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 1meh_1_A DATA FIRST_RESID 2 DATA SEQUENCE AKYYNEPCHT FNEYLLIPGL STVDcIPSNV NLSTPLVKFQ KGQQSEINLK DATA SEQUENCE IPLVSAIMQS VSGEKMAIAL AREGGISFIF GSQSIESQAA MVHAVKNFKA DATA SEQUENCE GFVVSXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX HNELVDSQKR YLVGAGINTR DFRERVPALV DATA SEQUENCE EAGADVLCID SSDGFSEWQK ITIGWIREKY GDKVKVGAGN IVDGEGFRYL DATA SEQUENCE ADAGADFIKI GIGGGSIXIT REQKGIGRGQ ATAVIDVVAE RNKYFEETGI DATA SEQUENCE YIPVCSDGGI VYDYHMTLAL AMGADFIMLG RYFARFEESP TRKVTINGSV DATA SEQUENCE MKEYWGEGSS RARNWXXXXX XXXXXXXXEE GVDSYVPYAG KLKDNVEASL DATA SEQUENCE NKVKSTMcNC GALTIPQLQS KAKITLVSSV SI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.376 177.584 -0.346 0.000 1.274 2 A CA 0.000 51.892 52.037 -0.241 0.000 0.836 2 A CB 0.000 18.788 19.000 -0.354 0.000 0.831 3 K N 1.251 121.404 120.400 -0.412 0.000 2.206 3 K HA 0.697 5.017 4.320 0.001 0.000 0.264 3 K C -1.570 174.698 176.600 -0.553 0.000 0.967 3 K CA -0.290 55.772 56.287 -0.375 0.000 0.844 3 K CB 0.666 33.002 32.500 -0.273 0.000 1.099 3 K HN 0.600 nan 8.250 nan 0.000 0.441 4 Y N 1.883 122.082 120.300 -0.167 0.000 2.631 4 Y HA 0.406 4.956 4.550 0.001 0.000 0.328 4 Y C -0.688 175.045 175.900 -0.278 0.000 1.118 4 Y CA -0.619 57.437 58.100 -0.074 0.000 1.206 4 Y CB 1.103 39.563 38.460 0.001 0.000 1.337 4 Y HN 0.427 nan 8.280 nan 0.000 0.515 5 Y N -0.651 119.756 120.300 0.179 0.000 2.524 5 Y HA 0.329 4.879 4.550 0.000 0.000 0.344 5 Y C 0.762 176.708 175.900 0.077 0.000 1.012 5 Y CA -1.218 56.938 58.100 0.093 0.000 1.068 5 Y CB 1.240 39.733 38.460 0.055 0.000 1.249 5 Y HN 0.567 nan 8.280 nan 0.000 0.468 6 N N 0.117 118.933 118.700 0.193 0.000 2.142 6 N HA -0.086 4.655 4.740 0.001 0.000 0.186 6 N C -0.414 175.165 175.510 0.115 0.000 1.023 6 N CA 0.870 53.993 53.050 0.121 0.000 0.852 6 N CB 0.270 38.813 38.487 0.093 0.000 0.998 6 N HN 0.516 nan 8.380 nan 0.000 0.424 7 E N 0.414 120.693 120.200 0.132 0.000 2.277 7 E HA 0.346 4.696 4.350 0.001 0.000 0.266 7 E C -2.292 174.324 176.600 0.026 0.000 0.901 7 E CA -1.807 54.647 56.400 0.090 0.000 0.782 7 E CB 1.364 31.135 29.700 0.119 0.000 1.228 7 E HN 0.076 nan 8.360 nan 0.000 0.424 8 P HA 0.208 nan 4.420 nan 0.000 0.276 8 P C -0.024 177.034 177.300 -0.403 0.000 1.244 8 P CA -0.445 62.543 63.100 -0.187 0.000 0.801 8 P CB 0.512 32.103 31.700 -0.182 0.000 1.006 9 C N 0.897 119.978 119.300 -0.365 0.000 2.520 9 C HA 0.567 5.027 4.460 0.001 0.000 0.376 9 C C 0.340 175.022 174.990 -0.513 0.000 1.268 9 C CA -0.597 58.206 59.018 -0.358 0.000 2.414 9 C CB -0.397 27.206 27.740 -0.227 0.000 2.521 9 C HN 0.575 nan 8.230 nan 0.000 0.618 10 H N 0.011 119.073 119.070 -0.015 0.000 2.797 10 H HA 0.622 5.178 4.556 0.001 0.000 0.372 10 H C 0.099 175.409 175.328 -0.031 0.000 1.168 10 H CA 0.035 56.084 56.048 0.001 0.000 1.163 10 H CB 1.990 31.786 29.762 0.057 0.000 1.778 10 H HN 0.920 nan 8.280 nan 0.000 0.551 11 T N -2.009 112.597 114.554 0.086 0.000 2.923 11 T HA 0.238 4.588 4.350 0.001 0.000 0.281 11 T C 1.049 175.753 174.700 0.007 0.000 0.995 11 T CA -0.620 61.425 62.100 -0.091 0.000 0.985 11 T CB 0.615 69.445 68.868 -0.063 0.000 1.114 11 T HN 0.226 nan 8.240 nan 0.000 0.548 12 F N 0.749 120.645 119.950 -0.089 0.000 2.216 12 F HA 0.053 4.580 4.527 0.000 0.000 0.300 12 F C 2.403 178.120 175.800 -0.137 0.000 1.085 12 F CA 0.920 58.769 58.000 -0.253 0.000 1.326 12 F CB -1.344 37.131 39.000 -0.875 0.000 1.027 12 F HN 0.634 nan 8.300 nan 0.000 0.497 13 N N -0.067 118.705 118.700 0.120 0.000 2.443 13 N HA -0.154 4.586 4.740 0.001 0.000 0.184 13 N C 1.023 176.684 175.510 0.252 0.000 1.037 13 N CA 0.650 53.907 53.050 0.345 0.000 0.896 13 N CB -0.162 38.517 38.487 0.320 0.000 0.959 13 N HN 0.427 nan 8.380 nan 0.000 0.442 14 E N -0.705 119.571 120.200 0.127 0.000 2.465 14 E HA 0.023 4.374 4.350 0.001 0.000 0.191 14 E C -0.744 175.661 176.600 -0.325 0.000 1.053 14 E CA 0.175 56.505 56.400 -0.117 0.000 0.869 14 E CB 0.358 29.902 29.700 -0.260 0.000 0.977 14 E HN 0.351 nan 8.360 nan 0.000 0.483 15 Y N -0.119 120.266 120.300 0.142 0.000 2.570 15 Y HA 0.548 5.098 4.550 0.001 0.000 0.345 15 Y C -0.153 175.866 175.900 0.199 0.000 1.014 15 Y CA -0.886 57.294 58.100 0.132 0.000 1.063 15 Y CB 1.629 40.169 38.460 0.133 0.000 1.272 15 Y HN -0.195 nan 8.280 nan 0.000 0.477 16 L N 2.294 123.696 121.223 0.298 0.000 2.469 16 L HA 0.537 4.877 4.340 0.001 0.000 0.256 16 L C -1.414 175.546 176.870 0.151 0.000 1.006 16 L CA -0.944 54.009 54.840 0.187 0.000 0.832 16 L CB 2.644 44.745 42.059 0.070 0.000 1.421 16 L HN 0.434 nan 8.230 nan 0.000 0.410 17 L N 2.347 123.632 121.223 0.103 0.000 2.309 17 L HA 0.523 4.863 4.340 0.001 0.000 0.282 17 L C -0.521 176.374 176.870 0.040 0.000 1.036 17 L CA -0.393 54.491 54.840 0.072 0.000 0.806 17 L CB 1.768 43.865 42.059 0.063 0.000 1.220 17 L HN 0.373 nan 8.230 nan 0.000 0.429 18 I N 4.092 124.684 120.570 0.036 0.000 2.331 18 I HA 0.287 4.458 4.170 0.001 0.000 0.292 18 I C -1.981 174.146 176.117 0.015 0.000 0.998 18 I CA -1.915 59.398 61.300 0.021 0.000 1.267 18 I CB 1.549 39.563 38.000 0.022 0.000 1.386 18 I HN 0.314 nan 8.210 nan 0.000 0.476 19 P HA 0.058 nan 4.420 nan 0.000 0.266 19 P C 0.022 177.325 177.300 0.006 0.000 1.193 19 P CA 0.002 63.105 63.100 0.005 0.000 0.770 19 P CB 0.608 32.308 31.700 -0.000 0.000 0.836 20 G N 1.073 109.876 108.800 0.006 0.000 3.075 20 G HA2 0.504 4.464 3.960 0.001 0.000 0.253 20 G HA3 0.504 4.464 3.960 0.001 0.000 0.253 20 G C -1.250 173.652 174.900 0.003 0.000 1.353 20 G CA -0.663 44.440 45.100 0.006 0.000 1.051 20 G HN 0.518 nan 8.290 nan 0.000 0.553 21 L N 0.977 122.202 121.223 0.003 0.000 2.418 21 L HA 0.468 4.808 4.340 0.001 0.000 0.274 21 L C 0.259 177.130 176.870 0.001 0.000 1.135 21 L CA -0.101 54.740 54.840 0.002 0.000 0.870 21 L CB 0.603 42.663 42.059 0.002 0.000 1.154 21 L HN 0.204 nan 8.230 nan 0.000 0.462 22 S N 3.215 118.914 115.700 -0.001 0.000 2.452 22 S HA 0.474 4.944 4.470 0.001 0.000 0.284 22 S C 0.071 174.670 174.600 -0.002 0.000 1.171 22 S CA -0.518 57.681 58.200 -0.001 0.000 1.064 22 S CB 0.578 63.777 63.200 -0.002 0.000 0.967 22 S HN 0.818 nan 8.310 nan 0.000 0.484 23 T N -0.716 113.837 114.554 -0.002 0.000 2.918 23 T HA 0.300 4.651 4.350 0.001 0.000 0.283 23 T C 1.729 176.427 174.700 -0.004 0.000 1.001 23 T CA -0.725 61.373 62.100 -0.003 0.000 1.041 23 T CB 0.931 69.797 68.868 -0.002 0.000 1.028 23 T HN 0.419 nan 8.240 nan 0.000 0.511 24 V N -0.626 119.286 119.914 -0.004 0.000 2.688 24 V HA -0.144 3.976 4.120 0.001 0.000 0.256 24 V C 1.763 177.854 176.094 -0.005 0.000 1.084 24 V CA 1.974 64.271 62.300 -0.005 0.000 1.103 24 V CB -1.508 30.312 31.823 -0.004 0.000 0.688 24 V HN 1.015 nan 8.190 nan 0.000 0.480 25 D N -0.952 119.445 120.400 -0.005 0.000 2.355 25 D HA -0.017 4.624 4.640 0.001 0.000 0.218 25 D C 0.872 177.168 176.300 -0.006 0.000 1.004 25 D CA 0.273 54.269 54.000 -0.006 0.000 0.880 25 D CB -0.437 40.360 40.800 -0.006 0.000 0.911 25 D HN 0.465 nan 8.370 nan 0.000 0.528 26 c N 2.106 120.703 118.600 -0.006 0.000 2.200 26 c HA 0.564 5.135 4.570 0.001 0.000 0.328 26 c C -0.080 174.006 174.090 -0.006 0.000 1.148 26 c CA -0.938 55.388 56.329 -0.005 0.000 1.624 26 c CB -2.038 40.469 42.510 -0.004 0.000 2.167 26 c HN 0.395 nan 8.230 nan 0.000 0.484 27 I N 3.767 124.333 120.570 -0.007 0.000 2.689 27 I HA 0.504 4.675 4.170 0.001 0.000 0.299 27 I C -2.127 173.986 176.117 -0.007 0.000 1.059 27 I CA -2.570 58.726 61.300 -0.007 0.000 1.055 27 I CB 1.488 39.483 38.000 -0.008 0.000 1.243 27 I HN 0.117 nan 8.210 nan 0.000 0.425 28 P HA -0.261 nan 4.420 nan 0.000 0.219 28 P C 1.646 178.942 177.300 -0.007 0.000 1.158 28 P CA 2.446 65.543 63.100 -0.005 0.000 0.895 28 P CB 0.035 31.733 31.700 -0.004 0.000 0.792 29 S N -2.154 113.540 115.700 -0.010 0.000 2.442 29 S HA -0.099 4.371 4.470 0.001 0.000 0.236 29 S C 1.626 176.217 174.600 -0.015 0.000 1.007 29 S CA 1.059 59.251 58.200 -0.013 0.000 0.965 29 S CB -0.976 62.215 63.200 -0.017 0.000 0.773 29 S HN 0.122 nan 8.310 nan 0.000 0.504 30 N N 0.981 119.674 118.700 -0.013 0.000 2.336 30 N HA 0.205 4.945 4.740 0.001 0.000 0.189 30 N C -0.335 175.168 175.510 -0.011 0.000 1.113 30 N CA 0.091 53.133 53.050 -0.013 0.000 0.858 30 N CB 0.355 38.835 38.487 -0.012 0.000 0.970 30 N HN 0.270 nan 8.380 nan 0.000 0.471 31 V N 2.320 122.229 119.914 -0.009 0.000 2.508 31 V HA 0.054 4.174 4.120 0.001 0.000 0.281 31 V C 0.478 176.568 176.094 -0.007 0.000 1.041 31 V CA -0.548 61.748 62.300 -0.007 0.000 1.016 31 V CB 0.919 32.739 31.823 -0.004 0.000 0.984 31 V HN 0.157 nan 8.190 nan 0.000 0.478 32 N N 5.014 123.709 118.700 -0.007 0.000 2.437 32 N HA 0.313 5.053 4.740 0.001 0.000 0.259 32 N C -0.002 175.506 175.510 -0.004 0.000 0.983 32 N CA -0.336 52.710 53.050 -0.008 0.000 0.937 32 N CB 1.335 39.815 38.487 -0.012 0.000 1.122 32 N HN 0.630 nan 8.380 nan 0.000 0.499 33 L N 1.483 122.706 121.223 -0.000 0.000 2.741 33 L HA 0.185 4.525 4.340 0.001 0.000 0.237 33 L C 1.076 177.950 176.870 0.007 0.000 1.178 33 L CA -0.212 54.631 54.840 0.006 0.000 0.973 33 L CB -0.246 41.818 42.059 0.009 0.000 1.255 33 L HN 0.422 nan 8.230 nan 0.000 0.498 34 S N 0.034 115.733 115.700 -0.002 0.000 2.573 34 S HA 0.225 4.696 4.470 0.001 0.000 0.277 34 S C 0.109 174.712 174.600 0.005 0.000 1.346 34 S CA 0.333 58.528 58.200 -0.008 0.000 1.034 34 S CB 0.766 63.953 63.200 -0.021 0.000 0.879 34 S HN 0.266 nan 8.310 nan 0.000 0.528 35 T N 4.187 118.745 114.554 0.008 0.000 2.957 35 T HA 0.522 4.872 4.350 0.001 0.000 0.336 35 T C -3.139 171.592 174.700 0.051 0.000 1.462 35 T CA -1.220 60.911 62.100 0.052 0.000 1.073 35 T CB 1.740 70.671 68.868 0.105 0.000 1.319 35 T HN 0.543 nan 8.240 nan 0.000 0.485 36 P HA 0.262 nan 4.420 nan 0.000 0.275 36 P C 0.143 177.551 177.300 0.180 0.000 1.227 36 P CA -0.422 62.785 63.100 0.178 0.000 0.781 36 P CB 1.375 33.309 31.700 0.390 0.000 0.906 37 L N 4.403 125.660 121.223 0.057 0.000 2.388 37 L HA 0.135 4.476 4.340 0.001 0.000 0.209 37 L C 0.502 177.490 176.870 0.197 0.000 1.061 37 L CA 0.997 55.765 54.840 -0.120 0.000 0.834 37 L CB 0.255 42.148 42.059 -0.277 0.000 1.029 37 L HN 0.296 nan 8.230 nan 0.000 0.473 38 V N -2.019 118.069 119.914 0.290 0.000 2.864 38 V HA 0.441 4.561 4.120 0.001 0.000 0.314 38 V C -0.340 176.006 176.094 0.420 0.000 1.073 38 V CA -1.167 61.356 62.300 0.372 0.000 0.956 38 V CB 1.276 33.275 31.823 0.294 0.000 1.023 38 V HN 0.364 nan 8.190 nan 0.000 0.435 39 K N 2.353 122.946 120.400 0.323 0.000 2.440 39 K HA 0.418 4.739 4.320 0.001 0.000 0.270 39 K C -0.730 176.072 176.600 0.337 0.000 0.980 39 K CA 0.154 56.581 56.287 0.232 0.000 0.953 39 K CB 0.261 32.837 32.500 0.127 0.000 0.925 39 K HN 0.968 nan 8.250 nan 0.000 0.497 40 F N -2.472 117.626 119.950 0.247 0.000 2.711 40 F HA 0.358 4.885 4.527 0.000 0.000 0.313 40 F C -1.078 174.872 175.800 0.250 0.000 1.141 40 F CA -1.528 56.593 58.000 0.203 0.000 0.941 40 F CB 0.962 40.059 39.000 0.161 0.000 1.349 40 F HN 0.281 nan 8.300 nan 0.000 0.464 41 Q N 1.310 121.346 119.800 0.393 0.000 2.260 41 Q HA 0.231 4.571 4.340 0.001 0.000 0.238 41 Q C -0.629 175.630 176.000 0.432 0.000 0.948 41 Q CA -0.846 55.139 55.803 0.303 0.000 0.895 41 Q CB 1.668 30.529 28.738 0.204 0.000 1.218 41 Q HN 0.790 nan 8.270 nan 0.000 0.470 42 K N -0.163 120.465 120.400 0.381 0.000 2.511 42 K HA 0.025 4.345 4.320 0.001 0.000 0.280 42 K C 0.716 177.494 176.600 0.298 0.000 1.008 42 K CA 1.270 57.816 56.287 0.432 0.000 1.050 42 K CB -0.219 32.404 32.500 0.205 0.000 0.889 42 K HN 0.801 nan 8.250 nan 0.000 0.484 43 G N 2.440 111.415 108.800 0.292 0.000 2.241 43 G HA2 -0.283 3.677 3.960 0.001 0.000 0.244 43 G HA3 -0.283 3.677 3.960 0.001 0.000 0.244 43 G C 0.000 174.976 174.900 0.126 0.000 0.998 43 G CA 0.352 45.553 45.100 0.168 0.000 0.621 43 G HN 0.656 nan 8.290 nan 0.000 0.519 44 Q N -0.329 119.590 119.800 0.198 0.000 2.171 44 Q HA 0.674 5.014 4.340 0.001 0.000 0.217 44 Q C -0.134 175.733 176.000 -0.221 0.000 0.995 44 Q CA -0.571 55.277 55.803 0.074 0.000 0.979 44 Q CB 0.604 29.456 28.738 0.189 0.000 1.152 44 Q HN 0.252 nan 8.270 nan 0.000 0.525 45 Q N 0.230 119.832 119.800 -0.331 0.000 2.348 45 Q HA 0.327 4.668 4.340 0.001 0.000 0.271 45 Q C -0.827 174.812 176.000 -0.601 0.000 1.067 45 Q CA -0.405 55.051 55.803 -0.578 0.000 0.839 45 Q CB 2.159 30.726 28.738 -0.286 0.000 1.354 45 Q HN 0.593 nan 8.270 nan 0.000 0.447 46 S N 0.499 115.773 115.700 -0.709 0.000 2.572 46 S HA 0.013 4.483 4.470 0.001 0.000 0.279 46 S C 0.883 175.448 174.600 -0.059 0.000 1.341 46 S CA 0.035 58.124 58.200 -0.184 0.000 1.043 46 S CB 0.459 63.679 63.200 0.034 0.000 0.887 46 S HN 0.487 nan 8.310 nan 0.000 0.516 47 E N 2.306 122.533 120.200 0.045 0.000 2.268 47 E HA 0.043 4.393 4.350 0.001 0.000 0.195 47 E C -0.212 176.395 176.600 0.012 0.000 0.995 47 E CA 0.805 57.222 56.400 0.029 0.000 0.836 47 E CB 0.052 29.789 29.700 0.061 0.000 0.763 47 E HN 0.579 nan 8.360 nan 0.000 0.491 48 I N 1.570 122.154 120.570 0.023 0.000 2.468 48 I HA 0.230 4.401 4.170 0.001 0.000 0.285 48 I C -0.784 175.315 176.117 -0.029 0.000 1.039 48 I CA -0.642 60.654 61.300 -0.007 0.000 1.074 48 I CB 1.600 39.599 38.000 -0.002 0.000 1.228 48 I HN -0.112 nan 8.210 nan 0.000 0.436 49 N N 7.393 126.062 118.700 -0.052 0.000 2.354 49 N HA 0.525 5.265 4.740 0.001 0.000 0.287 49 N C -0.773 174.693 175.510 -0.075 0.000 1.016 49 N CA -0.601 52.413 53.050 -0.060 0.000 0.871 49 N CB 2.779 41.230 38.487 -0.060 0.000 1.299 49 N HN 0.381 nan 8.380 nan 0.000 0.482 50 L N 1.773 122.936 121.223 -0.099 0.000 2.436 50 L HA 0.242 4.582 4.340 0.001 0.000 0.265 50 L C 1.706 178.546 176.870 -0.050 0.000 1.168 50 L CA -0.155 54.625 54.840 -0.099 0.000 0.815 50 L CB 0.879 42.852 42.059 -0.143 0.000 1.109 50 L HN 0.392 nan 8.230 nan 0.000 0.462 51 K N 1.944 122.323 120.400 -0.034 0.000 2.323 51 K HA 0.216 4.536 4.320 0.001 0.000 0.197 51 K C 0.067 176.666 176.600 -0.002 0.000 1.043 51 K CA 0.561 56.840 56.287 -0.013 0.000 0.997 51 K CB 0.270 32.768 32.500 -0.002 0.000 0.807 51 K HN 0.540 nan 8.250 nan 0.000 0.497 52 I N -2.490 118.080 120.570 -0.000 0.000 2.686 52 I HA 0.325 4.496 4.170 0.001 0.000 0.295 52 I C -2.636 173.497 176.117 0.026 0.000 1.114 52 I CA -2.674 58.637 61.300 0.019 0.000 1.038 52 I CB 2.513 40.534 38.000 0.034 0.000 1.238 52 I HN -0.247 nan 8.210 nan 0.000 0.420 53 P HA 0.192 nan 4.420 nan 0.000 0.258 53 P C -0.641 176.741 177.300 0.136 0.000 1.559 53 P CA 0.279 63.438 63.100 0.099 0.000 0.855 53 P CB -0.114 31.643 31.700 0.096 0.000 1.594 54 L N 0.588 121.885 121.223 0.123 0.000 2.341 54 L HA 0.570 4.910 4.340 0.001 0.000 0.278 54 L C 0.281 177.274 176.870 0.205 0.000 1.005 54 L CA -1.204 53.757 54.840 0.202 0.000 0.818 54 L CB 2.422 44.637 42.059 0.260 0.000 1.259 54 L HN -0.209 nan 8.230 nan 0.000 0.418 55 V N -0.240 119.830 119.914 0.260 0.000 2.789 55 V HA 0.725 4.845 4.120 0.001 0.000 0.311 55 V C 0.031 176.229 176.094 0.174 0.000 1.073 55 V CA -0.612 61.795 62.300 0.178 0.000 0.921 55 V CB 1.850 33.859 31.823 0.310 0.000 1.009 55 V HN 0.812 nan 8.190 nan 0.000 0.426 56 S N 3.481 119.119 115.700 -0.103 0.000 2.562 56 S HA 0.810 5.281 4.470 0.001 0.000 0.275 56 S C 0.480 175.157 174.600 0.129 0.000 1.281 56 S CA -0.069 58.032 58.200 -0.164 0.000 1.045 56 S CB 1.248 64.095 63.200 -0.587 0.000 0.962 56 S HN 2.164 nan 8.310 nan 0.000 0.503 57 A N 2.575 125.501 122.820 0.177 0.000 2.520 57 A HA 0.318 4.638 4.320 0.001 0.000 0.235 57 A C 0.620 178.294 177.584 0.150 0.000 1.065 57 A CA -0.497 51.636 52.037 0.161 0.000 0.764 57 A CB -0.502 18.593 19.000 0.158 0.000 1.002 57 A HN 0.909 nan 8.150 nan 0.000 0.502 58 I N 2.194 122.848 120.570 0.141 0.000 2.280 58 I HA 0.080 4.250 4.170 0.001 0.000 0.287 58 I C -0.156 176.037 176.117 0.127 0.000 1.121 58 I CA 0.665 62.067 61.300 0.170 0.000 1.798 58 I CB -1.137 36.946 38.000 0.138 0.000 1.489 58 I HN 0.512 nan 8.210 nan 0.000 0.805 59 M N 1.822 121.466 119.600 0.073 0.000 2.518 59 M HA 0.309 4.789 4.480 0.001 0.000 0.300 59 M C 0.723 176.789 176.300 -0.389 0.000 1.175 59 M CA -0.572 54.663 55.300 -0.108 0.000 0.890 59 M CB 2.577 35.085 32.600 -0.153 0.000 1.710 59 M HN 0.206 nan 8.290 nan 0.000 0.453 60 Q N 0.372 119.739 119.800 -0.721 0.000 2.135 60 Q HA -0.126 4.214 4.340 0.001 0.000 0.204 60 Q C 1.519 176.955 176.000 -0.940 0.000 0.981 60 Q CA 1.916 56.876 55.803 -1.404 0.000 0.856 60 Q CB -0.194 28.144 28.738 -0.667 0.000 0.902 60 Q HN 0.857 nan 8.270 nan 0.000 0.425 61 S N -1.174 113.946 115.700 -0.966 0.000 2.671 61 S HA 0.154 4.624 4.470 0.001 0.000 0.220 61 S C 1.196 175.578 174.600 -0.363 0.000 0.951 61 S CA -0.125 57.535 58.200 -0.901 0.000 0.932 61 S CB 0.548 62.830 63.200 -1.530 0.000 0.777 61 S HN 0.104 nan 8.310 nan 0.000 0.508 62 V N -0.372 119.392 119.914 -0.250 0.000 3.629 62 V HA 0.273 4.393 4.120 0.001 0.000 0.194 62 V C 0.515 176.599 176.094 -0.018 0.000 1.343 62 V CA 0.178 62.437 62.300 -0.068 0.000 1.292 62 V CB -0.083 31.752 31.823 0.019 0.000 1.287 62 V HN 0.374 nan 8.190 nan 0.000 0.554 63 S N 1.916 117.636 115.700 0.032 0.000 3.170 63 S HA 0.628 5.099 4.470 0.001 0.000 0.257 63 S C 0.298 175.039 174.600 0.235 0.000 1.284 63 S CA 0.093 58.353 58.200 0.101 0.000 0.973 63 S CB 0.380 63.653 63.200 0.121 0.000 1.330 63 S HN 0.607 nan 8.310 nan 0.000 0.493 64 G N 1.541 110.436 108.800 0.158 0.000 2.705 64 G HA2 0.404 4.364 3.960 0.001 0.000 0.299 64 G HA3 0.404 4.364 3.960 0.001 0.000 0.299 64 G C 0.911 175.841 174.900 0.050 0.000 1.315 64 G CA -0.684 44.533 45.100 0.195 0.000 1.045 64 G HN 0.442 nan 8.290 nan 0.000 0.517 65 E N 0.397 120.612 120.200 0.026 0.000 2.070 65 E HA -0.253 4.097 4.350 0.001 0.000 0.197 65 E C 1.920 178.461 176.600 -0.098 0.000 1.004 65 E CA 1.568 57.946 56.400 -0.035 0.000 0.805 65 E CB -0.425 29.270 29.700 -0.009 0.000 0.744 65 E HN 0.503 nan 8.360 nan 0.000 0.451 66 K N 0.998 121.355 120.400 -0.071 0.000 2.097 66 K HA -0.119 4.201 4.320 0.001 0.000 0.206 66 K C 2.126 178.649 176.600 -0.128 0.000 1.049 66 K CA 1.535 57.753 56.287 -0.115 0.000 0.933 66 K CB -0.809 31.664 32.500 -0.045 0.000 0.717 66 K HN 0.190 nan 8.250 nan 0.000 0.442 67 M N 2.005 121.560 119.600 -0.076 0.000 2.086 67 M HA 0.022 4.502 4.480 0.001 0.000 0.261 67 M C 2.271 178.470 176.300 -0.168 0.000 1.067 67 M CA 1.935 57.185 55.300 -0.084 0.000 1.116 67 M CB -0.677 31.891 32.600 -0.053 0.000 1.348 67 M HN 0.237 nan 8.290 nan 0.000 0.407 68 A N 0.067 122.785 122.820 -0.171 0.000 1.908 68 A HA -0.147 4.173 4.320 0.001 0.000 0.218 68 A C 2.213 179.618 177.584 -0.298 0.000 1.181 68 A CA 2.131 54.041 52.037 -0.211 0.000 0.627 68 A CB -1.158 17.743 19.000 -0.165 0.000 0.818 68 A HN 0.629 nan 8.150 nan 0.000 0.445 69 I N -0.561 119.789 120.570 -0.368 0.000 2.233 69 I HA -0.212 3.958 4.170 0.001 0.000 0.243 69 I C 2.967 178.736 176.117 -0.580 0.000 1.093 69 I CA 0.960 61.893 61.300 -0.611 0.000 1.380 69 I CB -0.335 37.219 38.000 -0.743 0.000 1.067 69 I HN 0.339 nan 8.210 nan 0.000 0.413 70 A N 0.640 123.239 122.820 -0.368 0.000 1.902 70 A HA -0.206 4.115 4.320 0.001 0.000 0.217 70 A C 2.230 179.686 177.584 -0.214 0.000 1.181 70 A CA 1.527 53.408 52.037 -0.260 0.000 0.623 70 A CB -0.738 18.169 19.000 -0.155 0.000 0.818 70 A HN 0.371 nan 8.150 nan 0.000 0.443 71 L N -0.350 120.752 121.223 -0.202 0.000 2.072 71 L HA 0.063 4.404 4.340 0.001 0.000 0.205 71 L C 2.645 179.416 176.870 -0.164 0.000 1.079 71 L CA 2.049 56.800 54.840 -0.149 0.000 0.752 71 L CB -0.961 40.964 42.059 -0.223 0.000 0.906 71 L HN 0.327 nan 8.230 nan 0.000 0.436 72 A N -0.437 122.236 122.820 -0.246 0.000 1.933 72 A HA -0.223 4.097 4.320 0.001 0.000 0.218 72 A C 2.404 179.888 177.584 -0.167 0.000 1.175 72 A CA 1.680 53.596 52.037 -0.203 0.000 0.628 72 A CB -0.561 18.296 19.000 -0.238 0.000 0.814 72 A HN 0.497 nan 8.150 nan 0.000 0.444 73 R N -0.463 119.857 120.500 -0.300 0.000 2.152 73 R HA -0.080 4.260 4.340 0.001 0.000 0.232 73 R C 1.049 177.318 176.300 -0.052 0.000 1.117 73 R CA 1.249 57.253 56.100 -0.160 0.000 0.981 73 R CB -0.058 30.111 30.300 -0.219 0.000 0.870 73 R HN 0.446 nan 8.270 nan 0.000 0.451 74 E N -1.031 119.133 120.200 -0.059 0.000 2.479 74 E HA 0.096 4.446 4.350 0.001 0.000 0.193 74 E C 1.014 177.616 176.600 0.004 0.000 1.049 74 E CA 0.597 56.989 56.400 -0.014 0.000 0.870 74 E CB 1.143 30.841 29.700 -0.002 0.000 0.944 74 E HN 0.514 nan 8.360 nan 0.000 0.492 75 G N 0.445 109.240 108.800 -0.008 0.000 2.184 75 G HA2 -0.189 3.772 3.960 0.001 0.000 0.206 75 G HA3 -0.189 3.772 3.960 0.001 0.000 0.206 75 G C 0.634 175.518 174.900 -0.026 0.000 0.995 75 G CA -0.108 44.988 45.100 -0.006 0.000 0.651 75 G HN 0.538 nan 8.290 nan 0.000 0.511 76 G N -0.874 107.905 108.800 -0.035 0.000 2.671 76 G HA2 0.773 4.733 3.960 0.001 0.000 0.275 76 G HA3 0.773 4.733 3.960 0.001 0.000 0.275 76 G C -0.635 174.192 174.900 -0.121 0.000 1.368 76 G CA -0.390 44.677 45.100 -0.055 0.000 1.044 76 G HN 0.947 nan 8.290 nan 0.000 0.543 77 I N -0.983 119.492 120.570 -0.158 0.000 2.802 77 I HA 0.501 4.671 4.170 0.001 0.000 0.298 77 I C -0.683 175.274 176.117 -0.266 0.000 1.176 77 I CA -0.616 60.537 61.300 -0.245 0.000 1.025 77 I CB 2.311 40.114 38.000 -0.329 0.000 1.243 77 I HN 0.442 nan 8.210 nan 0.000 0.424 78 S N 5.291 120.805 115.700 -0.311 0.000 2.549 78 S HA 0.586 5.056 4.470 0.001 0.000 0.297 78 S C -0.966 173.449 174.600 -0.307 0.000 1.115 78 S CA -0.313 57.749 58.200 -0.230 0.000 1.059 78 S CB 1.180 64.262 63.200 -0.197 0.000 1.046 78 S HN 0.346 nan 8.310 nan 0.000 0.506 79 F N 2.667 122.603 119.950 -0.022 0.000 2.293 79 F HA 0.384 4.911 4.527 0.000 0.000 0.370 79 F C 0.284 176.106 175.800 0.037 0.000 1.090 79 F CA -0.892 57.124 58.000 0.027 0.000 1.133 79 F CB 0.402 39.451 39.000 0.081 0.000 1.360 79 F HN 0.334 nan 8.300 nan 0.000 0.489 80 I N 4.632 125.251 120.570 0.081 0.000 2.906 80 I HA -0.195 3.975 4.170 0.001 0.000 0.301 80 I C 0.545 176.696 176.117 0.057 0.000 1.221 80 I CA 0.055 61.376 61.300 0.034 0.000 1.435 80 I CB -0.908 37.032 38.000 -0.100 0.000 1.345 80 I HN 0.339 nan 8.210 nan 0.000 0.558 81 F N 4.050 124.004 119.950 0.008 0.000 2.602 81 F HA 0.414 4.942 4.527 0.001 0.000 0.367 81 F C 1.258 177.024 175.800 -0.056 0.000 1.126 81 F CA -0.914 57.079 58.000 -0.013 0.000 1.321 81 F CB -0.154 38.822 39.000 -0.041 0.000 1.094 81 F HN 0.510 nan 8.300 nan 0.000 0.594 82 G N 0.678 109.499 108.800 0.034 0.000 3.126 82 G HA2 0.059 4.019 3.960 0.001 0.000 0.224 82 G HA3 0.059 4.019 3.960 0.001 0.000 0.224 82 G C 0.289 175.073 174.900 -0.194 0.000 1.142 82 G CA 0.241 45.282 45.100 -0.098 0.000 0.759 82 G HN 0.830 nan 8.290 nan 0.000 0.550 83 S N 0.543 116.198 115.700 -0.075 0.000 3.697 83 S HA 0.451 4.921 4.470 0.001 0.000 0.207 83 S C 0.144 174.188 174.600 -0.926 0.000 1.459 83 S CA -0.600 57.409 58.200 -0.317 0.000 1.122 83 S CB -0.453 62.803 63.200 0.094 0.000 1.311 83 S HN 0.694 nan 8.310 nan 0.000 0.487 84 Q N -0.744 118.204 119.800 -1.420 0.000 2.738 84 Q HA 0.515 4.855 4.340 0.001 0.000 0.301 84 Q C -0.936 174.428 176.000 -1.060 0.000 0.901 84 Q CA -1.160 53.994 55.803 -1.081 0.000 0.756 84 Q CB 0.372 28.843 28.738 -0.444 0.000 1.463 84 Q HN 0.313 nan 8.270 nan 0.000 0.432 85 S N -0.152 115.325 115.700 -0.371 0.000 2.573 85 S HA 0.180 4.650 4.470 0.001 0.000 0.277 85 S C 1.174 175.712 174.600 -0.103 0.000 1.346 85 S CA -0.447 57.725 58.200 -0.046 0.000 1.034 85 S CB 0.107 63.358 63.200 0.085 0.000 0.879 85 S HN 0.621 nan 8.310 nan 0.000 0.528 86 I N 1.223 121.797 120.570 0.006 0.000 2.208 86 I HA -0.203 3.967 4.170 0.001 0.000 0.245 86 I C 2.456 178.556 176.117 -0.028 0.000 1.097 86 I CA 1.701 62.996 61.300 -0.008 0.000 1.363 86 I CB -0.531 37.494 38.000 0.040 0.000 1.051 86 I HN 0.663 nan 8.210 nan 0.000 0.413 87 E N 0.297 120.491 120.200 -0.009 0.000 2.077 87 E HA -0.200 4.150 4.350 0.001 0.000 0.193 87 E C 2.294 178.868 176.600 -0.042 0.000 0.989 87 E CA 1.472 57.862 56.400 -0.015 0.000 0.800 87 E CB -0.423 29.278 29.700 0.002 0.000 0.746 87 E HN 0.270 nan 8.360 nan 0.000 0.452 88 S N -0.048 115.614 115.700 -0.062 0.000 2.356 88 S HA -0.249 4.221 4.470 0.001 0.000 0.223 88 S C 2.054 176.562 174.600 -0.153 0.000 1.032 88 S CA 1.683 59.828 58.200 -0.091 0.000 1.005 88 S CB -0.164 62.977 63.200 -0.099 0.000 0.867 88 S HN 0.349 nan 8.310 nan 0.000 0.449 89 Q N 0.111 119.783 119.800 -0.214 0.000 2.079 89 Q HA -0.036 4.304 4.340 0.001 0.000 0.200 89 Q C 2.176 178.093 176.000 -0.139 0.000 0.974 89 Q CA 1.382 57.026 55.803 -0.264 0.000 0.840 89 Q CB -0.477 28.087 28.738 -0.289 0.000 0.898 89 Q HN 0.653 nan 8.270 nan 0.000 0.430 90 A N 0.749 123.523 122.820 -0.078 0.000 1.933 90 A HA -0.111 4.209 4.320 0.001 0.000 0.218 90 A C 2.259 179.847 177.584 0.007 0.000 1.175 90 A CA 1.590 53.615 52.037 -0.020 0.000 0.628 90 A CB -0.868 18.132 19.000 -0.001 0.000 0.814 90 A HN 0.563 nan 8.150 nan 0.000 0.444 91 A N -0.444 122.365 122.820 -0.020 0.000 1.902 91 A HA -0.121 4.199 4.320 0.001 0.000 0.217 91 A C 2.252 179.856 177.584 0.034 0.000 1.181 91 A CA 1.788 53.827 52.037 0.002 0.000 0.623 91 A CB -0.528 18.460 19.000 -0.021 0.000 0.818 91 A HN 0.537 nan 8.150 nan 0.000 0.443 92 M N -0.820 118.768 119.600 -0.019 0.000 2.117 92 M HA -0.125 4.356 4.480 0.001 0.000 0.262 92 M C 2.131 178.432 176.300 0.002 0.000 1.065 92 M CA 1.329 56.617 55.300 -0.020 0.000 1.114 92 M CB -0.492 32.053 32.600 -0.090 0.000 1.361 92 M HN 0.256 nan 8.290 nan 0.000 0.408 93 V N -0.337 119.573 119.914 -0.006 0.000 2.261 93 V HA -0.321 3.799 4.120 0.001 0.000 0.246 93 V C 2.503 178.624 176.094 0.045 0.000 1.047 93 V CA 2.056 64.357 62.300 0.001 0.000 1.015 93 V CB -1.085 30.736 31.823 -0.003 0.000 0.642 93 V HN 0.519 nan 8.190 nan 0.000 0.446 94 H N 0.540 119.608 119.070 -0.004 0.000 2.352 94 H HA -0.172 4.384 4.556 0.001 0.000 0.299 94 H C 2.266 177.618 175.328 0.041 0.000 1.097 94 H CA 2.020 58.078 56.048 0.016 0.000 1.311 94 H CB -0.039 29.731 29.762 0.014 0.000 1.377 94 H HN 0.396 nan 8.280 nan 0.000 0.504 95 A N 0.355 123.293 122.820 0.196 0.000 1.940 95 A HA -0.115 4.205 4.320 0.001 0.000 0.219 95 A C 2.889 180.563 177.584 0.150 0.000 1.176 95 A CA 1.716 53.860 52.037 0.178 0.000 0.631 95 A CB -0.824 18.261 19.000 0.143 0.000 0.814 95 A HN 0.304 nan 8.150 nan 0.000 0.446 96 V N 0.268 120.228 119.914 0.077 0.000 2.323 96 V HA -0.182 3.939 4.120 0.001 0.000 0.244 96 V C 2.416 178.577 176.094 0.112 0.000 1.041 96 V CA 1.960 64.301 62.300 0.069 0.000 1.025 96 V CB -0.553 31.264 31.823 -0.009 0.000 0.656 96 V HN 0.396 nan 8.190 nan 0.000 0.451 97 K N 0.786 121.195 120.400 0.014 0.000 2.147 97 K HA -0.093 4.227 4.320 0.001 0.000 0.205 97 K C 1.050 177.614 176.600 -0.059 0.000 1.049 97 K CA 1.179 57.442 56.287 -0.040 0.000 0.936 97 K CB -0.503 31.927 32.500 -0.117 0.000 0.722 97 K HN 0.486 nan 8.250 nan 0.000 0.446 98 N N -0.187 118.474 118.700 -0.065 0.000 2.328 98 N HA 0.076 4.816 4.740 0.001 0.000 0.247 98 N C 0.476 176.025 175.510 0.066 0.000 1.165 98 N CA -0.193 52.826 53.050 -0.052 0.000 0.873 98 N CB -0.001 38.397 38.487 -0.149 0.000 1.125 98 N HN -0.021 nan 8.380 nan 0.000 0.513 99 F N 1.522 121.471 119.950 -0.001 0.000 2.186 99 F HA 0.022 4.549 4.527 0.000 0.000 0.299 99 F C 1.550 177.361 175.800 0.019 0.000 1.090 99 F CA 1.382 59.410 58.000 0.046 0.000 1.307 99 F CB 0.317 39.405 39.000 0.147 0.000 1.019 99 F HN -0.070 nan 8.300 nan 0.000 0.489 100 K N 0.578 120.954 120.400 -0.040 0.000 2.486 100 K HA 0.177 4.497 4.320 0.001 0.000 0.194 100 K C 0.819 177.328 176.600 -0.152 0.000 1.033 100 K CA 0.275 56.472 56.287 -0.149 0.000 1.004 100 K CB -0.275 32.148 32.500 -0.128 0.000 0.798 100 K HN 0.215 nan 8.250 nan 0.000 0.495 101 A N 0.940 123.687 122.820 -0.122 0.000 2.483 101 A HA 0.287 4.607 4.320 0.001 0.000 0.238 101 A C 1.103 178.624 177.584 -0.105 0.000 1.070 101 A CA 0.442 52.432 52.037 -0.077 0.000 0.770 101 A CB 0.355 19.332 19.000 -0.038 0.000 1.008 101 A HN 0.329 nan 8.150 nan 0.000 0.497 102 G N 0.526 109.301 108.800 -0.040 0.000 2.548 102 G HA2 0.387 4.347 3.960 0.001 0.000 0.221 102 G HA3 0.387 4.347 3.960 0.001 0.000 0.221 102 G C -0.188 174.638 174.900 -0.124 0.000 1.796 102 G CA -0.327 44.722 45.100 -0.086 0.000 0.889 102 G HN 0.521 nan 8.290 nan 0.000 0.599 103 F N 1.275 121.201 119.950 -0.039 0.000 2.471 103 F HA 0.497 5.024 4.527 0.000 0.000 0.365 103 F C 0.199 175.988 175.800 -0.018 0.000 1.095 103 F CA -0.424 57.561 58.000 -0.026 0.000 1.174 103 F CB 1.382 40.369 39.000 -0.020 0.000 1.105 103 F HN -0.159 nan 8.300 nan 0.000 0.535 104 V N 4.449 124.424 119.914 0.103 0.000 2.513 104 V HA 0.339 4.459 4.120 0.001 0.000 0.299 104 V C -0.239 175.901 176.094 0.076 0.000 1.035 104 V CA -1.109 61.237 62.300 0.077 0.000 0.889 104 V CB 1.936 33.784 31.823 0.042 0.000 0.988 104 V HN 0.384 nan 8.190 nan 0.000 0.440 105 V N 3.881 123.837 119.914 0.069 0.000 2.439 105 V HA 0.143 4.263 4.120 0.001 0.000 0.271 105 V C 0.971 177.090 176.094 0.041 0.000 1.040 105 V CA 0.468 62.800 62.300 0.054 0.000 1.002 105 V CB 0.969 32.819 31.823 0.045 0.000 1.000 105 V HN 1.021 nan 8.190 nan 0.000 0.477 223 N N 2.465 121.245 118.700 0.132 0.000 2.273 223 N HA 0.041 4.781 4.740 0.001 0.000 0.231 223 N C -0.127 175.417 175.510 0.056 0.000 1.134 223 N CA 0.087 53.182 53.050 0.076 0.000 0.856 223 N CB 1.210 39.733 38.487 0.060 0.000 1.068 223 N HN 0.580 nan 8.380 nan 0.000 0.510 224 E N 0.560 120.802 120.200 0.070 0.000 2.414 224 E HA 0.041 4.392 4.350 0.001 0.000 0.263 224 E C -0.249 176.400 176.600 0.082 0.000 1.000 224 E CA -0.305 56.157 56.400 0.104 0.000 0.914 224 E CB 0.916 30.726 29.700 0.182 0.000 0.948 224 E HN -0.065 nan 8.360 nan 0.000 0.444 225 L N 5.124 126.399 121.223 0.086 0.000 2.259 225 L HA 0.312 4.652 4.340 0.001 0.000 0.288 225 L C -0.775 176.140 176.870 0.076 0.000 1.051 225 L CA -0.499 54.366 54.840 0.042 0.000 0.824 225 L CB 0.887 42.941 42.059 -0.008 0.000 1.206 225 L HN 0.599 nan 8.230 nan 0.000 0.429 226 V N 1.305 121.236 119.914 0.028 0.000 3.141 226 V HA 0.801 4.921 4.120 0.001 0.000 0.312 226 V C -0.623 175.455 176.094 -0.028 0.000 1.157 226 V CA -0.831 61.466 62.300 -0.005 0.000 1.041 226 V CB 1.802 33.589 31.823 -0.059 0.000 1.071 226 V HN 0.720 nan 8.190 nan 0.000 0.441 227 D N 0.383 120.758 120.400 -0.042 0.000 2.511 227 D HA 0.320 4.960 4.640 0.001 0.000 0.276 227 D C 1.419 177.695 176.300 -0.041 0.000 1.220 227 D CA 0.183 54.160 54.000 -0.039 0.000 1.077 227 D CB 0.601 41.377 40.800 -0.039 0.000 1.126 227 D HN 0.820 nan 8.370 nan 0.000 0.583 228 S N -1.454 114.226 115.700 -0.033 0.000 2.440 228 S HA -0.238 4.232 4.470 0.001 0.000 0.238 228 S C 1.192 175.770 174.600 -0.037 0.000 1.010 228 S CA 0.907 59.089 58.200 -0.030 0.000 0.972 228 S CB -0.702 62.485 63.200 -0.022 0.000 0.774 228 S HN 0.575 nan 8.310 nan 0.000 0.501 229 Q N 0.295 120.068 119.800 -0.046 0.000 2.222 229 Q HA 0.258 4.598 4.340 0.001 0.000 0.206 229 Q C -0.310 175.644 176.000 -0.077 0.000 0.877 229 Q CA -0.336 55.435 55.803 -0.053 0.000 0.958 229 Q CB 0.189 28.897 28.738 -0.051 0.000 1.075 229 Q HN 0.241 nan 8.270 nan 0.000 0.483 230 K N 0.050 120.399 120.400 -0.085 0.000 3.341 230 K HA -0.174 4.146 4.320 0.001 0.000 0.305 230 K C -0.608 175.869 176.600 -0.205 0.000 1.270 230 K CA 0.879 57.092 56.287 -0.123 0.000 0.897 230 K CB -1.519 30.913 32.500 -0.113 0.000 1.264 230 K HN 0.391 nan 8.250 nan 0.000 0.468 231 R N 0.383 120.782 120.500 -0.168 0.000 2.349 231 R HA 0.279 4.619 4.340 0.001 0.000 0.299 231 R C 0.073 176.281 176.300 -0.153 0.000 1.027 231 R CA -0.795 55.185 56.100 -0.199 0.000 0.958 231 R CB 0.374 30.608 30.300 -0.109 0.000 1.047 231 R HN -0.101 nan 8.270 nan 0.000 0.468 232 Y N 2.156 122.442 120.300 -0.025 0.000 2.702 232 Y HA -0.073 4.477 4.550 0.000 0.000 0.336 232 Y C 1.001 176.853 175.900 -0.079 0.000 1.235 232 Y CA 0.250 58.318 58.100 -0.054 0.000 1.492 232 Y CB 0.130 38.551 38.460 -0.065 0.000 1.308 232 Y HN 0.274 nan 8.280 nan 0.000 0.589 233 L N 3.411 124.678 121.223 0.074 0.000 2.418 233 L HA 0.563 4.903 4.340 0.001 0.000 0.265 233 L C -0.120 176.697 176.870 -0.088 0.000 1.143 233 L CA -0.651 54.170 54.840 -0.032 0.000 0.809 233 L CB 1.090 43.107 42.059 -0.070 0.000 1.124 233 L HN 0.465 nan 8.230 nan 0.000 0.456 234 V N 1.205 121.037 119.914 -0.137 0.000 3.048 234 V HA 0.796 4.917 4.120 0.001 0.000 0.303 234 V C -0.280 175.653 176.094 -0.267 0.000 1.214 234 V CA -0.187 61.991 62.300 -0.203 0.000 0.984 234 V CB 2.220 33.965 31.823 -0.129 0.000 1.054 234 V HN 0.826 nan 8.190 nan 0.000 0.430 235 G N 3.003 111.533 108.800 -0.449 0.000 2.597 235 G HA2 0.957 4.917 3.960 0.001 0.000 0.317 235 G HA3 0.957 4.917 3.960 0.001 0.000 0.317 235 G C -0.837 173.970 174.900 -0.156 0.000 1.230 235 G CA -0.298 44.511 45.100 -0.484 0.000 0.996 235 G HN 1.655 nan 8.290 nan 0.000 0.490 236 A N -0.883 122.008 122.820 0.118 0.000 2.488 236 A HA 0.799 5.119 4.320 0.001 0.000 0.298 236 A C 0.046 177.784 177.584 0.257 0.000 1.044 236 A CA 0.008 52.135 52.037 0.150 0.000 0.693 236 A CB 1.471 20.499 19.000 0.046 0.000 1.272 236 A HN 1.593 nan 8.150 nan 0.000 0.402 237 G N 0.812 109.737 108.800 0.208 0.000 2.444 237 G HA2 0.606 4.566 3.960 0.001 0.000 0.268 237 G HA3 0.606 4.566 3.960 0.001 0.000 0.268 237 G C 0.008 174.972 174.900 0.108 0.000 1.203 237 G CA -0.081 45.118 45.100 0.166 0.000 0.835 237 G HN 1.442 nan 8.290 nan 0.000 0.543 238 I N -1.153 119.479 120.570 0.102 0.000 3.145 238 I HA 0.746 4.916 4.170 0.001 0.000 0.313 238 I C -0.921 175.262 176.117 0.110 0.000 1.122 238 I CA -1.572 59.793 61.300 0.108 0.000 0.987 238 I CB 2.808 40.882 38.000 0.123 0.000 1.236 238 I HN 0.576 nan 8.210 nan 0.000 0.453 239 N N -0.992 117.792 118.700 0.140 0.000 2.453 239 N HA 0.410 5.151 4.740 0.001 0.000 0.290 239 N C 0.263 175.881 175.510 0.179 0.000 1.250 239 N CA -0.241 52.889 53.050 0.133 0.000 0.815 239 N CB 1.449 40.019 38.487 0.140 0.000 1.381 239 N HN 0.713 nan 8.380 nan 0.000 0.510 240 T N -3.572 111.064 114.554 0.137 0.000 3.215 240 T HA 0.059 4.410 4.350 0.001 0.000 0.254 240 T C 1.164 176.019 174.700 0.259 0.000 1.149 240 T CA 0.413 62.639 62.100 0.211 0.000 1.042 240 T CB -0.233 68.717 68.868 0.137 0.000 0.966 240 T HN 0.631 nan 8.240 nan 0.000 0.534 241 R N 1.676 122.243 120.500 0.112 0.000 2.064 241 R HA 0.062 4.403 4.340 0.001 0.000 0.210 241 R C 0.877 177.057 176.300 -0.200 0.000 1.221 241 R CA 1.124 57.178 56.100 -0.077 0.000 1.055 241 R CB 0.078 30.298 30.300 -0.134 0.000 0.946 241 R HN 0.465 nan 8.270 nan 0.000 0.459 242 D N 0.840 121.171 120.400 -0.115 0.000 2.427 242 D HA -0.029 4.612 4.640 0.001 0.000 0.224 242 D C 1.263 177.426 176.300 -0.228 0.000 1.157 242 D CA -0.393 53.485 54.000 -0.203 0.000 0.828 242 D CB -0.417 40.352 40.800 -0.051 0.000 0.974 242 D HN 0.417 nan 8.370 nan 0.000 0.498 243 F N 0.672 120.536 119.950 -0.144 0.000 2.202 243 F HA -0.000 4.527 4.527 0.001 0.000 0.301 243 F C 1.919 177.491 175.800 -0.380 0.000 1.082 243 F CA 0.515 58.410 58.000 -0.174 0.000 1.313 243 F CB -0.624 38.295 39.000 -0.135 0.000 1.024 243 F HN -0.147 nan 8.300 nan 0.000 0.495 244 R N 0.444 120.286 120.500 -1.095 0.000 2.159 244 R HA -0.135 4.205 4.340 0.001 0.000 0.237 244 R C 1.577 177.694 176.300 -0.303 0.000 1.131 244 R CA 1.814 57.276 56.100 -1.062 0.000 0.982 244 R CB -0.375 29.337 30.300 -0.979 0.000 0.868 244 R HN 0.401 nan 8.270 nan 0.000 0.453 245 E N -0.781 119.297 120.200 -0.202 0.000 2.244 245 E HA 0.055 4.406 4.350 0.001 0.000 0.196 245 E C 1.726 178.352 176.600 0.043 0.000 0.939 245 E CA 0.236 56.617 56.400 -0.031 0.000 0.884 245 E CB 0.053 29.724 29.700 -0.047 0.000 0.850 245 E HN 0.100 nan 8.360 nan 0.000 0.481 246 R N 0.688 121.209 120.500 0.034 0.000 2.075 246 R HA -0.068 4.272 4.340 0.001 0.000 0.232 246 R C 1.871 178.247 176.300 0.127 0.000 1.126 246 R CA 1.101 57.248 56.100 0.078 0.000 0.963 246 R CB -0.198 30.152 30.300 0.083 0.000 0.858 246 R HN 0.043 nan 8.270 nan 0.000 0.435 247 V N 1.548 121.582 119.914 0.199 0.000 2.255 247 V HA -0.163 3.957 4.120 0.001 0.000 0.247 247 V C -0.895 175.355 176.094 0.260 0.000 1.051 247 V CA 1.959 64.420 62.300 0.269 0.000 1.018 247 V CB -1.062 31.053 31.823 0.486 0.000 0.641 247 V HN 0.333 nan 8.190 nan 0.000 0.445 248 P HA -0.162 nan 4.420 nan 0.000 0.216 248 P C 1.662 179.073 177.300 0.186 0.000 1.150 248 P CA 2.016 65.316 63.100 0.333 0.000 0.837 248 P CB -0.153 31.756 31.700 0.348 0.000 0.786 249 A N -0.739 122.166 122.820 0.142 0.000 1.902 249 A HA -0.155 4.165 4.320 0.001 0.000 0.217 249 A C 2.183 179.811 177.584 0.073 0.000 1.181 249 A CA 1.413 53.505 52.037 0.092 0.000 0.623 249 A CB -1.601 17.439 19.000 0.068 0.000 0.818 249 A HN 0.117 nan 8.150 nan 0.000 0.443 250 L N -0.630 120.633 121.223 0.068 0.000 2.109 250 L HA -0.120 4.220 4.340 0.001 0.000 0.207 250 L C 2.488 179.374 176.870 0.026 0.000 1.086 250 L CA 0.776 55.641 54.840 0.041 0.000 0.760 250 L CB -0.535 41.548 42.059 0.039 0.000 0.910 250 L HN 0.233 nan 8.230 nan 0.000 0.437 251 V N 0.024 119.948 119.914 0.016 0.000 2.295 251 V HA -0.297 3.823 4.120 0.001 0.000 0.246 251 V C 2.504 178.610 176.094 0.021 0.000 1.049 251 V CA 2.018 64.297 62.300 -0.034 0.000 1.024 251 V CB -0.460 31.291 31.823 -0.120 0.000 0.648 251 V HN 0.511 nan 8.190 nan 0.000 0.447 252 E N 0.391 120.630 120.200 0.065 0.000 2.077 252 E HA -0.228 4.122 4.350 0.001 0.000 0.193 252 E C 2.156 178.811 176.600 0.091 0.000 0.989 252 E CA 1.369 57.817 56.400 0.081 0.000 0.800 252 E CB -0.202 29.553 29.700 0.092 0.000 0.746 252 E HN 0.563 nan 8.360 nan 0.000 0.452 253 A N 0.018 122.893 122.820 0.092 0.000 2.121 253 A HA 0.036 4.356 4.320 0.001 0.000 0.218 253 A C 1.788 179.410 177.584 0.064 0.000 1.154 253 A CA 1.430 53.547 52.037 0.134 0.000 0.679 253 A CB -0.480 18.584 19.000 0.107 0.000 0.795 253 A HN 0.541 nan 8.150 nan 0.000 0.458 254 G N -2.612 106.202 108.800 0.023 0.000 2.148 254 G HA2 0.189 4.149 3.960 0.001 0.000 0.203 254 G HA3 0.189 4.149 3.960 0.001 0.000 0.203 254 G C 0.338 175.222 174.900 -0.027 0.000 0.993 254 G CA 0.133 45.224 45.100 -0.015 0.000 0.661 254 G HN 1.572 nan 8.290 nan 0.000 0.518 255 A N 0.261 123.068 122.820 -0.021 0.000 2.540 255 A HA 0.457 4.777 4.320 0.001 0.000 0.239 255 A C 1.218 178.779 177.584 -0.039 0.000 1.061 255 A CA 1.067 53.084 52.037 -0.033 0.000 0.758 255 A CB 0.248 19.238 19.000 -0.017 0.000 0.991 255 A HN 0.303 nan 8.150 nan 0.000 0.502 256 D N 0.338 120.707 120.400 -0.053 0.000 2.271 256 D HA 0.120 4.761 4.640 0.001 0.000 0.206 256 D C 0.273 176.566 176.300 -0.011 0.000 0.967 256 D CA 1.294 55.269 54.000 -0.042 0.000 0.867 256 D CB 0.616 41.378 40.800 -0.063 0.000 0.960 256 D HN 0.339 nan 8.370 nan 0.000 0.509 257 V N 0.561 120.477 119.914 0.003 0.000 3.077 257 V HA 0.361 4.482 4.120 0.001 0.000 0.299 257 V C -1.860 174.351 176.094 0.195 0.000 1.276 257 V CA -0.770 61.601 62.300 0.117 0.000 0.993 257 V CB 2.367 34.307 31.823 0.194 0.000 1.076 257 V HN -0.136 nan 8.190 nan 0.000 0.434 258 L N 4.234 125.605 121.223 0.247 0.000 2.303 258 L HA 0.873 5.213 4.340 0.001 0.000 0.266 258 L C -0.786 176.246 176.870 0.270 0.000 1.011 258 L CA -0.684 54.306 54.840 0.251 0.000 0.818 258 L CB 2.040 44.173 42.059 0.124 0.000 1.326 258 L HN 0.791 nan 8.230 nan 0.000 0.435 259 C N 1.876 121.285 119.300 0.181 0.000 2.752 259 C HA 0.480 4.941 4.460 0.001 0.000 0.360 259 C C -0.363 174.611 174.990 -0.026 0.000 1.081 259 C CA -0.576 58.427 59.018 -0.025 0.000 1.272 259 C CB 0.433 28.093 27.740 -0.134 0.000 1.754 259 C HN 0.652 nan 8.230 nan 0.000 0.483 260 I N 4.518 125.043 120.570 -0.076 0.000 2.517 260 I HA 0.162 4.332 4.170 0.001 0.000 0.285 260 I C 0.130 176.236 176.117 -0.018 0.000 1.106 260 I CA 0.725 62.010 61.300 -0.025 0.000 1.402 260 I CB 0.433 38.410 38.000 -0.038 0.000 1.399 260 I HN 0.618 nan 8.210 nan 0.000 0.535 261 D N 5.685 126.100 120.400 0.024 0.000 2.317 261 D HA 0.430 5.070 4.640 0.001 0.000 0.234 261 D C -0.705 175.622 176.300 0.045 0.000 1.112 261 D CA 0.095 54.115 54.000 0.034 0.000 0.840 261 D CB 0.994 41.831 40.800 0.061 0.000 1.078 261 D HN 0.472 nan 8.370 nan 0.000 0.486 262 S N 1.687 117.409 115.700 0.037 0.000 2.543 262 S HA 0.277 4.747 4.470 0.001 0.000 0.274 262 S C 0.695 175.319 174.600 0.041 0.000 1.149 262 S CA -0.134 58.093 58.200 0.045 0.000 0.866 262 S CB 0.844 64.078 63.200 0.056 0.000 1.111 262 S HN 0.339 nan 8.310 nan 0.000 0.457 263 S N 1.609 117.333 115.700 0.041 0.000 2.481 263 S HA 0.125 4.595 4.470 0.001 0.000 0.231 263 S C 0.206 174.831 174.600 0.042 0.000 0.996 263 S CA 0.999 59.220 58.200 0.035 0.000 0.942 263 S CB -0.285 62.932 63.200 0.029 0.000 0.768 263 S HN 0.715 nan 8.310 nan 0.000 0.520 264 D N 0.052 120.487 120.400 0.058 0.000 2.328 264 D HA 0.407 5.047 4.640 0.001 0.000 0.243 264 D C 0.647 177.012 176.300 0.109 0.000 1.324 264 D CA -0.233 53.815 54.000 0.080 0.000 0.966 264 D CB 0.757 41.600 40.800 0.072 0.000 1.324 264 D HN 0.075 nan 8.370 nan 0.000 0.549 265 G N 1.768 110.631 108.800 0.105 0.000 2.744 265 G HA2 -0.084 3.877 3.960 0.001 0.000 0.211 265 G HA3 -0.084 3.877 3.960 0.001 0.000 0.211 265 G C 0.475 175.494 174.900 0.198 0.000 1.143 265 G CA -0.134 45.035 45.100 0.115 0.000 0.788 265 G HN 0.407 nan 8.290 nan 0.000 0.534 266 F N 2.702 122.658 119.950 0.009 0.000 2.652 266 F HA 0.568 5.095 4.527 0.000 0.000 0.352 266 F C 0.279 176.010 175.800 -0.116 0.000 1.259 266 F CA -1.500 56.462 58.000 -0.063 0.000 1.249 266 F CB -0.257 38.688 39.000 -0.093 0.000 1.628 266 F HN -0.018 nan 8.300 nan 0.000 0.654 267 S N 2.504 118.342 115.700 0.229 0.000 2.536 267 S HA 0.303 4.773 4.470 0.001 0.000 0.271 267 S C 0.765 175.483 174.600 0.196 0.000 1.134 267 S CA -0.598 57.678 58.200 0.127 0.000 0.897 267 S CB 1.197 64.532 63.200 0.226 0.000 1.094 267 S HN 0.529 nan 8.310 nan 0.000 0.473 268 E N 2.043 122.253 120.200 0.017 0.000 2.204 268 E HA -0.134 4.217 4.350 0.001 0.000 0.195 268 E C 0.555 177.150 176.600 -0.009 0.000 0.990 268 E CA 1.398 57.809 56.400 0.018 0.000 0.821 268 E CB -0.019 29.552 29.700 -0.216 0.000 0.750 268 E HN 0.825 nan 8.360 nan 0.000 0.477 269 W N 1.385 122.744 121.300 0.098 0.000 2.363 269 W HA -0.161 4.500 4.660 0.000 0.000 0.296 269 W C 2.436 178.978 176.519 0.039 0.000 1.212 269 W CA 0.483 57.873 57.345 0.075 0.000 1.260 269 W CB 0.002 29.505 29.460 0.071 0.000 1.131 269 W HN 0.079 nan 8.180 nan 0.000 0.530 270 Q N 0.543 120.505 119.800 0.269 0.000 2.123 270 Q HA -0.186 4.155 4.340 0.001 0.000 0.199 270 Q C 2.093 178.121 176.000 0.046 0.000 0.966 270 Q CA 1.245 57.124 55.803 0.127 0.000 0.845 270 Q CB -0.523 28.292 28.738 0.128 0.000 0.907 270 Q HN 0.392 nan 8.270 nan 0.000 0.439 271 K N 1.226 121.677 120.400 0.084 0.000 2.057 271 K HA -0.141 4.179 4.320 0.001 0.000 0.207 271 K C 2.028 178.618 176.600 -0.017 0.000 1.049 271 K CA 0.978 57.249 56.287 -0.027 0.000 0.931 271 K CB -0.092 32.387 32.500 -0.034 0.000 0.714 271 K HN 0.102 nan 8.250 nan 0.000 0.440 272 I N 0.857 121.445 120.570 0.031 0.000 2.226 272 I HA -0.263 3.907 4.170 0.001 0.000 0.245 272 I C 2.156 178.249 176.117 -0.041 0.000 1.100 272 I CA 1.479 62.813 61.300 0.058 0.000 1.374 272 I CB -0.393 37.699 38.000 0.153 0.000 1.057 272 I HN 0.263 nan 8.210 nan 0.000 0.413 273 T N 1.166 115.584 114.554 -0.227 0.000 2.708 273 T HA -0.117 4.234 4.350 0.001 0.000 0.266 273 T C 1.911 176.448 174.700 -0.271 0.000 1.037 273 T CA 1.409 63.104 62.100 -0.675 0.000 1.146 273 T CB -0.272 68.231 68.868 -0.608 0.000 0.865 273 T HN 0.242 nan 8.240 nan 0.000 0.435 274 I N 1.186 121.678 120.570 -0.130 0.000 2.286 274 I HA -0.091 4.079 4.170 0.001 0.000 0.248 274 I C 2.901 179.018 176.117 0.001 0.000 1.115 274 I CA 1.202 62.467 61.300 -0.058 0.000 1.392 274 I CB -0.783 37.166 38.000 -0.086 0.000 1.065 274 I HN 0.308 nan 8.210 nan 0.000 0.418 275 G N 0.169 108.974 108.800 0.008 0.000 2.446 275 G HA2 -0.312 3.648 3.960 0.001 0.000 0.217 275 G HA3 -0.312 3.648 3.960 0.001 0.000 0.217 275 G C 1.441 176.405 174.900 0.106 0.000 1.168 275 G CA 0.543 45.669 45.100 0.042 0.000 0.771 275 G HN 0.504 nan 8.290 nan 0.000 0.551 276 W N 1.187 122.481 121.300 -0.009 0.000 2.358 276 W HA -0.008 4.653 4.660 0.000 0.000 0.303 276 W C 2.372 178.947 176.519 0.093 0.000 1.208 276 W CA 1.318 58.711 57.345 0.081 0.000 1.274 276 W CB -0.130 29.462 29.460 0.220 0.000 1.138 276 W HN 0.182 nan 8.180 nan 0.000 0.515 277 I N 0.494 121.237 120.570 0.287 0.000 2.226 277 I HA -0.328 3.843 4.170 0.001 0.000 0.245 277 I C 2.588 178.752 176.117 0.078 0.000 1.100 277 I CA 1.140 62.581 61.300 0.236 0.000 1.374 277 I CB -0.614 37.539 38.000 0.255 0.000 1.057 277 I HN -0.106 nan 8.210 nan 0.000 0.413 278 R N 0.633 121.151 120.500 0.031 0.000 2.096 278 R HA -0.188 4.153 4.340 0.001 0.000 0.235 278 R C 2.043 178.302 176.300 -0.069 0.000 1.127 278 R CA 1.288 57.388 56.100 0.000 0.000 0.968 278 R CB -0.717 29.581 30.300 -0.004 0.000 0.861 278 R HN 0.503 nan 8.270 nan 0.000 0.440 279 E N 0.433 120.553 120.200 -0.132 0.000 2.150 279 E HA -0.157 4.193 4.350 0.001 0.000 0.193 279 E C 1.840 178.251 176.600 -0.314 0.000 0.985 279 E CA 0.973 57.258 56.400 -0.191 0.000 0.814 279 E CB 0.230 29.817 29.700 -0.189 0.000 0.752 279 E HN -0.051 nan 8.360 nan 0.000 0.466 280 K N -0.561 119.535 120.400 -0.506 0.000 2.202 280 K HA -0.033 4.287 4.320 0.001 0.000 0.201 280 K C 0.759 176.939 176.600 -0.700 0.000 1.051 280 K CA 0.887 56.723 56.287 -0.751 0.000 0.977 280 K CB 0.267 31.994 32.500 -1.288 0.000 0.792 280 K HN 0.228 nan 8.250 nan 0.000 0.469 281 Y N -0.851 119.345 120.300 -0.173 0.000 2.527 281 Y HA 0.234 4.784 4.550 0.000 0.000 0.247 281 Y C 1.124 176.993 175.900 -0.052 0.000 1.138 281 Y CA 0.091 58.139 58.100 -0.086 0.000 1.228 281 Y CB 0.650 39.080 38.460 -0.049 0.000 1.252 281 Y HN 0.194 nan 8.280 nan 0.000 0.531 282 G N 0.963 109.799 108.800 0.059 0.000 2.564 282 G HA2 -0.313 3.647 3.960 0.001 0.000 0.273 282 G HA3 -0.313 3.647 3.960 0.001 0.000 0.273 282 G C 0.247 175.188 174.900 0.068 0.000 1.242 282 G CA 0.398 45.523 45.100 0.042 0.000 0.951 282 G HN 0.287 nan 8.290 nan 0.000 0.564 283 D N 0.647 121.082 120.400 0.058 0.000 2.336 283 D HA 0.171 4.811 4.640 0.001 0.000 0.228 283 D C 1.949 178.289 176.300 0.066 0.000 1.120 283 D CA 0.288 54.325 54.000 0.061 0.000 0.839 283 D CB 0.330 41.165 40.800 0.058 0.000 0.932 283 D HN 0.235 nan 8.370 nan 0.000 0.509 284 K N -0.271 120.173 120.400 0.074 0.000 2.305 284 K HA 0.082 4.403 4.320 0.001 0.000 0.199 284 K C 0.509 177.125 176.600 0.028 0.000 1.047 284 K CA 0.287 56.610 56.287 0.061 0.000 0.976 284 K CB 0.470 33.018 32.500 0.080 0.000 0.765 284 K HN -0.061 nan 8.250 nan 0.000 0.474 285 V N 2.613 122.537 119.914 0.018 0.000 2.384 285 V HA 0.217 4.337 4.120 0.001 0.000 0.287 285 V C -0.365 175.736 176.094 0.013 0.000 1.020 285 V CA -1.092 61.175 62.300 -0.054 0.000 0.850 285 V CB 1.561 33.254 31.823 -0.217 0.000 0.987 285 V HN -0.002 nan 8.190 nan 0.000 0.436 286 K N 3.588 124.009 120.400 0.035 0.000 2.172 286 K HA 0.648 4.969 4.320 0.001 0.000 0.276 286 K C -0.693 175.956 176.600 0.082 0.000 1.013 286 K CA -0.407 55.930 56.287 0.083 0.000 0.913 286 K CB 2.146 34.727 32.500 0.135 0.000 1.055 286 K HN 0.440 nan 8.250 nan 0.000 0.461 287 V N 1.436 121.371 119.914 0.034 0.000 2.655 287 V HA 0.555 4.675 4.120 0.001 0.000 0.301 287 V C -0.217 175.708 176.094 -0.282 0.000 1.082 287 V CA -0.490 61.780 62.300 -0.049 0.000 0.899 287 V CB 1.694 33.496 31.823 -0.036 0.000 1.014 287 V HN 0.848 nan 8.190 nan 0.000 0.429 288 G N 4.462 112.881 108.800 -0.634 0.000 2.528 288 G HA2 0.851 4.811 3.960 0.001 0.000 0.289 288 G HA3 0.851 4.811 3.960 0.001 0.000 0.289 288 G C -0.302 174.179 174.900 -0.697 0.000 1.192 288 G CA -0.004 44.222 45.100 -1.456 0.000 0.921 288 G HN 1.672 nan 8.290 nan 0.000 0.512 289 A N -1.229 121.257 122.820 -0.557 0.000 2.566 289 A HA 1.039 5.359 4.320 0.001 0.000 0.292 289 A C 0.060 177.541 177.584 -0.171 0.000 1.112 289 A CA 0.124 52.000 52.037 -0.269 0.000 0.707 289 A CB 1.692 20.569 19.000 -0.205 0.000 1.302 289 A HN 2.415 nan 8.150 nan 0.000 0.409 290 G N 0.080 108.830 108.800 -0.083 0.000 2.341 290 G HA2 0.409 4.369 3.960 0.001 0.000 0.293 290 G HA3 0.409 4.369 3.960 0.001 0.000 0.293 290 G C -1.959 172.943 174.900 0.003 0.000 1.298 290 G CA -0.878 44.201 45.100 -0.034 0.000 0.868 290 G HN 0.834 nan 8.290 nan 0.000 0.540 291 N N -0.624 118.086 118.700 0.018 0.000 2.492 291 N HA 0.795 5.535 4.740 0.001 0.000 0.289 291 N C -0.096 175.425 175.510 0.018 0.000 1.133 291 N CA -0.299 52.758 53.050 0.010 0.000 0.961 291 N CB 1.598 40.092 38.487 0.011 0.000 1.186 291 N HN 0.855 nan 8.380 nan 0.000 0.493 292 I N -2.498 118.072 120.570 0.000 0.000 3.145 292 I HA 0.593 4.763 4.170 0.001 0.000 0.313 292 I C 0.398 176.509 176.117 -0.011 0.000 1.122 292 I CA -0.980 60.318 61.300 -0.004 0.000 0.987 292 I CB 1.519 39.482 38.000 -0.063 0.000 1.236 292 I HN 0.276 nan 8.210 nan 0.000 0.453 293 V N -1.712 118.196 119.914 -0.010 0.000 3.337 293 V HA 0.511 4.631 4.120 0.001 0.000 0.307 293 V C -0.686 175.389 176.094 -0.033 0.000 1.505 293 V CA 0.386 62.667 62.300 -0.031 0.000 1.072 293 V CB -0.636 31.160 31.823 -0.044 0.000 0.929 293 V HN 1.012 nan 8.190 nan 0.000 0.455 294 D N -0.767 119.626 120.400 -0.011 0.000 2.626 294 D HA 0.426 5.066 4.640 0.001 0.000 0.278 294 D C 1.234 177.542 176.300 0.013 0.000 1.211 294 D CA 0.165 54.170 54.000 0.009 0.000 0.903 294 D CB 1.279 42.117 40.800 0.062 0.000 1.408 294 D HN 0.007 nan 8.370 nan 0.000 0.454 295 G N -0.055 108.765 108.800 0.033 0.000 2.440 295 G HA2 -0.283 3.678 3.960 0.001 0.000 0.218 295 G HA3 -0.283 3.678 3.960 0.001 0.000 0.218 295 G C 1.089 176.028 174.900 0.065 0.000 1.154 295 G CA 0.975 46.107 45.100 0.053 0.000 0.767 295 G HN 0.630 nan 8.290 nan 0.000 0.552 296 E N -0.003 120.221 120.200 0.041 0.000 2.058 296 E HA -0.089 4.261 4.350 0.001 0.000 0.194 296 E C 2.780 179.133 176.600 -0.412 0.000 0.997 296 E CA 0.771 57.172 56.400 0.002 0.000 0.801 296 E CB -0.345 29.480 29.700 0.208 0.000 0.746 296 E HN 0.401 nan 8.360 nan 0.000 0.450 297 G N 0.707 109.136 108.800 -0.619 0.000 2.402 297 G HA2 -0.279 3.682 3.960 0.001 0.000 0.216 297 G HA3 -0.279 3.682 3.960 0.001 0.000 0.216 297 G C 1.367 175.962 174.900 -0.507 0.000 1.162 297 G CA 0.554 45.002 45.100 -1.087 0.000 0.777 297 G HN 0.257 nan 8.290 nan 0.000 0.539 298 F N 1.947 121.690 119.950 -0.344 0.000 2.069 298 F HA -0.107 4.420 4.527 0.001 0.000 0.298 298 F C 2.719 178.339 175.800 -0.300 0.000 1.113 298 F CA 2.057 59.893 58.000 -0.273 0.000 1.214 298 F CB -0.214 38.654 39.000 -0.221 0.000 0.978 298 F HN 0.128 nan 8.300 nan 0.000 0.474 299 R N -0.549 119.839 120.500 -0.186 0.000 2.103 299 R HA -0.275 4.066 4.340 0.001 0.000 0.242 299 R C 2.218 178.356 176.300 -0.270 0.000 1.142 299 R CA 2.186 58.154 56.100 -0.219 0.000 0.960 299 R CB -1.523 28.811 30.300 0.057 0.000 0.858 299 R HN 0.537 nan 8.270 nan 0.000 0.439 300 Y N 0.349 120.438 120.300 -0.351 0.000 2.145 300 Y HA -0.106 4.444 4.550 0.000 0.000 0.286 300 Y C 1.719 177.458 175.900 -0.269 0.000 1.145 300 Y CA 1.948 59.905 58.100 -0.237 0.000 1.148 300 Y CB -0.136 38.194 38.460 -0.216 0.000 0.981 300 Y HN 0.066 nan 8.280 nan 0.000 0.507 301 L N -0.674 120.341 121.223 -0.347 0.000 2.217 301 L HA -0.116 4.224 4.340 0.001 0.000 0.211 301 L C 2.682 179.248 176.870 -0.507 0.000 1.107 301 L CA 0.807 55.412 54.840 -0.392 0.000 0.783 301 L CB -0.856 41.021 42.059 -0.302 0.000 0.919 301 L HN 0.311 nan 8.230 nan 0.000 0.442 302 A N 0.105 122.486 122.820 -0.731 0.000 1.873 302 A HA -0.209 4.112 4.320 0.001 0.000 0.215 302 A C 1.907 179.251 177.584 -0.400 0.000 1.186 302 A CA 1.817 53.381 52.037 -0.788 0.000 0.616 302 A CB -0.446 17.653 19.000 -1.502 0.000 0.823 302 A HN 0.307 nan 8.150 nan 0.000 0.442 303 D N 0.076 120.284 120.400 -0.320 0.000 2.219 303 D HA -0.005 4.636 4.640 0.001 0.000 0.205 303 D C 2.017 178.189 176.300 -0.214 0.000 0.970 303 D CA 1.270 55.181 54.000 -0.149 0.000 0.851 303 D CB -0.292 40.440 40.800 -0.113 0.000 0.943 303 D HN 0.437 nan 8.370 nan 0.000 0.488 304 A N -0.228 122.388 122.820 -0.341 0.000 2.119 304 A HA 0.282 4.602 4.320 0.001 0.000 0.217 304 A C 1.856 179.325 177.584 -0.193 0.000 1.153 304 A CA 1.569 53.420 52.037 -0.311 0.000 0.692 304 A CB -0.099 18.657 19.000 -0.407 0.000 0.799 304 A HN 0.298 nan 8.150 nan 0.000 0.458 305 G N -2.599 106.093 108.800 -0.180 0.000 2.168 305 G HA2 0.197 4.157 3.960 0.001 0.000 0.197 305 G HA3 0.197 4.157 3.960 0.001 0.000 0.197 305 G C 0.384 175.212 174.900 -0.119 0.000 0.997 305 G CA 0.110 45.142 45.100 -0.114 0.000 0.658 305 G HN 1.510 nan 8.290 nan 0.000 0.513 306 A N 0.330 123.039 122.820 -0.185 0.000 2.531 306 A HA 0.463 4.783 4.320 0.001 0.000 0.236 306 A C 1.210 178.716 177.584 -0.131 0.000 1.062 306 A CA 1.049 52.968 52.037 -0.196 0.000 0.760 306 A CB 0.261 19.097 19.000 -0.273 0.000 0.995 306 A HN 0.235 nan 8.150 nan 0.000 0.501 307 D N 0.127 120.472 120.400 -0.091 0.000 2.289 307 D HA 0.151 4.791 4.640 0.001 0.000 0.207 307 D C -0.073 176.356 176.300 0.214 0.000 0.966 307 D CA 1.493 55.534 54.000 0.068 0.000 0.868 307 D CB 0.041 40.923 40.800 0.137 0.000 0.943 307 D HN 0.583 nan 8.370 nan 0.000 0.514 308 F N -0.830 119.157 119.950 0.063 0.000 2.678 308 F HA 0.521 5.049 4.527 0.000 0.000 0.308 308 F C -1.848 173.961 175.800 0.015 0.000 1.118 308 F CA -1.390 56.667 58.000 0.096 0.000 0.959 308 F CB 0.822 39.992 39.000 0.285 0.000 1.305 308 F HN -0.377 nan 8.300 nan 0.000 0.443 309 I N 2.989 123.699 120.570 0.233 0.000 2.436 309 I HA 0.376 4.547 4.170 0.001 0.000 0.289 309 I C -0.663 175.534 176.117 0.132 0.000 1.010 309 I CA -0.912 60.427 61.300 0.065 0.000 1.098 309 I CB 2.188 40.188 38.000 0.000 0.000 1.266 309 I HN 0.553 nan 8.210 nan 0.000 0.434 310 K N 6.695 127.144 120.400 0.082 0.000 2.201 310 K HA 0.590 4.910 4.320 0.001 0.000 0.278 310 K C -0.792 175.810 176.600 0.004 0.000 1.027 310 K CA -0.481 55.836 56.287 0.050 0.000 0.909 310 K CB 1.699 34.239 32.500 0.066 0.000 1.062 310 K HN 0.465 nan 8.250 nan 0.000 0.465 311 I N 1.182 121.739 120.570 -0.023 0.000 2.377 311 I HA 0.431 4.601 4.170 0.001 0.000 0.293 311 I C 0.210 176.311 176.117 -0.026 0.000 0.987 311 I CA -0.305 60.979 61.300 -0.027 0.000 1.185 311 I CB 1.912 39.884 38.000 -0.047 0.000 1.341 311 I HN 0.761 nan 8.210 nan 0.000 0.455 312 G N 6.712 115.495 108.800 -0.028 0.000 2.873 312 G HA2 0.168 4.129 3.960 0.001 0.000 0.507 312 G HA3 0.168 4.129 3.960 0.001 0.000 0.507 312 G C -1.290 173.598 174.900 -0.019 0.000 1.440 312 G CA -0.908 44.173 45.100 -0.032 0.000 1.016 312 G HN 0.481 nan 8.290 nan 0.000 0.615 313 I N 1.874 122.427 120.570 -0.029 0.000 2.512 313 I HA 0.555 4.725 4.170 0.001 0.000 0.287 313 I C 1.120 177.221 176.117 -0.027 0.000 1.069 313 I CA 0.174 61.464 61.300 -0.017 0.000 1.056 313 I CB 1.928 39.922 38.000 -0.008 0.000 1.229 313 I HN 1.805 nan 8.210 nan 0.000 0.429 314 G N 3.893 112.683 108.800 -0.016 0.000 2.184 314 G HA2 -0.242 3.718 3.960 0.001 0.000 0.264 314 G HA3 -0.242 3.718 3.960 0.001 0.000 0.264 314 G C 0.875 175.760 174.900 -0.025 0.000 0.975 314 G CA 0.395 45.484 45.100 -0.019 0.000 0.642 314 G HN 0.924 nan 8.290 nan 0.000 0.536 315 G N 0.148 108.930 108.800 -0.031 0.000 2.986 315 G HA2 0.505 4.465 3.960 0.001 0.000 0.213 315 G HA3 0.505 4.465 3.960 0.001 0.000 0.213 315 G C 0.987 175.885 174.900 -0.004 0.000 1.156 315 G CA 0.946 46.023 45.100 -0.039 0.000 0.763 315 G HN 1.227 nan 8.290 nan 0.000 0.547 316 G N 0.613 109.423 108.800 0.016 0.000 2.544 316 G HA2 0.323 4.283 3.960 0.001 0.000 0.242 316 G HA3 0.323 4.283 3.960 0.001 0.000 0.242 316 G C 1.316 176.248 174.900 0.054 0.000 1.247 316 G CA 0.580 45.708 45.100 0.046 0.000 0.840 316 G HN 0.410 nan 8.290 nan 0.000 0.578 317 S N 1.245 116.994 115.700 0.082 0.000 2.419 317 S HA -0.104 4.366 4.470 0.001 0.000 0.235 317 S C 1.292 175.951 174.600 0.100 0.000 1.019 317 S CA 0.489 58.739 58.200 0.084 0.000 0.982 317 S CB -0.470 62.784 63.200 0.090 0.000 0.789 317 S HN 0.377 nan 8.310 nan 0.000 0.490 321 T N 0.141 114.709 114.554 0.024 0.000 3.278 321 T HA 0.714 5.065 4.350 0.001 0.000 0.246 321 T C -0.243 174.462 174.700 0.010 0.000 1.281 321 T CA -0.363 61.749 62.100 0.019 0.000 1.281 321 T CB 0.273 69.154 68.868 0.023 0.000 1.064 321 T HN 0.202 nan 8.240 nan 0.000 0.628 322 R N 0.223 120.728 120.500 0.008 0.000 2.765 322 R HA 0.527 4.868 4.340 0.001 0.000 0.277 322 R C -2.098 174.204 176.300 0.004 0.000 1.028 322 R CA -0.552 55.550 56.100 0.003 0.000 0.860 322 R CB 0.910 31.210 30.300 0.000 0.000 1.270 322 R HN 0.275 nan 8.270 nan 0.000 0.484 323 E N 1.111 121.312 120.200 0.002 0.000 2.277 323 E HA 0.305 4.655 4.350 0.001 0.000 0.274 323 E C -0.803 175.797 176.600 -0.000 0.000 1.022 323 E CA -0.317 56.084 56.400 0.001 0.000 0.853 323 E CB 0.882 30.582 29.700 0.001 0.000 1.086 323 E HN 0.352 nan 8.360 nan 0.000 0.397 324 Q N 2.386 122.185 119.800 -0.001 0.000 2.330 324 Q HA -0.036 4.304 4.340 0.001 0.000 0.279 324 Q C 0.307 176.306 176.000 -0.003 0.000 1.024 324 Q CA 0.510 56.311 55.803 -0.003 0.000 0.900 324 Q CB 0.926 29.661 28.738 -0.005 0.000 1.221 324 Q HN 0.650 nan 8.270 nan 0.000 0.396 325 K N 1.569 121.967 120.400 -0.003 0.000 2.418 325 K HA -0.020 4.300 4.320 0.001 0.000 0.195 325 K C 0.832 177.430 176.600 -0.003 0.000 1.035 325 K CA 0.947 57.233 56.287 -0.002 0.000 1.003 325 K CB 0.152 32.652 32.500 -0.000 0.000 0.793 325 K HN 0.881 nan 8.250 nan 0.000 0.494 326 G N 1.265 110.062 108.800 -0.005 0.000 2.238 326 G HA2 -0.205 3.756 3.960 0.001 0.000 0.217 326 G HA3 -0.205 3.756 3.960 0.001 0.000 0.217 326 G C 0.149 175.044 174.900 -0.008 0.000 0.996 326 G CA 0.185 45.282 45.100 -0.005 0.000 0.632 326 G HN 0.408 nan 8.290 nan 0.000 0.503 327 I N -1.587 118.977 120.570 -0.009 0.000 2.493 327 I HA 0.907 5.077 4.170 0.001 0.000 0.298 327 I C 0.493 176.600 176.117 -0.018 0.000 0.998 327 I CA -0.471 60.822 61.300 -0.011 0.000 1.137 327 I CB 1.962 39.961 38.000 -0.002 0.000 1.310 327 I HN 1.156 nan 8.210 nan 0.000 0.445 328 G N 3.975 112.757 108.800 -0.030 0.000 2.341 328 G HA2 0.426 4.387 3.960 0.001 0.000 0.293 328 G HA3 0.426 4.387 3.960 0.001 0.000 0.293 328 G C -1.846 173.010 174.900 -0.074 0.000 1.298 328 G CA -1.072 44.002 45.100 -0.044 0.000 0.868 328 G HN 0.946 nan 8.290 nan 0.000 0.540 329 R N -0.974 119.471 120.500 -0.091 0.000 2.725 329 R HA 0.530 4.870 4.340 0.001 0.000 0.254 329 R C 0.268 176.487 176.300 -0.135 0.000 1.076 329 R CA -0.158 55.866 56.100 -0.127 0.000 0.940 329 R CB 1.125 31.339 30.300 -0.143 0.000 1.260 329 R HN 1.672 nan 8.270 nan 0.000 0.466 330 G N 1.939 110.650 108.800 -0.149 0.000 2.265 330 G HA2 -0.121 3.840 3.960 0.001 0.000 0.240 330 G HA3 -0.121 3.840 3.960 0.001 0.000 0.240 330 G C 0.531 175.304 174.900 -0.211 0.000 1.270 330 G CA 0.032 45.037 45.100 -0.159 0.000 0.901 330 G HN 0.722 nan 8.290 nan 0.000 0.507 331 Q N 2.592 122.205 119.800 -0.313 0.000 2.096 331 Q HA -0.138 4.202 4.340 0.001 0.000 0.204 331 Q C 2.698 178.370 176.000 -0.547 0.000 0.982 331 Q CA 2.602 58.136 55.803 -0.448 0.000 0.850 331 Q CB -0.349 28.003 28.738 -0.643 0.000 0.901 331 Q HN 0.707 nan 8.270 nan 0.000 0.422 332 A N -0.915 121.524 122.820 -0.635 0.000 1.877 332 A HA -0.180 4.140 4.320 0.001 0.000 0.216 332 A C 2.314 179.798 177.584 -0.167 0.000 1.186 332 A CA 2.007 53.803 52.037 -0.402 0.000 0.620 332 A CB -1.116 17.791 19.000 -0.155 0.000 0.822 332 A HN 0.491 nan 8.150 nan 0.000 0.443 333 T N 0.421 114.929 114.554 -0.075 0.000 2.788 333 T HA -0.033 4.317 4.350 0.001 0.000 0.268 333 T C 2.187 176.836 174.700 -0.084 0.000 1.044 333 T CA 1.572 63.651 62.100 -0.035 0.000 1.139 333 T CB -0.463 68.382 68.868 -0.039 0.000 0.867 333 T HN 0.601 nan 8.240 nan 0.000 0.454 334 A N 1.026 123.772 122.820 -0.122 0.000 1.877 334 A HA -0.058 4.262 4.320 0.001 0.000 0.216 334 A C 2.604 180.130 177.584 -0.097 0.000 1.186 334 A CA 1.468 53.439 52.037 -0.109 0.000 0.620 334 A CB -1.067 17.863 19.000 -0.117 0.000 0.822 334 A HN 0.348 nan 8.150 nan 0.000 0.443 335 V N 0.286 120.139 119.914 -0.102 0.000 2.295 335 V HA -0.283 3.837 4.120 0.001 0.000 0.246 335 V C 2.449 178.490 176.094 -0.088 0.000 1.049 335 V CA 2.103 64.356 62.300 -0.078 0.000 1.024 335 V CB -0.727 31.084 31.823 -0.019 0.000 0.648 335 V HN 0.575 nan 8.190 nan 0.000 0.447 336 I N 0.348 120.868 120.570 -0.084 0.000 2.163 336 I HA -0.276 3.894 4.170 0.001 0.000 0.243 336 I C 2.388 178.463 176.117 -0.069 0.000 1.085 336 I CA 2.146 63.401 61.300 -0.074 0.000 1.347 336 I CB -0.456 37.506 38.000 -0.063 0.000 1.044 336 I HN 0.393 nan 8.210 nan 0.000 0.408 337 D N 0.601 120.964 120.400 -0.061 0.000 2.097 337 D HA -0.135 4.505 4.640 0.001 0.000 0.197 337 D C 2.180 178.421 176.300 -0.099 0.000 0.984 337 D CA 1.203 55.173 54.000 -0.051 0.000 0.826 337 D CB 0.026 40.810 40.800 -0.028 0.000 0.973 337 D HN 0.062 nan 8.370 nan 0.000 0.460 338 V N -0.049 119.787 119.914 -0.130 0.000 2.343 338 V HA -0.194 3.927 4.120 0.001 0.000 0.247 338 V C 2.668 178.535 176.094 -0.377 0.000 1.051 338 V CA 1.208 63.372 62.300 -0.227 0.000 1.036 338 V CB -0.352 31.373 31.823 -0.164 0.000 0.654 338 V HN 0.136 nan 8.190 nan 0.000 0.451 339 V N 0.267 120.027 119.914 -0.257 0.000 2.407 339 V HA -0.265 3.855 4.120 0.001 0.000 0.248 339 V C 2.676 178.639 176.094 -0.217 0.000 1.055 339 V CA 2.007 64.159 62.300 -0.247 0.000 1.049 339 V CB -1.009 30.730 31.823 -0.140 0.000 0.662 339 V HN 0.571 nan 8.190 nan 0.000 0.455 340 A N -0.311 122.417 122.820 -0.153 0.000 1.902 340 A HA -0.239 4.081 4.320 0.001 0.000 0.217 340 A C 2.184 179.699 177.584 -0.115 0.000 1.181 340 A CA 1.988 53.969 52.037 -0.093 0.000 0.623 340 A CB -0.458 18.514 19.000 -0.047 0.000 0.818 340 A HN 0.529 nan 8.150 nan 0.000 0.443 341 E N -0.200 119.884 120.200 -0.194 0.000 2.106 341 E HA -0.149 4.201 4.350 0.001 0.000 0.192 341 E C 2.205 178.616 176.600 -0.315 0.000 0.984 341 E CA 1.032 57.321 56.400 -0.185 0.000 0.806 341 E CB -0.221 29.371 29.700 -0.179 0.000 0.750 341 E HN 0.416 nan 8.360 nan 0.000 0.458 342 R N 0.538 120.605 120.500 -0.720 0.000 2.092 342 R HA -0.077 4.263 4.340 0.001 0.000 0.231 342 R C 1.337 177.561 176.300 -0.127 0.000 1.119 342 R CA 1.412 57.068 56.100 -0.741 0.000 0.970 342 R CB -0.479 29.282 30.300 -0.900 0.000 0.864 342 R HN 0.204 nan 8.270 nan 0.000 0.440 343 N N 1.131 119.784 118.700 -0.078 0.000 2.188 343 N HA -0.147 4.593 4.740 0.001 0.000 0.184 343 N C 1.637 177.255 175.510 0.180 0.000 1.018 343 N CA 1.005 54.115 53.050 0.101 0.000 0.858 343 N CB -0.210 38.316 38.487 0.064 0.000 0.989 343 N HN 0.317 nan 8.380 nan 0.000 0.426 344 K N -0.147 120.319 120.400 0.109 0.000 2.057 344 K HA -0.151 4.169 4.320 0.001 0.000 0.206 344 K C 1.990 178.691 176.600 0.168 0.000 1.050 344 K CA 0.847 57.204 56.287 0.117 0.000 0.935 344 K CB -0.211 32.341 32.500 0.087 0.000 0.715 344 K HN 0.099 nan 8.250 nan 0.000 0.439 345 Y N 0.341 120.701 120.300 0.099 0.000 2.224 345 Y HA -0.251 4.300 4.550 0.000 0.000 0.289 345 Y C 1.917 177.905 175.900 0.148 0.000 1.146 345 Y CA 1.810 59.997 58.100 0.146 0.000 1.182 345 Y CB -0.330 38.302 38.460 0.287 0.000 0.983 345 Y HN 0.165 nan 8.280 nan 0.000 0.524 346 F N 1.115 121.164 119.950 0.165 0.000 2.134 346 F HA -0.164 4.363 4.527 0.000 0.000 0.299 346 F C 2.130 177.946 175.800 0.026 0.000 1.097 346 F CA 2.119 60.179 58.000 0.099 0.000 1.264 346 F CB -0.535 38.560 39.000 0.158 0.000 1.001 346 F HN 0.089 nan 8.300 nan 0.000 0.479 347 E N -0.093 120.074 120.200 -0.055 0.000 2.150 347 E HA -0.202 4.149 4.350 0.001 0.000 0.193 347 E C 2.000 178.485 176.600 -0.193 0.000 0.985 347 E CA 1.517 57.814 56.400 -0.170 0.000 0.814 347 E CB -0.156 29.537 29.700 -0.010 0.000 0.752 347 E HN 0.632 nan 8.360 nan 0.000 0.466 348 E N -0.376 119.726 120.200 -0.162 0.000 2.122 348 E HA -0.084 4.266 4.350 0.001 0.000 0.190 348 E C 1.994 178.446 176.600 -0.247 0.000 0.977 348 E CA 1.540 57.832 56.400 -0.180 0.000 0.820 348 E CB 0.147 29.750 29.700 -0.162 0.000 0.770 348 E HN 0.235 nan 8.360 nan 0.000 0.462 349 T N -3.821 110.529 114.554 -0.341 0.000 2.971 349 T HA 0.319 4.670 4.350 0.001 0.000 0.252 349 T C 1.589 176.146 174.700 -0.239 0.000 1.022 349 T CA 0.378 62.287 62.100 -0.319 0.000 0.980 349 T CB 0.904 69.479 68.868 -0.489 0.000 1.044 349 T HN 0.259 nan 8.240 nan 0.000 0.501 350 G N 1.709 110.312 108.800 -0.329 0.000 2.179 350 G HA2 -0.202 3.758 3.960 0.001 0.000 0.260 350 G HA3 -0.202 3.758 3.960 0.001 0.000 0.260 350 G C -0.008 174.871 174.900 -0.036 0.000 0.977 350 G CA 0.211 45.102 45.100 -0.349 0.000 0.641 350 G HN 0.675 nan 8.290 nan 0.000 0.533 351 I N 0.380 121.001 120.570 0.085 0.000 2.331 351 I HA 0.424 4.594 4.170 0.001 0.000 0.292 351 I C -0.034 176.354 176.117 0.450 0.000 0.998 351 I CA -1.153 60.294 61.300 0.245 0.000 1.267 351 I CB 1.163 39.290 38.000 0.212 0.000 1.386 351 I HN 0.118 nan 8.210 nan 0.000 0.476 352 Y N 7.786 128.130 120.300 0.072 0.000 2.353 352 Y HA 0.542 5.093 4.550 0.000 0.000 0.340 352 Y C -0.439 175.321 175.900 -0.234 0.000 0.972 352 Y CA -0.553 57.414 58.100 -0.222 0.000 1.157 352 Y CB 0.757 38.669 38.460 -0.913 0.000 1.157 352 Y HN 0.379 nan 8.280 nan 0.000 0.495 353 I N 9.811 130.126 120.570 -0.426 0.000 2.328 353 I HA 0.317 4.488 4.170 0.001 0.000 0.287 353 I C -2.326 173.610 176.117 -0.300 0.000 1.012 353 I CA -2.263 58.922 61.300 -0.191 0.000 1.195 353 I CB 1.276 39.278 38.000 0.004 0.000 1.350 353 I HN 0.498 nan 8.210 nan 0.000 0.464 354 P HA 0.063 nan 4.420 nan 0.000 0.269 354 P C -0.755 176.600 177.300 0.092 0.000 1.209 354 P CA -0.123 63.059 63.100 0.137 0.000 0.776 354 P CB 0.764 32.743 31.700 0.465 0.000 0.876 355 V N 0.490 120.361 119.914 -0.072 0.000 2.769 355 V HA 0.653 4.774 4.120 0.001 0.000 0.312 355 V C -0.780 175.014 176.094 -0.499 0.000 1.061 355 V CA -0.973 61.237 62.300 -0.150 0.000 0.931 355 V CB 1.772 33.526 31.823 -0.116 0.000 1.010 355 V HN 0.701 nan 8.190 nan 0.000 0.433 356 C N 3.292 122.282 119.300 -0.517 0.000 2.345 356 C HA 0.726 5.186 4.460 0.001 0.000 0.323 356 C C 0.553 175.371 174.990 -0.287 0.000 1.276 356 C CA 0.063 58.637 59.018 -0.740 0.000 1.543 356 C CB 0.657 27.909 27.740 -0.812 0.000 2.211 356 C HN 1.205 nan 8.230 nan 0.000 0.493 357 S N 3.929 119.507 115.700 -0.203 0.000 2.422 357 S HA 0.278 4.748 4.470 0.001 0.000 0.283 357 S C -0.516 174.082 174.600 -0.004 0.000 1.163 357 S CA -0.018 58.157 58.200 -0.042 0.000 1.054 357 S CB -0.120 63.110 63.200 0.050 0.000 0.967 357 S HN 0.873 nan 8.310 nan 0.000 0.499 358 D N 3.897 124.303 120.400 0.009 0.000 2.392 358 D HA 0.605 5.245 4.640 0.001 0.000 0.228 358 D C 0.365 176.698 176.300 0.053 0.000 1.074 358 D CA 0.894 54.916 54.000 0.036 0.000 0.838 358 D CB 0.657 41.472 40.800 0.024 0.000 1.067 358 D HN 0.905 nan 8.370 nan 0.000 0.511 359 G N 1.956 110.803 108.800 0.079 0.000 2.730 359 G HA2 0.382 4.342 3.960 0.001 0.000 0.686 359 G HA3 0.382 4.342 3.960 0.001 0.000 0.686 359 G C 0.727 175.691 174.900 0.107 0.000 1.343 359 G CA 0.021 45.169 45.100 0.080 0.000 0.826 359 G HN 1.478 nan 8.290 nan 0.000 0.582 360 G N -1.310 107.546 108.800 0.094 0.000 2.176 360 G HA2 -0.106 3.854 3.960 0.001 0.000 0.253 360 G HA3 -0.106 3.854 3.960 0.001 0.000 0.253 360 G C 0.523 175.562 174.900 0.232 0.000 0.979 360 G CA 0.604 45.778 45.100 0.123 0.000 0.641 360 G HN 1.644 nan 8.290 nan 0.000 0.530 361 I N 2.110 122.771 120.570 0.152 0.000 2.347 361 I HA 0.218 4.388 4.170 0.001 0.000 0.294 361 I C 1.665 177.783 176.117 0.002 0.000 1.090 361 I CA 0.157 61.508 61.300 0.086 0.000 1.314 361 I CB 0.835 38.793 38.000 -0.070 0.000 1.423 361 I HN -0.040 nan 8.210 nan 0.000 0.503 362 V N 7.226 127.147 119.914 0.012 0.000 2.788 362 V HA 0.039 4.159 4.120 0.001 0.000 0.241 362 V C 0.031 175.675 176.094 -0.750 0.000 1.083 362 V CA 0.768 62.816 62.300 -0.420 0.000 1.103 362 V CB -0.226 31.260 31.823 -0.562 0.000 0.800 362 V HN 0.505 nan 8.190 nan 0.000 0.476 363 Y N -0.202 119.796 120.300 -0.504 0.000 2.562 363 Y HA 0.439 4.989 4.550 0.001 0.000 0.343 363 Y C 1.151 176.841 175.900 -0.349 0.000 1.025 363 Y CA -1.559 56.295 58.100 -0.410 0.000 1.082 363 Y CB 0.543 38.745 38.460 -0.430 0.000 1.264 363 Y HN -0.121 nan 8.280 nan 0.000 0.478 364 D N 0.347 120.773 120.400 0.042 0.000 2.133 364 D HA -0.247 4.393 4.640 0.001 0.000 0.195 364 D C 1.826 178.126 176.300 -0.001 0.000 0.997 364 D CA 2.013 56.014 54.000 0.002 0.000 0.840 364 D CB -0.327 40.513 40.800 0.066 0.000 0.947 364 D HN 0.805 nan 8.370 nan 0.000 0.452 365 Y N 0.033 120.319 120.300 -0.022 0.000 2.483 365 Y HA -0.116 4.434 4.550 0.001 0.000 0.291 365 Y C 1.913 177.847 175.900 0.056 0.000 1.143 365 Y CA 1.063 59.167 58.100 0.007 0.000 1.289 365 Y CB -0.651 37.824 38.460 0.023 0.000 0.983 365 Y HN 0.010 nan 8.280 nan 0.000 0.556 366 H N 0.327 119.033 119.070 -0.607 0.000 2.457 366 H HA -0.050 4.506 4.556 0.000 0.000 0.294 366 H C 1.959 176.900 175.328 -0.645 0.000 1.064 366 H CA 1.548 57.164 56.048 -0.721 0.000 1.330 366 H CB -0.298 29.097 29.762 -0.611 0.000 1.395 366 H HN 0.497 nan 8.280 nan 0.000 0.541 367 M N -0.452 118.985 119.600 -0.272 0.000 2.086 367 M HA -0.147 4.333 4.480 0.001 0.000 0.261 367 M C 2.151 178.333 176.300 -0.198 0.000 1.067 367 M CA 1.936 57.087 55.300 -0.249 0.000 1.116 367 M CB -0.302 32.187 32.600 -0.185 0.000 1.348 367 M HN 0.135 nan 8.290 nan 0.000 0.407 368 T N 1.319 115.805 114.554 -0.113 0.000 2.746 368 T HA -0.104 4.246 4.350 0.001 0.000 0.267 368 T C 1.856 176.506 174.700 -0.084 0.000 1.039 368 T CA 1.156 63.223 62.100 -0.056 0.000 1.142 368 T CB -0.417 68.463 68.868 0.019 0.000 0.866 368 T HN 0.292 nan 8.240 nan 0.000 0.444 369 L N 0.722 121.867 121.223 -0.129 0.000 2.017 369 L HA -0.095 4.245 4.340 0.001 0.000 0.208 369 L C 3.111 179.845 176.870 -0.226 0.000 1.073 369 L CA 1.282 56.034 54.840 -0.147 0.000 0.745 369 L CB -0.736 41.231 42.059 -0.152 0.000 0.894 369 L HN 0.258 nan 8.230 nan 0.000 0.432 370 A N 0.183 122.738 122.820 -0.442 0.000 1.883 370 A HA -0.194 4.127 4.320 0.001 0.000 0.217 370 A C 2.241 179.752 177.584 -0.122 0.000 1.186 370 A CA 1.600 53.462 52.037 -0.292 0.000 0.624 370 A CB -0.771 17.992 19.000 -0.395 0.000 0.822 370 A HN 0.364 nan 8.150 nan 0.000 0.444 371 L N -0.909 120.242 121.223 -0.119 0.000 2.017 371 L HA -0.184 4.156 4.340 0.001 0.000 0.208 371 L C 3.108 179.954 176.870 -0.040 0.000 1.073 371 L CA 1.089 55.895 54.840 -0.057 0.000 0.745 371 L CB -0.630 41.404 42.059 -0.041 0.000 0.894 371 L HN 0.436 nan 8.230 nan 0.000 0.432 372 A N -0.179 122.612 122.820 -0.048 0.000 1.933 372 A HA -0.211 4.109 4.320 0.001 0.000 0.218 372 A C 2.226 179.788 177.584 -0.037 0.000 1.175 372 A CA 1.688 53.706 52.037 -0.032 0.000 0.628 372 A CB -0.520 18.465 19.000 -0.025 0.000 0.814 372 A HN 0.397 nan 8.150 nan 0.000 0.444 373 M N -1.569 117.999 119.600 -0.053 0.000 2.630 373 M HA 0.104 4.585 4.480 0.001 0.000 0.254 373 M C 1.447 177.719 176.300 -0.047 0.000 1.092 373 M CA 1.004 56.269 55.300 -0.060 0.000 1.087 373 M CB 0.144 32.705 32.600 -0.065 0.000 1.453 373 M HN 0.654 nan 8.290 nan 0.000 0.509 374 G N -0.293 108.486 108.800 -0.034 0.000 2.296 374 G HA2 -0.107 3.853 3.960 0.001 0.000 0.188 374 G HA3 -0.107 3.853 3.960 0.001 0.000 0.188 374 G C 0.184 175.066 174.900 -0.030 0.000 1.000 374 G CA -0.256 44.828 45.100 -0.027 0.000 0.672 374 G HN 0.624 nan 8.290 nan 0.000 0.483 375 A N 0.737 123.529 122.820 -0.047 0.000 2.477 375 A HA 0.515 4.836 4.320 0.001 0.000 0.246 375 A C 1.140 178.704 177.584 -0.034 0.000 1.078 375 A CA 0.941 52.930 52.037 -0.079 0.000 0.770 375 A CB 0.228 19.173 19.000 -0.091 0.000 1.011 375 A HN 0.265 nan 8.150 nan 0.000 0.494 376 D N 0.734 121.115 120.400 -0.030 0.000 2.183 376 D HA 0.108 4.749 4.640 0.001 0.000 0.205 376 D C 0.113 176.556 176.300 0.239 0.000 0.962 376 D CA 1.565 55.651 54.000 0.145 0.000 0.849 376 D CB 0.048 41.028 40.800 0.301 0.000 0.978 376 D HN 0.630 nan 8.370 nan 0.000 0.488 377 F N -0.733 119.217 119.950 -0.001 0.000 2.685 377 F HA 0.590 5.117 4.527 0.001 0.000 0.315 377 F C -1.309 174.482 175.800 -0.015 0.000 1.126 377 F CA -1.475 56.515 58.000 -0.017 0.000 0.950 377 F CB 0.998 39.978 39.000 -0.033 0.000 1.360 377 F HN -0.397 nan 8.300 nan 0.000 0.469 378 I N 2.499 123.182 120.570 0.188 0.000 2.509 378 I HA 0.461 4.631 4.170 0.001 0.000 0.293 378 I C -0.880 175.343 176.117 0.177 0.000 1.020 378 I CA -0.822 60.525 61.300 0.079 0.000 1.088 378 I CB 2.133 40.136 38.000 0.004 0.000 1.267 378 I HN 0.736 nan 8.210 nan 0.000 0.430 379 M N 6.995 126.676 119.600 0.134 0.000 2.268 379 M HA 0.635 5.115 4.480 0.001 0.000 0.344 379 M C -1.943 174.460 176.300 0.172 0.000 1.106 379 M CA -0.452 54.961 55.300 0.189 0.000 1.010 379 M CB 1.148 33.832 32.600 0.140 0.000 1.649 379 M HN 0.434 nan 8.290 nan 0.000 0.443 380 L N 3.998 125.384 121.223 0.271 0.000 2.401 380 L HA 0.712 5.053 4.340 0.001 0.000 0.266 380 L C 0.417 177.477 176.870 0.316 0.000 0.991 380 L CA -0.264 54.711 54.840 0.224 0.000 0.818 380 L CB 2.025 44.135 42.059 0.086 0.000 1.321 380 L HN 0.848 nan 8.230 nan 0.000 0.413 381 G N 0.041 108.950 108.800 0.183 0.000 2.805 381 G HA2 0.030 3.991 3.960 0.001 0.000 0.214 381 G HA3 0.030 3.991 3.960 0.001 0.000 0.214 381 G C 1.277 176.075 174.900 -0.171 0.000 1.220 381 G CA 0.103 45.303 45.100 0.168 0.000 0.854 381 G HN 0.532 nan 8.290 nan 0.000 0.623 382 R N -0.688 119.556 120.500 -0.427 0.000 2.096 382 R HA -0.186 4.155 4.340 0.001 0.000 0.240 382 R C 2.195 178.173 176.300 -0.537 0.000 1.139 382 R CA 1.871 57.483 56.100 -0.813 0.000 0.952 382 R CB -0.623 29.393 30.300 -0.473 0.000 0.854 382 R HN 0.397 nan 8.270 nan 0.000 0.436 383 Y N 0.174 120.178 120.300 -0.492 0.000 2.114 383 Y HA -0.280 4.270 4.550 0.000 0.000 0.282 383 Y C 1.680 176.985 175.900 -0.992 0.000 1.165 383 Y CA 2.205 59.920 58.100 -0.643 0.000 1.148 383 Y CB -0.404 37.676 38.460 -0.633 0.000 0.972 383 Y HN 0.042 nan 8.280 nan 0.000 0.504 384 F N -0.766 118.910 119.950 -0.456 0.000 2.416 384 F HA 0.124 4.651 4.527 0.001 0.000 0.296 384 F C 2.449 177.898 175.800 -0.585 0.000 1.099 384 F CA 0.685 58.342 58.000 -0.571 0.000 1.427 384 F CB -0.991 37.988 39.000 -0.034 0.000 1.079 384 F HN 0.108 nan 8.300 nan 0.000 0.536 385 A N 0.532 123.142 122.820 -0.349 0.000 2.024 385 A HA -0.189 4.131 4.320 0.001 0.000 0.220 385 A C 2.227 179.643 177.584 -0.280 0.000 1.164 385 A CA 1.341 53.204 52.037 -0.290 0.000 0.643 385 A CB -0.626 18.089 19.000 -0.475 0.000 0.806 385 A HN 0.338 nan 8.150 nan 0.000 0.451 386 R N -1.501 118.694 120.500 -0.508 0.000 2.237 386 R HA 0.026 4.366 4.340 0.001 0.000 0.219 386 R C -0.391 175.813 176.300 -0.160 0.000 1.080 386 R CA 0.179 56.060 56.100 -0.365 0.000 0.995 386 R CB -0.197 29.788 30.300 -0.525 0.000 0.875 386 R HN 0.457 nan 8.270 nan 0.000 0.462 387 F N 0.825 120.727 119.950 -0.080 0.000 2.380 387 F HA 0.062 4.589 4.527 0.000 0.000 0.325 387 F C 1.776 177.633 175.800 0.095 0.000 1.136 387 F CA -1.531 56.436 58.000 -0.055 0.000 1.171 387 F CB 0.444 39.418 39.000 -0.043 0.000 1.230 387 F HN -0.179 nan 8.300 nan 0.000 0.554 388 E N 1.081 121.500 120.200 0.366 0.000 2.130 388 E HA -0.239 4.111 4.350 0.001 0.000 0.196 388 E C 1.353 178.074 176.600 0.202 0.000 0.998 388 E CA 1.819 58.426 56.400 0.344 0.000 0.806 388 E CB -0.084 29.780 29.700 0.273 0.000 0.738 388 E HN 0.639 nan 8.360 nan 0.000 0.459 389 E N 0.182 120.487 120.200 0.176 0.000 2.482 389 E HA 0.010 4.361 4.350 0.001 0.000 0.196 389 E C 0.332 176.994 176.600 0.103 0.000 1.047 389 E CA 0.573 57.038 56.400 0.108 0.000 0.869 389 E CB -0.039 29.698 29.700 0.063 0.000 0.836 389 E HN 0.278 nan 8.360 nan 0.000 0.520 390 S N 1.187 116.967 115.700 0.133 0.000 2.572 390 S HA 0.085 4.555 4.470 0.001 0.000 0.279 390 S C -1.651 172.988 174.600 0.065 0.000 1.341 390 S CA -1.111 57.136 58.200 0.078 0.000 1.043 390 S CB 0.801 64.032 63.200 0.052 0.000 0.887 390 S HN -0.054 nan 8.310 nan 0.000 0.516 391 P HA 0.092 nan 4.420 nan 0.000 0.256 391 P C 0.353 177.701 177.300 0.079 0.000 1.335 391 P CA 0.076 63.212 63.100 0.060 0.000 0.808 391 P CB -0.702 31.037 31.700 0.065 0.000 1.305 392 T N -2.783 111.821 114.554 0.083 0.000 2.948 392 T HA 0.440 4.790 4.350 0.001 0.000 0.285 392 T C 0.386 175.169 174.700 0.139 0.000 1.019 392 T CA -1.026 61.165 62.100 0.152 0.000 1.013 392 T CB 1.464 70.433 68.868 0.169 0.000 1.117 392 T HN -0.088 nan 8.240 nan 0.000 0.533 393 R N 1.007 121.604 120.500 0.161 0.000 2.438 393 R HA 0.250 4.591 4.340 0.001 0.000 0.287 393 R C 0.151 176.509 176.300 0.096 0.000 1.077 393 R CA -0.503 55.664 56.100 0.112 0.000 1.034 393 R CB 0.648 31.013 30.300 0.109 0.000 0.993 393 R HN 0.608 nan 8.270 nan 0.000 0.459 394 K N 3.439 123.856 120.400 0.027 0.000 2.267 394 K HA 0.169 4.490 4.320 0.001 0.000 0.282 394 K C -0.482 176.090 176.600 -0.047 0.000 1.078 394 K CA -0.392 55.869 56.287 -0.043 0.000 0.903 394 K CB 0.702 33.104 32.500 -0.163 0.000 1.111 394 K HN 0.448 nan 8.250 nan 0.000 0.475 395 V N 1.022 120.915 119.914 -0.035 0.000 2.628 395 V HA 0.514 4.634 4.120 0.001 0.000 0.306 395 V C -0.451 175.571 176.094 -0.122 0.000 1.045 395 V CA -0.645 61.614 62.300 -0.068 0.000 0.905 395 V CB 1.711 33.497 31.823 -0.060 0.000 0.997 395 V HN 0.610 nan 8.190 nan 0.000 0.436 396 T N 6.457 120.945 114.554 -0.110 0.000 2.756 396 T HA 0.652 5.002 4.350 0.001 0.000 0.290 396 T C -0.193 174.440 174.700 -0.111 0.000 0.985 396 T CA 0.052 62.090 62.100 -0.104 0.000 0.955 396 T CB 0.470 69.291 68.868 -0.078 0.000 0.930 396 T HN 0.649 nan 8.240 nan 0.000 0.451 397 I N 3.943 124.435 120.570 -0.129 0.000 2.390 397 I HA 0.296 4.466 4.170 0.001 0.000 0.283 397 I C -0.041 176.031 176.117 -0.075 0.000 1.016 397 I CA -0.826 60.401 61.300 -0.122 0.000 1.151 397 I CB 0.727 38.611 38.000 -0.194 0.000 1.293 397 I HN 0.619 nan 8.210 nan 0.000 0.458 398 N N 5.167 123.836 118.700 -0.052 0.000 2.756 398 N HA -0.189 4.551 4.740 0.001 0.000 0.248 398 N C 0.933 176.428 175.510 -0.026 0.000 1.062 398 N CA 1.095 54.126 53.050 -0.032 0.000 0.696 398 N CB -0.980 37.491 38.487 -0.026 0.000 0.946 398 N HN 1.176 nan 8.380 nan 0.000 0.548 399 G N -1.811 106.972 108.800 -0.028 0.000 2.205 399 G HA2 -0.315 3.645 3.960 0.001 0.000 0.261 399 G HA3 -0.315 3.645 3.960 0.001 0.000 0.261 399 G C -0.026 174.865 174.900 -0.014 0.000 0.980 399 G CA 0.529 45.618 45.100 -0.018 0.000 0.632 399 G HN 0.536 nan 8.290 nan 0.000 0.533 400 S N 0.355 116.039 115.700 -0.025 0.000 2.448 400 S HA 0.562 5.033 4.470 0.001 0.000 0.320 400 S C 0.370 174.951 174.600 -0.031 0.000 1.071 400 S CA -0.443 57.748 58.200 -0.015 0.000 1.113 400 S CB 1.993 65.184 63.200 -0.015 0.000 0.972 400 S HN 0.597 nan 8.310 nan 0.000 0.465 401 V N 6.220 126.132 119.914 -0.003 0.000 2.470 401 V HA 0.304 4.425 4.120 0.001 0.000 0.276 401 V C 0.188 176.298 176.094 0.028 0.000 1.040 401 V CA 0.170 62.452 62.300 -0.031 0.000 1.008 401 V CB 0.276 32.063 31.823 -0.061 0.000 0.990 401 V HN 0.756 nan 8.190 nan 0.000 0.477 402 M N 4.697 124.285 119.600 -0.019 0.000 2.755 402 M HA 0.661 5.141 4.480 0.001 0.000 0.298 402 M C -0.649 175.712 176.300 0.102 0.000 1.251 402 M CA -0.902 54.429 55.300 0.052 0.000 0.817 402 M CB 2.321 34.904 32.600 -0.028 0.000 1.760 402 M HN 0.405 nan 8.290 nan 0.000 0.473 403 K N 0.604 121.123 120.400 0.199 0.000 2.426 403 K HA 0.496 4.816 4.320 0.001 0.000 0.251 403 K C -0.942 175.852 176.600 0.323 0.000 0.941 403 K CA -0.731 55.687 56.287 0.218 0.000 0.808 403 K CB 2.590 35.188 32.500 0.163 0.000 1.265 403 K HN 0.585 nan 8.250 nan 0.000 0.432 404 E N 1.096 121.494 120.200 0.330 0.000 2.383 404 E HA 0.119 4.469 4.350 0.001 0.000 0.264 404 E C -1.141 175.625 176.600 0.277 0.000 1.050 404 E CA -0.108 56.489 56.400 0.327 0.000 0.896 404 E CB 0.564 30.525 29.700 0.435 0.000 0.982 404 E HN 0.320 nan 8.360 nan 0.000 0.424 405 Y N 2.461 122.803 120.300 0.070 0.000 2.358 405 Y HA 0.343 4.894 4.550 0.000 0.000 0.324 405 Y C -2.097 173.833 175.900 0.050 0.000 1.123 405 Y CA -1.207 56.839 58.100 -0.090 0.000 1.067 405 Y CB 0.790 39.195 38.460 -0.090 0.000 1.230 405 Y HN 0.643 nan 8.280 nan 0.000 0.429 406 W N 4.530 125.527 121.300 -0.506 0.000 3.032 406 W HA 0.879 5.539 4.660 0.000 0.000 0.335 406 W C -0.506 175.703 176.519 -0.516 0.000 1.154 406 W CA -1.728 55.345 57.345 -0.454 0.000 1.204 406 W CB 0.858 30.167 29.460 -0.251 0.000 1.416 406 W HN 0.889 nan 8.180 nan 0.000 0.521 407 G N 1.508 110.191 108.800 -0.195 0.000 2.569 407 G HA2 0.160 4.120 3.960 0.001 0.000 0.249 407 G HA3 0.160 4.120 3.960 0.001 0.000 0.249 407 G C 0.413 175.309 174.900 -0.006 0.000 1.216 407 G CA -0.456 44.537 45.100 -0.179 0.000 0.845 407 G HN 0.697 nan 8.290 nan 0.000 0.568 408 E N 1.192 121.374 120.200 -0.030 0.000 2.418 408 E HA -0.054 4.297 4.350 0.001 0.000 0.197 408 E C 2.303 178.952 176.600 0.082 0.000 1.026 408 E CA 0.761 57.192 56.400 0.051 0.000 0.862 408 E CB 0.171 29.892 29.700 0.036 0.000 0.799 408 E HN 0.560 nan 8.360 nan 0.000 0.518 409 G N 1.171 110.000 108.800 0.049 0.000 2.939 409 G HA2 -0.080 3.880 3.960 0.001 0.000 0.210 409 G HA3 -0.080 3.880 3.960 0.001 0.000 0.210 409 G C 0.759 175.684 174.900 0.042 0.000 1.160 409 G CA 0.268 45.394 45.100 0.044 0.000 0.770 409 G HN 0.230 nan 8.290 nan 0.000 0.543 410 S N 0.472 116.206 115.700 0.057 0.000 2.585 410 S HA 0.260 4.730 4.470 0.001 0.000 0.273 410 S C 1.759 176.373 174.600 0.023 0.000 1.339 410 S CA 0.463 58.684 58.200 0.034 0.000 1.028 410 S CB 1.631 64.857 63.200 0.044 0.000 0.906 410 S HN 0.392 nan 8.310 nan 0.000 0.528 411 S N 1.840 117.533 115.700 -0.012 0.000 2.419 411 S HA -0.219 4.251 4.470 0.001 0.000 0.233 411 S C 1.785 176.360 174.600 -0.041 0.000 1.016 411 S CA 0.925 59.114 58.200 -0.020 0.000 0.974 411 S CB -0.640 62.540 63.200 -0.034 0.000 0.786 411 S HN 0.849 nan 8.310 nan 0.000 0.492 412 R N 1.464 121.901 120.500 -0.104 0.000 2.152 412 R HA 0.011 4.351 4.340 0.001 0.000 0.232 412 R C 2.210 178.411 176.300 -0.166 0.000 1.117 412 R CA 1.162 57.127 56.100 -0.226 0.000 0.981 412 R CB -0.566 29.458 30.300 -0.461 0.000 0.870 412 R HN 0.537 nan 8.270 nan 0.000 0.451 413 A N 1.855 124.682 122.820 0.012 0.000 1.844 413 A HA -0.044 4.277 4.320 0.001 0.000 0.212 413 A C 0.738 178.464 177.584 0.236 0.000 1.221 413 A CA 0.669 52.830 52.037 0.207 0.000 0.607 413 A CB -0.230 18.952 19.000 0.303 0.000 0.878 413 A HN 0.439 nan 8.150 nan 0.000 0.451 414 R N 0.018 120.638 120.500 0.201 0.000 2.210 414 R HA 0.470 4.810 4.340 0.001 0.000 0.338 414 R C -0.507 175.867 176.300 0.125 0.000 1.062 414 R CA 0.085 56.329 56.100 0.241 0.000 0.902 414 R CB 0.226 30.622 30.300 0.159 0.000 1.050 414 R HN 0.379 nan 8.270 nan 0.000 0.461 415 N N 3.227 122.018 118.700 0.151 0.000 1.893 415 N HA -0.029 4.711 4.740 0.001 0.000 0.222 415 N C -0.717 174.825 175.510 0.053 0.000 1.463 415 N CA -0.254 52.816 53.050 0.033 0.000 0.739 415 N CB 0.298 38.806 38.487 0.035 0.000 1.051 415 N HN 0.730 nan 8.380 nan 0.000 0.601 431 E N -0.415 119.785 120.200 0.000 0.000 2.849 431 E HA 0.623 4.973 4.350 0.001 0.000 0.257 431 E C -0.678 175.921 176.600 -0.001 0.000 1.306 431 E CA -0.412 55.988 56.400 0.000 0.000 1.058 431 E CB 1.233 30.935 29.700 0.004 0.000 1.249 431 E HN 0.702 nan 8.360 nan 0.000 0.638 432 G N -0.364 108.435 108.800 -0.003 0.000 2.030 432 G HA2 0.380 4.340 3.960 0.001 0.000 0.309 432 G HA3 0.380 4.340 3.960 0.001 0.000 0.309 432 G C -1.824 173.070 174.900 -0.011 0.000 1.668 432 G CA -0.549 44.547 45.100 -0.007 0.000 0.926 432 G HN 0.358 nan 8.290 nan 0.000 0.652 433 V N 2.496 122.405 119.914 -0.009 0.000 2.610 433 V HA 0.625 4.746 4.120 0.001 0.000 0.298 433 V C -1.424 174.663 176.094 -0.011 0.000 1.067 433 V CA -0.814 61.475 62.300 -0.018 0.000 0.894 433 V CB 2.038 33.843 31.823 -0.031 0.000 1.015 433 V HN 0.773 nan 8.190 nan 0.000 0.432 434 D N 2.805 123.190 120.400 -0.025 0.000 2.757 434 D HA 0.799 5.439 4.640 0.001 0.000 0.249 434 D C -0.481 175.765 176.300 -0.090 0.000 1.168 434 D CA 0.215 54.195 54.000 -0.033 0.000 0.870 434 D CB 2.624 43.369 40.800 -0.092 0.000 1.411 434 D HN 0.756 nan 8.370 nan 0.000 0.525 435 S N 1.564 117.195 115.700 -0.114 0.000 2.757 435 S HA 0.625 5.096 4.470 0.001 0.000 0.285 435 S C -1.514 172.923 174.600 -0.272 0.000 1.196 435 S CA -0.726 57.374 58.200 -0.167 0.000 0.856 435 S CB 1.123 64.336 63.200 0.023 0.000 1.212 435 S HN 0.311 nan 8.310 nan 0.000 0.516 436 Y N -0.015 120.365 120.300 0.134 0.000 2.524 436 Y HA 0.724 5.274 4.550 0.000 0.000 0.344 436 Y C -0.097 175.853 175.900 0.084 0.000 1.012 436 Y CA -0.828 57.342 58.100 0.116 0.000 1.068 436 Y CB 2.181 40.690 38.460 0.081 0.000 1.249 436 Y HN 0.801 nan 8.280 nan 0.000 0.468 437 V N 0.135 120.184 119.914 0.225 0.000 2.735 437 V HA 0.725 4.845 4.120 0.001 0.000 0.310 437 V C -2.886 173.252 176.094 0.074 0.000 1.061 437 V CA -3.019 59.326 62.300 0.074 0.000 0.913 437 V CB 1.950 33.726 31.823 -0.078 0.000 1.005 437 V HN 0.577 nan 8.190 nan 0.000 0.428 438 P HA 0.056 nan 4.420 nan 0.000 0.267 438 P C -0.871 176.470 177.300 0.069 0.000 1.205 438 P CA 0.228 63.361 63.100 0.054 0.000 0.765 438 P CB 0.346 32.060 31.700 0.024 0.000 0.828 439 Y N 3.498 123.790 120.300 -0.013 0.000 2.610 439 Y HA 0.203 4.753 4.550 0.000 0.000 0.332 439 Y C 1.035 176.940 175.900 0.009 0.000 1.201 439 Y CA 0.292 58.392 58.100 -0.000 0.000 1.465 439 Y CB 0.508 38.976 38.460 0.013 0.000 1.283 439 Y HN 0.536 nan 8.280 nan 0.000 0.563 440 A N 3.984 126.502 122.820 -0.504 0.000 2.508 440 A HA 0.581 4.901 4.320 0.001 0.000 0.250 440 A C 1.060 178.320 177.584 -0.541 0.000 1.208 440 A CA 0.484 52.302 52.037 -0.366 0.000 0.960 440 A CB -0.671 18.279 19.000 -0.083 0.000 1.099 440 A HN 1.702 nan 8.150 nan 0.000 0.542 441 G N 0.275 108.360 108.800 -1.193 0.000 2.508 441 G HA2 -0.136 3.824 3.960 0.001 0.000 0.220 441 G HA3 -0.136 3.824 3.960 0.001 0.000 0.220 441 G C -0.660 174.066 174.900 -0.290 0.000 1.287 441 G CA -0.440 44.236 45.100 -0.707 0.000 0.916 441 G HN 0.332 nan 8.290 nan 0.000 0.574 442 K N 0.456 120.729 120.400 -0.211 0.000 2.382 442 K HA 0.223 4.543 4.320 0.001 0.000 0.275 442 K C 1.712 177.994 176.600 -0.529 0.000 1.009 442 K CA 0.097 56.248 56.287 -0.226 0.000 0.970 442 K CB 1.233 33.642 32.500 -0.152 0.000 0.934 442 K HN 0.634 nan 8.250 nan 0.000 0.479 443 L N 3.437 124.293 121.223 -0.611 0.000 2.012 443 L HA -0.263 4.077 4.340 0.001 0.000 0.210 443 L C 2.528 179.023 176.870 -0.626 0.000 1.073 443 L CA 1.803 56.011 54.840 -1.053 0.000 0.748 443 L CB -0.194 41.637 42.059 -0.380 0.000 0.891 443 L HN 0.695 nan 8.230 nan 0.000 0.431 444 K N -0.115 120.090 120.400 -0.324 0.000 2.015 444 K HA -0.278 4.042 4.320 0.001 0.000 0.216 444 K C 1.718 178.212 176.600 -0.176 0.000 1.052 444 K CA 2.443 58.616 56.287 -0.189 0.000 0.937 444 K CB -0.316 32.108 32.500 -0.125 0.000 0.719 444 K HN 0.490 nan 8.250 nan 0.000 0.446 445 D N 0.155 120.439 120.400 -0.194 0.000 2.144 445 D HA -0.144 4.497 4.640 0.001 0.000 0.199 445 D C 1.704 177.918 176.300 -0.143 0.000 0.984 445 D CA 0.863 54.778 54.000 -0.142 0.000 0.834 445 D CB -0.321 40.402 40.800 -0.128 0.000 0.955 445 D HN 0.355 nan 8.370 nan 0.000 0.465 446 N N 0.594 119.144 118.700 -0.251 0.000 2.171 446 N HA -0.083 4.658 4.740 0.001 0.000 0.184 446 N C 2.107 177.612 175.510 -0.009 0.000 1.021 446 N CA 0.493 53.443 53.050 -0.168 0.000 0.854 446 N CB 0.038 38.338 38.487 -0.311 0.000 0.994 446 N HN 0.051 nan 8.380 nan 0.000 0.426 447 V N 1.882 121.776 119.914 -0.034 0.000 2.358 447 V HA -0.190 3.930 4.120 0.001 0.000 0.246 447 V C 2.444 178.572 176.094 0.056 0.000 1.047 447 V CA 1.526 63.895 62.300 0.114 0.000 1.035 447 V CB -0.490 31.400 31.823 0.112 0.000 0.658 447 V HN 0.363 nan 8.190 nan 0.000 0.452 448 E N 0.371 120.573 120.200 0.004 0.000 2.058 448 E HA -0.255 4.095 4.350 0.001 0.000 0.194 448 E C 2.203 178.811 176.600 0.012 0.000 0.997 448 E CA 1.581 57.983 56.400 0.004 0.000 0.801 448 E CB -0.236 29.455 29.700 -0.015 0.000 0.746 448 E HN 0.562 nan 8.360 nan 0.000 0.450 449 A N 0.431 123.257 122.820 0.011 0.000 1.873 449 A HA -0.145 4.175 4.320 0.001 0.000 0.215 449 A C 2.400 180.008 177.584 0.039 0.000 1.186 449 A CA 1.744 53.792 52.037 0.019 0.000 0.616 449 A CB -0.621 18.387 19.000 0.013 0.000 0.823 449 A HN 0.295 nan 8.150 nan 0.000 0.442 450 S N 0.050 115.793 115.700 0.072 0.000 2.353 450 S HA -0.114 4.356 4.470 0.001 0.000 0.222 450 S C 1.806 176.423 174.600 0.029 0.000 1.035 450 S CA 1.588 59.831 58.200 0.073 0.000 1.025 450 S CB -0.498 62.775 63.200 0.122 0.000 0.902 450 S HN 0.505 nan 8.310 nan 0.000 0.440 451 L N 1.617 122.854 121.223 0.025 0.000 2.201 451 L HA -0.074 4.266 4.340 0.001 0.000 0.212 451 L C 2.110 178.986 176.870 0.010 0.000 1.105 451 L CA 0.670 55.516 54.840 0.010 0.000 0.775 451 L CB -0.660 41.408 42.059 0.015 0.000 0.913 451 L HN 0.275 nan 8.230 nan 0.000 0.440 452 N N 0.675 119.383 118.700 0.013 0.000 2.188 452 N HA -0.143 4.597 4.740 0.001 0.000 0.184 452 N C 1.757 177.272 175.510 0.009 0.000 1.018 452 N CA 1.171 54.226 53.050 0.008 0.000 0.858 452 N CB 0.021 38.512 38.487 0.007 0.000 0.989 452 N HN 0.388 nan 8.380 nan 0.000 0.426 453 K N 0.218 120.627 120.400 0.015 0.000 2.062 453 K HA 0.030 4.350 4.320 0.001 0.000 0.205 453 K C 2.014 178.625 176.600 0.018 0.000 1.051 453 K CA 0.558 56.856 56.287 0.018 0.000 0.941 453 K CB -0.029 32.489 32.500 0.030 0.000 0.719 453 K HN -0.079 nan 8.250 nan 0.000 0.440 454 V N 2.176 122.098 119.914 0.013 0.000 2.295 454 V HA -0.268 3.853 4.120 0.001 0.000 0.246 454 V C 2.038 178.136 176.094 0.006 0.000 1.049 454 V CA 1.748 64.052 62.300 0.008 0.000 1.024 454 V CB -0.371 31.447 31.823 -0.009 0.000 0.648 454 V HN 0.288 nan 8.190 nan 0.000 0.447 455 K N -0.197 120.205 120.400 0.004 0.000 2.097 455 K HA -0.155 4.166 4.320 0.001 0.000 0.206 455 K C 2.498 179.099 176.600 0.002 0.000 1.049 455 K CA 1.585 57.873 56.287 0.002 0.000 0.933 455 K CB -0.363 32.137 32.500 0.001 0.000 0.717 455 K HN 0.397 nan 8.250 nan 0.000 0.442 456 S N 0.375 116.076 115.700 0.003 0.000 2.368 456 S HA -0.129 4.341 4.470 0.001 0.000 0.225 456 S C 1.907 176.508 174.600 0.002 0.000 1.030 456 S CA 1.753 59.954 58.200 0.001 0.000 0.999 456 S CB -0.266 62.934 63.200 0.000 0.000 0.844 456 S HN 0.269 nan 8.310 nan 0.000 0.459 457 T N 2.190 116.748 114.554 0.008 0.000 2.788 457 T HA -0.006 4.344 4.350 0.001 0.000 0.268 457 T C 1.815 176.521 174.700 0.009 0.000 1.044 457 T CA 1.475 63.582 62.100 0.011 0.000 1.139 457 T CB -0.283 68.601 68.868 0.025 0.000 0.867 457 T HN 0.392 nan 8.240 nan 0.000 0.454 458 M N 0.380 119.984 119.600 0.007 0.000 2.159 458 M HA -0.107 4.373 4.480 0.001 0.000 0.263 458 M C 2.542 178.843 176.300 0.003 0.000 1.063 458 M CA 1.195 56.497 55.300 0.005 0.000 1.110 458 M CB -0.583 32.019 32.600 0.002 0.000 1.374 458 M HN 0.326 nan 8.290 nan 0.000 0.411 459 c N 0.363 118.964 118.600 0.001 0.000 2.435 459 c HA -0.103 4.468 4.570 0.001 0.000 0.279 459 c C 2.178 176.268 174.090 -0.000 0.000 1.321 459 c CA 0.978 57.307 56.329 -0.001 0.000 1.752 459 c CB -1.605 40.904 42.510 -0.002 0.000 1.959 459 c HN 0.600 nan 8.230 nan 0.000 0.500 460 N N -0.305 118.395 118.700 0.000 0.000 2.223 460 N HA -0.125 4.615 4.740 0.001 0.000 0.185 460 N C 1.224 176.735 175.510 0.002 0.000 1.016 460 N CA 1.447 54.497 53.050 -0.000 0.000 0.863 460 N CB -0.145 38.341 38.487 -0.001 0.000 0.983 460 N HN 0.469 nan 8.380 nan 0.000 0.429 461 C N -0.142 119.161 119.300 0.005 0.000 2.626 461 C HA 0.331 4.791 4.460 0.001 0.000 0.266 461 C C 1.553 176.546 174.990 0.005 0.000 1.317 461 C CA 0.110 59.132 59.018 0.007 0.000 1.716 461 C CB -1.157 26.588 27.740 0.010 0.000 1.819 461 C HN 0.657 nan 8.230 nan 0.000 0.578 462 G N 0.729 109.530 108.800 0.003 0.000 2.160 462 G HA2 0.046 4.006 3.960 0.001 0.000 0.244 462 G HA3 0.046 4.006 3.960 0.001 0.000 0.244 462 G C -0.107 174.793 174.900 0.001 0.000 1.022 462 G CA 0.264 45.364 45.100 0.002 0.000 0.741 462 G HN 0.979 nan 8.290 nan 0.000 0.508 463 A N -0.688 122.132 122.820 0.001 0.000 2.343 463 A HA 0.838 5.158 4.320 0.001 0.000 0.316 463 A C 0.807 178.390 177.584 -0.002 0.000 1.104 463 A CA -0.477 51.559 52.037 -0.000 0.000 0.768 463 A CB 1.187 20.188 19.000 0.001 0.000 1.213 463 A HN 0.598 nan 8.150 nan 0.000 0.456 464 L N 1.401 122.622 121.223 -0.004 0.000 2.616 464 L HA 0.183 4.524 4.340 0.001 0.000 0.229 464 L C 0.911 177.777 176.870 -0.006 0.000 1.110 464 L CA 0.958 55.794 54.840 -0.005 0.000 0.884 464 L CB 0.292 42.346 42.059 -0.007 0.000 1.115 464 L HN 0.934 nan 8.230 nan 0.000 0.481 465 T N -5.458 109.092 114.554 -0.006 0.000 2.841 465 T HA 0.397 4.747 4.350 0.001 0.000 0.296 465 T C 0.893 175.592 174.700 -0.002 0.000 1.166 465 T CA -0.665 61.431 62.100 -0.006 0.000 1.007 465 T CB 1.548 70.409 68.868 -0.011 0.000 1.253 465 T HN -0.125 nan 8.240 nan 0.000 0.511 466 I N 0.742 121.313 120.570 0.002 0.000 2.252 466 I HA 0.027 4.197 4.170 0.001 0.000 0.245 466 I C -0.883 175.237 176.117 0.005 0.000 1.102 466 I CA 0.599 61.904 61.300 0.008 0.000 1.385 466 I CB -0.944 37.070 38.000 0.023 0.000 1.064 466 I HN 0.508 nan 8.210 nan 0.000 0.414 467 P HA -0.202 nan 4.420 nan 0.000 0.217 467 P C 1.550 178.845 177.300 -0.008 0.000 1.150 467 P CA 1.307 64.400 63.100 -0.011 0.000 0.832 467 P CB -0.026 31.654 31.700 -0.034 0.000 0.787 468 Q N -0.553 119.242 119.800 -0.007 0.000 2.119 468 Q HA -0.167 4.173 4.340 0.001 0.000 0.201 468 Q C 1.982 177.982 176.000 -0.000 0.000 0.972 468 Q CA 1.047 56.848 55.803 -0.004 0.000 0.847 468 Q CB -0.652 28.084 28.738 -0.004 0.000 0.903 468 Q HN 0.091 nan 8.270 nan 0.000 0.433 469 L N 0.861 122.084 121.223 0.000 0.000 2.046 469 L HA -0.206 4.135 4.340 0.001 0.000 0.208 469 L C 2.063 178.933 176.870 0.001 0.000 1.077 469 L CA 1.879 56.720 54.840 0.001 0.000 0.747 469 L CB -0.366 41.693 42.059 -0.000 0.000 0.896 469 L HN 0.252 nan 8.230 nan 0.000 0.432 470 Q N -1.374 118.427 119.800 0.002 0.000 2.226 470 Q HA -0.176 4.164 4.340 0.001 0.000 0.204 470 Q C 2.349 178.352 176.000 0.005 0.000 0.975 470 Q CA 1.522 57.327 55.803 0.002 0.000 0.866 470 Q CB -0.193 28.550 28.738 0.009 0.000 0.915 470 Q HN 0.634 nan 8.270 nan 0.000 0.440 471 S N 0.378 116.081 115.700 0.006 0.000 2.404 471 S HA -0.022 4.448 4.470 0.001 0.000 0.223 471 S C 1.585 176.191 174.600 0.010 0.000 1.040 471 S CA 0.643 58.848 58.200 0.009 0.000 0.957 471 S CB 0.221 63.426 63.200 0.008 0.000 0.826 471 S HN 0.203 nan 8.310 nan 0.000 0.491 472 K N 1.083 121.487 120.400 0.008 0.000 2.356 472 K HA 0.374 4.695 4.320 0.001 0.000 0.195 472 K C 0.682 177.288 176.600 0.010 0.000 1.037 472 K CA 0.298 56.590 56.287 0.009 0.000 1.014 472 K CB 0.053 32.558 32.500 0.007 0.000 0.815 472 K HN 0.379 nan 8.250 nan 0.000 0.507 473 A N 2.523 125.348 122.820 0.008 0.000 2.565 473 A HA -0.042 4.278 4.320 0.001 0.000 0.237 473 A C -0.383 177.211 177.584 0.016 0.000 1.053 473 A CA 0.585 52.628 52.037 0.011 0.000 0.755 473 A CB 0.012 19.015 19.000 0.005 0.000 0.980 473 A HN 0.152 nan 8.150 nan 0.000 0.506 474 K N 2.496 122.909 120.400 0.022 0.000 2.367 474 K HA 0.518 4.838 4.320 0.001 0.000 0.263 474 K C -1.245 175.382 176.600 0.045 0.000 1.000 474 K CA 0.045 56.350 56.287 0.030 0.000 0.891 474 K CB 1.397 33.913 32.500 0.026 0.000 1.117 474 K HN 0.645 nan 8.250 nan 0.000 0.443 475 I N 1.968 122.572 120.570 0.055 0.000 2.362 475 I HA 0.182 4.353 4.170 0.001 0.000 0.289 475 I C 0.123 176.330 176.117 0.150 0.000 0.994 475 I CA -0.629 60.729 61.300 0.096 0.000 1.158 475 I CB 1.976 40.005 38.000 0.049 0.000 1.315 475 I HN 0.431 nan 8.210 nan 0.000 0.451 476 T N 6.400 121.056 114.554 0.170 0.000 2.888 476 T HA 0.551 4.901 4.350 0.001 0.000 0.284 476 T C -0.713 174.058 174.700 0.118 0.000 1.017 476 T CA -0.492 61.685 62.100 0.128 0.000 1.022 476 T CB 1.259 70.161 68.868 0.057 0.000 1.013 476 T HN 0.322 nan 8.240 nan 0.000 0.465 477 L N 5.343 126.540 121.223 -0.043 0.000 2.375 477 L HA 0.663 5.004 4.340 0.001 0.000 0.271 477 L C -0.645 176.092 176.870 -0.221 0.000 1.107 477 L CA -0.003 54.616 54.840 -0.368 0.000 0.806 477 L CB 1.213 42.998 42.059 -0.457 0.000 1.146 477 L HN 0.475 nan 8.230 nan 0.000 0.447 478 V N 2.832 122.599 119.914 -0.244 0.000 2.630 478 V HA 0.509 4.629 4.120 0.001 0.000 0.305 478 V C 0.024 176.048 176.094 -0.117 0.000 1.046 478 V CA -0.603 61.624 62.300 -0.122 0.000 0.934 478 V CB 1.829 33.614 31.823 -0.064 0.000 1.003 478 V HN 0.949 nan 8.190 nan 0.000 0.451 479 S N 1.852 117.511 115.700 -0.068 0.000 2.576 479 S HA 0.076 4.546 4.470 0.001 0.000 0.276 479 S C 1.341 175.923 174.600 -0.029 0.000 1.339 479 S CA 0.125 58.297 58.200 -0.047 0.000 1.039 479 S CB 1.102 64.285 63.200 -0.028 0.000 0.902 479 S HN 1.075 nan 8.310 nan 0.000 0.516 480 S N 2.170 117.861 115.700 -0.016 0.000 2.419 480 S HA -0.110 4.360 4.470 0.001 0.000 0.233 480 S C 1.594 176.197 174.600 0.006 0.000 1.016 480 S CA 0.947 59.149 58.200 0.002 0.000 0.974 480 S CB -0.955 62.252 63.200 0.012 0.000 0.786 480 S HN 0.636 nan 8.310 nan 0.000 0.492 481 V N 2.981 122.895 119.914 0.000 0.000 2.358 481 V HA -0.122 3.998 4.120 0.001 0.000 0.246 481 V C 2.958 179.053 176.094 0.001 0.000 1.047 481 V CA 1.817 64.118 62.300 0.002 0.000 1.035 481 V CB -1.229 30.594 31.823 -0.001 0.000 0.658 481 V HN 0.789 nan 8.190 nan 0.000 0.452 482 S N -0.880 114.818 115.700 -0.003 0.000 2.515 482 S HA 0.150 4.621 4.470 0.001 0.000 0.231 482 S C 0.813 175.415 174.600 0.004 0.000 0.987 482 S CA 0.320 58.517 58.200 -0.004 0.000 0.936 482 S CB -0.462 62.731 63.200 -0.012 0.000 0.766 482 S HN 0.487 nan 8.310 nan 0.000 0.528 483 I N 0.000 120.578 120.570 0.013 0.000 2.984 483 I HA 0.000 4.170 4.170 0.001 0.000 0.288 483 I CA 0.000 61.318 61.300 0.030 0.000 1.566 483 I CB 0.000 38.026 38.000 0.042 0.000 1.214 483 I HN 0.000 nan 8.210 nan 0.000 0.494