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 2i6e_1_E DATA FIRST_RESID 16 DATA SEQUENCE PYRAGWIHFT NVAPILDSLE LPPGVTAITG VPTQXNAALL SGEVDIANVS DATA SEQUENCE AVEFIRHADT LAALPDFSVA VLGPVYSVNL FHTCPLPELR RVALTSQSAX DATA SEQUENCE SVALLEVLLR QKGLSPVLER AEGTAESLLA AGYDGVLRIG DDALREWYGV DATA SEQUENCE VGPLTPERTX TSLPHTGRGI TVTDLAQEWF DLTGHPFTFA VWAYRKDNPP DATA SEQUENCE PAALLQAXRE ARRRGIGHLA EVSQRHAEKL GLPERVVQHY LWNFRYHLEA DATA SEQUENCE PDRLGLREFA DLAVPGHAEL TF 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 16 P HA 0.000 nan 4.420 nan 0.000 0.216 16 P C 0.000 177.319 177.300 0.032 0.000 1.155 16 P CA 0.000 63.118 63.100 0.031 0.000 0.800 16 P CB 0.000 31.699 31.700 -0.002 0.000 0.726 17 Y N 2.515 122.789 120.300 -0.044 0.000 2.569 17 Y HA 0.210 4.760 4.550 -0.000 0.000 0.332 17 Y C 0.980 176.832 175.900 -0.080 0.000 1.120 17 Y CA 0.814 58.880 58.100 -0.057 0.000 1.416 17 Y CB 0.690 39.117 38.460 -0.054 0.000 1.210 17 Y HN 0.202 nan 8.280 nan 0.000 0.528 18 R N 3.268 123.573 120.500 -0.327 0.000 2.598 18 R HA 0.854 5.193 4.340 -0.000 0.000 0.279 18 R C -1.116 174.993 176.300 -0.319 0.000 0.984 18 R CA -0.744 55.202 56.100 -0.257 0.000 0.999 18 R CB 1.481 31.633 30.300 -0.247 0.000 1.114 18 R HN 0.667 nan 8.270 nan 0.000 0.493 19 A N 0.333 122.928 122.820 -0.375 0.000 2.486 19 A HA 0.718 5.038 4.320 -0.000 0.000 0.300 19 A C -0.874 176.259 177.584 -0.750 0.000 1.048 19 A CA -0.754 50.894 52.037 -0.650 0.000 0.696 19 A CB 2.015 20.425 19.000 -0.984 0.000 1.278 19 A HN 0.744 nan 8.150 nan 0.000 0.405 20 G N 0.806 109.201 108.800 -0.675 0.000 2.660 20 G HA2 0.529 4.488 3.960 -0.000 0.000 0.305 20 G HA3 0.529 4.488 3.960 -0.000 0.000 0.305 20 G C -0.780 173.993 174.900 -0.213 0.000 1.329 20 G CA -0.377 44.480 45.100 -0.405 0.000 1.000 20 G HN 0.615 nan 8.290 nan 0.000 0.514 21 W N 2.454 123.717 121.300 -0.062 0.000 2.365 21 W HA 0.507 5.167 4.660 -0.000 0.000 0.316 21 W C 0.219 176.614 176.519 -0.206 0.000 1.164 21 W CA -1.113 56.150 57.345 -0.137 0.000 1.204 21 W CB 1.814 31.172 29.460 -0.171 0.000 1.213 21 W HN 0.175 nan 8.180 nan 0.000 0.539 22 I N 4.158 124.701 120.570 -0.046 0.000 2.307 22 I HA 0.032 4.202 4.170 -0.000 0.000 0.287 22 I C 0.296 176.069 176.117 -0.573 0.000 1.054 22 I CA -0.741 60.328 61.300 -0.385 0.000 1.218 22 I CB 0.262 37.952 38.000 -0.518 0.000 1.398 22 I HN 0.419 nan 8.210 nan 0.000 0.475 23 H N 7.054 125.919 119.070 -0.342 0.000 3.220 23 H HA 0.171 4.727 4.556 -0.000 0.000 0.225 23 H C -0.362 174.874 175.328 -0.153 0.000 1.869 23 H CA 0.110 56.055 56.048 -0.171 0.000 1.428 23 H CB -0.342 29.412 29.762 -0.014 0.000 1.792 23 H HN 0.318 nan 8.280 nan 0.000 0.595 24 F N -1.259 118.755 119.950 0.107 0.000 2.375 24 F HA 0.171 4.698 4.527 -0.000 0.000 0.317 24 F C 2.080 177.911 175.800 0.052 0.000 1.124 24 F CA -1.090 56.964 58.000 0.091 0.000 1.050 24 F CB -0.121 38.909 39.000 0.051 0.000 1.314 24 F HN -0.063 nan 8.300 nan 0.000 0.511 25 T N 0.190 114.910 114.554 0.277 0.000 2.720 25 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 25 T C 1.640 176.389 174.700 0.082 0.000 1.037 25 T CA 1.819 63.949 62.100 0.049 0.000 1.144 25 T CB -0.598 68.364 68.868 0.157 0.000 0.864 25 T HN 0.670 nan 8.240 nan 0.000 0.444 26 N N 2.306 121.095 118.700 0.148 0.000 2.513 26 N HA -0.090 4.650 4.740 -0.000 0.000 0.187 26 N C 1.394 176.795 175.510 -0.182 0.000 1.056 26 N CA 1.276 54.195 53.050 -0.218 0.000 0.907 26 N CB -0.744 37.299 38.487 -0.741 0.000 0.954 26 N HN 0.495 nan 8.380 nan 0.000 0.445 27 V N -4.824 115.083 119.914 -0.012 0.000 3.427 27 V HA 0.585 4.705 4.120 -0.000 0.000 0.305 27 V C 2.021 178.065 176.094 -0.084 0.000 1.412 27 V CA 0.035 62.328 62.300 -0.013 0.000 1.086 27 V CB -0.420 31.460 31.823 0.096 0.000 0.964 27 V HN 0.257 nan 8.190 nan 0.000 0.439 28 A N 1.697 124.475 122.820 -0.070 0.000 1.892 28 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 28 A C 0.561 178.122 177.584 -0.038 0.000 1.188 28 A CA 2.416 54.431 52.037 -0.036 0.000 0.631 28 A CB -1.843 17.032 19.000 -0.208 0.000 0.822 28 A HN 0.604 nan 8.150 nan 0.000 0.447 29 P HA -0.129 nan 4.420 nan 0.000 0.218 29 P C 1.131 178.306 177.300 -0.209 0.000 1.146 29 P CA 1.054 64.075 63.100 -0.131 0.000 0.813 29 P CB -0.045 31.533 31.700 -0.204 0.000 0.778 30 I N -2.607 117.783 120.570 -0.299 0.000 2.927 30 I HA -0.034 4.136 4.170 -0.000 0.000 0.268 30 I C 2.014 177.978 176.117 -0.254 0.000 1.153 30 I CA 0.761 61.878 61.300 -0.306 0.000 1.459 30 I CB -0.171 37.584 38.000 -0.408 0.000 1.149 30 I HN -0.130 nan 8.210 nan 0.000 0.443 31 L N -0.108 120.988 121.223 -0.211 0.000 2.316 31 L HA 0.021 4.361 4.340 -0.000 0.000 0.207 31 L C 1.846 178.737 176.870 0.036 0.000 1.070 31 L CA 0.477 55.203 54.840 -0.190 0.000 0.820 31 L CB -0.507 41.333 42.059 -0.366 0.000 0.992 31 L HN 0.096 nan 8.230 nan 0.000 0.466 32 D N 0.596 121.062 120.400 0.110 0.000 2.191 32 D HA -0.216 4.424 4.640 -0.000 0.000 0.195 32 D C 2.021 178.365 176.300 0.072 0.000 1.003 32 D CA 1.985 56.069 54.000 0.141 0.000 0.867 32 D CB 0.025 40.926 40.800 0.168 0.000 0.926 32 D HN 0.314 nan 8.370 nan 0.000 0.450 33 S N -0.873 114.845 115.700 0.029 0.000 2.593 33 S HA 0.144 4.614 4.470 -0.000 0.000 0.236 33 S C 0.384 174.986 174.600 0.004 0.000 0.991 33 S CA -0.693 57.515 58.200 0.013 0.000 0.963 33 S CB -0.080 63.118 63.200 -0.003 0.000 0.865 33 S HN 0.092 nan 8.310 nan 0.000 0.488 34 L N 2.894 124.116 121.223 -0.001 0.000 2.490 34 L HA 0.331 4.671 4.340 -0.000 0.000 0.274 34 L C -0.268 176.626 176.870 0.039 0.000 1.201 34 L CA 1.010 55.846 54.840 -0.005 0.000 0.869 34 L CB 0.162 42.200 42.059 -0.036 0.000 1.123 34 L HN 0.283 nan 8.230 nan 0.000 0.484 35 E N 5.958 126.176 120.200 0.030 0.000 2.255 35 E HA 0.281 4.631 4.350 -0.000 0.000 0.245 35 E C -0.900 175.729 176.600 0.048 0.000 0.909 35 E CA -0.494 55.930 56.400 0.040 0.000 0.747 35 E CB 0.872 30.584 29.700 0.019 0.000 1.215 35 E HN 0.576 nan 8.360 nan 0.000 0.424 36 L N 5.280 126.551 121.223 0.080 0.000 2.601 36 L HA 0.049 4.389 4.340 -0.000 0.000 0.277 36 L C -1.424 175.473 176.870 0.044 0.000 1.219 36 L CA -0.987 53.903 54.840 0.083 0.000 0.915 36 L CB -0.487 41.633 42.059 0.102 0.000 1.160 36 L HN 0.281 nan 8.230 nan 0.000 0.494 37 P HA 0.192 nan 4.420 nan 0.000 0.274 37 P C -2.589 174.718 177.300 0.011 0.000 1.260 37 P CA -1.332 61.774 63.100 0.009 0.000 0.793 37 P CB -0.315 31.379 31.700 -0.010 0.000 1.048 38 P HA 0.118 nan 4.420 nan 0.000 0.276 38 P C 0.722 178.025 177.300 0.006 0.000 1.235 38 P CA 0.653 63.756 63.100 0.006 0.000 0.772 38 P CB 0.501 32.202 31.700 0.001 0.000 0.871 39 G N 2.009 110.817 108.800 0.014 0.000 2.376 39 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.208 39 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.208 39 G C -0.055 174.874 174.900 0.047 0.000 1.032 39 G CA 0.069 45.182 45.100 0.023 0.000 0.641 39 G HN 0.773 nan 8.290 nan 0.000 0.503 40 V N 1.221 121.166 119.914 0.051 0.000 2.612 40 V HA 0.953 5.073 4.120 -0.000 0.000 0.301 40 V C 0.199 176.321 176.094 0.046 0.000 1.046 40 V CA 0.824 63.175 62.300 0.085 0.000 0.946 40 V CB 1.505 33.391 31.823 0.105 0.000 1.003 40 V HN 1.356 nan 8.190 nan 0.000 0.459 41 T N 1.613 116.178 114.554 0.017 0.000 2.773 41 T HA 0.993 5.342 4.350 -0.000 0.000 0.278 41 T C -0.174 174.473 174.700 -0.088 0.000 1.011 41 T CA -0.411 61.678 62.100 -0.019 0.000 1.014 41 T CB 1.743 70.593 68.868 -0.031 0.000 1.293 41 T HN 2.156 nan 8.240 nan 0.000 0.554 42 A N 0.197 122.950 122.820 -0.111 0.000 2.599 42 A HA 0.866 5.186 4.320 -0.000 0.000 0.290 42 A C -1.361 176.122 177.584 -0.168 0.000 1.101 42 A CA -1.014 50.875 52.037 -0.248 0.000 0.674 42 A CB 1.084 19.876 19.000 -0.347 0.000 1.277 42 A HN 1.646 nan 8.150 nan 0.000 0.419 43 I N -2.310 118.127 120.570 -0.221 0.000 3.006 43 I HA 0.786 4.956 4.170 -0.000 0.000 0.306 43 I C -0.437 175.643 176.117 -0.062 0.000 1.250 43 I CA -0.718 60.521 61.300 -0.103 0.000 0.996 43 I CB 1.998 39.936 38.000 -0.102 0.000 1.261 43 I HN 0.519 nan 8.210 nan 0.000 0.442 44 T N 1.346 115.910 114.554 0.018 0.000 2.892 44 T HA 0.941 5.291 4.350 -0.000 0.000 0.280 44 T C 0.072 174.773 174.700 0.002 0.000 1.004 44 T CA -0.307 61.832 62.100 0.065 0.000 0.950 44 T CB 1.521 70.462 68.868 0.122 0.000 1.309 44 T HN 1.338 nan 8.240 nan 0.000 0.592 45 G N -0.517 108.278 108.800 -0.008 0.000 2.361 45 G HA2 0.376 4.336 3.960 -0.000 0.000 0.305 45 G HA3 0.376 4.336 3.960 -0.000 0.000 0.305 45 G C -1.004 173.860 174.900 -0.060 0.000 1.367 45 G CA -0.407 44.674 45.100 -0.031 0.000 0.951 45 G HN 1.025 nan 8.290 nan 0.000 0.615 46 V N -1.207 118.680 119.914 -0.045 0.000 2.904 46 V HA 0.653 4.772 4.120 -0.000 0.000 0.305 46 V C -0.643 175.434 176.094 -0.028 0.000 1.067 46 V CA -0.958 61.315 62.300 -0.045 0.000 1.044 46 V CB 1.027 32.847 31.823 -0.005 0.000 1.050 46 V HN 0.583 nan 8.190 nan 0.000 0.475 47 P HA -0.233 nan 4.420 nan 0.000 0.219 47 P C 1.781 179.093 177.300 0.020 0.000 1.159 47 P CA 2.767 65.891 63.100 0.040 0.000 0.944 47 P CB -0.246 31.523 31.700 0.114 0.000 0.792 48 T N -1.123 113.446 114.554 0.025 0.000 2.620 48 T HA -0.223 4.126 4.350 -0.000 0.000 0.267 48 T C 1.154 175.852 174.700 -0.002 0.000 1.044 48 T CA 1.388 63.498 62.100 0.016 0.000 1.161 48 T CB -0.667 68.213 68.868 0.020 0.000 0.862 48 T HN 0.201 nan 8.240 nan 0.000 0.438 52 A N 1.485 124.271 122.820 -0.056 0.000 1.940 52 A HA 0.151 4.471 4.320 -0.000 0.000 0.219 52 A C 2.193 179.745 177.584 -0.053 0.000 1.176 52 A CA 2.542 54.550 52.037 -0.048 0.000 0.631 52 A CB -0.726 18.258 19.000 -0.027 0.000 0.814 52 A HN 0.418 nan 8.150 nan 0.000 0.446 53 A N -0.593 122.192 122.820 -0.058 0.000 1.933 53 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 53 A C 2.130 179.667 177.584 -0.078 0.000 1.175 53 A CA 1.742 53.738 52.037 -0.068 0.000 0.628 53 A CB -0.499 18.455 19.000 -0.076 0.000 0.814 53 A HN 0.737 nan 8.150 nan 0.000 0.444 54 L N -0.588 120.588 121.223 -0.078 0.000 2.095 54 L HA 0.040 4.380 4.340 -0.000 0.000 0.204 54 L C 2.200 179.033 176.870 -0.061 0.000 1.080 54 L CA 1.438 56.234 54.840 -0.072 0.000 0.759 54 L CB -0.392 41.630 42.059 -0.062 0.000 0.914 54 L HN 0.357 nan 8.230 nan 0.000 0.439 55 L N -1.027 120.152 121.223 -0.073 0.000 2.083 55 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 55 L C 2.415 179.268 176.870 -0.028 0.000 1.083 55 L CA 1.219 56.026 54.840 -0.055 0.000 0.752 55 L CB -0.705 41.308 42.059 -0.076 0.000 0.899 55 L HN 0.258 nan 8.230 nan 0.000 0.433 56 S N -0.604 115.075 115.700 -0.036 0.000 2.343 56 S HA -0.002 4.468 4.470 -0.000 0.000 0.212 56 S C 1.519 176.098 174.600 -0.035 0.000 1.033 56 S CA 1.460 59.642 58.200 -0.030 0.000 1.004 56 S CB -0.277 62.902 63.200 -0.035 0.000 0.977 56 S HN 0.591 nan 8.310 nan 0.000 0.427 57 G N -0.244 108.524 108.800 -0.054 0.000 3.987 57 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.220 57 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.220 57 G C 0.532 175.376 174.900 -0.092 0.000 0.871 57 G CA 0.019 45.078 45.100 -0.068 0.000 0.881 57 G HN 0.231 nan 8.290 nan 0.000 0.674 58 E N 0.090 120.241 120.200 -0.083 0.000 2.171 58 E HA -0.017 4.333 4.350 -0.000 0.000 0.197 58 E C 0.779 177.302 176.600 -0.128 0.000 0.997 58 E CA 1.205 57.550 56.400 -0.092 0.000 0.810 58 E CB 0.193 29.847 29.700 -0.077 0.000 0.738 58 E HN 0.393 nan 8.360 nan 0.000 0.467 59 V N 1.298 121.126 119.914 -0.144 0.000 2.888 59 V HA 0.090 4.210 4.120 -0.000 0.000 0.309 59 V C -0.004 175.963 176.094 -0.211 0.000 1.114 59 V CA -0.621 61.562 62.300 -0.196 0.000 0.940 59 V CB 2.383 34.096 31.823 -0.183 0.000 1.021 59 V HN -0.131 nan 8.190 nan 0.000 0.426 60 D N 2.025 122.228 120.400 -0.329 0.000 2.355 60 D HA 0.300 4.940 4.640 -0.000 0.000 0.206 60 D C 0.179 176.418 176.300 -0.102 0.000 1.010 60 D CA 0.934 54.721 54.000 -0.355 0.000 0.875 60 D CB 1.497 41.705 40.800 -0.987 0.000 0.966 60 D HN 0.398 nan 8.370 nan 0.000 0.512 61 I N -0.253 120.277 120.570 -0.068 0.000 2.752 61 I HA 0.533 4.703 4.170 -0.000 0.000 0.295 61 I C -1.996 174.138 176.117 0.028 0.000 1.219 61 I CA -0.696 60.682 61.300 0.129 0.000 1.030 61 I CB 2.003 40.204 38.000 0.335 0.000 1.259 61 I HN -0.114 nan 8.210 nan 0.000 0.423 62 A N 4.614 127.500 122.820 0.109 0.000 2.612 62 A HA 0.479 4.799 4.320 -0.000 0.000 0.293 62 A C -1.658 175.864 177.584 -0.103 0.000 1.075 62 A CA -0.793 51.274 52.037 0.049 0.000 0.680 62 A CB 1.393 20.367 19.000 -0.044 0.000 1.279 62 A HN 0.693 nan 8.150 nan 0.000 0.411 63 N N 1.340 119.863 118.700 -0.295 0.000 2.719 63 N HA 0.360 5.100 4.740 -0.000 0.000 0.243 63 N C 0.002 175.304 175.510 -0.347 0.000 1.104 63 N CA 0.090 52.657 53.050 -0.805 0.000 0.981 63 N CB 0.737 38.359 38.487 -1.441 0.000 1.290 63 N HN 0.890 nan 8.380 nan 0.000 0.513 64 V N -0.005 119.779 119.914 -0.218 0.000 3.134 64 V HA 0.586 4.706 4.120 -0.000 0.000 0.313 64 V C 0.821 176.898 176.094 -0.028 0.000 1.069 64 V CA -1.037 61.222 62.300 -0.068 0.000 1.048 64 V CB 0.969 32.781 31.823 -0.018 0.000 1.119 64 V HN 0.631 nan 8.190 nan 0.000 0.461 65 S N 1.532 117.262 115.700 0.049 0.000 2.593 65 S HA 0.512 4.982 4.470 -0.000 0.000 0.269 65 S C 1.338 176.013 174.600 0.124 0.000 1.334 65 S CA 0.016 58.267 58.200 0.085 0.000 1.015 65 S CB 1.018 64.288 63.200 0.117 0.000 0.912 65 S HN 1.829 nan 8.310 nan 0.000 0.541 66 A N 1.848 124.737 122.820 0.114 0.000 1.908 66 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 66 A C 2.167 179.899 177.584 0.246 0.000 1.181 66 A CA 1.829 53.955 52.037 0.149 0.000 0.627 66 A CB -1.436 17.532 19.000 -0.054 0.000 0.818 66 A HN 0.904 nan 8.150 nan 0.000 0.445 67 V N -0.028 120.043 119.914 0.261 0.000 2.343 67 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 67 V C 2.548 178.757 176.094 0.191 0.000 1.051 67 V CA 2.396 64.859 62.300 0.271 0.000 1.036 67 V CB -0.880 31.106 31.823 0.271 0.000 0.654 67 V HN 0.695 nan 8.190 nan 0.000 0.451 68 E N 0.381 120.692 120.200 0.186 0.000 2.058 68 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 68 E C 1.907 178.643 176.600 0.227 0.000 0.997 68 E CA 1.720 58.224 56.400 0.174 0.000 0.801 68 E CB -0.468 29.292 29.700 0.100 0.000 0.746 68 E HN 0.519 nan 8.360 nan 0.000 0.450 69 F N 0.642 120.631 119.950 0.065 0.000 2.113 69 F HA -0.062 4.465 4.527 -0.000 0.000 0.297 69 F C 1.938 177.772 175.800 0.056 0.000 1.103 69 F CA 1.485 59.513 58.000 0.047 0.000 1.248 69 F CB -0.495 38.520 39.000 0.026 0.000 0.999 69 F HN 0.055 nan 8.300 nan 0.000 0.475 70 I N 0.475 120.932 120.570 -0.188 0.000 2.163 70 I HA -0.317 3.853 4.170 -0.000 0.000 0.243 70 I C 2.380 178.361 176.117 -0.226 0.000 1.085 70 I CA 1.527 62.614 61.300 -0.354 0.000 1.347 70 I CB -0.573 37.287 38.000 -0.233 0.000 1.044 70 I HN 0.053 nan 8.210 nan 0.000 0.408 71 R N -0.219 120.244 120.500 -0.062 0.000 2.328 71 R HA -0.106 4.234 4.340 -0.000 0.000 0.207 71 R C 0.416 176.536 176.300 -0.301 0.000 1.056 71 R CA 0.807 56.844 56.100 -0.105 0.000 1.016 71 R CB -0.227 30.060 30.300 -0.021 0.000 0.872 71 R HN 0.515 nan 8.270 nan 0.000 0.471 72 H N -2.046 116.941 119.070 -0.138 0.000 2.665 72 H HA 0.270 4.826 4.556 -0.000 0.000 0.248 72 H C 0.815 176.029 175.328 -0.190 0.000 1.175 72 H CA -0.004 55.978 56.048 -0.111 0.000 0.952 72 H CB 0.931 30.669 29.762 -0.040 0.000 1.883 72 H HN 0.101 nan 8.280 nan 0.000 0.623 73 A N 0.728 123.393 122.820 -0.258 0.000 2.186 73 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 73 A C 1.924 179.402 177.584 -0.176 0.000 1.159 73 A CA 1.714 53.522 52.037 -0.382 0.000 0.680 73 A CB -0.140 18.603 19.000 -0.429 0.000 0.787 73 A HN 0.603 nan 8.150 nan 0.000 0.467 74 D N -0.386 119.949 120.400 -0.108 0.000 2.120 74 D HA -0.143 4.497 4.640 -0.000 0.000 0.202 74 D C 1.713 177.998 176.300 -0.026 0.000 0.972 74 D CA 1.958 55.919 54.000 -0.065 0.000 0.837 74 D CB -1.099 39.664 40.800 -0.063 0.000 0.989 74 D HN 0.458 nan 8.370 nan 0.000 0.469 75 T N -1.825 112.734 114.554 0.007 0.000 3.037 75 T HA 0.276 4.626 4.350 -0.000 0.000 0.251 75 T C 1.141 175.869 174.700 0.046 0.000 1.079 75 T CA -0.296 61.827 62.100 0.038 0.000 1.067 75 T CB -0.007 68.900 68.868 0.065 0.000 0.948 75 T HN 0.027 nan 8.240 nan 0.000 0.496 76 L N 1.261 122.512 121.223 0.047 0.000 2.330 76 L HA 0.842 5.182 4.340 -0.000 0.000 0.271 76 L C -0.125 176.786 176.870 0.068 0.000 1.013 76 L CA -1.351 53.526 54.840 0.062 0.000 0.816 76 L CB 1.764 43.922 42.059 0.165 0.000 1.287 76 L HN 0.194 nan 8.230 nan 0.000 0.435 77 A N 1.365 124.091 122.820 -0.157 0.000 2.423 77 A HA 0.951 5.270 4.320 -0.000 0.000 0.304 77 A C -1.064 176.198 177.584 -0.537 0.000 1.104 77 A CA -0.500 51.375 52.037 -0.269 0.000 0.757 77 A CB 1.880 20.598 19.000 -0.469 0.000 1.313 77 A HN 0.756 nan 8.150 nan 0.000 0.423 78 A N 0.670 123.300 122.820 -0.317 0.000 2.374 78 A HA 0.699 5.018 4.320 -0.000 0.000 0.317 78 A C -0.356 177.351 177.584 0.204 0.000 1.094 78 A CA -0.590 51.306 52.037 -0.236 0.000 0.765 78 A CB 0.565 19.228 19.000 -0.561 0.000 1.268 78 A HN 0.874 nan 8.150 nan 0.000 0.438 79 L N 2.624 124.044 121.223 0.328 0.000 2.506 79 L HA 0.134 4.474 4.340 -0.000 0.000 0.281 79 L C -0.928 176.114 176.870 0.287 0.000 1.228 79 L CA -0.982 54.084 54.840 0.375 0.000 0.850 79 L CB 0.639 42.894 42.059 0.327 0.000 1.110 79 L HN 0.647 nan 8.230 nan 0.000 0.496 80 P HA -0.078 nan 4.420 nan 0.000 0.230 80 P C 0.229 177.515 177.300 -0.025 0.000 1.168 80 P CA 0.873 64.020 63.100 0.079 0.000 0.793 80 P CB 0.240 32.013 31.700 0.121 0.000 0.851 81 D N -1.436 118.988 120.400 0.040 0.000 2.501 81 D HA 0.103 4.743 4.640 -0.000 0.000 0.224 81 D C -0.510 175.571 176.300 -0.365 0.000 1.202 81 D CA -0.499 53.423 54.000 -0.130 0.000 0.829 81 D CB -0.506 40.193 40.800 -0.168 0.000 1.023 81 D HN 0.077 nan 8.370 nan 0.000 0.499 82 F N 1.411 121.291 119.950 -0.117 0.000 2.507 82 F HA 0.470 4.996 4.527 -0.000 0.000 0.325 82 F C 0.309 176.170 175.800 0.101 0.000 1.116 82 F CA -0.440 57.479 58.000 -0.135 0.000 0.930 82 F CB 2.286 41.089 39.000 -0.329 0.000 1.146 82 F HN -0.046 nan 8.300 nan 0.000 0.447 83 S N 1.192 117.073 115.700 0.302 0.000 2.611 83 S HA 0.804 5.274 4.470 -0.000 0.000 0.268 83 S C -1.961 172.850 174.600 0.351 0.000 1.156 83 S CA -0.878 57.504 58.200 0.303 0.000 0.817 83 S CB 1.830 65.086 63.200 0.093 0.000 1.122 83 S HN 0.315 nan 8.310 nan 0.000 0.466 84 V N 1.215 121.259 119.914 0.218 0.000 2.385 84 V HA 0.833 4.953 4.120 -0.000 0.000 0.277 84 V C 0.197 176.372 176.094 0.135 0.000 1.012 84 V CA 0.421 62.791 62.300 0.116 0.000 0.832 84 V CB 0.212 32.045 31.823 0.016 0.000 1.028 84 V HN 1.356 nan 8.190 nan 0.000 0.436 85 A N 4.319 127.218 122.820 0.132 0.000 2.552 85 A HA 1.060 5.380 4.320 -0.000 0.000 0.288 85 A C -0.816 176.863 177.584 0.160 0.000 1.193 85 A CA -0.297 51.830 52.037 0.150 0.000 0.713 85 A CB 2.502 21.498 19.000 -0.006 0.000 1.305 85 A HN 1.595 nan 8.150 nan 0.000 0.424 86 V N -2.970 117.006 119.914 0.103 0.000 3.282 86 V HA 0.814 4.934 4.120 -0.000 0.000 0.295 86 V C -1.851 174.252 176.094 0.014 0.000 1.451 86 V CA -0.731 61.558 62.300 -0.018 0.000 1.062 86 V CB 1.531 33.300 31.823 -0.088 0.000 1.128 86 V HN 1.615 nan 8.190 nan 0.000 0.456 87 L N 2.383 123.567 121.223 -0.066 0.000 2.372 87 L HA 0.985 5.325 4.340 -0.000 0.000 0.273 87 L C 0.287 177.054 176.870 -0.172 0.000 0.989 87 L CA 1.492 56.299 54.840 -0.056 0.000 0.841 87 L CB 0.716 42.716 42.059 -0.098 0.000 1.225 87 L HN 2.129 nan 8.230 nan 0.000 0.414 88 G N 4.688 113.404 108.800 -0.140 0.000 2.416 88 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.203 88 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.203 88 G C -3.057 171.749 174.900 -0.157 0.000 1.227 88 G CA -0.391 44.579 45.100 -0.217 0.000 1.041 88 G HN 0.609 nan 8.290 nan 0.000 0.546 89 P HA 0.382 nan 4.420 nan 0.000 0.272 89 P C 0.469 177.456 177.300 -0.522 0.000 1.223 89 P CA 0.593 63.387 63.100 -0.509 0.000 0.784 89 P CB 1.879 33.039 31.700 -0.901 0.000 0.923 90 V N 2.383 122.020 119.914 -0.461 0.000 3.604 90 V HA 0.026 4.146 4.120 -0.000 0.000 0.277 90 V C 0.558 176.597 176.094 -0.093 0.000 1.399 90 V CA 0.285 62.419 62.300 -0.277 0.000 1.034 90 V CB -1.190 30.541 31.823 -0.153 0.000 0.824 90 V HN 0.515 nan 8.190 nan 0.000 0.439 91 Y N 0.728 120.845 120.300 -0.305 0.000 4.885 91 Y HA -0.287 4.263 4.550 -0.000 0.000 0.251 91 Y C 1.556 177.275 175.900 -0.301 0.000 0.969 91 Y CA 1.232 59.037 58.100 -0.492 0.000 1.930 91 Y CB -2.255 35.866 38.460 -0.565 0.000 1.403 91 Y HN 0.578 nan 8.280 nan 0.000 0.507 92 S N -2.011 113.683 115.700 -0.010 0.000 2.846 92 S HA 0.566 5.036 4.470 -0.000 0.000 0.249 92 S C -0.342 174.189 174.600 -0.115 0.000 1.028 92 S CA 0.189 58.385 58.200 -0.007 0.000 1.043 92 S CB 0.531 63.803 63.200 0.120 0.000 0.990 92 S HN 0.095 nan 8.310 nan 0.000 0.564 93 V N 2.433 122.235 119.914 -0.187 0.000 2.465 93 V HA 0.452 4.572 4.120 -0.000 0.000 0.263 93 V C -1.005 175.006 176.094 -0.139 0.000 0.981 93 V CA -0.671 61.509 62.300 -0.199 0.000 0.838 93 V CB 0.257 31.866 31.823 -0.357 0.000 1.068 93 V HN 0.449 nan 8.190 nan 0.000 0.458 94 N N 2.747 121.403 118.700 -0.073 0.000 2.335 94 N HA 0.781 5.521 4.740 -0.000 0.000 0.304 94 N C -1.274 174.199 175.510 -0.061 0.000 1.135 94 N CA -0.845 52.120 53.050 -0.141 0.000 0.817 94 N CB 2.780 41.079 38.487 -0.313 0.000 1.294 94 N HN 0.417 nan 8.380 nan 0.000 0.497 95 L N 2.078 123.229 121.223 -0.120 0.000 2.316 95 L HA 0.538 4.878 4.340 -0.000 0.000 0.280 95 L C -1.720 175.188 176.870 0.064 0.000 1.006 95 L CA -0.364 54.488 54.840 0.020 0.000 0.836 95 L CB 0.019 42.058 42.059 -0.033 0.000 1.221 95 L HN 0.454 nan 8.230 nan 0.000 0.418 96 F N 5.349 125.406 119.950 0.180 0.000 2.404 96 F HA 0.530 5.057 4.527 -0.000 0.000 0.345 96 F C 0.464 176.434 175.800 0.283 0.000 1.110 96 F CA -0.131 57.996 58.000 0.212 0.000 1.130 96 F CB 0.730 39.805 39.000 0.124 0.000 1.129 96 F HN 0.573 nan 8.300 nan 0.000 0.500 97 H N -0.765 118.422 119.070 0.194 0.000 3.012 97 H HA 0.319 4.875 4.556 -0.000 0.000 0.367 97 H C -0.491 174.908 175.328 0.117 0.000 1.211 97 H CA -1.220 54.911 56.048 0.140 0.000 1.139 97 H CB 1.145 30.964 29.762 0.094 0.000 1.838 97 H HN 0.499 nan 8.280 nan 0.000 0.550 98 T N -1.272 113.373 114.554 0.152 0.000 3.215 98 T HA 0.408 4.758 4.350 -0.000 0.000 0.271 98 T C 0.389 175.136 174.700 0.078 0.000 1.012 98 T CA 0.138 62.279 62.100 0.067 0.000 0.899 98 T CB -1.693 67.222 68.868 0.077 0.000 1.089 98 T HN 0.877 nan 8.240 nan 0.000 0.552 99 C N -1.981 117.404 119.300 0.142 0.000 3.284 99 C HA 0.718 5.178 4.460 -0.000 0.000 0.338 99 C C -3.231 171.906 174.990 0.246 0.000 1.237 99 C CA -2.236 56.868 59.018 0.142 0.000 1.276 99 C CB 0.727 28.536 27.740 0.114 0.000 1.601 99 C HN 0.081 nan 8.230 nan 0.000 0.494 100 P HA 0.121 nan 4.420 nan 0.000 0.266 100 P C 1.207 178.583 177.300 0.127 0.000 1.193 100 P CA 0.151 63.352 63.100 0.168 0.000 0.770 100 P CB 0.470 32.225 31.700 0.092 0.000 0.836 101 L N 4.020 125.277 121.223 0.057 0.000 2.051 101 L HA -0.199 4.141 4.340 -0.000 0.000 0.214 101 L C -0.599 176.264 176.870 -0.013 0.000 1.076 101 L CA 2.224 57.029 54.840 -0.058 0.000 0.758 101 L CB -1.931 40.071 42.059 -0.096 0.000 0.890 101 L HN 0.481 nan 8.230 nan 0.000 0.433 102 P HA -0.150 nan 4.420 nan 0.000 0.220 102 P C 0.857 178.171 177.300 0.022 0.000 1.148 102 P CA 1.186 64.294 63.100 0.013 0.000 0.803 102 P CB 0.036 31.746 31.700 0.016 0.000 0.782 103 E N -1.187 119.035 120.200 0.035 0.000 2.445 103 E HA 0.054 4.404 4.350 -0.000 0.000 0.189 103 E C -0.009 176.619 176.600 0.048 0.000 1.069 103 E CA -0.371 56.053 56.400 0.041 0.000 0.871 103 E CB -0.227 29.503 29.700 0.049 0.000 0.991 103 E HN 0.120 nan 8.360 nan 0.000 0.481 104 L N 1.526 122.774 121.223 0.042 0.000 2.410 104 L HA 0.032 4.372 4.340 -0.000 0.000 0.273 104 L C 1.027 177.925 176.870 0.046 0.000 1.152 104 L CA 0.521 55.390 54.840 0.049 0.000 0.855 104 L CB 0.517 42.589 42.059 0.022 0.000 1.129 104 L HN -0.040 nan 8.230 nan 0.000 0.463 105 R N 3.578 124.113 120.500 0.057 0.000 2.310 105 R HA 0.268 4.608 4.340 -0.000 0.000 0.199 105 R C -0.360 175.978 176.300 0.062 0.000 0.891 105 R CA 0.243 56.371 56.100 0.048 0.000 1.060 105 R CB 0.172 30.492 30.300 0.033 0.000 1.188 105 R HN 0.620 nan 8.270 nan 0.000 0.607 106 R N 0.186 120.744 120.500 0.097 0.000 2.522 106 R HA 0.620 4.960 4.340 -0.000 0.000 0.283 106 R C -1.201 175.273 176.300 0.290 0.000 1.074 106 R CA -0.632 55.563 56.100 0.159 0.000 0.925 106 R CB 2.147 32.496 30.300 0.083 0.000 1.205 106 R HN -0.253 nan 8.270 nan 0.000 0.436 107 V N 1.669 121.742 119.914 0.265 0.000 2.604 107 V HA 0.719 4.839 4.120 -0.000 0.000 0.305 107 V C -0.123 175.984 176.094 0.022 0.000 1.043 107 V CA -0.833 61.570 62.300 0.171 0.000 0.888 107 V CB 1.883 33.755 31.823 0.081 0.000 0.995 107 V HN 0.958 nan 8.190 nan 0.000 0.429 108 A N 5.451 128.075 122.820 -0.326 0.000 2.290 108 A HA 0.802 5.122 4.320 -0.000 0.000 0.310 108 A C -0.534 176.910 177.584 -0.233 0.000 1.202 108 A CA -0.449 51.233 52.037 -0.592 0.000 0.837 108 A CB 0.377 18.639 19.000 -1.229 0.000 1.139 108 A HN 0.829 nan 8.150 nan 0.000 0.509 109 L N 3.611 124.749 121.223 -0.142 0.000 2.314 109 L HA 0.188 4.528 4.340 -0.000 0.000 0.275 109 L C 1.640 178.477 176.870 -0.054 0.000 1.068 109 L CA -0.380 54.426 54.840 -0.056 0.000 0.894 109 L CB 0.557 42.608 42.059 -0.013 0.000 1.275 109 L HN 1.001 nan 8.230 nan 0.000 0.432 110 T N 0.971 115.494 114.554 -0.052 0.000 2.635 110 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 110 T C 1.026 175.723 174.700 -0.005 0.000 1.040 110 T CA 1.588 63.666 62.100 -0.037 0.000 1.156 110 T CB 0.212 69.066 68.868 -0.024 0.000 0.863 110 T HN 0.560 nan 8.240 nan 0.000 0.430 111 S N 0.637 116.346 115.700 0.014 0.000 2.718 111 S HA 0.492 4.962 4.470 -0.000 0.000 0.300 111 S C -0.527 174.093 174.600 0.034 0.000 1.117 111 S CA -0.777 57.441 58.200 0.030 0.000 1.002 111 S CB 1.569 64.798 63.200 0.048 0.000 1.092 111 S HN 0.299 nan 8.310 nan 0.000 0.542 112 Q N 1.554 121.378 119.800 0.040 0.000 3.254 112 Q HA 0.307 4.647 4.340 -0.000 0.000 0.315 112 Q C -0.351 175.681 176.000 0.054 0.000 1.405 112 Q CA 0.032 55.860 55.803 0.042 0.000 0.966 112 Q CB 0.185 28.946 28.738 0.039 0.000 1.706 112 Q HN 0.418 nan 8.270 nan 0.000 0.525 113 S N 0.149 115.882 115.700 0.056 0.000 2.474 113 S HA 0.759 5.228 4.470 -0.000 0.000 0.321 113 S C -0.099 174.545 174.600 0.072 0.000 1.080 113 S CA -0.602 57.638 58.200 0.067 0.000 1.106 113 S CB 0.460 63.696 63.200 0.060 0.000 0.984 113 S HN 0.546 nan 8.310 nan 0.000 0.464 117 V N 2.414 122.367 119.914 0.065 0.000 2.332 117 V HA 0.144 4.264 4.120 -0.000 0.000 0.248 117 V C 2.823 178.976 176.094 0.097 0.000 1.055 117 V CA 1.970 64.311 62.300 0.068 0.000 1.038 117 V CB -2.030 29.831 31.823 0.064 0.000 0.651 117 V HN 0.811 nan 8.190 nan 0.000 0.450 118 A N 0.730 123.638 122.820 0.146 0.000 1.908 118 A HA -0.153 4.166 4.320 -0.000 0.000 0.218 118 A C 2.197 179.948 177.584 0.279 0.000 1.181 118 A CA 2.265 54.438 52.037 0.228 0.000 0.627 118 A CB -0.687 18.532 19.000 0.365 0.000 0.818 118 A HN 0.546 nan 8.150 nan 0.000 0.445 119 L N -0.887 120.443 121.223 0.179 0.000 2.072 119 L HA -0.030 4.310 4.340 -0.000 0.000 0.205 119 L C 2.195 179.096 176.870 0.052 0.000 1.079 119 L CA 1.850 56.717 54.840 0.044 0.000 0.752 119 L CB -0.715 41.143 42.059 -0.335 0.000 0.906 119 L HN 0.350 nan 8.230 nan 0.000 0.436 120 L N -0.319 120.926 121.223 0.036 0.000 2.083 120 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 120 L C 2.339 179.240 176.870 0.052 0.000 1.083 120 L CA 1.790 56.647 54.840 0.029 0.000 0.752 120 L CB -0.645 41.427 42.059 0.021 0.000 0.899 120 L HN 0.397 nan 8.230 nan 0.000 0.433 121 E N -1.164 119.081 120.200 0.075 0.000 2.072 121 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 121 E C 2.184 178.835 176.600 0.086 0.000 0.985 121 E CA 1.336 57.779 56.400 0.071 0.000 0.801 121 E CB -0.134 29.609 29.700 0.071 0.000 0.750 121 E HN 0.389 nan 8.360 nan 0.000 0.452 122 V N 1.534 121.527 119.914 0.132 0.000 2.392 122 V HA -0.264 3.856 4.120 -0.000 0.000 0.249 122 V C 2.220 178.396 176.094 0.137 0.000 1.059 122 V CA 1.502 63.899 62.300 0.163 0.000 1.051 122 V CB -0.382 31.617 31.823 0.294 0.000 0.658 122 V HN 0.265 nan 8.190 nan 0.000 0.455 123 L N -1.166 120.129 121.223 0.120 0.000 2.072 123 L HA -0.098 4.242 4.340 -0.000 0.000 0.205 123 L C 2.342 179.236 176.870 0.039 0.000 1.079 123 L CA 1.210 56.098 54.840 0.079 0.000 0.752 123 L CB -0.479 41.615 42.059 0.058 0.000 0.906 123 L HN 0.271 nan 8.230 nan 0.000 0.436 124 L N -0.587 120.656 121.223 0.033 0.000 2.027 124 L HA -0.167 4.173 4.340 -0.000 0.000 0.206 124 L C 2.830 179.713 176.870 0.022 0.000 1.074 124 L CA 1.152 56.003 54.840 0.018 0.000 0.745 124 L CB -0.409 41.661 42.059 0.018 0.000 0.898 124 L HN 0.158 nan 8.230 nan 0.000 0.433 125 R N -0.371 120.149 120.500 0.033 0.000 2.083 125 R HA -0.234 4.105 4.340 -0.000 0.000 0.237 125 R C 2.364 178.677 176.300 0.021 0.000 1.137 125 R CA 1.560 57.677 56.100 0.028 0.000 0.951 125 R CB -0.244 30.078 30.300 0.037 0.000 0.851 125 R HN 0.190 nan 8.270 nan 0.000 0.434 126 Q N 0.776 120.592 119.800 0.026 0.000 2.124 126 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 126 Q C 1.137 177.137 176.000 -0.001 0.000 0.977 126 Q CA 1.740 57.550 55.803 0.012 0.000 0.850 126 Q CB 0.180 28.925 28.738 0.012 0.000 0.901 126 Q HN 0.181 nan 8.270 nan 0.000 0.429 127 K N -1.503 118.898 120.400 0.001 0.000 2.487 127 K HA 0.163 4.483 4.320 -0.000 0.000 0.192 127 K C 0.807 177.406 176.600 -0.002 0.000 1.027 127 K CA 0.505 56.789 56.287 -0.006 0.000 1.054 127 K CB 0.210 32.705 32.500 -0.008 0.000 0.824 127 K HN 0.374 nan 8.250 nan 0.000 0.510 128 G N 1.635 110.436 108.800 0.002 0.000 2.155 128 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.257 128 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.257 128 G C 0.068 174.971 174.900 0.006 0.000 0.983 128 G CA 0.070 45.173 45.100 0.004 0.000 0.676 128 G HN 0.163 nan 8.290 nan 0.000 0.528 129 L N 0.033 121.260 121.223 0.006 0.000 2.421 129 L HA 0.664 5.004 4.340 -0.000 0.000 0.263 129 L C 0.766 177.644 176.870 0.012 0.000 1.122 129 L CA -0.292 54.552 54.840 0.007 0.000 0.804 129 L CB 1.735 43.795 42.059 0.002 0.000 1.150 129 L HN 0.049 nan 8.230 nan 0.000 0.457 130 S N 0.263 115.972 115.700 0.015 0.000 2.701 130 S HA 0.211 4.681 4.470 -0.000 0.000 0.228 130 S C -2.193 172.422 174.600 0.025 0.000 0.948 130 S CA -0.731 57.481 58.200 0.020 0.000 1.129 130 S CB 0.065 63.276 63.200 0.018 0.000 1.352 130 S HN 0.527 nan 8.310 nan 0.000 0.446 131 P HA 0.182 nan 4.420 nan 0.000 0.270 131 P C 0.095 177.423 177.300 0.047 0.000 1.223 131 P CA -0.177 62.946 63.100 0.038 0.000 0.785 131 P CB 0.746 32.471 31.700 0.041 0.000 0.923 132 V N 2.734 122.682 119.914 0.057 0.000 2.614 132 V HA 0.162 4.282 4.120 -0.000 0.000 0.291 132 V C -0.388 175.760 176.094 0.090 0.000 1.049 132 V CA -0.286 62.052 62.300 0.064 0.000 1.038 132 V CB 0.293 32.152 31.823 0.060 0.000 0.980 132 V HN 0.290 nan 8.190 nan 0.000 0.481 133 L N 6.803 128.074 121.223 0.081 0.000 2.341 133 L HA 0.638 4.978 4.340 -0.000 0.000 0.278 133 L C -0.047 176.880 176.870 0.095 0.000 1.005 133 L CA 0.125 55.016 54.840 0.085 0.000 0.818 133 L CB 1.813 43.906 42.059 0.057 0.000 1.259 133 L HN 0.741 nan 8.230 nan 0.000 0.418 134 E N 2.627 122.899 120.200 0.119 0.000 2.317 134 E HA 0.511 4.861 4.350 -0.000 0.000 0.270 134 E C -0.810 175.827 176.600 0.062 0.000 0.885 134 E CA -1.205 55.267 56.400 0.121 0.000 0.760 134 E CB 2.121 31.956 29.700 0.225 0.000 1.227 134 E HN 0.209 nan 8.360 nan 0.000 0.434 135 R N 1.104 121.636 120.500 0.054 0.000 2.491 135 R HA 0.591 4.931 4.340 -0.000 0.000 0.283 135 R C -0.661 175.651 176.300 0.020 0.000 1.072 135 R CA 0.134 56.250 56.100 0.026 0.000 1.048 135 R CB 0.910 31.230 30.300 0.033 0.000 0.983 135 R HN 0.699 nan 8.270 nan 0.000 0.450 136 A N 2.402 125.208 122.820 -0.024 0.000 2.601 136 A HA 0.515 4.835 4.320 -0.000 0.000 0.291 136 A C -1.487 176.073 177.584 -0.040 0.000 1.075 136 A CA -0.644 51.375 52.037 -0.030 0.000 0.671 136 A CB 1.687 20.617 19.000 -0.118 0.000 1.277 136 A HN 0.539 nan 8.150 nan 0.000 0.417 137 E N -0.891 119.298 120.200 -0.018 0.000 2.317 137 E HA 0.715 5.065 4.350 -0.000 0.000 0.270 137 E C -0.141 176.449 176.600 -0.016 0.000 0.885 137 E CA 0.602 56.993 56.400 -0.014 0.000 0.760 137 E CB 2.198 31.901 29.700 0.005 0.000 1.227 137 E HN 2.162 nan 8.360 nan 0.000 0.434 138 G N 0.755 109.541 108.800 -0.023 0.000 2.351 138 G HA2 0.160 4.120 3.960 -0.000 0.000 0.353 138 G HA3 0.160 4.120 3.960 -0.000 0.000 0.353 138 G C -0.419 174.450 174.900 -0.052 0.000 1.358 138 G CA -0.391 44.693 45.100 -0.026 0.000 0.995 138 G HN 0.738 nan 8.290 nan 0.000 0.611 139 T N -1.281 113.236 114.554 -0.061 0.000 2.788 139 T HA 0.633 4.983 4.350 -0.000 0.000 0.287 139 T C 1.899 176.499 174.700 -0.166 0.000 1.007 139 T CA 0.888 62.922 62.100 -0.110 0.000 1.005 139 T CB 1.387 70.195 68.868 -0.101 0.000 1.012 139 T HN 2.134 nan 8.240 nan 0.000 0.530 140 A N 0.544 123.171 122.820 -0.321 0.000 1.877 140 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 140 A C 2.310 179.760 177.584 -0.224 0.000 1.186 140 A CA 1.565 53.355 52.037 -0.413 0.000 0.620 140 A CB -0.999 17.289 19.000 -1.187 0.000 0.822 140 A HN 0.971 nan 8.150 nan 0.000 0.443 141 E N 0.220 120.295 120.200 -0.208 0.000 2.110 141 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 141 E C 2.434 179.012 176.600 -0.036 0.000 0.988 141 E CA 1.520 57.866 56.400 -0.090 0.000 0.804 141 E CB -0.214 29.439 29.700 -0.078 0.000 0.745 141 E HN 0.813 nan 8.360 nan 0.000 0.458 142 S N 1.145 116.822 115.700 -0.038 0.000 2.357 142 S HA -0.088 4.382 4.470 -0.000 0.000 0.221 142 S C 2.158 176.779 174.600 0.034 0.000 1.031 142 S CA 0.530 58.728 58.200 -0.002 0.000 0.982 142 S CB -0.574 62.623 63.200 -0.006 0.000 0.853 142 S HN 0.144 nan 8.310 nan 0.000 0.458 143 L N 0.214 121.454 121.223 0.029 0.000 2.083 143 L HA -0.031 4.309 4.340 -0.000 0.000 0.209 143 L C 2.496 179.481 176.870 0.192 0.000 1.083 143 L CA 0.708 55.613 54.840 0.109 0.000 0.752 143 L CB -0.511 41.540 42.059 -0.013 0.000 0.899 143 L HN 0.296 nan 8.230 nan 0.000 0.433 144 L N -0.322 120.967 121.223 0.109 0.000 2.201 144 L HA -0.088 4.252 4.340 -0.000 0.000 0.212 144 L C 2.550 179.480 176.870 0.099 0.000 1.105 144 L CA 1.732 56.649 54.840 0.129 0.000 0.775 144 L CB -1.029 41.084 42.059 0.089 0.000 0.913 144 L HN 0.145 nan 8.230 nan 0.000 0.440 145 A N -1.471 121.392 122.820 0.071 0.000 2.119 145 A HA 0.335 4.655 4.320 -0.000 0.000 0.216 145 A C 1.778 179.392 177.584 0.049 0.000 1.152 145 A CA 0.899 52.965 52.037 0.048 0.000 0.708 145 A CB -0.406 18.612 19.000 0.030 0.000 0.805 145 A HN 0.358 nan 8.150 nan 0.000 0.460 146 A N -0.620 122.247 122.820 0.079 0.000 3.293 146 A HA 0.521 4.841 4.320 -0.000 0.000 0.163 146 A C 1.438 179.027 177.584 0.008 0.000 2.052 146 A CA 0.371 52.442 52.037 0.056 0.000 1.062 146 A CB -0.807 18.258 19.000 0.109 0.000 1.908 146 A HN 0.757 nan 8.150 nan 0.000 0.790 147 G N -1.304 107.430 108.800 -0.110 0.000 3.814 147 G HA2 0.479 4.439 3.960 -0.000 0.000 0.293 147 G HA3 0.479 4.439 3.960 -0.000 0.000 0.293 147 G C -0.724 173.961 174.900 -0.359 0.000 1.243 147 G CA -0.004 44.959 45.100 -0.229 0.000 1.053 147 G HN 0.324 nan 8.290 nan 0.000 0.562 148 Y N -0.190 120.131 120.300 0.035 0.000 2.393 148 Y HA 0.290 4.840 4.550 -0.000 0.000 0.341 148 Y C 0.783 176.720 175.900 0.062 0.000 0.988 148 Y CA -1.070 57.058 58.100 0.046 0.000 1.078 148 Y CB 2.112 40.602 38.460 0.049 0.000 1.203 148 Y HN 0.042 nan 8.280 nan 0.000 0.453 149 D N 1.746 122.284 120.400 0.230 0.000 2.137 149 D HA 0.043 4.683 4.640 -0.000 0.000 0.202 149 D C 0.805 177.240 176.300 0.225 0.000 0.970 149 D CA 0.988 55.098 54.000 0.182 0.000 0.837 149 D CB 0.267 41.153 40.800 0.143 0.000 0.981 149 D HN 0.714 nan 8.370 nan 0.000 0.475 150 G N -0.544 108.392 108.800 0.227 0.000 2.569 150 G HA2 0.543 4.503 3.960 -0.000 0.000 0.300 150 G HA3 0.543 4.503 3.960 -0.000 0.000 0.300 150 G C -1.372 173.620 174.900 0.153 0.000 1.269 150 G CA -0.361 44.866 45.100 0.211 0.000 0.959 150 G HN -0.039 nan 8.290 nan 0.000 0.478 151 V N 0.848 120.862 119.914 0.168 0.000 2.711 151 V HA 0.389 4.509 4.120 -0.000 0.000 0.304 151 V C -0.981 175.219 176.094 0.176 0.000 1.097 151 V CA -0.674 61.674 62.300 0.079 0.000 0.906 151 V CB 1.630 33.474 31.823 0.035 0.000 1.015 151 V HN 0.741 nan 8.190 nan 0.000 0.427 152 L N 6.230 127.503 121.223 0.083 0.000 2.289 152 L HA 0.708 5.048 4.340 -0.000 0.000 0.285 152 L C -0.037 176.900 176.870 0.112 0.000 1.049 152 L CA 0.363 55.266 54.840 0.105 0.000 0.804 152 L CB 0.723 42.808 42.059 0.043 0.000 1.195 152 L HN 0.629 nan 8.230 nan 0.000 0.428 153 R N 5.808 126.413 120.500 0.175 0.000 2.725 153 R HA 0.636 4.976 4.340 -0.000 0.000 0.277 153 R C -1.452 174.908 176.300 0.101 0.000 0.987 153 R CA -0.884 55.306 56.100 0.150 0.000 0.901 153 R CB 2.559 32.998 30.300 0.232 0.000 1.207 153 R HN 0.706 nan 8.270 nan 0.000 0.463 154 I N 0.228 120.832 120.570 0.056 0.000 2.802 154 I HA 0.600 4.770 4.170 -0.000 0.000 0.298 154 I C -0.196 175.924 176.117 0.004 0.000 1.176 154 I CA 0.217 61.511 61.300 -0.010 0.000 1.025 154 I CB 2.141 40.114 38.000 -0.045 0.000 1.243 154 I HN 0.827 nan 8.210 nan 0.000 0.424 155 G N 5.556 114.329 108.800 -0.045 0.000 2.582 155 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.222 155 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.222 155 G C -0.010 174.926 174.900 0.060 0.000 1.311 155 G CA 0.076 45.175 45.100 -0.001 0.000 0.915 155 G HN 0.630 nan 8.290 nan 0.000 0.528 156 D N 0.100 120.567 120.400 0.111 0.000 2.158 156 D HA -0.072 4.568 4.640 -0.000 0.000 0.197 156 D C 1.936 178.287 176.300 0.084 0.000 0.995 156 D CA 1.626 55.677 54.000 0.085 0.000 0.846 156 D CB -0.183 40.693 40.800 0.127 0.000 0.941 156 D HN 0.441 nan 8.370 nan 0.000 0.456 157 D N 0.416 120.874 120.400 0.096 0.000 2.144 157 D HA -0.091 4.549 4.640 -0.000 0.000 0.199 157 D C 2.018 178.395 176.300 0.127 0.000 0.984 157 D CA 1.101 55.155 54.000 0.091 0.000 0.834 157 D CB -0.179 40.662 40.800 0.068 0.000 0.955 157 D HN 0.158 nan 8.370 nan 0.000 0.465 158 A N 0.626 123.534 122.820 0.146 0.000 1.969 158 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 158 A C 2.139 179.901 177.584 0.297 0.000 1.169 158 A CA 0.797 52.982 52.037 0.246 0.000 0.635 158 A CB -0.500 18.602 19.000 0.170 0.000 0.810 158 A HN 0.223 nan 8.150 nan 0.000 0.445 159 L N -0.247 121.077 121.223 0.168 0.000 2.072 159 L HA -0.048 4.292 4.340 -0.000 0.000 0.205 159 L C 2.419 179.493 176.870 0.340 0.000 1.079 159 L CA 1.796 56.739 54.840 0.171 0.000 0.752 159 L CB -0.551 41.420 42.059 -0.147 0.000 0.906 159 L HN 0.333 nan 8.230 nan 0.000 0.436 160 R N -0.266 120.367 120.500 0.221 0.000 2.073 160 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 160 R C 2.110 178.568 176.300 0.263 0.000 1.134 160 R CA 1.893 58.122 56.100 0.215 0.000 0.952 160 R CB -0.439 29.937 30.300 0.127 0.000 0.850 160 R HN 0.492 nan 8.270 nan 0.000 0.433 161 E N -0.524 119.829 120.200 0.255 0.000 2.204 161 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 161 E C 1.549 178.414 176.600 0.443 0.000 0.989 161 E CA 0.887 57.414 56.400 0.211 0.000 0.824 161 E CB -0.108 29.578 29.700 -0.024 0.000 0.756 161 E HN 0.432 nan 8.360 nan 0.000 0.477 162 W N 0.568 122.130 121.300 0.436 0.000 2.379 162 W HA -0.231 4.429 4.660 -0.000 0.000 0.307 162 W C 1.916 178.601 176.519 0.276 0.000 1.200 162 W CA 1.107 58.678 57.345 0.377 0.000 1.297 162 W CB -0.515 29.099 29.460 0.258 0.000 1.140 162 W HN 0.036 nan 8.180 nan 0.000 0.507 163 Y N 1.244 121.477 120.300 -0.112 0.000 2.293 163 Y HA 0.016 4.566 4.550 -0.000 0.000 0.291 163 Y C 2.463 178.209 175.900 -0.257 0.000 1.137 163 Y CA 2.158 59.989 58.100 -0.448 0.000 1.202 163 Y CB -0.790 37.591 38.460 -0.132 0.000 0.990 163 Y HN 0.010 nan 8.280 nan 0.000 0.537 164 G N -0.892 107.875 108.800 -0.056 0.000 2.402 164 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.216 164 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.216 164 G C 1.658 176.463 174.900 -0.158 0.000 1.162 164 G CA 1.301 46.344 45.100 -0.093 0.000 0.777 164 G HN 0.320 nan 8.290 nan 0.000 0.539 165 V N 0.449 120.305 119.914 -0.097 0.000 2.231 165 V HA -0.011 4.109 4.120 -0.000 0.000 0.240 165 V C 1.734 177.703 176.094 -0.208 0.000 1.039 165 V CA 0.594 62.851 62.300 -0.073 0.000 0.998 165 V CB -0.489 31.392 31.823 0.098 0.000 0.639 165 V HN 0.118 nan 8.190 nan 0.000 0.451 166 V N -0.182 119.523 119.914 -0.348 0.000 3.003 166 V HA 0.600 4.720 4.120 -0.000 0.000 0.305 166 V C 0.791 176.523 176.094 -0.604 0.000 1.078 166 V CA 0.610 62.655 62.300 -0.425 0.000 1.083 166 V CB 0.114 31.627 31.823 -0.517 0.000 1.039 166 V HN 0.860 nan 8.190 nan 0.000 0.481 167 G N 4.265 112.784 108.800 -0.469 0.000 2.681 167 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.220 167 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.220 167 G C -2.551 172.090 174.900 -0.430 0.000 1.353 167 G CA -0.587 44.194 45.100 -0.533 0.000 0.872 167 G HN 0.756 nan 8.290 nan 0.000 0.557 168 P HA 0.438 nan 4.420 nan 0.000 0.271 168 P C 0.154 177.361 177.300 -0.155 0.000 1.233 168 P CA -0.420 62.474 63.100 -0.343 0.000 0.795 168 P CB 0.293 31.917 31.700 -0.125 0.000 0.936 169 L N 0.607 121.870 121.223 0.066 0.000 2.387 169 L HA 0.665 5.005 4.340 -0.000 0.000 0.266 169 L C 0.021 176.926 176.870 0.058 0.000 1.059 169 L CA 0.189 55.089 54.840 0.100 0.000 0.801 169 L CB 1.205 43.397 42.059 0.223 0.000 1.223 169 L HN 0.625 nan 8.230 nan 0.000 0.456 170 T N -0.740 113.834 114.554 0.034 0.000 2.883 170 T HA 0.494 4.844 4.350 -0.000 0.000 0.301 170 T C -2.308 172.399 174.700 0.012 0.000 1.158 170 T CA -1.483 60.628 62.100 0.017 0.000 1.007 170 T CB 1.359 70.228 68.868 0.001 0.000 1.186 170 T HN 0.358 nan 8.240 nan 0.000 0.499 171 P HA -0.251 nan 4.420 nan 0.000 0.219 171 P C 1.598 178.894 177.300 -0.006 0.000 1.161 171 P CA 1.655 64.755 63.100 -0.001 0.000 0.909 171 P CB 0.137 31.836 31.700 -0.002 0.000 0.793 172 E N -1.194 119.002 120.200 -0.007 0.000 2.371 172 E HA -0.068 4.282 4.350 -0.000 0.000 0.194 172 E C 0.785 177.378 176.600 -0.010 0.000 1.012 172 E CA 0.757 57.151 56.400 -0.010 0.000 0.860 172 E CB -0.421 29.273 29.700 -0.009 0.000 0.811 172 E HN 0.088 nan 8.360 nan 0.000 0.502 173 R N 1.183 121.680 120.500 -0.006 0.000 2.490 173 R HA 0.262 4.602 4.340 -0.000 0.000 0.280 173 R C 0.151 176.448 176.300 -0.005 0.000 1.077 173 R CA 0.114 56.212 56.100 -0.004 0.000 1.065 173 R CB 1.032 31.333 30.300 0.001 0.000 1.003 173 R HN 0.173 nan 8.270 nan 0.000 0.470 177 S N 1.580 117.338 115.700 0.095 0.000 2.317 177 S HA 0.611 5.081 4.470 -0.000 0.000 0.144 177 S C -1.286 173.331 174.600 0.029 0.000 1.660 177 S CA -0.471 57.759 58.200 0.049 0.000 1.273 177 S CB 1.054 64.268 63.200 0.022 0.000 1.330 177 S HN 0.291 nan 8.310 nan 0.000 0.395 178 L N 3.398 124.649 121.223 0.046 0.000 2.341 178 L HA 0.755 5.095 4.340 -0.000 0.000 0.267 178 L C -2.233 174.576 176.870 -0.102 0.000 1.009 178 L CA -1.860 52.992 54.840 0.019 0.000 0.819 178 L CB 0.869 43.010 42.059 0.137 0.000 1.323 178 L HN 0.169 nan 8.230 nan 0.000 0.425 179 P HA 0.081 nan 4.420 nan 0.000 0.269 179 P C -0.488 176.753 177.300 -0.098 0.000 1.217 179 P CA 0.101 63.112 63.100 -0.148 0.000 0.783 179 P CB 0.576 32.224 31.700 -0.087 0.000 0.898 180 H N -1.194 117.917 119.070 0.069 0.000 2.586 180 H HA 0.230 4.786 4.556 -0.000 0.000 0.273 180 H C 0.154 175.500 175.328 0.031 0.000 0.997 180 H CA 0.351 56.455 56.048 0.094 0.000 1.177 180 H CB 0.454 30.267 29.762 0.085 0.000 1.471 180 H HN 0.353 nan 8.280 nan 0.000 0.538 181 T N -0.258 114.348 114.554 0.087 0.000 2.906 181 T HA 0.651 5.001 4.350 -0.000 0.000 0.295 181 T C 0.086 174.777 174.700 -0.014 0.000 1.061 181 T CA -0.698 61.417 62.100 0.025 0.000 1.000 181 T CB 2.628 71.501 68.868 0.009 0.000 1.103 181 T HN 0.322 nan 8.240 nan 0.000 0.486 182 G N 0.772 109.561 108.800 -0.018 0.000 2.761 182 G HA2 0.510 4.470 3.960 -0.000 0.000 0.296 182 G HA3 0.510 4.470 3.960 -0.000 0.000 0.296 182 G C -0.596 174.291 174.900 -0.020 0.000 1.416 182 G CA -0.960 44.117 45.100 -0.038 0.000 1.105 182 G HN 0.678 nan 8.290 nan 0.000 0.565 183 R N 0.544 121.029 120.500 -0.025 0.000 3.322 183 R HA -0.258 4.082 4.340 -0.000 0.000 0.253 183 R C 1.535 177.833 176.300 -0.003 0.000 0.987 183 R CA 1.325 57.416 56.100 -0.015 0.000 0.666 183 R CB -1.490 28.801 30.300 -0.016 0.000 1.072 183 R HN 2.396 nan 8.270 nan 0.000 0.447 184 G N -0.565 108.232 108.800 -0.006 0.000 2.184 184 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.264 184 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.264 184 G C 0.315 175.212 174.900 -0.006 0.000 0.975 184 G CA 0.530 45.628 45.100 -0.003 0.000 0.642 184 G HN 0.460 nan 8.290 nan 0.000 0.536 185 I N 1.515 122.089 120.570 0.006 0.000 2.359 185 I HA 0.438 4.608 4.170 -0.000 0.000 0.294 185 I C 0.222 176.322 176.117 -0.027 0.000 0.987 185 I CA -0.516 60.797 61.300 0.022 0.000 1.225 185 I CB 1.822 39.893 38.000 0.117 0.000 1.366 185 I HN -0.026 nan 8.210 nan 0.000 0.466 186 T N 5.474 119.927 114.554 -0.168 0.000 2.824 186 T HA 0.456 4.806 4.350 -0.000 0.000 0.280 186 T C -0.271 174.319 174.700 -0.182 0.000 0.995 186 T CA -0.466 61.483 62.100 -0.250 0.000 1.009 186 T CB 1.827 70.359 68.868 -0.559 0.000 0.955 186 T HN 0.209 nan 8.240 nan 0.000 0.452 187 V N 3.629 123.508 119.914 -0.057 0.000 2.357 187 V HA 0.404 4.524 4.120 -0.000 0.000 0.284 187 V C 0.282 176.333 176.094 -0.072 0.000 1.018 187 V CA -0.715 61.498 62.300 -0.145 0.000 0.841 187 V CB 1.427 33.227 31.823 -0.038 0.000 0.991 187 V HN 0.942 nan 8.190 nan 0.000 0.437 188 T N 3.866 118.387 114.554 -0.055 0.000 2.756 188 T HA 0.208 4.558 4.350 -0.000 0.000 0.290 188 T C -0.269 174.333 174.700 -0.164 0.000 0.985 188 T CA -0.218 61.838 62.100 -0.074 0.000 0.955 188 T CB 0.770 69.644 68.868 0.010 0.000 0.930 188 T HN 0.722 nan 8.240 nan 0.000 0.451 189 D N 3.914 124.183 120.400 -0.218 0.000 2.336 189 D HA 0.117 4.757 4.640 -0.000 0.000 0.249 189 D C 1.286 177.494 176.300 -0.153 0.000 1.213 189 D CA -0.273 53.585 54.000 -0.237 0.000 0.870 189 D CB 0.823 41.421 40.800 -0.337 0.000 1.076 189 D HN 0.465 nan 8.370 nan 0.000 0.483 190 L N 3.275 124.423 121.223 -0.125 0.000 2.131 190 L HA -0.184 4.155 4.340 -0.000 0.000 0.210 190 L C 2.388 179.229 176.870 -0.049 0.000 1.092 190 L CA 1.052 55.842 54.840 -0.084 0.000 0.759 190 L CB -0.406 41.594 42.059 -0.098 0.000 0.903 190 L HN 0.424 nan 8.230 nan 0.000 0.435 191 A N -0.401 122.405 122.820 -0.023 0.000 1.929 191 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 191 A C 2.225 179.882 177.584 0.121 0.000 1.176 191 A CA 1.423 53.497 52.037 0.061 0.000 0.628 191 A CB -0.354 18.723 19.000 0.129 0.000 0.816 191 A HN 0.348 nan 8.150 nan 0.000 0.444 192 Q N 0.076 119.883 119.800 0.013 0.000 2.119 192 Q HA -0.137 4.203 4.340 -0.000 0.000 0.201 192 Q C 1.845 177.913 176.000 0.113 0.000 0.972 192 Q CA 1.815 57.648 55.803 0.050 0.000 0.847 192 Q CB -0.247 28.445 28.738 -0.076 0.000 0.903 192 Q HN 0.613 nan 8.270 nan 0.000 0.433 193 E N -0.478 119.755 120.200 0.055 0.000 2.077 193 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 193 E C 1.638 178.297 176.600 0.098 0.000 0.989 193 E CA 0.970 57.398 56.400 0.046 0.000 0.800 193 E CB -0.681 29.029 29.700 0.017 0.000 0.746 193 E HN 0.587 nan 8.360 nan 0.000 0.452 194 W N 0.695 121.966 121.300 -0.047 0.000 2.342 194 W HA -0.244 4.416 4.660 -0.000 0.000 0.297 194 W C 1.887 178.425 176.519 0.032 0.000 1.213 194 W CA 1.035 58.367 57.345 -0.021 0.000 1.251 194 W CB -0.409 29.014 29.460 -0.062 0.000 1.136 194 W HN 0.036 nan 8.180 nan 0.000 0.526 195 F N 2.399 122.367 119.950 0.031 0.000 2.128 195 F HA -0.164 4.363 4.527 -0.000 0.000 0.295 195 F C 2.069 177.772 175.800 -0.162 0.000 1.100 195 F CA 2.204 60.156 58.000 -0.080 0.000 1.260 195 F CB -0.946 38.060 39.000 0.009 0.000 1.009 195 F HN -0.288 nan 8.300 nan 0.000 0.476 196 D N 0.562 120.782 120.400 -0.301 0.000 2.182 196 D HA -0.181 4.459 4.640 -0.000 0.000 0.201 196 D C 2.203 178.255 176.300 -0.414 0.000 0.986 196 D CA 1.410 55.181 54.000 -0.381 0.000 0.847 196 D CB -0.341 40.383 40.800 -0.127 0.000 0.942 196 D HN 0.373 nan 8.370 nan 0.000 0.467 197 L N 0.163 121.157 121.223 -0.382 0.000 2.127 197 L HA -0.038 4.302 4.340 -0.000 0.000 0.203 197 L C 2.219 178.760 176.870 -0.549 0.000 1.080 197 L CA 1.725 56.330 54.840 -0.390 0.000 0.768 197 L CB -0.326 41.548 42.059 -0.308 0.000 0.924 197 L HN 0.062 nan 8.230 nan 0.000 0.444 198 T N -5.218 108.868 114.554 -0.779 0.000 2.969 198 T HA 0.315 4.665 4.350 -0.000 0.000 0.250 198 T C 1.466 175.598 174.700 -0.946 0.000 1.021 198 T CA 0.368 61.945 62.100 -0.872 0.000 1.003 198 T CB 0.206 68.403 68.868 -1.118 0.000 1.040 198 T HN 0.516 nan 8.240 nan 0.000 0.492 199 G N 1.195 109.488 108.800 -0.845 0.000 2.155 199 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.257 199 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.257 199 G C -0.069 174.838 174.900 0.012 0.000 0.983 199 G CA 0.598 45.262 45.100 -0.726 0.000 0.676 199 G HN 0.841 nan 8.290 nan 0.000 0.528 200 H N -0.329 118.786 119.070 0.075 0.000 2.812 200 H HA 0.539 5.095 4.556 -0.000 0.000 0.355 200 H C -2.459 173.100 175.328 0.385 0.000 1.207 200 H CA -2.521 53.652 56.048 0.208 0.000 1.217 200 H CB 2.035 31.876 29.762 0.132 0.000 1.874 200 H HN 0.142 nan 8.280 nan 0.000 0.581 201 P HA 0.086 nan 4.420 nan 0.000 0.277 201 P C -1.368 176.203 177.300 0.451 0.000 1.271 201 P CA -0.260 63.052 63.100 0.353 0.000 0.795 201 P CB 0.779 32.564 31.700 0.140 0.000 1.101 202 F N -0.358 119.600 119.950 0.013 0.000 2.529 202 F HA 0.420 4.947 4.527 -0.000 0.000 0.320 202 F C -0.632 174.891 175.800 -0.462 0.000 1.118 202 F CA -0.202 57.522 58.000 -0.459 0.000 0.915 202 F CB 1.397 39.802 39.000 -0.991 0.000 1.161 202 F HN 0.027 nan 8.300 nan 0.000 0.445 203 T N 7.374 121.281 114.554 -1.078 0.000 2.743 203 T HA 0.246 4.596 4.350 -0.000 0.000 0.292 203 T C 0.621 174.872 174.700 -0.748 0.000 0.972 203 T CA 0.007 61.747 62.100 -0.601 0.000 0.967 203 T CB 0.368 69.009 68.868 -0.379 0.000 0.926 203 T HN 0.483 nan 8.240 nan 0.000 0.459 204 F N 1.872 121.740 119.950 -0.137 0.000 2.473 204 F HA 0.483 5.010 4.527 -0.000 0.000 0.294 204 F C 1.447 177.197 175.800 -0.083 0.000 1.103 204 F CA -0.014 57.965 58.000 -0.034 0.000 1.442 204 F CB 0.288 39.300 39.000 0.019 0.000 1.097 204 F HN 0.603 nan 8.300 nan 0.000 0.547 205 A N -0.624 122.235 122.820 0.065 0.000 2.609 205 A HA 0.738 5.058 4.320 -0.000 0.000 0.291 205 A C -1.170 176.391 177.584 -0.038 0.000 1.096 205 A CA -0.295 51.731 52.037 -0.018 0.000 0.684 205 A CB 1.114 20.062 19.000 -0.086 0.000 1.282 205 A HN 0.092 nan 8.150 nan 0.000 0.412 206 V N -3.879 115.965 119.914 -0.116 0.000 3.182 206 V HA 0.736 4.855 4.120 -0.000 0.000 0.308 206 V C -1.247 174.754 176.094 -0.155 0.000 1.240 206 V CA -1.016 61.262 62.300 -0.037 0.000 1.063 206 V CB 1.868 33.589 31.823 -0.171 0.000 1.076 206 V HN 0.966 nan 8.190 nan 0.000 0.446 207 W N 1.591 122.870 121.300 -0.034 0.000 2.309 207 W HA 0.766 5.426 4.660 -0.000 0.000 0.332 207 W C 0.186 176.717 176.519 0.019 0.000 0.962 207 W CA -0.062 57.300 57.345 0.028 0.000 1.497 207 W CB 1.460 30.922 29.460 0.003 0.000 1.308 207 W HN 1.005 nan 8.180 nan 0.000 0.384 208 A N 4.438 127.282 122.820 0.041 0.000 2.293 208 A HA 0.752 5.072 4.320 -0.000 0.000 0.302 208 A C -1.376 176.290 177.584 0.137 0.000 1.119 208 A CA -0.168 51.850 52.037 -0.031 0.000 0.823 208 A CB 0.842 19.827 19.000 -0.026 0.000 1.097 208 A HN 0.540 nan 8.150 nan 0.000 0.491 209 Y N -1.068 119.309 120.300 0.129 0.000 2.597 209 Y HA 0.681 5.231 4.550 -0.000 0.000 0.340 209 Y C -0.290 175.680 175.900 0.117 0.000 1.097 209 Y CA -1.446 56.728 58.100 0.124 0.000 1.037 209 Y CB 0.951 39.514 38.460 0.173 0.000 1.305 209 Y HN 0.638 nan 8.280 nan 0.000 0.463 210 R N 2.305 122.973 120.500 0.280 0.000 2.421 210 R HA 0.112 4.452 4.340 -0.000 0.000 0.305 210 R C 0.703 177.176 176.300 0.289 0.000 1.039 210 R CA -0.090 56.123 56.100 0.189 0.000 1.003 210 R CB 0.656 31.033 30.300 0.128 0.000 0.959 210 R HN 0.839 nan 8.270 nan 0.000 0.427 211 K N 1.760 122.261 120.400 0.169 0.000 2.189 211 K HA -0.241 4.079 4.320 -0.000 0.000 0.207 211 K C 0.978 177.705 176.600 0.211 0.000 1.046 211 K CA 2.264 58.670 56.287 0.198 0.000 0.928 211 K CB -0.053 32.505 32.500 0.097 0.000 0.720 211 K HN 0.670 nan 8.250 nan 0.000 0.458 212 D N -1.270 119.225 120.400 0.158 0.000 2.340 212 D HA -0.063 4.576 4.640 -0.000 0.000 0.220 212 D C 0.156 176.530 176.300 0.125 0.000 1.039 212 D CA 0.179 54.250 54.000 0.118 0.000 0.866 212 D CB 0.108 40.955 40.800 0.079 0.000 0.913 212 D HN -0.046 nan 8.370 nan 0.000 0.523 213 N N 0.095 118.902 118.700 0.178 0.000 2.687 213 N HA 0.270 5.010 4.740 -0.000 0.000 0.275 213 N C -2.850 172.773 175.510 0.189 0.000 1.789 213 N CA -1.691 51.460 53.050 0.169 0.000 0.806 213 N CB 0.695 39.259 38.487 0.128 0.000 1.256 213 N HN -0.135 nan 8.380 nan 0.000 0.500 214 P HA 0.083 nan 4.420 nan 0.000 0.269 214 P C -2.624 174.500 177.300 -0.294 0.000 1.211 214 P CA -0.512 62.417 63.100 -0.284 0.000 0.781 214 P CB 0.157 31.765 31.700 -0.155 0.000 0.877 215 P HA 0.222 nan 4.420 nan 0.000 0.282 215 P C -2.487 174.495 177.300 -0.529 0.000 1.249 215 P CA -1.918 60.798 63.100 -0.641 0.000 0.806 215 P CB -0.230 31.206 31.700 -0.440 0.000 0.984 216 P HA 0.079 nan 4.420 nan 0.000 0.276 216 P C 0.916 178.071 177.300 -0.241 0.000 1.243 216 P CA -0.054 62.830 63.100 -0.360 0.000 0.768 216 P CB 0.697 32.182 31.700 -0.358 0.000 0.856 217 A N 4.932 127.656 122.820 -0.161 0.000 1.954 217 A HA -0.304 4.016 4.320 -0.000 0.000 0.222 217 A C 2.248 179.774 177.584 -0.097 0.000 1.199 217 A CA 2.768 54.740 52.037 -0.108 0.000 0.657 217 A CB -1.555 17.401 19.000 -0.073 0.000 0.823 217 A HN 0.615 nan 8.150 nan 0.000 0.463 218 A N -0.853 121.909 122.820 -0.097 0.000 1.892 218 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 218 A C 2.176 179.713 177.584 -0.078 0.000 1.188 218 A CA 2.005 53.998 52.037 -0.074 0.000 0.631 218 A CB -0.698 18.263 19.000 -0.065 0.000 0.822 218 A HN 0.942 nan 8.150 nan 0.000 0.447 219 L N -0.227 120.929 121.223 -0.111 0.000 2.083 219 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 219 L C 2.259 179.060 176.870 -0.115 0.000 1.083 219 L CA 1.561 56.344 54.840 -0.095 0.000 0.752 219 L CB -0.415 41.572 42.059 -0.120 0.000 0.899 219 L HN 0.416 nan 8.230 nan 0.000 0.433 220 L N -0.900 120.244 121.223 -0.132 0.000 2.083 220 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 220 L C 2.595 179.430 176.870 -0.059 0.000 1.083 220 L CA 1.789 56.557 54.840 -0.120 0.000 0.752 220 L CB -0.605 41.405 42.059 -0.082 0.000 0.899 220 L HN 0.509 nan 8.230 nan 0.000 0.433 221 Q N 0.290 120.062 119.800 -0.047 0.000 2.083 221 Q HA -0.034 4.306 4.340 -0.000 0.000 0.198 221 Q C 1.325 177.309 176.000 -0.026 0.000 0.969 221 Q CA 0.869 56.659 55.803 -0.023 0.000 0.838 221 Q CB 0.169 28.892 28.738 -0.024 0.000 0.900 221 Q HN 0.471 nan 8.270 nan 0.000 0.436 225 E N 1.636 121.831 120.200 -0.009 0.000 2.028 225 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 225 E C 1.905 178.495 176.600 -0.018 0.000 0.988 225 E CA 1.534 57.928 56.400 -0.011 0.000 0.799 225 E CB -0.107 29.586 29.700 -0.012 0.000 0.755 225 E HN 0.330 nan 8.360 nan 0.000 0.447 226 A N 2.061 124.858 122.820 -0.037 0.000 1.883 226 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 226 A C 2.276 179.823 177.584 -0.062 0.000 1.186 226 A CA 2.004 54.010 52.037 -0.052 0.000 0.624 226 A CB -0.651 18.297 19.000 -0.087 0.000 0.822 226 A HN 0.174 nan 8.150 nan 0.000 0.444 227 R N -0.353 120.093 120.500 -0.090 0.000 2.083 227 R HA -0.173 4.166 4.340 -0.000 0.000 0.237 227 R C 2.421 178.687 176.300 -0.057 0.000 1.137 227 R CA 1.791 57.810 56.100 -0.135 0.000 0.951 227 R CB -0.298 29.872 30.300 -0.217 0.000 0.851 227 R HN 0.557 nan 8.270 nan 0.000 0.434 228 R N -0.035 120.454 120.500 -0.019 0.000 2.091 228 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 228 R C 2.508 178.852 176.300 0.075 0.000 1.136 228 R CA 1.822 57.940 56.100 0.030 0.000 0.959 228 R CB -0.376 29.943 30.300 0.031 0.000 0.856 228 R HN 0.327 nan 8.270 nan 0.000 0.437 229 R N -0.011 120.534 120.500 0.074 0.000 2.070 229 R HA -0.093 4.247 4.340 -0.000 0.000 0.233 229 R C 2.522 178.945 176.300 0.204 0.000 1.137 229 R CA 1.450 57.637 56.100 0.144 0.000 0.945 229 R CB -0.690 29.636 30.300 0.043 0.000 0.845 229 R HN 0.352 nan 8.270 nan 0.000 0.430 230 G N 1.483 110.337 108.800 0.090 0.000 2.459 230 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 230 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 230 G C 1.471 176.444 174.900 0.121 0.000 1.183 230 G CA 0.781 45.933 45.100 0.087 0.000 0.776 230 G HN 0.179 nan 8.290 nan 0.000 0.552 231 I N 1.355 121.980 120.570 0.091 0.000 2.335 231 I HA -0.112 4.058 4.170 -0.000 0.000 0.251 231 I C 2.888 179.065 176.117 0.101 0.000 1.129 231 I CA 0.952 62.330 61.300 0.130 0.000 1.402 231 I CB -0.220 37.856 38.000 0.126 0.000 1.069 231 I HN 0.282 nan 8.210 nan 0.000 0.424 232 G N -0.962 107.876 108.800 0.063 0.000 2.572 232 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.216 232 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.216 232 G C 0.349 174.946 174.900 -0.504 0.000 1.133 232 G CA 0.260 45.273 45.100 -0.146 0.000 0.791 232 G HN 0.487 nan 8.290 nan 0.000 0.538 233 H N -0.786 118.322 119.070 0.064 0.000 2.716 233 H HA 0.306 4.862 4.556 -0.000 0.000 0.230 233 H C 0.987 176.361 175.328 0.076 0.000 1.401 233 H CA -0.770 55.313 56.048 0.058 0.000 1.168 233 H CB 0.748 30.537 29.762 0.045 0.000 1.935 233 H HN -0.014 nan 8.280 nan 0.000 0.538 234 L N 0.620 121.923 121.223 0.134 0.000 2.129 234 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 234 L C 2.276 179.229 176.870 0.139 0.000 1.087 234 L CA 1.897 56.829 54.840 0.154 0.000 0.757 234 L CB -0.775 41.386 42.059 0.170 0.000 0.896 234 L HN 0.599 nan 8.230 nan 0.000 0.434 235 A N -1.142 121.741 122.820 0.106 0.000 1.898 235 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 235 A C 2.200 179.845 177.584 0.103 0.000 1.181 235 A CA 1.486 53.577 52.037 0.090 0.000 0.620 235 A CB -0.366 18.669 19.000 0.059 0.000 0.819 235 A HN 0.517 nan 8.150 nan 0.000 0.442 236 E N -0.380 119.891 120.200 0.119 0.000 2.072 236 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 236 E C 1.967 178.639 176.600 0.120 0.000 0.985 236 E CA 1.117 57.580 56.400 0.105 0.000 0.801 236 E CB -0.258 29.505 29.700 0.104 0.000 0.750 236 E HN 0.358 nan 8.360 nan 0.000 0.452 237 V N 1.197 121.203 119.914 0.153 0.000 2.332 237 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 237 V C 2.269 178.518 176.094 0.258 0.000 1.055 237 V CA 1.947 64.365 62.300 0.196 0.000 1.038 237 V CB -0.430 31.503 31.823 0.184 0.000 0.651 237 V HN 0.213 nan 8.190 nan 0.000 0.450 238 S N -0.933 114.891 115.700 0.207 0.000 2.368 238 S HA -0.272 4.198 4.470 -0.000 0.000 0.225 238 S C 1.900 176.606 174.600 0.176 0.000 1.030 238 S CA 1.555 59.880 58.200 0.208 0.000 0.999 238 S CB -0.330 62.965 63.200 0.159 0.000 0.844 238 S HN 0.653 nan 8.310 nan 0.000 0.459 239 Q N 1.031 120.901 119.800 0.116 0.000 1.978 239 Q HA -0.293 4.046 4.340 -0.000 0.000 0.211 239 Q C 2.440 178.463 176.000 0.037 0.000 1.013 239 Q CA 2.185 58.028 55.803 0.067 0.000 0.869 239 Q CB -0.477 28.288 28.738 0.046 0.000 0.953 239 Q HN 0.649 nan 8.270 nan 0.000 0.415 240 R N -0.067 120.427 120.500 -0.011 0.000 2.096 240 R HA -0.177 4.163 4.340 -0.000 0.000 0.240 240 R C 2.042 178.253 176.300 -0.148 0.000 1.139 240 R CA 1.914 57.944 56.100 -0.116 0.000 0.952 240 R CB -0.856 29.312 30.300 -0.220 0.000 0.854 240 R HN 0.439 nan 8.270 nan 0.000 0.436 241 H N 0.660 119.764 119.070 0.056 0.000 2.389 241 H HA 0.093 4.649 4.556 -0.000 0.000 0.299 241 H C 2.315 177.673 175.328 0.050 0.000 1.081 241 H CA 1.448 57.536 56.048 0.067 0.000 1.345 241 H CB -0.127 29.699 29.762 0.106 0.000 1.393 241 H HN 0.463 nan 8.280 nan 0.000 0.520 242 A N 1.273 124.179 122.820 0.143 0.000 1.898 242 A HA -0.174 4.145 4.320 -0.000 0.000 0.216 242 A C 2.332 179.939 177.584 0.039 0.000 1.181 242 A CA 1.600 53.681 52.037 0.074 0.000 0.620 242 A CB -0.310 18.722 19.000 0.054 0.000 0.819 242 A HN 0.381 nan 8.150 nan 0.000 0.442 243 E N -0.016 120.200 120.200 0.026 0.000 2.031 243 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 243 E C 2.015 178.622 176.600 0.012 0.000 0.994 243 E CA 1.553 57.959 56.400 0.010 0.000 0.800 243 E CB -0.141 29.556 29.700 -0.005 0.000 0.752 243 E HN 0.557 nan 8.360 nan 0.000 0.447 244 K N 0.210 120.615 120.400 0.008 0.000 2.280 244 K HA -0.086 4.234 4.320 -0.000 0.000 0.202 244 K C 1.748 178.372 176.600 0.041 0.000 1.047 244 K CA 0.765 57.062 56.287 0.016 0.000 0.942 244 K CB 0.040 32.543 32.500 0.005 0.000 0.739 244 K HN 0.174 nan 8.250 nan 0.000 0.457 245 L N -0.446 120.809 121.223 0.054 0.000 2.585 245 L HA 0.147 4.487 4.340 -0.000 0.000 0.226 245 L C 0.896 177.789 176.870 0.039 0.000 1.113 245 L CA 0.076 54.949 54.840 0.055 0.000 0.876 245 L CB 0.122 42.218 42.059 0.062 0.000 1.072 245 L HN 0.333 nan 8.230 nan 0.000 0.468 246 G N 1.370 110.188 108.800 0.029 0.000 2.221 246 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.265 246 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.265 246 G C -0.118 174.791 174.900 0.015 0.000 1.041 246 G CA 0.206 45.322 45.100 0.027 0.000 0.807 246 G HN 0.251 nan 8.290 nan 0.000 0.502 247 L N -0.910 120.303 121.223 -0.017 0.000 2.323 247 L HA 0.570 4.910 4.340 -0.000 0.000 0.265 247 L C -2.062 174.746 176.870 -0.103 0.000 1.012 247 L CA -2.658 52.120 54.840 -0.103 0.000 0.820 247 L CB 2.027 43.995 42.059 -0.151 0.000 1.334 247 L HN -0.145 nan 8.230 nan 0.000 0.427 248 P HA 0.001 nan 4.420 nan 0.000 0.269 248 P C 0.286 177.548 177.300 -0.063 0.000 1.209 248 P CA -0.175 62.866 63.100 -0.099 0.000 0.776 248 P CB 0.674 32.302 31.700 -0.120 0.000 0.876 249 E N 3.688 123.880 120.200 -0.014 0.000 2.118 249 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 249 E C 1.603 178.219 176.600 0.027 0.000 0.992 249 E CA 1.470 57.882 56.400 0.019 0.000 0.804 249 E CB 0.081 29.797 29.700 0.028 0.000 0.741 249 E HN 0.442 nan 8.360 nan 0.000 0.458 250 R N -0.239 120.266 120.500 0.009 0.000 2.115 250 R HA -0.023 4.316 4.340 -0.000 0.000 0.230 250 R C 2.355 178.680 176.300 0.041 0.000 1.111 250 R CA 1.263 57.378 56.100 0.025 0.000 0.976 250 R CB -0.659 29.647 30.300 0.010 0.000 0.870 250 R HN -0.036 nan 8.270 nan 0.000 0.445 251 V N 1.282 121.185 119.914 -0.019 0.000 2.307 251 V HA -0.188 3.932 4.120 -0.000 0.000 0.245 251 V C 2.423 178.546 176.094 0.049 0.000 1.045 251 V CA 1.543 63.829 62.300 -0.024 0.000 1.024 251 V CB -0.134 31.552 31.823 -0.229 0.000 0.651 251 V HN 0.188 nan 8.190 nan 0.000 0.449 252 V N -0.403 119.542 119.914 0.052 0.000 2.427 252 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 252 V C 2.377 178.609 176.094 0.230 0.000 1.051 252 V CA 2.189 64.580 62.300 0.152 0.000 1.048 252 V CB -0.586 31.320 31.823 0.138 0.000 0.666 252 V HN 0.602 nan 8.190 nan 0.000 0.456 253 Q N -0.297 119.604 119.800 0.170 0.000 2.020 253 Q HA -0.296 4.044 4.340 -0.000 0.000 0.202 253 Q C 2.337 178.471 176.000 0.222 0.000 0.982 253 Q CA 2.361 58.272 55.803 0.180 0.000 0.838 253 Q CB -0.202 28.607 28.738 0.119 0.000 0.899 253 Q HN 0.796 nan 8.270 nan 0.000 0.423 254 H N -0.671 118.464 119.070 0.108 0.000 2.353 254 H HA -0.193 4.363 4.556 -0.000 0.000 0.300 254 H C 1.700 177.105 175.328 0.128 0.000 1.090 254 H CA 2.040 58.159 56.048 0.119 0.000 1.327 254 H CB -0.542 29.236 29.762 0.026 0.000 1.383 254 H HN 0.414 nan 8.280 nan 0.000 0.508 255 Y N 0.703 120.923 120.300 -0.135 0.000 2.114 255 Y HA -0.264 4.286 4.550 -0.000 0.000 0.282 255 Y C 2.187 178.040 175.900 -0.079 0.000 1.165 255 Y CA 2.128 60.102 58.100 -0.211 0.000 1.148 255 Y CB -0.578 37.844 38.460 -0.064 0.000 0.972 255 Y HN 0.252 nan 8.280 nan 0.000 0.504 256 L N -1.124 120.172 121.223 0.122 0.000 2.109 256 L HA -0.214 4.126 4.340 -0.000 0.000 0.207 256 L C 2.539 179.515 176.870 0.177 0.000 1.086 256 L CA 1.206 56.191 54.840 0.242 0.000 0.760 256 L CB -0.878 41.368 42.059 0.312 0.000 0.910 256 L HN 0.532 nan 8.230 nan 0.000 0.437 257 W N 1.674 122.937 121.300 -0.062 0.000 2.425 257 W HA -0.199 4.461 4.660 0.000 0.000 0.277 257 W C 1.936 178.316 176.519 -0.231 0.000 1.231 257 W CA 1.267 58.558 57.345 -0.090 0.000 1.248 257 W CB -0.246 29.177 29.460 -0.062 0.000 1.117 257 W HN 0.297 nan 8.180 nan 0.000 0.568 258 N N 0.175 118.588 118.700 -0.478 0.000 2.494 258 N HA -0.122 4.618 4.740 -0.000 0.000 0.182 258 N C -0.408 174.682 175.510 -0.700 0.000 1.076 258 N CA 0.429 53.095 53.050 -0.640 0.000 0.908 258 N CB -0.362 37.755 38.487 -0.616 0.000 0.967 258 N HN -0.147 nan 8.380 nan 0.000 0.449 259 F N 1.475 121.087 119.950 -0.564 0.000 2.399 259 F HA 0.321 4.848 4.527 -0.000 0.000 0.342 259 F C 0.792 176.089 175.800 -0.838 0.000 1.106 259 F CA -0.369 57.198 58.000 -0.721 0.000 1.196 259 F CB 0.833 39.243 39.000 -0.984 0.000 1.163 259 F HN -0.298 nan 8.300 nan 0.000 0.547 260 R N 3.291 123.561 120.500 -0.383 0.000 2.229 260 R HA 0.224 4.564 4.340 -0.000 0.000 0.332 260 R C -0.619 175.529 176.300 -0.254 0.000 0.989 260 R CA -0.374 55.547 56.100 -0.297 0.000 0.842 260 R CB 0.622 30.822 30.300 -0.166 0.000 1.119 260 R HN 0.654 nan 8.270 nan 0.000 0.456 261 Y N -0.022 120.298 120.300 0.034 0.000 2.458 261 Y HA 0.093 4.643 4.550 -0.000 0.000 0.254 261 Y C 1.101 176.860 175.900 -0.235 0.000 1.120 261 Y CA 0.258 58.318 58.100 -0.067 0.000 1.282 261 Y CB 0.349 38.717 38.460 -0.154 0.000 1.109 261 Y HN 0.612 nan 8.280 nan 0.000 0.526 262 H N -0.628 118.380 119.070 -0.103 0.000 2.526 262 H HA 0.192 4.748 4.556 -0.000 0.000 0.274 262 H C 0.658 175.883 175.328 -0.172 0.000 0.999 262 H CA -0.229 55.694 56.048 -0.208 0.000 1.157 262 H CB 0.006 29.645 29.762 -0.205 0.000 1.407 262 H HN 0.023 nan 8.280 nan 0.000 0.568 263 L N 1.515 122.716 121.223 -0.036 0.000 3.762 263 L HA -0.277 4.063 4.340 -0.000 0.000 0.460 263 L C -0.142 176.649 176.870 -0.132 0.000 1.255 263 L CA 0.382 55.163 54.840 -0.099 0.000 0.783 263 L CB -1.007 40.972 42.059 -0.134 0.000 1.600 263 L HN 0.370 nan 8.230 nan 0.000 0.862 264 E N -0.039 120.107 120.200 -0.089 0.000 2.405 264 E HA 0.461 4.811 4.350 -0.000 0.000 0.253 264 E C 1.452 177.987 176.600 -0.107 0.000 1.257 264 E CA 0.045 56.388 56.400 -0.095 0.000 0.960 264 E CB 0.367 30.017 29.700 -0.082 0.000 1.077 264 E HN 0.459 nan 8.360 nan 0.000 0.512 265 A N 1.300 124.066 122.820 -0.090 0.000 1.903 265 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 265 A C -0.523 177.016 177.584 -0.076 0.000 1.191 265 A CA 1.847 53.837 52.037 -0.078 0.000 0.638 265 A CB -1.760 17.205 19.000 -0.058 0.000 0.823 265 A HN 0.455 nan 8.150 nan 0.000 0.451 266 P HA -0.126 nan 4.420 nan 0.000 0.216 266 P C 0.554 177.822 177.300 -0.052 0.000 1.150 266 P CA 1.464 64.520 63.100 -0.073 0.000 0.837 266 P CB -0.096 31.572 31.700 -0.053 0.000 0.786 267 D N -1.045 119.317 120.400 -0.062 0.000 2.149 267 D HA -0.069 4.571 4.640 -0.000 0.000 0.201 267 D C 1.996 178.250 176.300 -0.077 0.000 0.972 267 D CA 0.814 54.773 54.000 -0.069 0.000 0.835 267 D CB -0.348 40.402 40.800 -0.084 0.000 0.966 267 D HN 0.170 nan 8.370 nan 0.000 0.476 268 R N 0.545 120.993 120.500 -0.088 0.000 2.096 268 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 268 R C 2.357 178.671 176.300 0.023 0.000 1.127 268 R CA 0.312 56.382 56.100 -0.051 0.000 0.968 268 R CB -0.890 29.355 30.300 -0.090 0.000 0.861 268 R HN 0.208 nan 8.270 nan 0.000 0.440 269 L N 0.878 122.098 121.223 -0.004 0.000 1.970 269 L HA -0.047 4.293 4.340 -0.000 0.000 0.212 269 L C 2.303 179.234 176.870 0.101 0.000 1.071 269 L CA 2.343 57.188 54.840 0.009 0.000 0.751 269 L CB -1.241 40.749 42.059 -0.116 0.000 0.889 269 L HN 0.222 nan 8.230 nan 0.000 0.432 270 G N -0.620 108.255 108.800 0.125 0.000 2.442 270 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.219 270 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.219 270 G C 1.593 176.562 174.900 0.115 0.000 1.141 270 G CA 1.034 46.313 45.100 0.298 0.000 0.763 270 G HN 0.412 nan 8.290 nan 0.000 0.554 271 L N 0.498 121.695 121.223 -0.043 0.000 1.994 271 L HA 0.057 4.397 4.340 -0.000 0.000 0.208 271 L C 2.918 179.835 176.870 0.079 0.000 1.071 271 L CA 1.740 56.537 54.840 -0.072 0.000 0.745 271 L CB -0.555 41.502 42.059 -0.002 0.000 0.892 271 L HN 0.123 nan 8.230 nan 0.000 0.431 272 R N -0.468 120.106 120.500 0.123 0.000 2.081 272 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 272 R C 2.129 178.530 176.300 0.169 0.000 1.131 272 R CA 1.715 57.895 56.100 0.134 0.000 0.960 272 R CB -0.431 29.962 30.300 0.154 0.000 0.856 272 R HN 0.555 nan 8.270 nan 0.000 0.436 273 E N 0.064 120.415 120.200 0.252 0.000 2.058 273 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 273 E C 1.809 178.653 176.600 0.407 0.000 0.997 273 E CA 1.420 58.022 56.400 0.337 0.000 0.801 273 E CB -0.283 29.693 29.700 0.459 0.000 0.746 273 E HN 0.227 nan 8.360 nan 0.000 0.450 274 F N 1.750 121.878 119.950 0.297 0.000 2.075 274 F HA -0.181 4.346 4.527 -0.000 0.000 0.297 274 F C 2.320 178.146 175.800 0.043 0.000 1.113 274 F CA 1.478 59.561 58.000 0.139 0.000 1.218 274 F CB -0.599 38.238 39.000 -0.272 0.000 0.984 274 F HN -0.056 nan 8.300 nan 0.000 0.472 275 A N 0.229 122.924 122.820 -0.209 0.000 1.927 275 A HA -0.261 4.059 4.320 -0.000 0.000 0.220 275 A C 2.003 179.430 177.584 -0.262 0.000 1.185 275 A CA 2.271 54.039 52.037 -0.448 0.000 0.639 275 A CB -1.146 17.493 19.000 -0.601 0.000 0.820 275 A HN 0.519 nan 8.150 nan 0.000 0.451 276 D N -0.232 120.168 120.400 -0.000 0.000 2.117 276 D HA -0.070 4.570 4.640 -0.000 0.000 0.198 276 D C 1.992 178.299 176.300 0.012 0.000 0.982 276 D CA 0.961 55.028 54.000 0.112 0.000 0.828 276 D CB -0.344 40.536 40.800 0.133 0.000 0.967 276 D HN 0.459 nan 8.370 nan 0.000 0.464 277 L N 0.424 121.639 121.223 -0.014 0.000 2.056 277 L HA -0.093 4.247 4.340 -0.000 0.000 0.207 277 L C 2.369 179.178 176.870 -0.102 0.000 1.078 277 L CA 1.178 56.013 54.840 -0.008 0.000 0.749 277 L CB -0.213 41.911 42.059 0.109 0.000 0.901 277 L HN -0.012 nan 8.230 nan 0.000 0.433 278 A N -1.175 121.452 122.820 -0.321 0.000 1.984 278 A HA 0.113 4.433 4.320 -0.000 0.000 0.214 278 A C 1.118 178.562 177.584 -0.233 0.000 1.173 278 A CA 0.493 52.315 52.037 -0.359 0.000 0.673 278 A CB 0.269 18.770 19.000 -0.832 0.000 0.830 278 A HN 0.177 nan 8.150 nan 0.000 0.453 279 V N 1.207 120.993 119.914 -0.214 0.000 2.405 279 V HA 0.220 4.340 4.120 -0.000 0.000 0.253 279 V C -2.877 173.242 176.094 0.042 0.000 0.963 279 V CA -1.665 60.584 62.300 -0.086 0.000 1.003 279 V CB 0.407 32.161 31.823 -0.115 0.000 1.251 279 V HN 0.131 nan 8.190 nan 0.000 0.520 280 P HA 0.104 nan 4.420 nan 0.000 0.261 280 P C 1.108 178.388 177.300 -0.035 0.000 1.165 280 P CA 1.711 64.811 63.100 0.000 0.000 0.759 280 P CB 0.391 32.079 31.700 -0.020 0.000 0.772 281 G N 1.964 110.695 108.800 -0.115 0.000 2.246 281 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.273 281 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.273 281 G C 0.298 175.080 174.900 -0.195 0.000 1.055 281 G CA -0.102 44.888 45.100 -0.182 0.000 0.851 281 G HN 0.889 nan 8.290 nan 0.000 0.500 282 H N -0.876 118.134 119.070 -0.100 0.000 2.603 282 H HA 0.719 5.275 4.556 -0.000 0.000 0.370 282 H C 0.807 176.058 175.328 -0.127 0.000 1.225 282 H CA -0.314 55.657 56.048 -0.127 0.000 1.410 282 H CB 0.814 30.486 29.762 -0.150 0.000 1.495 282 H HN 0.690 nan 8.280 nan 0.000 0.602 283 A N 1.242 124.042 122.820 -0.034 0.000 2.406 283 A HA 0.018 4.338 4.320 -0.000 0.000 0.243 283 A C 0.627 178.203 177.584 -0.014 0.000 1.082 283 A CA -0.226 51.764 52.037 -0.080 0.000 0.786 283 A CB -0.175 18.769 19.000 -0.093 0.000 1.029 283 A HN 0.890 nan 8.150 nan 0.000 0.495 284 E N 0.880 121.042 120.200 -0.064 0.000 2.413 284 E HA 0.198 4.548 4.350 -0.000 0.000 0.263 284 E C -0.944 175.599 176.600 -0.094 0.000 1.015 284 E CA -0.179 56.199 56.400 -0.037 0.000 0.916 284 E CB 0.220 29.886 29.700 -0.056 0.000 0.947 284 E HN 0.507 nan 8.360 nan 0.000 0.440 285 L N 4.666 125.828 121.223 -0.103 0.000 2.315 285 L HA 0.218 4.558 4.340 -0.000 0.000 0.283 285 L C 0.456 177.026 176.870 -0.501 0.000 1.089 285 L CA -0.466 54.202 54.840 -0.288 0.000 0.833 285 L CB 0.596 42.571 42.059 -0.139 0.000 1.170 285 L HN 0.602 nan 8.230 nan 0.000 0.442 286 T N -0.520 113.747 114.554 -0.477 0.000 2.855 286 T HA 0.738 5.088 4.350 -0.000 0.000 0.281 286 T C -0.441 173.906 174.700 -0.587 0.000 1.007 286 T CA -0.569 61.248 62.100 -0.472 0.000 1.009 286 T CB 1.529 70.305 68.868 -0.154 0.000 0.983 286 T HN 0.159 nan 8.240 nan 0.000 0.455 287 F N 0.000 120.032 119.950 0.137 0.000 2.286 287 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 287 F CA 0.000 58.070 58.000 0.117 0.000 1.383 287 F CB 0.000 39.059 39.000 0.099 0.000 1.145 287 F HN 0.000 nan 8.300 nan 0.000 0.574