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 2pg8_1_B DATA FIRST_RESID 10 DATA SEQUENCE DTDGLWAALT EAAASVEKLL ATLPEHGARS SAERAEIAAA HDAARALRVR DATA SEQUENCE FLDTHADAVY DRLTDHRRVH LRLAELVEAA ATAFPGLVPT QQQLAVERSL DATA SEQUENCE PQAAKEGHEI DQGIFLRAVL RSPLAGPHLL DAMLRPTPRA LELLPEFVRT DATA SEQUENCE GEVEMEAVHL ERRDGVARLT MCRDDRLNAE DGQQVDDMET AVDLALLDPG DATA SEQUENCE VRVGLLRGGV MSHPRYRGKR VFSAGINLKY LSQGGISLVD FLMRKELGYI DATA SEQUENCE HKLVRGVLTN DDRPGWWHSP RIEKPWVAAV DGFAIGGGAQ LLLVFDRVLA DATA SEQUENCE SSDAYFSLPA AKEGIIPGAA NLRLGRFAGP RVSRQVILEG RRIWAKEPEA DATA SEQUENCE RLLVDEVVEP DELDAAIERS LTRLDGDAVL ANRRMLNLAD ESPDGFRAYM DATA SEQUENCE AEFALMQALR LYGHDVI 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 10 D HA 0.000 nan 4.640 nan 0.000 0.175 10 D C 0.000 176.362 176.300 0.103 0.000 2.045 10 D CA 0.000 54.008 54.000 0.013 0.000 0.868 10 D CB 0.000 40.758 40.800 -0.070 0.000 0.688 11 T N -0.938 113.694 114.554 0.130 0.000 3.004 11 T HA 0.019 4.369 4.350 -0.000 0.000 0.243 11 T C 1.360 176.141 174.700 0.136 0.000 1.020 11 T CA 1.539 63.706 62.100 0.112 0.000 1.145 11 T CB -0.568 68.354 68.868 0.089 0.000 0.876 11 T HN 0.169 nan 8.240 nan 0.000 0.449 12 D N 1.749 122.256 120.400 0.178 0.000 2.411 12 D HA 0.119 4.759 4.640 -0.000 0.000 0.226 12 D C 1.577 177.978 176.300 0.169 0.000 0.988 12 D CA 0.710 54.807 54.000 0.162 0.000 0.938 12 D CB -1.456 39.448 40.800 0.172 0.000 0.883 12 D HN 0.703 nan 8.370 nan 0.000 0.525 13 G N 0.215 109.129 108.800 0.190 0.000 2.422 13 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.301 13 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.301 13 G C 0.760 175.756 174.900 0.161 0.000 0.981 13 G CA 0.718 45.921 45.100 0.171 0.000 0.994 13 G HN 0.478 nan 8.290 nan 0.000 0.514 14 L N -1.478 119.892 121.223 0.245 0.000 2.313 14 L HA 0.052 4.392 4.340 -0.000 0.000 0.214 14 L C 2.580 179.506 176.870 0.095 0.000 1.119 14 L CA 0.966 55.928 54.840 0.204 0.000 0.809 14 L CB -0.211 42.046 42.059 0.329 0.000 0.933 14 L HN 0.667 nan 8.230 nan 0.000 0.449 15 W N 1.006 122.222 121.300 -0.139 0.000 2.381 15 W HA -0.189 4.471 4.660 -0.000 0.000 0.301 15 W C 2.236 178.635 176.519 -0.200 0.000 1.205 15 W CA 1.449 58.547 57.345 -0.411 0.000 1.285 15 W CB 0.074 29.262 29.460 -0.454 0.000 1.133 15 W HN 0.161 nan 8.180 nan 0.000 0.521 16 A N 0.834 123.575 122.820 -0.132 0.000 2.015 16 A HA 0.013 4.333 4.320 -0.000 0.000 0.219 16 A C 2.114 179.569 177.584 -0.216 0.000 1.163 16 A CA 1.972 53.893 52.037 -0.193 0.000 0.646 16 A CB -1.075 17.910 19.000 -0.026 0.000 0.806 16 A HN 0.292 nan 8.150 nan 0.000 0.448 17 A N -0.115 122.616 122.820 -0.148 0.000 1.858 17 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 17 A C 2.110 179.580 177.584 -0.190 0.000 1.190 17 A CA 1.705 53.673 52.037 -0.116 0.000 0.617 17 A CB -0.698 18.273 19.000 -0.047 0.000 0.827 17 A HN 0.684 nan 8.150 nan 0.000 0.443 18 L N 0.086 121.143 121.223 -0.277 0.000 1.970 18 L HA -0.145 4.194 4.340 -0.000 0.000 0.212 18 L C 2.468 179.062 176.870 -0.460 0.000 1.071 18 L CA 3.024 57.655 54.840 -0.348 0.000 0.751 18 L CB -1.373 40.412 42.059 -0.457 0.000 0.889 18 L HN 0.418 nan 8.230 nan 0.000 0.432 19 T N -0.650 113.467 114.554 -0.728 0.000 2.635 19 T HA -0.280 4.070 4.350 -0.000 0.000 0.267 19 T C 1.733 176.246 174.700 -0.311 0.000 1.040 19 T CA 1.737 63.473 62.100 -0.607 0.000 1.156 19 T CB -0.395 68.095 68.868 -0.630 0.000 0.863 19 T HN 0.423 nan 8.240 nan 0.000 0.430 20 E N 1.418 121.467 120.200 -0.251 0.000 2.097 20 E HA -0.126 4.224 4.350 -0.000 0.000 0.196 20 E C 2.221 178.743 176.600 -0.130 0.000 1.000 20 E CA 1.537 57.846 56.400 -0.152 0.000 0.804 20 E CB -0.633 28.996 29.700 -0.119 0.000 0.740 20 E HN 0.481 nan 8.360 nan 0.000 0.454 21 A N 0.630 123.365 122.820 -0.141 0.000 1.898 21 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 21 A C 2.457 179.982 177.584 -0.098 0.000 1.181 21 A CA 1.980 53.954 52.037 -0.105 0.000 0.620 21 A CB -1.056 17.889 19.000 -0.093 0.000 0.819 21 A HN 0.390 nan 8.150 nan 0.000 0.442 22 A N -0.099 122.649 122.820 -0.119 0.000 1.986 22 A HA 0.090 4.409 4.320 -0.000 0.000 0.220 22 A C 2.435 179.977 177.584 -0.071 0.000 1.171 22 A CA 2.201 54.187 52.037 -0.085 0.000 0.640 22 A CB -0.901 18.032 19.000 -0.111 0.000 0.811 22 A HN 1.011 nan 8.150 nan 0.000 0.451 23 A N -0.425 122.344 122.820 -0.085 0.000 1.841 23 A HA -0.054 4.265 4.320 -0.000 0.000 0.214 23 A C 2.388 179.934 177.584 -0.063 0.000 1.195 23 A CA 1.935 53.931 52.037 -0.067 0.000 0.611 23 A CB -1.077 17.881 19.000 -0.069 0.000 0.835 23 A HN 0.493 nan 8.150 nan 0.000 0.443 24 S N -0.380 115.279 115.700 -0.070 0.000 2.423 24 S HA -0.161 4.309 4.470 -0.000 0.000 0.238 24 S C 1.777 176.325 174.600 -0.087 0.000 1.028 24 S CA 1.498 59.656 58.200 -0.071 0.000 1.000 24 S CB -0.499 62.658 63.200 -0.071 0.000 0.797 24 S HN 0.337 nan 8.310 nan 0.000 0.487 25 V N 1.601 121.458 119.914 -0.095 0.000 2.273 25 V HA -0.061 4.059 4.120 -0.000 0.000 0.242 25 V C 2.509 178.558 176.094 -0.075 0.000 1.035 25 V CA 1.309 63.531 62.300 -0.130 0.000 1.013 25 V CB -0.527 31.230 31.823 -0.110 0.000 0.652 25 V HN 0.296 nan 8.190 nan 0.000 0.452 26 E N 0.767 120.943 120.200 -0.039 0.000 2.097 26 E HA -0.259 4.091 4.350 -0.000 0.000 0.196 26 E C 2.381 178.966 176.600 -0.024 0.000 1.000 26 E CA 2.228 58.618 56.400 -0.018 0.000 0.804 26 E CB -0.466 29.222 29.700 -0.020 0.000 0.740 26 E HN 0.694 nan 8.360 nan 0.000 0.454 27 K N 1.231 121.609 120.400 -0.037 0.000 2.001 27 K HA -0.026 4.293 4.320 -0.000 0.000 0.208 27 K C 2.410 178.988 176.600 -0.036 0.000 1.048 27 K CA 1.238 57.505 56.287 -0.033 0.000 0.932 27 K CB -1.124 31.354 32.500 -0.037 0.000 0.715 27 K HN 0.094 nan 8.250 nan 0.000 0.437 28 L N 0.259 121.451 121.223 -0.052 0.000 2.042 28 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 28 L C 2.823 179.668 176.870 -0.042 0.000 1.076 28 L CA 1.319 56.125 54.840 -0.057 0.000 0.749 28 L CB -0.527 41.478 42.059 -0.090 0.000 0.893 28 L HN 0.333 nan 8.230 nan 0.000 0.432 29 L N -0.422 120.781 121.223 -0.035 0.000 1.961 29 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 29 L C 2.819 179.692 176.870 0.005 0.000 1.072 29 L CA 1.355 56.194 54.840 -0.002 0.000 0.749 29 L CB -0.804 41.274 42.059 0.031 0.000 0.889 29 L HN 0.230 nan 8.230 nan 0.000 0.432 30 A N -0.441 122.381 122.820 0.003 0.000 2.139 30 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 30 A C 2.104 179.687 177.584 -0.002 0.000 1.159 30 A CA 2.319 54.358 52.037 0.002 0.000 0.662 30 A CB -0.790 18.209 19.000 -0.002 0.000 0.796 30 A HN 0.630 nan 8.150 nan 0.000 0.463 31 T N -4.958 109.590 114.554 -0.009 0.000 2.975 31 T HA 0.509 4.859 4.350 -0.000 0.000 0.257 31 T C 0.173 174.867 174.700 -0.011 0.000 1.003 31 T CA -0.331 61.762 62.100 -0.010 0.000 0.932 31 T CB -0.066 68.792 68.868 -0.016 0.000 1.087 31 T HN 0.003 nan 8.240 nan 0.000 0.512 32 L N 3.277 124.493 121.223 -0.013 0.000 2.360 32 L HA 0.599 4.939 4.340 -0.000 0.000 0.271 32 L C -1.984 174.883 176.870 -0.005 0.000 1.057 32 L CA -2.249 52.582 54.840 -0.015 0.000 0.803 32 L CB 0.830 42.873 42.059 -0.027 0.000 1.207 32 L HN -0.001 nan 8.230 nan 0.000 0.445 33 P HA 0.036 nan 4.420 nan 0.000 0.271 33 P C -0.823 176.488 177.300 0.018 0.000 1.238 33 P CA -0.509 62.594 63.100 0.006 0.000 0.794 33 P CB 0.230 31.931 31.700 0.002 0.000 0.959 34 E N -0.677 119.544 120.200 0.036 0.000 2.418 34 E HA -0.124 4.226 4.350 -0.000 0.000 0.261 34 E C 1.220 177.877 176.600 0.094 0.000 1.070 34 E CA -0.200 56.240 56.400 0.067 0.000 0.931 34 E CB 0.102 29.842 29.700 0.067 0.000 0.954 34 E HN 0.496 nan 8.360 nan 0.000 0.439 35 H N 2.477 121.566 119.070 0.032 0.000 2.306 35 H HA -0.229 4.327 4.556 -0.000 0.000 0.289 35 H C 1.956 177.304 175.328 0.033 0.000 1.081 35 H CA 2.934 59.003 56.048 0.036 0.000 1.163 35 H CB -0.580 29.207 29.762 0.041 0.000 1.357 35 H HN 0.701 nan 8.280 nan 0.000 0.524 36 G N -0.646 108.346 108.800 0.321 0.000 2.448 36 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.219 36 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.219 36 G C 1.784 176.733 174.900 0.082 0.000 1.127 36 G CA 0.662 45.904 45.100 0.237 0.000 0.766 36 G HN 0.695 nan 8.290 nan 0.000 0.552 37 A N 0.322 123.178 122.820 0.061 0.000 2.131 37 A HA 0.085 4.404 4.320 -0.000 0.000 0.220 37 A C 1.605 179.187 177.584 -0.003 0.000 1.158 37 A CA 0.293 52.346 52.037 0.026 0.000 0.665 37 A CB -0.169 18.848 19.000 0.027 0.000 0.795 37 A HN 0.394 nan 8.150 nan 0.000 0.460 38 R N 1.053 121.532 120.500 -0.036 0.000 2.537 38 R HA 0.275 4.615 4.340 -0.000 0.000 0.280 38 R C 0.671 176.940 176.300 -0.052 0.000 1.058 38 R CA 0.428 56.490 56.100 -0.063 0.000 1.057 38 R CB 0.567 30.791 30.300 -0.127 0.000 0.973 38 R HN 0.472 nan 8.270 nan 0.000 0.438 39 S N 0.973 116.649 115.700 -0.039 0.000 2.614 39 S HA -0.018 4.452 4.470 -0.000 0.000 0.265 39 S C 1.469 176.049 174.600 -0.034 0.000 1.303 39 S CA -0.170 58.013 58.200 -0.029 0.000 1.000 39 S CB 1.775 64.962 63.200 -0.022 0.000 0.935 39 S HN 0.657 nan 8.310 nan 0.000 0.551 40 S N 2.230 117.915 115.700 -0.025 0.000 2.380 40 S HA -0.206 4.264 4.470 -0.000 0.000 0.229 40 S C 2.023 176.608 174.600 -0.026 0.000 1.043 40 S CA 1.892 60.078 58.200 -0.024 0.000 1.038 40 S CB -1.301 61.889 63.200 -0.017 0.000 0.872 40 S HN 1.097 nan 8.310 nan 0.000 0.456 41 A N 0.938 123.744 122.820 -0.024 0.000 1.872 41 A HA -0.004 4.316 4.320 -0.000 0.000 0.214 41 A C 1.996 179.561 177.584 -0.031 0.000 1.187 41 A CA 1.460 53.482 52.037 -0.024 0.000 0.614 41 A CB -0.774 18.214 19.000 -0.021 0.000 0.826 41 A HN 0.738 nan 8.150 nan 0.000 0.442 42 E N -0.405 119.774 120.200 -0.035 0.000 2.153 42 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 42 E C 2.272 178.839 176.600 -0.055 0.000 0.988 42 E CA 0.950 57.324 56.400 -0.044 0.000 0.811 42 E CB -0.164 29.509 29.700 -0.044 0.000 0.746 42 E HN 0.490 nan 8.360 nan 0.000 0.466 43 R N 0.300 120.765 120.500 -0.059 0.000 2.073 43 R HA -0.022 4.318 4.340 -0.000 0.000 0.229 43 R C 2.349 178.630 176.300 -0.032 0.000 1.120 43 R CA 1.039 57.101 56.100 -0.064 0.000 0.967 43 R CB -0.217 30.045 30.300 -0.063 0.000 0.862 43 R HN 0.096 nan 8.270 nan 0.000 0.436 44 A N 0.769 123.573 122.820 -0.026 0.000 2.067 44 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 44 A C 1.912 179.483 177.584 -0.022 0.000 1.158 44 A CA 1.116 53.143 52.037 -0.016 0.000 0.661 44 A CB -0.199 18.791 19.000 -0.016 0.000 0.801 44 A HN 0.303 nan 8.150 nan 0.000 0.452 45 E N -0.682 119.498 120.200 -0.035 0.000 2.060 45 E HA -0.090 4.260 4.350 -0.000 0.000 0.189 45 E C 1.855 178.413 176.600 -0.070 0.000 0.974 45 E CA 0.955 57.327 56.400 -0.046 0.000 0.808 45 E CB -0.118 29.554 29.700 -0.046 0.000 0.768 45 E HN 0.528 nan 8.360 nan 0.000 0.453 46 I N 1.203 121.724 120.570 -0.082 0.000 2.286 46 I HA -0.168 4.002 4.170 -0.000 0.000 0.248 46 I C 2.066 178.095 176.117 -0.146 0.000 1.115 46 I CA 1.575 62.787 61.300 -0.147 0.000 1.392 46 I CB -0.306 37.624 38.000 -0.116 0.000 1.065 46 I HN 0.046 nan 8.210 nan 0.000 0.418 47 A N 0.597 123.407 122.820 -0.018 0.000 1.930 47 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 47 A C 2.502 180.107 177.584 0.034 0.000 1.175 47 A CA 1.623 53.703 52.037 0.072 0.000 0.627 47 A CB -1.291 17.751 19.000 0.070 0.000 0.815 47 A HN 0.556 nan 8.150 nan 0.000 0.443 48 A N -0.191 122.622 122.820 -0.010 0.000 1.972 48 A HA 0.194 4.514 4.320 -0.000 0.000 0.219 48 A C 2.440 180.006 177.584 -0.030 0.000 1.169 48 A CA 1.904 53.933 52.037 -0.013 0.000 0.635 48 A CB -0.823 18.163 19.000 -0.023 0.000 0.810 48 A HN 0.969 nan 8.150 nan 0.000 0.446 49 A N -1.120 121.650 122.820 -0.082 0.000 1.898 49 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 49 A C 2.064 179.596 177.584 -0.087 0.000 1.181 49 A CA 1.489 53.457 52.037 -0.116 0.000 0.620 49 A CB -0.846 18.039 19.000 -0.192 0.000 0.819 49 A HN 0.608 nan 8.150 nan 0.000 0.442 50 H N -0.379 118.668 119.070 -0.038 0.000 2.290 50 H HA -0.154 4.402 4.556 -0.000 0.000 0.298 50 H C 1.940 177.245 175.328 -0.038 0.000 1.087 50 H CA 1.975 57.994 56.048 -0.048 0.000 1.291 50 H CB -0.618 29.102 29.762 -0.072 0.000 1.369 50 H HN 0.603 nan 8.280 nan 0.000 0.492 51 D N 0.134 120.599 120.400 0.109 0.000 2.116 51 D HA -0.129 4.510 4.640 -0.000 0.000 0.193 51 D C 2.228 178.546 176.300 0.029 0.000 0.998 51 D CA 1.596 55.626 54.000 0.051 0.000 0.836 51 D CB -0.104 40.717 40.800 0.036 0.000 0.951 51 D HN 0.354 nan 8.370 nan 0.000 0.449 52 A N -0.012 122.817 122.820 0.015 0.000 2.015 52 A HA 0.067 4.387 4.320 -0.000 0.000 0.219 52 A C 2.199 179.784 177.584 0.001 0.000 1.163 52 A CA 1.883 53.921 52.037 0.001 0.000 0.646 52 A CB -0.684 18.307 19.000 -0.015 0.000 0.806 52 A HN 0.317 nan 8.150 nan 0.000 0.448 53 A N -0.137 122.689 122.820 0.010 0.000 1.855 53 A HA -0.038 4.282 4.320 -0.000 0.000 0.213 53 A C 2.221 179.822 177.584 0.028 0.000 1.195 53 A CA 1.270 53.312 52.037 0.008 0.000 0.610 53 A CB -0.392 18.624 19.000 0.027 0.000 0.837 53 A HN 0.487 nan 8.150 nan 0.000 0.444 54 R N -0.308 120.217 120.500 0.042 0.000 2.096 54 R HA -0.037 4.303 4.340 -0.000 0.000 0.235 54 R C 2.423 178.747 176.300 0.039 0.000 1.127 54 R CA 1.145 57.268 56.100 0.039 0.000 0.968 54 R CB -0.461 29.849 30.300 0.018 0.000 0.861 54 R HN 0.502 nan 8.270 nan 0.000 0.440 55 A N 1.046 123.884 122.820 0.030 0.000 1.940 55 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 55 A C 2.112 179.721 177.584 0.041 0.000 1.176 55 A CA 1.278 53.331 52.037 0.027 0.000 0.631 55 A CB -0.494 18.517 19.000 0.018 0.000 0.814 55 A HN 0.214 nan 8.150 nan 0.000 0.446 56 L N -1.294 119.953 121.223 0.040 0.000 2.156 56 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 56 L C 2.809 179.749 176.870 0.116 0.000 1.095 56 L CA 0.772 55.645 54.840 0.056 0.000 0.770 56 L CB -0.371 41.693 42.059 0.008 0.000 0.914 56 L HN 0.362 nan 8.230 nan 0.000 0.439 57 R N -0.559 120.008 120.500 0.110 0.000 2.105 57 R HA -0.144 4.196 4.340 -0.000 0.000 0.239 57 R C 2.147 178.566 176.300 0.198 0.000 1.135 57 R CA 1.341 57.552 56.100 0.185 0.000 0.967 57 R CB -0.583 29.803 30.300 0.144 0.000 0.861 57 R HN 0.234 nan 8.270 nan 0.000 0.442 58 V N 0.992 120.976 119.914 0.117 0.000 2.244 58 V HA -0.243 3.877 4.120 -0.000 0.000 0.244 58 V C 2.322 178.458 176.094 0.071 0.000 1.042 58 V CA 1.728 64.072 62.300 0.074 0.000 1.006 58 V CB -0.547 31.297 31.823 0.035 0.000 0.641 58 V HN 0.293 nan 8.190 nan 0.000 0.446 59 R N -0.707 119.843 120.500 0.082 0.000 2.117 59 R HA -0.225 4.115 4.340 -0.000 0.000 0.243 59 R C 2.214 178.577 176.300 0.105 0.000 1.143 59 R CA 2.120 58.262 56.100 0.070 0.000 0.968 59 R CB -0.617 29.728 30.300 0.075 0.000 0.863 59 R HN 0.531 nan 8.270 nan 0.000 0.444 60 F N 1.355 121.337 119.950 0.052 0.000 2.075 60 F HA -0.121 4.406 4.527 -0.000 0.000 0.297 60 F C 1.802 177.644 175.800 0.071 0.000 1.113 60 F CA 1.406 59.477 58.000 0.118 0.000 1.218 60 F CB -0.393 38.762 39.000 0.259 0.000 0.984 60 F HN -0.108 nan 8.300 nan 0.000 0.472 61 L N -0.111 121.008 121.223 -0.174 0.000 2.141 61 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 61 L C 2.111 178.846 176.870 -0.225 0.000 1.094 61 L CA 1.162 55.827 54.840 -0.292 0.000 0.763 61 L CB -0.828 41.166 42.059 -0.108 0.000 0.908 61 L HN 0.098 nan 8.230 nan 0.000 0.437 62 D N -0.193 120.119 120.400 -0.147 0.000 2.221 62 D HA -0.147 4.493 4.640 -0.000 0.000 0.204 62 D C 1.812 178.008 176.300 -0.174 0.000 0.982 62 D CA 2.019 55.940 54.000 -0.131 0.000 0.857 62 D CB 0.158 40.907 40.800 -0.084 0.000 0.934 62 D HN 0.462 nan 8.370 nan 0.000 0.475 63 T N -3.818 110.571 114.554 -0.275 0.000 2.985 63 T HA 0.119 4.469 4.350 -0.000 0.000 0.254 63 T C 1.095 175.551 174.700 -0.407 0.000 1.021 63 T CA -0.067 61.821 62.100 -0.354 0.000 0.957 63 T CB 0.033 68.629 68.868 -0.454 0.000 1.047 63 T HN 0.238 nan 8.240 nan 0.000 0.511 64 H N -0.150 118.746 119.070 -0.291 0.000 2.916 64 H HA 0.646 5.202 4.556 -0.000 0.000 0.262 64 H C 2.072 177.170 175.328 -0.384 0.000 1.178 64 H CA -0.107 55.723 56.048 -0.364 0.000 1.090 64 H CB 0.558 29.969 29.762 -0.584 0.000 1.657 64 H HN 0.345 nan 8.280 nan 0.000 0.601 65 A N 1.114 123.802 122.820 -0.221 0.000 1.851 65 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 65 A C 1.882 179.403 177.584 -0.104 0.000 1.195 65 A CA 2.023 53.946 52.037 -0.190 0.000 0.622 65 A CB -0.352 18.530 19.000 -0.197 0.000 0.831 65 A HN 0.328 nan 8.150 nan 0.000 0.444 66 D N 0.008 120.356 120.400 -0.086 0.000 2.158 66 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 66 D C 2.224 178.508 176.300 -0.028 0.000 0.995 66 D CA 1.593 55.568 54.000 -0.042 0.000 0.846 66 D CB -0.365 40.407 40.800 -0.046 0.000 0.941 66 D HN 0.462 nan 8.370 nan 0.000 0.456 67 A N 0.973 123.766 122.820 -0.044 0.000 1.835 67 A HA -0.149 4.170 4.320 -0.000 0.000 0.215 67 A C 2.630 180.182 177.584 -0.054 0.000 1.199 67 A CA 1.574 53.577 52.037 -0.056 0.000 0.615 67 A CB -1.004 17.975 19.000 -0.034 0.000 0.838 67 A HN 0.120 nan 8.150 nan 0.000 0.444 68 V N -1.280 118.577 119.914 -0.096 0.000 2.313 68 V HA -0.345 3.775 4.120 -0.000 0.000 0.253 68 V C 2.394 178.462 176.094 -0.043 0.000 1.070 68 V CA 2.545 64.727 62.300 -0.197 0.000 1.057 68 V CB -1.092 30.477 31.823 -0.422 0.000 0.653 68 V HN 0.676 nan 8.190 nan 0.000 0.450 69 Y N 0.932 121.164 120.300 -0.113 0.000 2.200 69 Y HA -0.189 4.361 4.550 -0.000 0.000 0.290 69 Y C 2.472 178.302 175.900 -0.117 0.000 1.137 69 Y CA 1.874 59.925 58.100 -0.082 0.000 1.163 69 Y CB -0.308 38.075 38.460 -0.128 0.000 0.988 69 Y HN 0.301 nan 8.280 nan 0.000 0.518 70 D N -0.251 120.075 120.400 -0.123 0.000 2.144 70 D HA -0.192 4.447 4.640 -0.000 0.000 0.199 70 D C 2.213 178.343 176.300 -0.283 0.000 0.984 70 D CA 1.192 54.991 54.000 -0.335 0.000 0.834 70 D CB -0.271 40.161 40.800 -0.613 0.000 0.955 70 D HN 0.346 nan 8.370 nan 0.000 0.465 71 R N 0.343 120.763 120.500 -0.133 0.000 2.115 71 R HA 0.005 4.344 4.340 -0.000 0.000 0.226 71 R C 2.344 178.637 176.300 -0.010 0.000 1.100 71 R CA 0.444 56.534 56.100 -0.018 0.000 0.980 71 R CB -0.104 30.265 30.300 0.115 0.000 0.875 71 R HN 0.169 nan 8.270 nan 0.000 0.445 72 L N -0.007 121.189 121.223 -0.044 0.000 2.291 72 L HA -0.028 4.312 4.340 -0.000 0.000 0.214 72 L C 1.370 178.152 176.870 -0.146 0.000 1.120 72 L CA 1.359 56.164 54.840 -0.058 0.000 0.799 72 L CB 0.107 42.139 42.059 -0.045 0.000 0.925 72 L HN 0.303 nan 8.230 nan 0.000 0.446 73 T N -5.384 109.016 114.554 -0.257 0.000 3.380 73 T HA 0.151 4.500 4.350 -0.000 0.000 0.289 73 T C 0.293 174.923 174.700 -0.117 0.000 1.012 73 T CA -0.368 61.596 62.100 -0.228 0.000 0.944 73 T CB -0.143 68.458 68.868 -0.445 0.000 1.172 73 T HN 0.183 nan 8.240 nan 0.000 0.502 74 D N 2.356 122.732 120.400 -0.040 0.000 2.704 74 D HA -0.261 4.379 4.640 -0.000 0.000 0.232 74 D C -0.509 175.892 176.300 0.168 0.000 1.183 74 D CA 1.064 55.111 54.000 0.078 0.000 0.647 74 D CB -1.977 38.851 40.800 0.047 0.000 1.013 74 D HN 0.870 nan 8.370 nan 0.000 0.415 75 H N -0.922 118.103 119.070 -0.075 0.000 2.935 75 H HA -0.180 4.376 4.556 -0.000 0.000 0.341 75 H C 0.353 175.637 175.328 -0.074 0.000 1.161 75 H CA 0.949 56.965 56.048 -0.054 0.000 1.135 75 H CB -1.134 28.616 29.762 -0.019 0.000 1.605 75 H HN 0.462 nan 8.280 nan 0.000 0.409 76 R N -0.459 119.960 120.500 -0.134 0.000 3.266 76 R HA -0.303 4.037 4.340 -0.000 0.000 0.245 76 R C 1.406 177.736 176.300 0.049 0.000 0.941 76 R CA 1.308 57.235 56.100 -0.288 0.000 0.638 76 R CB -0.729 29.506 30.300 -0.109 0.000 1.019 76 R HN 0.669 nan 8.270 nan 0.000 0.462 77 R N -0.011 120.507 120.500 0.030 0.000 2.446 77 R HA 0.167 4.507 4.340 -0.000 0.000 0.254 77 R C -0.481 175.813 176.300 -0.010 0.000 0.918 77 R CA 0.212 56.333 56.100 0.035 0.000 1.069 77 R CB 1.185 31.505 30.300 0.033 0.000 1.194 77 R HN 0.054 nan 8.270 nan 0.000 0.534 78 V N 2.356 122.276 119.914 0.010 0.000 2.482 78 V HA 0.288 4.407 4.120 -0.000 0.000 0.295 78 V C -0.902 175.258 176.094 0.111 0.000 1.026 78 V CA -1.056 61.249 62.300 0.009 0.000 0.856 78 V CB 1.340 33.176 31.823 0.021 0.000 1.001 78 V HN 0.210 nan 8.190 nan 0.000 0.424 79 H N 5.493 124.665 119.070 0.169 0.000 2.899 79 H HA 0.454 5.010 4.556 -0.000 0.000 0.303 79 H C -0.446 174.959 175.328 0.129 0.000 1.042 79 H CA 0.165 56.297 56.048 0.140 0.000 1.479 79 H CB 0.970 30.748 29.762 0.028 0.000 1.493 79 H HN 0.432 nan 8.280 nan 0.000 0.534 80 L N 4.326 125.729 121.223 0.299 0.000 2.356 80 L HA 0.401 4.741 4.340 -0.000 0.000 0.277 80 L C 0.724 177.712 176.870 0.197 0.000 0.996 80 L CA -0.660 54.300 54.840 0.200 0.000 0.822 80 L CB 1.904 44.054 42.059 0.152 0.000 1.256 80 L HN 0.401 nan 8.230 nan 0.000 0.413 81 R N 1.679 122.268 120.500 0.149 0.000 2.707 81 R HA 0.212 4.552 4.340 -0.000 0.000 0.270 81 R C 1.220 177.610 176.300 0.150 0.000 1.083 81 R CA -0.405 55.775 56.100 0.134 0.000 1.182 81 R CB 0.644 31.007 30.300 0.104 0.000 1.084 81 R HN 0.595 nan 8.270 nan 0.000 0.528 82 L N 1.308 122.619 121.223 0.147 0.000 2.011 82 L HA -0.375 3.965 4.340 -0.000 0.000 0.225 82 L C 2.513 179.476 176.870 0.155 0.000 1.084 82 L CA 2.043 56.981 54.840 0.162 0.000 0.791 82 L CB -0.791 41.352 42.059 0.140 0.000 0.898 82 L HN 0.861 nan 8.230 nan 0.000 0.440 83 A N -0.311 122.582 122.820 0.123 0.000 1.859 83 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 83 A C 2.066 179.707 177.584 0.096 0.000 1.198 83 A CA 2.108 54.206 52.037 0.102 0.000 0.629 83 A CB -0.619 18.431 19.000 0.084 0.000 0.830 83 A HN 0.418 nan 8.150 nan 0.000 0.446 84 E N -0.502 119.756 120.200 0.096 0.000 2.033 84 E HA -0.214 4.136 4.350 -0.000 0.000 0.199 84 E C 1.910 178.568 176.600 0.097 0.000 1.011 84 E CA 1.360 57.812 56.400 0.086 0.000 0.815 84 E CB -0.595 29.159 29.700 0.090 0.000 0.755 84 E HN 0.496 nan 8.360 nan 0.000 0.451 85 L N 0.463 121.773 121.223 0.145 0.000 2.013 85 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 85 L C 2.324 179.288 176.870 0.157 0.000 1.073 85 L CA 1.885 56.841 54.840 0.194 0.000 0.753 85 L CB -0.600 41.653 42.059 0.324 0.000 0.890 85 L HN 0.230 nan 8.230 nan 0.000 0.432 86 V N -3.078 116.923 119.914 0.144 0.000 2.515 86 V HA -0.181 3.939 4.120 -0.000 0.000 0.250 86 V C 2.371 178.424 176.094 -0.069 0.000 1.058 86 V CA 1.692 63.981 62.300 -0.017 0.000 1.064 86 V CB -0.989 30.878 31.823 0.074 0.000 0.675 86 V HN 0.584 nan 8.190 nan 0.000 0.461 87 E N 1.674 121.876 120.200 0.002 0.000 2.015 87 E HA -0.068 4.281 4.350 -0.000 0.000 0.191 87 E C 2.215 178.811 176.600 -0.005 0.000 0.991 87 E CA 1.780 58.180 56.400 0.000 0.000 0.802 87 E CB -0.726 28.987 29.700 0.022 0.000 0.759 87 E HN 0.595 nan 8.360 nan 0.000 0.447 88 A N 1.009 123.837 122.820 0.013 0.000 1.958 88 A HA -0.214 4.105 4.320 -0.000 0.000 0.221 88 A C 2.445 180.048 177.584 0.032 0.000 1.178 88 A CA 2.400 54.452 52.037 0.025 0.000 0.642 88 A CB -1.194 17.828 19.000 0.037 0.000 0.816 88 A HN 0.441 nan 8.150 nan 0.000 0.453 89 A N -0.328 122.465 122.820 -0.045 0.000 1.902 89 A HA 0.164 4.484 4.320 -0.000 0.000 0.217 89 A C 2.532 180.121 177.584 0.008 0.000 1.181 89 A CA 2.146 54.118 52.037 -0.108 0.000 0.623 89 A CB -1.071 17.517 19.000 -0.688 0.000 0.818 89 A HN 1.121 nan 8.150 nan 0.000 0.443 90 A N -0.153 122.641 122.820 -0.043 0.000 1.865 90 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 90 A C 2.483 180.099 177.584 0.053 0.000 1.191 90 A CA 2.843 54.885 52.037 0.008 0.000 0.623 90 A CB -1.507 17.482 19.000 -0.018 0.000 0.826 90 A HN 0.825 nan 8.150 nan 0.000 0.444 91 T N -2.860 111.713 114.554 0.032 0.000 2.951 91 T HA 0.250 4.600 4.350 -0.000 0.000 0.268 91 T C 1.666 176.364 174.700 -0.002 0.000 1.073 91 T CA 1.397 63.507 62.100 0.016 0.000 1.134 91 T CB -0.245 68.624 68.868 0.001 0.000 0.884 91 T HN 0.564 nan 8.240 nan 0.000 0.479 92 A N 0.033 122.867 122.820 0.022 0.000 2.195 92 A HA 0.534 4.854 4.320 -0.000 0.000 0.210 92 A C 0.586 177.918 177.584 -0.421 0.000 1.165 92 A CA -0.137 51.814 52.037 -0.143 0.000 0.806 92 A CB -0.197 18.777 19.000 -0.042 0.000 0.847 92 A HN 0.545 nan 8.150 nan 0.000 0.482 93 F N 0.530 120.485 119.950 0.008 0.000 2.664 93 F HA 0.246 4.772 4.527 -0.000 0.000 0.353 93 F C -2.539 173.450 175.800 0.315 0.000 1.498 93 F CA -2.094 55.970 58.000 0.108 0.000 1.109 93 F CB 1.221 40.267 39.000 0.076 0.000 1.728 93 F HN -0.026 nan 8.300 nan 0.000 0.580 94 P HA 0.096 nan 4.420 nan 0.000 0.260 94 P C 0.908 178.342 177.300 0.222 0.000 1.172 94 P CA 1.636 64.868 63.100 0.219 0.000 0.760 94 P CB 1.210 32.989 31.700 0.132 0.000 0.773 95 G N 2.329 111.197 108.800 0.114 0.000 2.284 95 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.216 95 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.216 95 G C 0.614 175.555 174.900 0.069 0.000 1.009 95 G CA 0.219 45.330 45.100 0.019 0.000 0.625 95 G HN 0.526 nan 8.290 nan 0.000 0.501 96 L N 1.341 122.695 121.223 0.219 0.000 2.005 96 L HA 0.504 4.844 4.340 -0.000 0.000 0.207 96 L C 1.399 178.345 176.870 0.127 0.000 1.072 96 L CA 2.619 57.611 54.840 0.253 0.000 0.744 96 L CB 0.003 42.296 42.059 0.391 0.000 0.895 96 L HN 1.130 nan 8.230 nan 0.000 0.433 97 V N -5.308 114.640 119.914 0.057 0.000 2.971 97 V HA 0.601 4.720 4.120 -0.000 0.000 0.309 97 V C -2.676 173.414 176.094 -0.006 0.000 1.130 97 V CA -2.184 60.116 62.300 0.000 0.000 0.964 97 V CB 0.954 32.700 31.823 -0.129 0.000 1.029 97 V HN -0.065 nan 8.190 nan 0.000 0.427 98 P HA 0.147 nan 4.420 nan 0.000 0.268 98 P C 0.265 177.538 177.300 -0.044 0.000 1.189 98 P CA 0.681 63.751 63.100 -0.050 0.000 0.771 98 P CB 0.192 31.874 31.700 -0.030 0.000 0.822 99 T N -1.587 112.930 114.554 -0.060 0.000 2.897 99 T HA 0.166 4.516 4.350 -0.000 0.000 0.278 99 T C 1.368 176.050 174.700 -0.031 0.000 0.981 99 T CA -0.417 61.661 62.100 -0.036 0.000 0.973 99 T CB 0.668 69.515 68.868 -0.035 0.000 1.092 99 T HN 0.527 nan 8.240 nan 0.000 0.543 100 Q N 0.294 120.084 119.800 -0.017 0.000 2.135 100 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 100 Q C 2.022 178.013 176.000 -0.016 0.000 0.981 100 Q CA 1.517 57.315 55.803 -0.008 0.000 0.856 100 Q CB -0.620 28.117 28.738 -0.002 0.000 0.902 100 Q HN 0.747 nan 8.270 nan 0.000 0.425 101 Q N 1.314 121.099 119.800 -0.024 0.000 2.014 101 Q HA -0.210 4.130 4.340 -0.000 0.000 0.207 101 Q C 2.192 178.169 176.000 -0.039 0.000 0.993 101 Q CA 2.448 58.235 55.803 -0.027 0.000 0.850 101 Q CB -0.243 28.478 28.738 -0.030 0.000 0.916 101 Q HN 0.561 nan 8.270 nan 0.000 0.417 102 Q N 0.074 119.829 119.800 -0.076 0.000 2.096 102 Q HA -0.141 4.198 4.340 -0.000 0.000 0.204 102 Q C 2.191 178.154 176.000 -0.062 0.000 0.982 102 Q CA 1.108 56.834 55.803 -0.128 0.000 0.850 102 Q CB -0.315 28.250 28.738 -0.289 0.000 0.901 102 Q HN 0.361 nan 8.270 nan 0.000 0.422 103 L N 0.391 121.594 121.223 -0.033 0.000 2.083 103 L HA -0.204 4.135 4.340 -0.000 0.000 0.209 103 L C 2.515 179.398 176.870 0.022 0.000 1.083 103 L CA 0.865 55.716 54.840 0.018 0.000 0.752 103 L CB -0.552 41.521 42.059 0.023 0.000 0.899 103 L HN 0.274 nan 8.230 nan 0.000 0.433 104 A N -0.393 122.430 122.820 0.005 0.000 1.877 104 A HA -0.159 4.160 4.320 -0.000 0.000 0.216 104 A C 2.248 179.840 177.584 0.014 0.000 1.186 104 A CA 1.895 53.936 52.037 0.006 0.000 0.620 104 A CB -0.779 18.220 19.000 -0.001 0.000 0.822 104 A HN 0.208 nan 8.150 nan 0.000 0.443 105 V N 0.161 120.083 119.914 0.013 0.000 2.270 105 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 105 V C 2.489 178.614 176.094 0.051 0.000 1.043 105 V CA 2.001 64.317 62.300 0.026 0.000 1.014 105 V CB -0.941 30.895 31.823 0.022 0.000 0.645 105 V HN 0.508 nan 8.190 nan 0.000 0.447 106 E N 0.383 120.629 120.200 0.077 0.000 2.136 106 E HA -0.281 4.069 4.350 -0.000 0.000 0.202 106 E C 2.401 179.052 176.600 0.085 0.000 1.019 106 E CA 1.673 58.144 56.400 0.118 0.000 0.819 106 E CB -0.294 29.510 29.700 0.173 0.000 0.739 106 E HN 0.567 nan 8.360 nan 0.000 0.458 107 R N 0.166 120.701 120.500 0.059 0.000 2.096 107 R HA -0.060 4.280 4.340 -0.000 0.000 0.235 107 R C 2.542 178.856 176.300 0.024 0.000 1.127 107 R CA 1.170 57.291 56.100 0.036 0.000 0.968 107 R CB -0.409 29.901 30.300 0.017 0.000 0.861 107 R HN 0.005 nan 8.270 nan 0.000 0.440 108 S N 0.199 115.914 115.700 0.024 0.000 2.440 108 S HA -0.079 4.390 4.470 -0.000 0.000 0.240 108 S C 0.813 175.424 174.600 0.017 0.000 1.014 108 S CA 0.862 59.073 58.200 0.018 0.000 0.980 108 S CB -0.011 63.201 63.200 0.020 0.000 0.775 108 S HN 0.095 nan 8.310 nan 0.000 0.499 109 L N 1.165 122.401 121.223 0.021 0.000 2.347 109 L HA 0.513 4.852 4.340 -0.000 0.000 0.268 109 L C -2.236 174.634 176.870 -0.001 0.000 1.019 109 L CA -2.765 52.081 54.840 0.009 0.000 0.806 109 L CB 0.884 42.949 42.059 0.010 0.000 1.339 109 L HN 0.020 nan 8.230 nan 0.000 0.463 110 P HA 0.091 nan 4.420 nan 0.000 0.284 110 P C -1.363 175.907 177.300 -0.049 0.000 1.253 110 P CA -0.601 62.479 63.100 -0.032 0.000 0.800 110 P CB 0.770 32.446 31.700 -0.039 0.000 0.961 111 Q N 2.055 121.822 119.800 -0.055 0.000 2.388 111 Q HA 0.132 4.472 4.340 -0.000 0.000 0.302 111 Q C 0.766 176.711 176.000 -0.091 0.000 1.149 111 Q CA 1.172 56.921 55.803 -0.089 0.000 1.014 111 Q CB -0.331 28.315 28.738 -0.153 0.000 1.072 111 Q HN 0.728 nan 8.270 nan 0.000 0.395 112 A N 2.002 124.768 122.820 -0.090 0.000 4.131 112 A HA -0.020 4.300 4.320 -0.000 0.000 0.172 112 A C 0.780 178.124 177.584 -0.400 0.000 1.179 112 A CA 0.336 52.287 52.037 -0.143 0.000 1.871 112 A CB -1.331 17.613 19.000 -0.094 0.000 0.557 112 A HN 0.662 nan 8.150 nan 0.000 0.617 113 A N -0.010 122.574 122.820 -0.394 0.000 2.470 113 A HA 0.482 4.802 4.320 -0.000 0.000 0.251 113 A C 0.598 178.096 177.584 -0.144 0.000 1.245 113 A CA 0.381 52.055 52.037 -0.604 0.000 0.932 113 A CB 0.028 18.811 19.000 -0.362 0.000 1.037 113 A HN 0.396 nan 8.150 nan 0.000 0.522 114 K N 0.716 121.093 120.400 -0.039 0.000 2.154 114 K HA 0.244 4.564 4.320 -0.000 0.000 0.264 114 K C -0.083 176.490 176.600 -0.045 0.000 1.008 114 K CA -0.434 55.877 56.287 0.041 0.000 0.937 114 K CB 0.754 33.376 32.500 0.203 0.000 1.002 114 K HN 0.051 nan 8.250 nan 0.000 0.469 115 E N 0.600 120.697 120.200 -0.172 0.000 2.502 115 E HA 0.019 4.368 4.350 -0.000 0.000 0.194 115 E C 0.423 176.534 176.600 -0.814 0.000 1.062 115 E CA 0.104 56.271 56.400 -0.388 0.000 0.867 115 E CB -0.038 29.437 29.700 -0.375 0.000 0.888 115 E HN 0.985 nan 8.360 nan 0.000 0.510 116 G N 1.867 110.184 108.800 -0.804 0.000 2.367 116 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.295 116 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.295 116 G C 0.302 174.616 174.900 -0.976 0.000 1.019 116 G CA 0.760 44.975 45.100 -1.474 0.000 1.224 116 G HN 0.436 nan 8.290 nan 0.000 0.510 117 H N -0.518 118.283 119.070 -0.449 0.000 2.470 117 H HA 0.072 4.627 4.556 -0.000 0.000 0.289 117 H C 2.458 177.686 175.328 -0.167 0.000 1.033 117 H CA 1.371 57.278 56.048 -0.235 0.000 1.331 117 H CB 0.247 29.946 29.762 -0.105 0.000 1.414 117 H HN 0.650 nan 8.280 nan 0.000 0.545 118 E N 0.780 120.952 120.200 -0.048 0.000 2.130 118 E HA -0.198 4.151 4.350 -0.000 0.000 0.196 118 E C 1.852 178.463 176.600 0.018 0.000 0.998 118 E CA 1.158 57.593 56.400 0.060 0.000 0.806 118 E CB -0.150 29.677 29.700 0.211 0.000 0.738 118 E HN 0.546 nan 8.360 nan 0.000 0.459 119 I N 1.856 122.369 120.570 -0.096 0.000 2.300 119 I HA -0.323 3.847 4.170 -0.000 0.000 0.252 119 I C 1.786 177.899 176.117 -0.006 0.000 1.119 119 I CA 1.108 62.369 61.300 -0.066 0.000 1.384 119 I CB -0.440 37.467 38.000 -0.155 0.000 1.062 119 I HN 0.082 nan 8.210 nan 0.000 0.426 120 D N 0.542 120.949 120.400 0.011 0.000 2.117 120 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 120 D C 2.236 178.613 176.300 0.127 0.000 0.982 120 D CA 1.138 55.180 54.000 0.071 0.000 0.828 120 D CB -0.292 40.556 40.800 0.079 0.000 0.967 120 D HN 0.502 nan 8.370 nan 0.000 0.464 121 Q N 0.324 120.196 119.800 0.120 0.000 2.170 121 Q HA -0.059 4.280 4.340 -0.000 0.000 0.203 121 Q C 2.263 178.377 176.000 0.191 0.000 0.976 121 Q CA 1.258 57.171 55.803 0.183 0.000 0.858 121 Q CB -0.227 28.597 28.738 0.143 0.000 0.907 121 Q HN 0.263 nan 8.270 nan 0.000 0.433 122 G N 1.218 110.080 108.800 0.103 0.000 2.404 122 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.215 122 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.215 122 G C 1.425 176.351 174.900 0.043 0.000 1.174 122 G CA 0.510 45.638 45.100 0.047 0.000 0.780 122 G HN 0.220 nan 8.290 nan 0.000 0.537 123 I N -0.264 120.345 120.570 0.065 0.000 2.286 123 I HA -0.122 4.048 4.170 -0.000 0.000 0.248 123 I C 2.417 178.586 176.117 0.087 0.000 1.115 123 I CA 0.914 62.250 61.300 0.060 0.000 1.392 123 I CB -0.266 37.782 38.000 0.080 0.000 1.065 123 I HN 0.170 nan 8.210 nan 0.000 0.418 124 F N 1.819 121.778 119.950 0.015 0.000 2.051 124 F HA -0.184 4.342 4.527 -0.000 0.000 0.296 124 F C 2.235 178.037 175.800 0.003 0.000 1.122 124 F CA 1.667 59.677 58.000 0.017 0.000 1.201 124 F CB -0.492 38.533 39.000 0.042 0.000 0.978 124 F HN -0.152 nan 8.300 nan 0.000 0.472 125 L N 0.278 121.449 121.223 -0.086 0.000 2.187 125 L HA -0.219 4.121 4.340 -0.000 0.000 0.213 125 L C 2.694 179.444 176.870 -0.199 0.000 1.100 125 L CA 1.641 56.371 54.840 -0.184 0.000 0.765 125 L CB -0.661 41.404 42.059 0.010 0.000 0.904 125 L HN 0.211 nan 8.230 nan 0.000 0.437 126 R N 0.313 120.729 120.500 -0.139 0.000 2.090 126 R HA -0.102 4.237 4.340 -0.000 0.000 0.228 126 R C 2.306 178.505 176.300 -0.169 0.000 1.110 126 R CA 1.157 57.176 56.100 -0.135 0.000 0.973 126 R CB -0.138 30.105 30.300 -0.095 0.000 0.869 126 R HN 0.276 nan 8.270 nan 0.000 0.440 127 A N 0.604 123.307 122.820 -0.195 0.000 1.873 127 A HA -0.061 4.259 4.320 -0.000 0.000 0.215 127 A C 2.228 179.649 177.584 -0.270 0.000 1.186 127 A CA 1.425 53.339 52.037 -0.205 0.000 0.616 127 A CB -0.526 18.363 19.000 -0.185 0.000 0.823 127 A HN 0.203 nan 8.150 nan 0.000 0.442 128 V N 0.205 119.884 119.914 -0.391 0.000 2.407 128 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 128 V C 2.449 178.334 176.094 -0.348 0.000 1.055 128 V CA 1.887 63.925 62.300 -0.437 0.000 1.049 128 V CB -0.707 30.781 31.823 -0.559 0.000 0.662 128 V HN 0.556 nan 8.190 nan 0.000 0.455 129 L N -0.709 120.352 121.223 -0.270 0.000 2.313 129 L HA -0.022 4.318 4.340 -0.000 0.000 0.214 129 L C 2.582 179.348 176.870 -0.173 0.000 1.119 129 L CA 0.949 55.664 54.840 -0.209 0.000 0.809 129 L CB -0.443 41.504 42.059 -0.187 0.000 0.933 129 L HN 0.248 nan 8.230 nan 0.000 0.449 130 R N -0.515 119.885 120.500 -0.168 0.000 2.193 130 R HA 0.002 4.342 4.340 -0.000 0.000 0.213 130 R C 1.179 177.405 176.300 -0.124 0.000 1.055 130 R CA 0.173 56.194 56.100 -0.131 0.000 0.995 130 R CB -0.068 30.160 30.300 -0.120 0.000 0.893 130 R HN 0.088 nan 8.270 nan 0.000 0.459 131 S N 2.470 118.076 115.700 -0.157 0.000 2.481 131 S HA 0.123 4.593 4.470 -0.000 0.000 0.276 131 S C -1.527 172.999 174.600 -0.123 0.000 1.247 131 S CA -1.617 56.496 58.200 -0.146 0.000 1.053 131 S CB 0.966 64.048 63.200 -0.196 0.000 0.925 131 S HN 0.027 nan 8.310 nan 0.000 0.491 132 P HA -0.024 nan 4.420 nan 0.000 0.239 132 P C 0.966 178.242 177.300 -0.039 0.000 1.184 132 P CA 0.585 63.655 63.100 -0.050 0.000 0.760 132 P CB 0.177 31.858 31.700 -0.031 0.000 0.884 133 L N -0.859 120.324 121.223 -0.066 0.000 2.356 133 L HA 0.209 4.549 4.340 -0.000 0.000 0.193 133 L C 2.562 179.378 176.870 -0.089 0.000 1.087 133 L CA 1.065 55.880 54.840 -0.043 0.000 0.817 133 L CB -0.945 41.093 42.059 -0.033 0.000 1.035 133 L HN -0.144 nan 8.230 nan 0.000 0.482 134 A N 0.164 122.823 122.820 -0.269 0.000 2.067 134 A HA 0.072 4.392 4.320 -0.000 0.000 0.217 134 A C 2.160 179.460 177.584 -0.474 0.000 1.156 134 A CA 1.095 52.729 52.037 -0.671 0.000 0.683 134 A CB -0.829 17.402 19.000 -1.282 0.000 0.808 134 A HN 0.416 nan 8.150 nan 0.000 0.455 135 G N 0.967 109.605 108.800 -0.271 0.000 2.604 135 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.216 135 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.216 135 G C -0.344 174.519 174.900 -0.062 0.000 1.265 135 G CA 1.372 46.369 45.100 -0.172 0.000 0.804 135 G HN 0.457 nan 8.290 nan 0.000 0.579 136 P HA -0.116 nan 4.420 nan 0.000 0.221 136 P C 1.499 178.857 177.300 0.095 0.000 1.145 136 P CA 1.222 64.356 63.100 0.056 0.000 0.795 136 P CB -0.095 31.640 31.700 0.059 0.000 0.775 137 H N -0.459 118.637 119.070 0.044 0.000 2.372 137 H HA -0.015 4.541 4.556 -0.000 0.000 0.301 137 H C 1.744 177.194 175.328 0.203 0.000 1.065 137 H CA 1.054 57.207 56.048 0.175 0.000 1.364 137 H CB -0.556 29.343 29.762 0.229 0.000 1.406 137 H HN -0.020 nan 8.280 nan 0.000 0.521 138 L N 0.967 122.350 121.223 0.268 0.000 2.201 138 L HA -0.066 4.274 4.340 -0.000 0.000 0.212 138 L C 2.273 179.211 176.870 0.113 0.000 1.105 138 L CA 1.037 56.029 54.840 0.253 0.000 0.775 138 L CB -0.638 41.505 42.059 0.140 0.000 0.913 138 L HN 0.218 nan 8.230 nan 0.000 0.440 139 L N -1.095 120.171 121.223 0.073 0.000 2.156 139 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 139 L C 2.085 178.974 176.870 0.032 0.000 1.095 139 L CA 0.904 55.796 54.840 0.087 0.000 0.770 139 L CB -0.637 41.502 42.059 0.134 0.000 0.914 139 L HN 0.243 nan 8.230 nan 0.000 0.439 140 D N 0.257 120.616 120.400 -0.068 0.000 2.178 140 D HA -0.102 4.538 4.640 -0.000 0.000 0.202 140 D C 2.179 178.259 176.300 -0.367 0.000 0.974 140 D CA 1.298 55.169 54.000 -0.215 0.000 0.841 140 D CB 0.246 40.869 40.800 -0.296 0.000 0.953 140 D HN 0.267 nan 8.370 nan 0.000 0.478 141 A N 0.463 123.069 122.820 -0.357 0.000 2.015 141 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 141 A C 2.040 179.586 177.584 -0.064 0.000 1.163 141 A CA 0.970 52.862 52.037 -0.240 0.000 0.646 141 A CB -0.234 18.783 19.000 0.029 0.000 0.806 141 A HN 0.101 nan 8.150 nan 0.000 0.448 142 M N -0.783 118.810 119.600 -0.012 0.000 2.447 142 M HA 0.183 4.662 4.480 -0.000 0.000 0.264 142 M C 1.721 178.031 176.300 0.018 0.000 1.095 142 M CA 0.826 56.148 55.300 0.036 0.000 1.125 142 M CB -0.902 31.745 32.600 0.078 0.000 1.389 142 M HN 0.378 nan 8.290 nan 0.000 0.459 143 L N -0.971 120.239 121.223 -0.022 0.000 2.341 143 L HA 0.016 4.356 4.340 -0.000 0.000 0.214 143 L C 1.255 178.101 176.870 -0.040 0.000 1.115 143 L CA 0.046 54.860 54.840 -0.043 0.000 0.820 143 L CB -0.151 41.856 42.059 -0.086 0.000 0.944 143 L HN 0.158 nan 8.230 nan 0.000 0.452 144 R N 1.209 121.679 120.500 -0.051 0.000 2.756 144 R HA 0.037 4.377 4.340 -0.000 0.000 0.264 144 R C -2.099 174.208 176.300 0.012 0.000 1.026 144 R CA -1.281 54.808 56.100 -0.018 0.000 1.121 144 R CB 0.003 30.291 30.300 -0.021 0.000 0.999 144 R HN -0.076 nan 8.270 nan 0.000 0.449 145 P HA -0.002 nan 4.420 nan 0.000 0.275 145 P C -0.509 176.812 177.300 0.035 0.000 1.227 145 P CA -0.188 62.932 63.100 0.033 0.000 0.781 145 P CB 0.833 32.558 31.700 0.041 0.000 0.906 146 T N 0.336 114.910 114.554 0.032 0.000 2.899 146 T HA 0.205 4.555 4.350 -0.000 0.000 0.295 146 T C -1.803 172.916 174.700 0.032 0.000 1.033 146 T CA -1.635 60.485 62.100 0.034 0.000 1.084 146 T CB 0.008 68.894 68.868 0.031 0.000 0.979 146 T HN 0.170 nan 8.240 nan 0.000 0.532 147 P HA -0.115 nan 4.420 nan 0.000 0.216 147 P C 1.732 179.047 177.300 0.026 0.000 1.153 147 P CA 0.933 64.052 63.100 0.032 0.000 0.858 147 P CB 0.070 31.790 31.700 0.033 0.000 0.789 148 R N -0.302 120.211 120.500 0.021 0.000 2.070 148 R HA -0.113 4.227 4.340 -0.000 0.000 0.233 148 R C 2.095 178.400 176.300 0.009 0.000 1.137 148 R CA 1.760 57.868 56.100 0.013 0.000 0.945 148 R CB -0.910 29.394 30.300 0.006 0.000 0.845 148 R HN 0.055 nan 8.270 nan 0.000 0.430 149 A N 1.361 124.184 122.820 0.004 0.000 1.883 149 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 149 A C 2.272 179.869 177.584 0.022 0.000 1.186 149 A CA 1.342 53.378 52.037 -0.002 0.000 0.624 149 A CB -0.714 18.285 19.000 -0.002 0.000 0.822 149 A HN 0.371 nan 8.150 nan 0.000 0.444 150 L N -0.692 120.549 121.223 0.030 0.000 2.042 150 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 150 L C 2.680 179.574 176.870 0.040 0.000 1.076 150 L CA 1.880 56.743 54.840 0.039 0.000 0.749 150 L CB -0.674 41.407 42.059 0.037 0.000 0.893 150 L HN 0.532 nan 8.230 nan 0.000 0.432 151 E N 0.091 120.311 120.200 0.033 0.000 2.058 151 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 151 E C 2.101 178.726 176.600 0.042 0.000 0.997 151 E CA 1.242 57.662 56.400 0.033 0.000 0.801 151 E CB -0.164 29.552 29.700 0.026 0.000 0.746 151 E HN 0.488 nan 8.360 nan 0.000 0.450 152 L N 0.944 122.192 121.223 0.042 0.000 2.599 152 L HA -0.034 4.306 4.340 -0.000 0.000 0.230 152 L C 2.174 179.110 176.870 0.110 0.000 1.141 152 L CA -0.359 54.518 54.840 0.062 0.000 0.877 152 L CB -0.114 41.966 42.059 0.034 0.000 1.009 152 L HN 0.152 nan 8.230 nan 0.000 0.447 153 L N 1.829 123.112 121.223 0.101 0.000 2.043 153 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 153 L C -0.135 176.828 176.870 0.155 0.000 1.075 153 L CA 2.243 57.171 54.840 0.146 0.000 0.752 153 L CB -1.289 40.832 42.059 0.104 0.000 0.891 153 L HN 0.141 nan 8.230 nan 0.000 0.432 154 P HA -0.146 nan 4.420 nan 0.000 0.214 154 P C 1.232 178.578 177.300 0.077 0.000 1.162 154 P CA 1.179 64.322 63.100 0.073 0.000 0.871 154 P CB -0.089 31.641 31.700 0.051 0.000 0.783 155 E N -0.960 119.296 120.200 0.092 0.000 2.204 155 E HA -0.143 4.206 4.350 -0.000 0.000 0.195 155 E C 1.827 178.510 176.600 0.138 0.000 0.990 155 E CA 0.620 57.075 56.400 0.092 0.000 0.821 155 E CB -0.812 28.941 29.700 0.088 0.000 0.750 155 E HN 0.237 nan 8.360 nan 0.000 0.477 156 F N 0.900 120.863 119.950 0.020 0.000 2.098 156 F HA -0.139 4.388 4.527 -0.000 0.000 0.294 156 F C 2.231 178.042 175.800 0.017 0.000 1.107 156 F CA 0.721 58.734 58.000 0.022 0.000 1.234 156 F CB -0.605 38.410 39.000 0.025 0.000 1.002 156 F HN -0.223 nan 8.300 nan 0.000 0.472 157 V N 0.947 120.806 119.914 -0.091 0.000 2.453 157 V HA -0.310 3.810 4.120 -0.000 0.000 0.252 157 V C 2.619 178.622 176.094 -0.152 0.000 1.068 157 V CA 2.235 64.433 62.300 -0.171 0.000 1.070 157 V CB -0.715 31.081 31.823 -0.046 0.000 0.664 157 V HN 0.290 nan 8.190 nan 0.000 0.461 158 R N -0.012 120.440 120.500 -0.080 0.000 2.040 158 R HA -0.099 4.241 4.340 -0.000 0.000 0.219 158 R C 2.677 178.934 176.300 -0.072 0.000 1.216 158 R CA 1.734 57.800 56.100 -0.057 0.000 0.952 158 R CB -0.736 29.556 30.300 -0.013 0.000 0.833 158 R HN 0.614 nan 8.270 nan 0.000 0.456 159 T N -2.252 112.282 114.554 -0.033 0.000 2.759 159 T HA -0.044 4.306 4.350 -0.000 0.000 0.269 159 T C 1.402 176.071 174.700 -0.051 0.000 1.042 159 T CA 1.343 63.435 62.100 -0.013 0.000 1.140 159 T CB -0.503 68.394 68.868 0.047 0.000 0.864 159 T HN 0.600 nan 8.240 nan 0.000 0.455 160 G N 1.084 109.785 108.800 -0.166 0.000 2.147 160 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.244 160 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.244 160 G C -0.199 174.721 174.900 0.033 0.000 1.005 160 G CA 0.390 45.316 45.100 -0.290 0.000 0.713 160 G HN 1.048 nan 8.290 nan 0.000 0.515 161 E N -0.786 119.568 120.200 0.255 0.000 2.397 161 E HA 0.519 4.868 4.350 -0.000 0.000 0.293 161 E C -0.815 175.994 176.600 0.348 0.000 0.930 161 E CA -0.754 55.863 56.400 0.361 0.000 0.793 161 E CB 2.028 31.870 29.700 0.237 0.000 1.259 161 E HN 0.307 nan 8.360 nan 0.000 0.406 162 V N 2.932 123.022 119.914 0.292 0.000 3.046 162 V HA 0.573 4.693 4.120 -0.000 0.000 0.316 162 V C -0.510 175.683 176.094 0.165 0.000 1.104 162 V CA -0.735 61.652 62.300 0.144 0.000 1.006 162 V CB 1.988 33.794 31.823 -0.028 0.000 1.058 162 V HN 0.787 nan 8.190 nan 0.000 0.440 163 E N 1.868 122.116 120.200 0.080 0.000 2.759 163 E HA 0.431 4.781 4.350 -0.000 0.000 0.318 163 E C -1.137 175.473 176.600 0.016 0.000 1.093 163 E CA -0.240 56.188 56.400 0.048 0.000 0.762 163 E CB 0.951 30.631 29.700 -0.032 0.000 1.543 163 E HN 0.664 nan 8.360 nan 0.000 0.381 164 M N 1.245 120.855 119.600 0.018 0.000 2.368 164 M HA 0.228 4.708 4.480 -0.000 0.000 0.311 164 M C 1.461 177.761 176.300 -0.000 0.000 1.168 164 M CA -0.180 55.119 55.300 -0.001 0.000 1.044 164 M CB 1.031 33.621 32.600 -0.017 0.000 1.506 164 M HN 0.412 nan 8.290 nan 0.000 0.475 165 E N 1.195 121.393 120.200 -0.003 0.000 2.114 165 E HA -0.257 4.093 4.350 -0.000 0.000 0.199 165 E C 1.351 177.952 176.600 0.002 0.000 1.008 165 E CA 2.188 58.587 56.400 -0.000 0.000 0.810 165 E CB 0.180 29.881 29.700 0.002 0.000 0.739 165 E HN 0.773 nan 8.360 nan 0.000 0.456 166 A N 0.688 123.505 122.820 -0.004 0.000 1.908 166 A HA 0.176 4.495 4.320 -0.000 0.000 0.217 166 A C 1.288 178.867 177.584 -0.009 0.000 1.378 166 A CA 0.555 52.587 52.037 -0.009 0.000 0.613 166 A CB -0.566 18.423 19.000 -0.019 0.000 1.053 166 A HN 0.124 nan 8.150 nan 0.000 0.484 167 V N 0.361 120.262 119.914 -0.023 0.000 3.546 167 V HA 0.190 4.310 4.120 -0.000 0.000 0.296 167 V C 0.427 176.565 176.094 0.074 0.000 1.082 167 V CA 0.216 62.512 62.300 -0.008 0.000 1.086 167 V CB 0.578 32.366 31.823 -0.057 0.000 1.174 167 V HN 0.723 nan 8.190 nan 0.000 0.464 168 H N 1.092 120.143 119.070 -0.032 0.000 3.198 168 H HA 0.361 4.917 4.556 -0.000 0.000 0.317 168 H C -1.582 173.747 175.328 0.003 0.000 1.178 168 H CA -0.936 55.105 56.048 -0.012 0.000 1.609 168 H CB 1.184 30.946 29.762 0.000 0.000 1.819 168 H HN 0.492 nan 8.280 nan 0.000 0.533 169 L N 3.627 124.837 121.223 -0.022 0.000 2.395 169 L HA 0.353 4.693 4.340 -0.000 0.000 0.269 169 L C -0.260 176.600 176.870 -0.017 0.000 1.133 169 L CA 0.427 55.208 54.840 -0.098 0.000 0.812 169 L CB 1.075 43.005 42.059 -0.215 0.000 1.125 169 L HN 0.828 nan 8.230 nan 0.000 0.452 170 E N 4.512 124.738 120.200 0.043 0.000 2.428 170 E HA 0.151 4.500 4.350 -0.000 0.000 0.307 170 E C -1.195 175.473 176.600 0.113 0.000 0.902 170 E CA -0.634 55.834 56.400 0.112 0.000 0.799 170 E CB 0.974 30.636 29.700 -0.064 0.000 1.351 170 E HN 0.696 nan 8.360 nan 0.000 0.392 171 R N 3.199 123.771 120.500 0.120 0.000 2.643 171 R HA 0.296 4.636 4.340 -0.000 0.000 0.270 171 R C -0.330 175.955 176.300 -0.024 0.000 1.061 171 R CA 0.217 56.319 56.100 0.003 0.000 1.107 171 R CB 0.654 30.850 30.300 -0.173 0.000 0.999 171 R HN 0.576 nan 8.270 nan 0.000 0.460 172 R N 2.898 123.378 120.500 -0.033 0.000 3.146 172 R HA 0.050 4.389 4.340 -0.000 0.000 0.235 172 R C -1.502 174.776 176.300 -0.036 0.000 1.624 172 R CA -0.056 56.026 56.100 -0.031 0.000 0.995 172 R CB 0.192 30.481 30.300 -0.018 0.000 1.490 172 R HN 0.899 nan 8.270 nan 0.000 0.434 173 D N 2.207 122.583 120.400 -0.041 0.000 3.124 173 D HA -0.125 4.515 4.640 -0.000 0.000 0.212 173 D C 0.542 176.813 176.300 -0.048 0.000 1.092 173 D CA 1.754 55.731 54.000 -0.040 0.000 0.939 173 D CB -1.105 39.675 40.800 -0.034 0.000 1.088 173 D HN 1.001 nan 8.370 nan 0.000 0.432 174 G N -1.243 107.524 108.800 -0.055 0.000 2.141 174 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.231 174 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.231 174 G C 0.163 175.017 174.900 -0.076 0.000 0.984 174 G CA 0.196 45.259 45.100 -0.062 0.000 0.660 174 G HN 0.641 nan 8.290 nan 0.000 0.525 175 V N 0.614 120.486 119.914 -0.070 0.000 2.384 175 V HA 0.747 4.867 4.120 -0.000 0.000 0.287 175 V C 0.763 176.820 176.094 -0.062 0.000 1.020 175 V CA -0.246 62.001 62.300 -0.088 0.000 0.850 175 V CB 1.588 33.367 31.823 -0.074 0.000 0.987 175 V HN 1.099 nan 8.190 nan 0.000 0.436 176 A N 5.512 128.273 122.820 -0.098 0.000 3.037 176 A HA 0.319 4.639 4.320 -0.000 0.000 0.272 176 A C 0.682 178.257 177.584 -0.014 0.000 1.723 176 A CA -0.376 51.655 52.037 -0.010 0.000 1.413 176 A CB -0.635 18.337 19.000 -0.046 0.000 1.112 176 A HN 0.839 nan 8.150 nan 0.000 0.606 177 R N 0.907 121.402 120.500 -0.007 0.000 2.457 177 R HA 0.200 4.540 4.340 -0.000 0.000 0.335 177 R C -0.798 175.485 176.300 -0.028 0.000 1.003 177 R CA 0.020 56.108 56.100 -0.020 0.000 1.003 177 R CB -0.080 30.188 30.300 -0.053 0.000 0.950 177 R HN 0.480 nan 8.270 nan 0.000 0.428 178 L N 2.230 123.484 121.223 0.052 0.000 2.379 178 L HA 0.371 4.711 4.340 -0.000 0.000 0.269 178 L C 0.251 177.114 176.870 -0.012 0.000 1.084 178 L CA 0.385 55.245 54.840 0.034 0.000 0.802 178 L CB 2.023 44.166 42.059 0.140 0.000 1.175 178 L HN 0.556 nan 8.230 nan 0.000 0.448 179 T N 2.520 117.050 114.554 -0.042 0.000 3.355 179 T HA 0.359 4.709 4.350 -0.000 0.000 0.324 179 T C -0.296 174.388 174.700 -0.026 0.000 0.932 179 T CA -0.470 61.612 62.100 -0.030 0.000 1.032 179 T CB 0.706 69.564 68.868 -0.017 0.000 1.027 179 T HN 0.359 nan 8.240 nan 0.000 0.456 180 M N 2.995 122.549 119.600 -0.077 0.000 2.821 180 M HA 0.204 4.684 4.480 -0.000 0.000 0.305 180 M C 0.475 176.734 176.300 -0.068 0.000 1.466 180 M CA -0.547 54.697 55.300 -0.094 0.000 1.526 180 M CB -0.566 31.927 32.600 -0.178 0.000 1.321 180 M HN 0.727 nan 8.290 nan 0.000 0.492 181 C N 2.112 121.400 119.300 -0.018 0.000 2.227 181 C HA 0.553 5.013 4.460 -0.000 0.000 0.333 181 C C 0.636 175.621 174.990 -0.009 0.000 1.145 181 C CA -0.804 58.212 59.018 -0.004 0.000 1.643 181 C CB -0.332 27.427 27.740 0.032 0.000 2.185 181 C HN 0.768 nan 8.230 nan 0.000 0.497 182 R N 2.454 122.943 120.500 -0.019 0.000 2.648 182 R HA 0.105 4.445 4.340 -0.000 0.000 0.341 182 R C 0.943 177.244 176.300 0.003 0.000 1.154 182 R CA 0.010 56.106 56.100 -0.006 0.000 1.228 182 R CB 0.168 30.461 30.300 -0.011 0.000 1.311 182 R HN 1.020 nan 8.270 nan 0.000 0.659 183 D N 0.467 120.874 120.400 0.012 0.000 2.239 183 D HA -0.251 4.389 4.640 -0.000 0.000 0.202 183 D C 0.986 177.333 176.300 0.078 0.000 0.993 183 D CA 1.628 55.650 54.000 0.037 0.000 0.874 183 D CB 0.104 40.929 40.800 0.041 0.000 0.922 183 D HN 0.385 nan 8.370 nan 0.000 0.464 184 D N 1.481 121.918 120.400 0.062 0.000 2.117 184 D HA -0.236 4.404 4.640 -0.000 0.000 0.198 184 D C 1.686 178.053 176.300 0.112 0.000 0.982 184 D CA 1.171 55.218 54.000 0.079 0.000 0.828 184 D CB -0.483 40.346 40.800 0.048 0.000 0.967 184 D HN 0.550 nan 8.370 nan 0.000 0.464 185 R N -0.067 120.475 120.500 0.070 0.000 2.629 185 R HA 0.261 4.601 4.340 -0.000 0.000 0.386 185 R C 0.405 176.715 176.300 0.016 0.000 1.071 185 R CA -0.595 55.538 56.100 0.055 0.000 1.104 185 R CB 0.276 30.591 30.300 0.026 0.000 1.370 185 R HN -0.139 nan 8.270 nan 0.000 0.574 186 L N 1.532 122.746 121.223 -0.015 0.000 4.001 186 L HA -0.279 4.060 4.340 -0.000 0.000 0.413 186 L C -0.743 176.078 176.870 -0.082 0.000 1.185 186 L CA 1.034 55.810 54.840 -0.107 0.000 0.963 186 L CB -2.229 39.758 42.059 -0.121 0.000 1.976 186 L HN 0.728 nan 8.230 nan 0.000 0.939 187 N N -2.011 116.656 118.700 -0.054 0.000 2.746 187 N HA -0.168 4.572 4.740 -0.000 0.000 0.250 187 N C 0.628 176.131 175.510 -0.012 0.000 1.055 187 N CA 1.140 54.158 53.050 -0.053 0.000 0.699 187 N CB -0.553 37.859 38.487 -0.124 0.000 0.919 187 N HN 0.660 nan 8.380 nan 0.000 0.548 188 A N 0.628 123.457 122.820 0.014 0.000 2.409 188 A HA 0.296 4.616 4.320 -0.000 0.000 0.267 188 A C 0.695 178.329 177.584 0.083 0.000 1.127 188 A CA -0.276 51.786 52.037 0.041 0.000 0.795 188 A CB 0.449 19.452 19.000 0.005 0.000 1.061 188 A HN 0.303 nan 8.150 nan 0.000 0.502 189 E N 1.534 121.827 120.200 0.154 0.000 2.415 189 E HA 0.312 4.662 4.350 -0.000 0.000 0.262 189 E C -0.483 176.245 176.600 0.213 0.000 1.038 189 E CA 0.763 57.337 56.400 0.290 0.000 0.921 189 E CB 0.429 30.440 29.700 0.518 0.000 0.950 189 E HN 0.840 nan 8.360 nan 0.000 0.438 190 D N -0.117 120.388 120.400 0.175 0.000 2.838 190 D HA 0.256 4.896 4.640 -0.000 0.000 0.334 190 D C 0.853 177.052 176.300 -0.167 0.000 1.315 190 D CA -0.630 53.261 54.000 -0.180 0.000 0.917 190 D CB -0.057 40.809 40.800 0.109 0.000 1.435 190 D HN 0.289 nan 8.370 nan 0.000 0.517 191 G N -0.936 107.695 108.800 -0.281 0.000 2.440 191 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 191 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 191 G C 1.358 176.300 174.900 0.070 0.000 1.154 191 G CA 1.304 46.361 45.100 -0.071 0.000 0.767 191 G HN 0.389 nan 8.290 nan 0.000 0.552 192 Q N -0.085 119.725 119.800 0.018 0.000 1.994 192 Q HA -0.024 4.316 4.340 -0.000 0.000 0.198 192 Q C 2.597 178.631 176.000 0.056 0.000 0.976 192 Q CA 1.809 57.630 55.803 0.031 0.000 0.828 192 Q CB -0.755 27.987 28.738 0.006 0.000 0.894 192 Q HN 0.432 nan 8.270 nan 0.000 0.432 193 Q N -0.390 119.454 119.800 0.074 0.000 2.142 193 Q HA -0.181 4.159 4.340 -0.000 0.000 0.213 193 Q C 1.875 177.903 176.000 0.047 0.000 1.004 193 Q CA 2.463 58.305 55.803 0.065 0.000 0.883 193 Q CB -0.689 28.116 28.738 0.112 0.000 0.939 193 Q HN 0.325 nan 8.270 nan 0.000 0.413 194 V N 0.882 120.898 119.914 0.171 0.000 2.427 194 V HA -0.228 3.891 4.120 -0.000 0.000 0.248 194 V C 2.151 178.263 176.094 0.030 0.000 1.051 194 V CA 2.067 64.451 62.300 0.140 0.000 1.048 194 V CB -0.758 31.256 31.823 0.318 0.000 0.666 194 V HN 0.556 nan 8.190 nan 0.000 0.456 195 D N 0.366 120.797 120.400 0.052 0.000 2.084 195 D HA -0.207 4.433 4.640 -0.000 0.000 0.194 195 D C 1.693 177.965 176.300 -0.046 0.000 0.990 195 D CA 1.789 55.799 54.000 0.018 0.000 0.826 195 D CB -0.018 40.798 40.800 0.027 0.000 0.971 195 D HN 0.459 nan 8.370 nan 0.000 0.453 196 D N 0.294 120.658 120.400 -0.061 0.000 2.149 196 D HA -0.176 4.464 4.640 -0.000 0.000 0.198 196 D C 2.181 178.375 176.300 -0.176 0.000 0.990 196 D CA 0.544 54.489 54.000 -0.092 0.000 0.839 196 D CB -0.368 40.390 40.800 -0.069 0.000 0.948 196 D HN 0.276 nan 8.370 nan 0.000 0.460 197 M N 0.647 120.075 119.600 -0.287 0.000 2.065 197 M HA -0.151 4.329 4.480 -0.000 0.000 0.259 197 M C 2.207 178.195 176.300 -0.519 0.000 1.069 197 M CA 1.354 56.315 55.300 -0.566 0.000 1.110 197 M CB -0.999 30.921 32.600 -1.135 0.000 1.328 197 M HN 0.117 nan 8.290 nan 0.000 0.405 198 E N -0.797 119.186 120.200 -0.362 0.000 2.077 198 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 198 E C 1.716 178.268 176.600 -0.080 0.000 0.989 198 E CA 1.759 58.095 56.400 -0.107 0.000 0.800 198 E CB 0.175 29.899 29.700 0.041 0.000 0.746 198 E HN 0.470 nan 8.360 nan 0.000 0.452 199 T N 0.536 115.036 114.554 -0.089 0.000 2.708 199 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 199 T C 1.883 176.519 174.700 -0.107 0.000 1.037 199 T CA 1.311 63.366 62.100 -0.074 0.000 1.146 199 T CB -0.306 68.521 68.868 -0.069 0.000 0.865 199 T HN 0.308 nan 8.240 nan 0.000 0.435 200 A N 0.784 123.522 122.820 -0.137 0.000 1.972 200 A HA -0.012 4.307 4.320 -0.000 0.000 0.219 200 A C 2.517 180.068 177.584 -0.056 0.000 1.169 200 A CA 1.185 53.138 52.037 -0.140 0.000 0.635 200 A CB -0.745 18.177 19.000 -0.131 0.000 0.810 200 A HN 0.389 nan 8.150 nan 0.000 0.446 201 V N 0.079 119.964 119.914 -0.048 0.000 2.535 201 V HA -0.132 3.988 4.120 -0.000 0.000 0.246 201 V C 1.952 178.106 176.094 0.100 0.000 1.045 201 V CA 1.740 64.073 62.300 0.054 0.000 1.058 201 V CB -0.591 31.179 31.823 -0.087 0.000 0.689 201 V HN 0.463 nan 8.190 nan 0.000 0.461 202 D N 0.447 120.866 120.400 0.031 0.000 2.117 202 D HA -0.108 4.532 4.640 -0.000 0.000 0.198 202 D C 2.214 178.546 176.300 0.053 0.000 0.982 202 D CA 1.144 55.171 54.000 0.045 0.000 0.828 202 D CB -0.079 40.733 40.800 0.021 0.000 0.967 202 D HN 0.314 nan 8.370 nan 0.000 0.464 203 L N 0.863 122.077 121.223 -0.015 0.000 2.012 203 L HA -0.187 4.152 4.340 -0.000 0.000 0.210 203 L C 2.559 179.485 176.870 0.094 0.000 1.073 203 L CA 1.246 56.052 54.840 -0.057 0.000 0.748 203 L CB -0.438 41.355 42.059 -0.444 0.000 0.891 203 L HN -0.014 nan 8.230 nan 0.000 0.431 204 A N -0.452 122.436 122.820 0.113 0.000 2.015 204 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 204 A C 2.189 179.876 177.584 0.172 0.000 1.163 204 A CA 1.232 53.387 52.037 0.197 0.000 0.646 204 A CB -0.434 18.715 19.000 0.247 0.000 0.806 204 A HN 0.404 nan 8.150 nan 0.000 0.448 205 L N -1.297 120.038 121.223 0.186 0.000 2.307 205 L HA 0.101 4.441 4.340 -0.000 0.000 0.211 205 L C 1.886 178.819 176.870 0.105 0.000 1.099 205 L CA 0.452 55.380 54.840 0.147 0.000 0.816 205 L CB -0.112 42.041 42.059 0.155 0.000 0.952 205 L HN 0.323 nan 8.230 nan 0.000 0.455 206 L N -0.879 120.412 121.223 0.113 0.000 2.585 206 L HA 0.081 4.421 4.340 -0.000 0.000 0.226 206 L C 0.200 177.135 176.870 0.108 0.000 1.113 206 L CA -0.096 54.803 54.840 0.098 0.000 0.876 206 L CB 0.059 42.173 42.059 0.093 0.000 1.072 206 L HN 0.101 nan 8.230 nan 0.000 0.468 207 D N 0.774 121.260 120.400 0.143 0.000 2.411 207 D HA 0.141 4.781 4.640 -0.000 0.000 0.225 207 D C -1.663 174.668 176.300 0.052 0.000 1.156 207 D CA -2.149 51.924 54.000 0.122 0.000 0.874 207 D CB 1.435 42.367 40.800 0.219 0.000 1.034 207 D HN -0.139 nan 8.370 nan 0.000 0.502 208 P HA -0.073 nan 4.420 nan 0.000 0.219 208 P C 1.291 178.581 177.300 -0.017 0.000 1.144 208 P CA 0.932 64.035 63.100 0.005 0.000 0.806 208 P CB 0.261 31.963 31.700 0.004 0.000 0.771 209 G N -1.055 107.723 108.800 -0.035 0.000 2.484 209 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.218 209 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.218 209 G C 0.401 175.268 174.900 -0.055 0.000 1.130 209 G CA 0.157 45.221 45.100 -0.061 0.000 0.784 209 G HN 0.191 nan 8.290 nan 0.000 0.543 210 V N 0.291 120.186 119.914 -0.032 0.000 2.465 210 V HA 0.383 4.502 4.120 -0.000 0.000 0.279 210 V C 0.911 176.966 176.094 -0.065 0.000 1.045 210 V CA -0.430 61.844 62.300 -0.044 0.000 0.938 210 V CB 1.571 33.389 31.823 -0.010 0.000 0.986 210 V HN 0.265 nan 8.190 nan 0.000 0.467 211 R N 2.618 123.062 120.500 -0.094 0.000 2.225 211 R HA 0.383 4.723 4.340 -0.000 0.000 0.194 211 R C -0.652 175.558 176.300 -0.150 0.000 0.949 211 R CA 0.287 56.329 56.100 -0.096 0.000 1.088 211 R CB 1.106 31.362 30.300 -0.073 0.000 1.106 211 R HN 0.512 nan 8.270 nan 0.000 0.566 212 V N 0.807 120.603 119.914 -0.197 0.000 2.569 212 V HA 0.467 4.587 4.120 -0.000 0.000 0.301 212 V C -0.181 175.662 176.094 -0.419 0.000 1.044 212 V CA -0.995 61.137 62.300 -0.279 0.000 0.874 212 V CB 1.726 33.447 31.823 -0.170 0.000 1.002 212 V HN 0.309 nan 8.190 nan 0.000 0.424 213 G N 3.347 111.649 108.800 -0.830 0.000 2.425 213 G HA2 0.709 4.669 3.960 -0.000 0.000 0.302 213 G HA3 0.709 4.669 3.960 -0.000 0.000 0.302 213 G C -1.154 173.454 174.900 -0.487 0.000 1.159 213 G CA -0.493 43.917 45.100 -1.149 0.000 0.865 213 G HN 0.779 nan 8.290 nan 0.000 0.515 214 L N 1.821 122.985 121.223 -0.098 0.000 2.470 214 L HA 0.687 5.027 4.340 -0.000 0.000 0.268 214 L C -1.628 175.402 176.870 0.266 0.000 0.964 214 L CA -1.074 53.851 54.840 0.142 0.000 0.839 214 L CB 1.980 44.047 42.059 0.015 0.000 1.276 214 L HN 0.487 nan 8.230 nan 0.000 0.403 215 L N 5.620 127.010 121.223 0.278 0.000 2.307 215 L HA 0.722 5.062 4.340 -0.000 0.000 0.284 215 L C -0.763 176.173 176.870 0.110 0.000 1.023 215 L CA 0.125 55.093 54.840 0.212 0.000 0.810 215 L CB 1.448 43.696 42.059 0.314 0.000 1.231 215 L HN 0.828 nan 8.230 nan 0.000 0.423 216 R N 2.754 123.297 120.500 0.070 0.000 2.663 216 R HA 0.653 4.993 4.340 -0.000 0.000 0.267 216 R C -1.049 175.245 176.300 -0.010 0.000 1.038 216 R CA -0.500 55.653 56.100 0.087 0.000 0.886 216 R CB 1.676 32.007 30.300 0.051 0.000 1.249 216 R HN 0.885 nan 8.270 nan 0.000 0.463 217 G N 0.774 109.570 108.800 -0.006 0.000 2.338 217 G HA2 0.471 4.431 3.960 -0.000 0.000 0.298 217 G HA3 0.471 4.431 3.960 -0.000 0.000 0.298 217 G C -0.040 174.832 174.900 -0.046 0.000 1.140 217 G CA -0.267 44.774 45.100 -0.098 0.000 0.860 217 G HN 0.665 nan 8.290 nan 0.000 0.470 218 G N 0.021 108.796 108.800 -0.041 0.000 2.616 218 G HA2 0.403 4.363 3.960 -0.000 0.000 0.268 218 G HA3 0.403 4.363 3.960 -0.000 0.000 0.268 218 G C 0.252 175.141 174.900 -0.019 0.000 1.213 218 G CA -0.486 44.608 45.100 -0.010 0.000 0.926 218 G HN 0.677 nan 8.290 nan 0.000 0.523 219 V N 0.825 120.741 119.914 0.003 0.000 2.788 219 V HA 0.035 4.154 4.120 -0.000 0.000 0.307 219 V C 0.814 176.915 176.094 0.011 0.000 1.069 219 V CA 0.052 62.357 62.300 0.008 0.000 1.173 219 V CB 1.101 32.938 31.823 0.023 0.000 0.925 219 V HN 0.660 nan 8.190 nan 0.000 0.492 220 M N 3.510 123.125 119.600 0.024 0.000 2.245 220 M HA 0.295 4.775 4.480 -0.000 0.000 0.292 220 M C 0.855 177.206 176.300 0.085 0.000 1.176 220 M CA 0.367 55.698 55.300 0.051 0.000 1.035 220 M CB 1.454 34.102 32.600 0.078 0.000 1.440 220 M HN 0.763 nan 8.290 nan 0.000 0.494 221 S N -1.174 114.593 115.700 0.111 0.000 2.787 221 S HA 0.173 4.643 4.470 -0.000 0.000 0.255 221 S C 0.232 174.913 174.600 0.135 0.000 1.051 221 S CA -0.385 57.874 58.200 0.098 0.000 1.124 221 S CB -0.364 62.871 63.200 0.058 0.000 1.104 221 S HN 0.736 nan 8.310 nan 0.000 0.623 222 H N 4.457 123.587 119.070 0.099 0.000 2.683 222 H HA 0.283 4.839 4.556 -0.000 0.000 0.339 222 H C -1.649 173.740 175.328 0.102 0.000 1.081 222 H CA -1.142 54.974 56.048 0.114 0.000 1.432 222 H CB 1.543 31.413 29.762 0.180 0.000 1.462 222 H HN 0.041 nan 8.280 nan 0.000 0.557 223 P HA -0.247 nan 4.420 nan 0.000 0.217 223 P C 1.183 178.610 177.300 0.212 0.000 1.158 223 P CA 1.667 64.852 63.100 0.142 0.000 0.887 223 P CB 0.267 31.980 31.700 0.021 0.000 0.792 224 R N -1.515 119.213 120.500 0.380 0.000 2.127 224 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 224 R C 2.095 178.200 176.300 -0.325 0.000 1.134 224 R CA 1.486 57.545 56.100 -0.067 0.000 0.975 224 R CB -0.620 29.512 30.300 -0.280 0.000 0.865 224 R HN 0.368 nan 8.270 nan 0.000 0.447 225 Y N -0.262 120.110 120.300 0.120 0.000 2.445 225 Y HA 0.224 4.774 4.550 -0.000 0.000 0.247 225 Y C 0.164 176.105 175.900 0.067 0.000 1.129 225 Y CA -0.651 57.493 58.100 0.073 0.000 1.251 225 Y CB 0.479 38.961 38.460 0.036 0.000 1.176 225 Y HN -0.281 nan 8.280 nan 0.000 0.522 226 R N 1.486 122.097 120.500 0.186 0.000 2.912 226 R HA -0.101 4.239 4.340 -0.000 0.000 0.308 226 R C 1.160 177.513 176.300 0.090 0.000 0.787 226 R CA 1.490 57.664 56.100 0.123 0.000 1.117 226 R CB -0.773 29.579 30.300 0.087 0.000 0.893 226 R HN 0.746 nan 8.270 nan 0.000 0.401 227 G N 2.588 111.436 108.800 0.079 0.000 2.284 227 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.216 227 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.216 227 G C -0.135 174.799 174.900 0.057 0.000 1.009 227 G CA -0.098 45.037 45.100 0.058 0.000 0.625 227 G HN 0.485 nan 8.290 nan 0.000 0.501 228 K N 1.142 121.589 120.400 0.079 0.000 2.156 228 K HA 0.640 4.960 4.320 -0.000 0.000 0.271 228 K C 0.501 177.114 176.600 0.022 0.000 0.995 228 K CA -0.763 55.561 56.287 0.062 0.000 0.890 228 K CB 1.571 34.133 32.500 0.104 0.000 1.073 228 K HN 0.212 nan 8.250 nan 0.000 0.454 229 R N 0.875 121.369 120.500 -0.009 0.000 2.679 229 R HA 0.297 4.636 4.340 -0.000 0.000 0.269 229 R C -0.614 175.612 176.300 -0.123 0.000 1.076 229 R CA -0.219 55.855 56.100 -0.044 0.000 1.160 229 R CB 0.679 30.964 30.300 -0.025 0.000 1.054 229 R HN 0.256 nan 8.270 nan 0.000 0.507 230 V N 3.765 123.571 119.914 -0.180 0.000 2.624 230 V HA 0.033 4.152 4.120 -0.000 0.000 0.294 230 V C 0.068 176.011 176.094 -0.253 0.000 1.077 230 V CA -0.572 61.513 62.300 -0.357 0.000 0.905 230 V CB 1.279 32.767 31.823 -0.559 0.000 1.025 230 V HN 0.772 nan 8.190 nan 0.000 0.440 231 F N 3.526 123.273 119.950 -0.338 0.000 2.011 231 F HA -0.037 4.490 4.527 -0.000 0.000 0.296 231 F C 1.259 176.961 175.800 -0.164 0.000 1.144 231 F CA 2.508 60.384 58.000 -0.206 0.000 1.185 231 F CB 0.361 39.262 39.000 -0.165 0.000 0.961 231 F HN 0.529 nan 8.300 nan 0.000 0.485 232 S N -1.909 113.761 115.700 -0.050 0.000 2.548 232 S HA 0.644 5.114 4.470 -0.000 0.000 0.278 232 S C -1.084 173.613 174.600 0.162 0.000 1.150 232 S CA -0.297 57.883 58.200 -0.032 0.000 0.907 232 S CB 1.231 64.425 63.200 -0.010 0.000 1.108 232 S HN 0.559 nan 8.310 nan 0.000 0.459 233 A N 2.914 125.821 122.820 0.146 0.000 3.214 233 A HA 0.741 5.061 4.320 -0.000 0.000 0.304 233 A C 0.794 178.458 177.584 0.132 0.000 0.969 233 A CA 0.150 52.335 52.037 0.247 0.000 0.986 233 A CB -0.637 18.528 19.000 0.275 0.000 1.073 233 A HN 2.149 nan 8.150 nan 0.000 0.487 234 G N 0.155 109.033 108.800 0.131 0.000 2.880 234 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.617 234 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.617 234 G C 0.088 175.055 174.900 0.111 0.000 1.493 234 G CA -0.175 44.990 45.100 0.109 0.000 0.916 234 G HN 1.386 nan 8.290 nan 0.000 0.553 235 I N 0.570 121.222 120.570 0.137 0.000 2.813 235 I HA 0.058 4.228 4.170 -0.000 0.000 0.287 235 I C 1.069 177.234 176.117 0.079 0.000 1.196 235 I CA -0.549 60.862 61.300 0.185 0.000 1.421 235 I CB 0.387 38.541 38.000 0.256 0.000 1.365 235 I HN 0.684 nan 8.210 nan 0.000 0.591 236 N N 7.115 125.837 118.700 0.038 0.000 2.411 236 N HA -0.042 4.697 4.740 -0.000 0.000 0.282 236 N C 0.798 176.220 175.510 -0.147 0.000 1.322 236 N CA 0.293 53.273 53.050 -0.116 0.000 0.943 236 N CB 0.441 38.824 38.487 -0.172 0.000 1.266 236 N HN 0.605 nan 8.380 nan 0.000 0.486 237 L N 4.673 125.819 121.223 -0.129 0.000 1.944 237 L HA -0.257 4.082 4.340 -0.000 0.000 0.218 237 L C 2.136 178.905 176.870 -0.168 0.000 1.075 237 L CA 1.672 56.449 54.840 -0.104 0.000 0.767 237 L CB -0.494 41.520 42.059 -0.074 0.000 0.890 237 L HN 0.486 nan 8.230 nan 0.000 0.434 238 K N -0.772 119.462 120.400 -0.277 0.000 2.242 238 K HA -0.243 4.077 4.320 -0.000 0.000 0.206 238 K C 1.853 178.370 176.600 -0.137 0.000 1.045 238 K CA 1.729 57.874 56.287 -0.237 0.000 0.930 238 K CB -0.461 31.855 32.500 -0.308 0.000 0.726 238 K HN 0.266 nan 8.250 nan 0.000 0.462 239 Y N 0.339 120.601 120.300 -0.063 0.000 2.395 239 Y HA 0.020 4.570 4.550 -0.000 0.000 0.293 239 Y C 1.987 177.835 175.900 -0.086 0.000 1.123 239 Y CA -0.091 57.959 58.100 -0.084 0.000 1.227 239 Y CB -0.486 37.896 38.460 -0.130 0.000 1.012 239 Y HN -0.006 nan 8.280 nan 0.000 0.552 240 L N -0.940 120.309 121.223 0.044 0.000 2.093 240 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 240 L C 2.179 179.029 176.870 -0.032 0.000 1.085 240 L CA 1.256 56.090 54.840 -0.009 0.000 0.755 240 L CB -0.248 41.801 42.059 -0.016 0.000 0.904 240 L HN 0.150 nan 8.230 nan 0.000 0.435 241 S N -0.707 114.979 115.700 -0.022 0.000 2.368 241 S HA -0.200 4.270 4.470 -0.000 0.000 0.224 241 S C 1.712 176.303 174.600 -0.014 0.000 1.029 241 S CA 1.226 59.410 58.200 -0.026 0.000 0.988 241 S CB -0.119 63.067 63.200 -0.023 0.000 0.838 241 S HN 0.523 nan 8.310 nan 0.000 0.462 242 Q N -0.483 119.331 119.800 0.023 0.000 2.378 242 Q HA 0.306 4.646 4.340 -0.000 0.000 0.216 242 Q C 0.898 176.918 176.000 0.033 0.000 0.892 242 Q CA 0.381 56.210 55.803 0.042 0.000 0.931 242 Q CB 0.791 29.587 28.738 0.096 0.000 1.086 242 Q HN 0.611 nan 8.270 nan 0.000 0.528 243 G N 0.122 108.937 108.800 0.025 0.000 2.151 243 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.156 243 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.156 243 G C 0.464 175.347 174.900 -0.028 0.000 1.017 243 G CA -0.152 44.942 45.100 -0.009 0.000 0.686 243 G HN 0.435 nan 8.290 nan 0.000 0.503 244 G N -0.356 108.429 108.800 -0.025 0.000 2.683 244 G HA2 0.322 4.282 3.960 -0.000 0.000 0.213 244 G HA3 0.322 4.282 3.960 -0.000 0.000 0.213 244 G C 0.795 175.592 174.900 -0.172 0.000 1.142 244 G CA 0.245 45.234 45.100 -0.186 0.000 0.793 244 G HN 0.467 nan 8.290 nan 0.000 0.534 245 I N 2.355 122.876 120.570 -0.081 0.000 2.389 245 I HA 0.130 4.300 4.170 -0.000 0.000 0.295 245 I C 0.432 176.561 176.117 0.020 0.000 1.117 245 I CA -0.268 60.989 61.300 -0.071 0.000 1.317 245 I CB 0.285 38.289 38.000 0.006 0.000 1.431 245 I HN -0.062 nan 8.210 nan 0.000 0.521 246 S N 5.680 121.418 115.700 0.064 0.000 2.474 246 S HA 0.148 4.618 4.470 -0.000 0.000 0.276 246 S C 1.098 175.804 174.600 0.178 0.000 1.227 246 S CA -0.672 57.597 58.200 0.114 0.000 1.050 246 S CB 0.582 63.847 63.200 0.108 0.000 0.939 246 S HN 0.555 nan 8.310 nan 0.000 0.490 247 L N 6.858 128.167 121.223 0.142 0.000 2.129 247 L HA -0.048 4.291 4.340 -0.000 0.000 0.212 247 L C 1.601 178.561 176.870 0.150 0.000 1.087 247 L CA 2.042 56.962 54.840 0.133 0.000 0.757 247 L CB -0.291 41.834 42.059 0.110 0.000 0.896 247 L HN 0.640 nan 8.230 nan 0.000 0.434 248 V N -1.426 118.578 119.914 0.149 0.000 2.581 248 V HA -0.010 4.109 4.120 -0.000 0.000 0.240 248 V C 1.584 177.772 176.094 0.157 0.000 1.054 248 V CA 1.127 63.515 62.300 0.147 0.000 1.076 248 V CB -0.505 31.399 31.823 0.136 0.000 0.748 248 V HN 0.285 nan 8.190 nan 0.000 0.474 249 D N -1.011 119.486 120.400 0.162 0.000 2.378 249 D HA 0.018 4.658 4.640 -0.000 0.000 0.227 249 D C 0.975 177.436 176.300 0.268 0.000 1.012 249 D CA 0.911 55.013 54.000 0.171 0.000 0.905 249 D CB 0.571 41.448 40.800 0.127 0.000 0.895 249 D HN 0.508 nan 8.370 nan 0.000 0.532 250 F N -0.867 119.132 119.950 0.083 0.000 1.793 250 F HA 0.136 4.662 4.527 -0.000 0.000 0.236 250 F C 1.498 177.366 175.800 0.114 0.000 1.208 250 F CA -0.163 57.893 58.000 0.094 0.000 1.311 250 F CB -0.310 38.738 39.000 0.079 0.000 1.820 250 F HN -0.287 nan 8.300 nan 0.000 0.373 251 L N 0.742 122.092 121.223 0.212 0.000 1.989 251 L HA -0.245 4.095 4.340 -0.000 0.000 0.211 251 L C 2.289 179.244 176.870 0.141 0.000 1.071 251 L CA 1.514 56.433 54.840 0.131 0.000 0.749 251 L CB -0.565 41.642 42.059 0.245 0.000 0.890 251 L HN 0.329 nan 8.230 nan 0.000 0.431 252 M N -1.152 118.551 119.600 0.171 0.000 2.216 252 M HA -0.110 4.370 4.480 -0.000 0.000 0.264 252 M C 2.320 178.658 176.300 0.064 0.000 1.080 252 M CA 1.268 56.661 55.300 0.155 0.000 1.153 252 M CB -1.100 31.595 32.600 0.159 0.000 1.356 252 M HN 0.188 nan 8.290 nan 0.000 0.432 253 R N 1.319 121.862 120.500 0.072 0.000 2.113 253 R HA -0.228 4.112 4.340 -0.000 0.000 0.244 253 R C 2.172 178.476 176.300 0.006 0.000 1.142 253 R CA 2.248 58.386 56.100 0.062 0.000 0.953 253 R CB -0.313 30.046 30.300 0.099 0.000 0.860 253 R HN 0.378 nan 8.270 nan 0.000 0.438 254 K N -0.489 119.867 120.400 -0.073 0.000 2.288 254 K HA -0.113 4.207 4.320 -0.000 0.000 0.201 254 K C 1.367 177.769 176.600 -0.331 0.000 1.048 254 K CA 1.232 57.411 56.287 -0.179 0.000 0.956 254 K CB 0.175 32.500 32.500 -0.292 0.000 0.746 254 K HN 0.117 nan 8.250 nan 0.000 0.461 255 E N 1.228 121.304 120.200 -0.206 0.000 2.042 255 E HA -0.003 4.346 4.350 -0.000 0.000 0.189 255 E C 2.041 178.605 176.600 -0.060 0.000 0.974 255 E CA 0.809 57.100 56.400 -0.182 0.000 0.806 255 E CB -0.186 29.399 29.700 -0.191 0.000 0.769 255 E HN 0.308 nan 8.360 nan 0.000 0.451 256 L N 0.123 121.345 121.223 -0.003 0.000 2.376 256 L HA 0.022 4.361 4.340 -0.000 0.000 0.219 256 L C 1.738 178.657 176.870 0.083 0.000 1.133 256 L CA 0.665 55.547 54.840 0.070 0.000 0.816 256 L CB -0.360 41.737 42.059 0.063 0.000 0.933 256 L HN 0.073 nan 8.230 nan 0.000 0.449 257 G N -0.527 108.285 108.800 0.020 0.000 3.380 257 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.188 257 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.188 257 G C 0.945 175.845 174.900 0.000 0.000 1.892 257 G CA 0.425 45.547 45.100 0.037 0.000 0.912 257 G HN 0.274 nan 8.290 nan 0.000 0.609 258 Y N 0.406 120.661 120.300 -0.076 0.000 2.193 258 Y HA -0.076 4.474 4.550 -0.000 0.000 0.285 258 Y C 2.357 178.133 175.900 -0.207 0.000 1.166 258 Y CA 1.697 59.712 58.100 -0.142 0.000 1.181 258 Y CB -0.478 37.892 38.460 -0.151 0.000 0.976 258 Y HN 0.130 nan 8.280 nan 0.000 0.520 259 I N 0.275 120.332 120.570 -0.855 0.000 2.614 259 I HA -0.270 3.899 4.170 -0.000 0.000 0.258 259 I C 2.462 178.355 176.117 -0.375 0.000 1.189 259 I CA 1.720 62.587 61.300 -0.721 0.000 1.462 259 I CB -0.596 36.964 38.000 -0.734 0.000 1.092 259 I HN 0.508 nan 8.210 nan 0.000 0.442 260 H N 0.936 119.777 119.070 -0.381 0.000 2.563 260 H HA 0.065 4.621 4.556 -0.000 0.000 0.264 260 H C 1.757 176.912 175.328 -0.288 0.000 0.957 260 H CA 0.252 56.081 56.048 -0.365 0.000 1.173 260 H CB 0.517 30.100 29.762 -0.299 0.000 1.420 260 H HN 0.243 nan 8.280 nan 0.000 0.551 261 K N 0.290 120.546 120.400 -0.240 0.000 2.305 261 K HA 0.041 4.361 4.320 -0.000 0.000 0.199 261 K C 1.810 178.263 176.600 -0.245 0.000 1.047 261 K CA 0.186 56.341 56.287 -0.220 0.000 0.976 261 K CB 0.428 32.865 32.500 -0.106 0.000 0.765 261 K HN 0.245 nan 8.250 nan 0.000 0.474 262 L N 0.588 121.594 121.223 -0.362 0.000 2.465 262 L HA -0.093 4.247 4.340 -0.000 0.000 0.224 262 L C 1.774 178.461 176.870 -0.305 0.000 1.145 262 L CA 0.453 54.998 54.840 -0.493 0.000 0.834 262 L CB -0.051 41.536 42.059 -0.786 0.000 0.944 262 L HN -0.022 nan 8.230 nan 0.000 0.451 263 V N -0.994 118.739 119.914 -0.302 0.000 2.627 263 V HA -0.012 4.108 4.120 -0.000 0.000 0.239 263 V C 2.040 177.987 176.094 -0.246 0.000 1.077 263 V CA 0.952 63.097 62.300 -0.259 0.000 1.103 263 V CB -0.109 31.534 31.823 -0.300 0.000 0.802 263 V HN 0.302 nan 8.190 nan 0.000 0.482 264 R N -0.237 120.050 120.500 -0.356 0.000 2.335 264 R HA 0.461 4.800 4.340 -0.000 0.000 0.210 264 R C 0.988 177.163 176.300 -0.209 0.000 0.892 264 R CA 0.644 56.561 56.100 -0.305 0.000 1.048 264 R CB 0.905 30.940 30.300 -0.441 0.000 1.067 264 R HN 0.567 nan 8.270 nan 0.000 0.524 265 G N 0.873 109.569 108.800 -0.173 0.000 2.615 265 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 265 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 265 G C -0.499 174.348 174.900 -0.088 0.000 1.339 265 G CA -0.410 44.644 45.100 -0.078 0.000 0.884 265 G HN 0.271 nan 8.290 nan 0.000 0.559 266 V N -2.284 117.610 119.914 -0.034 0.000 2.483 266 V HA 0.807 4.927 4.120 -0.000 0.000 0.295 266 V C 0.396 176.481 176.094 -0.016 0.000 1.035 266 V CA -0.833 61.453 62.300 -0.023 0.000 0.896 266 V CB 1.548 33.380 31.823 0.016 0.000 0.986 266 V HN 1.695 nan 8.190 nan 0.000 0.447 267 L N 6.030 127.241 121.223 -0.021 0.000 2.313 267 L HA 0.625 4.965 4.340 -0.000 0.000 0.282 267 L C 0.744 177.667 176.870 0.088 0.000 1.092 267 L CA 1.069 55.917 54.840 0.013 0.000 0.831 267 L CB 0.802 42.845 42.059 -0.027 0.000 1.159 267 L HN 1.168 nan 8.230 nan 0.000 0.442 268 T N 1.811 116.476 114.554 0.185 0.000 2.893 268 T HA 0.516 4.866 4.350 -0.000 0.000 0.281 268 T C 0.339 175.208 174.700 0.283 0.000 1.027 268 T CA -0.869 61.353 62.100 0.205 0.000 0.953 268 T CB 0.630 69.619 68.868 0.202 0.000 1.434 268 T HN 0.555 nan 8.240 nan 0.000 0.597 269 N N 0.399 119.164 118.700 0.108 0.000 2.491 269 N HA 0.230 4.970 4.740 -0.000 0.000 0.279 269 N C -0.120 175.064 175.510 -0.543 0.000 1.236 269 N CA -0.575 52.416 53.050 -0.098 0.000 0.982 269 N CB 0.905 39.336 38.487 -0.094 0.000 1.194 269 N HN 0.691 nan 8.380 nan 0.000 0.582 270 D N 0.555 120.385 120.400 -0.951 0.000 2.395 270 D HA -0.047 4.593 4.640 -0.000 0.000 0.250 270 D C 0.350 176.316 176.300 -0.556 0.000 1.203 270 D CA 0.027 53.177 54.000 -1.417 0.000 0.872 270 D CB -0.153 39.926 40.800 -1.202 0.000 0.941 270 D HN 0.402 nan 8.370 nan 0.000 0.504 271 D N 0.442 120.651 120.400 -0.317 0.000 1.872 271 D HA -0.189 4.450 4.640 -0.000 0.000 0.274 271 D C 1.052 177.328 176.300 -0.040 0.000 1.117 271 D CA 0.466 54.392 54.000 -0.122 0.000 0.998 271 D CB -0.764 40.003 40.800 -0.056 0.000 1.521 271 D HN 0.314 nan 8.370 nan 0.000 0.549 272 R N 1.467 121.982 120.500 0.024 0.000 2.905 272 R HA 0.238 4.577 4.340 -0.000 0.000 0.273 272 R C -2.087 174.271 176.300 0.098 0.000 1.033 272 R CA -0.890 55.245 56.100 0.057 0.000 1.182 272 R CB -1.228 29.109 30.300 0.062 0.000 1.097 272 R HN 0.198 nan 8.270 nan 0.000 0.504 273 P HA 0.128 nan 4.420 nan 0.000 0.279 273 P C 0.157 177.520 177.300 0.104 0.000 1.239 273 P CA 0.286 63.473 63.100 0.145 0.000 0.789 273 P CB 1.329 33.109 31.700 0.133 0.000 0.933 274 G N 2.022 110.910 108.800 0.147 0.000 2.175 274 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 274 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 274 G C 0.606 174.990 174.900 -0.859 0.000 0.982 274 G CA 0.159 44.977 45.100 -0.471 0.000 0.641 274 G HN 0.567 nan 8.290 nan 0.000 0.527 275 W N 1.869 122.964 121.300 -0.343 0.000 2.424 275 W HA 0.003 4.662 4.660 -0.000 0.000 0.264 275 W C 2.274 178.674 176.519 -0.198 0.000 1.229 275 W CA 2.080 59.282 57.345 -0.238 0.000 1.208 275 W CB -0.141 29.289 29.460 -0.051 0.000 1.127 275 W HN 0.563 nan 8.180 nan 0.000 0.588 276 W N 0.325 121.653 121.300 0.047 0.000 2.519 276 W HA -0.076 4.584 4.660 -0.000 0.000 0.266 276 W C 1.146 177.601 176.519 -0.106 0.000 1.253 276 W CA 1.424 58.786 57.345 0.027 0.000 1.274 276 W CB -1.677 27.853 29.460 0.118 0.000 1.114 276 W HN 0.378 nan 8.180 nan 0.000 0.596 277 H N -1.355 117.235 119.070 -0.800 0.000 2.986 277 H HA 0.399 4.954 4.556 -0.000 0.000 0.267 277 H C -0.115 174.905 175.328 -0.514 0.000 1.072 277 H CA 0.093 55.704 56.048 -0.728 0.000 1.202 277 H CB -0.235 28.802 29.762 -1.207 0.000 1.535 277 H HN -0.119 nan 8.280 nan 0.000 0.522 278 S N 2.207 117.546 115.700 -0.603 0.000 2.539 278 S HA 0.168 4.638 4.470 -0.000 0.000 0.185 278 S C -2.091 172.217 174.600 -0.488 0.000 1.181 278 S CA -0.652 57.326 58.200 -0.370 0.000 1.216 278 S CB 1.208 64.294 63.200 -0.191 0.000 1.476 278 S HN 0.282 nan 8.310 nan 0.000 0.395 279 P HA -0.111 nan 4.420 nan 0.000 0.224 279 P C 0.038 177.123 177.300 -0.359 0.000 1.142 279 P CA 0.776 63.250 63.100 -1.043 0.000 0.778 279 P CB 0.255 31.201 31.700 -1.257 0.000 0.764 280 R N -0.193 120.157 120.500 -0.251 0.000 2.599 280 R HA 0.581 4.921 4.340 -0.000 0.000 0.295 280 R C -0.131 176.117 176.300 -0.086 0.000 0.963 280 R CA -0.964 55.061 56.100 -0.126 0.000 0.883 280 R CB 1.902 32.118 30.300 -0.141 0.000 1.171 280 R HN -0.010 nan 8.270 nan 0.000 0.450 281 I N 3.406 123.956 120.570 -0.033 0.000 2.304 281 I HA 0.163 4.332 4.170 -0.000 0.000 0.291 281 I C 0.322 176.440 176.117 0.001 0.000 1.018 281 I CA -0.138 61.157 61.300 -0.009 0.000 1.260 281 I CB 1.090 39.103 38.000 0.023 0.000 1.390 281 I HN 0.628 nan 8.210 nan 0.000 0.475 282 E N 7.026 127.225 120.200 -0.002 0.000 2.320 282 E HA 0.748 5.098 4.350 -0.000 0.000 0.264 282 E C -1.454 175.172 176.600 0.042 0.000 0.923 282 E CA -1.128 55.288 56.400 0.028 0.000 0.796 282 E CB 2.691 32.384 29.700 -0.012 0.000 1.262 282 E HN 0.401 nan 8.360 nan 0.000 0.428 283 K N 0.539 120.997 120.400 0.097 0.000 2.556 283 K HA 0.417 4.737 4.320 -0.000 0.000 0.274 283 K C -2.784 173.838 176.600 0.036 0.000 0.966 283 K CA -2.122 54.171 56.287 0.011 0.000 0.865 283 K CB 2.430 34.880 32.500 -0.084 0.000 1.444 283 K HN 0.454 nan 8.250 nan 0.000 0.433 284 P HA 0.192 nan 4.420 nan 0.000 0.277 284 P C -1.301 175.925 177.300 -0.123 0.000 1.240 284 P CA -0.275 62.839 63.100 0.024 0.000 0.798 284 P CB 0.552 32.252 31.700 -0.000 0.000 0.979 285 W N 0.613 121.989 121.300 0.128 0.000 2.864 285 W HA 0.511 5.170 4.660 -0.000 0.000 0.343 285 W C -0.997 175.705 176.519 0.304 0.000 1.109 285 W CA -0.464 57.040 57.345 0.265 0.000 1.192 285 W CB 1.887 31.584 29.460 0.395 0.000 1.426 285 W HN -0.029 nan 8.180 nan 0.000 0.529 286 V N 2.979 123.124 119.914 0.384 0.000 2.462 286 V HA 0.634 4.754 4.120 -0.000 0.000 0.288 286 V C -0.129 175.860 176.094 -0.174 0.000 1.020 286 V CA -1.011 61.340 62.300 0.084 0.000 0.857 286 V CB 0.762 32.598 31.823 0.022 0.000 1.013 286 V HN 0.654 nan 8.190 nan 0.000 0.431 287 A N 3.996 126.420 122.820 -0.659 0.000 2.316 287 A HA 0.943 5.262 4.320 -0.000 0.000 0.284 287 A C 0.204 177.550 177.584 -0.397 0.000 1.115 287 A CA 0.022 51.579 52.037 -0.801 0.000 0.812 287 A CB 1.165 19.254 19.000 -1.519 0.000 1.064 287 A HN 1.426 nan 8.150 nan 0.000 0.489 288 A N 1.521 124.200 122.820 -0.235 0.000 2.359 288 A HA 0.607 4.927 4.320 -0.000 0.000 0.303 288 A C -0.902 176.561 177.584 -0.201 0.000 1.066 288 A CA -0.407 51.523 52.037 -0.178 0.000 0.730 288 A CB 1.184 20.142 19.000 -0.070 0.000 1.211 288 A HN 1.012 nan 8.150 nan 0.000 0.439 289 V N 3.620 123.359 119.914 -0.290 0.000 2.370 289 V HA 0.335 4.455 4.120 -0.000 0.000 0.279 289 V C -0.670 175.375 176.094 -0.081 0.000 1.029 289 V CA -0.505 61.621 62.300 -0.291 0.000 0.870 289 V CB 1.251 32.858 31.823 -0.360 0.000 0.984 289 V HN 0.862 nan 8.190 nan 0.000 0.451 290 D N 3.710 124.084 120.400 -0.042 0.000 2.256 290 D HA 0.558 5.197 4.640 -0.000 0.000 0.246 290 D C 0.905 177.102 176.300 -0.171 0.000 1.042 290 D CA 0.564 54.525 54.000 -0.065 0.000 0.841 290 D CB 2.267 43.036 40.800 -0.051 0.000 1.223 290 D HN 0.698 nan 8.370 nan 0.000 0.470 291 G N 2.236 110.945 108.800 -0.152 0.000 3.729 291 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.327 291 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.327 291 G C 0.032 174.768 174.900 -0.273 0.000 1.293 291 G CA 1.112 46.057 45.100 -0.257 0.000 1.011 291 G HN 0.636 nan 8.290 nan 0.000 0.673 292 F N -2.088 117.697 119.950 -0.275 0.000 2.754 292 F HA 0.848 5.375 4.527 -0.000 0.000 0.320 292 F C -0.153 175.584 175.800 -0.105 0.000 1.156 292 F CA -0.818 56.915 58.000 -0.445 0.000 0.950 292 F CB 1.452 39.807 39.000 -1.076 0.000 1.388 292 F HN 1.258 nan 8.300 nan 0.000 0.485 293 A N 1.769 124.757 122.820 0.279 0.000 2.745 293 A HA 0.742 5.062 4.320 -0.000 0.000 0.301 293 A C -1.305 176.464 177.584 0.307 0.000 1.188 293 A CA -0.334 51.904 52.037 0.334 0.000 0.746 293 A CB -0.145 18.948 19.000 0.155 0.000 1.207 293 A HN 0.681 nan 8.150 nan 0.000 0.432 294 I N 1.524 122.275 120.570 0.302 0.000 2.607 294 I HA 0.685 4.854 4.170 -0.000 0.000 0.305 294 I C 1.368 177.584 176.117 0.165 0.000 0.995 294 I CA -0.003 61.423 61.300 0.211 0.000 1.148 294 I CB 1.739 39.837 38.000 0.164 0.000 1.323 294 I HN 0.897 nan 8.210 nan 0.000 0.461 295 G N 3.211 112.084 108.800 0.121 0.000 2.651 295 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.315 295 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.315 295 G C 1.006 175.966 174.900 0.100 0.000 1.258 295 G CA 0.521 45.683 45.100 0.102 0.000 1.002 295 G HN 1.041 nan 8.290 nan 0.000 0.551 296 G N 0.386 109.248 108.800 0.103 0.000 2.475 296 G HA2 0.131 4.091 3.960 -0.000 0.000 0.220 296 G HA3 0.131 4.091 3.960 -0.000 0.000 0.220 296 G C 1.943 176.903 174.900 0.100 0.000 1.125 296 G CA 2.174 47.321 45.100 0.079 0.000 0.755 296 G HN 1.788 nan 8.290 nan 0.000 0.565 297 G N 1.255 110.144 108.800 0.149 0.000 2.514 297 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.217 297 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.217 297 G C 2.031 177.115 174.900 0.307 0.000 1.198 297 G CA 1.631 46.886 45.100 0.258 0.000 0.780 297 G HN 0.720 nan 8.290 nan 0.000 0.565 298 A N -0.166 122.758 122.820 0.172 0.000 2.121 298 A HA 0.019 4.339 4.320 -0.000 0.000 0.218 298 A C 2.275 179.841 177.584 -0.030 0.000 1.154 298 A CA 1.712 53.764 52.037 0.025 0.000 0.679 298 A CB -0.295 18.716 19.000 0.019 0.000 0.795 298 A HN 0.518 nan 8.150 nan 0.000 0.458 299 Q N -0.769 119.036 119.800 0.009 0.000 2.167 299 Q HA -0.081 4.258 4.340 -0.000 0.000 0.202 299 Q C 1.662 177.624 176.000 -0.063 0.000 0.970 299 Q CA 0.832 56.603 55.803 -0.053 0.000 0.855 299 Q CB -0.168 28.541 28.738 -0.047 0.000 0.911 299 Q HN 0.491 nan 8.270 nan 0.000 0.438 300 L N 0.401 121.651 121.223 0.043 0.000 2.093 300 L HA -0.142 4.197 4.340 -0.000 0.000 0.208 300 L C 2.121 179.104 176.870 0.189 0.000 1.085 300 L CA 1.511 56.415 54.840 0.107 0.000 0.755 300 L CB -1.124 41.162 42.059 0.378 0.000 0.904 300 L HN 0.333 nan 8.230 nan 0.000 0.435 301 L N -0.882 120.429 121.223 0.146 0.000 2.265 301 L HA -0.199 4.140 4.340 -0.000 0.000 0.215 301 L C 2.191 179.007 176.870 -0.089 0.000 1.117 301 L CA 0.677 55.559 54.840 0.069 0.000 0.782 301 L CB -0.534 41.361 42.059 -0.274 0.000 0.914 301 L HN 0.242 nan 8.230 nan 0.000 0.441 302 L N 0.180 121.259 121.223 -0.239 0.000 2.622 302 L HA -0.050 4.290 4.340 -0.000 0.000 0.233 302 L C 1.593 178.434 176.870 -0.050 0.000 1.156 302 L CA 0.363 54.965 54.840 -0.396 0.000 0.866 302 L CB -0.287 41.538 42.059 -0.390 0.000 0.980 302 L HN 0.317 nan 8.230 nan 0.000 0.448 303 V N -7.173 112.691 119.914 -0.084 0.000 3.382 303 V HA 0.272 4.392 4.120 -0.000 0.000 0.296 303 V C 0.499 176.474 176.094 -0.199 0.000 1.529 303 V CA -0.507 61.707 62.300 -0.143 0.000 1.048 303 V CB -0.474 31.165 31.823 -0.306 0.000 0.878 303 V HN -0.088 nan 8.190 nan 0.000 0.442 304 F N 1.800 121.760 119.950 0.018 0.000 2.380 304 F HA 0.451 4.978 4.527 -0.000 0.000 0.325 304 F C 1.637 177.493 175.800 0.094 0.000 1.136 304 F CA -0.001 58.040 58.000 0.070 0.000 1.171 304 F CB 0.673 39.707 39.000 0.057 0.000 1.230 304 F HN -0.010 nan 8.300 nan 0.000 0.554 305 D N 0.151 120.767 120.400 0.361 0.000 2.289 305 D HA -0.030 4.610 4.640 -0.000 0.000 0.207 305 D C 0.459 176.858 176.300 0.165 0.000 0.966 305 D CA 0.986 55.113 54.000 0.211 0.000 0.868 305 D CB 0.367 41.275 40.800 0.180 0.000 0.943 305 D HN 0.205 nan 8.370 nan 0.000 0.514 306 R N 0.264 120.873 120.500 0.181 0.000 2.572 306 R HA 0.224 4.563 4.340 -0.000 0.000 0.273 306 R C -2.053 174.258 176.300 0.019 0.000 1.168 306 R CA -0.271 55.879 56.100 0.084 0.000 1.021 306 R CB 1.244 31.576 30.300 0.052 0.000 1.249 306 R HN -0.308 nan 8.270 nan 0.000 0.423 307 V N 5.914 125.816 119.914 -0.020 0.000 2.370 307 V HA 0.490 4.610 4.120 -0.000 0.000 0.283 307 V C -0.370 175.656 176.094 -0.114 0.000 1.023 307 V CA -0.780 61.444 62.300 -0.127 0.000 0.857 307 V CB 1.459 33.182 31.823 -0.167 0.000 0.985 307 V HN 0.532 nan 8.190 nan 0.000 0.443 308 L N 4.344 125.482 121.223 -0.141 0.000 2.317 308 L HA 0.867 5.207 4.340 -0.000 0.000 0.281 308 L C 0.213 177.023 176.870 -0.100 0.000 1.024 308 L CA -0.103 54.685 54.840 -0.087 0.000 0.810 308 L CB 1.506 43.522 42.059 -0.072 0.000 1.240 308 L HN 0.781 nan 8.230 nan 0.000 0.427 309 A N 2.075 124.881 122.820 -0.023 0.000 2.449 309 A HA 0.620 4.940 4.320 -0.000 0.000 0.302 309 A C -0.238 177.379 177.584 0.056 0.000 1.048 309 A CA -0.411 51.649 52.037 0.038 0.000 0.708 309 A CB 1.873 20.988 19.000 0.191 0.000 1.274 309 A HN 0.632 nan 8.150 nan 0.000 0.410 310 S N 0.357 116.087 115.700 0.051 0.000 2.608 310 S HA 0.280 4.750 4.470 -0.000 0.000 0.261 310 S C 1.366 176.004 174.600 0.064 0.000 1.314 310 S CA 0.323 58.549 58.200 0.043 0.000 0.992 310 S CB 0.727 63.944 63.200 0.029 0.000 0.935 310 S HN 0.761 nan 8.310 nan 0.000 0.564 311 S N 0.977 116.712 115.700 0.059 0.000 2.406 311 S HA -0.056 4.413 4.470 -0.000 0.000 0.228 311 S C 1.250 175.907 174.600 0.095 0.000 1.020 311 S CA 1.054 59.295 58.200 0.069 0.000 0.965 311 S CB -0.285 62.948 63.200 0.055 0.000 0.798 311 S HN 0.876 nan 8.310 nan 0.000 0.488 312 D N 1.288 121.748 120.400 0.101 0.000 2.339 312 D HA 0.213 4.853 4.640 -0.000 0.000 0.217 312 D C 0.509 176.910 176.300 0.169 0.000 1.050 312 D CA -0.026 54.069 54.000 0.159 0.000 0.856 312 D CB -0.033 40.850 40.800 0.139 0.000 0.922 312 D HN 0.249 nan 8.370 nan 0.000 0.518 313 A N 0.709 123.565 122.820 0.061 0.000 2.322 313 A HA 0.501 4.820 4.320 -0.000 0.000 0.269 313 A C -0.571 176.822 177.584 -0.317 0.000 1.094 313 A CA -0.636 51.356 52.037 -0.076 0.000 0.807 313 A CB 0.175 19.172 19.000 -0.004 0.000 1.047 313 A HN 0.402 nan 8.150 nan 0.000 0.487 314 Y N -1.290 118.715 120.300 -0.491 0.000 2.576 314 Y HA 0.815 5.364 4.550 -0.000 0.000 0.346 314 Y C -1.292 174.192 175.900 -0.693 0.000 1.018 314 Y CA -1.740 55.769 58.100 -0.985 0.000 1.050 314 Y CB 1.432 39.162 38.460 -1.218 0.000 1.280 314 Y HN 0.472 nan 8.280 nan 0.000 0.474 315 F N 1.686 121.671 119.950 0.057 0.000 2.540 315 F HA 0.764 5.290 4.527 -0.000 0.000 0.317 315 F C -0.337 175.472 175.800 0.014 0.000 1.104 315 F CA -0.948 57.070 58.000 0.030 0.000 0.913 315 F CB 2.540 41.513 39.000 -0.044 0.000 1.170 315 F HN 0.750 nan 8.300 nan 0.000 0.450 316 S N 2.132 117.959 115.700 0.213 0.000 2.567 316 S HA 0.643 5.113 4.470 -0.000 0.000 0.270 316 S C -1.611 173.036 174.600 0.079 0.000 1.152 316 S CA -1.008 57.243 58.200 0.085 0.000 0.835 316 S CB 1.621 64.817 63.200 -0.007 0.000 1.115 316 S HN 0.677 nan 8.310 nan 0.000 0.459 317 L N 2.336 123.586 121.223 0.045 0.000 2.581 317 L HA 0.386 4.726 4.340 -0.000 0.000 0.241 317 L C -1.465 175.425 176.870 0.032 0.000 1.265 317 L CA -2.037 52.830 54.840 0.045 0.000 0.954 317 L CB 1.158 43.240 42.059 0.039 0.000 1.269 317 L HN 0.617 nan 8.230 nan 0.000 0.475 318 P HA -0.252 nan 4.420 nan 0.000 0.218 318 P C 0.829 178.139 177.300 0.017 0.000 1.150 318 P CA 0.983 64.089 63.100 0.010 0.000 0.841 318 P CB 0.243 31.948 31.700 0.007 0.000 0.784 319 A N -0.550 122.290 122.820 0.032 0.000 3.092 319 A HA 0.362 4.682 4.320 -0.000 0.000 0.278 319 A C 1.437 179.040 177.584 0.033 0.000 1.956 319 A CA 0.494 52.552 52.037 0.035 0.000 1.501 319 A CB -1.012 18.019 19.000 0.053 0.000 0.977 319 A HN 0.322 nan 8.150 nan 0.000 0.607 320 A N 1.732 124.565 122.820 0.022 0.000 2.283 320 A HA 0.345 4.664 4.320 -0.000 0.000 0.225 320 A C 1.913 179.508 177.584 0.018 0.000 2.109 320 A CA 0.941 52.990 52.037 0.021 0.000 0.889 320 A CB -0.487 18.522 19.000 0.014 0.000 1.437 320 A HN 0.524 nan 8.150 nan 0.000 0.595 321 K N 0.599 121.007 120.400 0.012 0.000 1.988 321 K HA -0.139 4.181 4.320 -0.000 0.000 0.221 321 K C -0.041 176.567 176.600 0.013 0.000 1.053 321 K CA 2.047 58.341 56.287 0.012 0.000 0.959 321 K CB -0.242 32.263 32.500 0.007 0.000 0.728 321 K HN 0.547 nan 8.250 nan 0.000 0.447 322 E N -0.458 119.749 120.200 0.012 0.000 2.346 322 E HA 0.411 4.761 4.350 -0.000 0.000 0.239 322 E C -0.513 176.094 176.600 0.011 0.000 0.943 322 E CA -0.338 56.069 56.400 0.013 0.000 0.751 322 E CB 1.416 31.123 29.700 0.012 0.000 1.241 322 E HN 0.485 nan 8.360 nan 0.000 0.423 323 G N 2.018 110.826 108.800 0.014 0.000 2.731 323 G HA2 0.568 4.528 3.960 -0.000 0.000 0.309 323 G HA3 0.568 4.528 3.960 -0.000 0.000 0.309 323 G C -0.921 173.988 174.900 0.015 0.000 1.273 323 G CA -0.747 44.362 45.100 0.015 0.000 0.798 323 G HN 0.370 nan 8.290 nan 0.000 0.509 324 I N -1.711 118.875 120.570 0.027 0.000 2.982 324 I HA 0.752 4.922 4.170 -0.000 0.000 0.312 324 I C -0.386 175.770 176.117 0.066 0.000 1.041 324 I CA -1.122 60.194 61.300 0.027 0.000 1.053 324 I CB 1.561 39.578 38.000 0.028 0.000 1.248 324 I HN 0.277 nan 8.210 nan 0.000 0.471 325 I N 3.405 124.025 120.570 0.083 0.000 2.872 325 I HA 0.071 4.241 4.170 -0.000 0.000 0.291 325 I C -1.671 174.567 176.117 0.202 0.000 1.216 325 I CA -1.547 59.852 61.300 0.166 0.000 1.424 325 I CB 0.044 38.206 38.000 0.270 0.000 1.351 325 I HN 0.513 nan 8.210 nan 0.000 0.592 326 P HA 0.183 nan 4.420 nan 0.000 0.228 326 P C 0.420 177.785 177.300 0.108 0.000 1.764 326 P CA 0.245 63.419 63.100 0.124 0.000 0.929 326 P CB -0.102 31.647 31.700 0.082 0.000 1.675 327 G N 1.381 110.287 108.800 0.176 0.000 2.642 327 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.231 327 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.231 327 G C 0.637 175.484 174.900 -0.090 0.000 1.338 327 G CA -0.280 44.819 45.100 -0.002 0.000 0.883 327 G HN 0.321 nan 8.290 nan 0.000 0.570 328 A N -0.114 122.555 122.820 -0.252 0.000 2.236 328 A HA 0.578 4.898 4.320 -0.000 0.000 0.214 328 A C 2.394 179.781 177.584 -0.328 0.000 1.287 328 A CA 1.641 53.448 52.037 -0.382 0.000 0.909 328 A CB -0.932 17.850 19.000 -0.363 0.000 0.839 328 A HN 2.290 nan 8.150 nan 0.000 0.486 329 A N 0.699 123.428 122.820 -0.151 0.000 1.930 329 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 329 A C 1.721 179.256 177.584 -0.082 0.000 1.175 329 A CA 1.636 53.610 52.037 -0.105 0.000 0.627 329 A CB -0.463 18.511 19.000 -0.044 0.000 0.815 329 A HN 0.566 nan 8.150 nan 0.000 0.443 330 N N -0.524 118.164 118.700 -0.020 0.000 2.453 330 N HA -0.062 4.677 4.740 -0.000 0.000 0.183 330 N C 1.236 176.706 175.510 -0.067 0.000 1.041 330 N CA 0.980 54.063 53.050 0.055 0.000 0.900 330 N CB -0.197 38.439 38.487 0.249 0.000 0.961 330 N HN 0.478 nan 8.380 nan 0.000 0.443 331 L N -0.483 120.490 121.223 -0.416 0.000 2.354 331 L HA 0.231 4.571 4.340 -0.000 0.000 0.212 331 L C 1.568 178.308 176.870 -0.217 0.000 1.091 331 L CA 1.193 55.724 54.840 -0.515 0.000 0.828 331 L CB 0.198 41.570 42.059 -1.145 0.000 0.973 331 L HN -0.103 nan 8.230 nan 0.000 0.461 332 R N -1.810 118.600 120.500 -0.149 0.000 2.191 332 R HA 0.163 4.502 4.340 -0.000 0.000 0.196 332 R C 1.870 178.252 176.300 0.136 0.000 0.991 332 R CA 0.501 56.611 56.100 0.017 0.000 1.075 332 R CB -0.366 29.942 30.300 0.012 0.000 1.040 332 R HN 0.158 nan 8.270 nan 0.000 0.526 333 L N 0.962 122.203 121.223 0.031 0.000 2.013 333 L HA -0.102 4.238 4.340 -0.000 0.000 0.212 333 L C 2.073 179.022 176.870 0.131 0.000 1.073 333 L CA 2.274 57.145 54.840 0.053 0.000 0.753 333 L CB -1.030 41.031 42.059 0.004 0.000 0.890 333 L HN 0.283 nan 8.230 nan 0.000 0.432 334 G N -1.275 107.576 108.800 0.085 0.000 2.475 334 G HA2 -0.347 3.612 3.960 -0.000 0.000 0.220 334 G HA3 -0.347 3.612 3.960 -0.000 0.000 0.220 334 G C 1.834 176.784 174.900 0.083 0.000 1.125 334 G CA 0.852 45.996 45.100 0.074 0.000 0.755 334 G HN 0.408 nan 8.290 nan 0.000 0.565 335 R N -0.904 119.658 120.500 0.103 0.000 2.189 335 R HA 0.083 4.423 4.340 -0.000 0.000 0.218 335 R C 1.823 178.095 176.300 -0.047 0.000 1.074 335 R CA 0.748 56.854 56.100 0.010 0.000 0.991 335 R CB -0.158 30.118 30.300 -0.041 0.000 0.883 335 R HN 0.491 nan 8.270 nan 0.000 0.457 336 F N -1.546 118.390 119.950 -0.022 0.000 2.505 336 F HA 0.235 4.762 4.527 -0.000 0.000 0.289 336 F C 1.894 177.693 175.800 -0.002 0.000 1.101 336 F CA 0.518 58.509 58.000 -0.015 0.000 1.446 336 F CB 0.441 39.428 39.000 -0.022 0.000 1.123 336 F HN 0.010 nan 8.300 nan 0.000 0.564 337 A N -0.202 122.740 122.820 0.202 0.000 2.508 337 A HA 0.591 4.911 4.320 -0.000 0.000 0.250 337 A C 0.913 178.544 177.584 0.078 0.000 1.208 337 A CA 0.381 52.490 52.037 0.121 0.000 0.960 337 A CB -0.494 18.571 19.000 0.108 0.000 1.099 337 A HN 0.432 nan 8.150 nan 0.000 0.542 338 G N 0.317 109.158 108.800 0.067 0.000 2.733 338 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.686 338 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.686 338 G C -1.386 173.540 174.900 0.044 0.000 1.373 338 G CA -0.263 44.864 45.100 0.045 0.000 0.838 338 G HN 0.108 nan 8.290 nan 0.000 0.588 339 P HA -0.118 nan 4.420 nan 0.000 0.223 339 P C 1.391 178.711 177.300 0.034 0.000 1.144 339 P CA 1.066 64.186 63.100 0.035 0.000 0.783 339 P CB 0.156 31.873 31.700 0.028 0.000 0.771 340 R N -0.799 119.721 120.500 0.034 0.000 2.167 340 R HA 0.101 4.441 4.340 -0.000 0.000 0.201 340 R C 2.399 178.722 176.300 0.037 0.000 1.024 340 R CA 0.300 56.420 56.100 0.033 0.000 1.053 340 R CB -1.407 28.910 30.300 0.029 0.000 0.987 340 R HN 0.091 nan 8.270 nan 0.000 0.493 341 V N 2.135 122.075 119.914 0.043 0.000 2.223 341 V HA -0.360 3.760 4.120 -0.000 0.000 0.253 341 V C 2.601 178.723 176.094 0.046 0.000 1.061 341 V CA 2.753 65.083 62.300 0.050 0.000 1.035 341 V CB -1.078 30.782 31.823 0.062 0.000 0.653 341 V HN 0.469 nan 8.190 nan 0.000 0.454 342 S N 0.203 115.931 115.700 0.047 0.000 2.399 342 S HA -0.219 4.251 4.470 -0.000 0.000 0.231 342 S C 2.004 176.628 174.600 0.039 0.000 1.022 342 S CA 1.691 59.917 58.200 0.044 0.000 0.983 342 S CB -0.499 62.730 63.200 0.047 0.000 0.803 342 S HN 0.611 nan 8.310 nan 0.000 0.480 343 R N 0.690 121.213 120.500 0.038 0.000 2.119 343 R HA 0.133 4.473 4.340 -0.000 0.000 0.222 343 R C 2.790 179.109 176.300 0.032 0.000 1.088 343 R CA 1.193 57.315 56.100 0.035 0.000 0.984 343 R CB -0.266 30.054 30.300 0.033 0.000 0.884 343 R HN 0.575 nan 8.270 nan 0.000 0.447 344 Q N 0.058 119.877 119.800 0.032 0.000 2.079 344 Q HA -0.107 4.232 4.340 -0.000 0.000 0.200 344 Q C 2.137 178.153 176.000 0.027 0.000 0.974 344 Q CA 1.415 57.235 55.803 0.029 0.000 0.840 344 Q CB 0.113 28.871 28.738 0.033 0.000 0.898 344 Q HN 0.144 nan 8.270 nan 0.000 0.430 345 V N 0.646 120.579 119.914 0.030 0.000 2.283 345 V HA -0.214 3.906 4.120 -0.000 0.000 0.243 345 V C 2.060 178.169 176.094 0.026 0.000 1.039 345 V CA 1.544 63.860 62.300 0.027 0.000 1.016 345 V CB -0.320 31.522 31.823 0.032 0.000 0.650 345 V HN 0.331 nan 8.190 nan 0.000 0.449 346 I N -0.842 119.746 120.570 0.031 0.000 2.406 346 I HA -0.118 4.052 4.170 -0.000 0.000 0.249 346 I C 2.144 178.282 176.117 0.035 0.000 1.122 346 I CA 1.182 62.504 61.300 0.036 0.000 1.431 346 I CB -0.136 37.891 38.000 0.045 0.000 1.087 346 I HN 0.236 nan 8.210 nan 0.000 0.424 347 L N 0.066 121.308 121.223 0.032 0.000 2.116 347 L HA -0.019 4.320 4.340 -0.000 0.000 0.200 347 L C 2.396 179.279 176.870 0.022 0.000 1.084 347 L CA 0.911 55.768 54.840 0.028 0.000 0.766 347 L CB -0.536 41.539 42.059 0.028 0.000 0.930 347 L HN 0.116 nan 8.230 nan 0.000 0.453 348 E N 0.451 120.663 120.200 0.020 0.000 2.418 348 E HA -0.052 4.298 4.350 -0.000 0.000 0.197 348 E C 1.265 177.871 176.600 0.010 0.000 1.026 348 E CA 0.851 57.260 56.400 0.015 0.000 0.862 348 E CB 0.040 29.750 29.700 0.016 0.000 0.799 348 E HN 0.606 nan 8.360 nan 0.000 0.518 349 G N 2.634 111.440 108.800 0.010 0.000 2.147 349 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.244 349 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.244 349 G C 0.309 175.203 174.900 -0.011 0.000 1.005 349 G CA 0.490 45.590 45.100 -0.000 0.000 0.713 349 G HN 0.293 nan 8.290 nan 0.000 0.515 350 R N -0.095 120.406 120.500 0.001 0.000 2.756 350 R HA 0.387 4.726 4.340 -0.000 0.000 0.264 350 R C 0.491 176.773 176.300 -0.030 0.000 1.026 350 R CA 0.197 56.297 56.100 -0.001 0.000 1.121 350 R CB 0.271 30.584 30.300 0.022 0.000 0.999 350 R HN 0.375 nan 8.270 nan 0.000 0.449 351 R N 3.562 124.026 120.500 -0.060 0.000 2.476 351 R HA 0.304 4.644 4.340 -0.000 0.000 0.305 351 R C -1.250 174.938 176.300 -0.188 0.000 0.965 351 R CA -0.679 55.310 56.100 -0.185 0.000 0.867 351 R CB 0.900 30.970 30.300 -0.383 0.000 1.176 351 R HN 0.457 nan 8.270 nan 0.000 0.447 352 I N 4.497 124.974 120.570 -0.154 0.000 2.365 352 I HA 0.291 4.461 4.170 -0.000 0.000 0.291 352 I C -0.605 175.305 176.117 -0.346 0.000 1.004 352 I CA -0.019 61.238 61.300 -0.071 0.000 1.311 352 I CB 0.760 38.831 38.000 0.118 0.000 1.401 352 I HN 0.505 nan 8.210 nan 0.000 0.491 353 W N 4.509 125.725 121.300 -0.140 0.000 2.448 353 W HA 0.563 5.223 4.660 -0.000 0.000 0.339 353 W C 1.222 177.607 176.519 -0.222 0.000 1.124 353 W CA -0.516 56.708 57.345 -0.203 0.000 1.262 353 W CB 0.992 30.396 29.460 -0.093 0.000 1.251 353 W HN 0.615 nan 8.180 nan 0.000 0.597 354 A N 1.878 124.655 122.820 -0.071 0.000 1.908 354 A HA -0.176 4.143 4.320 -0.000 0.000 0.218 354 A C 1.841 179.492 177.584 0.112 0.000 1.181 354 A CA 1.408 53.449 52.037 0.007 0.000 0.627 354 A CB -0.273 18.742 19.000 0.025 0.000 0.818 354 A HN 0.521 nan 8.150 nan 0.000 0.445 355 K N 0.648 121.121 120.400 0.121 0.000 2.505 355 K HA 0.024 4.344 4.320 -0.000 0.000 0.192 355 K C 0.302 176.950 176.600 0.080 0.000 1.025 355 K CA 0.350 56.690 56.287 0.089 0.000 1.086 355 K CB -0.135 32.401 32.500 0.059 0.000 0.840 355 K HN 0.918 nan 8.250 nan 0.000 0.514 356 E N -0.304 119.962 120.200 0.111 0.000 2.242 356 E HA 0.195 4.545 4.350 -0.000 0.000 0.275 356 E C -2.165 174.491 176.600 0.094 0.000 1.002 356 E CA -2.009 54.446 56.400 0.093 0.000 0.841 356 E CB 1.164 30.935 29.700 0.117 0.000 1.109 356 E HN -0.296 nan 8.360 nan 0.000 0.394 357 P HA -0.277 nan 4.420 nan 0.000 0.219 357 P C 0.333 177.682 177.300 0.082 0.000 1.161 357 P CA 1.777 64.918 63.100 0.067 0.000 0.909 357 P CB 0.082 31.813 31.700 0.052 0.000 0.793 358 E N -1.228 119.027 120.200 0.091 0.000 2.516 358 E HA 0.022 4.371 4.350 -0.000 0.000 0.199 358 E C 1.675 178.355 176.600 0.133 0.000 1.069 358 E CA 0.438 56.899 56.400 0.101 0.000 0.876 358 E CB -0.317 29.440 29.700 0.095 0.000 0.843 358 E HN 0.255 nan 8.360 nan 0.000 0.530 359 A N 0.977 123.889 122.820 0.154 0.000 2.123 359 A HA -0.036 4.284 4.320 -0.000 0.000 0.214 359 A C 1.872 179.564 177.584 0.180 0.000 1.152 359 A CA 0.319 52.491 52.037 0.225 0.000 0.728 359 A CB -0.035 19.114 19.000 0.249 0.000 0.814 359 A HN 0.041 nan 8.150 nan 0.000 0.464 360 R N -1.065 119.512 120.500 0.128 0.000 2.339 360 R HA 0.139 4.479 4.340 -0.000 0.000 0.199 360 R C 0.115 176.476 176.300 0.102 0.000 1.018 360 R CA 0.308 56.468 56.100 0.100 0.000 1.036 360 R CB -0.047 30.300 30.300 0.078 0.000 0.899 360 R HN 0.328 nan 8.270 nan 0.000 0.473 361 L N -0.701 120.594 121.223 0.120 0.000 2.906 361 L HA 0.216 4.556 4.340 -0.000 0.000 0.255 361 L C 0.776 177.754 176.870 0.179 0.000 1.166 361 L CA 0.616 55.546 54.840 0.151 0.000 0.977 361 L CB 0.714 42.854 42.059 0.134 0.000 1.313 361 L HN 0.090 nan 8.230 nan 0.000 0.549 362 L N -2.753 118.518 121.223 0.080 0.000 2.854 362 L HA 0.351 4.691 4.340 -0.000 0.000 0.249 362 L C 0.122 176.925 176.870 -0.113 0.000 1.091 362 L CA 0.078 54.870 54.840 -0.080 0.000 0.935 362 L CB 0.699 42.606 42.059 -0.253 0.000 1.367 362 L HN -0.230 nan 8.230 nan 0.000 0.524 363 V N 0.199 120.087 119.914 -0.043 0.000 2.581 363 V HA 0.258 4.378 4.120 -0.000 0.000 0.303 363 V C 0.250 176.358 176.094 0.023 0.000 1.041 363 V CA -0.483 61.790 62.300 -0.045 0.000 0.907 363 V CB 2.361 34.190 31.823 0.010 0.000 0.994 363 V HN 0.083 nan 8.190 nan 0.000 0.442 364 D N 1.603 122.009 120.400 0.009 0.000 2.277 364 D HA 0.117 4.756 4.640 -0.000 0.000 0.209 364 D C 0.299 176.614 176.300 0.025 0.000 0.970 364 D CA 0.849 54.863 54.000 0.024 0.000 0.874 364 D CB 0.925 41.736 40.800 0.019 0.000 0.982 364 D HN 0.717 nan 8.370 nan 0.000 0.504 365 E N -0.215 119.997 120.200 0.020 0.000 2.366 365 E HA 0.489 4.839 4.350 -0.000 0.000 0.278 365 E C -1.299 175.323 176.600 0.037 0.000 0.923 365 E CA -0.668 55.747 56.400 0.025 0.000 0.761 365 E CB 3.430 33.138 29.700 0.012 0.000 1.231 365 E HN -0.279 nan 8.360 nan 0.000 0.443 366 V N 1.733 121.674 119.914 0.045 0.000 2.525 366 V HA 0.524 4.644 4.120 -0.000 0.000 0.299 366 V C -0.687 175.431 176.094 0.041 0.000 1.034 366 V CA -0.816 61.518 62.300 0.057 0.000 0.863 366 V CB 1.443 33.313 31.823 0.079 0.000 0.999 366 V HN 0.545 nan 8.190 nan 0.000 0.423 367 V N 0.698 120.633 119.914 0.035 0.000 2.925 367 V HA 0.689 4.809 4.120 -0.000 0.000 0.311 367 V C -0.342 175.768 176.094 0.027 0.000 1.104 367 V CA -0.988 61.328 62.300 0.027 0.000 0.954 367 V CB 2.109 33.943 31.823 0.018 0.000 1.022 367 V HN 0.695 nan 8.190 nan 0.000 0.427 368 E N 4.474 124.689 120.200 0.025 0.000 2.502 368 E HA 0.101 4.451 4.350 -0.000 0.000 0.261 368 E C -1.584 175.029 176.600 0.023 0.000 0.974 368 E CA -1.457 54.959 56.400 0.026 0.000 0.936 368 E CB 0.779 30.492 29.700 0.022 0.000 0.926 368 E HN 0.599 nan 8.360 nan 0.000 0.459 369 P HA -0.242 nan 4.420 nan 0.000 0.218 369 P C 0.557 177.867 177.300 0.017 0.000 1.152 369 P CA 1.416 64.529 63.100 0.022 0.000 0.857 369 P CB 0.302 32.018 31.700 0.027 0.000 0.787 370 D N 0.226 120.637 120.400 0.018 0.000 2.154 370 D HA -0.209 4.431 4.640 -0.000 0.000 0.190 370 D C 1.739 178.046 176.300 0.012 0.000 1.003 370 D CA 1.919 55.927 54.000 0.015 0.000 0.849 370 D CB -0.447 40.361 40.800 0.014 0.000 0.942 370 D HN 0.551 nan 8.370 nan 0.000 0.446 371 E N -0.576 119.631 120.200 0.012 0.000 2.538 371 E HA 0.110 4.460 4.350 -0.000 0.000 0.207 371 E C 1.459 178.063 176.600 0.007 0.000 1.002 371 E CA -0.240 56.165 56.400 0.009 0.000 0.952 371 E CB 0.095 29.800 29.700 0.009 0.000 1.031 371 E HN 0.129 nan 8.360 nan 0.000 0.476 372 L N 2.043 123.271 121.223 0.008 0.000 2.083 372 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 372 L C 1.418 178.288 176.870 -0.000 0.000 1.083 372 L CA 2.014 56.856 54.840 0.004 0.000 0.752 372 L CB -0.343 41.719 42.059 0.004 0.000 0.899 372 L HN -0.009 nan 8.230 nan 0.000 0.433 373 D N -0.007 120.394 120.400 0.002 0.000 2.133 373 D HA -0.208 4.432 4.640 -0.000 0.000 0.195 373 D C 2.171 178.469 176.300 -0.002 0.000 0.997 373 D CA 1.709 55.709 54.000 0.000 0.000 0.840 373 D CB -0.229 40.573 40.800 0.004 0.000 0.947 373 D HN 0.524 nan 8.370 nan 0.000 0.452 374 A N 0.722 123.541 122.820 -0.000 0.000 1.929 374 A HA 0.081 4.401 4.320 -0.000 0.000 0.216 374 A C 2.291 179.873 177.584 -0.004 0.000 1.176 374 A CA 1.877 53.913 52.037 -0.002 0.000 0.628 374 A CB -0.593 18.407 19.000 0.000 0.000 0.816 374 A HN 0.225 nan 8.150 nan 0.000 0.444 375 A N 0.420 123.238 122.820 -0.003 0.000 1.877 375 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 375 A C 2.089 179.667 177.584 -0.010 0.000 1.186 375 A CA 1.521 53.555 52.037 -0.005 0.000 0.620 375 A CB -0.685 18.314 19.000 -0.002 0.000 0.822 375 A HN 0.511 nan 8.150 nan 0.000 0.443 376 I N -0.387 120.175 120.570 -0.013 0.000 2.127 376 I HA -0.276 3.894 4.170 -0.000 0.000 0.241 376 I C 2.530 178.636 176.117 -0.018 0.000 1.075 376 I CA 1.456 62.745 61.300 -0.019 0.000 1.334 376 I CB -0.663 37.325 38.000 -0.020 0.000 1.040 376 I HN 0.292 nan 8.210 nan 0.000 0.405 377 E N 1.376 121.567 120.200 -0.015 0.000 2.019 377 E HA -0.245 4.105 4.350 -0.000 0.000 0.208 377 E C 2.195 178.785 176.600 -0.016 0.000 1.030 377 E CA 1.518 57.908 56.400 -0.016 0.000 0.856 377 E CB -0.596 29.096 29.700 -0.012 0.000 0.781 377 E HN 0.442 nan 8.360 nan 0.000 0.471 378 R N 0.690 121.182 120.500 -0.012 0.000 2.294 378 R HA -0.147 4.193 4.340 -0.000 0.000 0.250 378 R C 2.372 178.664 176.300 -0.012 0.000 1.181 378 R CA 1.521 57.614 56.100 -0.011 0.000 1.016 378 R CB -0.360 29.936 30.300 -0.007 0.000 0.869 378 R HN 0.240 nan 8.270 nan 0.000 0.476 379 S N -0.095 115.597 115.700 -0.014 0.000 2.470 379 S HA 0.076 4.545 4.470 -0.000 0.000 0.222 379 S C 1.815 176.404 174.600 -0.018 0.000 1.024 379 S CA -0.025 58.167 58.200 -0.013 0.000 0.931 379 S CB -0.050 63.143 63.200 -0.011 0.000 0.791 379 S HN 0.189 nan 8.310 nan 0.000 0.513 380 L N 2.488 123.697 121.223 -0.024 0.000 2.549 380 L HA 0.022 4.362 4.340 -0.000 0.000 0.230 380 L C 2.225 179.073 176.870 -0.037 0.000 1.162 380 L CA 1.330 56.149 54.840 -0.036 0.000 0.834 380 L CB -0.865 41.171 42.059 -0.039 0.000 0.947 380 L HN 0.612 nan 8.230 nan 0.000 0.452 381 T N -5.094 109.444 114.554 -0.028 0.000 3.129 381 T HA 0.179 4.529 4.350 -0.000 0.000 0.267 381 T C 1.458 176.145 174.700 -0.023 0.000 1.018 381 T CA -0.420 61.664 62.100 -0.027 0.000 0.903 381 T CB 0.212 69.067 68.868 -0.022 0.000 1.067 381 T HN 0.211 nan 8.240 nan 0.000 0.549 382 R N 0.109 120.597 120.500 -0.021 0.000 2.365 382 R HA 0.419 4.759 4.340 -0.000 0.000 0.223 382 R C 0.902 177.192 176.300 -0.017 0.000 0.899 382 R CA 0.096 56.186 56.100 -0.016 0.000 1.059 382 R CB 0.275 30.568 30.300 -0.010 0.000 1.086 382 R HN 0.376 nan 8.270 nan 0.000 0.522 383 L N 0.469 121.678 121.223 -0.022 0.000 2.818 383 L HA 0.177 4.517 4.340 -0.000 0.000 0.243 383 L C 0.540 177.389 176.870 -0.035 0.000 1.185 383 L CA -0.173 54.652 54.840 -0.024 0.000 0.988 383 L CB 0.362 42.409 42.059 -0.020 0.000 1.292 383 L HN -0.100 nan 8.230 nan 0.000 0.519 384 D N 1.229 121.607 120.400 -0.035 0.000 2.178 384 D HA -0.066 4.574 4.640 -0.000 0.000 0.201 384 D C 1.540 177.820 176.300 -0.034 0.000 0.980 384 D CA 0.827 54.803 54.000 -0.039 0.000 0.842 384 D CB 0.079 40.859 40.800 -0.034 0.000 0.948 384 D HN 0.340 nan 8.370 nan 0.000 0.472 385 G N -0.028 108.755 108.800 -0.029 0.000 2.590 385 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.276 385 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.276 385 G C 0.572 175.455 174.900 -0.028 0.000 1.337 385 G CA -0.185 44.899 45.100 -0.026 0.000 1.030 385 G HN -0.022 nan 8.290 nan 0.000 0.534 386 D N -0.917 119.466 120.400 -0.027 0.000 2.379 386 D HA 0.091 4.731 4.640 -0.000 0.000 0.218 386 D C 2.552 178.831 176.300 -0.035 0.000 1.006 386 D CA 0.756 54.738 54.000 -0.030 0.000 0.893 386 D CB 0.286 41.069 40.800 -0.029 0.000 1.019 386 D HN 0.325 nan 8.370 nan 0.000 0.503 387 A N 0.852 123.652 122.820 -0.032 0.000 1.929 387 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 387 A C 2.137 179.702 177.584 -0.031 0.000 1.176 387 A CA 0.666 52.683 52.037 -0.034 0.000 0.628 387 A CB -0.501 18.481 19.000 -0.029 0.000 0.816 387 A HN 0.100 nan 8.150 nan 0.000 0.444 388 V N 0.213 120.110 119.914 -0.027 0.000 3.330 388 V HA -0.137 3.983 4.120 -0.000 0.000 0.273 388 V C 1.861 177.941 176.094 -0.024 0.000 1.179 388 V CA 1.335 63.621 62.300 -0.023 0.000 1.174 388 V CB -0.856 30.955 31.823 -0.021 0.000 0.794 388 V HN 0.537 nan 8.190 nan 0.000 0.527 389 L N -0.880 120.325 121.223 -0.031 0.000 2.547 389 L HA 0.293 4.633 4.340 -0.000 0.000 0.218 389 L C 2.371 179.215 176.870 -0.042 0.000 1.048 389 L CA 0.963 55.783 54.840 -0.033 0.000 0.859 389 L CB -0.350 41.688 42.059 -0.035 0.000 1.128 389 L HN 0.241 nan 8.230 nan 0.000 0.483 390 A N -0.343 122.449 122.820 -0.047 0.000 2.132 390 A HA 0.007 4.327 4.320 -0.000 0.000 0.213 390 A C 1.764 179.319 177.584 -0.050 0.000 1.154 390 A CA 0.529 52.531 52.037 -0.057 0.000 0.753 390 A CB -0.197 18.764 19.000 -0.065 0.000 0.826 390 A HN 0.315 nan 8.150 nan 0.000 0.469 391 N N -0.064 118.612 118.700 -0.040 0.000 2.290 391 N HA -0.078 4.662 4.740 -0.000 0.000 0.179 391 N C 1.892 177.381 175.510 -0.036 0.000 1.016 391 N CA 0.863 53.891 53.050 -0.036 0.000 0.871 391 N CB -0.308 38.161 38.487 -0.030 0.000 0.987 391 N HN 0.584 nan 8.380 nan 0.000 0.431 392 R N 1.738 122.220 120.500 -0.031 0.000 2.075 392 R HA -0.032 4.308 4.340 -0.000 0.000 0.230 392 R C 2.204 178.479 176.300 -0.041 0.000 1.140 392 R CA 1.175 57.259 56.100 -0.026 0.000 0.928 392 R CB -0.251 30.041 30.300 -0.013 0.000 0.834 392 R HN 0.060 nan 8.270 nan 0.000 0.429 393 R N -0.268 120.203 120.500 -0.048 0.000 2.133 393 R HA -0.152 4.188 4.340 -0.000 0.000 0.247 393 R C 2.175 178.437 176.300 -0.063 0.000 1.151 393 R CA 2.034 58.097 56.100 -0.062 0.000 0.971 393 R CB -0.088 30.171 30.300 -0.068 0.000 0.866 393 R HN 0.279 nan 8.270 nan 0.000 0.447 394 M N 0.079 119.644 119.600 -0.057 0.000 2.349 394 M HA -0.052 4.428 4.480 -0.000 0.000 0.266 394 M C 2.109 178.377 176.300 -0.053 0.000 1.076 394 M CA 1.084 56.351 55.300 -0.054 0.000 1.126 394 M CB -0.550 32.020 32.600 -0.049 0.000 1.392 394 M HN 0.219 nan 8.290 nan 0.000 0.440 395 L N 0.048 121.239 121.223 -0.053 0.000 2.005 395 L HA -0.205 4.135 4.340 -0.000 0.000 0.207 395 L C 2.161 178.992 176.870 -0.066 0.000 1.072 395 L CA 0.930 55.735 54.840 -0.058 0.000 0.744 395 L CB -0.748 41.279 42.059 -0.055 0.000 0.895 395 L HN 0.300 nan 8.230 nan 0.000 0.433 396 N N 0.212 118.871 118.700 -0.067 0.000 2.272 396 N HA -0.200 4.539 4.740 -0.000 0.000 0.185 396 N C 1.843 177.308 175.510 -0.075 0.000 1.014 396 N CA 1.108 54.111 53.050 -0.078 0.000 0.870 396 N CB -0.178 38.256 38.487 -0.088 0.000 0.975 396 N HN 0.345 nan 8.380 nan 0.000 0.433 397 L N 0.491 121.674 121.223 -0.067 0.000 2.056 397 L HA -0.073 4.267 4.340 -0.000 0.000 0.207 397 L C 2.081 178.922 176.870 -0.047 0.000 1.078 397 L CA 1.096 55.902 54.840 -0.056 0.000 0.749 397 L CB -0.244 41.783 42.059 -0.053 0.000 0.901 397 L HN 0.078 nan 8.230 nan 0.000 0.433 398 A N -0.681 122.109 122.820 -0.051 0.000 1.968 398 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 398 A C 1.788 179.338 177.584 -0.056 0.000 1.169 398 A CA 1.513 53.521 52.037 -0.048 0.000 0.638 398 A CB -0.428 18.543 19.000 -0.050 0.000 0.812 398 A HN 0.440 nan 8.150 nan 0.000 0.446 399 D N -0.416 119.942 120.400 -0.070 0.000 2.084 399 D HA -0.042 4.597 4.640 -0.000 0.000 0.196 399 D C 0.850 177.112 176.300 -0.064 0.000 0.985 399 D CA 1.229 55.178 54.000 -0.086 0.000 0.826 399 D CB 0.060 40.794 40.800 -0.109 0.000 0.978 399 D HN 0.652 nan 8.370 nan 0.000 0.456 400 E N 0.243 120.412 120.200 -0.053 0.000 2.283 400 E HA 0.280 4.630 4.350 -0.000 0.000 0.258 400 E C -0.938 175.657 176.600 -0.008 0.000 0.893 400 E CA -0.427 55.956 56.400 -0.028 0.000 0.798 400 E CB 1.119 30.791 29.700 -0.046 0.000 1.242 400 E HN 0.005 nan 8.360 nan 0.000 0.414 401 S N 3.391 119.100 115.700 0.015 0.000 2.585 401 S HA 0.251 4.721 4.470 -0.000 0.000 0.273 401 S C -1.852 172.789 174.600 0.068 0.000 1.339 401 S CA -0.984 57.231 58.200 0.025 0.000 1.028 401 S CB 1.299 64.511 63.200 0.020 0.000 0.906 401 S HN 0.376 nan 8.310 nan 0.000 0.528 402 P HA -0.096 nan 4.420 nan 0.000 0.214 402 P C 0.850 178.220 177.300 0.117 0.000 1.163 402 P CA 1.252 64.414 63.100 0.104 0.000 0.883 402 P CB -0.033 31.703 31.700 0.061 0.000 0.788 403 D N -0.773 119.666 120.400 0.064 0.000 2.103 403 D HA -0.147 4.492 4.640 -0.000 0.000 0.190 403 D C 2.297 178.628 176.300 0.051 0.000 0.997 403 D CA 1.893 55.918 54.000 0.042 0.000 0.833 403 D CB -1.335 39.478 40.800 0.022 0.000 0.961 403 D HN 0.111 nan 8.370 nan 0.000 0.447 404 G N 0.214 109.051 108.800 0.062 0.000 2.556 404 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.220 404 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.220 404 G C 1.553 176.517 174.900 0.106 0.000 1.156 404 G CA 1.007 46.149 45.100 0.070 0.000 0.766 404 G HN 0.299 nan 8.290 nan 0.000 0.583 405 F N 1.244 121.180 119.950 -0.025 0.000 2.113 405 F HA 0.072 4.599 4.527 -0.000 0.000 0.297 405 F C 2.723 178.507 175.800 -0.026 0.000 1.103 405 F CA 1.761 59.728 58.000 -0.054 0.000 1.248 405 F CB -0.323 38.612 39.000 -0.107 0.000 0.999 405 F HN 0.033 nan 8.300 nan 0.000 0.475 406 R N 0.174 120.570 120.500 -0.174 0.000 2.081 406 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 406 R C 2.410 178.584 176.300 -0.209 0.000 1.131 406 R CA 1.178 57.118 56.100 -0.268 0.000 0.960 406 R CB -0.692 29.561 30.300 -0.078 0.000 0.856 406 R HN 0.431 nan 8.270 nan 0.000 0.436 407 A N 0.106 122.866 122.820 -0.100 0.000 1.883 407 A HA -0.252 4.067 4.320 -0.000 0.000 0.217 407 A C 1.981 179.514 177.584 -0.085 0.000 1.186 407 A CA 1.518 53.513 52.037 -0.070 0.000 0.624 407 A CB -0.937 18.053 19.000 -0.017 0.000 0.822 407 A HN 0.556 nan 8.150 nan 0.000 0.444 408 Y N -0.327 119.864 120.300 -0.181 0.000 2.070 408 Y HA -0.273 4.277 4.550 -0.000 0.000 0.280 408 Y C 2.418 178.195 175.900 -0.205 0.000 1.148 408 Y CA 2.368 60.366 58.100 -0.170 0.000 1.125 408 Y CB -0.304 38.046 38.460 -0.183 0.000 0.975 408 Y HN 0.230 nan 8.280 nan 0.000 0.492 409 M N 0.513 119.954 119.600 -0.264 0.000 2.089 409 M HA -0.285 4.195 4.480 -0.000 0.000 0.257 409 M C 2.482 178.675 176.300 -0.179 0.000 1.071 409 M CA 1.897 57.010 55.300 -0.311 0.000 1.096 409 M CB -2.030 30.232 32.600 -0.564 0.000 1.330 409 M HN 0.501 nan 8.290 nan 0.000 0.403 410 A N -0.218 122.481 122.820 -0.201 0.000 1.873 410 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 410 A C 2.111 179.614 177.584 -0.136 0.000 1.193 410 A CA 1.859 53.803 52.037 -0.154 0.000 0.629 410 A CB -0.699 18.210 19.000 -0.152 0.000 0.826 410 A HN 0.500 nan 8.150 nan 0.000 0.447 411 E N -1.328 118.773 120.200 -0.166 0.000 2.268 411 E HA -0.116 4.233 4.350 -0.000 0.000 0.195 411 E C 1.646 178.142 176.600 -0.173 0.000 0.995 411 E CA 0.762 57.063 56.400 -0.164 0.000 0.836 411 E CB -0.325 29.269 29.700 -0.177 0.000 0.763 411 E HN 0.736 nan 8.360 nan 0.000 0.491 412 F N 1.598 121.316 119.950 -0.386 0.000 2.128 412 F HA -0.097 4.429 4.527 -0.000 0.000 0.295 412 F C 2.248 177.940 175.800 -0.180 0.000 1.100 412 F CA 1.372 59.162 58.000 -0.349 0.000 1.260 412 F CB -0.395 38.349 39.000 -0.428 0.000 1.009 412 F HN -0.022 nan 8.300 nan 0.000 0.476 413 A N 0.647 123.426 122.820 -0.069 0.000 1.896 413 A HA -0.279 4.040 4.320 -0.000 0.000 0.220 413 A C 2.106 179.574 177.584 -0.193 0.000 1.206 413 A CA 2.337 54.301 52.037 -0.121 0.000 0.647 413 A CB -1.438 17.548 19.000 -0.023 0.000 0.828 413 A HN 0.541 nan 8.150 nan 0.000 0.455 414 L N -1.908 119.226 121.223 -0.149 0.000 2.418 414 L HA 0.111 4.451 4.340 -0.000 0.000 0.218 414 L C 2.087 178.872 176.870 -0.142 0.000 1.125 414 L CA 1.243 56.013 54.840 -0.117 0.000 0.835 414 L CB -0.291 41.722 42.059 -0.076 0.000 0.953 414 L HN 0.266 nan 8.230 nan 0.000 0.454 415 M N -1.070 118.410 119.600 -0.200 0.000 2.287 415 M HA -0.052 4.428 4.480 -0.000 0.000 0.266 415 M C 2.161 178.327 176.300 -0.224 0.000 1.079 415 M CA 1.250 56.444 55.300 -0.177 0.000 1.146 415 M CB -0.617 31.884 32.600 -0.165 0.000 1.374 415 M HN 0.401 nan 8.290 nan 0.000 0.435 416 Q N 0.178 119.729 119.800 -0.414 0.000 2.187 416 Q HA 0.087 4.427 4.340 -0.000 0.000 0.199 416 Q C 1.881 177.730 176.000 -0.251 0.000 0.957 416 Q CA 1.563 57.091 55.803 -0.459 0.000 0.857 416 Q CB -0.091 28.017 28.738 -1.050 0.000 0.929 416 Q HN 0.402 nan 8.270 nan 0.000 0.453 417 A N 0.420 123.125 122.820 -0.192 0.000 1.902 417 A HA -0.120 4.199 4.320 -0.000 0.000 0.217 417 A C 1.945 179.558 177.584 0.048 0.000 1.181 417 A CA 1.197 53.214 52.037 -0.034 0.000 0.623 417 A CB -0.720 18.271 19.000 -0.014 0.000 0.818 417 A HN 0.469 nan 8.150 nan 0.000 0.443 418 L N -1.029 120.186 121.223 -0.013 0.000 2.456 418 L HA -0.098 4.241 4.340 -0.000 0.000 0.224 418 L C 2.526 179.400 176.870 0.007 0.000 1.148 418 L CA 0.444 55.293 54.840 0.015 0.000 0.825 418 L CB -0.283 41.763 42.059 -0.021 0.000 0.937 418 L HN 0.288 nan 8.230 nan 0.000 0.450 419 R N -0.725 119.751 120.500 -0.041 0.000 2.112 419 R HA 0.039 4.379 4.340 -0.000 0.000 0.216 419 R C 2.043 178.289 176.300 -0.090 0.000 1.080 419 R CA 0.568 56.635 56.100 -0.054 0.000 0.996 419 R CB -0.604 29.654 30.300 -0.069 0.000 0.902 419 R HN 0.194 nan 8.270 nan 0.000 0.449 420 L N -0.107 121.038 121.223 -0.129 0.000 2.042 420 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 420 L C 1.778 178.341 176.870 -0.511 0.000 1.076 420 L CA 1.765 56.421 54.840 -0.306 0.000 0.749 420 L CB -0.722 41.119 42.059 -0.363 0.000 0.893 420 L HN 0.140 nan 8.230 nan 0.000 0.432 421 Y N -0.925 119.318 120.300 -0.094 0.000 2.500 421 Y HA 0.321 4.870 4.550 -0.000 0.000 0.270 421 Y C 1.739 177.534 175.900 -0.174 0.000 1.134 421 Y CA -0.274 57.743 58.100 -0.139 0.000 1.293 421 Y CB -0.664 37.704 38.460 -0.153 0.000 1.063 421 Y HN 0.073 nan 8.280 nan 0.000 0.534 422 G N -0.122 108.660 108.800 -0.030 0.000 2.391 422 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.234 422 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.234 422 G C 0.563 175.441 174.900 -0.037 0.000 1.284 422 G CA -0.167 44.928 45.100 -0.009 0.000 0.873 422 G HN 0.452 nan 8.290 nan 0.000 0.549 423 H N 1.306 120.390 119.070 0.023 0.000 2.353 423 H HA -0.157 4.398 4.556 -0.000 0.000 0.300 423 H C 2.331 177.661 175.328 0.003 0.000 1.090 423 H CA 1.855 57.914 56.048 0.018 0.000 1.327 423 H CB 0.168 29.946 29.762 0.026 0.000 1.383 423 H HN 0.807 nan 8.280 nan 0.000 0.508 424 D N 1.285 121.759 120.400 0.123 0.000 2.108 424 D HA -0.152 4.488 4.640 -0.000 0.000 0.190 424 D C 2.218 178.533 176.300 0.026 0.000 0.995 424 D CA 1.128 55.164 54.000 0.061 0.000 0.834 424 D CB -0.928 39.898 40.800 0.044 0.000 0.967 424 D HN 0.121 nan 8.370 nan 0.000 0.446 425 V N 1.520 121.436 119.914 0.004 0.000 2.265 425 V HA -0.284 3.836 4.120 -0.000 0.000 0.259 425 V C 1.919 177.997 176.094 -0.028 0.000 1.084 425 V CA 1.768 64.055 62.300 -0.022 0.000 1.076 425 V CB -0.507 31.280 31.823 -0.059 0.000 0.680 425 V HN 0.229 nan 8.190 nan 0.000 0.452 426 I N 0.000 120.550 120.570 -0.033 0.000 2.984 426 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 426 I CA 0.000 61.283 61.300 -0.028 0.000 1.566 426 I CB 0.000 37.975 38.000 -0.042 0.000 1.214 426 I HN 0.000 nan 8.210 nan 0.000 0.494