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 3k7w_1_C DATA FIRST_RESID 6 DATA SEQUENCE FTKELDQWIE QLNECKQLSE SQVKSLCEKA KEILTKESNV QEVRCPVTVC DATA SEQUENCE GDVHGQFHDL MELFRIGGKS PDTNYLFMGD YVDRGYYSVE TVTLLVALKV DATA SEQUENCE RYRERITILR GNHESRQITQ VYGFYDECLR KYGNANVWKY FTDLFDYLPL DATA SEQUENCE TALVDGQIFC LHGGLSPSID TLDHIRALDR LQEVPHEGPM CDLLWSDPDD DATA SEQUENCE RGGWGISPRG AGYTFGQDIS ETFNHANGLT LVSRAHQLVM EGYNWCHDRN DATA SEQUENCE VVTIFSAPNY CYRCGNQAAI MELDDTLKYS FLQFDPAP 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 6 F HA 0.000 nan 4.527 nan 0.000 0.279 6 F C 0.000 175.648 175.800 -0.254 0.000 0.967 6 F CA 0.000 57.876 58.000 -0.206 0.000 1.383 6 F CB 0.000 38.894 39.000 -0.176 0.000 1.145 7 T N 0.996 115.427 114.554 -0.205 0.000 2.942 7 T HA -0.028 4.321 4.350 -0.001 0.000 0.265 7 T C 1.713 176.248 174.700 -0.276 0.000 1.062 7 T CA 1.478 63.386 62.100 -0.319 0.000 1.139 7 T CB 0.007 68.752 68.868 -0.205 0.000 0.883 7 T HN 0.164 nan 8.240 nan 0.000 0.468 8 K N 1.056 121.350 120.400 -0.177 0.000 2.148 8 K HA -0.059 4.261 4.320 -0.001 0.000 0.204 8 K C 2.300 178.786 176.600 -0.190 0.000 1.050 8 K CA 0.967 57.170 56.287 -0.140 0.000 0.942 8 K CB 0.014 32.466 32.500 -0.079 0.000 0.724 8 K HN 0.427 nan 8.250 nan 0.000 0.446 9 E N 1.364 121.406 120.200 -0.263 0.000 2.047 9 E HA -0.134 4.215 4.350 -0.001 0.000 0.191 9 E C 2.011 178.184 176.600 -0.711 0.000 0.987 9 E CA 0.649 56.801 56.400 -0.414 0.000 0.799 9 E CB 0.040 29.514 29.700 -0.376 0.000 0.752 9 E HN 0.182 nan 8.360 nan 0.000 0.449 10 L N 1.099 121.855 121.223 -0.778 0.000 2.079 10 L HA -0.236 4.103 4.340 -0.001 0.000 0.210 10 L C 2.041 178.724 176.870 -0.310 0.000 1.081 10 L CA 1.420 55.857 54.840 -0.671 0.000 0.752 10 L CB -0.379 41.281 42.059 -0.666 0.000 0.896 10 L HN 0.245 nan 8.230 nan 0.000 0.433 11 D N -0.829 119.416 120.400 -0.258 0.000 2.117 11 D HA -0.219 4.421 4.640 -0.001 0.000 0.197 11 D C 2.151 178.432 176.300 -0.031 0.000 0.987 11 D CA 0.868 54.798 54.000 -0.117 0.000 0.829 11 D CB -0.122 40.619 40.800 -0.099 0.000 0.961 11 D HN 0.233 nan 8.370 nan 0.000 0.460 12 Q N -0.265 119.511 119.800 -0.040 0.000 1.993 12 Q HA -0.149 4.190 4.340 -0.001 0.000 0.202 12 Q C 2.081 178.210 176.000 0.214 0.000 0.984 12 Q CA 1.206 57.051 55.803 0.071 0.000 0.837 12 Q CB -0.443 28.340 28.738 0.075 0.000 0.902 12 Q HN 0.361 nan 8.270 nan 0.000 0.423 13 W N 0.867 122.167 121.300 0.000 0.000 2.308 13 W HA -0.165 4.495 4.660 -0.001 0.000 0.301 13 W C 2.268 178.796 176.519 0.016 0.000 1.220 13 W CA 0.569 57.922 57.345 0.015 0.000 1.240 13 W CB -0.994 28.472 29.460 0.010 0.000 1.142 13 W HN 0.205 nan 8.180 nan 0.000 0.521 14 I N -0.562 120.142 120.570 0.225 0.000 2.286 14 I HA -0.232 3.937 4.170 -0.001 0.000 0.245 14 I C 2.412 178.595 176.117 0.111 0.000 1.104 14 I CA 1.552 62.935 61.300 0.138 0.000 1.397 14 I CB -0.631 37.416 38.000 0.078 0.000 1.072 14 I HN -0.028 nan 8.210 nan 0.000 0.417 15 E N 1.002 121.259 120.200 0.096 0.000 2.085 15 E HA -0.321 4.029 4.350 -0.001 0.000 0.194 15 E C 2.207 178.860 176.600 0.088 0.000 0.994 15 E CA 1.524 57.971 56.400 0.078 0.000 0.801 15 E CB -0.022 29.716 29.700 0.063 0.000 0.743 15 E HN 0.445 nan 8.360 nan 0.000 0.453 16 Q N 0.292 120.155 119.800 0.105 0.000 2.020 16 Q HA -0.167 4.173 4.340 -0.001 0.000 0.202 16 Q C 2.395 178.435 176.000 0.066 0.000 0.982 16 Q CA 1.526 57.379 55.803 0.084 0.000 0.838 16 Q CB -0.119 28.678 28.738 0.098 0.000 0.899 16 Q HN 0.372 nan 8.270 nan 0.000 0.423 17 L N 1.057 122.335 121.223 0.092 0.000 2.261 17 L HA -0.186 4.153 4.340 -0.001 0.000 0.216 17 L C 1.852 178.813 176.870 0.151 0.000 1.114 17 L CA 0.537 55.431 54.840 0.090 0.000 0.777 17 L CB -0.342 41.796 42.059 0.131 0.000 0.910 17 L HN 0.323 nan 8.230 nan 0.000 0.440 18 N N -0.084 118.713 118.700 0.162 0.000 2.463 18 N HA -0.087 4.653 4.740 -0.001 0.000 0.181 18 N C 0.803 176.442 175.510 0.215 0.000 1.078 18 N CA 0.684 53.875 53.050 0.235 0.000 0.902 18 N CB 0.243 38.812 38.487 0.136 0.000 0.970 18 N HN 0.470 nan 8.380 nan 0.000 0.451 19 E N -0.220 120.037 120.200 0.095 0.000 2.394 19 E HA 0.094 4.443 4.350 -0.001 0.000 0.191 19 E C 0.064 176.620 176.600 -0.073 0.000 1.044 19 E CA -0.287 56.141 56.400 0.047 0.000 0.939 19 E CB -0.066 29.655 29.700 0.035 0.000 1.089 19 E HN 0.148 nan 8.360 nan 0.000 0.456 20 C N 1.297 120.443 119.300 -0.256 0.000 4.265 20 C HA -0.211 4.248 4.460 -0.001 0.000 0.287 20 C C 0.151 174.926 174.990 -0.358 0.000 1.451 20 C CA 0.904 59.497 59.018 -0.709 0.000 1.966 20 C CB -1.848 25.437 27.740 -0.758 0.000 1.302 20 C HN 0.324 nan 8.230 nan 0.000 0.794 21 K N 1.131 121.427 120.400 -0.174 0.000 2.253 21 K HA 0.369 4.688 4.320 -0.001 0.000 0.277 21 K C 0.513 177.073 176.600 -0.067 0.000 1.053 21 K CA -0.081 56.149 56.287 -0.095 0.000 0.892 21 K CB 0.819 33.295 32.500 -0.042 0.000 1.102 21 K HN 0.718 nan 8.250 nan 0.000 0.469 22 Q N 3.367 123.132 119.800 -0.060 0.000 2.432 22 Q HA 0.107 4.447 4.340 -0.001 0.000 0.264 22 Q C -0.436 175.576 176.000 0.020 0.000 1.035 22 Q CA -0.035 55.770 55.803 0.003 0.000 0.908 22 Q CB 0.542 29.273 28.738 -0.011 0.000 1.280 22 Q HN 0.438 nan 8.270 nan 0.000 0.455 23 L N 1.454 122.704 121.223 0.045 0.000 2.454 23 L HA 0.289 4.628 4.340 -0.001 0.000 0.256 23 L C 0.619 177.524 176.870 0.058 0.000 1.136 23 L CA -0.820 53.972 54.840 -0.080 0.000 0.804 23 L CB 1.406 43.285 42.059 -0.301 0.000 1.181 23 L HN 0.927 nan 8.230 nan 0.000 0.469 24 S N -0.982 114.696 115.700 -0.036 0.000 2.601 24 S HA 0.052 4.522 4.470 -0.001 0.000 0.271 24 S C 0.846 175.454 174.600 0.014 0.000 1.305 24 S CA -0.510 57.736 58.200 0.076 0.000 1.022 24 S CB 1.379 64.590 63.200 0.018 0.000 0.940 24 S HN 0.758 nan 8.310 nan 0.000 0.525 25 E N 1.671 121.900 120.200 0.049 0.000 2.136 25 E HA -0.258 4.092 4.350 -0.001 0.000 0.202 25 E C 1.981 178.560 176.600 -0.036 0.000 1.019 25 E CA 1.683 58.013 56.400 -0.117 0.000 0.819 25 E CB -0.403 29.272 29.700 -0.042 0.000 0.739 25 E HN 0.788 nan 8.360 nan 0.000 0.458 26 S N 0.079 115.768 115.700 -0.019 0.000 2.377 26 S HA -0.304 4.166 4.470 -0.001 0.000 0.224 26 S C 1.978 176.525 174.600 -0.087 0.000 1.042 26 S CA 2.135 60.318 58.200 -0.028 0.000 1.086 26 S CB -0.289 62.910 63.200 -0.003 0.000 0.995 26 S HN 0.427 nan 8.310 nan 0.000 0.428 27 Q N -0.126 119.575 119.800 -0.165 0.000 2.119 27 Q HA 0.019 4.359 4.340 -0.001 0.000 0.201 27 Q C 2.357 178.105 176.000 -0.420 0.000 0.972 27 Q CA 1.401 56.990 55.803 -0.357 0.000 0.847 27 Q CB -0.311 27.917 28.738 -0.849 0.000 0.903 27 Q HN 0.460 nan 8.270 nan 0.000 0.433 28 V N 1.543 121.260 119.914 -0.328 0.000 2.407 28 V HA -0.272 3.847 4.120 -0.001 0.000 0.248 28 V C 2.315 178.232 176.094 -0.294 0.000 1.055 28 V CA 1.740 63.865 62.300 -0.292 0.000 1.049 28 V CB -0.477 31.215 31.823 -0.219 0.000 0.662 28 V HN 0.330 nan 8.190 nan 0.000 0.455 29 K N -0.404 119.837 120.400 -0.265 0.000 2.057 29 K HA -0.180 4.139 4.320 -0.001 0.000 0.207 29 K C 2.464 178.824 176.600 -0.401 0.000 1.049 29 K CA 1.834 57.748 56.287 -0.622 0.000 0.931 29 K CB -0.217 31.855 32.500 -0.714 0.000 0.714 29 K HN 0.408 nan 8.250 nan 0.000 0.440 30 S N 1.163 116.748 115.700 -0.192 0.000 2.343 30 S HA -0.156 4.314 4.470 -0.001 0.000 0.219 30 S C 1.852 176.496 174.600 0.074 0.000 1.033 30 S CA 1.322 59.510 58.200 -0.020 0.000 1.014 30 S CB -0.371 62.939 63.200 0.183 0.000 0.915 30 S HN 0.348 nan 8.310 nan 0.000 0.435 31 L N 1.260 122.583 121.223 0.166 0.000 2.051 31 L HA -0.160 4.180 4.340 -0.001 0.000 0.214 31 L C 2.372 179.243 176.870 0.002 0.000 1.076 31 L CA 1.859 56.836 54.840 0.228 0.000 0.758 31 L CB -0.956 41.210 42.059 0.179 0.000 0.890 31 L HN 0.405 nan 8.230 nan 0.000 0.433 32 C N -0.299 118.895 119.300 -0.178 0.000 2.435 32 C HA -0.106 4.353 4.460 -0.001 0.000 0.279 32 C C 2.548 177.411 174.990 -0.212 0.000 1.321 32 C CA 1.021 59.885 59.018 -0.258 0.000 1.752 32 C CB -0.928 26.559 27.740 -0.420 0.000 1.959 32 C HN 0.630 nan 8.230 nan 0.000 0.500 33 E N 0.428 120.512 120.200 -0.194 0.000 2.076 33 E HA -0.176 4.173 4.350 -0.001 0.000 0.190 33 E C 2.095 178.620 176.600 -0.124 0.000 0.979 33 E CA 0.805 57.096 56.400 -0.182 0.000 0.807 33 E CB -0.107 29.489 29.700 -0.173 0.000 0.761 33 E HN 0.341 nan 8.360 nan 0.000 0.454 34 K N 1.469 121.843 120.400 -0.044 0.000 2.097 34 K HA -0.040 4.280 4.320 -0.001 0.000 0.205 34 K C 1.832 178.418 176.600 -0.023 0.000 1.050 34 K CA 1.334 57.627 56.287 0.011 0.000 0.938 34 K CB -0.391 32.194 32.500 0.141 0.000 0.718 34 K HN 0.093 nan 8.250 nan 0.000 0.442 35 A N 0.536 123.335 122.820 -0.035 0.000 2.019 35 A HA -0.141 4.179 4.320 -0.001 0.000 0.219 35 A C 2.041 179.570 177.584 -0.092 0.000 1.164 35 A CA 1.599 53.616 52.037 -0.034 0.000 0.644 35 A CB -0.386 18.606 19.000 -0.013 0.000 0.805 35 A HN 0.332 nan 8.150 nan 0.000 0.449 36 K N -0.423 119.854 120.400 -0.204 0.000 2.025 36 K HA -0.131 4.188 4.320 -0.001 0.000 0.207 36 K C 1.988 178.415 176.600 -0.288 0.000 1.049 36 K CA 1.493 57.519 56.287 -0.435 0.000 0.933 36 K CB -0.149 31.980 32.500 -0.618 0.000 0.714 36 K HN 0.612 nan 8.250 nan 0.000 0.438 37 E N 0.532 120.634 120.200 -0.163 0.000 2.070 37 E HA -0.230 4.120 4.350 -0.001 0.000 0.197 37 E C 1.994 178.581 176.600 -0.021 0.000 1.004 37 E CA 1.546 57.903 56.400 -0.072 0.000 0.805 37 E CB -0.128 29.547 29.700 -0.040 0.000 0.744 37 E HN 0.297 nan 8.360 nan 0.000 0.451 38 I N 0.719 121.281 120.570 -0.013 0.000 2.202 38 I HA -0.259 3.911 4.170 -0.001 0.000 0.242 38 I C 2.271 178.419 176.117 0.052 0.000 1.091 38 I CA 0.947 62.260 61.300 0.021 0.000 1.368 38 I CB -0.188 37.824 38.000 0.021 0.000 1.058 38 I HN 0.102 nan 8.210 nan 0.000 0.410 39 L N 0.327 121.584 121.223 0.057 0.000 2.456 39 L HA -0.137 4.203 4.340 -0.001 0.000 0.224 39 L C 2.429 179.414 176.870 0.191 0.000 1.148 39 L CA 0.971 55.887 54.840 0.127 0.000 0.825 39 L CB -0.841 41.315 42.059 0.161 0.000 0.937 39 L HN 0.344 nan 8.230 nan 0.000 0.450 40 T N -0.993 113.668 114.554 0.178 0.000 2.812 40 T HA -0.147 4.202 4.350 -0.001 0.000 0.264 40 T C 1.751 176.542 174.700 0.151 0.000 1.042 40 T CA 0.942 63.188 62.100 0.244 0.000 1.140 40 T CB -0.083 68.910 68.868 0.209 0.000 0.870 40 T HN 0.311 nan 8.240 nan 0.000 0.445 41 K N 1.182 121.646 120.400 0.107 0.000 2.442 41 K HA 0.058 4.378 4.320 -0.001 0.000 0.198 41 K C 0.690 177.341 176.600 0.085 0.000 1.042 41 K CA 0.549 56.886 56.287 0.083 0.000 0.958 41 K CB 0.066 32.604 32.500 0.063 0.000 0.766 41 K HN 0.516 nan 8.250 nan 0.000 0.474 42 E N 1.296 121.557 120.200 0.101 0.000 2.331 42 E HA 0.065 4.415 4.350 -0.001 0.000 0.272 42 E C -0.402 176.257 176.600 0.099 0.000 1.036 42 E CA -0.300 56.159 56.400 0.099 0.000 0.864 42 E CB 1.399 31.165 29.700 0.110 0.000 1.035 42 E HN -0.039 nan 8.360 nan 0.000 0.408 43 S N 1.912 117.667 115.700 0.092 0.000 2.593 43 S HA 0.030 4.499 4.470 -0.001 0.000 0.269 43 S C 0.896 175.558 174.600 0.103 0.000 1.334 43 S CA -0.510 57.745 58.200 0.090 0.000 1.015 43 S CB 0.523 63.774 63.200 0.084 0.000 0.912 43 S HN 0.423 nan 8.310 nan 0.000 0.541 44 N N 1.225 119.986 118.700 0.101 0.000 2.453 44 N HA 0.008 4.748 4.740 -0.001 0.000 0.183 44 N C -0.249 175.348 175.510 0.146 0.000 1.041 44 N CA 0.575 53.694 53.050 0.114 0.000 0.900 44 N CB -0.091 38.461 38.487 0.108 0.000 0.961 44 N HN 0.329 nan 8.380 nan 0.000 0.443 45 V N 1.400 121.399 119.914 0.143 0.000 2.383 45 V HA 0.144 4.264 4.120 -0.001 0.000 0.261 45 V C -0.204 175.975 176.094 0.143 0.000 0.987 45 V CA -0.800 61.609 62.300 0.180 0.000 0.853 45 V CB 1.012 32.939 31.823 0.174 0.000 1.095 45 V HN -0.006 nan 8.190 nan 0.000 0.461 46 Q N 3.230 123.110 119.800 0.134 0.000 2.274 46 Q HA 0.072 4.412 4.340 -0.001 0.000 0.280 46 Q C 0.247 176.310 176.000 0.106 0.000 1.047 46 Q CA 0.789 56.659 55.803 0.112 0.000 0.907 46 Q CB 0.516 29.320 28.738 0.110 0.000 1.171 46 Q HN 0.639 nan 8.270 nan 0.000 0.381 47 E N 3.104 123.356 120.200 0.087 0.000 2.290 47 E HA 0.231 4.581 4.350 -0.001 0.000 0.277 47 E C -0.899 175.743 176.600 0.069 0.000 1.035 47 E CA -0.306 56.140 56.400 0.076 0.000 0.873 47 E CB 1.113 30.849 29.700 0.060 0.000 1.029 47 E HN 0.322 nan 8.360 nan 0.000 0.419 48 V N 4.588 124.542 119.914 0.066 0.000 2.482 48 V HA 0.240 4.360 4.120 -0.001 0.000 0.295 48 V C -0.009 176.108 176.094 0.039 0.000 1.026 48 V CA -0.913 61.419 62.300 0.053 0.000 0.856 48 V CB 1.533 33.389 31.823 0.054 0.000 1.001 48 V HN 0.613 nan 8.190 nan 0.000 0.424 49 R N 3.096 123.612 120.500 0.027 0.000 2.457 49 R HA 0.699 5.039 4.340 -0.001 0.000 0.284 49 R C 0.200 176.500 176.300 0.001 0.000 1.024 49 R CA -0.579 55.531 56.100 0.016 0.000 1.025 49 R CB 0.809 31.116 30.300 0.013 0.000 1.063 49 R HN 0.734 nan 8.270 nan 0.000 0.493 50 C N 0.792 120.090 119.300 -0.004 0.000 2.563 50 C HA 0.568 5.028 4.460 -0.001 0.000 0.358 50 C C -1.572 173.399 174.990 -0.030 0.000 1.336 50 C CA -1.684 57.321 59.018 -0.022 0.000 2.454 50 C CB 0.235 27.964 27.740 -0.018 0.000 2.448 50 C HN 0.735 nan 8.230 nan 0.000 0.670 51 P HA 0.460 nan 4.420 nan 0.000 0.274 51 P C -0.777 176.469 177.300 -0.090 0.000 1.231 51 P CA 0.245 63.304 63.100 -0.069 0.000 0.790 51 P CB 1.212 32.864 31.700 -0.080 0.000 0.951 52 V N 1.236 121.084 119.914 -0.110 0.000 2.971 52 V HA 0.237 4.357 4.120 -0.001 0.000 0.281 52 V C -1.088 174.906 176.094 -0.168 0.000 1.470 52 V CA -0.354 61.861 62.300 -0.143 0.000 0.966 52 V CB 2.296 34.070 31.823 -0.083 0.000 1.156 52 V HN 0.631 nan 8.190 nan 0.000 0.441 53 T N 5.648 120.051 114.554 -0.251 0.000 2.743 53 T HA 0.542 4.892 4.350 -0.001 0.000 0.293 53 T C -0.262 174.361 174.700 -0.128 0.000 0.945 53 T CA -0.239 61.738 62.100 -0.206 0.000 1.030 53 T CB 1.266 69.975 68.868 -0.265 0.000 0.912 53 T HN 0.606 nan 8.240 nan 0.000 0.483 54 V N 3.640 123.480 119.914 -0.125 0.000 2.432 54 V HA 0.300 4.419 4.120 -0.001 0.000 0.275 54 V C 0.248 176.263 176.094 -0.132 0.000 1.043 54 V CA -0.621 61.606 62.300 -0.122 0.000 0.925 54 V CB 0.533 32.300 31.823 -0.093 0.000 0.985 54 V HN 1.046 nan 8.190 nan 0.000 0.466 55 C N 3.859 123.036 119.300 -0.205 0.000 2.614 55 C HA 0.906 5.365 4.460 -0.001 0.000 0.320 55 C C 1.005 175.965 174.990 -0.050 0.000 1.200 55 C CA -0.490 58.426 59.018 -0.170 0.000 1.700 55 C CB 1.202 28.695 27.740 -0.411 0.000 2.275 55 C HN 1.031 nan 8.230 nan 0.000 0.492 56 G N 0.364 109.153 108.800 -0.019 0.000 2.857 56 G HA2 0.511 4.471 3.960 -0.001 0.000 0.217 56 G HA3 0.511 4.471 3.960 -0.001 0.000 0.217 56 G C -1.024 173.824 174.900 -0.088 0.000 1.357 56 G CA -0.325 44.764 45.100 -0.018 0.000 1.033 56 G HN 0.725 nan 8.290 nan 0.000 0.571 57 D N -1.230 119.044 120.400 -0.209 0.000 2.667 57 D HA 0.134 4.774 4.640 -0.001 0.000 0.226 57 D C 0.879 176.901 176.300 -0.462 0.000 1.137 57 D CA 0.284 54.020 54.000 -0.441 0.000 0.855 57 D CB 1.724 42.152 40.800 -0.619 0.000 1.194 57 D HN 0.009 nan 8.370 nan 0.000 0.492 58 V N 1.958 121.639 119.914 -0.388 0.000 3.058 58 V HA -0.034 4.086 4.120 -0.001 0.000 0.233 58 V C 0.162 176.189 176.094 -0.112 0.000 1.255 58 V CA 0.082 62.256 62.300 -0.210 0.000 1.267 58 V CB -0.209 31.553 31.823 -0.101 0.000 1.049 58 V HN 0.737 nan 8.190 nan 0.000 0.486 59 H N 0.422 119.394 119.070 -0.164 0.000 2.677 59 H HA -0.183 4.373 4.556 -0.001 0.000 0.321 59 H C 1.529 176.850 175.328 -0.012 0.000 1.171 59 H CA 1.128 57.107 56.048 -0.115 0.000 1.139 59 H CB -1.438 28.294 29.762 -0.050 0.000 1.515 59 H HN 0.813 nan 8.280 nan 0.000 0.423 60 G N 0.702 109.566 108.800 0.106 0.000 2.186 60 G HA2 -0.388 3.572 3.960 -0.001 0.000 0.266 60 G HA3 -0.388 3.572 3.960 -0.001 0.000 0.266 60 G C 0.605 175.696 174.900 0.319 0.000 0.982 60 G CA 0.745 45.963 45.100 0.197 0.000 0.670 60 G HN 0.621 nan 8.290 nan 0.000 0.533 61 Q N -0.443 119.504 119.800 0.244 0.000 3.254 61 Q HA 0.393 4.733 4.340 -0.001 0.000 0.315 61 Q C 1.403 177.541 176.000 0.231 0.000 1.405 61 Q CA -0.538 55.462 55.803 0.328 0.000 0.966 61 Q CB -0.295 28.572 28.738 0.215 0.000 1.706 61 Q HN 0.544 nan 8.270 nan 0.000 0.525 62 F N 0.944 120.945 119.950 0.086 0.000 2.063 62 F HA -0.373 4.153 4.527 -0.001 0.000 0.297 62 F C 1.484 177.106 175.800 -0.297 0.000 1.099 62 F CA 2.280 60.157 58.000 -0.205 0.000 1.220 62 F CB 0.052 38.745 39.000 -0.512 0.000 0.972 62 F HN 0.528 nan 8.300 nan 0.000 0.487 63 H N -0.770 118.359 119.070 0.098 0.000 2.521 63 H HA -0.108 4.448 4.556 -0.001 0.000 0.286 63 H C 1.782 177.093 175.328 -0.028 0.000 1.034 63 H CA 1.301 57.362 56.048 0.022 0.000 1.278 63 H CB -0.275 29.569 29.762 0.137 0.000 1.386 63 H HN 0.363 nan 8.280 nan 0.000 0.567 64 D N 0.094 120.543 120.400 0.081 0.000 2.183 64 D HA -0.089 4.550 4.640 -0.001 0.000 0.205 64 D C 2.120 178.382 176.300 -0.064 0.000 0.962 64 D CA 0.332 54.394 54.000 0.105 0.000 0.849 64 D CB -0.102 40.806 40.800 0.181 0.000 0.978 64 D HN 0.238 nan 8.370 nan 0.000 0.488 65 L N 0.919 122.006 121.223 -0.227 0.000 2.083 65 L HA -0.121 4.218 4.340 -0.001 0.000 0.209 65 L C 2.013 178.576 176.870 -0.510 0.000 1.083 65 L CA 1.439 56.029 54.840 -0.417 0.000 0.752 65 L CB -0.458 41.316 42.059 -0.476 0.000 0.899 65 L HN -0.114 nan 8.230 nan 0.000 0.433 66 M N -0.757 118.585 119.600 -0.430 0.000 2.175 66 M HA -0.159 4.320 4.480 -0.001 0.000 0.264 66 M C 2.209 178.427 176.300 -0.136 0.000 1.063 66 M CA 1.490 56.657 55.300 -0.222 0.000 1.119 66 M CB -1.101 31.376 32.600 -0.205 0.000 1.377 66 M HN 0.384 nan 8.290 nan 0.000 0.415 67 E N 0.814 120.921 120.200 -0.154 0.000 2.204 67 E HA -0.103 4.246 4.350 -0.001 0.000 0.194 67 E C 1.997 178.342 176.600 -0.426 0.000 0.989 67 E CA 0.694 56.990 56.400 -0.173 0.000 0.824 67 E CB -0.256 29.412 29.700 -0.053 0.000 0.756 67 E HN 0.485 nan 8.360 nan 0.000 0.477 68 L N -0.599 120.298 121.223 -0.543 0.000 2.005 68 L HA -0.123 4.217 4.340 -0.001 0.000 0.207 68 L C 1.767 178.371 176.870 -0.444 0.000 1.072 68 L CA 1.277 55.685 54.840 -0.721 0.000 0.744 68 L CB -0.276 41.404 42.059 -0.631 0.000 0.895 68 L HN 0.147 nan 8.230 nan 0.000 0.433 69 F N 0.277 120.106 119.950 -0.202 0.000 2.250 69 F HA -0.166 4.360 4.527 -0.001 0.000 0.301 69 F C 2.660 178.415 175.800 -0.076 0.000 1.077 69 F CA 1.079 59.021 58.000 -0.097 0.000 1.348 69 F CB -0.675 38.268 39.000 -0.095 0.000 1.040 69 F HN 0.029 nan 8.300 nan 0.000 0.509 70 R N -0.162 120.354 120.500 0.028 0.000 2.115 70 R HA -0.087 4.252 4.340 -0.001 0.000 0.230 70 R C 2.119 178.397 176.300 -0.037 0.000 1.111 70 R CA 1.258 57.356 56.100 -0.004 0.000 0.976 70 R CB -0.334 29.945 30.300 -0.036 0.000 0.870 70 R HN 0.314 nan 8.270 nan 0.000 0.445 71 I N -1.474 119.025 120.570 -0.118 0.000 2.703 71 I HA -0.013 4.156 4.170 -0.001 0.000 0.259 71 I C 1.934 178.025 176.117 -0.042 0.000 1.151 71 I CA 0.837 62.068 61.300 -0.115 0.000 1.470 71 I CB 0.256 38.102 38.000 -0.257 0.000 1.112 71 I HN 0.191 nan 8.210 nan 0.000 0.437 72 G N 0.121 108.932 108.800 0.019 0.000 3.159 72 G HA2 0.476 4.436 3.960 -0.001 0.000 0.232 72 G HA3 0.476 4.436 3.960 -0.001 0.000 0.232 72 G C 0.606 175.573 174.900 0.111 0.000 1.116 72 G CA 0.374 45.522 45.100 0.080 0.000 0.767 72 G HN 0.502 nan 8.290 nan 0.000 0.547 73 G N 0.096 108.986 108.800 0.149 0.000 2.650 73 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.686 73 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.686 73 G C -0.508 174.519 174.900 0.212 0.000 1.205 73 G CA -0.953 44.215 45.100 0.113 0.000 0.781 73 G HN 0.381 nan 8.290 nan 0.000 0.648 74 K N 0.252 120.695 120.400 0.072 0.000 2.237 74 K HA 0.511 4.831 4.320 -0.001 0.000 0.270 74 K C 0.821 177.384 176.600 -0.061 0.000 1.015 74 K CA 0.008 56.276 56.287 -0.031 0.000 0.949 74 K CB 1.331 33.780 32.500 -0.086 0.000 0.976 74 K HN 0.580 nan 8.250 nan 0.000 0.472 75 S N 2.016 117.600 115.700 -0.194 0.000 2.580 75 S HA 0.196 4.665 4.470 -0.001 0.000 0.274 75 S C -1.622 172.799 174.600 -0.298 0.000 1.329 75 S CA -1.330 56.769 58.200 -0.167 0.000 1.036 75 S CB 0.506 63.605 63.200 -0.169 0.000 0.919 75 S HN 0.482 nan 8.310 nan 0.000 0.515 76 P HA 0.261 nan 4.420 nan 0.000 0.263 76 P C -0.138 176.982 177.300 -0.301 0.000 1.448 76 P CA -0.143 62.630 63.100 -0.546 0.000 0.983 76 P CB 0.254 31.227 31.700 -1.212 0.000 1.481 77 D N 0.138 120.413 120.400 -0.208 0.000 2.178 77 D HA -0.031 4.609 4.640 -0.001 0.000 0.202 77 D C 0.465 176.676 176.300 -0.149 0.000 0.974 77 D CA 1.226 55.137 54.000 -0.149 0.000 0.841 77 D CB -0.060 40.676 40.800 -0.107 0.000 0.953 77 D HN 0.159 nan 8.370 nan 0.000 0.478 78 T N 1.857 116.312 114.554 -0.164 0.000 2.794 78 T HA 0.227 4.577 4.350 -0.001 0.000 0.280 78 T C 0.082 174.566 174.700 -0.360 0.000 0.987 78 T CA -0.732 61.203 62.100 -0.276 0.000 0.993 78 T CB 1.390 70.058 68.868 -0.334 0.000 0.939 78 T HN -0.088 nan 8.240 nan 0.000 0.449 79 N N 2.404 120.884 118.700 -0.368 0.000 2.499 79 N HA 0.346 5.085 4.740 -0.001 0.000 0.281 79 N C -1.188 174.080 175.510 -0.403 0.000 1.098 79 N CA -0.092 52.804 53.050 -0.258 0.000 0.979 79 N CB 1.078 39.477 38.487 -0.146 0.000 1.121 79 N HN 0.502 nan 8.380 nan 0.000 0.466 80 Y N 0.403 120.695 120.300 -0.014 0.000 2.570 80 Y HA 0.552 5.102 4.550 -0.001 0.000 0.345 80 Y C -0.335 175.507 175.900 -0.096 0.000 1.014 80 Y CA -1.000 57.037 58.100 -0.104 0.000 1.063 80 Y CB 1.827 40.248 38.460 -0.065 0.000 1.272 80 Y HN 0.303 nan 8.280 nan 0.000 0.477 81 L N 2.946 124.132 121.223 -0.062 0.000 2.491 81 L HA 0.612 4.952 4.340 -0.001 0.000 0.267 81 L C -2.169 174.597 176.870 -0.175 0.000 0.971 81 L CA -0.366 54.462 54.840 -0.018 0.000 0.857 81 L CB 0.431 42.486 42.059 -0.006 0.000 1.226 81 L HN 0.393 nan 8.230 nan 0.000 0.408 82 F N 4.794 124.824 119.950 0.133 0.000 2.422 82 F HA 0.480 5.007 4.527 -0.001 0.000 0.333 82 F C 1.025 176.894 175.800 0.115 0.000 1.095 82 F CA -0.604 57.476 58.000 0.134 0.000 1.038 82 F CB 1.814 40.956 39.000 0.236 0.000 1.156 82 F HN 0.381 nan 8.300 nan 0.000 0.483 83 M N 2.653 122.365 119.600 0.187 0.000 2.626 83 M HA 0.329 4.808 4.480 -0.001 0.000 0.262 83 M C 0.621 176.908 176.300 -0.021 0.000 1.256 83 M CA -0.048 55.303 55.300 0.086 0.000 0.981 83 M CB -0.551 32.078 32.600 0.048 0.000 1.492 83 M HN 0.882 nan 8.290 nan 0.000 0.474 84 G N 0.696 109.355 108.800 -0.235 0.000 2.728 84 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.294 84 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.294 84 G C -0.472 173.733 174.900 -1.158 0.000 1.342 84 G CA -0.489 44.044 45.100 -0.946 0.000 0.866 84 G HN 0.507 nan 8.290 nan 0.000 0.534 85 D N -2.172 117.443 120.400 -1.308 0.000 2.760 85 D HA -0.135 4.505 4.640 -0.001 0.000 0.244 85 D C 0.716 176.394 176.300 -1.037 0.000 1.096 85 D CA 1.577 54.939 54.000 -1.063 0.000 0.716 85 D CB -1.345 38.906 40.800 -0.914 0.000 1.075 85 D HN 0.720 nan 8.370 nan 0.000 0.434 86 Y N -1.467 118.525 120.300 -0.513 0.000 2.475 86 Y HA 0.144 4.693 4.550 -0.001 0.000 0.289 86 Y C 1.733 177.422 175.900 -0.352 0.000 1.121 86 Y CA 0.612 58.462 58.100 -0.416 0.000 1.257 86 Y CB -0.044 38.188 38.460 -0.379 0.000 1.026 86 Y HN 0.242 nan 8.280 nan 0.000 0.555 87 V N -3.754 115.993 119.914 -0.278 0.000 3.229 87 V HA 0.608 4.728 4.120 -0.001 0.000 0.310 87 V C -0.612 175.509 176.094 0.043 0.000 1.206 87 V CA -1.391 60.806 62.300 -0.172 0.000 1.051 87 V CB 1.584 33.136 31.823 -0.451 0.000 1.183 87 V HN 0.118 nan 8.190 nan 0.000 0.466 88 D N -0.392 120.114 120.400 0.176 0.000 10.788 88 D HA -0.100 4.539 4.640 -0.001 0.000 0.346 88 D C 0.823 177.186 176.300 0.104 0.000 3.133 88 D CA 0.807 54.937 54.000 0.216 0.000 2.671 88 D CB -0.165 40.748 40.800 0.188 0.000 1.209 88 D HN 0.955 nan 8.370 nan 0.000 0.941 89 R N -1.562 118.977 120.500 0.065 0.000 1.706 89 R HA -0.196 4.144 4.340 -0.001 0.000 0.091 89 R C 1.164 177.457 176.300 -0.012 0.000 0.932 89 R CA 2.369 58.422 56.100 -0.078 0.000 1.944 89 R CB -2.149 27.926 30.300 -0.375 0.000 0.506 89 R HN 0.754 nan 8.270 nan 0.000 0.707 90 G N -0.915 107.922 108.800 0.063 0.000 2.667 90 G HA2 0.142 4.102 3.960 -0.001 0.000 0.250 90 G HA3 0.142 4.102 3.960 -0.001 0.000 0.250 90 G C 0.323 175.425 174.900 0.337 0.000 1.212 90 G CA 0.287 45.498 45.100 0.185 0.000 0.874 90 G HN 0.337 nan 8.290 nan 0.000 0.561 91 Y N -0.543 119.913 120.300 0.261 0.000 2.517 91 Y HA 0.208 4.757 4.550 -0.001 0.000 0.281 91 Y C 0.456 176.152 175.900 -0.340 0.000 1.125 91 Y CA -0.060 57.987 58.100 -0.089 0.000 1.283 91 Y CB 0.222 38.516 38.460 -0.277 0.000 1.042 91 Y HN 0.433 nan 8.280 nan 0.000 0.547 92 Y N -1.062 119.350 120.300 0.186 0.000 2.525 92 Y HA 0.301 4.850 4.550 -0.001 0.000 0.365 92 Y C 1.586 177.551 175.900 0.108 0.000 0.929 92 Y CA -0.433 57.705 58.100 0.064 0.000 1.196 92 Y CB 0.311 38.812 38.460 0.070 0.000 1.232 92 Y HN -0.179 nan 8.280 nan 0.000 0.613 93 S N -0.376 115.460 115.700 0.226 0.000 2.382 93 S HA -0.143 4.327 4.470 -0.001 0.000 0.228 93 S C 2.089 176.790 174.600 0.169 0.000 1.027 93 S CA 1.376 59.690 58.200 0.191 0.000 0.991 93 S CB -0.071 63.313 63.200 0.306 0.000 0.823 93 S HN 0.450 nan 8.310 nan 0.000 0.469 94 V N 1.505 121.582 119.914 0.271 0.000 2.307 94 V HA -0.149 3.971 4.120 -0.001 0.000 0.245 94 V C 2.274 178.456 176.094 0.146 0.000 1.045 94 V CA 1.759 64.217 62.300 0.263 0.000 1.024 94 V CB -0.677 31.320 31.823 0.290 0.000 0.651 94 V HN 0.376 nan 8.190 nan 0.000 0.449 95 E N 0.049 120.323 120.200 0.124 0.000 2.072 95 E HA -0.131 4.218 4.350 -0.001 0.000 0.191 95 E C 2.289 178.994 176.600 0.174 0.000 0.985 95 E CA 1.682 58.121 56.400 0.066 0.000 0.801 95 E CB -0.638 28.944 29.700 -0.197 0.000 0.750 95 E HN 0.542 nan 8.360 nan 0.000 0.452 96 T N 0.395 115.086 114.554 0.228 0.000 2.622 96 T HA -0.170 4.180 4.350 -0.001 0.000 0.266 96 T C 1.988 176.675 174.700 -0.022 0.000 1.047 96 T CA 1.411 63.609 62.100 0.163 0.000 1.159 96 T CB -0.588 68.353 68.868 0.121 0.000 0.863 96 T HN 0.036 nan 8.240 nan 0.000 0.422 97 V N 1.194 121.046 119.914 -0.105 0.000 2.407 97 V HA -0.194 3.925 4.120 -0.001 0.000 0.248 97 V C 2.504 178.532 176.094 -0.111 0.000 1.055 97 V CA 2.335 64.502 62.300 -0.222 0.000 1.049 97 V CB -0.891 30.700 31.823 -0.387 0.000 0.662 97 V HN 0.613 nan 8.190 nan 0.000 0.455 98 T N 0.462 115.014 114.554 -0.002 0.000 2.857 98 T HA -0.130 4.220 4.350 -0.001 0.000 0.266 98 T C 1.754 176.533 174.700 0.132 0.000 1.048 98 T CA 1.609 63.830 62.100 0.201 0.000 1.139 98 T CB -0.289 68.744 68.868 0.275 0.000 0.874 98 T HN 0.392 nan 8.240 nan 0.000 0.455 99 L N 1.254 122.537 121.223 0.101 0.000 2.012 99 L HA 0.005 4.345 4.340 -0.001 0.000 0.210 99 L C 2.125 179.007 176.870 0.020 0.000 1.073 99 L CA 1.646 56.545 54.840 0.099 0.000 0.748 99 L CB -0.844 41.310 42.059 0.158 0.000 0.891 99 L HN 0.238 nan 8.230 nan 0.000 0.431 100 L N -1.682 119.482 121.223 -0.098 0.000 2.017 100 L HA -0.211 4.128 4.340 -0.001 0.000 0.208 100 L C 2.440 179.233 176.870 -0.129 0.000 1.073 100 L CA 1.181 55.878 54.840 -0.239 0.000 0.745 100 L CB -0.695 41.004 42.059 -0.600 0.000 0.894 100 L HN 0.120 nan 8.230 nan 0.000 0.432 101 V N -0.015 119.870 119.914 -0.048 0.000 2.515 101 V HA -0.235 3.885 4.120 -0.001 0.000 0.250 101 V C 2.653 178.794 176.094 0.078 0.000 1.058 101 V CA 1.643 63.975 62.300 0.054 0.000 1.064 101 V CB -0.676 31.267 31.823 0.201 0.000 0.675 101 V HN 0.471 nan 8.190 nan 0.000 0.461 102 A N -0.651 122.229 122.820 0.101 0.000 2.014 102 A HA -0.050 4.269 4.320 -0.001 0.000 0.218 102 A C 2.181 179.799 177.584 0.055 0.000 1.163 102 A CA 1.225 53.335 52.037 0.121 0.000 0.652 102 A CB -0.347 18.764 19.000 0.184 0.000 0.808 102 A HN 0.495 nan 8.150 nan 0.000 0.449 103 L N -1.051 120.206 121.223 0.056 0.000 2.109 103 L HA -0.120 4.220 4.340 -0.001 0.000 0.207 103 L C 2.552 179.487 176.870 0.109 0.000 1.086 103 L CA 1.592 56.489 54.840 0.096 0.000 0.760 103 L CB -0.268 41.852 42.059 0.101 0.000 0.910 103 L HN 0.336 nan 8.230 nan 0.000 0.437 104 K N 0.199 120.642 120.400 0.072 0.000 2.097 104 K HA -0.113 4.206 4.320 -0.001 0.000 0.205 104 K C 1.745 178.365 176.600 0.034 0.000 1.050 104 K CA 1.388 57.721 56.287 0.078 0.000 0.938 104 K CB -0.267 32.272 32.500 0.065 0.000 0.718 104 K HN 0.047 nan 8.250 nan 0.000 0.442 105 V N 0.597 120.506 119.914 -0.009 0.000 2.488 105 V HA -0.088 4.032 4.120 -0.001 0.000 0.246 105 V C 2.384 178.370 176.094 -0.180 0.000 1.046 105 V CA 1.771 64.031 62.300 -0.067 0.000 1.053 105 V CB -0.439 31.353 31.823 -0.052 0.000 0.679 105 V HN 0.287 nan 8.190 nan 0.000 0.458 106 R N -0.033 120.308 120.500 -0.264 0.000 2.119 106 R HA -0.055 4.285 4.340 -0.001 0.000 0.222 106 R C 0.104 176.011 176.300 -0.655 0.000 1.088 106 R CA 1.282 57.054 56.100 -0.546 0.000 0.984 106 R CB -0.154 29.719 30.300 -0.712 0.000 0.884 106 R HN 0.513 nan 8.270 nan 0.000 0.447 107 Y N 0.253 120.533 120.300 -0.034 0.000 2.511 107 Y HA 0.394 4.944 4.550 -0.001 0.000 0.356 107 Y C 0.542 176.451 175.900 0.015 0.000 1.002 107 Y CA -0.911 57.182 58.100 -0.011 0.000 1.127 107 Y CB 0.679 39.139 38.460 0.000 0.000 1.137 107 Y HN -0.106 nan 8.280 nan 0.000 0.652 108 R N -0.012 120.553 120.500 0.109 0.000 2.119 108 R HA -0.187 4.153 4.340 -0.001 0.000 0.246 108 R C 0.916 177.279 176.300 0.105 0.000 1.146 108 R CA 1.862 58.017 56.100 0.091 0.000 0.962 108 R CB 0.077 30.410 30.300 0.055 0.000 0.863 108 R HN 0.405 nan 8.270 nan 0.000 0.442 109 E N 0.104 120.366 120.200 0.104 0.000 2.435 109 E HA -0.026 4.323 4.350 -0.001 0.000 0.195 109 E C 1.732 178.377 176.600 0.075 0.000 1.029 109 E CA 0.431 56.879 56.400 0.080 0.000 0.865 109 E CB 0.152 29.887 29.700 0.060 0.000 0.833 109 E HN 0.268 nan 8.360 nan 0.000 0.510 110 R N 0.320 120.882 120.500 0.103 0.000 2.265 110 R HA 0.287 4.626 4.340 -0.001 0.000 0.194 110 R C 1.112 177.489 176.300 0.128 0.000 0.931 110 R CA 0.257 56.395 56.100 0.063 0.000 1.032 110 R CB 0.659 30.948 30.300 -0.019 0.000 0.980 110 R HN 0.162 nan 8.270 nan 0.000 0.497 111 I N 0.212 120.891 120.570 0.181 0.000 2.730 111 I HA 0.380 4.549 4.170 -0.001 0.000 0.298 111 I C -0.824 175.418 176.117 0.209 0.000 1.089 111 I CA -0.849 60.599 61.300 0.248 0.000 1.041 111 I CB 2.540 40.717 38.000 0.295 0.000 1.235 111 I HN -0.272 nan 8.210 nan 0.000 0.423 112 T N 5.552 120.251 114.554 0.241 0.000 2.879 112 T HA 0.609 4.958 4.350 -0.001 0.000 0.290 112 T C -0.384 174.479 174.700 0.272 0.000 0.993 112 T CA -0.434 61.788 62.100 0.203 0.000 0.975 112 T CB 1.704 70.662 68.868 0.150 0.000 0.981 112 T HN 0.564 nan 8.240 nan 0.000 0.439 113 I N 1.533 122.243 120.570 0.233 0.000 2.389 113 I HA 0.621 4.791 4.170 -0.001 0.000 0.288 113 I C -0.515 175.760 176.117 0.263 0.000 0.999 113 I CA -1.087 60.381 61.300 0.280 0.000 1.129 113 I CB 0.905 38.981 38.000 0.127 0.000 1.288 113 I HN 0.381 nan 8.210 nan 0.000 0.444 114 L N 4.787 126.173 121.223 0.272 0.000 2.472 114 L HA 0.578 4.918 4.340 -0.001 0.000 0.256 114 L C 0.388 177.315 176.870 0.095 0.000 1.111 114 L CA -0.924 54.008 54.840 0.154 0.000 0.800 114 L CB 0.937 43.049 42.059 0.088 0.000 1.286 114 L HN 0.676 nan 8.230 nan 0.000 0.479 115 R N -0.349 120.153 120.500 0.003 0.000 2.393 115 R HA 0.542 4.881 4.340 -0.001 0.000 0.310 115 R C -0.428 175.714 176.300 -0.262 0.000 0.968 115 R CA -0.309 55.722 56.100 -0.114 0.000 0.867 115 R CB 1.532 31.815 30.300 -0.027 0.000 1.124 115 R HN 0.778 nan 8.270 nan 0.000 0.450 116 G N 1.371 109.848 108.800 -0.539 0.000 2.601 116 G HA2 0.053 4.012 3.960 -0.001 0.000 0.317 116 G HA3 0.053 4.012 3.960 -0.001 0.000 0.317 116 G C 0.503 175.026 174.900 -0.629 0.000 1.246 116 G CA -0.738 43.797 45.100 -0.942 0.000 1.012 116 G HN 0.818 nan 8.290 nan 0.000 0.494 117 N N -0.833 117.466 118.700 -0.668 0.000 2.443 117 N HA -0.149 4.591 4.740 -0.001 0.000 0.184 117 N C 0.960 176.235 175.510 -0.391 0.000 1.037 117 N CA 1.142 53.834 53.050 -0.598 0.000 0.896 117 N CB -0.235 37.469 38.487 -1.306 0.000 0.959 117 N HN 0.619 nan 8.380 nan 0.000 0.442 118 H N -0.182 118.683 119.070 -0.342 0.000 2.563 118 H HA 0.172 4.727 4.556 -0.001 0.000 0.264 118 H C 0.118 175.311 175.328 -0.226 0.000 0.957 118 H CA 0.100 56.050 56.048 -0.163 0.000 1.173 118 H CB 0.549 30.228 29.762 -0.138 0.000 1.420 118 H HN 0.232 nan 8.280 nan 0.000 0.551 119 E N 1.213 121.202 120.200 -0.351 0.000 2.594 119 E HA 0.089 4.438 4.350 -0.001 0.000 0.300 119 E C -0.230 176.330 176.600 -0.066 0.000 1.568 119 E CA -0.179 55.790 56.400 -0.718 0.000 1.811 119 E CB 0.173 29.281 29.700 -0.988 0.000 1.458 119 E HN 0.074 nan 8.360 nan 0.000 0.470 120 S N -0.738 115.068 115.700 0.178 0.000 2.704 120 S HA 0.449 4.919 4.470 -0.001 0.000 0.296 120 S C 0.704 175.536 174.600 0.386 0.000 1.138 120 S CA -0.729 57.642 58.200 0.285 0.000 0.875 120 S CB 1.055 64.394 63.200 0.232 0.000 1.151 120 S HN 0.245 nan 8.310 nan 0.000 0.500 121 R N 0.355 121.057 120.500 0.337 0.000 2.140 121 R HA 0.132 4.471 4.340 -0.001 0.000 0.213 121 R C 2.112 178.720 176.300 0.513 0.000 1.059 121 R CA 0.549 56.924 56.100 0.458 0.000 1.000 121 R CB -0.181 30.317 30.300 0.331 0.000 0.910 121 R HN 0.647 nan 8.270 nan 0.000 0.455 122 Q N 0.792 120.795 119.800 0.339 0.000 2.163 122 Q HA 0.011 4.350 4.340 -0.001 0.000 0.198 122 Q C 2.039 178.200 176.000 0.269 0.000 0.954 122 Q CA 0.799 56.752 55.803 0.251 0.000 0.851 122 Q CB 0.248 29.092 28.738 0.176 0.000 0.928 122 Q HN 0.291 nan 8.270 nan 0.000 0.459 123 I N 0.723 121.494 120.570 0.335 0.000 2.546 123 I HA -0.185 3.985 4.170 -0.001 0.000 0.255 123 I C 1.788 178.205 176.117 0.500 0.000 1.163 123 I CA 1.471 63.012 61.300 0.400 0.000 1.457 123 I CB 0.034 38.243 38.000 0.349 0.000 1.092 123 I HN 0.309 nan 8.210 nan 0.000 0.434 124 T N -2.334 112.553 114.554 0.556 0.000 3.072 124 T HA -0.081 4.269 4.350 -0.001 0.000 0.266 124 T C 1.477 176.493 174.700 0.526 0.000 1.127 124 T CA 0.560 63.074 62.100 0.689 0.000 1.107 124 T CB -0.159 69.322 68.868 1.022 0.000 0.910 124 T HN 0.470 nan 8.240 nan 0.000 0.513 125 Q N 0.095 120.078 119.800 0.305 0.000 2.360 125 Q HA 0.258 4.598 4.340 -0.001 0.000 0.202 125 Q C 1.353 177.344 176.000 -0.014 0.000 0.915 125 Q CA 0.061 55.869 55.803 0.008 0.000 0.943 125 Q CB 0.520 29.099 28.738 -0.264 0.000 1.064 125 Q HN 0.454 nan 8.270 nan 0.000 0.511 126 V N -1.369 118.560 119.914 0.026 0.000 3.484 126 V HA 0.016 4.135 4.120 -0.001 0.000 0.252 126 V C 0.234 176.123 176.094 -0.342 0.000 1.282 126 V CA 0.543 62.714 62.300 -0.217 0.000 1.104 126 V CB 0.344 31.946 31.823 -0.369 0.000 0.868 126 V HN 0.232 nan 8.190 nan 0.000 0.457 127 Y N 0.677 121.108 120.300 0.218 0.000 2.696 127 Y HA 0.645 5.194 4.550 -0.001 0.000 0.260 127 Y C 1.316 177.343 175.900 0.213 0.000 1.165 127 Y CA 0.292 58.519 58.100 0.211 0.000 1.189 127 Y CB 0.996 39.620 38.460 0.273 0.000 1.180 127 Y HN 0.215 nan 8.280 nan 0.000 0.538 128 G N -0.222 108.767 108.800 0.315 0.000 2.475 128 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.198 128 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.198 128 G C 1.009 176.111 174.900 0.336 0.000 2.226 128 G CA 0.006 45.281 45.100 0.291 0.000 1.626 128 G HN 0.095 nan 8.290 nan 0.000 0.534 129 F N 1.337 121.447 119.950 0.267 0.000 2.076 129 F HA -0.231 4.296 4.527 -0.001 0.000 0.294 129 F C 2.193 178.176 175.800 0.305 0.000 1.078 129 F CA 2.860 61.041 58.000 0.301 0.000 1.247 129 F CB -0.783 38.460 39.000 0.404 0.000 0.984 129 F HN 0.421 nan 8.300 nan 0.000 0.491 130 Y N 1.019 121.334 120.300 0.025 0.000 2.114 130 Y HA -0.234 4.316 4.550 -0.001 0.000 0.284 130 Y C 2.423 178.156 175.900 -0.278 0.000 1.143 130 Y CA 2.277 60.149 58.100 -0.379 0.000 1.135 130 Y CB -0.752 37.409 38.460 -0.499 0.000 0.980 130 Y HN 0.058 nan 8.280 nan 0.000 0.499 131 D N -0.086 120.279 120.400 -0.058 0.000 2.144 131 D HA -0.185 4.455 4.640 -0.001 0.000 0.200 131 D C 2.079 178.301 176.300 -0.130 0.000 0.978 131 D CA 1.503 55.446 54.000 -0.094 0.000 0.833 131 D CB -0.380 40.435 40.800 0.025 0.000 0.961 131 D HN 0.583 nan 8.370 nan 0.000 0.470 132 E N 0.034 120.193 120.200 -0.068 0.000 2.110 132 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 132 E C 1.872 178.405 176.600 -0.111 0.000 0.988 132 E CA 0.945 57.304 56.400 -0.068 0.000 0.804 132 E CB 0.020 29.731 29.700 0.019 0.000 0.745 132 E HN 0.199 nan 8.360 nan 0.000 0.458 133 C N 0.411 119.604 119.300 -0.178 0.000 2.425 133 C HA -0.117 4.343 4.460 -0.001 0.000 0.277 133 C C 2.524 177.471 174.990 -0.073 0.000 1.280 133 C CA 0.151 59.123 59.018 -0.075 0.000 1.744 133 C CB -0.913 26.683 27.740 -0.241 0.000 1.989 133 C HN 0.465 nan 8.230 nan 0.000 0.491 134 L N 0.916 121.993 121.223 -0.243 0.000 2.046 134 L HA -0.073 4.267 4.340 -0.001 0.000 0.208 134 L C 2.584 179.375 176.870 -0.131 0.000 1.077 134 L CA 1.732 56.445 54.840 -0.211 0.000 0.747 134 L CB -0.734 41.156 42.059 -0.282 0.000 0.896 134 L HN 0.307 nan 8.230 nan 0.000 0.432 135 R N -0.885 119.536 120.500 -0.132 0.000 2.280 135 R HA -0.058 4.282 4.340 -0.001 0.000 0.207 135 R C 1.390 177.591 176.300 -0.164 0.000 1.043 135 R CA 0.659 56.687 56.100 -0.121 0.000 1.006 135 R CB -0.026 30.209 30.300 -0.108 0.000 0.885 135 R HN 0.348 nan 8.270 nan 0.000 0.467 136 K N -1.369 118.897 120.400 -0.222 0.000 2.402 136 K HA 0.129 4.449 4.320 -0.001 0.000 0.203 136 K C 0.020 176.228 176.600 -0.654 0.000 1.077 136 K CA 0.227 56.255 56.287 -0.431 0.000 1.051 136 K CB 0.876 33.048 32.500 -0.547 0.000 0.907 136 K HN 0.101 nan 8.250 nan 0.000 0.554 137 Y N -1.062 119.188 120.300 -0.084 0.000 2.590 137 Y HA 0.200 4.749 4.550 -0.001 0.000 0.263 137 Y C 1.334 177.187 175.900 -0.078 0.000 1.069 137 Y CA 0.009 58.066 58.100 -0.072 0.000 1.242 137 Y CB 1.482 39.897 38.460 -0.074 0.000 1.357 137 Y HN 0.129 nan 8.280 nan 0.000 0.556 138 G N 1.363 110.171 108.800 0.014 0.000 2.257 138 G HA2 -0.380 3.580 3.960 -0.001 0.000 0.267 138 G HA3 -0.380 3.580 3.960 -0.001 0.000 0.267 138 G C 0.060 174.944 174.900 -0.026 0.000 0.984 138 G CA 0.875 45.965 45.100 -0.016 0.000 0.626 138 G HN 0.599 nan 8.290 nan 0.000 0.540 139 N N -2.117 116.568 118.700 -0.025 0.000 2.774 139 N HA 0.727 5.466 4.740 -0.001 0.000 0.264 139 N C 0.398 175.837 175.510 -0.119 0.000 1.415 139 N CA 0.071 53.084 53.050 -0.061 0.000 0.815 139 N CB 0.864 39.327 38.487 -0.040 0.000 1.514 139 N HN 0.709 nan 8.380 nan 0.000 0.523 140 A N -0.474 122.268 122.820 -0.131 0.000 2.302 140 A HA 0.143 4.462 4.320 -0.001 0.000 0.219 140 A C 0.890 178.407 177.584 -0.111 0.000 1.243 140 A CA -0.205 51.731 52.037 -0.167 0.000 0.856 140 A CB -0.940 18.011 19.000 -0.081 0.000 0.893 140 A HN 0.614 nan 8.150 nan 0.000 0.491 141 N N 0.354 118.921 118.700 -0.221 0.000 2.084 141 N HA -0.137 4.603 4.740 -0.001 0.000 0.190 141 N C 1.637 176.658 175.510 -0.814 0.000 1.030 141 N CA 1.567 54.312 53.050 -0.509 0.000 0.849 141 N CB -0.358 37.836 38.487 -0.488 0.000 1.012 141 N HN 0.250 nan 8.380 nan 0.000 0.423 142 V N -0.038 119.545 119.914 -0.552 0.000 2.594 142 V HA -0.198 3.921 4.120 -0.001 0.000 0.253 142 V C 1.904 177.950 176.094 -0.079 0.000 1.069 142 V CA 1.169 63.214 62.300 -0.425 0.000 1.082 142 V CB -0.518 30.932 31.823 -0.622 0.000 0.680 142 V HN 0.446 nan 8.190 nan 0.000 0.469 143 W N 1.000 122.139 121.300 -0.268 0.000 2.436 143 W HA -0.112 4.548 4.660 -0.000 0.000 0.284 143 W C 2.472 178.985 176.519 -0.010 0.000 1.225 143 W CA 1.754 59.017 57.345 -0.136 0.000 1.271 143 W CB 0.036 29.356 29.460 -0.232 0.000 1.114 143 W HN 0.103 nan 8.180 nan 0.000 0.559 144 K N -0.599 119.794 120.400 -0.011 0.000 2.031 144 K HA -0.211 4.108 4.320 -0.001 0.000 0.205 144 K C 1.988 178.513 176.600 -0.124 0.000 1.049 144 K CA 1.740 57.957 56.287 -0.116 0.000 0.939 144 K CB -1.000 31.487 32.500 -0.021 0.000 0.717 144 K HN 0.292 nan 8.250 nan 0.000 0.438 145 Y N -0.623 119.573 120.300 -0.173 0.000 2.207 145 Y HA -0.244 4.305 4.550 -0.001 0.000 0.287 145 Y C 2.119 177.770 175.900 -0.415 0.000 1.156 145 Y CA 0.514 58.438 58.100 -0.293 0.000 1.182 145 Y CB -0.144 38.091 38.460 -0.375 0.000 0.979 145 Y HN 0.042 nan 8.280 nan 0.000 0.521 146 F N 0.082 119.913 119.950 -0.199 0.000 2.149 146 F HA -0.165 4.362 4.527 -0.001 0.000 0.294 146 F C 2.793 177.943 175.800 -1.085 0.000 1.095 146 F CA 1.653 59.344 58.000 -0.515 0.000 1.276 146 F CB -1.059 37.796 39.000 -0.241 0.000 1.023 146 F HN 0.003 nan 8.300 nan 0.000 0.480 147 T N -2.993 111.159 114.554 -0.670 0.000 2.962 147 T HA -0.133 4.216 4.350 -0.001 0.000 0.270 147 T C 1.451 175.982 174.700 -0.282 0.000 1.088 147 T CA 1.535 63.279 62.100 -0.593 0.000 1.127 147 T CB -0.421 67.978 68.868 -0.780 0.000 0.883 147 T HN 0.044 nan 8.240 nan 0.000 0.493 148 D N 0.997 121.266 120.400 -0.220 0.000 2.123 148 D HA 0.050 4.689 4.640 -0.001 0.000 0.200 148 D C 1.900 178.254 176.300 0.091 0.000 0.976 148 D CA 0.471 54.460 54.000 -0.019 0.000 0.831 148 D CB -0.466 40.341 40.800 0.012 0.000 0.974 148 D HN 0.281 nan 8.370 nan 0.000 0.469 149 L N 0.063 121.257 121.223 -0.049 0.000 2.083 149 L HA -0.109 4.231 4.340 -0.001 0.000 0.209 149 L C 1.576 178.619 176.870 0.289 0.000 1.083 149 L CA 1.469 56.342 54.840 0.056 0.000 0.752 149 L CB -0.683 41.326 42.059 -0.084 0.000 0.899 149 L HN -0.084 nan 8.230 nan 0.000 0.433 150 F N -0.021 120.050 119.950 0.201 0.000 2.373 150 F HA -0.149 4.377 4.527 -0.001 0.000 0.300 150 F C 2.126 178.014 175.800 0.147 0.000 1.080 150 F CA 0.702 58.803 58.000 0.169 0.000 1.417 150 F CB -1.268 37.804 39.000 0.120 0.000 1.070 150 F HN 0.234 nan 8.300 nan 0.000 0.546 151 D N -1.538 119.054 120.400 0.319 0.000 2.224 151 D HA -0.137 4.502 4.640 -0.001 0.000 0.205 151 D C 1.784 178.095 176.300 0.018 0.000 0.965 151 D CA 1.050 55.123 54.000 0.121 0.000 0.852 151 D CB -0.307 40.496 40.800 0.004 0.000 0.947 151 D HN 0.288 nan 8.370 nan 0.000 0.494 152 Y N 0.290 120.668 120.300 0.130 0.000 2.511 152 Y HA 0.202 4.752 4.550 -0.001 0.000 0.279 152 Y C 0.867 176.843 175.900 0.127 0.000 1.157 152 Y CA -0.176 57.990 58.100 0.110 0.000 1.300 152 Y CB -0.106 38.407 38.460 0.088 0.000 1.052 152 Y HN -0.159 nan 8.280 nan 0.000 0.529 153 L N 2.959 124.355 121.223 0.288 0.000 2.499 153 L HA 0.094 4.434 4.340 -0.001 0.000 0.273 153 L C -2.187 174.779 176.870 0.161 0.000 1.195 153 L CA -1.788 53.189 54.840 0.228 0.000 0.882 153 L CB 0.203 42.399 42.059 0.228 0.000 1.133 153 L HN -0.163 nan 8.230 nan 0.000 0.483 154 P HA -0.004 nan 4.420 nan 0.000 0.263 154 P C 0.750 178.113 177.300 0.105 0.000 1.195 154 P CA 0.109 63.284 63.100 0.125 0.000 0.762 154 P CB 0.557 32.334 31.700 0.128 0.000 0.799 155 L N 1.594 122.877 121.223 0.099 0.000 2.131 155 L HA -0.067 4.273 4.340 -0.001 0.000 0.210 155 L C 1.337 178.252 176.870 0.076 0.000 1.092 155 L CA 1.593 56.484 54.840 0.085 0.000 0.759 155 L CB -0.662 41.457 42.059 0.100 0.000 0.903 155 L HN 0.521 nan 8.230 nan 0.000 0.435 156 T N -3.967 110.650 114.554 0.104 0.000 2.762 156 T HA 0.741 5.091 4.350 -0.001 0.000 0.301 156 T C -1.181 173.588 174.700 0.114 0.000 1.299 156 T CA -0.360 61.786 62.100 0.077 0.000 1.005 156 T CB 2.500 71.486 68.868 0.197 0.000 1.377 156 T HN 0.009 nan 8.240 nan 0.000 0.504 157 A N 0.698 123.569 122.820 0.085 0.000 2.486 157 A HA 0.774 5.093 4.320 -0.001 0.000 0.300 157 A C -1.605 176.085 177.584 0.177 0.000 1.048 157 A CA -0.793 51.317 52.037 0.122 0.000 0.696 157 A CB 1.723 20.771 19.000 0.079 0.000 1.278 157 A HN 1.210 nan 8.150 nan 0.000 0.405 158 L N 3.070 124.410 121.223 0.196 0.000 2.294 158 L HA 0.639 4.978 4.340 -0.001 0.000 0.283 158 L C -1.021 175.929 176.870 0.133 0.000 1.015 158 L CA -0.302 54.668 54.840 0.216 0.000 0.831 158 L CB 1.387 43.565 42.059 0.199 0.000 1.217 158 L HN 0.405 nan 8.230 nan 0.000 0.420 159 V N 5.423 125.409 119.914 0.120 0.000 2.385 159 V HA 0.264 4.383 4.120 -0.001 0.000 0.269 159 V C 0.408 176.547 176.094 0.075 0.000 1.043 159 V CA -0.245 62.103 62.300 0.080 0.000 0.906 159 V CB 0.705 32.563 31.823 0.058 0.000 0.995 159 V HN 0.907 nan 8.190 nan 0.000 0.467 160 D N 4.396 124.830 120.400 0.057 0.000 2.837 160 D HA -0.191 4.448 4.640 -0.001 0.000 0.230 160 D C 1.387 177.716 176.300 0.048 0.000 1.152 160 D CA 1.733 55.760 54.000 0.045 0.000 0.736 160 D CB -1.016 39.806 40.800 0.038 0.000 1.084 160 D HN 1.300 nan 8.370 nan 0.000 0.429 161 G N -0.983 107.852 108.800 0.059 0.000 2.212 161 G HA2 -0.417 3.543 3.960 -0.001 0.000 0.267 161 G HA3 -0.417 3.543 3.960 -0.001 0.000 0.267 161 G C 0.838 175.770 174.900 0.054 0.000 1.002 161 G CA 1.082 46.212 45.100 0.050 0.000 0.729 161 G HN 0.553 nan 8.290 nan 0.000 0.517 162 Q N -1.451 118.397 119.800 0.080 0.000 2.384 162 Q HA 0.331 4.671 4.340 -0.001 0.000 0.264 162 Q C 0.869 176.955 176.000 0.142 0.000 0.825 162 Q CA 0.118 55.975 55.803 0.090 0.000 0.984 162 Q CB 1.063 29.848 28.738 0.078 0.000 1.183 162 Q HN 0.578 nan 8.270 nan 0.000 0.537 163 I N 1.947 122.611 120.570 0.155 0.000 2.330 163 I HA 0.226 4.396 4.170 -0.001 0.000 0.286 163 I C -0.944 175.314 176.117 0.236 0.000 1.025 163 I CA -0.783 60.629 61.300 0.186 0.000 1.197 163 I CB 0.750 38.834 38.000 0.140 0.000 1.358 163 I HN -0.011 nan 8.210 nan 0.000 0.467 164 F N 7.626 127.645 119.950 0.115 0.000 2.421 164 F HA 0.414 4.940 4.527 -0.001 0.000 0.358 164 F C -0.130 175.728 175.800 0.097 0.000 1.115 164 F CA -0.901 57.173 58.000 0.123 0.000 1.160 164 F CB 0.399 39.516 39.000 0.195 0.000 1.123 164 F HN 0.369 nan 8.300 nan 0.000 0.508 165 C N 7.735 126.823 119.300 -0.354 0.000 2.417 165 C HA 0.866 5.325 4.460 -0.001 0.000 0.324 165 C C -0.688 173.987 174.990 -0.526 0.000 1.240 165 C CA -0.787 58.005 59.018 -0.378 0.000 1.632 165 C CB 0.351 28.010 27.740 -0.136 0.000 2.241 165 C HN 0.784 nan 8.230 nan 0.000 0.499 166 L N -0.035 120.929 121.223 -0.433 0.000 2.671 166 L HA 0.570 4.910 4.340 -0.001 0.000 0.259 166 L C 0.499 177.272 176.870 -0.160 0.000 1.021 166 L CA -0.598 54.066 54.840 -0.292 0.000 0.871 166 L CB 0.033 41.864 42.059 -0.379 0.000 1.472 166 L HN 0.621 nan 8.230 nan 0.000 0.410 167 H N 0.522 119.485 119.070 -0.178 0.000 2.261 167 H HA 0.200 4.756 4.556 -0.001 0.000 0.301 167 H C 1.462 176.682 175.328 -0.181 0.000 1.067 167 H CA 2.639 58.581 56.048 -0.176 0.000 1.297 167 H CB -0.042 29.585 29.762 -0.224 0.000 1.377 167 H HN 0.873 nan 8.280 nan 0.000 0.492 168 G N -1.565 107.000 108.800 -0.392 0.000 2.624 168 G HA2 0.411 4.371 3.960 -0.001 0.000 0.216 168 G HA3 0.411 4.371 3.960 -0.001 0.000 0.216 168 G C 0.500 175.329 174.900 -0.118 0.000 1.274 168 G CA 0.524 45.348 45.100 -0.460 0.000 0.856 168 G HN 0.843 nan 8.290 nan 0.000 0.555 169 G N -1.479 107.313 108.800 -0.013 0.000 2.392 169 G HA2 0.382 4.341 3.960 -0.001 0.000 0.260 169 G HA3 0.382 4.341 3.960 -0.001 0.000 0.260 169 G C -1.199 173.657 174.900 -0.074 0.000 1.226 169 G CA -0.744 44.418 45.100 0.102 0.000 0.913 169 G HN 0.398 nan 8.290 nan 0.000 0.483 170 L N 0.517 121.464 121.223 -0.459 0.000 2.456 170 L HA 0.667 5.007 4.340 -0.001 0.000 0.257 170 L C 0.665 177.546 176.870 0.019 0.000 1.162 170 L CA -0.486 54.053 54.840 -0.503 0.000 0.808 170 L CB 1.466 42.849 42.059 -1.126 0.000 1.136 170 L HN 0.534 nan 8.230 nan 0.000 0.466 171 S N -0.282 115.487 115.700 0.115 0.000 2.536 171 S HA 0.503 4.973 4.470 -0.001 0.000 0.287 171 S C -2.217 172.256 174.600 -0.212 0.000 1.101 171 S CA -1.367 56.860 58.200 0.044 0.000 0.950 171 S CB 1.907 65.128 63.200 0.035 0.000 1.056 171 S HN 0.304 nan 8.310 nan 0.000 0.481 172 P HA 0.055 nan 4.420 nan 0.000 0.230 172 P C 0.399 177.437 177.300 -0.436 0.000 1.158 172 P CA 0.472 62.858 63.100 -1.189 0.000 0.769 172 P CB 0.017 30.592 31.700 -1.875 0.000 0.807 173 S N -1.271 114.265 115.700 -0.272 0.000 2.562 173 S HA 0.385 4.854 4.470 -0.001 0.000 0.246 173 S C 0.219 174.786 174.600 -0.054 0.000 1.056 173 S CA -0.430 57.681 58.200 -0.148 0.000 1.042 173 S CB -0.635 62.481 63.200 -0.139 0.000 0.822 173 S HN -0.012 nan 8.310 nan 0.000 0.465 174 I N 1.398 122.004 120.570 0.060 0.000 2.599 174 I HA 0.280 4.450 4.170 -0.001 0.000 0.285 174 I C -0.887 175.466 176.117 0.394 0.000 1.168 174 I CA -0.299 61.141 61.300 0.233 0.000 1.060 174 I CB 2.208 40.330 38.000 0.205 0.000 1.249 174 I HN 0.076 nan 8.210 nan 0.000 0.442 175 D N 2.641 123.376 120.400 0.558 0.000 2.454 175 D HA 0.078 4.718 4.640 -0.001 0.000 0.219 175 D C 0.765 177.055 176.300 -0.016 0.000 1.081 175 D CA 0.835 55.029 54.000 0.322 0.000 0.867 175 D CB 1.344 42.295 40.800 0.251 0.000 1.054 175 D HN 0.611 nan 8.370 nan 0.000 0.500 176 T N -2.522 111.909 114.554 -0.205 0.000 2.906 176 T HA 0.398 4.748 4.350 -0.001 0.000 0.295 176 T C 1.258 175.813 174.700 -0.242 0.000 1.075 176 T CA -0.720 61.129 62.100 -0.418 0.000 1.005 176 T CB 1.581 70.078 68.868 -0.619 0.000 1.136 176 T HN -0.209 nan 8.240 nan 0.000 0.498 177 L N 0.600 121.666 121.223 -0.261 0.000 2.127 177 L HA -0.093 4.246 4.340 -0.001 0.000 0.211 177 L C 2.185 179.020 176.870 -0.059 0.000 1.089 177 L CA 1.501 56.252 54.840 -0.149 0.000 0.757 177 L CB -0.540 41.417 42.059 -0.171 0.000 0.899 177 L HN 0.767 nan 8.230 nan 0.000 0.434 178 D N -0.686 119.648 120.400 -0.110 0.000 2.144 178 D HA -0.173 4.467 4.640 -0.001 0.000 0.200 178 D C 1.953 178.295 176.300 0.070 0.000 0.978 178 D CA 1.216 55.192 54.000 -0.039 0.000 0.833 178 D CB -0.163 40.591 40.800 -0.077 0.000 0.961 178 D HN 0.532 nan 8.370 nan 0.000 0.470 179 H N 0.249 119.328 119.070 0.015 0.000 2.387 179 H HA -0.051 4.504 4.556 -0.001 0.000 0.299 179 H C 2.308 177.665 175.328 0.048 0.000 1.099 179 H CA 0.432 56.499 56.048 0.031 0.000 1.315 179 H CB 0.266 30.052 29.762 0.041 0.000 1.380 179 H HN 0.141 nan 8.280 nan 0.000 0.513 180 I N 0.483 121.167 120.570 0.191 0.000 2.233 180 I HA -0.201 3.969 4.170 -0.001 0.000 0.243 180 I C 2.268 178.458 176.117 0.121 0.000 1.093 180 I CA 0.918 62.312 61.300 0.156 0.000 1.380 180 I CB -0.230 37.877 38.000 0.179 0.000 1.067 180 I HN 0.208 nan 8.210 nan 0.000 0.413 181 R N 1.088 121.649 120.500 0.102 0.000 2.159 181 R HA -0.149 4.190 4.340 -0.001 0.000 0.237 181 R C 2.342 178.687 176.300 0.075 0.000 1.131 181 R CA 1.356 57.505 56.100 0.082 0.000 0.982 181 R CB -0.468 29.870 30.300 0.062 0.000 0.868 181 R HN 0.385 nan 8.270 nan 0.000 0.453 182 A N 1.810 124.681 122.820 0.084 0.000 1.873 182 A HA -0.040 4.279 4.320 -0.001 0.000 0.215 182 A C 1.216 178.835 177.584 0.058 0.000 1.186 182 A CA 0.543 52.623 52.037 0.072 0.000 0.616 182 A CB -0.455 18.598 19.000 0.089 0.000 0.823 182 A HN 0.123 nan 8.150 nan 0.000 0.442 183 L N 0.550 121.812 121.223 0.065 0.000 2.529 183 L HA 0.028 4.368 4.340 -0.001 0.000 0.287 183 L C 0.079 176.976 176.870 0.044 0.000 1.241 183 L CA -0.021 54.850 54.840 0.052 0.000 0.857 183 L CB -0.038 42.059 42.059 0.064 0.000 1.113 183 L HN 0.347 nan 8.230 nan 0.000 0.504 184 D N 1.036 121.455 120.400 0.032 0.000 2.396 184 D HA 0.168 4.807 4.640 -0.001 0.000 0.225 184 D C 0.942 177.252 176.300 0.017 0.000 1.121 184 D CA -0.632 53.380 54.000 0.020 0.000 0.853 184 D CB 0.801 41.609 40.800 0.013 0.000 1.043 184 D HN 0.464 nan 8.370 nan 0.000 0.500 185 R N 3.309 123.817 120.500 0.014 0.000 2.276 185 R HA 0.153 4.493 4.340 -0.001 0.000 0.196 185 R C 0.421 176.701 176.300 -0.034 0.000 0.961 185 R CA 0.054 56.162 56.100 0.013 0.000 1.024 185 R CB -0.081 30.240 30.300 0.036 0.000 0.940 185 R HN 0.367 nan 8.270 nan 0.000 0.480 186 L N 3.677 124.848 121.223 -0.087 0.000 2.436 186 L HA 0.092 4.431 4.340 -0.001 0.000 0.244 186 L C -0.408 176.390 176.870 -0.121 0.000 1.396 186 L CA 0.250 54.971 54.840 -0.199 0.000 1.217 186 L CB -0.838 41.060 42.059 -0.269 0.000 1.420 186 L HN 0.486 nan 8.230 nan 0.000 0.434 187 Q N -0.826 118.940 119.800 -0.056 0.000 2.756 187 Q HA 0.343 4.683 4.340 -0.001 0.000 0.295 187 Q C -0.909 175.117 176.000 0.044 0.000 0.903 187 Q CA -1.081 54.720 55.803 -0.002 0.000 0.768 187 Q CB 1.213 29.960 28.738 0.015 0.000 1.472 187 Q HN 0.113 nan 8.270 nan 0.000 0.416 188 E N 0.243 120.484 120.200 0.069 0.000 2.442 188 E HA 0.171 4.521 4.350 -0.001 0.000 0.260 188 E C -0.933 175.735 176.600 0.113 0.000 1.148 188 E CA -0.239 56.224 56.400 0.105 0.000 0.976 188 E CB 0.844 30.612 29.700 0.113 0.000 0.967 188 E HN 0.411 nan 8.360 nan 0.000 0.454 189 V N 5.187 125.188 119.914 0.144 0.000 2.470 189 V HA 0.200 4.319 4.120 -0.001 0.000 0.276 189 V C -1.840 174.347 176.094 0.155 0.000 1.040 189 V CA -1.203 61.191 62.300 0.157 0.000 1.008 189 V CB 0.633 32.583 31.823 0.211 0.000 0.990 189 V HN 0.790 nan 8.190 nan 0.000 0.477 190 P HA 0.104 nan 4.420 nan 0.000 0.270 190 P C 0.647 178.005 177.300 0.096 0.000 1.223 190 P CA -0.146 63.030 63.100 0.128 0.000 0.785 190 P CB 0.342 32.083 31.700 0.068 0.000 0.923 191 H N 0.250 119.304 119.070 -0.025 0.000 2.548 191 H HA 0.244 4.800 4.556 -0.001 0.000 0.268 191 H C -0.122 175.135 175.328 -0.118 0.000 0.975 191 H CA 0.730 56.722 56.048 -0.094 0.000 1.195 191 H CB 0.437 30.150 29.762 -0.081 0.000 1.397 191 H HN 0.419 nan 8.280 nan 0.000 0.572 192 E N -0.614 119.207 120.200 -0.631 0.000 2.433 192 E HA 0.504 4.853 4.350 -0.001 0.000 0.278 192 E C -0.575 175.886 176.600 -0.232 0.000 0.976 192 E CA -0.485 55.639 56.400 -0.459 0.000 0.793 192 E CB 2.832 32.177 29.700 -0.592 0.000 1.311 192 E HN 0.402 nan 8.360 nan 0.000 0.460 193 G N 0.686 109.415 108.800 -0.118 0.000 2.498 193 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.651 193 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.651 193 G C -2.579 172.325 174.900 0.008 0.000 1.284 193 G CA -0.637 44.433 45.100 -0.050 0.000 0.950 193 G HN 0.413 nan 8.290 nan 0.000 0.511 194 P HA -0.073 nan 4.420 nan 0.000 0.212 194 P C 2.282 179.626 177.300 0.074 0.000 1.180 194 P CA 2.152 65.278 63.100 0.042 0.000 0.906 194 P CB -0.047 31.673 31.700 0.032 0.000 0.782 195 M N -0.872 118.769 119.600 0.069 0.000 2.106 195 M HA -0.252 4.228 4.480 -0.001 0.000 0.259 195 M C 2.234 178.605 176.300 0.118 0.000 1.068 195 M CA 2.011 57.364 55.300 0.088 0.000 1.100 195 M CB -0.919 31.727 32.600 0.076 0.000 1.351 195 M HN 0.039 nan 8.290 nan 0.000 0.404 196 C N 1.005 120.374 119.300 0.115 0.000 2.436 196 C HA -0.176 4.283 4.460 -0.001 0.000 0.277 196 C C 2.157 177.302 174.990 0.259 0.000 1.241 196 C CA 1.794 60.924 59.018 0.187 0.000 1.721 196 C CB -1.257 26.512 27.740 0.048 0.000 2.043 196 C HN 0.633 nan 8.230 nan 0.000 0.472 197 D N 0.738 121.241 120.400 0.172 0.000 2.123 197 D HA -0.119 4.520 4.640 -0.001 0.000 0.196 197 D C 2.104 178.510 176.300 0.177 0.000 0.992 197 D CA 1.274 55.399 54.000 0.209 0.000 0.833 197 D CB -0.631 40.296 40.800 0.212 0.000 0.954 197 D HN 0.538 nan 8.370 nan 0.000 0.455 198 L N -0.232 121.066 121.223 0.125 0.000 2.127 198 L HA -0.185 4.155 4.340 -0.001 0.000 0.211 198 L C 1.970 178.847 176.870 0.011 0.000 1.089 198 L CA 0.540 55.423 54.840 0.072 0.000 0.757 198 L CB -0.134 41.979 42.059 0.090 0.000 0.899 198 L HN 0.079 nan 8.230 nan 0.000 0.434 199 L N -2.762 118.482 121.223 0.034 0.000 2.477 199 L HA -0.001 4.339 4.340 -0.001 0.000 0.220 199 L C 1.341 177.978 176.870 -0.389 0.000 1.106 199 L CA 1.262 56.041 54.840 -0.101 0.000 0.851 199 L CB -0.177 41.856 42.059 -0.043 0.000 0.994 199 L HN 0.228 nan 8.230 nan 0.000 0.462 200 W N -2.149 119.051 121.300 -0.167 0.000 2.873 200 W HA 0.277 4.937 4.660 -0.001 0.000 0.282 200 W C 1.352 177.846 176.519 -0.042 0.000 1.118 200 W CA -0.132 57.111 57.345 -0.169 0.000 1.480 200 W CB 0.007 29.467 29.460 -0.001 0.000 0.954 200 W HN -0.267 nan 8.180 nan 0.000 0.591 201 S N 1.513 117.360 115.700 0.245 0.000 2.576 201 S HA 0.109 4.579 4.470 -0.001 0.000 0.272 201 S C -0.326 174.472 174.600 0.329 0.000 1.352 201 S CA 0.152 58.565 58.200 0.355 0.000 1.021 201 S CB 0.339 63.827 63.200 0.480 0.000 0.887 201 S HN -0.026 nan 8.310 nan 0.000 0.542 202 D N 2.020 122.604 120.400 0.307 0.000 2.780 202 D HA 0.362 5.002 4.640 -0.001 0.000 0.242 202 D C -2.651 173.464 176.300 -0.309 0.000 1.135 202 D CA -1.356 52.690 54.000 0.075 0.000 0.859 202 D CB 1.888 42.718 40.800 0.049 0.000 1.530 202 D HN 0.192 nan 8.370 nan 0.000 0.493 203 P HA 0.130 nan 4.420 nan 0.000 0.271 203 P C -0.541 176.456 177.300 -0.504 0.000 1.218 203 P CA 0.049 62.447 63.100 -1.170 0.000 0.780 203 P CB 1.558 32.651 31.700 -1.013 0.000 0.901 204 D N 0.198 120.442 120.400 -0.260 0.000 2.592 204 D HA 0.174 4.814 4.640 -0.001 0.000 0.263 204 D C -0.476 175.852 176.300 0.047 0.000 1.132 204 D CA -0.359 53.592 54.000 -0.081 0.000 0.996 204 D CB 1.490 42.255 40.800 -0.059 0.000 1.442 204 D HN 0.317 nan 8.370 nan 0.000 0.486 205 D N 0.031 120.432 120.400 0.003 0.000 2.643 205 D HA 0.116 4.755 4.640 -0.001 0.000 0.244 205 D C -0.306 175.985 176.300 -0.015 0.000 1.257 205 D CA -0.282 53.722 54.000 0.008 0.000 0.831 205 D CB 0.128 40.928 40.800 -0.000 0.000 1.043 205 D HN 0.179 nan 8.370 nan 0.000 0.488 206 R N -0.390 120.097 120.500 -0.021 0.000 2.740 206 R HA 0.666 5.006 4.340 -0.001 0.000 0.282 206 R C 0.570 176.844 176.300 -0.044 0.000 0.969 206 R CA -1.042 55.047 56.100 -0.018 0.000 0.918 206 R CB 1.626 31.930 30.300 0.006 0.000 1.175 206 R HN 0.021 nan 8.270 nan 0.000 0.464 207 G N 0.169 108.942 108.800 -0.046 0.000 2.634 207 G HA2 0.390 4.350 3.960 -0.001 0.000 0.255 207 G HA3 0.390 4.350 3.960 -0.001 0.000 0.255 207 G C 0.563 175.421 174.900 -0.071 0.000 1.205 207 G CA 0.278 45.333 45.100 -0.075 0.000 0.884 207 G HN 0.791 nan 8.290 nan 0.000 0.549 208 G N -0.398 108.323 108.800 -0.133 0.000 2.582 208 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.300 208 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.300 208 G C 0.010 174.785 174.900 -0.208 0.000 1.300 208 G CA 0.652 45.642 45.100 -0.182 0.000 0.959 208 G HN 0.840 nan 8.290 nan 0.000 0.548 209 W N 0.136 121.470 121.300 0.056 0.000 2.375 209 W HA 0.610 5.270 4.660 -0.001 0.000 0.336 209 W C 0.724 177.311 176.519 0.112 0.000 1.160 209 W CA 0.320 57.715 57.345 0.082 0.000 1.266 209 W CB 1.642 31.085 29.460 -0.028 0.000 1.195 209 W HN 0.904 nan 8.180 nan 0.000 0.599 210 G N 0.590 109.657 108.800 0.445 0.000 2.766 210 G HA2 0.676 4.636 3.960 -0.001 0.000 0.288 210 G HA3 0.676 4.636 3.960 -0.001 0.000 0.288 210 G C -1.764 173.341 174.900 0.341 0.000 1.408 210 G CA -1.200 44.085 45.100 0.307 0.000 0.852 210 G HN 0.403 nan 8.290 nan 0.000 0.487 211 I N 1.716 122.410 120.570 0.207 0.000 2.337 211 I HA 0.242 4.411 4.170 -0.001 0.000 0.291 211 I C 0.969 177.147 176.117 0.102 0.000 1.046 211 I CA -0.220 61.161 61.300 0.135 0.000 1.324 211 I CB 1.498 39.547 38.000 0.082 0.000 1.409 211 I HN 0.348 nan 8.210 nan 0.000 0.494 212 S N 8.803 124.546 115.700 0.072 0.000 2.531 212 S HA 0.252 4.721 4.470 -0.001 0.000 0.279 212 S C -0.907 173.721 174.600 0.047 0.000 1.305 212 S CA -1.150 57.097 58.200 0.078 0.000 1.058 212 S CB 0.757 64.008 63.200 0.085 0.000 0.899 212 S HN 0.519 nan 8.310 nan 0.000 0.493 213 P HA -0.012 nan 4.420 nan 0.000 0.230 213 P C 0.860 178.193 177.300 0.054 0.000 1.158 213 P CA 0.519 63.645 63.100 0.043 0.000 0.769 213 P CB 0.127 31.848 31.700 0.035 0.000 0.807 214 R N -0.568 119.986 120.500 0.090 0.000 2.148 214 R HA 0.079 4.418 4.340 -0.001 0.000 0.223 214 R C 1.681 178.006 176.300 0.042 0.000 1.088 214 R CA 1.104 57.287 56.100 0.137 0.000 0.985 214 R CB -0.536 29.951 30.300 0.312 0.000 0.880 214 R HN 0.258 nan 8.270 nan 0.000 0.451 215 G N -0.531 108.252 108.800 -0.029 0.000 2.176 215 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.232 215 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.232 215 G C -0.119 174.641 174.900 -0.234 0.000 0.986 215 G CA -0.108 44.927 45.100 -0.109 0.000 0.643 215 G HN 0.625 nan 8.290 nan 0.000 0.522 216 A N -1.045 121.619 122.820 -0.260 0.000 2.594 216 A HA 1.066 5.386 4.320 -0.001 0.000 0.295 216 A C 1.126 178.602 177.584 -0.179 0.000 1.071 216 A CA 1.201 52.996 52.037 -0.404 0.000 0.685 216 A CB 0.963 19.368 19.000 -0.991 0.000 1.285 216 A HN 2.311 nan 8.150 nan 0.000 0.405 217 G N -0.453 108.214 108.800 -0.223 0.000 2.697 217 G HA2 0.072 4.032 3.960 -0.001 0.000 0.240 217 G HA3 0.072 4.032 3.960 -0.001 0.000 0.240 217 G C -0.550 174.183 174.900 -0.280 0.000 1.346 217 G CA 0.500 45.554 45.100 -0.077 0.000 0.887 217 G HN 1.647 nan 8.290 nan 0.000 0.569 218 Y N -0.949 119.499 120.300 0.246 0.000 2.790 218 Y HA 0.743 5.292 4.550 -0.001 0.000 0.323 218 Y C 0.952 177.086 175.900 0.390 0.000 1.230 218 Y CA -0.100 58.188 58.100 0.312 0.000 1.121 218 Y CB 1.668 40.378 38.460 0.418 0.000 1.328 218 Y HN 1.020 nan 8.280 nan 0.000 0.514 219 T N -0.604 114.293 114.554 0.571 0.000 2.888 219 T HA 0.771 5.121 4.350 -0.001 0.000 0.284 219 T C -1.151 173.811 174.700 0.436 0.000 1.017 219 T CA -0.653 61.660 62.100 0.355 0.000 1.022 219 T CB 0.855 69.833 68.868 0.184 0.000 1.013 219 T HN 0.508 nan 8.240 nan 0.000 0.465 220 F N -0.576 119.427 119.950 0.088 0.000 2.561 220 F HA 0.805 5.332 4.527 -0.001 0.000 0.313 220 F C 0.120 175.862 175.800 -0.097 0.000 1.126 220 F CA -1.269 56.619 58.000 -0.186 0.000 0.918 220 F CB 0.949 39.686 39.000 -0.440 0.000 1.199 220 F HN 0.915 nan 8.300 nan 0.000 0.444 221 G N 1.716 110.426 108.800 -0.150 0.000 2.588 221 G HA2 0.209 4.169 3.960 -0.001 0.000 0.281 221 G HA3 0.209 4.169 3.960 -0.001 0.000 0.281 221 G C 0.309 174.831 174.900 -0.630 0.000 1.236 221 G CA -0.458 44.455 45.100 -0.312 0.000 0.969 221 G HN 0.976 nan 8.290 nan 0.000 0.504 222 Q N -0.489 118.729 119.800 -0.970 0.000 2.096 222 Q HA -0.225 4.115 4.340 -0.001 0.000 0.208 222 Q C 2.199 178.023 176.000 -0.295 0.000 0.993 222 Q CA 2.466 57.785 55.803 -0.806 0.000 0.862 222 Q CB -0.219 28.270 28.738 -0.414 0.000 0.915 222 Q HN 0.803 nan 8.270 nan 0.000 0.416 223 D N -0.025 120.245 120.400 -0.216 0.000 2.133 223 D HA -0.238 4.401 4.640 -0.001 0.000 0.195 223 D C 1.911 178.151 176.300 -0.100 0.000 0.997 223 D CA 1.550 55.476 54.000 -0.123 0.000 0.840 223 D CB -0.608 40.123 40.800 -0.115 0.000 0.947 223 D HN 0.455 nan 8.370 nan 0.000 0.452 224 I N 1.090 121.562 120.570 -0.163 0.000 2.179 224 I HA -0.251 3.919 4.170 -0.001 0.000 0.242 224 I C 2.740 178.857 176.117 0.000 0.000 1.088 224 I CA 1.057 62.254 61.300 -0.171 0.000 1.357 224 I CB -0.230 37.470 38.000 -0.499 0.000 1.051 224 I HN -0.011 nan 8.210 nan 0.000 0.409 225 S N 0.508 116.267 115.700 0.097 0.000 2.343 225 S HA -0.218 4.252 4.470 -0.001 0.000 0.219 225 S C 1.827 176.564 174.600 0.229 0.000 1.033 225 S CA 1.485 59.832 58.200 0.245 0.000 1.014 225 S CB -0.413 63.043 63.200 0.426 0.000 0.915 225 S HN 0.459 nan 8.310 nan 0.000 0.435 226 E N 0.653 120.939 120.200 0.142 0.000 2.086 226 E HA -0.172 4.178 4.350 -0.001 0.000 0.200 226 E C 2.218 178.895 176.600 0.129 0.000 1.012 226 E CA 1.708 58.182 56.400 0.124 0.000 0.812 226 E CB -0.483 29.252 29.700 0.058 0.000 0.743 226 E HN 0.421 nan 8.360 nan 0.000 0.453 227 T N 0.755 115.363 114.554 0.091 0.000 2.708 227 T HA -0.168 4.182 4.350 -0.001 0.000 0.266 227 T C 1.510 176.278 174.700 0.114 0.000 1.037 227 T CA 1.168 63.311 62.100 0.072 0.000 1.146 227 T CB -0.423 68.474 68.868 0.048 0.000 0.865 227 T HN 0.170 nan 8.240 nan 0.000 0.435 228 F N 2.488 122.458 119.950 0.033 0.000 2.134 228 F HA -0.137 4.390 4.527 -0.001 0.000 0.299 228 F C 2.164 177.983 175.800 0.031 0.000 1.097 228 F CA 1.075 59.087 58.000 0.020 0.000 1.264 228 F CB -0.283 38.718 39.000 0.001 0.000 1.001 228 F HN 0.042 nan 8.300 nan 0.000 0.479 229 N N -0.346 118.481 118.700 0.210 0.000 2.039 229 N HA -0.236 4.504 4.740 -0.001 0.000 0.193 229 N C 2.108 177.629 175.510 0.018 0.000 1.044 229 N CA 1.589 54.720 53.050 0.135 0.000 0.847 229 N CB -1.090 37.520 38.487 0.204 0.000 1.030 229 N HN 0.406 nan 8.380 nan 0.000 0.422 230 H N 1.054 120.111 119.070 -0.022 0.000 2.289 230 H HA -0.074 4.482 4.556 -0.001 0.000 0.296 230 H C 1.592 176.859 175.328 -0.102 0.000 1.091 230 H CA 1.996 58.018 56.048 -0.043 0.000 1.274 230 H CB -0.209 29.541 29.762 -0.020 0.000 1.364 230 H HN 0.202 nan 8.280 nan 0.000 0.490 231 A N 0.622 123.478 122.820 0.060 0.000 2.019 231 A HA -0.132 4.188 4.320 -0.001 0.000 0.219 231 A C 1.976 179.423 177.584 -0.228 0.000 1.164 231 A CA 1.502 53.500 52.037 -0.065 0.000 0.644 231 A CB -0.193 18.729 19.000 -0.130 0.000 0.805 231 A HN 0.597 nan 8.150 nan 0.000 0.449 232 N N -0.912 117.591 118.700 -0.329 0.000 2.187 232 N HA 0.173 4.913 4.740 -0.001 0.000 0.212 232 N C 0.702 176.083 175.510 -0.214 0.000 1.152 232 N CA 0.620 53.461 53.050 -0.349 0.000 0.872 232 N CB 0.565 38.696 38.487 -0.593 0.000 1.025 232 N HN 0.512 nan 8.380 nan 0.000 0.514 233 G N 1.908 110.601 108.800 -0.179 0.000 2.350 233 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.298 233 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.298 233 G C -0.307 174.559 174.900 -0.058 0.000 1.037 233 G CA 0.322 45.346 45.100 -0.127 0.000 1.074 233 G HN 0.249 nan 8.290 nan 0.000 0.511 234 L N -0.784 120.427 121.223 -0.021 0.000 2.342 234 L HA 0.626 4.965 4.340 -0.001 0.000 0.271 234 L C 1.416 178.347 176.870 0.101 0.000 1.008 234 L CA -0.616 54.266 54.840 0.070 0.000 0.818 234 L CB 1.973 44.114 42.059 0.137 0.000 1.296 234 L HN 0.179 nan 8.230 nan 0.000 0.427 235 T N 0.098 114.731 114.554 0.131 0.000 3.037 235 T HA 0.322 4.671 4.350 -0.001 0.000 0.251 235 T C -0.053 174.768 174.700 0.201 0.000 1.079 235 T CA 0.127 62.315 62.100 0.146 0.000 1.067 235 T CB 0.264 69.219 68.868 0.144 0.000 0.948 235 T HN 0.300 nan 8.240 nan 0.000 0.496 236 L N 0.646 122.006 121.223 0.228 0.000 2.612 236 L HA 0.592 4.931 4.340 -0.001 0.000 0.256 236 L C -2.032 175.003 176.870 0.275 0.000 0.949 236 L CA -0.936 54.061 54.840 0.262 0.000 0.867 236 L CB 1.945 44.167 42.059 0.271 0.000 1.417 236 L HN -0.137 nan 8.230 nan 0.000 0.414 237 V N 2.696 122.771 119.914 0.268 0.000 2.370 237 V HA 0.653 4.773 4.120 -0.001 0.000 0.283 237 V C -0.028 176.130 176.094 0.105 0.000 1.023 237 V CA -0.358 62.088 62.300 0.242 0.000 0.857 237 V CB 1.315 33.302 31.823 0.273 0.000 0.985 237 V HN 0.774 nan 8.190 nan 0.000 0.443 238 S N 5.778 121.488 115.700 0.016 0.000 2.498 238 S HA 0.815 5.284 4.470 -0.001 0.000 0.324 238 S C -0.336 174.199 174.600 -0.109 0.000 1.071 238 S CA -0.783 57.388 58.200 -0.048 0.000 1.113 238 S CB 0.320 63.498 63.200 -0.038 0.000 0.976 238 S HN 0.909 nan 8.310 nan 0.000 0.462 239 R N 2.969 123.410 120.500 -0.098 0.000 2.831 239 R HA 0.964 5.303 4.340 -0.001 0.000 0.266 239 R C -0.115 176.121 176.300 -0.107 0.000 1.051 239 R CA -0.590 55.437 56.100 -0.121 0.000 0.943 239 R CB 0.379 30.608 30.300 -0.117 0.000 1.228 239 R HN 0.485 nan 8.270 nan 0.000 0.467 240 A N -0.783 121.953 122.820 -0.140 0.000 2.970 240 A HA 0.435 4.755 4.320 -0.001 0.000 0.197 240 A C 0.340 177.843 177.584 -0.136 0.000 1.411 240 A CA 0.757 52.746 52.037 -0.079 0.000 1.518 240 A CB -0.854 18.149 19.000 0.005 0.000 1.658 240 A HN 1.072 nan 8.150 nan 0.000 0.539 241 H N -1.195 117.644 119.070 -0.384 0.000 4.897 241 H HA -0.187 4.369 4.556 -0.001 0.000 0.105 241 H C 0.223 175.440 175.328 -0.185 0.000 0.627 241 H CA 2.250 58.041 56.048 -0.428 0.000 1.200 241 H CB -0.830 28.468 29.762 -0.774 0.000 0.673 241 H HN 0.543 nan 8.280 nan 0.000 0.577 242 Q N 0.187 119.825 119.800 -0.270 0.000 2.337 242 Q HA 0.398 4.738 4.340 -0.001 0.000 0.266 242 Q C -0.680 174.798 176.000 -0.871 0.000 1.023 242 Q CA -0.937 54.580 55.803 -0.478 0.000 0.829 242 Q CB 2.293 30.836 28.738 -0.326 0.000 1.306 242 Q HN 0.282 nan 8.270 nan 0.000 0.449 243 L N 3.912 124.488 121.223 -1.078 0.000 2.513 243 L HA 0.110 4.450 4.340 -0.001 0.000 0.272 243 L C -0.878 175.568 176.870 -0.706 0.000 1.187 243 L CA 0.263 54.294 54.840 -1.349 0.000 0.895 243 L CB 0.481 42.076 42.059 -0.774 0.000 1.147 243 L HN 0.376 nan 8.230 nan 0.000 0.483 244 V N 4.589 124.156 119.914 -0.578 0.000 2.409 244 V HA 0.316 4.435 4.120 -0.001 0.000 0.290 244 V C 1.203 177.174 176.094 -0.205 0.000 1.017 244 V CA -0.799 61.314 62.300 -0.313 0.000 0.841 244 V CB 1.331 32.999 31.823 -0.258 0.000 1.003 244 V HN 0.877 nan 8.190 nan 0.000 0.426 245 M N 1.215 120.710 119.600 -0.174 0.000 2.113 245 M HA -0.126 4.354 4.480 -0.001 0.000 0.255 245 M C 1.801 178.040 176.300 -0.101 0.000 1.073 245 M CA 1.857 57.089 55.300 -0.114 0.000 1.091 245 M CB -0.875 31.664 32.600 -0.101 0.000 1.309 245 M HN 0.766 nan 8.290 nan 0.000 0.407 246 E N -0.596 119.521 120.200 -0.138 0.000 2.515 246 E HA 0.011 4.361 4.350 -0.001 0.000 0.201 246 E C 1.608 178.150 176.600 -0.097 0.000 1.071 246 E CA 0.845 57.162 56.400 -0.138 0.000 0.880 246 E CB -0.328 29.233 29.700 -0.232 0.000 0.828 246 E HN 0.730 nan 8.360 nan 0.000 0.540 247 G N 0.722 109.477 108.800 -0.076 0.000 2.383 247 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.229 247 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.229 247 G C 0.100 175.036 174.900 0.061 0.000 1.089 247 G CA 0.514 45.609 45.100 -0.008 0.000 0.640 247 G HN 0.369 nan 8.290 nan 0.000 0.510 248 Y N 0.259 120.433 120.300 -0.209 0.000 2.581 248 Y HA 0.780 5.330 4.550 -0.001 0.000 0.337 248 Y C -1.125 174.524 175.900 -0.419 0.000 1.108 248 Y CA -1.266 56.633 58.100 -0.334 0.000 1.033 248 Y CB 1.050 39.232 38.460 -0.463 0.000 1.318 248 Y HN 0.432 nan 8.280 nan 0.000 0.459 249 N N 1.551 119.909 118.700 -0.570 0.000 2.308 249 N HA 0.452 5.191 4.740 -0.001 0.000 0.283 249 N C -2.350 172.868 175.510 -0.487 0.000 1.105 249 N CA -0.517 52.184 53.050 -0.583 0.000 0.840 249 N CB 1.681 39.952 38.487 -0.361 0.000 1.633 249 N HN 0.765 nan 8.380 nan 0.000 0.476 250 W N 2.572 123.697 121.300 -0.292 0.000 2.449 250 W HA 0.647 5.307 4.660 -0.001 0.000 0.331 250 W C 0.051 176.474 176.519 -0.160 0.000 1.119 250 W CA -0.346 56.893 57.345 -0.177 0.000 1.240 250 W CB 1.209 30.589 29.460 -0.134 0.000 1.251 250 W HN 0.692 nan 8.180 nan 0.000 0.576 251 C N -0.445 118.959 119.300 0.172 0.000 3.312 251 C HA 0.469 4.929 4.460 -0.001 0.000 0.332 251 C C -0.462 174.603 174.990 0.126 0.000 1.340 251 C CA -0.908 58.129 59.018 0.032 0.000 1.265 251 C CB 0.924 28.547 27.740 -0.195 0.000 1.563 251 C HN 1.033 nan 8.230 nan 0.000 0.471 252 H N 0.366 119.455 119.070 0.032 0.000 2.819 252 H HA -0.144 4.411 4.556 -0.001 0.000 0.315 252 H C 0.188 175.550 175.328 0.057 0.000 1.242 252 H CA 1.044 57.115 56.048 0.039 0.000 1.157 252 H CB -1.007 28.792 29.762 0.061 0.000 1.451 252 H HN 1.265 nan 8.280 nan 0.000 0.430 253 D N 0.599 121.083 120.400 0.140 0.000 2.697 253 D HA -0.239 4.401 4.640 -0.001 0.000 0.238 253 D C 0.209 176.544 176.300 0.059 0.000 1.152 253 D CA 1.556 55.594 54.000 0.063 0.000 0.666 253 D CB -0.524 40.304 40.800 0.047 0.000 1.037 253 D HN 0.714 nan 8.370 nan 0.000 0.423 254 R N -1.110 119.438 120.500 0.080 0.000 3.627 254 R HA -0.269 4.070 4.340 -0.001 0.000 0.281 254 R C 0.516 176.958 176.300 0.237 0.000 1.140 254 R CA 0.970 57.124 56.100 0.090 0.000 0.761 254 R CB -1.921 28.144 30.300 -0.392 0.000 1.181 254 R HN 0.533 nan 8.270 nan 0.000 0.472 255 N N 0.029 118.890 118.700 0.269 0.000 2.405 255 N HA 0.026 4.766 4.740 -0.001 0.000 0.175 255 N C 0.264 175.957 175.510 0.306 0.000 1.051 255 N CA 0.793 54.009 53.050 0.278 0.000 0.899 255 N CB 0.661 39.312 38.487 0.273 0.000 1.000 255 N HN -0.035 nan 8.380 nan 0.000 0.451 256 V N 1.006 121.090 119.914 0.284 0.000 2.735 256 V HA 0.473 4.592 4.120 -0.001 0.000 0.310 256 V C -0.392 175.767 176.094 0.107 0.000 1.061 256 V CA -0.831 61.567 62.300 0.163 0.000 0.913 256 V CB 2.649 34.470 31.823 -0.002 0.000 1.005 256 V HN -0.293 nan 8.190 nan 0.000 0.428 257 V N 2.908 122.790 119.914 -0.054 0.000 2.686 257 V HA 0.634 4.753 4.120 -0.001 0.000 0.306 257 V C -0.228 175.727 176.094 -0.231 0.000 1.065 257 V CA 0.033 62.145 62.300 -0.313 0.000 0.894 257 V CB 2.731 34.136 31.823 -0.697 0.000 1.004 257 V HN 1.048 nan 8.190 nan 0.000 0.424 258 T N 7.783 122.184 114.554 -0.255 0.000 2.829 258 T HA 0.651 5.001 4.350 -0.001 0.000 0.282 258 T C -0.352 174.277 174.700 -0.117 0.000 0.990 258 T CA -0.140 61.855 62.100 -0.175 0.000 1.028 258 T CB 0.979 69.730 68.868 -0.196 0.000 0.951 258 T HN 0.494 nan 8.240 nan 0.000 0.460 259 I N 3.227 123.772 120.570 -0.041 0.000 2.448 259 I HA 0.366 4.536 4.170 -0.001 0.000 0.281 259 I C -1.135 175.042 176.117 0.100 0.000 1.027 259 I CA -0.715 60.604 61.300 0.031 0.000 1.111 259 I CB 1.125 39.138 38.000 0.021 0.000 1.236 259 I HN 0.482 nan 8.210 nan 0.000 0.452 260 F N 4.538 124.422 119.950 -0.110 0.000 2.411 260 F HA 0.358 4.885 4.527 -0.001 0.000 0.352 260 F C 0.965 176.685 175.800 -0.133 0.000 1.123 260 F CA -0.087 57.825 58.000 -0.146 0.000 1.044 260 F CB 1.801 40.682 39.000 -0.198 0.000 1.135 260 F HN 0.317 nan 8.300 nan 0.000 0.461 261 S N 3.574 119.034 115.700 -0.401 0.000 2.554 261 S HA 0.354 4.824 4.470 -0.001 0.000 0.226 261 S C 0.335 174.744 174.600 -0.318 0.000 0.980 261 S CA -0.025 58.023 58.200 -0.253 0.000 0.939 261 S CB 0.158 63.325 63.200 -0.055 0.000 0.832 261 S HN 0.612 nan 8.310 nan 0.000 0.486 262 A N 4.044 126.497 122.820 -0.612 0.000 2.540 262 A HA 0.547 4.866 4.320 -0.001 0.000 0.340 262 A C -2.603 174.859 177.584 -0.204 0.000 1.424 262 A CA -1.849 49.966 52.037 -0.370 0.000 0.940 262 A CB 0.169 18.909 19.000 -0.434 0.000 1.149 262 A HN 0.116 nan 8.150 nan 0.000 0.505 263 P HA -0.010 nan 4.420 nan 0.000 0.269 263 P C 0.006 177.338 177.300 0.054 0.000 1.215 263 P CA 0.115 63.161 63.100 -0.090 0.000 0.780 263 P CB 0.331 31.948 31.700 -0.139 0.000 0.898 264 N N 1.054 119.802 118.700 0.080 0.000 2.650 264 N HA -0.268 4.472 4.740 -0.001 0.000 0.272 264 N C -0.940 174.649 175.510 0.131 0.000 1.058 264 N CA 0.474 53.593 53.050 0.116 0.000 0.765 264 N CB -1.972 36.592 38.487 0.129 0.000 0.902 264 N HN 0.497 nan 8.380 nan 0.000 0.551 265 Y N 2.045 122.349 120.300 0.007 0.000 2.810 265 Y HA -0.004 4.546 4.550 -0.001 0.000 0.332 265 Y C 1.733 177.541 175.900 -0.154 0.000 1.243 265 Y CA 0.458 58.532 58.100 -0.044 0.000 1.537 265 Y CB 0.186 38.720 38.460 0.123 0.000 1.265 265 Y HN 0.602 nan 8.280 nan 0.000 0.572 266 C N 4.090 123.002 119.300 -0.647 0.000 4.378 266 C HA -0.333 4.126 4.460 -0.001 0.000 0.279 266 C C 0.324 175.084 174.990 -0.383 0.000 1.481 266 C CA 0.883 59.492 59.018 -0.681 0.000 1.849 266 C CB -3.328 24.039 27.740 -0.622 0.000 1.542 266 C HN 1.155 nan 8.230 nan 0.000 0.743 267 Y N -2.308 117.980 120.300 -0.020 0.000 4.272 267 Y HA -0.344 4.205 4.550 -0.001 0.000 0.232 267 Y C 1.213 177.108 175.900 -0.009 0.000 1.149 267 Y CA 1.247 59.352 58.100 0.009 0.000 1.961 267 Y CB -1.830 36.630 38.460 0.000 0.000 1.611 267 Y HN 0.698 nan 8.280 nan 0.000 0.682 268 R N -2.922 117.610 120.500 0.054 0.000 2.646 268 R HA 0.247 4.587 4.340 -0.001 0.000 0.226 268 R C 1.423 177.738 176.300 0.025 0.000 0.928 268 R CA 0.600 56.718 56.100 0.031 0.000 1.010 268 R CB -0.415 29.879 30.300 -0.009 0.000 1.516 268 R HN 0.306 nan 8.270 nan 0.000 0.621 269 C N 1.209 120.529 119.300 0.034 0.000 2.435 269 C HA 0.146 4.606 4.460 -0.001 0.000 0.279 269 C C 1.780 176.795 174.990 0.042 0.000 1.321 269 C CA 1.141 60.188 59.018 0.047 0.000 1.752 269 C CB -0.810 26.994 27.740 0.106 0.000 1.959 269 C HN 0.872 nan 8.230 nan 0.000 0.500 270 G N 2.279 111.112 108.800 0.054 0.000 2.179 270 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.257 270 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.257 270 G C -0.098 174.818 174.900 0.027 0.000 1.010 270 G CA 0.508 45.633 45.100 0.041 0.000 0.736 270 G HN 0.766 nan 8.290 nan 0.000 0.513 271 N N -0.417 118.304 118.700 0.035 0.000 2.476 271 N HA 0.416 5.155 4.740 -0.001 0.000 0.275 271 N C 0.063 175.567 175.510 -0.011 0.000 1.190 271 N CA -0.569 52.486 53.050 0.008 0.000 0.977 271 N CB 1.040 39.538 38.487 0.018 0.000 1.200 271 N HN 0.460 nan 8.380 nan 0.000 0.515 272 Q N -0.402 119.371 119.800 -0.045 0.000 2.249 272 Q HA 0.619 4.958 4.340 -0.001 0.000 0.226 272 Q C -0.587 175.303 176.000 -0.184 0.000 0.983 272 Q CA -0.890 54.849 55.803 -0.108 0.000 0.930 272 Q CB 1.203 29.897 28.738 -0.073 0.000 1.193 272 Q HN 0.780 nan 8.270 nan 0.000 0.508 273 A N -0.045 122.498 122.820 -0.462 0.000 2.386 273 A HA 0.919 5.238 4.320 -0.001 0.000 0.308 273 A C -1.408 175.848 177.584 -0.547 0.000 1.128 273 A CA -0.223 51.435 52.037 -0.632 0.000 0.789 273 A CB 1.707 19.989 19.000 -1.196 0.000 1.325 273 A HN 0.704 nan 8.150 nan 0.000 0.437 274 A N -0.034 122.670 122.820 -0.193 0.000 2.593 274 A HA 0.836 5.155 4.320 -0.001 0.000 0.290 274 A C -0.944 176.753 177.584 0.188 0.000 1.126 274 A CA -0.216 51.880 52.037 0.099 0.000 0.695 274 A CB 0.906 20.002 19.000 0.160 0.000 1.290 274 A HN 1.818 nan 8.150 nan 0.000 0.414 275 I N -2.124 118.562 120.570 0.194 0.000 2.802 275 I HA 0.706 4.876 4.170 -0.001 0.000 0.298 275 I C -0.780 175.328 176.117 -0.015 0.000 1.176 275 I CA -0.844 60.511 61.300 0.091 0.000 1.025 275 I CB 2.307 40.361 38.000 0.089 0.000 1.243 275 I HN 0.741 nan 8.210 nan 0.000 0.424 276 M N 3.774 123.302 119.600 -0.120 0.000 2.167 276 M HA 0.443 4.923 4.480 -0.001 0.000 0.333 276 M C -0.953 175.172 176.300 -0.293 0.000 1.030 276 M CA -0.174 54.901 55.300 -0.374 0.000 0.963 276 M CB 1.394 33.756 32.600 -0.397 0.000 1.589 276 M HN 0.683 nan 8.290 nan 0.000 0.431 277 E N 4.960 124.968 120.200 -0.319 0.000 2.200 277 E HA 0.398 4.748 4.350 -0.001 0.000 0.283 277 E C -1.380 175.116 176.600 -0.173 0.000 1.015 277 E CA -0.325 55.949 56.400 -0.209 0.000 0.819 277 E CB 1.286 30.885 29.700 -0.169 0.000 1.081 277 E HN 0.674 nan 8.360 nan 0.000 0.397 278 L N 4.717 125.865 121.223 -0.125 0.000 2.316 278 L HA 0.243 4.583 4.340 -0.001 0.000 0.280 278 L C 0.042 176.868 176.870 -0.074 0.000 1.006 278 L CA -0.938 53.861 54.840 -0.069 0.000 0.836 278 L CB 0.825 42.859 42.059 -0.041 0.000 1.221 278 L HN 0.608 nan 8.230 nan 0.000 0.418 279 D N 0.311 120.670 120.400 -0.068 0.000 2.376 279 D HA -0.001 4.639 4.640 -0.001 0.000 0.268 279 D C 0.532 176.801 176.300 -0.053 0.000 1.252 279 D CA -0.357 53.602 54.000 -0.068 0.000 1.041 279 D CB 0.623 41.382 40.800 -0.067 0.000 1.109 279 D HN 0.374 nan 8.370 nan 0.000 0.552 280 D N -1.942 118.428 120.400 -0.050 0.000 2.311 280 D HA -0.055 4.584 4.640 -0.001 0.000 0.212 280 D C 0.688 176.969 176.300 -0.031 0.000 0.972 280 D CA 1.241 55.218 54.000 -0.039 0.000 0.887 280 D CB -0.230 40.548 40.800 -0.038 0.000 0.915 280 D HN 0.347 nan 8.370 nan 0.000 0.497 281 T N -0.027 114.506 114.554 -0.035 0.000 3.215 281 T HA 0.221 4.571 4.350 -0.001 0.000 0.271 281 T C 0.942 175.627 174.700 -0.026 0.000 1.012 281 T CA -0.356 61.726 62.100 -0.031 0.000 0.899 281 T CB 0.049 68.893 68.868 -0.039 0.000 1.089 281 T HN 0.106 nan 8.240 nan 0.000 0.552 282 L N 0.489 121.702 121.223 -0.016 0.000 4.137 282 L HA -0.239 4.101 4.340 -0.001 0.000 0.421 282 L C 0.151 177.021 176.870 0.000 0.000 1.162 282 L CA 0.936 55.781 54.840 0.009 0.000 0.978 282 L CB -0.899 41.180 42.059 0.033 0.000 1.957 282 L HN 0.359 nan 8.230 nan 0.000 0.978 283 K N 0.566 120.932 120.400 -0.056 0.000 2.234 283 K HA 0.373 4.693 4.320 -0.001 0.000 0.282 283 K C -0.224 176.306 176.600 -0.117 0.000 1.039 283 K CA -0.455 55.743 56.287 -0.149 0.000 0.928 283 K CB 0.842 33.254 32.500 -0.147 0.000 1.039 283 K HN 0.130 nan 8.250 nan 0.000 0.470 284 Y N -0.643 119.628 120.300 -0.049 0.000 2.387 284 Y HA 0.623 5.172 4.550 -0.001 0.000 0.330 284 Y C -0.312 175.464 175.900 -0.206 0.000 1.133 284 Y CA -1.343 56.659 58.100 -0.163 0.000 1.152 284 Y CB 1.310 39.679 38.460 -0.152 0.000 1.215 284 Y HN 0.482 nan 8.280 nan 0.000 0.466 285 S N 1.951 117.555 115.700 -0.160 0.000 2.541 285 S HA 0.747 5.217 4.470 -0.001 0.000 0.271 285 S C -1.580 172.708 174.600 -0.520 0.000 1.133 285 S CA -0.846 57.252 58.200 -0.170 0.000 0.876 285 S CB 1.008 64.160 63.200 -0.080 0.000 1.105 285 S HN 0.506 nan 8.310 nan 0.000 0.470 286 F N 1.000 120.895 119.950 -0.092 0.000 2.458 286 F HA 0.634 5.160 4.527 -0.001 0.000 0.330 286 F C -0.103 175.626 175.800 -0.118 0.000 1.082 286 F CA -0.990 56.840 58.000 -0.283 0.000 0.995 286 F CB 1.580 40.072 39.000 -0.848 0.000 1.170 286 F HN 0.421 nan 8.300 nan 0.000 0.478 287 L N 3.301 124.579 121.223 0.091 0.000 2.345 287 L HA 0.412 4.752 4.340 -0.001 0.000 0.274 287 L C -0.767 176.255 176.870 0.253 0.000 0.999 287 L CA -0.584 54.344 54.840 0.146 0.000 0.849 287 L CB 1.549 43.670 42.059 0.103 0.000 1.220 287 L HN 0.616 nan 8.230 nan 0.000 0.422 288 Q N 3.533 123.479 119.800 0.244 0.000 2.230 288 Q HA 0.680 5.020 4.340 -0.001 0.000 0.248 288 Q C -1.110 175.077 176.000 0.311 0.000 0.915 288 Q CA -0.392 55.547 55.803 0.228 0.000 0.900 288 Q CB 2.175 31.021 28.738 0.179 0.000 1.229 288 Q HN 0.474 nan 8.270 nan 0.000 0.439 289 F N -1.641 118.346 119.950 0.062 0.000 2.654 289 F HA 0.519 5.045 4.527 -0.001 0.000 0.308 289 F C -1.257 174.572 175.800 0.048 0.000 1.108 289 F CA -1.239 56.789 58.000 0.047 0.000 0.957 289 F CB 1.346 40.364 39.000 0.030 0.000 1.309 289 F HN 0.287 nan 8.300 nan 0.000 0.446 290 D N 1.977 122.513 120.400 0.226 0.000 2.437 290 D HA 0.348 4.988 4.640 -0.001 0.000 0.259 290 D C -2.605 173.829 176.300 0.224 0.000 1.118 290 D CA -1.100 52.973 54.000 0.121 0.000 1.017 290 D CB 1.344 42.206 40.800 0.105 0.000 1.120 290 D HN 0.330 nan 8.370 nan 0.000 0.541 291 P HA 0.094 nan 4.420 nan 0.000 0.268 291 P C -0.776 176.635 177.300 0.186 0.000 1.205 291 P CA -0.184 63.033 63.100 0.196 0.000 0.771 291 P CB 0.444 32.247 31.700 0.171 0.000 0.858 292 A N 5.677 128.611 122.820 0.189 0.000 2.445 292 A HA 0.402 4.722 4.320 -0.001 0.000 0.242 292 A C -1.206 176.444 177.584 0.111 0.000 1.075 292 A CA -0.820 51.299 52.037 0.136 0.000 0.777 292 A CB -1.287 17.787 19.000 0.123 0.000 1.013 292 A HN 0.512 nan 8.150 nan 0.000 0.493 293 P HA 0.000 nan 4.420 nan 0.000 0.216 293 P CA 0.000 63.131 63.100 0.051 0.000 0.800 293 P CB 0.000 31.725 31.700 0.042 0.000 0.726