0.000 0.245 228 V C 3.351 179.616 176.094 0.286 0.000 1.045 228 V CA 2.485 64.841 62.300 0.095 0.000 1.024 228 V CB -0.988 30.685 31.823 -0.251 0.000 0.651 228 V HN 0.658 nan 8.190 nan 0.000 0.449 229 T N -2.107 112.653 114.554 0.345 0.000 2.857 229 T HA -0.133 4.197 4.350 -0.034 0.000 0.266 229 T C 1.795 176.685 174.700 0.316 0.000 1.048 229 T CA 1.303 63.629 62.100 0.375 0.000 1.139 229 T CB -0.528 68.562 68.868 0.370 0.000 0.874 229 T HN 0.283 nan 8.240 nan 0.000 0.455 230 F N 0.601 120.685 119.950 0.223 0.000 2.206 230 F HA 0.217 4.725 4.527 -0.032 0.000 0.298 230 F C 2.025 177.950 175.800 0.208 0.000 1.090 230 F CA -0.147 57.973 58.000 0.201 0.000 1.323 230 F CB -0.833 38.278 39.000 0.184 0.000 1.028 230 F HN 0.137 nan 8.300 nan 0.000 0.492 231 F N 0.678 120.797 119.950 0.282 0.000 2.069 231 F HA -0.111 4.395 4.527 -0.035 0.000 0.298 231 F C 2.426 178.247 175.800 0.036 0.000 1.113 231 F CA 1.949 60.045 58.000 0.161 0.000 1.214 231 F CB -0.920 38.179 39.000 0.164 0.000 0.978 231 F HN -0.050 nan 8.300 nan 0.000 0.474 232 G N -0.476 108.542 108.800 0.364 0.000 2.433 232 G HA2 -0.216 3.723 3.960 -0.034 0.000 0.216 232 G HA3 -0.216 3.723 3.960 -0.034 0.000 0.216 232 G C 1.793 176.691 174.900 -0.004 0.000 1.186 232 G CA 0.853 46.148 45.100 0.325 0.000 0.779 232 G HN 0.622 nan 8.290 nan 0.000 0.543 233 A N 0.786 123.644 122.820 0.063 0.000 1.902 233 A HA 0.147 4.447 4.320 -0.034 0.000 0.217 233 A C 2.686 180.089 177.584 -0.302 0.000 1.181 233 A CA 2.195 54.154 52.037 -0.130 0.000 0.623 233 A CB -1.046 17.906 19.000 -0.081 0.000 0.818 233 A HN 0.536 nan 8.150 nan 0.000 0.443 234 G N -0.804 107.795 108.800 -0.335 0.000 2.394 234 G HA2 -0.036 3.904 3.960 -0.034 0.000 0.215 234 G HA3 -0.036 3.904 3.960 -0.034 0.000 0.215 234 G C 1.505 175.894 174.900 -0.851 0.000 1.165 234 G CA 1.144 45.973 45.100 -0.451 0.000 0.784 234 G HN 0.303 nan 8.290 nan 0.000 0.535 235 V N 0.778 120.047 119.914 -1.074 0.000 2.307 235 V HA -0.115 3.985 4.120 -0.034 0.000 0.245 235 V C 2.603 178.456 176.094 -0.401 0.000 1.045 235 V CA 1.465 63.303 62.300 -0.769 0.000 1.024 235 V CB -0.347 31.007 31.823 -0.782 0.000 0.651 235 V HN 0.323 nan 8.190 nan 0.000 0.449 236 I N -0.067 120.233 120.570 -0.449 0.000 2.286 236 I HA -0.175 3.975 4.170 -0.034 0.000 0.248 236 I C 2.428 178.355 176.117 -0.316 0.000 1.115 236 I CA 1.592 62.639 61.300 -0.422 0.000 1.392 236 I CB -0.185 37.271 38.000 -0.908 0.000 1.065 236 I HN 0.208 nan 8.210 nan 0.000 0.418 237 S N -0.684 114.826 115.700 -0.316 0.000 2.377 237 S HA -0.133 4.317 4.470 -0.034 0.000 0.223 237 S C 1.984 176.586 174.600 0.003 0.000 1.030 237 S CA 1.554 59.670 58.200 -0.140 0.000 0.970 237 S CB -0.613 62.545 63.200 -0.070 0.000 0.830 237 S HN 0.701 nan 8.310 nan 0.000 0.473 238 T N 0.361 114.870 114.554 -0.075 0.000 2.812 238 T HA 0.027 4.357 4.350 -0.034 0.000 0.264 238 T C 2.045 176.742 174.700 -0.006 0.000 1.042 238 T CA 1.284 63.344 62.100 -0.067 0.000 1.140 238 T CB -1.023 67.570 68.868 -0.459 0.000 0.870 238 T HN 0.342 nan 8.240 nan 0.000 0.445 239 G N 1.219 109.977 108.800 -0.070 0.000 2.418 239 G HA2 -0.156 3.784 3.960 -0.034 0.000 0.217 239 G HA3 -0.156 3.784 3.960 -0.034 0.000 0.217 239 G C 1.900 176.836 174.900 0.061 0.000 1.158 239 G CA 1.007 46.121 45.100 0.023 0.000 0.771 239 G HN 0.565 nan 8.290 nan 0.000 0.545 240 S N 0.353 116.088 115.700 0.057 0.000 2.368 240 S HA -0.056 4.394 4.470 -0.034 0.000 0.224 240 S C 1.893 176.571 174.600 0.129 0.000 1.029 240 S CA 1.015 59.267 58.200 0.087 0.000 0.988 240 S CB -0.354 62.888 63.200 0.071 0.000 0.838 240 S HN 0.403 nan 8.310 nan 0.000 0.462 241 F N 2.644 122.628 119.950 0.057 0.000 2.102 241 F HA -0.034 4.473 4.527 -0.034 0.000 0.298 241 F C 1.889 177.750 175.800 0.100 0.000 1.105 241 F CA 0.852 58.899 58.000 0.079 0.000 1.239 241 F CB -0.708 38.335 39.000 0.071 0.000 0.991 241 F HN 0.145 nan 8.300 nan 0.000 0.474 242 L N 0.421 121.545 121.223 -0.164 0.000 2.042 242 L HA -0.167 4.152 4.340 -0.034 0.000 0.210 242 L C 2.253 179.008 176.870 -0.192 0.000 1.076 242 L CA 2.577 57.269 54.840 -0.246 0.000 0.749 242 L CB -1.450 40.630 42.059 0.035 0.000 0.893 242 L HN 0.241 nan 8.230 nan 0.000 0.432 243 T N -0.963 113.549 114.554 -0.071 0.000 2.684 243 T HA -0.190 4.140 4.350 -0.034 0.000 0.267 243 T C 1.720 176.403 174.700 -0.030 0.000 1.036 243 T CA 2.176 64.261 62.100 -0.025 0.000 1.148 243 T CB -0.661 68.209 68.868 0.004 0.000 0.863 243 T HN 0.690 nan 8.240 nan 0.000 0.436 244 T N 0.588 115.129 114.554 -0.022 0.000 2.985 244 T HA 0.223 4.553 4.350 -0.034 0.000 0.266 244 T C 2.256 176.926 174.700 -0.049 0.000 1.076 244 T CA 0.850 62.984 62.100 0.057 0.000 1.135 244 T CB -0.438 68.536 68.868 0.177 0.000 0.890 244 T HN 0.323 nan 8.240 nan 0.000 0.480 245 A N 1.823 124.474 122.820 -0.281 0.000 1.933 245 A HA 0.176 4.476 4.320 -0.034 0.000 0.218 245 A C 2.378 179.881 177.584 -0.134 0.000 1.175 245 A CA 1.121 52.973 52.037 -0.308 0.000 0.628 245 A CB -0.904 17.660 19.000 -0.728 0.000 0.814 245 A HN 0.529 nan 8.150 nan 0.000 0.444 246 L N -0.588 120.571 121.223 -0.106 0.000 2.083 246 L HA -0.195 4.125 4.340 -0.034 0.000 0.209 246 L C 2.441 179.312 176.870 0.002 0.000 1.083 246 L CA 1.218 56.040 54.840 -0.029 0.000 0.752 246 L CB -0.562 41.501 42.059 0.007 0.000 0.899 246 L HN 0.383 nan 8.230 nan 0.000 0.433 247 I N -0.786 119.797 120.570 0.023 0.000 2.179 247 I HA -0.286 3.864 4.170 -0.034 0.000 0.242 247 I C 2.628 178.778 176.117 0.056 0.000 1.088 247 I CA 1.266 62.602 61.300 0.061 0.000 1.357 247 I CB -0.333 37.745 38.000 0.130 0.000 1.051 247 I HN 0.150 nan 8.210 nan 0.000 0.409 248 S N 0.779 116.507 115.700 0.047 0.000 2.383 248 S HA -0.155 4.294 4.470 -0.034 0.000 0.229 248 S C 2.010 176.628 174.600 0.031 0.000 1.030 248 S CA 1.316 59.543 58.200 0.045 0.000 1.002 248 S CB -0.353 62.871 63.200 0.040 0.000 0.829 248 S HN 0.339 nan 8.310 nan 0.000 0.467 249 L N 0.595 121.827 121.223 0.016 0.000 2.044 249 L HA -0.000 4.319 4.340 -0.034 0.000 0.205 249 L C 2.152 179.033 176.870 0.017 0.000 1.075 249 L CA 1.060 55.908 54.840 0.014 0.000 0.747 249 L CB -0.343 41.719 42.059 0.005 0.000 0.903 249 L HN 0.298 nan 8.230 nan 0.000 0.435 250 I N -0.212 120.369 120.570 0.018 0.000 2.286 250 I HA -0.316 3.833 4.170 -0.034 0.000 0.248 250 I C 2.060 178.192 176.117 0.024 0.000 1.115 250 I CA 1.251 62.562 61.300 0.019 0.000 1.392 250 I CB -0.151 37.862 38.000 0.022 0.000 1.065 250 I HN 0.402 nan 8.210 nan 0.000 0.418 251 Q N 0.822 120.642 119.800 0.033 0.000 2.482 251 Q HA 0.049 4.369 4.340 -0.034 0.000 0.209 251 Q C 0.313 176.331 176.000 0.030 0.000 0.961 251 Q CA 0.449 56.273 55.803 0.036 0.000 0.945 251 Q CB -0.060 28.707 28.738 0.048 0.000 1.012 251 Q HN 0.402 nan 8.270 nan 0.000 0.515 252 R N 0.567 121.083 120.500 0.026 0.000 2.651 252 R HA 0.205 4.525 4.340 -0.034 0.000 0.282 252 R C -2.271 174.041 176.300 0.020 0.000 1.565 252 R CA -1.621 54.493 56.100 0.023 0.000 1.661 252 R CB 0.861 31.175 30.300 0.024 0.000 1.189 252 R HN 0.013 nan 8.270 nan 0.000 0.621 253 P HA -0.244 nan 4.420 nan 0.000 0.216 253 P C 1.220 178.531 177.300 0.017 0.000 1.150 253 P CA 1.124 64.232 63.100 0.013 0.000 0.837 253 P CB 0.346 32.051 31.700 0.010 0.000 0.786 254 Q N -0.756 119.056 119.800 0.019 0.000 2.050 254 Q HA -0.195 4.125 4.340 -0.034 0.000 0.202 254 Q C 1.998 178.014 176.000 0.026 0.000 0.980 254 Q CA 1.306 57.122 55.803 0.022 0.000 0.840 254 Q CB -0.655 28.094 28.738 0.019 0.000 0.898 254 Q HN 0.110 nan 8.270 nan 0.000 0.424 255 L N 0.893 122.131 121.223 0.025 0.000 2.056 255 L HA -0.148 4.172 4.340 -0.034 0.000 0.207 255 L C 2.483 179.374 176.870 0.035 0.000 1.078 255 L CA 1.799 56.656 54.840 0.028 0.000 0.749 255 L CB -0.621 41.452 42.059 0.023 0.000 0.901 255 L HN 0.155 nan 8.230 nan 0.000 0.433 256 R N -0.437 120.082 120.500 0.031 0.000 2.096 256 R HA -0.218 4.102 4.340 -0.034 0.000 0.240 256 R C 1.971 178.307 176.300 0.060 0.000 1.139 256 R CA 2.001 58.121 56.100 0.034 0.000 0.952 256 R CB -0.354 29.954 30.300 0.013 0.000 0.854 256 R HN 0.494 nan 8.270 nan 0.000 0.436 257 N N 0.947 119.679 118.700 0.054 0.000 2.142 257 N HA -0.173 4.547 4.740 -0.034 0.000 0.186 257 N C 1.744 177.316 175.510 0.104 0.000 1.023 257 N CA 0.997 54.099 53.050 0.087 0.000 0.852 257 N CB -0.478 38.044 38.487 0.058 0.000 0.998 257 N HN 0.180 nan 8.380 nan 0.000 0.424 258 L N 1.383 122.644 121.223 0.064 0.000 2.012 258 L HA -0.062 4.258 4.340 -0.034 0.000 0.210 258 L C 1.961 178.858 176.870 0.046 0.000 1.073 258 L CA 1.446 56.314 54.840 0.047 0.000 0.748 258 L CB -0.697 41.382 42.059 0.033 0.000 0.891 258 L HN 0.116 nan 8.230 nan 0.000 0.431 259 L N -1.271 119.987 121.223 0.057 0.000 2.141 259 L HA -0.210 4.110 4.340 -0.034 0.000 0.209 259 L C 2.665 179.575 176.870 0.068 0.000 1.094 259 L CA 1.330 56.201 54.840 0.053 0.000 0.763 259 L CB -1.007 41.084 42.059 0.053 0.000 0.908 259 L HN 0.518 nan 8.230 nan 0.000 0.437 260 H N 0.584 119.656 119.070 0.003 0.000 2.353 260 H HA -0.223 4.313 4.556 -0.034 0.000 0.300 260 H C 2.114 177.442 175.328 0.000 0.000 1.090 260 H CA 2.046 58.093 56.048 -0.002 0.000 1.327 260 H CB 0.358 30.118 29.762 -0.003 0.000 1.383 260 H HN 0.428 nan 8.280 nan 0.000 0.508 261 E N 0.637 120.781 120.200 -0.093 0.000 2.107 261 E HA -0.061 4.269 4.350 -0.034 0.000 0.191 261 E C 0.127 176.667 176.600 -0.100 0.000 0.982 261 E CA 0.635 56.957 56.400 -0.130 0.000 0.809 261 E CB 0.327 30.018 29.700 -0.016 0.000 0.756 261 E HN 0.313 nan 8.360 nan 0.000 0.459 262 K N 0.928 121.298 120.400 -0.050 0.000 2.679 262 K HA 0.202 4.502 4.320 -0.034 0.000 0.188 262 K C -2.253 174.336 176.600 -0.018 0.000 1.055 262 K CA -1.501 54.767 56.287 -0.031 0.000 1.006 262 K CB 1.768 34.262 32.500 -0.011 0.000 1.317 262 K HN 0.037 nan 8.250 nan 0.000 0.584 263 P HA -0.242 nan 4.420 nan 0.000 0.223 263 P C 0.917 178.221 177.300 0.007 0.000 1.144 263 P CA 1.157 64.252 63.100 -0.008 0.000 0.783 263 P CB 0.312 32.001 31.700 -0.019 0.000 0.771 264 E N 0.757 120.959 120.200 0.003 0.000 2.333 264 E HA -0.131 4.199 4.350 -0.034 0.000 0.198 264 E C 1.658 178.271 176.600 0.021 0.000 1.007 264 E CA 0.775 57.182 56.400 0.012 0.000 0.845 264 E CB -1.068 28.637 29.700 0.008 0.000 0.766 264 E HN 0.342 nan 8.360 nan 0.000 0.507 265 L N 0.487 121.723 121.223 0.021 0.000 2.591 265 L HA 0.139 4.459 4.340 -0.034 0.000 0.228 265 L C 2.341 179.234 176.870 0.038 0.000 1.133 265 L CA -0.056 54.801 54.840 0.028 0.000 0.880 265 L CB -0.262 41.811 42.059 0.024 0.000 1.033 265 L HN 0.019 nan 8.230 nan 0.000 0.450 266 I N 0.755 121.349 120.570 0.040 0.000 2.163 266 I HA -0.206 3.944 4.170 -0.034 0.000 0.243 266 I C -0.245 175.913 176.117 0.068 0.000 1.085 266 I CA 1.514 62.845 61.300 0.052 0.000 1.347 266 I CB -1.176 36.854 38.000 0.049 0.000 1.044 266 I HN 0.211 nan 8.210 nan 0.000 0.408 267 P HA -0.202 nan 4.420 nan 0.000 0.215 267 P C 1.467 178.819 177.300 0.087 0.000 1.153 267 P CA 1.909 65.059 63.100 0.085 0.000 0.853 267 P CB -0.023 31.722 31.700 0.075 0.000 0.788 268 A N -0.370 122.491 122.820 0.068 0.000 1.930 268 A HA -0.058 4.242 4.320 -0.034 0.000 0.217 268 A C 2.474 180.093 177.584 0.057 0.000 1.175 268 A CA 1.981 54.056 52.037 0.063 0.000 0.627 268 A CB -1.848 17.181 19.000 0.047 0.000 0.815 268 A HN 0.272 nan 8.150 nan 0.000 0.443 269 G N -0.449 108.384 108.800 0.055 0.000 2.421 269 G HA2 -0.136 3.803 3.960 -0.034 0.000 0.216 269 G HA3 -0.136 3.803 3.960 -0.034 0.000 0.216 269 G C 1.506 176.451 174.900 0.074 0.000 1.171 269 G CA 1.255 46.386 45.100 0.051 0.000 0.775 269 G HN 0.312 nan 8.290 nan 0.000 0.543 270 V N 0.627 120.606 119.914 0.108 0.000 2.407 270 V HA -0.147 3.952 4.120 -0.034 0.000 0.248 270 V C 2.708 178.890 176.094 0.145 0.000 1.055 270 V CA 2.217 64.622 62.300 0.176 0.000 1.049 270 V CB -0.319 31.630 31.823 0.210 0.000 0.662 270 V HN 0.344 nan 8.190 nan 0.000 0.455 271 E N 0.055 120.320 120.200 0.109 0.000 2.077 271 E HA -0.184 4.146 4.350 -0.034 0.000 0.193 271 E C 2.289 178.863 176.600 -0.043 0.000 0.989 271 E CA 1.108 57.559 56.400 0.086 0.000 0.800 271 E CB -0.167 29.622 29.700 0.149 0.000 0.746 271 E HN 0.502 nan 8.360 nan 0.000 0.452 272 E N -0.152 120.030 120.200 -0.031 0.000 2.106 272 E HA -0.106 4.224 4.350 -0.034 0.000 0.192 272 E C 2.237 178.775 176.600 -0.104 0.000 0.984 272 E CA 0.548 56.884 56.400 -0.107 0.000 0.806 272 E CB -0.160 29.498 29.700 -0.070 0.000 0.750 272 E HN 0.338 nan 8.360 nan 0.000 0.458 273 L N 0.424 121.654 121.223 0.012 0.000 2.083 273 L HA -0.170 4.150 4.340 -0.034 0.000 0.209 273 L C 2.558 179.546 176.870 0.198 0.000 1.083 273 L CA 0.680 55.587 54.840 0.112 0.000 0.752 273 L CB -0.392 41.771 42.059 0.174 0.000 0.899 273 L HN 0.101 nan 8.230 nan 0.000 0.433 274 L N -0.581 120.651 121.223 0.016 0.000 2.017 274 L HA -0.231 4.089 4.340 -0.034 0.000 0.208 274 L C 2.867 179.415 176.870 -0.537 0.000 1.073 274 L CA 1.295 55.879 54.840 -0.427 0.000 0.745 274 L CB -0.476 41.131 42.059 -0.752 0.000 0.894 274 L HN 0.227 nan 8.230 nan 0.000 0.432 275 R N 0.981 121.105 120.500 -0.627 0.000 2.091 275 R HA -0.192 4.128 4.340 -0.034 0.000 0.238 275 R C 2.095 178.160 176.300 -0.391 0.000 1.136 275 R CA 2.010 57.763 56.100 -0.578 0.000 0.959 275 R CB -0.339 29.595 30.300 -0.610 0.000 0.856 275 R HN 0.553 nan 8.270 nan 0.000 0.437 276 I N -0.429 119.962 120.570 -0.298 0.000 3.812 276 I HA 0.108 4.258 4.170 -0.034 0.000 0.320 276 I C -0.222 176.011 176.117 0.193 0.000 1.276 276 I CA -0.517 60.660 61.300 -0.204 0.000 1.164 276 I CB -0.522 37.369 38.000 -0.181 0.000 1.009 276 I HN 0.034 nan 8.210 nan 0.000 0.431 277 N N 1.778 120.556 118.700 0.131 0.000 2.513 277 N HA 0.144 4.864 4.740 -0.034 0.000 0.268 277 N C 0.015 175.655 175.510 0.218 0.000 1.180 277 N CA -0.219 52.963 53.050 0.221 0.000 0.948 277 N CB 0.926 39.614 38.487 0.335 0.000 1.083 277 N HN 0.351 nan 8.380 nan 0.000 0.455 278 L N 2.020 123.358 121.223 0.191 0.000 2.872 278 L HA 0.157 4.476 4.340 -0.034 0.000 0.245 278 L C 1.815 178.776 176.870 0.152 0.000 1.211 278 L CA -0.247 54.670 54.840 0.128 0.000 1.013 278 L CB -0.351 41.719 42.059 0.019 0.000 1.326 278 L HN 0.837 nan 8.230 nan 0.000 0.525 279 S N 0.020 115.857 115.700 0.228 0.000 2.382 279 S HA -0.114 4.336 4.470 -0.034 0.000 0.228 279 S C 0.700 175.403 174.600 0.172 0.000 1.027 279 S CA 0.619 58.954 58.200 0.225 0.000 0.991 279 S CB -0.390 62.975 63.200 0.276 0.000 0.823 279 S HN 0.192 nan 8.310 nan 0.000 0.469 280 F N 2.075 122.043 119.950 0.030 0.000 2.471 280 F HA 0.576 5.081 4.527 -0.037 0.000 0.365 280 F C 1.426 177.223 175.800 -0.005 0.000 1.095 280 F CA -0.520 57.480 58.000 0.001 0.000 1.174 280 F CB 0.710 39.696 39.000 -0.024 0.000 1.105 280 F HN 0.227 nan 8.300 nan 0.000 0.535 281 A N 2.372 125.222 122.820 0.049 0.000 2.067 281 A HA 0.031 4.330 4.320 -0.034 0.000 0.217 281 A C 0.458 178.044 177.584 0.003 0.000 1.156 281 A CA 0.789 52.844 52.037 0.030 0.000 0.683 281 A CB -0.255 18.763 19.000 0.030 0.000 0.808 281 A HN 0.595 nan 8.150 nan 0.000 0.455 282 D N -1.518 118.898 120.400 0.027 0.000 2.490 282 D HA 0.458 5.078 4.640 -0.034 0.000 0.232 282 D C 0.196 176.514 176.300 0.028 0.000 1.053 282 D CA -0.060 53.934 54.000 -0.012 0.000 0.914 282 D CB 1.382 42.170 40.800 -0.020 0.000 1.431 282 D HN 0.148 nan 8.370 nan 0.000 0.483 283 G N 0.149 108.930 108.800 -0.032 0.000 2.614 283 G HA2 0.301 4.240 3.960 -0.034 0.000 0.239 283 G HA3 0.301 4.240 3.960 -0.034 0.000 0.239 283 G C 0.231 175.138 174.900 0.011 0.000 1.240 283 G CA -0.423 44.665 45.100 -0.020 0.000 0.842 283 G HN 0.364 nan 8.290 nan 0.000 0.584 284 L N 3.003 124.224 121.223 -0.004 0.000 2.418 284 L HA 0.232 4.551 4.340 -0.034 0.000 0.274 284 L C -1.660 175.202 176.870 -0.013 0.000 1.135 284 L CA -1.472 53.369 54.840 0.002 0.000 0.870 284 L CB 1.054 43.091 42.059 -0.036 0.000 1.154 284 L HN 0.354 nan 8.230 nan 0.000 0.462 285 P HA 0.372 nan 4.420 nan 0.000 0.284 285 P C -1.001 176.301 177.300 0.004 0.000 1.253 285 P CA -0.626 62.470 63.100 -0.007 0.000 0.800 285 P CB 1.566 33.258 31.700 -0.014 0.000 0.961 286 R N 1.798 122.319 120.500 0.035 0.000 2.698 286 R HA 0.548 4.868 4.340 -0.034 0.000 0.275 286 R C -1.051 175.331 176.300 0.136 0.000 1.001 286 R CA -1.116 55.038 56.100 0.090 0.000 0.896 286 R CB 1.685 32.065 30.300 0.134 0.000 1.218 286 R HN 0.427 nan 8.270 nan 0.000 0.462 287 L N 1.462 122.769 121.223 0.140 0.000 2.296 287 L HA 0.590 4.909 4.340 -0.034 0.000 0.286 287 L C -0.156 176.815 176.870 0.169 0.000 1.023 287 L CA -0.317 54.607 54.840 0.140 0.000 0.812 287 L CB 1.698 43.802 42.059 0.074 0.000 1.223 287 L HN 0.838 nan 8.230 nan 0.000 0.421 288 A N 2.333 125.274 122.820 0.201 0.000 2.488 288 A HA 0.391 4.691 4.320 -0.034 0.000 0.249 288 A C 0.953 178.526 177.584 -0.019 0.000 1.083 288 A CA 0.475 52.551 52.037 0.065 0.000 0.768 288 A CB -0.087 18.974 19.000 0.101 0.000 1.017 288 A HN 0.878 nan 8.150 nan 0.000 0.496 289 T N -0.998 113.493 114.554 -0.105 0.000 3.092 289 T HA 0.587 4.917 4.350 -0.034 0.000 0.258 289 T C 0.307 174.952 174.700 -0.091 0.000 1.031 289 T CA 0.537 62.594 62.100 -0.072 0.000 0.925 289 T CB -0.266 68.567 68.868 -0.058 0.000 1.036 289 T HN 1.719 nan 8.240 nan 0.000 0.544 290 A N 0.555 123.294 122.820 -0.134 0.000 2.599 290 A HA 0.619 4.919 4.320 -0.034 0.000 0.290 290 A C -1.888 175.627 177.584 -0.115 0.000 1.101 290 A CA -0.951 51.015 52.037 -0.117 0.000 0.674 290 A CB 0.773 19.688 19.000 -0.142 0.000 1.277 290 A HN 0.180 nan 8.150 nan 0.000 0.419 291 D N 0.891 121.245 120.400 -0.076 0.000 2.317 291 D HA 0.554 5.174 4.640 -0.034 0.000 0.252 291 D C -0.652 175.598 176.300 -0.082 0.000 1.174 291 D CA 0.852 54.818 54.000 -0.056 0.000 0.866 291 D CB 0.661 41.444 40.800 -0.029 0.000 1.127 291 D HN 0.400 nan 8.370 nan 0.000 0.467 292 I N 1.745 122.269 120.570 -0.076 0.000 2.534 292 I HA 0.091 4.240 4.170 -0.034 0.000 0.288 292 I C -0.201 175.921 176.117 0.008 0.000 1.077 292 I CA -1.027 60.235 61.300 -0.064 0.000 1.051 292 I CB 2.163 40.048 38.000 -0.192 0.000 1.234 292 I HN 0.010 nan 8.210 nan 0.000 0.425 293 Q N 4.991 124.788 119.800 -0.005 0.000 2.293 293 Q HA 0.399 4.718 4.340 -0.034 0.000 0.263 293 Q C -1.308 174.693 176.000 0.003 0.000 1.002 293 Q CA 0.116 55.906 55.803 -0.022 0.000 0.910 293 Q CB 1.054 29.776 28.738 -0.026 0.000 1.185 293 Q HN 0.489 nan 8.270 nan 0.000 0.401 294 V N 5.509 125.390 119.914 -0.054 0.000 2.380 294 V HA 0.640 4.740 4.120 -0.034 0.000 0.286 294 V C 0.824 176.855 176.094 -0.105 0.000 1.015 294 V CA 0.043 62.301 62.300 -0.069 0.000 0.834 294 V CB 0.493 32.245 31.823 -0.117 0.000 1.009 294 V HN 1.058 nan 8.190 nan 0.000 0.428 295 G N 4.922 113.683 108.800 -0.064 0.000 2.634 295 G HA2 -0.303 3.637 3.960 -0.034 0.000 0.309 295 G HA3 -0.303 3.637 3.960 -0.034 0.000 0.309 295 G C 0.459 175.320 174.900 -0.065 0.000 1.265 295 G CA 0.770 45.837 45.100 -0.055 0.000 0.998 295 G HN 0.625 nan 8.290 nan 0.000 0.551 296 D N 0.325 120.684 120.400 -0.068 0.000 2.349 296 D HA 0.258 4.877 4.640 -0.034 0.000 0.224 296 D C 0.815 177.049 176.300 -0.109 0.000 1.029 296 D CA 0.682 54.643 54.000 -0.064 0.000 0.879 296 D CB 0.325 41.105 40.800 -0.034 0.000 0.906 296 D HN 0.292 nan 8.370 nan 0.000 0.528 297 V N 1.612 121.409 119.914 -0.195 0.000 2.459 297 V HA 0.202 4.302 4.120 -0.034 0.000 0.295 297 V C -0.272 175.645 176.094 -0.296 0.000 1.029 297 V CA -1.025 61.071 62.300 -0.340 0.000 0.874 297 V CB 2.379 33.771 31.823 -0.719 0.000 0.985 297 V HN -0.097 nan 8.190 nan 0.000 0.438 298 L N 7.103 128.194 121.223 -0.220 0.000 2.282 298 L HA 0.442 4.762 4.340 -0.034 0.000 0.287 298 L C -0.079 176.688 176.870 -0.172 0.000 1.075 298 L CA 0.396 55.151 54.840 -0.143 0.000 0.839 298 L CB 0.948 42.968 42.059 -0.064 0.000 1.219 298 L HN 0.459 nan 8.230 nan 0.000 0.434 299 V N 5.990 125.793 119.914 -0.186 0.000 2.572 299 V HA 0.264 4.364 4.120 -0.034 0.000 0.291 299 V C 0.715 176.838 176.094 0.048 0.000 1.039 299 V CA -0.322 61.915 62.300 -0.106 0.000 1.055 299 V CB 0.793 32.619 31.823 0.005 0.000 0.969 299 V HN 0.781 nan 8.190 nan 0.000 0.482 300 R N 3.935 124.519 120.500 0.140 0.000 2.500 300 R HA 0.338 4.658 4.340 -0.034 0.000 0.277 300 R C 0.269 176.624 176.300 0.093 0.000 1.026 300 R CA -0.818 55.343 56.100 0.102 0.000 1.058 300 R CB 0.730 31.100 30.300 0.117 0.000 1.078 300 R HN 0.735 nan 8.270 nan 0.000 0.509 301 K N 1.763 122.187 120.400 0.040 0.000 2.511 301 K HA -0.063 4.237 4.320 -0.034 0.000 0.280 301 K C 0.386 177.016 176.600 0.051 0.000 1.008 301 K CA 1.605 57.907 56.287 0.024 0.000 1.050 301 K CB 0.086 32.586 32.500 -0.000 0.000 0.889 301 K HN 0.859 nan 8.250 nan 0.000 0.484 302 G N 2.728 111.561 108.800 0.055 0.000 2.195 302 G HA2 -0.243 3.697 3.960 -0.034 0.000 0.246 302 G HA3 -0.243 3.697 3.960 -0.034 0.000 0.246 302 G C -0.274 174.675 174.900 0.083 0.000 0.984 302 G CA 0.177 45.311 45.100 0.056 0.000 0.633 302 G HN 0.677 nan 8.290 nan 0.000 0.525 303 E N -0.266 120.016 120.200 0.136 0.000 2.319 303 E HA 0.564 4.894 4.350 -0.034 0.000 0.268 303 E C -0.233 176.482 176.600 0.191 0.000 1.050 303 E CA -0.852 55.654 56.400 0.177 0.000 0.878 303 E CB 1.735 31.628 29.700 0.321 0.000 1.066 303 E HN 0.193 nan 8.360 nan 0.000 0.406 304 L N 2.764 124.068 121.223 0.134 0.000 2.292 304 L HA 0.272 4.592 4.340 -0.034 0.000 0.284 304 L C -1.131 175.839 176.870 0.166 0.000 1.065 304 L CA -0.313 54.593 54.840 0.111 0.000 0.806 304 L CB 1.281 43.356 42.059 0.027 0.000 1.175 304 L HN 0.229 nan 8.230 nan 0.000 0.431 305 V N 6.326 126.330 119.914 0.149 0.000 2.604 305 V HA 0.478 4.578 4.120 -0.034 0.000 0.305 305 V C -0.310 175.799 176.094 0.024 0.000 1.043 305 V CA -0.642 61.726 62.300 0.113 0.000 0.888 305 V CB 1.791 33.616 31.823 0.004 0.000 0.995 305 V HN 0.582 nan 8.190 nan 0.000 0.429 306 L N 4.722 125.952 121.223 0.012 0.000 2.319 306 L HA 0.562 4.882 4.340 -0.034 0.000 0.281 306 L C -0.633 176.212 176.870 -0.042 0.000 1.005 306 L CA -0.757 54.069 54.840 -0.022 0.000 0.828 306 L CB 1.947 43.987 42.059 -0.031 0.000 1.227 306 L HN 0.359 nan 8.230 nan 0.000 0.415 307 V N 4.728 124.606 119.914 -0.059 0.000 2.353 307 V HA 0.166 4.266 4.120 -0.034 0.000 0.264 307 V C 0.094 176.154 176.094 -0.057 0.000 1.049 307 V CA -0.376 61.879 62.300 -0.075 0.000 0.896 307 V CB 1.458 33.222 31.823 -0.098 0.000 1.025 307 V HN 0.438 nan 8.190 nan 0.000 0.475 308 L N 6.200 127.399 121.223 -0.041 0.000 2.295 308 L HA 0.313 4.633 4.340 -0.034 0.000 0.288 308 L C 1.041 177.910 176.870 -0.001 0.000 1.079 308 L CA 0.558 55.383 54.840 -0.026 0.000 0.830 308 L CB 0.490 42.538 42.059 -0.018 0.000 1.200 308 L HN 0.560 nan 8.230 nan 0.000 0.438 309 L N 3.574 124.789 121.223 -0.013 0.000 2.042 309 L HA -0.158 4.161 4.340 -0.034 0.000 0.210 309 L C 2.259 179.191 176.870 0.102 0.000 1.076 309 L CA 1.411 56.249 54.840 -0.004 0.000 0.749 309 L CB -0.531 41.473 42.059 -0.091 0.000 0.893 309 L HN 0.779 nan 8.230 nan 0.000 0.432 310 E N 0.662 120.937 120.200 0.125 0.000 2.268 310 E HA -0.135 4.195 4.350 -0.034 0.000 0.195 310 E C 2.011 178.764 176.600 0.255 0.000 0.995 310 E CA 1.236 57.782 56.400 0.244 0.000 0.836 310 E CB -0.434 29.311 29.700 0.075 0.000 0.763 310 E HN 0.423 nan 8.360 nan 0.000 0.491 311 G N 1.838 110.730 108.800 0.153 0.000 2.459 311 G HA2 -0.237 3.703 3.960 -0.034 0.000 0.217 311 G HA3 -0.237 3.703 3.960 -0.034 0.000 0.217 311 G C 1.827 176.863 174.900 0.226 0.000 1.183 311 G CA 1.757 46.953 45.100 0.160 0.000 0.776 311 G HN 0.481 nan 8.290 nan 0.000 0.552 312 A N 1.136 124.077 122.820 0.200 0.000 1.877 312 A HA -0.085 4.215 4.320 -0.034 0.000 0.216 312 A C 2.239 180.110 177.584 0.479 0.000 1.186 312 A CA 1.931 54.132 52.037 0.274 0.000 0.620 312 A CB -0.443 18.615 19.000 0.096 0.000 0.822 312 A HN 0.351 nan 8.150 nan 0.000 0.443 313 N N -1.232 117.728 118.700 0.434 0.000 2.409 313 N HA 0.008 4.728 4.740 -0.034 0.000 0.179 313 N C 0.292 175.964 175.510 0.270 0.000 1.032 313 N CA 0.805 54.102 53.050 0.412 0.000 0.898 313 N CB -0.258 38.342 38.487 0.188 0.000 0.971 313 N HN 0.476 nan 8.380 nan 0.000 0.441 314 F N 0.403 120.490 119.950 0.230 0.000 2.647 314 F HA 0.189 4.696 4.527 -0.033 0.000 0.300 314 F C 0.602 176.526 175.800 0.207 0.000 1.106 314 F CA -0.944 57.165 58.000 0.181 0.000 1.313 314 F CB 0.142 39.205 39.000 0.106 0.000 1.007 314 F HN -0.231 nan 8.300 nan 0.000 0.536 315 D N 2.833 123.474 120.400 0.401 0.000 2.339 315 D HA 0.068 4.688 4.640 -0.034 0.000 0.256 315 D C -1.555 174.874 176.300 0.216 0.000 1.214 315 D CA -2.114 52.053 54.000 0.278 0.000 0.877 315 D CB 1.485 42.444 40.800 0.266 0.000 1.111 315 D HN 0.038 nan 8.370 nan 0.000 0.478 316 P HA -0.070 nan 4.420 nan 0.000 0.229 316 P C 0.674 178.003 177.300 0.049 0.000 1.160 316 P CA 0.503 63.669 63.100 0.111 0.000 0.777 316 P CB 0.588 32.344 31.700 0.093 0.000 0.814 317 E N -0.984 119.242 120.200 0.044 0.000 2.347 317 E HA -0.155 4.175 4.350 -0.034 0.000 0.196 317 E C 1.659 178.210 176.600 -0.081 0.000 1.008 317 E CA 0.978 57.377 56.400 -0.002 0.000 0.852 317 E CB -0.508 29.207 29.700 0.025 0.000 0.783 317 E HN 0.509 nan 8.360 nan 0.000 0.505 318 H N -1.597 117.314 119.070 -0.264 0.000 2.545 318 H HA 0.221 4.757 4.556 -0.033 0.000 0.283 318 H C -0.263 174.662 175.328 -0.673 0.000 0.997 318 H CA 0.268 55.938 56.048 -0.629 0.000 1.269 318 H CB 0.504 29.568 29.762 -1.164 0.000 1.451 318 H HN -0.102 nan 8.280 nan 0.000 0.508 319 F N 2.124 122.014 119.950 -0.099 0.000 2.564 319 F HA 0.358 4.864 4.527 -0.035 0.000 0.368 319 F C -2.430 173.332 175.800 -0.063 0.000 1.127 319 F CA -2.610 55.327 58.000 -0.105 0.000 1.170 319 F CB 1.394 40.365 39.000 -0.047 0.000 1.397 319 F HN -0.003 nan 8.300 nan 0.000 0.493 320 P HA -0.068 nan 4.420 nan 0.000 0.267 320 P C 0.079 177.414 177.300 0.058 0.000 1.200 320 P CA 0.282 63.411 63.100 0.048 0.000 0.772 320 P CB 0.446 32.151 31.700 0.009 0.000 0.855 321 N N 2.284 121.016 118.700 0.053 0.000 2.667 321 N HA -0.143 4.577 4.740 -0.034 0.000 0.263 321 N C -1.354 174.182 175.510 0.043 0.000 1.038 321 N CA 0.248 53.327 53.050 0.048 0.000 0.749 321 N CB -0.651 37.854 38.487 0.031 0.000 0.892 321 N HN 0.296 nan 8.380 nan 0.000 0.546 322 P HA -0.044 nan 4.420 nan 0.000 0.220 322 P C 1.379 178.620 177.300 -0.098 0.000 1.148 322 P CA 1.582 64.687 63.100 0.008 0.000 0.803 322 P CB -0.191 31.587 31.700 0.130 0.000 0.782 323 G N -0.663 108.181 108.800 0.074 0.000 2.744 323 G HA2 -0.038 3.902 3.960 -0.034 0.000 0.211 323 G HA3 -0.038 3.902 3.960 -0.034 0.000 0.211 323 G C 0.539 175.457 174.900 0.031 0.000 1.143 323 G CA 0.115 45.289 45.100 0.124 0.000 0.788 323 G HN 0.244 nan 8.290 nan 0.000 0.534 324 S N -0.150 115.544 115.700 -0.011 0.000 2.508 324 S HA 0.462 4.912 4.470 -0.034 0.000 0.284 324 S C -0.006 174.561 174.600 -0.054 0.000 1.192 324 S CA -0.478 57.714 58.200 -0.014 0.000 1.070 324 S CB 1.562 64.763 63.200 0.002 0.000 1.004 324 S HN 0.134 nan 8.310 nan 0.000 0.493 325 I N 3.536 124.083 120.570 -0.039 0.000 2.347 325 I HA 0.126 4.276 4.170 -0.034 0.000 0.294 325 I C 0.229 176.329 176.117 -0.028 0.000 1.090 325 I CA 0.331 61.603 61.300 -0.047 0.000 1.314 325 I CB 0.205 38.190 38.000 -0.025 0.000 1.423 325 I HN 0.549 nan 8.210 nan 0.000 0.503 326 E N 6.970 127.148 120.200 -0.036 0.000 2.191 326 E HA 0.284 4.614 4.350 -0.034 0.000 0.263 326 E C 0.209 176.804 176.600 -0.008 0.000 0.881 326 E CA -0.520 55.871 56.400 -0.015 0.000 0.757 326 E CB 2.139 31.833 29.700 -0.010 0.000 1.147 326 E HN 0.595 nan 8.360 nan 0.000 0.414 327 L N 1.932 123.157 121.223 0.004 0.000 2.599 327 L HA 0.001 4.321 4.340 -0.034 0.000 0.230 327 L C 0.590 177.472 176.870 0.019 0.000 1.141 327 L CA 0.488 55.336 54.840 0.013 0.000 0.877 327 L CB -0.244 41.825 42.059 0.017 0.000 1.009 327 L HN 0.479 nan 8.230 nan 0.000 0.447 328 D N -1.252 119.158 120.400 0.016 0.000 2.804 328 D HA 0.075 4.695 4.640 -0.034 0.000 0.308 328 D C 0.397 176.710 176.300 0.021 0.000 1.371 328 D CA -0.422 53.590 54.000 0.019 0.000 0.823 328 D CB 0.079 40.887 40.800 0.014 0.000 1.126 328 D HN 0.016 nan 8.370 nan 0.000 0.467 329 R N 1.302 121.819 120.500 0.029 0.000 2.643 329 R HA 0.211 4.530 4.340 -0.034 0.000 0.270 329 R C -1.292 175.032 176.300 0.040 0.000 1.061 329 R CA -0.940 55.185 56.100 0.041 0.000 1.107 329 R CB 0.583 30.928 30.300 0.074 0.000 0.999 329 R HN 0.058 nan 8.270 nan 0.000 0.460 330 P HA -0.048 nan 4.420 nan 0.000 0.245 330 P C -0.637 176.673 177.300 0.016 0.000 1.206 330 P CA 0.973 64.077 63.100 0.007 0.000 0.781 330 P CB 0.038 31.725 31.700 -0.021 0.000 0.994 331 N N -0.847 117.881 118.700 0.047 0.000 2.610 331 N HA 0.196 4.915 4.740 -0.034 0.000 0.307 331 N C -1.850 173.801 175.510 0.235 0.000 1.813 331 N CA -1.476 51.623 53.050 0.082 0.000 0.901 331 N CB 0.571 39.018 38.487 -0.066 0.000 1.354 331 N HN -0.054 nan 8.380 nan 0.000 0.491 332 P HA -0.122 nan 4.420 nan 0.000 0.221 332 P C 1.164 178.616 177.300 0.254 0.000 1.150 332 P CA 1.451 64.671 63.100 0.199 0.000 0.800 332 P CB 0.132 31.907 31.700 0.124 0.000 0.787 333 T N -3.735 110.925 114.554 0.178 0.000 3.086 333 T HA 0.083 4.413 4.350 -0.034 0.000 0.250 333 T C 1.492 176.144 174.700 -0.080 0.000 1.074 333 T CA 0.399 62.531 62.100 0.054 0.000 0.988 333 T CB -0.914 67.994 68.868 0.067 0.000 0.988 333 T HN 0.114 nan 8.240 nan 0.000 0.530 334 S N 1.096 116.899 115.700 0.172 0.000 2.660 334 S HA 0.042 4.492 4.470 -0.034 0.000 0.223 334 S C 0.665 175.526 174.600 0.435 0.000 0.963 334 S CA -0.531 57.827 58.200 0.262 0.000 0.932 334 S CB -1.125 62.285 63.200 0.349 0.000 0.775 334 S HN 0.903 nan 8.310 nan 0.000 0.531 335 H N 0.359 119.763 119.070 0.557 0.000 2.730 335 H HA 0.426 4.961 4.556 -0.034 0.000 0.376 335 H C 0.564 176.056 175.328 0.274 0.000 1.299 335 H CA -0.792 55.539 56.048 0.472 0.000 1.447 335 H CB 0.220 30.058 29.762 0.127 0.000 1.493 335 H HN 0.126 nan 8.280 nan 0.000 0.619 336 L N 0.913 122.350 121.223 0.358 0.000 2.872 336 L HA 0.315 4.634 4.340 -0.034 0.000 0.245 336 L C 1.866 178.775 176.870 0.064 0.000 1.211 336 L CA 0.263 55.194 54.840 0.152 0.000 1.013 336 L CB -0.253 41.816 42.059 0.017 0.000 1.326 336 L HN 0.893 nan 8.230 nan 0.000 0.525 337 A N 0.182 123.105 122.820 0.171 0.000 2.024 337 A HA -0.132 4.168 4.320 -0.034 0.000 0.220 337 A C 1.475 178.737 177.584 -0.537 0.000 1.164 337 A CA 1.553 53.400 52.037 -0.318 0.000 0.643 337 A CB -0.370 18.231 19.000 -0.664 0.000 0.806 337 A HN 0.402 nan 8.150 nan 0.000 0.451 338 F N -0.687 119.191 119.950 -0.120 0.000 2.647 338 F HA 0.443 4.950 4.527 -0.034 0.000 0.300 338 F C 1.542 177.073 175.800 -0.447 0.000 1.106 338 F CA 0.095 57.862 58.000 -0.388 0.000 1.313 338 F CB -0.244 38.403 39.000 -0.588 0.000 1.007 338 F HN 0.441 nan 8.300 nan 0.000 0.536 339 G N 1.230 109.971 108.800 -0.098 0.000 2.593 339 G HA2 -0.148 3.791 3.960 -0.034 0.000 0.237 339 G HA3 -0.148 3.791 3.960 -0.034 0.000 0.237 339 G C -0.637 174.396 174.900 0.221 0.000 1.312 339 G CA -0.369 44.722 45.100 -0.015 0.000 0.896 339 G HN 0.505 nan 8.290 nan 0.000 0.574 340 R N -1.067 119.576 120.500 0.237 0.000 2.644 340 R HA 0.649 4.969 4.340 -0.034 0.000 0.257 340 R C 0.615 177.014 176.300 0.165 0.000 1.082 340 R CA 1.503 57.746 56.100 0.239 0.000 0.927 340 R CB 0.881 31.220 30.300 0.066 0.000 1.258 340 R HN 2.895 nan 8.270 nan 0.000 0.459 341 G N 2.203 111.070 108.800 0.112 0.000 2.499 341 G HA2 -0.354 3.586 3.960 -0.034 0.000 0.232 341 G HA3 -0.354 3.586 3.960 -0.034 0.000 0.232 341 G C 0.341 175.268 174.900 0.045 0.000 1.251 341 G CA 0.474 45.605 45.100 0.053 0.000 0.917 341 G HN 0.713 nan 8.290 nan 0.000 0.580 342 Q N -0.780 118.996 119.800 -0.040 0.000 2.197 342 Q HA -0.100 4.220 4.340 -0.034 0.000 0.207 342 Q C 1.886 177.700 176.000 -0.311 0.000 0.984 342 Q CA 2.677 58.352 55.803 -0.213 0.000 0.869 342 Q CB -0.232 28.296 28.738 -0.349 0.000 0.906 342 Q HN 0.725 nan 8.270 nan 0.000 0.426 343 H N -1.204 117.932 119.070 0.111 0.000 2.487 343 H HA 0.110 4.647 4.556 -0.031 0.000 0.290 343 H C -0.677 174.716 175.328 0.108 0.000 1.081 343 H CA -0.502 55.605 56.048 0.098 0.000 1.116 343 H CB -0.487 29.313 29.762 0.062 0.000 1.560 343 H HN 0.196 nan 8.280 nan 0.000 0.548 344 F N 2.074 122.067 119.950 0.072 0.000 2.629 344 F HA -0.072 4.435 4.527 -0.033 0.000 0.377 344 F C 0.901 176.742 175.800 0.067 0.000 1.101 344 F CA -0.419 57.618 58.000 0.061 0.000 1.301 344 F CB 0.439 39.453 39.000 0.024 0.000 1.062 344 F HN 0.160 nan 8.300 nan 0.000 0.583 345 C N 10.302 129.191 119.300 -0.685 0.000 2.517 345 C HA 0.088 4.528 4.460 -0.034 0.000 0.403 345 C C -0.742 174.104 174.990 -0.240 0.000 1.467 345 C CA -1.053 57.731 59.018 -0.390 0.000 1.542 345 C CB -0.381 27.142 27.740 -0.362 0.000 2.482 345 C HN 0.781 nan 8.230 nan 0.000 0.610 346 P HA 0.117 nan 4.420 nan 0.000 0.236 346 P C 0.961 178.289 177.300 0.047 0.000 1.177 346 P CA 1.239 64.390 63.100 0.085 0.000 0.773 346 P CB 0.029 31.854 31.700 0.209 0.000 0.878 347 G N 0.498 109.277 108.800 -0.036 0.000 3.434 347 G HA2 0.024 3.964 3.960 -0.034 0.000 0.258 347 G HA3 0.024 3.964 3.960 -0.034 0.000 0.258 347 G C 1.403 176.193 174.900 -0.183 0.000 1.128 347 G CA 0.443 45.527 45.100 -0.027 0.000 0.792 347 G HN 0.331 nan 8.290 nan 0.000 0.539 348 S N 0.975 116.410 115.700 -0.442 0.000 2.359 348 S HA -0.082 4.368 4.470 -0.034 0.000 0.224 348 S C 2.587 176.885 174.600 -0.504 0.000 1.035 348 S CA 1.482 59.051 58.200 -1.052 0.000 1.018 348 S CB -0.442 61.963 63.200 -1.325 0.000 0.876 348 S HN 0.470 nan 8.310 nan 0.000 0.448 349 A N 1.621 124.315 122.820 -0.210 0.000 1.902 349 A HA 0.112 4.411 4.320 -0.034 0.000 0.217 349 A C 2.260 179.842 177.584 -0.004 0.000 1.181 349 A CA 1.515 53.514 52.037 -0.064 0.000 0.623 349 A CB -0.880 18.111 19.000 -0.015 0.000 0.818 349 A HN 0.518 nan 8.150 nan 0.000 0.443 350 L N 0.032 121.253 121.223 -0.002 0.000 2.056 350 L HA -0.003 4.317 4.340 -0.034 0.000 0.207 350 L C 2.411 179.345 176.870 0.107 0.000 1.078 350 L CA 2.170 57.036 54.840 0.043 0.000 0.749 350 L CB -0.936 41.135 42.059 0.021 0.000 0.901 350 L HN 0.309 nan 8.230 nan 0.000 0.433 351 G N -1.034 107.829 108.800 0.105 0.000 2.418 351 G HA2 -0.239 3.701 3.960 -0.034 0.000 0.217 351 G HA3 -0.239 3.701 3.960 -0.034 0.000 0.217 351 G C 1.759 176.841 174.900 0.304 0.000 1.158 351 G CA 0.675 45.911 45.100 0.227 0.000 0.771 351 G HN 0.347 nan 8.290 nan 0.000 0.545 352 R N -0.403 120.245 120.500 0.246 0.000 2.083 352 R HA -0.035 4.285 4.340 -0.034 0.000 0.237 352 R C 2.705 179.135 176.300 0.216 0.000 1.137 352 R CA 1.360 57.611 56.100 0.252 0.000 0.951 352 R CB -0.230 30.184 30.300 0.190 0.000 0.851 352 R HN 0.143 nan 8.270 nan 0.000 0.434 353 R N 0.037 120.638 120.500 0.169 0.000 2.092 353 R HA -0.129 4.191 4.340 -0.034 0.000 0.231 353 R C 2.293 178.690 176.300 0.161 0.000 1.119 353 R CA 1.540 57.724 56.100 0.140 0.000 0.970 353 R CB -0.671 29.692 30.300 0.105 0.000 0.864 353 R HN 0.401 nan 8.270 nan 0.000 0.440 354 H N -0.469 118.664 119.070 0.106 0.000 2.319 354 H HA -0.082 4.454 4.556 -0.033 0.000 0.299 354 H C 1.450 176.840 175.328 0.104 0.000 1.092 354 H CA 1.930 58.032 56.048 0.091 0.000 1.302 354 H CB 0.064 29.892 29.762 0.110 0.000 1.373 354 H HN 0.275 nan 8.280 nan 0.000 0.497 355 A N 0.846 123.808 122.820 0.237 0.000 1.897 355 A HA -0.151 4.149 4.320 -0.034 0.000 0.215 355 A C 2.492 180.135 177.584 0.098 0.000 1.181 355 A CA 1.356 53.506 52.037 0.188 0.000 0.620 355 A CB -0.538 18.753 19.000 0.485 0.000 0.821 355 A HN 0.560 nan 8.150 nan 0.000 0.443 356 Q N -0.430 119.447 119.800 0.128 0.000 2.050 356 Q HA -0.118 4.202 4.340 -0.034 0.000 0.202 356 Q C 2.012 178.041 176.000 0.047 0.000 0.980 356 Q CA 1.736 57.594 55.803 0.092 0.000 0.840 356 Q CB -0.317 28.480 28.738 0.099 0.000 0.898 356 Q HN 0.735 nan 8.270 nan 0.000 0.424 357 I N 0.002 120.585 120.570 0.023 0.000 2.252 357 I HA -0.179 3.971 4.170 -0.034 0.000 0.245 357 I C 2.320 178.430 176.117 -0.013 0.000 1.102 357 I CA 1.036 62.336 61.300 0.001 0.000 1.385 357 I CB -0.609 37.388 38.000 -0.005 0.000 1.064 357 I HN 0.298 nan 8.210 nan 0.000 0.414 358 G N 1.275 110.026 108.800 -0.082 0.000 2.446 358 G HA2 -0.222 3.717 3.960 -0.034 0.000 0.217 358 G HA3 -0.222 3.717 3.960 -0.034 0.000 0.217 358 G C 1.696 176.675 174.900 0.132 0.000 1.168 358 G CA 0.762 45.855 45.100 -0.011 0.000 0.771 358 G HN 0.309 nan 8.290 nan 0.000 0.551 359 I N 0.285 120.891 120.570 0.060 0.000 2.252 359 I HA -0.108 4.042 4.170 -0.034 0.000 0.245 359 I C 2.651 178.793 176.117 0.042 0.000 1.102 359 I CA 1.349 62.683 61.300 0.056 0.000 1.385 359 I CB -0.212 37.814 38.000 0.044 0.000 1.064 359 I HN 0.293 nan 8.210 nan 0.000 0.414 360 E N 1.283 121.507 120.200 0.039 0.000 2.058 360 E HA -0.279 4.051 4.350 -0.034 0.000 0.194 360 E C 2.255 178.867 176.600 0.020 0.000 0.997 360 E CA 1.539 57.957 56.400 0.030 0.000 0.801 360 E CB -0.036 29.679 29.700 0.025 0.000 0.746 360 E HN 0.496 nan 8.360 nan 0.000 0.450 361 A N 1.070 123.903 122.820 0.021 0.000 1.898 361 A HA -0.133 4.167 4.320 -0.034 0.000 0.216 361 A C 2.197 179.740 177.584 -0.068 0.000 1.181 361 A CA 1.133 53.167 52.037 -0.004 0.000 0.620 361 A CB -0.674 18.344 19.000 0.030 0.000 0.819 361 A HN 0.409 nan 8.150 nan 0.000 0.442 362 L N -0.400 120.772 121.223 -0.084 0.000 2.046 362 L HA -0.118 4.202 4.340 -0.034 0.000 0.208 362 L C 2.325 179.109 176.870 -0.144 0.000 1.077 362 L CA 1.337 56.043 54.840 -0.222 0.000 0.747 362 L CB -0.194 41.717 42.059 -0.247 0.000 0.896 362 L HN 0.410 nan 8.230 nan 0.000 0.432 363 L N -0.394 120.802 121.223 -0.045 0.000 2.141 363 L HA -0.216 4.104 4.340 -0.034 0.000 0.209 363 L C 2.583 179.504 176.870 0.085 0.000 1.094 363 L CA 1.309 56.159 54.840 0.016 0.000 0.763 363 L CB -0.525 41.591 42.059 0.095 0.000 0.908 363 L HN 0.302 nan 8.230 nan 0.000 0.437 364 K N 0.242 120.677 120.400 0.059 0.000 2.062 364 K HA -0.133 4.167 4.320 -0.034 0.000 0.205 364 K C 2.145 178.739 176.600 -0.009 0.000 1.051 364 K CA 1.017 57.345 56.287 0.068 0.000 0.941 364 K CB 0.221 32.734 32.500 0.021 0.000 0.719 364 K HN 0.055 nan 8.250 nan 0.000 0.440 365 K N -0.229 120.113 120.400 -0.097 0.000 2.186 365 K HA 0.048 4.348 4.320 -0.034 0.000 0.202 365 K C 0.695 177.161 176.600 -0.224 0.000 1.052 365 K CA 0.840 57.027 56.287 -0.167 0.000 0.965 365 K CB 0.354 32.707 32.500 -0.246 0.000 0.746 365 K HN 0.265 nan 8.250 nan 0.000 0.457 366 M N 1.502 120.962 119.600 -0.233 0.000 2.952 366 M HA 0.143 4.603 4.480 -0.034 0.000 0.259 366 M C -2.044 174.172 176.300 -0.140 0.000 1.306 366 M CA -1.232 53.934 55.300 -0.222 0.000 0.626 366 M CB 1.693 34.080 32.600 -0.355 0.000 1.423 366 M HN -0.214 nan 8.290 nan 0.000 0.459 367 P HA -0.073 nan 4.420 nan 0.000 0.222 367 P C 1.142 178.325 177.300 -0.196 0.000 1.147 367 P CA 1.283 64.183 63.100 -0.333 0.000 0.790 367 P CB 0.138 31.488 31.700 -0.584 0.000 0.780 368 G N 0.158 108.918 108.800 -0.067 0.000 3.314 368 G HA2 0.102 4.042 3.960 -0.034 0.000 0.238 368 G HA3 0.102 4.042 3.960 -0.034 0.000 0.238 368 G C 0.216 175.145 174.900 0.049 0.000 1.184 368 G CA -0.181 44.914 45.100 -0.007 0.000 0.806 368 G HN 0.241 nan 8.290 nan 0.000 0.536 369 V N 0.704 120.645 119.914 0.045 0.000 2.720 369 V HA 0.309 4.409 4.120 -0.034 0.000 0.307 369 V C -0.533 175.589 176.094 0.047 0.000 1.071 369 V CA 0.393 62.741 62.300 0.080 0.000 1.199 369 V CB 1.365 33.192 31.823 0.007 0.000 0.900 369 V HN 0.328 nan 8.190 nan 0.000 0.494 370 D N 3.802 124.238 120.400 0.061 0.000 2.609 370 D HA 0.353 4.973 4.640 -0.034 0.000 0.239 370 D C -0.728 175.591 176.300 0.032 0.000 1.229 370 D CA -0.594 53.424 54.000 0.031 0.000 0.808 370 D CB 1.529 42.337 40.800 0.012 0.000 1.448 370 D HN 0.535 nan 8.370 nan 0.000 0.433 371 L N 1.242 122.478 121.223 0.021 0.000 2.485 371 L HA 0.350 4.669 4.340 -0.034 0.000 0.275 371 L C 1.294 178.164 176.870 0.001 0.000 1.207 371 L CA -0.005 54.844 54.840 0.016 0.000 0.855 371 L CB 0.808 42.877 42.059 0.017 0.000 1.114 371 L HN 0.622 nan 8.230 nan 0.000 0.485 372 A N 3.397 126.214 122.820 -0.005 0.000 2.308 372 A HA 0.349 4.649 4.320 -0.034 0.000 0.217 372 A C 0.235 177.804 177.584 -0.025 0.000 1.216 372 A CA 0.158 52.179 52.037 -0.026 0.000 0.864 372 A CB 0.087 19.064 19.000 -0.037 0.000 0.902 372 A HN 0.495 nan 8.150 nan 0.000 0.499 373 V N -4.372 115.533 119.914 -0.014 0.000 3.040 373 V HA 0.671 4.771 4.120 -0.034 0.000 0.312 373 V C -3.335 172.759 176.094 0.001 0.000 1.115 373 V CA -2.855 59.438 62.300 -0.011 0.000 0.998 373 V CB 1.283 33.096 31.823 -0.016 0.000 1.042 373 V HN 0.015 nan 8.190 nan 0.000 0.433 374 P HA 0.255 nan 4.420 nan 0.000 0.266 374 P C 0.916 178.236 177.300 0.033 0.000 1.195 374 P CA 0.140 63.251 63.100 0.018 0.000 0.768 374 P CB 0.623 32.333 31.700 0.017 0.000 0.838 375 I N 1.731 122.331 120.570 0.050 0.000 2.361 375 I HA -0.262 3.888 4.170 -0.034 0.000 0.251 375 I C 1.003 177.190 176.117 0.116 0.000 1.133 375 I CA 1.686 63.036 61.300 0.083 0.000 1.413 375 I CB 0.014 38.071 38.000 0.097 0.000 1.073 375 I HN 0.258 nan 8.210 nan 0.000 0.424 376 D N 0.476 120.933 120.400 0.094 0.000 2.310 376 D HA -0.154 4.466 4.640 -0.034 0.000 0.212 376 D C 1.927 178.286 176.300 0.099 0.000 0.965 376 D CA 0.678 54.744 54.000 0.111 0.000 0.879 376 D CB -0.108 40.736 40.800 0.074 0.000 0.921 376 D HN 0.422 nan 8.370 nan 0.000 0.510 377 Q N -0.108 119.726 119.800 0.056 0.000 2.472 377 Q HA 0.084 4.403 4.340 -0.034 0.000 0.208 377 Q C 0.670 176.661 176.000 -0.016 0.000 0.958 377 Q CA 0.031 55.847 55.803 0.022 0.000 0.932 377 Q CB 0.214 28.954 28.738 0.003 0.000 1.007 377 Q HN 0.385 nan 8.270 nan 0.000 0.508 378 L N 0.885 122.092 121.223 -0.027 0.000 2.485 378 L HA 0.057 4.377 4.340 -0.034 0.000 0.275 378 L C 0.116 176.825 176.870 -0.267 0.000 1.207 378 L CA -0.221 54.494 54.840 -0.208 0.000 0.855 378 L CB 0.438 42.301 42.059 -0.327 0.000 1.114 378 L HN -0.216 nan 8.230 nan 0.000 0.485 379 V N 2.213 121.912 119.914 -0.358 0.000 2.333 379 V HA 0.173 4.273 4.120 -0.034 0.000 0.274 379 V C -0.537 175.356 176.094 -0.335 0.000 1.028 379 V CA -0.468 61.702 62.300 -0.217 0.000 0.851 379 V CB 0.740 32.484 31.823 -0.131 0.000 1.000 379 V HN 0.547 nan 8.190 nan 0.000 0.456 380 W N 4.506 125.801 121.300 -0.007 0.000 2.335 380 W HA 0.505 5.144 4.660 -0.035 0.000 0.306 380 W C 0.818 177.326 176.519 -0.017 0.000 1.216 380 W CA -0.514 56.827 57.345 -0.006 0.000 1.237 380 W CB 0.572 30.037 29.460 0.009 0.000 1.243 380 W HN 0.432 nan 8.180 nan 0.000 0.493 381 R N 2.489 123.071 120.500 0.137 0.000 2.522 381 R HA 0.116 4.436 4.340 -0.034 0.000 0.284 381 R C 0.396 176.772 176.300 0.126 0.000 1.032 381 R CA 0.368 56.490 56.100 0.036 0.000 1.049 381 R CB 0.407 30.626 30.300 -0.134 0.000 0.956 381 R HN 0.557 nan 8.270 nan 0.000 0.422 382 T N 1.430 116.040 114.554 0.094 0.000 2.944 382 T HA 0.342 4.672 4.350 -0.034 0.000 0.284 382 T C -0.041 174.743 174.700 0.139 0.000 1.010 382 T CA -0.978 61.191 62.100 0.116 0.000 1.025 382 T CB 1.230 70.148 68.868 0.084 0.000 1.079 382 T HN 0.784 nan 8.240 nan 0.000 0.516 383 R N -0.403 120.174 120.500 0.128 0.000 3.333 383 R HA -0.158 4.162 4.340 -0.034 0.000 0.256 383 R C -1.117 175.309 176.300 0.209 0.000 1.010 383 R CA 0.247 56.419 56.100 0.120 0.000 0.680 383 R CB -2.061 28.288 30.300 0.081 0.000 1.102 383 R HN 0.607 nan 8.270 nan 0.000 0.440 384 F N -0.752 119.207 119.950 0.014 0.000 2.603 384 F HA 0.221 4.728 4.527 -0.033 0.000 0.317 384 F C 1.268 177.070 175.800 0.003 0.000 1.066 384 F CA -1.003 57.008 58.000 0.017 0.000 0.941 384 F CB 1.604 40.621 39.000 0.028 0.000 1.291 384 F HN -0.119 nan 8.300 nan 0.000 0.472 385 Q N 1.503 120.988 119.800 -0.525 0.000 2.472 385 Q HA 0.110 4.430 4.340 -0.034 0.000 0.208 385 Q C -0.132 175.679 176.000 -0.315 0.000 0.958 385 Q CA 0.643 56.234 55.803 -0.354 0.000 0.932 385 Q CB 0.295 28.829 28.738 -0.340 0.000 1.007 385 Q HN 0.206 nan 8.270 nan 0.000 0.508 386 R N 0.186 120.604 120.500 -0.137 0.000 2.854 386 R HA 0.450 4.770 4.340 -0.034 0.000 0.271 386 R C -0.646 175.809 176.300 0.259 0.000 0.996 386 R CA -0.667 55.453 56.100 0.034 0.000 0.961 386 R CB 1.237 31.576 30.300 0.064 0.000 1.182 386 R HN 0.018 nan 8.270 nan 0.000 0.479 387 R N 2.124 122.747 120.500 0.204 0.000 2.229 387 R HA 0.572 4.892 4.340 -0.034 0.000 0.328 387 R C 0.043 176.586 176.300 0.403 0.000 1.009 387 R CA -0.341 55.935 56.100 0.294 0.000 0.864 387 R CB 0.657 31.059 30.300 0.170 0.000 1.085 387 R HN 0.579 nan 8.270 nan 0.000 0.453 388 I N -0.447 120.383 120.570 0.433 0.000 2.841 388 I HA 0.510 4.660 4.170 -0.034 0.000 0.298 388 I C -2.832 173.199 176.117 -0.144 0.000 1.304 388 I CA -2.988 58.435 61.300 0.205 0.000 1.019 388 I CB 2.868 40.906 38.000 0.063 0.000 1.282 388 I HN 0.358 nan 8.210 nan 0.000 0.432 389 P HA 0.210 nan 4.420 nan 0.000 0.279 389 P C -0.139 176.927 177.300 -0.391 0.000 1.239 389 P CA 0.017 62.611 63.100 -0.844 0.000 0.789 389 P CB 1.464 32.605 31.700 -0.931 0.000 0.933 390 E N 2.211 122.218 120.200 -0.322 0.000 2.110 390 E HA -0.096 4.234 4.350 -0.034 0.000 0.193 390 E C 0.451 176.961 176.600 -0.149 0.000 0.988 390 E CA 1.309 57.593 56.400 -0.193 0.000 0.804 390 E CB 0.167 29.775 29.700 -0.153 0.000 0.745 390 E HN 0.534 nan 8.360 nan 0.000 0.458 391 R N -0.316 120.081 120.500 -0.171 0.000 2.725 391 R HA 0.425 4.745 4.340 -0.034 0.000 0.277 391 R C -1.051 175.165 176.300 -0.140 0.000 0.987 391 R CA -0.771 55.259 56.100 -0.117 0.000 0.901 391 R CB 1.661 31.911 30.300 -0.083 0.000 1.207 391 R HN -0.114 nan 8.270 nan 0.000 0.463 392 L N 3.441 124.613 121.223 -0.086 0.000 2.457 392 L HA 0.476 4.796 4.340 -0.034 0.000 0.252 392 L C -2.664 174.191 176.870 -0.024 0.000 1.132 392 L CA -2.268 52.529 54.840 -0.072 0.000 0.938 392 L CB 1.148 43.174 42.059 -0.054 0.000 1.246 392 L HN 0.397 nan 8.230 nan 0.000 0.476 393 P HA 0.328 nan 4.420 nan 0.000 0.282 393 P C -0.825 176.488 177.300 0.022 0.000 1.262 393 P CA -0.042 63.060 63.100 0.002 0.000 0.773 393 P CB 1.267 32.958 31.700 -0.015 0.000 0.879 394 V N 2.121 122.075 119.914 0.067 0.000 3.074 394 V HA 0.841 4.941 4.120 -0.034 0.000 0.314 394 V C -0.712 175.460 176.094 0.130 0.000 1.117 394 V CA -1.087 61.272 62.300 0.099 0.000 1.014 394 V CB 1.755 33.654 31.823 0.126 0.000 1.057 394 V HN 0.346 nan 8.190 nan 0.000 0.438 395 L N -0.326 120.949 121.223 0.088 0.000 2.250 395 L HA 1.106 5.426 4.340 -0.034 0.000 0.252 395 L C -0.601 176.340 176.870 0.118 0.000 1.054 395 L CA -0.558 54.215 54.840 -0.111 0.000 0.856 395 L CB 1.361 43.263 42.059 -0.262 0.000 1.443 395 L HN 1.130 nan 8.230 nan 0.000 0.427 396 W N 0.000 121.261 121.300 -0.065 0.000 2.388 396 W HA 0.000 4.640 4.660 -0.034 0.000 0.303 396 W CA 0.000 57.300 57.345 -0.074 0.000 1.226 396 W CB 0.000 29.405 29.460 -0.091 0.000 1.126 396 W HN 0.000 nan 8.180 nan 0.000 0.535