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 3fm8_1_D DATA FIRST_RESID 5 DATA SEQUENCE RRRAVLELLQ RPGNARCADC GAPDPDWASY TLGVFICLSC SGIHRNIPQV DATA SEQUENCE SKVKSVRLDA WEEAQVEFMA SHGNDAARAR FESKVPSFYY RPTPSDCQLL DATA SEQUENCE REQWIRAKYE RQEFIYPEKQ EPYSAGYREG FLWKRGRDNG QFLSRKFVLT DATA SEQUENCE EREGALKYFN RXXXXEPKAV MKIEHLNATF QPAKIGHPHG LQVTYLKDNS DATA SEQUENCE TRNIFIYHED GKEIVDWFNA LRAARFHYLQ VAFPGASDAD LVPKLSRNYL DATA SEQUENCE KEGYMEKTGP XXXXXFRKRW FTMDDRRLMY FKDPLDAFAR GEVFIGSKES DATA SEQUENCE GYTVLHGFPP STQGHHWPHG ITIVTPDRKF LFACETESDQ REWVAAFQKA DATA SEQUENCE VDRPMLPQEY AV 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 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.264 176.300 -0.060 0.000 0.893 5 R CA 0.000 56.097 56.100 -0.005 0.000 0.921 5 R CB 0.000 30.329 30.300 0.049 0.000 0.687 6 R N 1.304 121.780 120.500 -0.040 0.000 2.241 6 R HA 0.145 4.482 4.340 -0.005 0.000 0.224 6 R C 2.580 178.806 176.300 -0.123 0.000 1.101 6 R CA 2.660 58.704 56.100 -0.093 0.000 0.995 6 R CB -1.586 28.707 30.300 -0.011 0.000 0.870 6 R HN 1.092 nan 8.270 nan 0.000 0.463 7 R N -0.127 120.320 120.500 -0.089 0.000 2.062 7 R HA 0.397 4.734 4.340 -0.005 0.000 0.226 7 R C 2.756 178.992 176.300 -0.106 0.000 1.125 7 R CA 1.585 57.634 56.100 -0.085 0.000 0.966 7 R CB -1.214 29.053 30.300 -0.056 0.000 0.861 7 R HN 0.740 nan 8.270 nan 0.000 0.433 8 A N -0.064 122.694 122.820 -0.104 0.000 2.014 8 A HA 0.150 4.467 4.320 -0.005 0.000 0.218 8 A C 2.456 179.955 177.584 -0.142 0.000 1.163 8 A CA 1.411 53.389 52.037 -0.099 0.000 0.652 8 A CB -0.395 18.566 19.000 -0.066 0.000 0.808 8 A HN 0.407 nan 8.150 nan 0.000 0.449 9 V N -0.640 119.135 119.914 -0.233 0.000 2.407 9 V HA -0.090 4.027 4.120 -0.005 0.000 0.245 9 V C 2.204 178.127 176.094 -0.285 0.000 1.041 9 V CA 1.750 63.846 62.300 -0.341 0.000 1.040 9 V CB -0.133 31.213 31.823 -0.794 0.000 0.671 9 V HN 0.479 nan 8.190 nan 0.000 0.455 10 L N 0.464 121.534 121.223 -0.255 0.000 2.191 10 L HA -0.079 4.258 4.340 -0.005 0.000 0.212 10 L C 2.396 179.151 176.870 -0.192 0.000 1.103 10 L CA 2.023 56.737 54.840 -0.210 0.000 0.769 10 L CB -0.999 40.966 42.059 -0.156 0.000 0.908 10 L HN 0.406 nan 8.230 nan 0.000 0.438 11 E N -0.133 119.970 120.200 -0.162 0.000 2.051 11 E HA -0.214 4.133 4.350 -0.005 0.000 0.192 11 E C 2.225 178.729 176.600 -0.159 0.000 0.991 11 E CA 1.446 57.766 56.400 -0.133 0.000 0.799 11 E CB -0.233 29.409 29.700 -0.097 0.000 0.748 11 E HN 0.566 nan 8.360 nan 0.000 0.449 12 L N 0.733 121.852 121.223 -0.172 0.000 2.089 12 L HA -0.238 4.099 4.340 -0.005 0.000 0.213 12 L C 2.731 179.388 176.870 -0.356 0.000 1.079 12 L CA 0.887 55.623 54.840 -0.174 0.000 0.758 12 L CB -0.517 41.524 42.059 -0.029 0.000 0.891 12 L HN 0.178 nan 8.230 nan 0.000 0.433 13 L N -0.297 120.608 121.223 -0.531 0.000 2.129 13 L HA -0.308 4.030 4.340 -0.005 0.000 0.212 13 L C 3.233 179.929 176.870 -0.290 0.000 1.087 13 L CA 1.773 56.279 54.840 -0.558 0.000 0.757 13 L CB -1.007 40.790 42.059 -0.438 0.000 0.896 13 L HN 0.474 nan 8.230 nan 0.000 0.434 14 Q N 0.175 119.853 119.800 -0.203 0.000 2.230 14 Q HA -0.079 4.258 4.340 -0.005 0.000 0.202 14 Q C 1.617 177.559 176.000 -0.095 0.000 0.963 14 Q CA 0.847 56.575 55.803 -0.125 0.000 0.866 14 Q CB -0.675 28.005 28.738 -0.098 0.000 0.931 14 Q HN 0.440 nan 8.270 nan 0.000 0.452 15 R N 1.005 121.445 120.500 -0.099 0.000 2.861 15 R HA 0.266 4.604 4.340 -0.005 0.000 0.268 15 R C -2.354 173.926 176.300 -0.034 0.000 1.027 15 R CA -0.783 55.285 56.100 -0.053 0.000 1.163 15 R CB -0.596 29.685 30.300 -0.031 0.000 1.060 15 R HN 0.566 nan 8.270 nan 0.000 0.483 16 P HA 0.196 nan 4.420 nan 0.000 0.268 16 P C 0.914 178.229 177.300 0.026 0.000 1.204 16 P CA 1.132 64.234 63.100 0.003 0.000 0.768 16 P CB 0.619 32.322 31.700 0.005 0.000 0.842 17 G N 3.366 112.187 108.800 0.034 0.000 2.358 17 G HA2 -0.270 3.687 3.960 -0.005 0.000 0.224 17 G HA3 -0.270 3.687 3.960 -0.005 0.000 0.224 17 G C 0.928 175.882 174.900 0.090 0.000 1.073 17 G CA -0.120 45.020 45.100 0.067 0.000 0.635 17 G HN 0.502 nan 8.290 nan 0.000 0.509 18 N N 1.559 120.300 118.700 0.068 0.000 2.449 18 N HA 0.438 5.176 4.740 -0.005 0.000 0.191 18 N C 1.910 177.405 175.510 -0.025 0.000 1.161 18 N CA 1.179 54.261 53.050 0.054 0.000 0.863 18 N CB -0.022 38.399 38.487 -0.110 0.000 0.980 18 N HN 0.759 nan 8.380 nan 0.000 0.458 19 A N 0.233 123.053 122.820 -0.001 0.000 2.067 19 A HA 0.080 4.397 4.320 -0.005 0.000 0.217 19 A C 0.993 178.590 177.584 0.021 0.000 1.156 19 A CA 0.791 52.822 52.037 -0.010 0.000 0.683 19 A CB 0.209 19.205 19.000 -0.006 0.000 0.808 19 A HN 0.125 nan 8.150 nan 0.000 0.455 20 R N -2.041 118.493 120.500 0.056 0.000 2.744 20 R HA 0.377 4.714 4.340 -0.005 0.000 0.279 20 R C -0.871 175.501 176.300 0.121 0.000 0.977 20 R CA -0.718 55.427 56.100 0.075 0.000 0.906 20 R CB 1.524 31.862 30.300 0.063 0.000 1.197 20 R HN 0.256 nan 8.270 nan 0.000 0.463 21 C N 2.254 121.630 119.300 0.126 0.000 2.437 21 C HA 0.007 4.464 4.460 -0.005 0.000 0.399 21 C C 1.956 177.053 174.990 0.179 0.000 1.478 21 C CA 0.448 59.560 59.018 0.158 0.000 1.538 21 C CB -0.714 27.110 27.740 0.141 0.000 2.506 21 C HN 0.948 nan 8.230 nan 0.000 0.603 22 A N 3.814 126.759 122.820 0.208 0.000 2.070 22 A HA -0.077 4.241 4.320 -0.005 0.000 0.220 22 A C 1.819 179.574 177.584 0.285 0.000 1.159 22 A CA 2.095 54.275 52.037 0.237 0.000 0.656 22 A CB -0.218 18.930 19.000 0.248 0.000 0.800 22 A HN 0.952 nan 8.150 nan 0.000 0.453 23 D N -1.686 118.895 120.400 0.301 0.000 2.525 23 D HA 0.009 4.647 4.640 -0.005 0.000 0.248 23 D C 1.824 178.354 176.300 0.383 0.000 1.000 23 D CA 1.343 55.591 54.000 0.412 0.000 0.923 23 D CB -0.300 40.746 40.800 0.409 0.000 1.101 23 D HN 0.618 nan 8.370 nan 0.000 0.493 24 C N -0.910 118.524 119.300 0.225 0.000 3.230 24 C HA 0.672 5.129 4.460 -0.005 0.000 0.300 24 C C 1.707 176.734 174.990 0.061 0.000 1.292 24 C CA 0.506 59.593 59.018 0.115 0.000 1.707 24 C CB 0.240 28.040 27.740 0.101 0.000 2.181 24 C HN 0.385 nan 8.230 nan 0.000 0.655 25 G N 1.223 110.077 108.800 0.090 0.000 2.143 25 G HA2 0.127 4.084 3.960 -0.005 0.000 0.249 25 G HA3 0.127 4.084 3.960 -0.005 0.000 0.249 25 G C 0.258 175.189 174.900 0.052 0.000 0.981 25 G CA 0.336 45.474 45.100 0.062 0.000 0.665 25 G HN 1.578 nan 8.290 nan 0.000 0.528 26 A N 1.019 123.877 122.820 0.064 0.000 2.462 26 A HA 0.630 4.948 4.320 -0.005 0.000 0.243 26 A C -1.025 176.593 177.584 0.058 0.000 1.076 26 A CA -0.423 51.647 52.037 0.055 0.000 0.773 26 A CB 0.307 19.345 19.000 0.063 0.000 1.010 26 A HN 0.292 nan 8.150 nan 0.000 0.493 27 P HA 0.126 nan 4.420 nan 0.000 0.271 27 P C -0.935 176.390 177.300 0.042 0.000 1.216 27 P CA 0.193 63.314 63.100 0.035 0.000 0.776 27 P CB 0.353 32.066 31.700 0.022 0.000 0.881 28 D N -0.242 120.177 120.400 0.031 0.000 2.956 28 D HA -0.099 4.538 4.640 -0.005 0.000 0.240 28 D C -1.931 174.404 176.300 0.058 0.000 1.141 28 D CA 0.234 54.247 54.000 0.022 0.000 0.820 28 D CB -1.519 39.287 40.800 0.010 0.000 0.988 28 D HN 0.389 nan 8.370 nan 0.000 0.417 29 P HA 0.056 nan 4.420 nan 0.000 0.268 29 P C 0.304 177.699 177.300 0.159 0.000 1.204 29 P CA 0.201 63.400 63.100 0.165 0.000 0.768 29 P CB 0.689 32.520 31.700 0.219 0.000 0.842 30 D N 0.449 120.978 120.400 0.215 0.000 2.433 30 D HA 0.143 4.780 4.640 -0.005 0.000 0.211 30 D C -0.221 176.086 176.300 0.011 0.000 1.114 30 D CA 0.050 54.104 54.000 0.090 0.000 0.837 30 D CB -0.258 40.551 40.800 0.014 0.000 0.984 30 D HN 0.301 nan 8.370 nan 0.000 0.505 31 W N 0.851 122.256 121.300 0.176 0.000 2.736 31 W HA 0.781 5.438 4.660 -0.005 0.000 0.355 31 W C -0.554 176.094 176.519 0.215 0.000 1.102 31 W CA -1.097 56.355 57.345 0.178 0.000 1.164 31 W CB 1.712 31.217 29.460 0.075 0.000 1.422 31 W HN -0.094 nan 8.180 nan 0.000 0.572 32 A N 0.962 124.052 122.820 0.449 0.000 2.486 32 A HA 0.604 4.921 4.320 -0.005 0.000 0.300 32 A C -1.253 176.392 177.584 0.101 0.000 1.048 32 A CA -0.649 51.520 52.037 0.221 0.000 0.696 32 A CB 1.664 20.887 19.000 0.372 0.000 1.278 32 A HN 0.379 nan 8.150 nan 0.000 0.405 33 S N 1.066 116.699 115.700 -0.111 0.000 2.422 33 S HA 0.442 4.910 4.470 -0.005 0.000 0.298 33 S C 0.403 174.942 174.600 -0.101 0.000 1.118 33 S CA -0.381 57.700 58.200 -0.200 0.000 1.083 33 S CB -0.139 62.879 63.200 -0.303 0.000 0.971 33 S HN 1.033 nan 8.310 nan 0.000 0.478 34 Y N 2.793 123.051 120.300 -0.071 0.000 2.511 34 Y HA 0.188 4.735 4.550 -0.005 0.000 0.279 34 Y C 1.835 177.597 175.900 -0.230 0.000 1.157 34 Y CA 0.568 58.658 58.100 -0.018 0.000 1.300 34 Y CB -1.025 37.407 38.460 -0.047 0.000 1.052 34 Y HN 0.612 nan 8.280 nan 0.000 0.529 35 T N -2.230 112.019 114.554 -0.508 0.000 3.035 35 T HA 0.148 4.495 4.350 -0.005 0.000 0.259 35 T C 1.426 175.946 174.700 -0.300 0.000 1.078 35 T CA 0.697 62.480 62.100 -0.529 0.000 1.132 35 T CB -0.353 68.230 68.868 -0.475 0.000 0.900 35 T HN 0.443 nan 8.240 nan 0.000 0.480 36 L N 0.208 121.344 121.223 -0.144 0.000 2.575 36 L HA 0.448 4.785 4.340 -0.005 0.000 0.228 36 L C 1.697 178.654 176.870 0.146 0.000 1.075 36 L CA 0.347 55.165 54.840 -0.035 0.000 0.867 36 L CB 0.061 41.867 42.059 -0.421 0.000 1.097 36 L HN 0.531 nan 8.230 nan 0.000 0.485 37 G N 1.666 110.562 108.800 0.161 0.000 2.212 37 G HA2 -0.190 3.767 3.960 -0.005 0.000 0.255 37 G HA3 -0.190 3.767 3.960 -0.005 0.000 0.255 37 G C -0.105 174.749 174.900 -0.076 0.000 1.062 37 G CA 0.198 45.358 45.100 0.101 0.000 0.815 37 G HN 0.239 nan 8.290 nan 0.000 0.497 38 V N -3.104 116.700 119.914 -0.184 0.000 2.914 38 V HA 0.911 5.028 4.120 -0.005 0.000 0.314 38 V C -0.103 175.795 176.094 -0.327 0.000 1.084 38 V CA -2.094 60.103 62.300 -0.172 0.000 0.963 38 V CB 1.839 33.650 31.823 -0.020 0.000 1.025 38 V HN 0.319 nan 8.190 nan 0.000 0.432 39 F N 4.444 124.451 119.950 0.096 0.000 2.404 39 F HA 0.802 5.325 4.527 -0.006 0.000 0.354 39 F C 0.297 176.150 175.800 0.089 0.000 1.122 39 F CA -0.564 57.494 58.000 0.098 0.000 1.080 39 F CB 1.518 40.569 39.000 0.084 0.000 1.131 39 F HN 0.657 nan 8.300 nan 0.000 0.471 40 I N 0.603 121.319 120.570 0.242 0.000 2.969 40 I HA 0.691 4.858 4.170 -0.005 0.000 0.307 40 I C -0.145 176.101 176.117 0.215 0.000 1.149 40 I CA -1.161 60.231 61.300 0.153 0.000 1.008 40 I CB 1.602 39.572 38.000 -0.050 0.000 1.232 40 I HN 0.632 nan 8.210 nan 0.000 0.435 41 C N 2.595 121.991 119.300 0.160 0.000 2.560 41 C HA 0.397 4.854 4.460 -0.005 0.000 0.334 41 C C 1.747 176.775 174.990 0.063 0.000 1.404 41 C CA -0.455 58.664 59.018 0.169 0.000 2.410 41 C CB 0.764 28.573 27.740 0.116 0.000 2.268 41 C HN 0.970 nan 8.230 nan 0.000 0.673 42 L N 1.510 122.757 121.223 0.040 0.000 2.027 42 L HA 0.007 4.344 4.340 -0.005 0.000 0.206 42 L C 2.760 179.483 176.870 -0.245 0.000 1.074 42 L CA 2.523 57.218 54.840 -0.241 0.000 0.745 42 L CB -1.201 40.855 42.059 -0.006 0.000 0.898 42 L HN 0.977 nan 8.230 nan 0.000 0.433 43 S N -1.342 114.304 115.700 -0.089 0.000 2.359 43 S HA -0.260 4.207 4.470 -0.005 0.000 0.223 43 S C 2.114 176.683 174.600 -0.052 0.000 1.039 43 S CA 1.825 59.989 58.200 -0.061 0.000 1.042 43 S CB -0.758 62.438 63.200 -0.007 0.000 0.915 43 S HN 0.700 nan 8.310 nan 0.000 0.439 44 C N 1.715 121.009 119.300 -0.010 0.000 2.435 44 C HA 0.024 4.481 4.460 -0.005 0.000 0.279 44 C C 3.204 178.217 174.990 0.038 0.000 1.321 44 C CA 0.955 60.016 59.018 0.072 0.000 1.752 44 C CB -1.541 26.282 27.740 0.137 0.000 1.959 44 C HN 0.861 nan 8.230 nan 0.000 0.500 45 S N 1.316 116.915 115.700 -0.168 0.000 2.399 45 S HA -0.058 4.409 4.470 -0.005 0.000 0.231 45 S C 2.001 176.457 174.600 -0.240 0.000 1.022 45 S CA 1.639 59.660 58.200 -0.300 0.000 0.983 45 S CB -0.875 61.925 63.200 -0.666 0.000 0.803 45 S HN 0.584 nan 8.310 nan 0.000 0.480 46 G N 1.606 110.261 108.800 -0.242 0.000 2.432 46 G HA2 -0.024 3.933 3.960 -0.005 0.000 0.219 46 G HA3 -0.024 3.933 3.960 -0.005 0.000 0.219 46 G C 1.386 176.239 174.900 -0.078 0.000 1.135 46 G CA 0.896 45.893 45.100 -0.172 0.000 0.767 46 G HN 0.575 nan 8.290 nan 0.000 0.550 47 I N -0.459 120.098 120.570 -0.021 0.000 2.233 47 I HA -0.092 4.075 4.170 -0.005 0.000 0.243 47 I C 2.479 178.591 176.117 -0.008 0.000 1.093 47 I CA 0.760 62.060 61.300 0.000 0.000 1.380 47 I CB -0.346 37.675 38.000 0.035 0.000 1.067 47 I HN 0.177 nan 8.210 nan 0.000 0.413 48 H N 0.436 119.451 119.070 -0.091 0.000 2.426 48 H HA -0.216 4.337 4.556 -0.005 0.000 0.298 48 H C 2.301 177.550 175.328 -0.133 0.000 1.107 48 H CA 1.515 57.490 56.048 -0.121 0.000 1.298 48 H CB -0.079 29.589 29.762 -0.156 0.000 1.377 48 H HN 0.263 nan 8.280 nan 0.000 0.519 49 R N 0.941 121.437 120.500 -0.006 0.000 2.148 49 R HA -0.071 4.266 4.340 -0.005 0.000 0.227 49 R C 1.165 177.430 176.300 -0.059 0.000 1.103 49 R CA 1.042 57.108 56.100 -0.056 0.000 0.983 49 R CB 0.179 30.427 30.300 -0.087 0.000 0.874 49 R HN 0.240 nan 8.270 nan 0.000 0.451 50 N N 0.730 119.396 118.700 -0.057 0.000 2.336 50 N HA 0.036 4.773 4.740 -0.005 0.000 0.189 50 N C 0.170 175.642 175.510 -0.064 0.000 1.113 50 N CA 0.436 53.453 53.050 -0.055 0.000 0.858 50 N CB 0.668 39.127 38.487 -0.047 0.000 0.970 50 N HN 0.421 nan 8.380 nan 0.000 0.471 51 I N -1.894 118.626 120.570 -0.084 0.000 2.997 51 I HA 0.357 4.524 4.170 -0.005 0.000 0.329 51 I C -1.838 174.217 176.117 -0.104 0.000 1.367 51 I CA -1.743 59.499 61.300 -0.097 0.000 0.902 51 I CB 1.144 39.067 38.000 -0.128 0.000 2.104 51 I HN -0.316 nan 8.210 nan 0.000 0.581 52 P HA -0.222 nan 4.420 nan 0.000 0.216 52 P C 1.115 178.352 177.300 -0.105 0.000 1.150 52 P CA 1.560 64.603 63.100 -0.095 0.000 0.843 52 P CB 0.190 31.847 31.700 -0.071 0.000 0.787 53 Q N -0.736 119.012 119.800 -0.086 0.000 2.369 53 Q HA -0.002 4.335 4.340 -0.005 0.000 0.206 53 Q C 2.049 177.994 176.000 -0.092 0.000 0.963 53 Q CA 0.903 56.659 55.803 -0.078 0.000 0.894 53 Q CB -0.303 28.402 28.738 -0.055 0.000 0.965 53 Q HN 0.288 nan 8.270 nan 0.000 0.475 54 V N -1.279 118.567 119.914 -0.114 0.000 3.307 54 V HA 0.130 4.247 4.120 -0.005 0.000 0.244 54 V C 0.650 176.625 176.094 -0.198 0.000 1.196 54 V CA 0.312 62.535 62.300 -0.130 0.000 1.132 54 V CB 1.138 32.891 31.823 -0.118 0.000 0.875 54 V HN 0.029 nan 8.190 nan 0.000 0.468 55 S N 0.560 116.134 115.700 -0.209 0.000 2.619 55 S HA 0.530 4.997 4.470 -0.005 0.000 0.280 55 S C -1.195 173.249 174.600 -0.261 0.000 1.150 55 S CA -0.717 57.338 58.200 -0.241 0.000 0.978 55 S CB 1.115 64.233 63.200 -0.137 0.000 1.041 55 S HN 0.323 nan 8.310 nan 0.000 0.485 56 K N 3.041 123.172 120.400 -0.448 0.000 2.292 56 K HA 0.603 4.920 4.320 -0.005 0.000 0.257 56 K C -0.422 175.844 176.600 -0.557 0.000 0.940 56 K CA -0.882 55.095 56.287 -0.517 0.000 0.811 56 K CB 1.889 33.964 32.500 -0.708 0.000 1.120 56 K HN 0.512 nan 8.250 nan 0.000 0.428 57 V N -0.630 119.173 119.914 -0.185 0.000 2.850 57 V HA 0.666 4.783 4.120 -0.005 0.000 0.315 57 V C -0.617 175.609 176.094 0.221 0.000 1.064 57 V CA -0.721 61.588 62.300 0.015 0.000 0.979 57 V CB 1.586 33.417 31.823 0.014 0.000 1.039 57 V HN 0.760 nan 8.190 nan 0.000 0.452 58 K N 1.286 121.886 120.400 0.333 0.000 2.542 58 K HA 0.489 4.806 4.320 -0.005 0.000 0.259 58 K C -0.891 175.825 176.600 0.193 0.000 0.932 58 K CA -0.407 55.996 56.287 0.194 0.000 0.820 58 K CB 2.279 34.592 32.500 -0.311 0.000 1.345 58 K HN 0.931 nan 8.250 nan 0.000 0.432 59 S N 1.342 116.864 115.700 -0.296 0.000 2.533 59 S HA 0.071 4.538 4.470 -0.005 0.000 0.282 59 S C 1.181 175.782 174.600 0.001 0.000 1.304 59 S CA -0.495 57.259 58.200 -0.743 0.000 1.063 59 S CB 0.776 63.405 63.200 -0.951 0.000 0.881 59 S HN 0.401 nan 8.310 nan 0.000 0.493 60 V N 5.321 125.262 119.914 0.044 0.000 2.453 60 V HA -0.035 4.082 4.120 -0.005 0.000 0.247 60 V C 2.840 178.964 176.094 0.051 0.000 1.048 60 V CA 2.272 64.689 62.300 0.195 0.000 1.049 60 V CB -0.982 30.891 31.823 0.082 0.000 0.672 60 V HN 0.898 nan 8.190 nan 0.000 0.457 61 R N -0.871 119.589 120.500 -0.067 0.000 2.362 61 R HA 0.509 4.846 4.340 -0.005 0.000 0.227 61 R C 1.283 177.545 176.300 -0.064 0.000 0.905 61 R CA 0.380 56.437 56.100 -0.072 0.000 1.067 61 R CB -0.355 29.888 30.300 -0.094 0.000 1.078 61 R HN 0.555 nan 8.270 nan 0.000 0.516 62 L N -0.289 120.884 121.223 -0.084 0.000 3.410 62 L HA 0.364 4.701 4.340 -0.005 0.000 0.309 62 L C -1.284 175.557 176.870 -0.047 0.000 1.254 62 L CA -0.206 54.588 54.840 -0.076 0.000 1.048 62 L CB 1.093 43.080 42.059 -0.121 0.000 1.442 62 L HN 0.173 nan 8.230 nan 0.000 0.615 63 D N 0.368 120.774 120.400 0.010 0.000 2.552 63 D HA 0.573 5.210 4.640 -0.005 0.000 0.239 63 D C -0.604 175.748 176.300 0.086 0.000 1.139 63 D CA -0.284 53.712 54.000 -0.006 0.000 0.914 63 D CB 2.483 43.216 40.800 -0.112 0.000 1.461 63 D HN -0.061 nan 8.370 nan 0.000 0.462 64 A N 0.817 123.629 122.820 -0.013 0.000 2.289 64 A HA 0.553 4.870 4.320 -0.005 0.000 0.298 64 A C -1.099 176.454 177.584 -0.053 0.000 1.208 64 A CA -0.464 51.599 52.037 0.044 0.000 0.845 64 A CB 0.226 19.226 19.000 -0.001 0.000 1.125 64 A HN 0.397 nan 8.150 nan 0.000 0.517 65 W N 0.675 121.927 121.300 -0.079 0.000 2.485 65 W HA 0.602 5.259 4.660 -0.004 0.000 0.364 65 W C 0.221 176.687 176.519 -0.089 0.000 1.171 65 W CA -0.272 57.011 57.345 -0.103 0.000 1.304 65 W CB 1.069 30.488 29.460 -0.069 0.000 1.335 65 W HN 0.657 nan 8.180 nan 0.000 0.643 66 E N 0.037 120.320 120.200 0.139 0.000 2.256 66 E HA 0.372 4.719 4.350 -0.005 0.000 0.267 66 E C 1.055 177.724 176.600 0.114 0.000 0.892 66 E CA -0.205 56.236 56.400 0.068 0.000 0.775 66 E CB 1.636 31.321 29.700 -0.025 0.000 1.207 66 E HN 0.480 nan 8.360 nan 0.000 0.420 67 E N 1.753 122.002 120.200 0.082 0.000 2.114 67 E HA -0.295 4.052 4.350 -0.005 0.000 0.199 67 E C 1.835 178.499 176.600 0.106 0.000 1.008 67 E CA 2.224 58.675 56.400 0.084 0.000 0.810 67 E CB -0.792 28.942 29.700 0.057 0.000 0.739 67 E HN 0.570 nan 8.360 nan 0.000 0.456 68 A N 0.231 123.106 122.820 0.092 0.000 1.902 68 A HA -0.222 4.095 4.320 -0.005 0.000 0.217 68 A C 2.381 180.067 177.584 0.170 0.000 1.181 68 A CA 1.851 53.954 52.037 0.110 0.000 0.623 68 A CB -0.319 18.721 19.000 0.066 0.000 0.818 68 A HN 0.603 nan 8.150 nan 0.000 0.443 69 Q N -0.454 119.436 119.800 0.149 0.000 2.046 69 Q HA -0.099 4.238 4.340 -0.005 0.000 0.200 69 Q C 2.050 178.300 176.000 0.416 0.000 0.975 69 Q CA 1.709 57.654 55.803 0.235 0.000 0.836 69 Q CB -0.340 28.426 28.738 0.046 0.000 0.896 69 Q HN 0.498 nan 8.270 nan 0.000 0.428 70 V N 0.943 121.060 119.914 0.340 0.000 2.667 70 V HA -0.188 3.929 4.120 -0.005 0.000 0.252 70 V C 2.338 178.533 176.094 0.168 0.000 1.065 70 V CA 2.091 64.510 62.300 0.198 0.000 1.083 70 V CB -1.110 30.758 31.823 0.074 0.000 0.692 70 V HN 0.518 nan 8.190 nan 0.000 0.468 71 E N -0.525 119.790 120.200 0.191 0.000 2.230 71 E HA -0.131 4.216 4.350 -0.005 0.000 0.192 71 E C 1.845 178.584 176.600 0.232 0.000 0.987 71 E CA 0.833 57.333 56.400 0.166 0.000 0.841 71 E CB -0.515 29.267 29.700 0.138 0.000 0.783 71 E HN 0.634 nan 8.360 nan 0.000 0.481 72 F N 0.539 120.594 119.950 0.176 0.000 2.128 72 F HA -0.068 4.458 4.527 -0.001 0.000 0.295 72 F C 2.281 178.256 175.800 0.291 0.000 1.100 72 F CA 1.671 59.814 58.000 0.238 0.000 1.260 72 F CB 0.048 39.134 39.000 0.143 0.000 1.009 72 F HN 0.061 nan 8.300 nan 0.000 0.476 73 M N 0.458 120.264 119.600 0.343 0.000 2.108 73 M HA -0.174 4.303 4.480 -0.005 0.000 0.261 73 M C 2.492 178.880 176.300 0.146 0.000 1.066 73 M CA 1.701 57.118 55.300 0.195 0.000 1.107 73 M CB -2.102 30.595 32.600 0.161 0.000 1.356 73 M HN 0.309 nan 8.290 nan 0.000 0.406 74 A N 0.198 123.092 122.820 0.124 0.000 1.930 74 A HA -0.083 4.235 4.320 -0.005 0.000 0.217 74 A C 2.271 179.859 177.584 0.006 0.000 1.175 74 A CA 1.925 54.004 52.037 0.070 0.000 0.627 74 A CB -0.801 18.229 19.000 0.049 0.000 0.815 74 A HN 0.608 nan 8.150 nan 0.000 0.443 75 S N -1.293 114.385 115.700 -0.037 0.000 2.561 75 S HA 0.091 4.558 4.470 -0.005 0.000 0.225 75 S C 0.967 175.270 174.600 -0.494 0.000 0.977 75 S CA 0.878 58.940 58.200 -0.229 0.000 0.926 75 S CB -0.347 62.696 63.200 -0.262 0.000 0.769 75 S HN 0.731 nan 8.310 nan 0.000 0.533 76 H N 0.862 119.822 119.070 -0.184 0.000 5.246 76 H HA 0.669 5.224 4.556 -0.001 0.000 0.117 76 H C 1.149 176.461 175.328 -0.027 0.000 1.327 76 H CA 0.334 56.278 56.048 -0.173 0.000 0.393 76 H CB -0.342 29.202 29.762 -0.364 0.000 1.660 76 H HN 0.462 nan 8.280 nan 0.000 0.203 77 G N -0.175 108.726 108.800 0.168 0.000 2.685 77 G HA2 -0.265 3.693 3.960 -0.005 0.000 0.387 77 G HA3 -0.265 3.693 3.960 -0.005 0.000 0.387 77 G C 0.022 175.039 174.900 0.195 0.000 1.324 77 G CA 0.069 45.290 45.100 0.201 0.000 0.878 77 G HN 0.452 nan 8.290 nan 0.000 0.527 78 N N 0.218 119.057 118.700 0.232 0.000 2.216 78 N HA 0.001 4.738 4.740 -0.005 0.000 0.183 78 N C 1.678 177.292 175.510 0.174 0.000 1.017 78 N CA 1.650 54.828 53.050 0.214 0.000 0.861 78 N CB -0.212 38.411 38.487 0.226 0.000 0.986 78 N HN 0.541 nan 8.380 nan 0.000 0.428 79 D N 0.664 121.145 120.400 0.134 0.000 2.144 79 D HA -0.008 4.629 4.640 -0.005 0.000 0.200 79 D C 1.797 178.149 176.300 0.087 0.000 0.978 79 D CA 0.971 55.028 54.000 0.095 0.000 0.833 79 D CB -0.350 40.487 40.800 0.063 0.000 0.961 79 D HN 0.210 nan 8.370 nan 0.000 0.470 80 A N 1.053 123.927 122.820 0.089 0.000 1.908 80 A HA -0.071 4.246 4.320 -0.005 0.000 0.218 80 A C 2.288 179.949 177.584 0.127 0.000 1.181 80 A CA 2.212 54.292 52.037 0.070 0.000 0.627 80 A CB -0.630 18.396 19.000 0.044 0.000 0.818 80 A HN 0.244 nan 8.150 nan 0.000 0.445 81 A N -0.715 122.243 122.820 0.229 0.000 1.968 81 A HA -0.068 4.249 4.320 -0.005 0.000 0.217 81 A C 2.226 180.021 177.584 0.352 0.000 1.169 81 A CA 1.414 53.703 52.037 0.421 0.000 0.638 81 A CB -0.429 18.859 19.000 0.479 0.000 0.812 81 A HN 0.538 nan 8.150 nan 0.000 0.446 82 R N -0.286 120.339 120.500 0.210 0.000 2.075 82 R HA -0.063 4.274 4.340 -0.005 0.000 0.232 82 R C 2.204 178.544 176.300 0.068 0.000 1.126 82 R CA 1.311 57.493 56.100 0.137 0.000 0.963 82 R CB -0.322 30.041 30.300 0.107 0.000 0.858 82 R HN 0.423 nan 8.270 nan 0.000 0.435 83 A N 0.722 123.567 122.820 0.040 0.000 2.015 83 A HA -0.141 4.176 4.320 -0.005 0.000 0.219 83 A C 2.115 179.660 177.584 -0.065 0.000 1.163 83 A CA 1.193 53.223 52.037 -0.012 0.000 0.646 83 A CB -0.352 18.637 19.000 -0.018 0.000 0.806 83 A HN 0.365 nan 8.150 nan 0.000 0.448 84 R N -1.541 118.899 120.500 -0.100 0.000 2.048 84 R HA 0.086 4.424 4.340 -0.005 0.000 0.224 84 R C 1.431 177.506 176.300 -0.374 0.000 1.163 84 R CA 1.392 57.299 56.100 -0.321 0.000 0.956 84 R CB -0.334 29.634 30.300 -0.555 0.000 0.849 84 R HN 0.411 nan 8.270 nan 0.000 0.435 85 F N 0.641 120.590 119.950 -0.001 0.000 2.780 85 F HA 0.175 4.701 4.527 -0.002 0.000 0.299 85 F C 0.778 176.541 175.800 -0.061 0.000 1.146 85 F CA 0.462 58.429 58.000 -0.055 0.000 1.428 85 F CB 0.468 39.410 39.000 -0.097 0.000 1.115 85 F HN 0.108 nan 8.300 nan 0.000 0.583 86 E N -0.735 119.510 120.200 0.076 0.000 2.887 86 E HA 0.055 4.402 4.350 -0.005 0.000 0.206 86 E C 1.412 177.988 176.600 -0.038 0.000 0.983 86 E CA 0.223 56.614 56.400 -0.015 0.000 1.141 86 E CB 0.304 29.998 29.700 -0.011 0.000 1.061 86 E HN 0.214 nan 8.360 nan 0.000 0.468 87 S N 0.711 116.396 115.700 -0.024 0.000 2.489 87 S HA 0.012 4.479 4.470 -0.005 0.000 0.228 87 S C 1.098 175.680 174.600 -0.031 0.000 0.995 87 S CA 0.372 58.549 58.200 -0.038 0.000 0.934 87 S CB -0.005 63.160 63.200 -0.058 0.000 0.771 87 S HN 0.057 nan 8.310 nan 0.000 0.522 88 K N 1.487 121.885 120.400 -0.004 0.000 3.278 88 K HA 0.346 4.663 4.320 -0.005 0.000 0.200 88 K C -1.401 175.213 176.600 0.024 0.000 1.107 88 K CA -0.236 56.064 56.287 0.022 0.000 0.923 88 K CB 1.651 34.185 32.500 0.055 0.000 0.787 88 K HN 0.123 nan 8.250 nan 0.000 0.481 89 V N 3.560 123.356 119.914 -0.196 0.000 2.408 89 V HA 0.145 4.262 4.120 -0.005 0.000 0.267 89 V C -1.784 174.123 176.094 -0.312 0.000 1.047 89 V CA -1.704 60.285 62.300 -0.517 0.000 0.937 89 V CB -0.000 31.387 31.823 -0.727 0.000 0.999 89 V HN 0.297 nan 8.190 nan 0.000 0.472 90 P HA 0.046 nan 4.420 nan 0.000 0.265 90 P C 1.026 178.009 177.300 -0.528 0.000 1.187 90 P CA 0.137 62.993 63.100 -0.406 0.000 0.766 90 P CB 0.667 31.924 31.700 -0.738 0.000 0.820 91 S N 2.339 117.804 115.700 -0.391 0.000 2.399 91 S HA -0.213 4.255 4.470 -0.005 0.000 0.231 91 S C 1.569 175.891 174.600 -0.464 0.000 1.022 91 S CA 1.067 59.053 58.200 -0.356 0.000 0.983 91 S CB -1.346 61.702 63.200 -0.254 0.000 0.803 91 S HN 0.549 nan 8.310 nan 0.000 0.480 92 F N 0.156 119.864 119.950 -0.403 0.000 2.604 92 F HA 0.363 4.888 4.527 -0.003 0.000 0.298 92 F C 0.798 176.465 175.800 -0.222 0.000 1.131 92 F CA -1.327 56.422 58.000 -0.418 0.000 1.457 92 F CB -1.121 37.666 39.000 -0.355 0.000 1.095 92 F HN 0.128 nan 8.300 nan 0.000 0.574 93 Y N 1.542 121.529 120.300 -0.522 0.000 2.436 93 Y HA 0.138 4.686 4.550 -0.004 0.000 0.336 93 Y C 0.111 175.876 175.900 -0.225 0.000 1.049 93 Y CA -1.419 56.483 58.100 -0.329 0.000 1.294 93 Y CB -0.055 38.157 38.460 -0.413 0.000 1.179 93 Y HN 0.137 nan 8.280 nan 0.000 0.520 94 Y N 6.795 126.850 120.300 -0.407 0.000 2.650 94 Y HA 0.173 4.721 4.550 -0.004 0.000 0.331 94 Y C -0.295 175.456 175.900 -0.248 0.000 1.165 94 Y CA -0.191 57.764 58.100 -0.242 0.000 1.473 94 Y CB 0.152 38.568 38.460 -0.073 0.000 1.224 94 Y HN 0.547 nan 8.280 nan 0.000 0.533 95 R N 8.058 127.984 120.500 -0.958 0.000 2.255 95 R HA 0.363 4.700 4.340 -0.005 0.000 0.326 95 R C -2.429 173.175 176.300 -1.160 0.000 0.986 95 R CA -1.838 53.559 56.100 -1.172 0.000 0.847 95 R CB 0.743 30.477 30.300 -0.942 0.000 1.111 95 R HN 0.492 nan 8.270 nan 0.000 0.452 96 P HA 0.131 nan 4.420 nan 0.000 0.278 96 P C -0.549 176.589 177.300 -0.270 0.000 1.258 96 P CA -0.477 62.401 63.100 -0.371 0.000 0.811 96 P CB 1.325 32.989 31.700 -0.059 0.000 1.063 97 T N -3.135 111.357 114.554 -0.103 0.000 2.938 97 T HA 0.466 4.813 4.350 -0.005 0.000 0.285 97 T C -2.068 172.631 174.700 -0.002 0.000 1.028 97 T CA -2.169 59.897 62.100 -0.058 0.000 1.005 97 T CB 0.846 69.690 68.868 -0.041 0.000 1.157 97 T HN 0.052 nan 8.240 nan 0.000 0.550 98 P HA -0.042 nan 4.420 nan 0.000 0.219 98 P C 1.472 178.781 177.300 0.015 0.000 1.146 98 P CA 1.004 64.116 63.100 0.020 0.000 0.808 98 P CB -0.109 31.603 31.700 0.020 0.000 0.779 99 S N -2.694 113.013 115.700 0.011 0.000 2.603 99 S HA 0.024 4.491 4.470 -0.005 0.000 0.220 99 S C 0.761 175.369 174.600 0.013 0.000 0.967 99 S CA -0.057 58.147 58.200 0.007 0.000 0.920 99 S CB -0.723 62.477 63.200 0.001 0.000 0.773 99 S HN 0.030 nan 8.310 nan 0.000 0.529 100 D N 2.298 122.714 120.400 0.027 0.000 2.360 100 D HA 0.232 4.869 4.640 -0.005 0.000 0.242 100 D C 0.936 177.234 176.300 -0.003 0.000 1.184 100 D CA -0.309 53.709 54.000 0.029 0.000 0.930 100 D CB 0.979 41.828 40.800 0.082 0.000 1.161 100 D HN 0.508 nan 8.370 nan 0.000 0.447 101 C N 0.422 119.700 119.300 -0.036 0.000 2.700 101 C HA 0.100 4.557 4.460 -0.005 0.000 0.397 101 C C 1.908 176.859 174.990 -0.065 0.000 1.301 101 C CA -0.695 58.288 59.018 -0.058 0.000 2.219 101 C CB 0.761 28.447 27.740 -0.089 0.000 2.699 101 C HN 0.585 nan 8.230 nan 0.000 0.669 102 Q N 0.372 120.140 119.800 -0.052 0.000 2.135 102 Q HA -0.186 4.151 4.340 -0.005 0.000 0.204 102 Q C 1.837 177.809 176.000 -0.046 0.000 0.981 102 Q CA 2.052 57.834 55.803 -0.034 0.000 0.856 102 Q CB -0.325 28.395 28.738 -0.030 0.000 0.902 102 Q HN 0.926 nan 8.270 nan 0.000 0.425 103 L N 0.568 121.732 121.223 -0.098 0.000 2.012 103 L HA -0.187 4.150 4.340 -0.005 0.000 0.210 103 L C 2.287 179.066 176.870 -0.152 0.000 1.073 103 L CA 1.655 56.410 54.840 -0.142 0.000 0.748 103 L CB -0.681 41.223 42.059 -0.259 0.000 0.891 103 L HN 0.242 nan 8.230 nan 0.000 0.431 104 L N -1.045 120.056 121.223 -0.203 0.000 2.093 104 L HA -0.161 4.176 4.340 -0.005 0.000 0.208 104 L C 2.784 179.713 176.870 0.099 0.000 1.085 104 L CA 1.190 55.978 54.840 -0.086 0.000 0.755 104 L CB -0.370 41.636 42.059 -0.089 0.000 0.904 104 L HN 0.261 nan 8.230 nan 0.000 0.435 105 R N -0.328 120.219 120.500 0.078 0.000 2.073 105 R HA -0.175 4.162 4.340 -0.005 0.000 0.229 105 R C 2.155 178.556 176.300 0.169 0.000 1.120 105 R CA 1.335 57.527 56.100 0.154 0.000 0.967 105 R CB -0.177 30.184 30.300 0.101 0.000 0.862 105 R HN 0.370 nan 8.270 nan 0.000 0.436 106 E N 0.688 120.941 120.200 0.088 0.000 2.047 106 E HA -0.194 4.154 4.350 -0.005 0.000 0.191 106 E C 1.943 178.586 176.600 0.071 0.000 0.987 106 E CA 1.007 57.443 56.400 0.058 0.000 0.799 106 E CB 0.213 29.924 29.700 0.019 0.000 0.752 106 E HN 0.153 nan 8.360 nan 0.000 0.449 107 Q N -0.105 119.752 119.800 0.095 0.000 2.224 107 Q HA -0.166 4.171 4.340 -0.005 0.000 0.203 107 Q C 1.785 177.919 176.000 0.223 0.000 0.970 107 Q CA 1.067 56.943 55.803 0.122 0.000 0.865 107 Q CB -0.451 28.352 28.738 0.108 0.000 0.922 107 Q HN 0.584 nan 8.270 nan 0.000 0.445 108 W N 0.859 122.213 121.300 0.089 0.000 2.355 108 W HA -0.170 4.487 4.660 -0.006 0.000 0.309 108 W C 1.561 178.089 176.519 0.014 0.000 1.206 108 W CA 0.861 58.277 57.345 0.118 0.000 1.284 108 W CB -0.163 29.365 29.460 0.114 0.000 1.145 108 W HN 0.068 nan 8.180 nan 0.000 0.502 109 I N 0.794 121.316 120.570 -0.080 0.000 2.252 109 I HA -0.302 3.866 4.170 -0.005 0.000 0.245 109 I C 2.718 178.684 176.117 -0.251 0.000 1.102 109 I CA 1.332 62.488 61.300 -0.240 0.000 1.385 109 I CB -0.538 37.424 38.000 -0.064 0.000 1.064 109 I HN -0.086 nan 8.210 nan 0.000 0.414 110 R N 0.688 121.108 120.500 -0.134 0.000 2.073 110 R HA -0.116 4.221 4.340 -0.005 0.000 0.234 110 R C 2.485 178.687 176.300 -0.164 0.000 1.134 110 R CA 1.470 57.502 56.100 -0.113 0.000 0.952 110 R CB -0.529 29.740 30.300 -0.052 0.000 0.850 110 R HN 0.344 nan 8.270 nan 0.000 0.433 111 A N 1.538 124.254 122.820 -0.174 0.000 1.908 111 A HA -0.214 4.103 4.320 -0.005 0.000 0.218 111 A C 1.938 179.231 177.584 -0.484 0.000 1.181 111 A CA 1.476 53.342 52.037 -0.285 0.000 0.627 111 A CB -0.266 18.641 19.000 -0.155 0.000 0.818 111 A HN 0.202 nan 8.150 nan 0.000 0.445 112 K N -1.796 118.267 120.400 -0.563 0.000 1.991 112 K HA -0.064 4.254 4.320 -0.005 0.000 0.207 112 K C 1.835 178.158 176.600 -0.462 0.000 1.045 112 K CA 1.843 57.737 56.287 -0.655 0.000 0.937 112 K CB -0.262 31.460 32.500 -1.296 0.000 0.720 112 K HN 0.709 nan 8.250 nan 0.000 0.438 113 Y N -0.120 119.981 120.300 -0.332 0.000 2.479 113 Y HA 0.076 4.622 4.550 -0.006 0.000 0.283 113 Y C 2.366 178.160 175.900 -0.176 0.000 1.109 113 Y CA 0.056 57.931 58.100 -0.375 0.000 1.239 113 Y CB 0.356 38.493 38.460 -0.538 0.000 1.108 113 Y HN 0.143 nan 8.280 nan 0.000 0.548 114 E N 0.918 121.105 120.200 -0.023 0.000 2.065 114 E HA -0.045 4.303 4.350 -0.005 0.000 0.191 114 E C 1.962 178.555 176.600 -0.011 0.000 0.960 114 E CA 0.345 56.732 56.400 -0.022 0.000 0.824 114 E CB 0.158 29.827 29.700 -0.052 0.000 0.793 114 E HN 0.307 nan 8.360 nan 0.000 0.459 115 R N 0.096 120.564 120.500 -0.053 0.000 2.161 115 R HA 0.056 4.394 4.340 -0.005 0.000 0.213 115 R C 0.281 176.570 176.300 -0.017 0.000 1.055 115 R CA 0.636 56.710 56.100 -0.044 0.000 0.996 115 R CB 0.045 30.297 30.300 -0.079 0.000 0.901 115 R HN 0.263 nan 8.270 nan 0.000 0.456 116 Q N 0.123 119.885 119.800 -0.063 0.000 2.460 116 Q HA -0.221 4.116 4.340 -0.005 0.000 0.311 116 Q C -0.096 175.817 176.000 -0.145 0.000 1.396 116 Q CA 0.543 56.325 55.803 -0.035 0.000 0.838 116 Q CB -1.308 27.522 28.738 0.153 0.000 1.140 116 Q HN 0.522 nan 8.270 nan 0.000 0.415 117 E N -0.519 119.420 120.200 -0.435 0.000 2.338 117 E HA -0.115 4.232 4.350 -0.005 0.000 0.197 117 E C 0.632 176.910 176.600 -0.536 0.000 1.007 117 E CA 0.904 56.973 56.400 -0.553 0.000 0.849 117 E CB 0.027 29.202 29.700 -0.875 0.000 0.774 117 E HN 0.551 nan 8.360 nan 0.000 0.506 118 F N -0.668 119.217 119.950 -0.109 0.000 2.639 118 F HA 0.282 4.806 4.527 -0.005 0.000 0.302 118 F C 1.521 177.218 175.800 -0.172 0.000 1.097 118 F CA -0.264 57.654 58.000 -0.136 0.000 1.294 118 F CB 0.463 39.354 39.000 -0.181 0.000 1.027 118 F HN -0.051 nan 8.300 nan 0.000 0.550 119 I N -1.575 118.893 120.570 -0.170 0.000 3.443 119 I HA 0.022 4.190 4.170 -0.005 0.000 0.277 119 I C -0.318 175.479 176.117 -0.534 0.000 1.169 119 I CA 0.320 61.354 61.300 -0.444 0.000 1.419 119 I CB 0.398 37.957 38.000 -0.735 0.000 1.331 119 I HN -0.102 nan 8.210 nan 0.000 0.458 120 Y N 2.362 122.644 120.300 -0.029 0.000 2.478 120 Y HA 0.303 4.851 4.550 -0.003 0.000 0.329 120 Y C -1.835 174.050 175.900 -0.025 0.000 0.967 120 Y CA -2.209 55.875 58.100 -0.026 0.000 1.255 120 Y CB 0.445 38.884 38.460 -0.036 0.000 1.103 120 Y HN -0.034 nan 8.280 nan 0.000 0.497 121 P HA -0.069 nan 4.420 nan 0.000 0.229 121 P C 0.632 177.967 177.300 0.058 0.000 1.160 121 P CA 0.911 64.058 63.100 0.080 0.000 0.777 121 P CB 0.487 32.234 31.700 0.078 0.000 0.814 122 E N 0.988 121.225 120.200 0.062 0.000 2.147 122 E HA -0.203 4.144 4.350 -0.005 0.000 0.199 122 E C 1.628 178.222 176.600 -0.011 0.000 1.005 122 E CA 1.434 57.849 56.400 0.024 0.000 0.810 122 E CB -0.779 28.933 29.700 0.019 0.000 0.736 122 E HN 0.363 nan 8.360 nan 0.000 0.460 123 K N 0.321 120.719 120.400 -0.002 0.000 2.504 123 K HA -0.066 4.251 4.320 -0.005 0.000 0.195 123 K C 1.593 178.126 176.600 -0.111 0.000 1.036 123 K CA 0.584 56.845 56.287 -0.043 0.000 0.984 123 K CB 0.069 32.554 32.500 -0.026 0.000 0.788 123 K HN 0.223 nan 8.250 nan 0.000 0.488 124 Q N 0.393 120.119 119.800 -0.124 0.000 2.424 124 Q HA -0.039 4.299 4.340 -0.005 0.000 0.204 124 Q C 1.584 177.252 176.000 -0.553 0.000 0.933 124 Q CA 0.059 55.663 55.803 -0.332 0.000 0.929 124 Q CB 0.302 29.060 28.738 0.034 0.000 1.037 124 Q HN 0.223 nan 8.270 nan 0.000 0.511 125 E N 1.482 121.524 120.200 -0.262 0.000 2.136 125 E HA -0.223 4.124 4.350 -0.005 0.000 0.208 125 E C -0.855 175.608 176.600 -0.230 0.000 1.035 125 E CA 1.764 58.058 56.400 -0.178 0.000 0.838 125 E CB -0.683 28.960 29.700 -0.095 0.000 0.748 125 E HN 0.318 nan 8.360 nan 0.000 0.459 126 P HA -0.137 nan 4.420 nan 0.000 0.220 126 P C 0.885 178.123 177.300 -0.103 0.000 1.148 126 P CA 1.360 64.356 63.100 -0.173 0.000 0.803 126 P CB -0.452 31.184 31.700 -0.107 0.000 0.782 127 Y N -3.288 117.071 120.300 0.097 0.000 2.584 127 Y HA 0.552 5.099 4.550 -0.005 0.000 0.254 127 Y C 1.232 177.227 175.900 0.159 0.000 1.177 127 Y CA -0.448 57.720 58.100 0.113 0.000 1.216 127 Y CB -0.657 37.939 38.460 0.227 0.000 1.172 127 Y HN -0.241 nan 8.280 nan 0.000 0.529 128 S N -0.258 115.524 115.700 0.138 0.000 2.666 128 S HA 0.448 4.915 4.470 -0.005 0.000 0.239 128 S C 1.527 176.211 174.600 0.140 0.000 1.031 128 S CA 0.265 58.605 58.200 0.234 0.000 1.015 128 S CB 0.571 63.909 63.200 0.230 0.000 0.981 128 S HN 0.538 nan 8.310 nan 0.000 0.547 129 A N 0.798 123.669 122.820 0.085 0.000 2.267 129 A HA 0.587 4.904 4.320 -0.005 0.000 0.213 129 A C 1.731 179.371 177.584 0.094 0.000 1.192 129 A CA 0.650 52.731 52.037 0.074 0.000 0.851 129 A CB -0.525 18.513 19.000 0.063 0.000 0.881 129 A HN 0.873 nan 8.150 nan 0.000 0.494 130 G N -2.317 106.547 108.800 0.107 0.000 2.179 130 G HA2 -0.316 3.641 3.960 -0.005 0.000 0.260 130 G HA3 -0.316 3.641 3.960 -0.005 0.000 0.260 130 G C -0.009 174.989 174.900 0.164 0.000 0.977 130 G CA 0.732 45.904 45.100 0.120 0.000 0.641 130 G HN 1.109 nan 8.290 nan 0.000 0.533 131 Y N -0.147 120.158 120.300 0.008 0.000 2.470 131 Y HA 0.730 5.277 4.550 -0.005 0.000 0.341 131 Y C -0.359 175.513 175.900 -0.046 0.000 1.021 131 Y CA -1.233 56.869 58.100 0.003 0.000 1.025 131 Y CB 1.608 40.072 38.460 0.006 0.000 1.266 131 Y HN 0.306 nan 8.280 nan 0.000 0.448 132 R N 4.595 124.727 120.500 -0.614 0.000 2.566 132 R HA 0.414 4.751 4.340 -0.005 0.000 0.271 132 R C -1.937 174.022 176.300 -0.568 0.000 1.071 132 R CA -0.555 55.209 56.100 -0.560 0.000 0.915 132 R CB 1.694 31.563 30.300 -0.717 0.000 1.228 132 R HN 0.857 nan 8.270 nan 0.000 0.449 133 E N 2.753 122.787 120.200 -0.276 0.000 2.340 133 E HA 0.779 5.127 4.350 -0.005 0.000 0.273 133 E C -1.027 175.716 176.600 0.240 0.000 0.891 133 E CA -1.089 55.357 56.400 0.076 0.000 0.757 133 E CB 2.522 32.285 29.700 0.104 0.000 1.231 133 E HN 0.740 nan 8.360 nan 0.000 0.439 134 G N 1.266 110.330 108.800 0.439 0.000 2.325 134 G HA2 0.330 4.288 3.960 -0.005 0.000 0.297 134 G HA3 0.330 4.288 3.960 -0.005 0.000 0.297 134 G C -1.753 173.343 174.900 0.327 0.000 1.448 134 G CA -1.097 44.275 45.100 0.453 0.000 0.838 134 G HN 0.299 nan 8.290 nan 0.000 0.579 135 F N 0.028 120.119 119.950 0.236 0.000 2.412 135 F HA 0.728 5.252 4.527 -0.005 0.000 0.348 135 F C 0.841 176.598 175.800 -0.071 0.000 1.102 135 F CA -0.237 57.797 58.000 0.056 0.000 1.196 135 F CB 1.368 40.306 39.000 -0.102 0.000 1.144 135 F HN 0.198 nan 8.300 nan 0.000 0.541 136 L N 1.497 122.687 121.223 -0.056 0.000 2.333 136 L HA 0.441 4.778 4.340 -0.005 0.000 0.263 136 L C -1.332 175.310 176.870 -0.381 0.000 1.014 136 L CA -0.944 53.702 54.840 -0.323 0.000 0.820 136 L CB 1.972 43.564 42.059 -0.780 0.000 1.352 136 L HN 0.553 nan 8.230 nan 0.000 0.421 137 W N 2.409 123.443 121.300 -0.443 0.000 2.358 137 W HA 0.413 5.070 4.660 -0.005 0.000 0.307 137 W C 0.175 176.521 176.519 -0.289 0.000 1.203 137 W CA -0.143 56.911 57.345 -0.485 0.000 1.279 137 W CB 0.661 29.403 29.460 -1.197 0.000 1.264 137 W HN 0.159 nan 8.180 nan 0.000 0.474 138 K N 4.243 124.679 120.400 0.061 0.000 2.244 138 K HA 0.395 4.712 4.320 -0.005 0.000 0.260 138 K C -0.005 176.492 176.600 -0.172 0.000 0.951 138 K CA -0.931 55.343 56.287 -0.022 0.000 0.826 138 K CB 1.081 33.533 32.500 -0.080 0.000 1.108 138 K HN 0.439 nan 8.250 nan 0.000 0.433 139 R N 2.500 122.713 120.500 -0.480 0.000 2.401 139 R HA 0.096 4.433 4.340 -0.005 0.000 0.299 139 R C -0.050 176.050 176.300 -0.333 0.000 1.064 139 R CA 0.053 55.642 56.100 -0.851 0.000 1.000 139 R CB 0.414 30.100 30.300 -1.024 0.000 0.973 139 R HN 0.846 nan 8.270 nan 0.000 0.438 140 G N 3.161 111.811 108.800 -0.250 0.000 2.380 140 G HA2 -0.071 3.886 3.960 -0.005 0.000 0.242 140 G HA3 -0.071 3.886 3.960 -0.005 0.000 0.242 140 G C 0.710 175.564 174.900 -0.077 0.000 1.298 140 G CA -0.396 44.639 45.100 -0.109 0.000 0.878 140 G HN 0.868 nan 8.290 nan 0.000 0.542 141 R N 1.143 121.627 120.500 -0.026 0.000 2.113 141 R HA -0.145 4.192 4.340 -0.005 0.000 0.244 141 R C 1.304 177.607 176.300 0.004 0.000 1.142 141 R CA 2.319 58.425 56.100 0.010 0.000 0.953 141 R CB 0.004 30.323 30.300 0.030 0.000 0.860 141 R HN 0.665 nan 8.270 nan 0.000 0.438 142 D N -0.573 119.825 120.400 -0.003 0.000 2.320 142 D HA -0.086 4.551 4.640 -0.005 0.000 0.228 142 D C 1.518 177.811 176.300 -0.012 0.000 0.978 142 D CA 1.158 55.158 54.000 -0.000 0.000 0.905 142 D CB -0.536 40.269 40.800 0.008 0.000 1.051 142 D HN 0.374 nan 8.370 nan 0.000 0.471 143 N N 0.465 119.157 118.700 -0.014 0.000 2.409 143 N HA -0.015 4.722 4.740 -0.005 0.000 0.179 143 N C 1.493 176.994 175.510 -0.014 0.000 1.032 143 N CA 1.413 54.460 53.050 -0.006 0.000 0.898 143 N CB -0.392 38.101 38.487 0.010 0.000 0.971 143 N HN 0.227 nan 8.380 nan 0.000 0.441 144 G N -0.967 107.798 108.800 -0.058 0.000 2.148 144 G HA2 -0.273 3.684 3.960 -0.005 0.000 0.254 144 G HA3 -0.273 3.684 3.960 -0.005 0.000 0.254 144 G C -0.545 174.343 174.900 -0.020 0.000 0.981 144 G CA 0.134 45.184 45.100 -0.083 0.000 0.670 144 G HN 0.425 nan 8.290 nan 0.000 0.528 145 Q N -0.549 119.247 119.800 -0.007 0.000 2.256 145 Q HA 0.554 4.892 4.340 -0.005 0.000 0.254 145 Q C -0.276 175.767 176.000 0.070 0.000 0.916 145 Q CA -0.342 55.531 55.803 0.116 0.000 0.932 145 Q CB 0.800 29.603 28.738 0.108 0.000 1.207 145 Q HN 0.247 nan 8.270 nan 0.000 0.426 146 F N 3.159 123.203 119.950 0.158 0.000 2.404 146 F HA 0.360 4.884 4.527 -0.005 0.000 0.358 146 F C 0.255 176.274 175.800 0.364 0.000 1.120 146 F CA -0.291 57.847 58.000 0.229 0.000 1.144 146 F CB 0.473 39.647 39.000 0.290 0.000 1.133 146 F HN 0.186 nan 8.300 nan 0.000 0.495 147 L N 1.668 123.123 121.223 0.387 0.000 2.354 147 L HA 0.475 4.813 4.340 -0.005 0.000 0.264 147 L C 0.096 176.945 176.870 -0.034 0.000 1.008 147 L CA -1.114 53.896 54.840 0.283 0.000 0.819 147 L CB 2.121 44.266 42.059 0.142 0.000 1.339 147 L HN 0.388 nan 8.230 nan 0.000 0.420 148 S N 1.707 117.133 115.700 -0.456 0.000 2.481 148 S HA 0.412 4.879 4.470 -0.005 0.000 0.276 148 S C -0.438 174.090 174.600 -0.121 0.000 1.247 148 S CA -0.573 57.215 58.200 -0.687 0.000 1.053 148 S CB -0.162 62.373 63.200 -1.109 0.000 0.925 148 S HN 0.389 nan 8.310 nan 0.000 0.491 149 R N 3.360 123.858 120.500 -0.002 0.000 2.750 149 R HA 0.379 4.716 4.340 -0.005 0.000 0.281 149 R C -0.518 175.732 176.300 -0.083 0.000 0.972 149 R CA -0.853 55.274 56.100 0.045 0.000 0.912 149 R CB 1.099 31.368 30.300 -0.052 0.000 1.187 149 R HN 0.636 nan 8.270 nan 0.000 0.464 150 K N 2.000 122.154 120.400 -0.409 0.000 2.339 150 K HA 0.239 4.556 4.320 -0.005 0.000 0.286 150 K C -0.847 175.707 176.600 -0.076 0.000 1.050 150 K CA 0.134 56.044 56.287 -0.627 0.000 0.956 150 K CB 0.343 32.428 32.500 -0.692 0.000 0.990 150 K HN 0.240 nan 8.250 nan 0.000 0.475 151 F N 2.743 122.624 119.950 -0.115 0.000 2.480 151 F HA 0.372 4.896 4.527 -0.004 0.000 0.329 151 F C -0.167 175.745 175.800 0.186 0.000 1.091 151 F CA -0.771 57.215 58.000 -0.024 0.000 0.972 151 F CB 1.891 40.662 39.000 -0.381 0.000 1.150 151 F HN 0.060 nan 8.300 nan 0.000 0.467 152 V N 4.453 124.567 119.914 0.333 0.000 2.483 152 V HA 0.357 4.475 4.120 -0.005 0.000 0.297 152 V C -1.084 175.100 176.094 0.151 0.000 1.027 152 V CA -0.758 61.675 62.300 0.222 0.000 0.855 152 V CB 1.841 33.790 31.823 0.209 0.000 0.995 152 V HN 0.490 nan 8.190 nan 0.000 0.424 153 L N 4.820 126.107 121.223 0.107 0.000 2.257 153 L HA 0.742 5.079 4.340 -0.005 0.000 0.290 153 L C 0.110 176.916 176.870 -0.107 0.000 1.044 153 L CA 0.623 55.497 54.840 0.056 0.000 0.810 153 L CB 1.382 43.531 42.059 0.150 0.000 1.193 153 L HN 0.790 nan 8.230 nan 0.000 0.425 154 T N 3.055 117.617 114.554 0.014 0.000 2.890 154 T HA 0.333 4.680 4.350 -0.005 0.000 0.295 154 T C 0.702 175.462 174.700 0.101 0.000 0.993 154 T CA -0.401 61.768 62.100 0.114 0.000 0.979 154 T CB 0.687 69.679 68.868 0.207 0.000 0.967 154 T HN 0.816 nan 8.240 nan 0.000 0.441 155 E N 2.200 122.470 120.200 0.116 0.000 2.152 155 E HA -0.098 4.249 4.350 -0.005 0.000 0.192 155 E C 2.370 179.024 176.600 0.091 0.000 0.983 155 E CA 0.288 56.751 56.400 0.104 0.000 0.818 155 E CB 0.145 29.917 29.700 0.119 0.000 0.758 155 E HN 0.452 nan 8.360 nan 0.000 0.467 156 R N 1.204 121.761 120.500 0.094 0.000 2.096 156 R HA -0.180 4.158 4.340 -0.005 0.000 0.240 156 R C 1.542 177.878 176.300 0.060 0.000 1.139 156 R CA 1.989 58.131 56.100 0.069 0.000 0.952 156 R CB -0.560 29.783 30.300 0.071 0.000 0.854 156 R HN 0.358 nan 8.270 nan 0.000 0.436 157 E N -1.659 118.581 120.200 0.066 0.000 2.479 157 E HA 0.222 4.570 4.350 -0.005 0.000 0.193 157 E C 0.913 177.533 176.600 0.033 0.000 1.049 157 E CA 0.335 56.762 56.400 0.045 0.000 0.870 157 E CB 0.500 30.226 29.700 0.043 0.000 0.944 157 E HN 0.679 nan 8.360 nan 0.000 0.492 158 G N 1.411 110.238 108.800 0.045 0.000 2.273 158 G HA2 -0.212 3.745 3.960 -0.005 0.000 0.280 158 G HA3 -0.212 3.745 3.960 -0.005 0.000 0.280 158 G C -0.043 174.843 174.900 -0.023 0.000 1.047 158 G CA 0.348 45.466 45.100 0.029 0.000 0.869 158 G HN 0.469 nan 8.290 nan 0.000 0.502 159 A N -1.214 121.596 122.820 -0.017 0.000 2.594 159 A HA 0.827 5.144 4.320 -0.005 0.000 0.295 159 A C -0.738 176.823 177.584 -0.039 0.000 1.071 159 A CA -0.529 51.475 52.037 -0.055 0.000 0.685 159 A CB 1.647 20.599 19.000 -0.080 0.000 1.285 159 A HN 1.520 nan 8.150 nan 0.000 0.405 160 L N 1.939 123.123 121.223 -0.065 0.000 2.292 160 L HA 0.662 4.999 4.340 -0.005 0.000 0.284 160 L C 0.171 176.957 176.870 -0.140 0.000 1.065 160 L CA 0.092 54.913 54.840 -0.031 0.000 0.806 160 L CB 0.705 42.769 42.059 0.008 0.000 1.175 160 L HN 0.751 nan 8.230 nan 0.000 0.431 161 K N 3.799 124.104 120.400 -0.158 0.000 2.444 161 K HA 0.589 4.906 4.320 -0.005 0.000 0.252 161 K C -1.600 174.670 176.600 -0.550 0.000 0.993 161 K CA -0.785 55.242 56.287 -0.434 0.000 0.847 161 K CB 2.098 34.248 32.500 -0.583 0.000 1.340 161 K HN 0.578 nan 8.250 nan 0.000 0.446 162 Y N -1.457 118.243 120.300 -1.001 0.000 2.634 162 Y HA 0.756 5.303 4.550 -0.005 0.000 0.340 162 Y C -1.472 173.750 175.900 -1.131 0.000 1.058 162 Y CA -1.453 55.937 58.100 -1.184 0.000 1.081 162 Y CB 1.297 38.690 38.460 -1.778 0.000 1.295 162 Y HN 0.427 nan 8.280 nan 0.000 0.487 163 F N -0.235 119.521 119.950 -0.323 0.000 2.577 163 F HA 0.661 5.185 4.527 -0.005 0.000 0.318 163 F C 0.515 176.254 175.800 -0.102 0.000 1.065 163 F CA -0.522 57.333 58.000 -0.242 0.000 0.929 163 F CB 1.272 40.156 39.000 -0.194 0.000 1.237 163 F HN 0.944 nan 8.300 nan 0.000 0.468 164 N N 0.129 118.882 118.700 0.088 0.000 2.381 164 N HA 0.705 5.442 4.740 -0.005 0.000 0.254 164 N C 0.350 175.911 175.510 0.085 0.000 1.264 164 N CA -0.120 52.973 53.050 0.072 0.000 0.942 164 N CB 0.212 38.718 38.487 0.032 0.000 1.190 164 N HN 0.935 nan 8.380 nan 0.000 0.495 171 P HA 0.434 nan 4.420 nan 0.000 0.274 171 P C 1.044 178.049 177.300 -0.492 0.000 1.231 171 P CA 0.437 63.162 63.100 -0.626 0.000 0.790 171 P CB 1.266 32.425 31.700 -0.903 0.000 0.951 172 K N 0.623 120.620 120.400 -0.672 0.000 2.097 172 K HA 0.261 4.578 4.320 -0.005 0.000 0.205 172 K C 1.168 177.367 176.600 -0.668 0.000 1.050 172 K CA 1.521 57.460 56.287 -0.581 0.000 0.938 172 K CB -0.578 31.598 32.500 -0.539 0.000 0.718 172 K HN 0.883 nan 8.250 nan 0.000 0.442 173 A N -0.651 121.543 122.820 -1.042 0.000 2.520 173 A HA 0.601 4.919 4.320 -0.005 0.000 0.298 173 A C -1.335 175.854 177.584 -0.657 0.000 1.051 173 A CA -0.430 51.179 52.037 -0.713 0.000 0.690 173 A CB 2.093 20.752 19.000 -0.567 0.000 1.281 173 A HN 0.290 nan 8.150 nan 0.000 0.402 174 V N 2.803 122.464 119.914 -0.421 0.000 2.357 174 V HA 0.465 4.583 4.120 -0.005 0.000 0.284 174 V C -0.213 175.674 176.094 -0.345 0.000 1.018 174 V CA 0.007 62.100 62.300 -0.344 0.000 0.841 174 V CB 1.040 32.730 31.823 -0.222 0.000 0.991 174 V HN 0.867 nan 8.190 nan 0.000 0.437 175 M N 5.124 124.482 119.600 -0.404 0.000 2.060 175 M HA 0.442 4.919 4.480 -0.005 0.000 0.342 175 M C -0.187 175.992 176.300 -0.201 0.000 1.031 175 M CA -0.411 54.592 55.300 -0.495 0.000 0.981 175 M CB 1.012 33.127 32.600 -0.809 0.000 1.376 175 M HN 0.438 nan 8.290 nan 0.000 0.397 176 K N 1.290 121.634 120.400 -0.093 0.000 2.382 176 K HA 0.060 4.378 4.320 -0.005 0.000 0.275 176 K C 1.026 177.554 176.600 -0.121 0.000 1.009 176 K CA -0.281 55.956 56.287 -0.083 0.000 0.970 176 K CB 1.056 33.530 32.500 -0.043 0.000 0.934 176 K HN 0.536 nan 8.250 nan 0.000 0.479 177 I N 3.541 123.992 120.570 -0.197 0.000 2.361 177 I HA -0.259 3.908 4.170 -0.005 0.000 0.251 177 I C 2.188 177.981 176.117 -0.540 0.000 1.133 177 I CA 1.490 62.619 61.300 -0.285 0.000 1.413 177 I CB -0.309 37.544 38.000 -0.244 0.000 1.073 177 I HN 0.755 nan 8.210 nan 0.000 0.424 178 E N -0.335 119.387 120.200 -0.797 0.000 2.171 178 E HA -0.276 4.072 4.350 -0.005 0.000 0.197 178 E C 0.653 176.844 176.600 -0.683 0.000 0.997 178 E CA 1.721 57.468 56.400 -1.089 0.000 0.810 178 E CB -0.683 28.585 29.700 -0.720 0.000 0.738 178 E HN 0.614 nan 8.360 nan 0.000 0.467 179 H N -0.092 118.909 119.070 -0.116 0.000 2.510 179 H HA 0.342 4.895 4.556 -0.004 0.000 0.266 179 H C -0.203 175.141 175.328 0.026 0.000 1.146 179 H CA -0.490 55.555 56.048 -0.005 0.000 0.993 179 H CB 0.257 30.035 29.762 0.027 0.000 1.727 179 H HN 0.089 nan 8.280 nan 0.000 0.590 180 L N 1.602 122.856 121.223 0.053 0.000 2.349 180 L HA 0.257 4.594 4.340 -0.005 0.000 0.275 180 L C -0.164 176.742 176.870 0.060 0.000 1.115 180 L CA -0.244 54.638 54.840 0.069 0.000 0.820 180 L CB 0.684 42.746 42.059 0.005 0.000 1.135 180 L HN 0.080 nan 8.230 nan 0.000 0.445 181 N N 3.195 121.941 118.700 0.077 0.000 2.262 181 N HA 0.836 5.574 4.740 -0.005 0.000 0.295 181 N C -1.802 173.720 175.510 0.020 0.000 1.161 181 N CA -0.253 52.829 53.050 0.054 0.000 0.767 181 N CB 2.301 40.841 38.487 0.089 0.000 1.499 181 N HN 0.734 nan 8.380 nan 0.000 0.476 182 A N 0.673 123.494 122.820 0.001 0.000 2.455 182 A HA 0.711 5.028 4.320 -0.005 0.000 0.300 182 A C -1.125 176.414 177.584 -0.075 0.000 1.040 182 A CA -0.565 51.450 52.037 -0.037 0.000 0.697 182 A CB 1.440 20.458 19.000 0.030 0.000 1.265 182 A HN 0.553 nan 8.150 nan 0.000 0.407 183 T N 1.233 115.624 114.554 -0.271 0.000 3.041 183 T HA 0.574 4.921 4.350 -0.005 0.000 0.321 183 T C -1.447 172.992 174.700 -0.436 0.000 1.184 183 T CA -0.318 61.549 62.100 -0.389 0.000 1.050 183 T CB 0.296 68.886 68.868 -0.463 0.000 1.159 183 T HN 0.421 nan 8.240 nan 0.000 0.469 184 F N 3.508 123.206 119.950 -0.419 0.000 2.504 184 F HA 0.381 4.905 4.527 -0.005 0.000 0.369 184 F C 1.373 177.085 175.800 -0.146 0.000 1.082 184 F CA 0.059 57.886 58.000 -0.288 0.000 1.216 184 F CB 0.946 39.731 39.000 -0.357 0.000 1.108 184 F HN 0.341 nan 8.300 nan 0.000 0.554 185 Q N 5.752 125.631 119.800 0.132 0.000 2.928 185 Q HA 0.173 4.511 4.340 -0.005 0.000 0.353 185 Q C -1.976 174.103 176.000 0.132 0.000 0.870 185 Q CA -1.502 54.378 55.803 0.128 0.000 0.963 185 Q CB 0.844 29.678 28.738 0.161 0.000 1.419 185 Q HN 0.382 nan 8.270 nan 0.000 0.396 186 P HA -0.170 nan 4.420 nan 0.000 0.215 186 P C 1.115 178.436 177.300 0.036 0.000 1.153 186 P CA 1.460 64.611 63.100 0.085 0.000 0.853 186 P CB 0.324 32.053 31.700 0.048 0.000 0.788 187 A N 0.589 123.429 122.820 0.033 0.000 1.877 187 A HA -0.200 4.117 4.320 -0.005 0.000 0.216 187 A C 2.429 180.014 177.584 0.001 0.000 1.186 187 A CA 1.962 54.009 52.037 0.017 0.000 0.620 187 A CB -1.244 17.781 19.000 0.041 0.000 0.822 187 A HN 0.129 nan 8.150 nan 0.000 0.443 188 K N -0.477 119.932 120.400 0.014 0.000 2.025 188 K HA -0.000 4.317 4.320 -0.005 0.000 0.207 188 K C 1.742 178.277 176.600 -0.109 0.000 1.049 188 K CA 1.456 57.700 56.287 -0.073 0.000 0.933 188 K CB -0.234 32.243 32.500 -0.039 0.000 0.714 188 K HN 0.510 nan 8.250 nan 0.000 0.438 189 I N -0.110 120.451 120.570 -0.015 0.000 2.761 189 I HA -0.032 4.136 4.170 -0.005 0.000 0.261 189 I C 1.140 177.260 176.117 0.005 0.000 1.198 189 I CA 0.796 62.117 61.300 0.035 0.000 1.482 189 I CB 0.070 38.177 38.000 0.177 0.000 1.100 189 I HN 0.520 nan 8.210 nan 0.000 0.445 190 G N 0.877 109.658 108.800 -0.032 0.000 2.143 190 G HA2 -0.273 3.685 3.960 -0.005 0.000 0.248 190 G HA3 -0.273 3.685 3.960 -0.005 0.000 0.248 190 G C 0.186 175.001 174.900 -0.142 0.000 0.991 190 G CA 0.048 45.095 45.100 -0.088 0.000 0.689 190 G HN 0.505 nan 8.290 nan 0.000 0.522 191 H N -0.200 118.739 119.070 -0.219 0.000 2.856 191 H HA 0.391 4.944 4.556 -0.005 0.000 0.355 191 H C -2.035 173.175 175.328 -0.196 0.000 1.079 191 H CA -0.964 54.888 56.048 -0.327 0.000 1.240 191 H CB 2.678 32.118 29.762 -0.537 0.000 1.701 191 H HN -0.009 nan 8.280 nan 0.000 0.527 192 P HA -0.073 nan 4.420 nan 0.000 0.228 192 P C 0.285 177.729 177.300 0.240 0.000 1.151 192 P CA 1.248 64.310 63.100 -0.063 0.000 0.770 192 P CB 0.172 31.734 31.700 -0.231 0.000 0.786 193 H N -1.281 117.991 119.070 0.337 0.000 2.592 193 H HA 0.297 4.851 4.556 -0.004 0.000 0.279 193 H C 1.015 176.555 175.328 0.354 0.000 1.089 193 H CA -0.739 55.502 56.048 0.321 0.000 1.150 193 H CB 0.367 30.334 29.762 0.341 0.000 1.575 193 H HN 0.079 nan 8.280 nan 0.000 0.547 194 G N 1.716 110.756 108.800 0.400 0.000 2.335 194 G HA2 0.235 4.192 3.960 -0.005 0.000 0.268 194 G HA3 0.235 4.192 3.960 -0.005 0.000 0.268 194 G C -0.662 174.411 174.900 0.287 0.000 1.228 194 G CA -0.229 45.055 45.100 0.306 0.000 0.968 194 G HN 0.110 nan 8.290 nan 0.000 0.459 195 L N 2.148 123.432 121.223 0.102 0.000 2.305 195 L HA 0.444 4.782 4.340 -0.005 0.000 0.284 195 L C 0.042 176.831 176.870 -0.135 0.000 1.013 195 L CA -0.731 53.953 54.840 -0.259 0.000 0.819 195 L CB 1.951 43.679 42.059 -0.551 0.000 1.227 195 L HN 0.604 nan 8.230 nan 0.000 0.417 196 Q N 3.993 123.711 119.800 -0.136 0.000 2.303 196 Q HA 0.597 4.934 4.340 -0.005 0.000 0.257 196 Q C -1.690 174.196 176.000 -0.190 0.000 0.941 196 Q CA -0.601 55.133 55.803 -0.114 0.000 0.931 196 Q CB 1.366 30.134 28.738 0.050 0.000 1.215 196 Q HN 0.590 nan 8.270 nan 0.000 0.437 197 V N 3.952 123.734 119.914 -0.220 0.000 2.459 197 V HA 0.499 4.616 4.120 -0.005 0.000 0.295 197 V C 0.041 176.102 176.094 -0.055 0.000 1.029 197 V CA -0.582 61.646 62.300 -0.120 0.000 0.874 197 V CB 1.608 33.365 31.823 -0.109 0.000 0.985 197 V HN 0.970 nan 8.190 nan 0.000 0.438 198 T N 2.171 116.750 114.554 0.042 0.000 2.912 198 T HA 0.876 5.223 4.350 -0.005 0.000 0.288 198 T C -0.852 173.977 174.700 0.215 0.000 1.030 198 T CA -0.581 61.574 62.100 0.092 0.000 1.020 198 T CB 1.984 70.900 68.868 0.080 0.000 1.056 198 T HN 0.830 nan 8.240 nan 0.000 0.480 199 Y N 0.240 120.541 120.300 0.001 0.000 2.744 199 Y HA 0.805 5.352 4.550 -0.005 0.000 0.330 199 Y C -2.222 173.688 175.900 0.017 0.000 1.263 199 Y CA -1.883 56.228 58.100 0.019 0.000 1.065 199 Y CB 0.926 39.387 38.460 0.001 0.000 1.306 199 Y HN 0.674 nan 8.280 nan 0.000 0.459 200 L N 2.327 123.585 121.223 0.058 0.000 2.305 200 L HA 0.758 5.096 4.340 -0.005 0.000 0.284 200 L C -0.635 176.237 176.870 0.004 0.000 1.013 200 L CA -0.726 54.075 54.840 -0.066 0.000 0.819 200 L CB 0.910 42.942 42.059 -0.045 0.000 1.227 200 L HN 0.926 nan 8.230 nan 0.000 0.417 201 K N 2.444 122.773 120.400 -0.118 0.000 2.507 201 K HA 0.560 4.878 4.320 -0.005 0.000 0.253 201 K C -0.146 176.431 176.600 -0.039 0.000 0.969 201 K CA -0.373 55.903 56.287 -0.018 0.000 0.908 201 K CB 0.213 32.699 32.500 -0.023 0.000 1.127 201 K HN 0.657 nan 8.250 nan 0.000 0.437 202 D N 1.666 122.060 120.400 -0.010 0.000 2.705 202 D HA -0.304 4.334 4.640 -0.005 0.000 0.240 202 D C 0.934 177.210 176.300 -0.040 0.000 1.137 202 D CA 2.421 56.409 54.000 -0.019 0.000 0.677 202 D CB -1.759 39.030 40.800 -0.018 0.000 1.049 202 D HN 1.696 nan 8.370 nan 0.000 0.427 203 N N -2.624 116.046 118.700 -0.050 0.000 2.951 203 N HA -0.300 4.437 4.740 -0.005 0.000 0.213 203 N C 0.508 175.959 175.510 -0.098 0.000 0.877 203 N CA 2.316 55.322 53.050 -0.073 0.000 1.042 203 N CB -1.716 36.738 38.487 -0.055 0.000 1.005 203 N HN 1.100 nan 8.380 nan 0.000 0.604 204 S N -1.109 114.531 115.700 -0.100 0.000 2.565 204 S HA 0.663 5.130 4.470 -0.005 0.000 0.290 204 S C 0.006 174.508 174.600 -0.163 0.000 1.150 204 S CA 0.208 58.334 58.200 -0.122 0.000 1.058 204 S CB 1.897 65.031 63.200 -0.109 0.000 1.032 204 S HN 0.642 nan 8.310 nan 0.000 0.510 205 T N 3.976 118.434 114.554 -0.160 0.000 2.749 205 T HA 0.403 4.751 4.350 -0.005 0.000 0.295 205 T C -0.143 174.430 174.700 -0.211 0.000 0.936 205 T CA -0.640 61.352 62.100 -0.178 0.000 1.060 205 T CB 0.077 68.889 68.868 -0.093 0.000 0.904 205 T HN 0.441 nan 8.240 nan 0.000 0.500 206 R N 3.393 123.637 120.500 -0.426 0.000 2.532 206 R HA 0.462 4.799 4.340 -0.005 0.000 0.295 206 R C -0.322 175.798 176.300 -0.300 0.000 0.968 206 R CA -0.921 54.919 56.100 -0.432 0.000 0.916 206 R CB 0.631 30.461 30.300 -0.783 0.000 1.124 206 R HN 0.477 nan 8.270 nan 0.000 0.463 207 N N 1.971 120.570 118.700 -0.169 0.000 2.430 207 N HA 0.438 5.175 4.740 -0.005 0.000 0.292 207 N C -0.412 174.843 175.510 -0.425 0.000 1.051 207 N CA -0.437 52.427 53.050 -0.309 0.000 0.917 207 N CB 2.075 40.374 38.487 -0.313 0.000 1.164 207 N HN 0.572 nan 8.380 nan 0.000 0.484 208 I N 0.911 121.104 120.570 -0.628 0.000 2.533 208 I HA 0.520 4.687 4.170 -0.005 0.000 0.290 208 I C -1.641 174.024 176.117 -0.754 0.000 1.056 208 I CA -0.856 60.148 61.300 -0.495 0.000 1.057 208 I CB 1.019 38.947 38.000 -0.119 0.000 1.240 208 I HN 0.259 nan 8.210 nan 0.000 0.423 209 F N 8.262 128.176 119.950 -0.061 0.000 2.460 209 F HA 0.590 5.114 4.527 -0.005 0.000 0.341 209 F C 0.103 175.914 175.800 0.019 0.000 1.130 209 F CA -0.691 57.301 58.000 -0.014 0.000 0.962 209 F CB 1.524 40.533 39.000 0.015 0.000 1.171 209 F HN 0.330 nan 8.300 nan 0.000 0.436 210 I N 1.295 121.948 120.570 0.139 0.000 3.074 210 I HA 0.845 5.012 4.170 -0.005 0.000 0.310 210 I C -1.782 174.410 176.117 0.124 0.000 1.153 210 I CA -1.282 60.026 61.300 0.014 0.000 0.993 210 I CB 2.909 40.687 38.000 -0.370 0.000 1.237 210 I HN 0.611 nan 8.210 nan 0.000 0.443 211 Y N 0.504 120.820 120.300 0.027 0.000 2.609 211 Y HA 0.606 5.153 4.550 -0.005 0.000 0.336 211 Y C -1.586 174.391 175.900 0.128 0.000 1.129 211 Y CA -1.039 57.060 58.100 -0.002 0.000 1.040 211 Y CB 1.006 39.262 38.460 -0.340 0.000 1.310 211 Y HN 0.767 nan 8.280 nan 0.000 0.460 212 H N 1.825 121.127 119.070 0.386 0.000 2.529 212 H HA 0.376 4.929 4.556 -0.004 0.000 0.348 212 H C 0.015 175.735 175.328 0.653 0.000 1.152 212 H CA -0.226 56.087 56.048 0.441 0.000 1.202 212 H CB 2.322 32.283 29.762 0.332 0.000 1.562 212 H HN 1.051 nan 8.280 nan 0.000 0.515 213 E N 1.680 122.270 120.200 0.650 0.000 2.110 213 E HA -0.148 4.199 4.350 -0.005 0.000 0.193 213 E C -0.199 176.816 176.600 0.692 0.000 0.988 213 E CA 1.091 57.847 56.400 0.594 0.000 0.804 213 E CB 0.234 30.166 29.700 0.386 0.000 0.745 213 E HN 0.467 nan 8.360 nan 0.000 0.458 214 D N -1.141 119.709 120.400 0.750 0.000 2.233 214 D HA 0.165 4.802 4.640 -0.005 0.000 0.240 214 D C 1.021 177.320 176.300 -0.002 0.000 1.074 214 D CA -0.058 54.157 54.000 0.357 0.000 0.838 214 D CB 1.408 42.358 40.800 0.250 0.000 1.124 214 D HN -0.004 nan 8.370 nan 0.000 0.475 215 G N 3.755 112.416 108.800 -0.231 0.000 2.446 215 G HA2 -0.337 3.620 3.960 -0.005 0.000 0.217 215 G HA3 -0.337 3.620 3.960 -0.005 0.000 0.217 215 G C 1.373 176.164 174.900 -0.182 0.000 1.168 215 G CA 0.789 45.596 45.100 -0.488 0.000 0.771 215 G HN 0.562 nan 8.290 nan 0.000 0.551 216 K N 0.159 120.519 120.400 -0.067 0.000 2.063 216 K HA -0.135 4.182 4.320 -0.005 0.000 0.208 216 K C 2.345 178.954 176.600 0.015 0.000 1.048 216 K CA 1.479 57.771 56.287 0.008 0.000 0.928 216 K CB -0.078 32.439 32.500 0.028 0.000 0.713 216 K HN 0.160 nan 8.250 nan 0.000 0.442 217 E N 0.717 120.860 120.200 -0.095 0.000 2.150 217 E HA -0.165 4.183 4.350 -0.005 0.000 0.193 217 E C 1.938 178.601 176.600 0.106 0.000 0.985 217 E CA 0.722 57.025 56.400 -0.161 0.000 0.814 217 E CB -0.197 29.075 29.700 -0.713 0.000 0.752 217 E HN 0.337 nan 8.360 nan 0.000 0.466 218 I N 0.202 120.868 120.570 0.160 0.000 2.406 218 I HA -0.163 4.004 4.170 -0.005 0.000 0.249 218 I C 2.067 178.468 176.117 0.473 0.000 1.122 218 I CA 0.631 62.159 61.300 0.381 0.000 1.431 218 I CB 0.019 38.246 38.000 0.377 0.000 1.087 218 I HN -0.168 nan 8.210 nan 0.000 0.424 219 V N 0.731 120.853 119.914 0.347 0.000 2.427 219 V HA -0.261 3.857 4.120 -0.005 0.000 0.248 219 V C 2.113 178.412 176.094 0.341 0.000 1.051 219 V CA 1.992 64.524 62.300 0.386 0.000 1.048 219 V CB -0.901 31.044 31.823 0.204 0.000 0.666 219 V HN 0.370 nan 8.190 nan 0.000 0.456 220 D N -1.030 119.533 120.400 0.271 0.000 2.117 220 D HA -0.191 4.446 4.640 -0.005 0.000 0.197 220 D C 1.882 178.308 176.300 0.211 0.000 0.987 220 D CA 1.287 55.444 54.000 0.263 0.000 0.829 220 D CB -0.256 40.664 40.800 0.200 0.000 0.961 220 D HN 0.586 nan 8.370 nan 0.000 0.460 221 W N 0.197 121.589 121.300 0.153 0.000 2.355 221 W HA -0.157 4.501 4.660 -0.004 0.000 0.309 221 W C 2.172 178.740 176.519 0.082 0.000 1.206 221 W CA 0.303 57.702 57.345 0.090 0.000 1.284 221 W CB -0.569 28.914 29.460 0.038 0.000 1.145 221 W HN -0.090 nan 8.180 nan 0.000 0.502 222 F N 1.899 121.970 119.950 0.202 0.000 2.043 222 F HA -0.320 4.205 4.527 -0.005 0.000 0.297 222 F C 2.072 177.867 175.800 -0.008 0.000 1.121 222 F CA 2.062 60.074 58.000 0.021 0.000 1.199 222 F CB -1.028 38.012 39.000 0.067 0.000 0.968 222 F HN -0.172 nan 8.300 nan 0.000 0.478 223 N N 0.421 119.022 118.700 -0.165 0.000 2.331 223 N HA -0.068 4.669 4.740 -0.005 0.000 0.180 223 N C 1.954 177.405 175.510 -0.098 0.000 1.019 223 N CA 1.069 53.929 53.050 -0.318 0.000 0.881 223 N CB -0.482 37.678 38.487 -0.545 0.000 0.972 223 N HN 0.423 nan 8.380 nan 0.000 0.435 224 A N 1.391 124.225 122.820 0.024 0.000 1.902 224 A HA -0.059 4.258 4.320 -0.005 0.000 0.217 224 A C 2.354 179.896 177.584 -0.069 0.000 1.181 224 A CA 0.867 52.911 52.037 0.011 0.000 0.623 224 A CB -0.675 18.334 19.000 0.016 0.000 0.818 224 A HN 0.179 nan 8.150 nan 0.000 0.443 225 L N -1.061 120.142 121.223 -0.033 0.000 2.083 225 L HA -0.190 4.147 4.340 -0.005 0.000 0.209 225 L C 2.858 179.638 176.870 -0.150 0.000 1.083 225 L CA 1.446 56.254 54.840 -0.055 0.000 0.752 225 L CB -0.444 41.607 42.059 -0.012 0.000 0.899 225 L HN 0.343 nan 8.230 nan 0.000 0.433 226 R N -0.145 120.199 120.500 -0.259 0.000 2.081 226 R HA -0.117 4.221 4.340 -0.005 0.000 0.235 226 R C 2.457 178.606 176.300 -0.251 0.000 1.131 226 R CA 1.289 57.244 56.100 -0.242 0.000 0.960 226 R CB -0.531 29.590 30.300 -0.299 0.000 0.856 226 R HN 0.347 nan 8.270 nan 0.000 0.436 227 A N 1.245 123.742 122.820 -0.538 0.000 1.933 227 A HA -0.125 4.193 4.320 -0.005 0.000 0.218 227 A C 2.337 179.576 177.584 -0.576 0.000 1.175 227 A CA 1.748 53.170 52.037 -1.024 0.000 0.628 227 A CB -0.542 17.617 19.000 -1.401 0.000 0.814 227 A HN 0.410 nan 8.150 nan 0.000 0.444 228 A N -0.591 122.084 122.820 -0.241 0.000 1.872 228 A HA -0.085 4.233 4.320 -0.005 0.000 0.214 228 A C 2.217 179.811 177.584 0.017 0.000 1.187 228 A CA 1.194 53.206 52.037 -0.041 0.000 0.614 228 A CB -0.440 18.558 19.000 -0.003 0.000 0.826 228 A HN 0.379 nan 8.150 nan 0.000 0.442 229 R N -1.297 119.201 120.500 -0.003 0.000 2.096 229 R HA -0.170 4.168 4.340 -0.005 0.000 0.240 229 R C 1.917 178.336 176.300 0.198 0.000 1.139 229 R CA 1.632 57.790 56.100 0.097 0.000 0.952 229 R CB -1.167 29.161 30.300 0.046 0.000 0.854 229 R HN 0.601 nan 8.270 nan 0.000 0.436 230 F N 1.278 121.163 119.950 -0.109 0.000 2.095 230 F HA -0.197 4.327 4.527 -0.005 0.000 0.298 230 F C 2.078 177.853 175.800 -0.043 0.000 1.104 230 F CA 1.732 59.664 58.000 -0.114 0.000 1.232 230 F CB -0.705 38.157 39.000 -0.229 0.000 0.987 230 F HN 0.172 nan 8.300 nan 0.000 0.475 231 H N -2.920 116.117 119.070 -0.055 0.000 2.428 231 H HA -0.142 4.411 4.556 -0.005 0.000 0.296 231 H C 1.945 177.237 175.328 -0.060 0.000 1.062 231 H CA 1.380 57.328 56.048 -0.167 0.000 1.350 231 H CB -0.467 29.248 29.762 -0.078 0.000 1.403 231 H HN 0.433 nan 8.280 nan 0.000 0.533 232 Y N 1.505 121.830 120.300 0.043 0.000 2.145 232 Y HA -0.183 4.364 4.550 -0.005 0.000 0.286 232 Y C 1.933 177.869 175.900 0.060 0.000 1.145 232 Y CA 1.227 59.350 58.100 0.039 0.000 1.148 232 Y CB -0.412 38.066 38.460 0.030 0.000 0.981 232 Y HN 0.068 nan 8.280 nan 0.000 0.507 233 L N 0.198 121.380 121.223 -0.068 0.000 2.201 233 L HA -0.199 4.138 4.340 -0.005 0.000 0.212 233 L C 2.428 179.290 176.870 -0.013 0.000 1.105 233 L CA 1.263 56.081 54.840 -0.037 0.000 0.775 233 L CB -0.503 41.643 42.059 0.145 0.000 0.913 233 L HN 0.329 nan 8.230 nan 0.000 0.440 234 Q N -0.899 118.835 119.800 -0.110 0.000 2.230 234 Q HA -0.125 4.213 4.340 -0.005 0.000 0.202 234 Q C 2.243 178.188 176.000 -0.093 0.000 0.963 234 Q CA 1.016 56.753 55.803 -0.109 0.000 0.866 234 Q CB 0.153 28.755 28.738 -0.226 0.000 0.931 234 Q HN 0.379 nan 8.270 nan 0.000 0.452 235 V N 0.069 119.890 119.914 -0.155 0.000 2.500 235 V HA -0.078 4.040 4.120 -0.005 0.000 0.243 235 V C 2.055 178.016 176.094 -0.222 0.000 1.039 235 V CA 1.487 63.690 62.300 -0.161 0.000 1.053 235 V CB -0.414 31.323 31.823 -0.145 0.000 0.695 235 V HN 0.306 nan 8.190 nan 0.000 0.463 236 A N -0.785 121.818 122.820 -0.363 0.000 2.014 236 A HA 0.033 4.350 4.320 -0.005 0.000 0.218 236 A C 1.047 178.268 177.584 -0.605 0.000 1.163 236 A CA 1.141 52.880 52.037 -0.497 0.000 0.652 236 A CB -0.325 18.264 19.000 -0.685 0.000 0.808 236 A HN 0.501 nan 8.150 nan 0.000 0.449 237 F N 0.839 120.691 119.950 -0.163 0.000 2.523 237 F HA 0.305 4.829 4.527 -0.005 0.000 0.322 237 F C -2.423 173.336 175.800 -0.068 0.000 1.361 237 F CA -2.927 55.023 58.000 -0.084 0.000 1.151 237 F CB 0.943 39.911 39.000 -0.053 0.000 1.391 237 F HN 0.013 nan 8.300 nan 0.000 0.566 238 P HA 0.176 nan 4.420 nan 0.000 0.269 238 P C 0.975 178.306 177.300 0.052 0.000 1.215 238 P CA 0.860 63.972 63.100 0.020 0.000 0.780 238 P CB 1.451 33.139 31.700 -0.020 0.000 0.898 239 G N 1.117 109.944 108.800 0.045 0.000 2.328 239 G HA2 -0.286 3.671 3.960 -0.005 0.000 0.256 239 G HA3 -0.286 3.671 3.960 -0.005 0.000 0.256 239 G C 0.499 175.441 174.900 0.070 0.000 1.014 239 G CA 0.310 45.441 45.100 0.052 0.000 0.620 239 G HN 0.913 nan 8.290 nan 0.000 0.530 240 A N 0.618 123.498 122.820 0.101 0.000 2.498 240 A HA 0.608 4.926 4.320 -0.005 0.000 0.239 240 A C 1.031 178.658 177.584 0.072 0.000 1.068 240 A CA 1.170 53.261 52.037 0.091 0.000 0.766 240 A CB 0.226 19.291 19.000 0.108 0.000 1.003 240 A HN 2.033 nan 8.150 nan 0.000 0.497 241 S N 1.245 116.982 115.700 0.062 0.000 2.632 241 S HA 0.284 4.751 4.470 -0.005 0.000 0.271 241 S C 0.198 174.865 174.600 0.112 0.000 1.260 241 S CA -0.266 57.980 58.200 0.075 0.000 1.010 241 S CB 1.001 64.235 63.200 0.056 0.000 0.965 241 S HN 0.592 nan 8.310 nan 0.000 0.534 242 D N 1.437 121.934 120.400 0.161 0.000 2.178 242 D HA -0.001 4.636 4.640 -0.005 0.000 0.201 242 D C 2.107 178.489 176.300 0.136 0.000 0.980 242 D CA 1.643 55.810 54.000 0.278 0.000 0.842 242 D CB -0.711 40.287 40.800 0.329 0.000 0.948 242 D HN 0.708 nan 8.370 nan 0.000 0.472 243 A N 0.794 123.655 122.820 0.070 0.000 1.969 243 A HA -0.155 4.162 4.320 -0.005 0.000 0.218 243 A C 1.763 179.352 177.584 0.008 0.000 1.169 243 A CA 1.375 53.422 52.037 0.017 0.000 0.635 243 A CB -0.178 18.829 19.000 0.011 0.000 0.810 243 A HN 0.044 nan 8.150 nan 0.000 0.445 244 D N -0.274 120.137 120.400 0.019 0.000 2.234 244 D HA 0.010 4.647 4.640 -0.005 0.000 0.205 244 D C 1.901 178.184 176.300 -0.028 0.000 0.962 244 D CA 0.671 54.665 54.000 -0.010 0.000 0.855 244 D CB -0.017 40.773 40.800 -0.016 0.000 0.951 244 D HN 0.452 nan 8.370 nan 0.000 0.500 245 L N 0.255 121.493 121.223 0.025 0.000 2.127 245 L HA -0.058 4.279 4.340 -0.005 0.000 0.203 245 L C 2.536 179.437 176.870 0.052 0.000 1.080 245 L CA 0.335 55.208 54.840 0.055 0.000 0.768 245 L CB -0.299 41.895 42.059 0.226 0.000 0.924 245 L HN -0.132 nan 8.230 nan 0.000 0.444 246 V N 0.665 120.585 119.914 0.011 0.000 2.392 246 V HA -0.174 3.944 4.120 -0.005 0.000 0.249 246 V C -0.395 175.670 176.094 -0.049 0.000 1.059 246 V CA 1.940 64.192 62.300 -0.081 0.000 1.051 246 V CB -1.419 30.306 31.823 -0.162 0.000 0.658 246 V HN 0.355 nan 8.190 nan 0.000 0.455 247 P HA -0.064 nan 4.420 nan 0.000 0.234 247 P C 1.069 178.369 177.300 0.001 0.000 1.167 247 P CA 1.073 64.162 63.100 -0.017 0.000 0.763 247 P CB -0.080 31.607 31.700 -0.021 0.000 0.835 248 K N -1.125 119.275 120.400 -0.000 0.000 2.358 248 K HA 0.206 4.523 4.320 -0.005 0.000 0.197 248 K C 1.583 178.205 176.600 0.037 0.000 1.025 248 K CA -0.034 56.261 56.287 0.013 0.000 1.104 248 K CB -0.008 32.480 32.500 -0.020 0.000 0.855 248 K HN 0.167 nan 8.250 nan 0.000 0.531 249 L N 0.961 122.201 121.223 0.028 0.000 2.005 249 L HA -0.094 4.243 4.340 -0.005 0.000 0.207 249 L C 1.112 177.984 176.870 0.005 0.000 1.072 249 L CA 1.012 55.865 54.840 0.022 0.000 0.744 249 L CB -0.319 41.729 42.059 -0.017 0.000 0.895 249 L HN 0.163 nan 8.230 nan 0.000 0.433 250 S N -1.253 114.453 115.700 0.009 0.000 2.596 250 S HA 0.678 5.145 4.470 -0.005 0.000 0.270 250 S C -0.819 173.808 174.600 0.045 0.000 1.155 250 S CA -1.074 57.138 58.200 0.020 0.000 0.827 250 S CB 2.658 65.859 63.200 0.001 0.000 1.130 250 S HN 0.160 nan 8.310 nan 0.000 0.467 251 R N 0.643 121.160 120.500 0.027 0.000 2.686 251 R HA 0.581 4.918 4.340 -0.005 0.000 0.283 251 R C -1.347 174.899 176.300 -0.090 0.000 0.978 251 R CA -0.907 55.205 56.100 0.020 0.000 0.897 251 R CB 1.236 31.576 30.300 0.067 0.000 1.192 251 R HN 0.584 nan 8.270 nan 0.000 0.457 252 N N 1.341 119.998 118.700 -0.073 0.000 2.508 252 N HA 0.220 4.957 4.740 -0.005 0.000 0.285 252 N C -0.768 174.708 175.510 -0.057 0.000 1.144 252 N CA -0.340 52.602 53.050 -0.180 0.000 0.978 252 N CB 0.701 39.144 38.487 -0.074 0.000 1.180 252 N HN 0.405 nan 8.380 nan 0.000 0.484 253 Y N 0.658 120.980 120.300 0.037 0.000 2.346 253 Y HA 0.031 4.578 4.550 -0.004 0.000 0.330 253 Y C 1.368 177.259 175.900 -0.015 0.000 1.178 253 Y CA -0.898 57.221 58.100 0.031 0.000 1.331 253 Y CB 0.744 39.239 38.460 0.058 0.000 1.253 253 Y HN 0.321 nan 8.280 nan 0.000 0.529 254 L N 1.955 123.261 121.223 0.139 0.000 2.313 254 L HA 0.079 4.416 4.340 -0.005 0.000 0.214 254 L C 0.259 177.043 176.870 -0.143 0.000 1.119 254 L CA 1.181 56.017 54.840 -0.008 0.000 0.809 254 L CB -0.408 41.639 42.059 -0.020 0.000 0.933 254 L HN 0.568 nan 8.230 nan 0.000 0.449 255 K N -0.881 119.414 120.400 -0.175 0.000 2.774 255 K HA 0.314 4.631 4.320 -0.005 0.000 0.283 255 K C -1.556 174.815 176.600 -0.382 0.000 1.050 255 K CA -0.491 55.534 56.287 -0.437 0.000 0.872 255 K CB 1.069 33.012 32.500 -0.927 0.000 1.434 255 K HN -0.072 nan 8.250 nan 0.000 0.372 256 E N 0.608 120.569 120.200 -0.398 0.000 2.408 256 E HA 0.713 5.060 4.350 -0.005 0.000 0.275 256 E C -0.901 175.371 176.600 -0.547 0.000 0.935 256 E CA -1.007 55.207 56.400 -0.310 0.000 0.775 256 E CB 2.265 31.945 29.700 -0.035 0.000 1.277 256 E HN 0.887 nan 8.360 nan 0.000 0.455 257 G N 0.411 108.556 108.800 -1.092 0.000 2.361 257 G HA2 0.037 3.994 3.960 -0.005 0.000 0.305 257 G HA3 0.037 3.994 3.960 -0.005 0.000 0.305 257 G C -1.883 172.772 174.900 -0.408 0.000 1.367 257 G CA -1.100 43.439 45.100 -0.935 0.000 0.951 257 G HN 0.362 nan 8.290 nan 0.000 0.615 258 Y N 0.205 120.566 120.300 0.102 0.000 2.359 258 Y HA 0.676 5.224 4.550 -0.004 0.000 0.330 258 Y C 1.324 177.485 175.900 0.436 0.000 1.143 258 Y CA 0.105 58.448 58.100 0.406 0.000 1.318 258 Y CB 1.105 39.900 38.460 0.558 0.000 1.234 258 Y HN 0.428 nan 8.280 nan 0.000 0.522 259 M N 2.190 122.153 119.600 0.606 0.000 2.569 259 M HA 0.299 4.776 4.480 -0.005 0.000 0.279 259 M C -1.375 175.130 176.300 0.341 0.000 1.253 259 M CA -0.827 54.656 55.300 0.305 0.000 0.867 259 M CB 2.901 35.134 32.600 -0.612 0.000 1.727 259 M HN 0.533 nan 8.290 nan 0.000 0.467 260 E N 2.010 122.330 120.200 0.200 0.000 2.175 260 E HA 0.379 4.726 4.350 -0.005 0.000 0.278 260 E C -1.077 175.745 176.600 0.370 0.000 0.969 260 E CA -0.628 55.871 56.400 0.165 0.000 0.796 260 E CB 1.818 31.489 29.700 -0.047 0.000 1.104 260 E HN 0.421 nan 8.360 nan 0.000 0.395 261 K N 0.905 121.503 120.400 0.330 0.000 2.295 261 K HA 0.622 4.939 4.320 -0.005 0.000 0.239 261 K C -0.287 176.218 176.600 -0.158 0.000 0.991 261 K CA -0.739 55.665 56.287 0.195 0.000 0.845 261 K CB 2.177 34.835 32.500 0.263 0.000 1.197 261 K HN 0.351 nan 8.250 nan 0.000 0.441 262 T N -0.720 113.561 114.554 -0.455 0.000 2.644 262 T HA 0.632 4.979 4.350 -0.005 0.000 0.253 262 T C -0.203 174.283 174.700 -0.357 0.000 0.910 262 T CA -0.414 61.300 62.100 -0.644 0.000 1.066 262 T CB 1.099 69.184 68.868 -1.304 0.000 1.484 262 T HN 0.770 nan 8.240 nan 0.000 0.560 263 G N 0.785 109.386 108.800 -0.330 0.000 2.705 263 G HA2 0.711 4.668 3.960 -0.005 0.000 0.299 263 G HA3 0.711 4.668 3.960 -0.005 0.000 0.299 263 G C -2.244 172.515 174.900 -0.236 0.000 1.315 263 G CA -1.068 43.905 45.100 -0.211 0.000 1.045 263 G HN 0.720 nan 8.290 nan 0.000 0.517 271 R N 2.030 122.575 120.500 0.075 0.000 2.621 271 R HA 0.421 4.759 4.340 -0.005 0.000 0.292 271 R C -0.847 175.473 176.300 0.033 0.000 0.969 271 R CA -1.233 54.882 56.100 0.026 0.000 0.887 271 R CB 3.032 33.344 30.300 0.021 0.000 1.180 271 R HN 0.585 nan 8.270 nan 0.000 0.450 272 K N 3.276 123.657 120.400 -0.031 0.000 2.339 272 K HA 0.175 4.492 4.320 -0.005 0.000 0.286 272 K C -0.560 176.164 176.600 0.206 0.000 1.050 272 K CA -0.061 56.222 56.287 -0.007 0.000 0.956 272 K CB 0.639 33.035 32.500 -0.173 0.000 0.990 272 K HN 0.378 nan 8.250 nan 0.000 0.475 273 R N 3.560 124.302 120.500 0.404 0.000 2.740 273 R HA 0.208 4.546 4.340 -0.005 0.000 0.273 273 R C -1.162 175.513 176.300 0.625 0.000 0.998 273 R CA -0.702 55.646 56.100 0.413 0.000 0.900 273 R CB 1.081 31.416 30.300 0.058 0.000 1.223 273 R HN 0.785 nan 8.270 nan 0.000 0.466 274 W N 4.037 125.521 121.300 0.307 0.000 2.311 274 W HA 0.321 4.978 4.660 -0.005 0.000 0.310 274 W C -1.377 175.208 176.519 0.111 0.000 1.274 274 W CA -0.145 57.274 57.345 0.124 0.000 1.215 274 W CB 0.421 29.846 29.460 -0.058 0.000 1.227 274 W HN 0.367 nan 8.180 nan 0.000 0.523 275 F N 2.910 122.687 119.950 -0.289 0.000 2.492 275 F HA 0.381 4.905 4.527 -0.005 0.000 0.327 275 F C 0.310 176.040 175.800 -0.116 0.000 1.079 275 F CA -0.510 57.425 58.000 -0.108 0.000 0.967 275 F CB 2.159 40.959 39.000 -0.333 0.000 1.169 275 F HN -0.073 nan 8.300 nan 0.000 0.472 276 T N 3.489 118.195 114.554 0.253 0.000 2.906 276 T HA 0.265 4.612 4.350 -0.005 0.000 0.302 276 T C -0.670 174.097 174.700 0.112 0.000 1.002 276 T CA -0.458 61.706 62.100 0.107 0.000 0.988 276 T CB 0.990 69.837 68.868 -0.035 0.000 0.972 276 T HN 0.381 nan 8.240 nan 0.000 0.447 277 M N 4.090 123.780 119.600 0.149 0.000 2.201 277 M HA 0.300 4.777 4.480 -0.005 0.000 0.345 277 M C -0.520 175.840 176.300 0.100 0.000 1.352 277 M CA -1.061 54.336 55.300 0.160 0.000 1.218 277 M CB -0.304 32.397 32.600 0.167 0.000 1.512 277 M HN 0.332 nan 8.290 nan 0.000 0.447 278 D N 4.051 124.503 120.400 0.086 0.000 2.479 278 D HA 0.252 4.890 4.640 -0.005 0.000 0.247 278 D C 0.296 176.688 176.300 0.154 0.000 1.119 278 D CA 0.415 54.527 54.000 0.186 0.000 0.922 278 D CB 0.216 41.107 40.800 0.152 0.000 1.014 278 D HN 0.770 nan 8.370 nan 0.000 0.510 279 D N 2.582 123.064 120.400 0.138 0.000 4.566 279 D HA -0.283 4.354 4.640 -0.005 0.000 0.168 279 D C 0.497 176.813 176.300 0.026 0.000 0.658 279 D CA 1.554 55.603 54.000 0.081 0.000 1.285 279 D CB -0.508 40.345 40.800 0.089 0.000 0.770 279 D HN 0.476 nan 8.370 nan 0.000 0.517 280 R N -0.837 119.664 120.500 0.002 0.000 2.437 280 R HA 0.324 4.661 4.340 -0.005 0.000 0.257 280 R C -0.050 176.176 176.300 -0.122 0.000 0.927 280 R CA -0.091 55.920 56.100 -0.148 0.000 1.078 280 R CB 0.938 31.111 30.300 -0.212 0.000 1.161 280 R HN -0.054 nan 8.270 nan 0.000 0.529 281 R N 1.155 121.672 120.500 0.028 0.000 2.265 281 R HA 0.276 4.613 4.340 -0.005 0.000 0.328 281 R C -0.943 175.392 176.300 0.058 0.000 0.969 281 R CA -0.718 55.419 56.100 0.060 0.000 0.832 281 R CB 1.020 31.373 30.300 0.088 0.000 1.139 281 R HN 0.034 nan 8.270 nan 0.000 0.457 282 L N 4.084 125.340 121.223 0.054 0.000 2.259 282 L HA 0.523 4.860 4.340 -0.005 0.000 0.288 282 L C -0.202 176.725 176.870 0.095 0.000 1.051 282 L CA 0.305 55.220 54.840 0.124 0.000 0.824 282 L CB 0.597 42.736 42.059 0.133 0.000 1.206 282 L HN 0.662 nan 8.230 nan 0.000 0.429 283 M N 5.725 125.356 119.600 0.050 0.000 2.423 283 M HA 0.453 4.930 4.480 -0.005 0.000 0.335 283 M C -1.133 175.033 176.300 -0.223 0.000 1.177 283 M CA -0.623 54.579 55.300 -0.163 0.000 1.038 283 M CB 1.572 34.084 32.600 -0.146 0.000 1.641 283 M HN 0.568 nan 8.290 nan 0.000 0.455 284 Y N -0.285 119.612 120.300 -0.671 0.000 2.545 284 Y HA 0.898 5.445 4.550 -0.005 0.000 0.348 284 Y C -1.709 173.688 175.900 -0.838 0.000 1.002 284 Y CA -1.543 56.074 58.100 -0.804 0.000 1.039 284 Y CB 1.198 38.926 38.460 -1.219 0.000 1.271 284 Y HN 0.502 nan 8.280 nan 0.000 0.467 285 F N 0.633 120.580 119.950 -0.004 0.000 2.613 285 F HA 0.494 5.018 4.527 -0.005 0.000 0.310 285 F C 0.914 176.808 175.800 0.155 0.000 1.085 285 F CA -1.325 56.716 58.000 0.069 0.000 0.945 285 F CB 2.231 41.299 39.000 0.115 0.000 1.298 285 F HN 0.453 nan 8.300 nan 0.000 0.455 286 K N 0.148 120.734 120.400 0.310 0.000 2.032 286 K HA -0.128 4.189 4.320 -0.005 0.000 0.209 286 K C -0.323 176.467 176.600 0.317 0.000 1.048 286 K CA 1.724 58.168 56.287 0.263 0.000 0.927 286 K CB -0.036 32.566 32.500 0.171 0.000 0.712 286 K HN 0.741 nan 8.250 nan 0.000 0.441 287 D N -2.414 118.133 120.400 0.246 0.000 2.756 287 D HA 0.143 4.780 4.640 -0.005 0.000 0.226 287 D C -2.236 173.943 176.300 -0.201 0.000 1.186 287 D CA -1.862 52.188 54.000 0.082 0.000 0.845 287 D CB 2.087 42.901 40.800 0.025 0.000 1.610 287 D HN -0.297 nan 8.370 nan 0.000 0.465 288 P HA -0.063 nan 4.420 nan 0.000 0.218 288 P C 0.778 177.627 177.300 -0.751 0.000 1.146 288 P CA 1.052 63.442 63.100 -1.184 0.000 0.813 288 P CB 0.209 30.916 31.700 -1.655 0.000 0.778 289 L N -1.428 119.439 121.223 -0.594 0.000 2.818 289 L HA 0.193 4.530 4.340 -0.005 0.000 0.243 289 L C 0.244 176.973 176.870 -0.235 0.000 1.185 289 L CA -0.418 53.989 54.840 -0.723 0.000 0.988 289 L CB -0.329 41.284 42.059 -0.745 0.000 1.292 289 L HN -0.164 nan 8.230 nan 0.000 0.519 290 D N 0.473 120.809 120.400 -0.108 0.000 2.400 290 D HA 0.080 4.717 4.640 -0.005 0.000 0.238 290 D C 1.013 177.428 176.300 0.193 0.000 1.157 290 D CA 0.362 54.410 54.000 0.080 0.000 0.889 290 D CB 1.619 42.536 40.800 0.194 0.000 1.199 290 D HN 0.103 nan 8.370 nan 0.000 0.436 291 A N 1.229 124.148 122.820 0.165 0.000 1.970 291 A HA 0.063 4.381 4.320 -0.005 0.000 0.216 291 A C 0.575 178.226 177.584 0.113 0.000 1.170 291 A CA 0.597 52.708 52.037 0.123 0.000 0.645 291 A CB 0.279 19.324 19.000 0.076 0.000 0.816 291 A HN 0.345 nan 8.150 nan 0.000 0.447 292 F N -1.963 118.083 119.950 0.161 0.000 2.577 292 F HA 0.735 5.259 4.527 -0.005 0.000 0.318 292 F C 0.395 176.288 175.800 0.154 0.000 1.065 292 F CA -1.745 56.320 58.000 0.109 0.000 0.929 292 F CB 1.134 40.141 39.000 0.012 0.000 1.237 292 F HN 0.431 nan 8.300 nan 0.000 0.468 293 A N 1.318 124.075 122.820 -0.105 0.000 2.354 293 A HA 0.521 4.838 4.320 -0.005 0.000 0.269 293 A C 1.150 178.440 177.584 -0.489 0.000 1.109 293 A CA -0.449 51.188 52.037 -0.666 0.000 0.800 293 A CB 0.461 18.963 19.000 -0.829 0.000 1.045 293 A HN 0.999 nan 8.150 nan 0.000 0.489 294 R N 1.041 121.182 120.500 -0.598 0.000 2.193 294 R HA 0.185 4.522 4.340 -0.005 0.000 0.213 294 R C 0.954 176.887 176.300 -0.611 0.000 1.055 294 R CA 0.963 56.813 56.100 -0.417 0.000 0.995 294 R CB 0.140 30.334 30.300 -0.177 0.000 0.893 294 R HN 0.918 nan 8.270 nan 0.000 0.459 295 G N -0.257 107.834 108.800 -1.182 0.000 2.340 295 G HA2 0.246 4.203 3.960 -0.005 0.000 0.299 295 G HA3 0.246 4.203 3.960 -0.005 0.000 0.299 295 G C -1.859 172.441 174.900 -1.000 0.000 1.291 295 G CA -0.651 43.846 45.100 -1.005 0.000 0.841 295 G HN 0.047 nan 8.290 nan 0.000 0.500 296 E N -1.190 118.805 120.200 -0.341 0.000 2.422 296 E HA 0.475 4.823 4.350 -0.005 0.000 0.289 296 E C -1.965 174.658 176.600 0.040 0.000 0.985 296 E CA -0.717 55.614 56.400 -0.115 0.000 0.812 296 E CB 2.240 31.846 29.700 -0.156 0.000 1.226 296 E HN 0.535 nan 8.360 nan 0.000 0.419 297 V N 4.594 124.519 119.914 0.017 0.000 2.448 297 V HA 0.410 4.527 4.120 -0.005 0.000 0.295 297 V C -0.356 175.705 176.094 -0.054 0.000 1.025 297 V CA -0.767 61.443 62.300 -0.149 0.000 0.859 297 V CB 1.063 32.614 31.823 -0.454 0.000 0.988 297 V HN 0.652 nan 8.190 nan 0.000 0.431 298 F N 6.554 126.440 119.950 -0.106 0.000 2.427 298 F HA 0.566 5.091 4.527 -0.005 0.000 0.352 298 F C -0.162 175.537 175.800 -0.169 0.000 1.100 298 F CA -0.581 57.364 58.000 -0.091 0.000 1.191 298 F CB 0.618 39.600 39.000 -0.029 0.000 1.128 298 F HN 0.262 nan 8.300 nan 0.000 0.533 299 I N 6.889 126.758 120.570 -1.169 0.000 2.437 299 I HA 0.319 4.487 4.170 -0.005 0.000 0.279 299 I C 0.596 175.773 176.117 -1.566 0.000 1.028 299 I CA -0.407 60.242 61.300 -1.086 0.000 1.142 299 I CB 0.224 37.928 38.000 -0.494 0.000 1.266 299 I HN 0.708 nan 8.210 nan 0.000 0.461 300 G N 4.426 112.015 108.800 -2.017 0.000 2.531 300 G HA2 0.519 4.476 3.960 -0.005 0.000 0.281 300 G HA3 0.519 4.476 3.960 -0.005 0.000 0.281 300 G C 0.031 174.665 174.900 -0.442 0.000 1.382 300 G CA -0.309 44.141 45.100 -1.083 0.000 1.045 300 G HN 0.598 nan 8.290 nan 0.000 0.533 301 S N -1.283 114.397 115.700 -0.034 0.000 2.632 301 S HA 0.206 4.674 4.470 -0.005 0.000 0.267 301 S C 1.344 176.078 174.600 0.223 0.000 1.276 301 S CA -0.039 58.217 58.200 0.093 0.000 0.998 301 S CB 1.795 65.064 63.200 0.115 0.000 0.953 301 S HN 0.770 nan 8.310 nan 0.000 0.547 302 K N 0.665 121.161 120.400 0.160 0.000 2.113 302 K HA -0.158 4.159 4.320 -0.005 0.000 0.208 302 K C 1.906 178.602 176.600 0.160 0.000 1.047 302 K CA 1.860 58.240 56.287 0.155 0.000 0.928 302 K CB -0.425 32.139 32.500 0.107 0.000 0.716 302 K HN 0.617 nan 8.250 nan 0.000 0.446 303 E N -0.239 120.058 120.200 0.162 0.000 2.204 303 E HA -0.047 4.300 4.350 -0.005 0.000 0.194 303 E C 1.784 178.490 176.600 0.177 0.000 0.989 303 E CA 1.148 57.637 56.400 0.149 0.000 0.824 303 E CB -0.055 29.733 29.700 0.146 0.000 0.756 303 E HN 0.417 nan 8.360 nan 0.000 0.477 304 S N -1.370 114.493 115.700 0.271 0.000 2.575 304 S HA 0.354 4.821 4.470 -0.005 0.000 0.215 304 S C 1.348 176.087 174.600 0.232 0.000 0.966 304 S CA 0.475 58.871 58.200 0.327 0.000 0.911 304 S CB 0.734 64.276 63.200 0.569 0.000 0.780 304 S HN 0.626 nan 8.310 nan 0.000 0.514 305 G N 0.789 109.684 108.800 0.158 0.000 2.135 305 G HA2 -0.213 3.744 3.960 -0.005 0.000 0.183 305 G HA3 -0.213 3.744 3.960 -0.005 0.000 0.183 305 G C -0.391 174.409 174.900 -0.166 0.000 1.004 305 G CA -0.614 44.469 45.100 -0.027 0.000 0.677 305 G HN 0.452 nan 8.290 nan 0.000 0.512 306 Y N 1.196 121.540 120.300 0.074 0.000 2.330 306 Y HA 0.655 5.202 4.550 -0.004 0.000 0.336 306 Y C 0.935 176.856 175.900 0.035 0.000 1.036 306 Y CA 0.222 58.351 58.100 0.049 0.000 1.125 306 Y CB 2.090 40.564 38.460 0.024 0.000 1.194 306 Y HN 0.396 nan 8.280 nan 0.000 0.469 307 T N -0.383 114.262 114.554 0.151 0.000 2.868 307 T HA 0.652 4.999 4.350 -0.005 0.000 0.306 307 T C -1.564 173.187 174.700 0.084 0.000 1.224 307 T CA -0.946 61.218 62.100 0.106 0.000 1.012 307 T CB 1.425 70.338 68.868 0.074 0.000 1.221 307 T HN 0.521 nan 8.240 nan 0.000 0.499 308 V N 2.521 122.484 119.914 0.081 0.000 2.604 308 V HA 0.807 4.924 4.120 -0.005 0.000 0.305 308 V C -1.487 174.645 176.094 0.063 0.000 1.043 308 V CA -1.006 61.335 62.300 0.068 0.000 0.888 308 V CB 1.131 33.023 31.823 0.116 0.000 0.995 308 V HN 0.951 nan 8.190 nan 0.000 0.429 309 L N 6.067 127.318 121.223 0.047 0.000 2.341 309 L HA 0.666 5.003 4.340 -0.005 0.000 0.267 309 L C -0.367 176.525 176.870 0.036 0.000 1.009 309 L CA -0.898 53.984 54.840 0.070 0.000 0.819 309 L CB 2.242 44.345 42.059 0.074 0.000 1.323 309 L HN 0.627 nan 8.230 nan 0.000 0.425 310 H N 0.734 119.860 119.070 0.093 0.000 2.505 310 H HA 0.443 4.997 4.556 -0.005 0.000 0.351 310 H C 0.400 175.775 175.328 0.078 0.000 1.151 310 H CA 0.561 56.668 56.048 0.098 0.000 1.339 310 H CB 1.694 31.511 29.762 0.091 0.000 1.483 310 H HN 0.814 nan 8.280 nan 0.000 0.558 311 G N -0.681 108.246 108.800 0.211 0.000 2.855 311 G HA2 -0.083 3.874 3.960 -0.005 0.000 0.352 311 G HA3 -0.083 3.874 3.960 -0.005 0.000 0.352 311 G C -0.665 174.280 174.900 0.075 0.000 1.415 311 G CA -0.244 44.933 45.100 0.128 0.000 0.871 311 G HN 0.666 nan 8.290 nan 0.000 0.543 312 F N 0.135 120.112 119.950 0.044 0.000 2.497 312 F HA 0.916 5.440 4.527 -0.005 0.000 0.331 312 F C -1.112 174.699 175.800 0.018 0.000 1.060 312 F CA -1.405 56.603 58.000 0.013 0.000 0.989 312 F CB 0.158 39.145 39.000 -0.021 0.000 1.245 312 F HN 0.751 nan 8.300 nan 0.000 0.486 313 P HA 0.309 nan 4.420 nan 0.000 0.271 313 P C -2.064 175.243 177.300 0.011 0.000 1.244 313 P CA -0.879 62.222 63.100 0.002 0.000 0.793 313 P CB 0.396 32.085 31.700 -0.018 0.000 0.984 314 P HA -0.116 nan 4.420 nan 0.000 0.215 314 P C 1.209 178.518 177.300 0.014 0.000 1.153 314 P CA 1.980 65.088 63.100 0.013 0.000 0.853 314 P CB -0.556 31.149 31.700 0.007 0.000 0.788 315 S N -1.062 114.641 115.700 0.004 0.000 2.881 315 S HA 0.050 4.517 4.470 -0.005 0.000 0.228 315 S C 0.676 175.285 174.600 0.015 0.000 0.965 315 S CA 0.469 58.670 58.200 0.002 0.000 0.998 315 S CB -1.219 61.973 63.200 -0.014 0.000 0.795 315 S HN 0.070 nan 8.310 nan 0.000 0.518 316 T N 2.431 117.007 114.554 0.037 0.000 2.728 316 T HA 0.626 4.973 4.350 -0.005 0.000 0.296 316 T C 0.105 174.877 174.700 0.121 0.000 0.940 316 T CA -0.068 62.078 62.100 0.076 0.000 1.013 316 T CB 1.107 70.019 68.868 0.074 0.000 0.912 316 T HN 0.660 nan 8.240 nan 0.000 0.484 317 Q N 1.165 121.051 119.800 0.143 0.000 2.399 317 Q HA 0.880 5.217 4.340 -0.005 0.000 0.276 317 Q C 0.140 176.291 176.000 0.252 0.000 1.098 317 Q CA -0.607 55.288 55.803 0.152 0.000 0.827 317 Q CB 1.941 30.729 28.738 0.083 0.000 1.386 317 Q HN 1.552 nan 8.270 nan 0.000 0.443 318 G N -1.741 107.186 108.800 0.212 0.000 2.484 318 G HA2 0.519 4.476 3.960 -0.005 0.000 0.685 318 G HA3 0.519 4.476 3.960 -0.005 0.000 0.685 318 G C -0.278 174.722 174.900 0.167 0.000 1.294 318 G CA 0.277 45.522 45.100 0.242 0.000 0.879 318 G HN 2.284 nan 8.290 nan 0.000 0.646 319 H N -0.020 119.101 119.070 0.084 0.000 2.722 319 H HA 0.818 5.372 4.556 -0.005 0.000 0.328 319 H C 0.616 175.905 175.328 -0.066 0.000 1.067 319 H CA 1.358 57.373 56.048 -0.055 0.000 1.447 319 H CB 0.914 30.657 29.762 -0.031 0.000 1.469 319 H HN 2.067 nan 8.280 nan 0.000 0.544 320 H N -1.155 117.785 119.070 -0.217 0.000 2.950 320 H HA 0.366 4.920 4.556 -0.005 0.000 0.307 320 H C -1.332 173.904 175.328 -0.154 0.000 1.403 320 H CA -1.498 54.313 56.048 -0.395 0.000 1.145 320 H CB -0.048 29.058 29.762 -1.092 0.000 1.844 320 H HN 0.648 nan 8.280 nan 0.000 0.515 321 W N 1.449 122.748 121.300 -0.002 0.000 2.209 321 W HA 0.176 4.833 4.660 -0.005 0.000 0.344 321 W C -1.782 174.785 176.519 0.080 0.000 1.285 321 W CA -1.567 55.798 57.345 0.032 0.000 1.267 321 W CB -0.285 29.224 29.460 0.081 0.000 1.167 321 W HN 0.634 nan 8.180 nan 0.000 0.574 322 P HA -0.014 nan 4.420 nan 0.000 0.255 322 P C -0.610 176.526 177.300 -0.272 0.000 1.248 322 P CA 0.776 63.815 63.100 -0.101 0.000 0.807 322 P CB 0.206 31.744 31.700 -0.268 0.000 1.150 323 H N -0.328 118.837 119.070 0.159 0.000 2.792 323 H HA 0.558 5.111 4.556 -0.004 0.000 0.298 323 H C 0.696 176.103 175.328 0.133 0.000 1.042 323 H CA -0.525 55.601 56.048 0.130 0.000 1.300 323 H CB 0.921 30.745 29.762 0.103 0.000 1.431 323 H HN -0.056 nan 8.280 nan 0.000 0.496 324 G N 2.662 111.573 108.800 0.185 0.000 2.400 324 G HA2 0.553 4.511 3.960 -0.005 0.000 0.301 324 G HA3 0.553 4.511 3.960 -0.005 0.000 0.301 324 G C -0.515 174.467 174.900 0.137 0.000 1.154 324 G CA -0.471 44.696 45.100 0.113 0.000 0.852 324 G HN 0.552 nan 8.290 nan 0.000 0.511 325 I N 0.575 121.220 120.570 0.125 0.000 2.582 325 I HA 0.346 4.513 4.170 -0.005 0.000 0.292 325 I C -0.436 175.728 176.117 0.079 0.000 1.066 325 I CA -0.673 60.704 61.300 0.128 0.000 1.053 325 I CB 2.827 40.965 38.000 0.230 0.000 1.241 325 I HN 0.295 nan 8.210 nan 0.000 0.421 326 T N 6.233 120.815 114.554 0.046 0.000 2.792 326 T HA 0.572 4.920 4.350 -0.005 0.000 0.280 326 T C -0.197 174.508 174.700 0.008 0.000 0.990 326 T CA -0.350 61.745 62.100 -0.008 0.000 0.960 326 T CB 1.231 70.092 68.868 -0.011 0.000 0.939 326 T HN 0.268 nan 8.240 nan 0.000 0.439 327 I N 3.337 123.904 120.570 -0.005 0.000 2.312 327 I HA 0.321 4.488 4.170 -0.005 0.000 0.290 327 I C -0.279 175.896 176.117 0.096 0.000 1.008 327 I CA -0.903 60.409 61.300 0.021 0.000 1.226 327 I CB 1.291 39.264 38.000 -0.046 0.000 1.371 327 I HN 0.275 nan 8.210 nan 0.000 0.468 328 V N 5.699 125.652 119.914 0.066 0.000 2.364 328 V HA 0.304 4.421 4.120 -0.005 0.000 0.272 328 V C 0.555 176.661 176.094 0.021 0.000 1.036 328 V CA -0.393 61.927 62.300 0.033 0.000 0.880 328 V CB 1.179 33.001 31.823 -0.001 0.000 0.991 328 V HN 0.859 nan 8.190 nan 0.000 0.460 329 T N 2.635 117.193 114.554 0.007 0.000 2.950 329 T HA 0.502 4.849 4.350 -0.005 0.000 0.288 329 T C -1.978 172.573 174.700 -0.248 0.000 1.035 329 T CA -2.216 59.753 62.100 -0.218 0.000 1.028 329 T CB 2.083 71.035 68.868 0.141 0.000 1.109 329 T HN 0.335 nan 8.240 nan 0.000 0.514 330 P HA 0.007 nan 4.420 nan 0.000 0.223 330 P C 0.556 177.805 177.300 -0.084 0.000 1.144 330 P CA 0.849 63.836 63.100 -0.187 0.000 0.783 330 P CB 0.086 31.686 31.700 -0.168 0.000 0.771 331 D N -1.226 119.153 120.400 -0.036 0.000 2.277 331 D HA 0.077 4.714 4.640 -0.005 0.000 0.209 331 D C 1.157 177.424 176.300 -0.055 0.000 0.970 331 D CA 0.755 54.754 54.000 -0.003 0.000 0.874 331 D CB 0.377 41.224 40.800 0.077 0.000 0.982 331 D HN 0.342 nan 8.370 nan 0.000 0.504 332 R N -1.594 118.855 120.500 -0.083 0.000 3.000 332 R HA 0.369 4.706 4.340 -0.005 0.000 0.280 332 R C -1.474 174.687 176.300 -0.232 0.000 0.950 332 R CA -0.879 55.099 56.100 -0.203 0.000 0.822 332 R CB 1.005 31.098 30.300 -0.345 0.000 1.445 332 R HN -0.310 nan 8.270 nan 0.000 0.492 333 K N 0.367 120.567 120.400 -0.334 0.000 2.156 333 K HA 0.524 4.841 4.320 -0.005 0.000 0.254 333 K C -1.313 174.961 176.600 -0.543 0.000 0.950 333 K CA -0.591 55.533 56.287 -0.271 0.000 0.849 333 K CB 1.213 33.603 32.500 -0.184 0.000 1.100 333 K HN 0.233 nan 8.250 nan 0.000 0.434 334 F N 2.240 122.048 119.950 -0.237 0.000 2.482 334 F HA 0.408 4.932 4.527 -0.004 0.000 0.331 334 F C -0.211 175.181 175.800 -0.679 0.000 1.115 334 F CA -0.920 56.802 58.000 -0.464 0.000 0.955 334 F CB 1.040 39.770 39.000 -0.449 0.000 1.136 334 F HN 0.065 nan 8.300 nan 0.000 0.452 335 L N 4.208 125.065 121.223 -0.611 0.000 2.296 335 L HA 0.564 4.901 4.340 -0.005 0.000 0.286 335 L C -1.153 175.322 176.870 -0.658 0.000 1.023 335 L CA -0.527 54.029 54.840 -0.475 0.000 0.812 335 L CB 1.276 43.216 42.059 -0.199 0.000 1.223 335 L HN 0.529 nan 8.230 nan 0.000 0.421 336 F N 1.525 121.486 119.950 0.018 0.000 2.540 336 F HA 0.669 5.194 4.527 -0.004 0.000 0.317 336 F C 0.220 176.019 175.800 -0.002 0.000 1.104 336 F CA -0.833 57.137 58.000 -0.051 0.000 0.913 336 F CB 2.090 40.926 39.000 -0.274 0.000 1.170 336 F HN 0.436 nan 8.300 nan 0.000 0.450 337 A N 2.274 125.232 122.820 0.230 0.000 2.303 337 A HA 0.691 5.008 4.320 -0.005 0.000 0.320 337 A C -1.043 176.776 177.584 0.392 0.000 1.192 337 A CA -0.527 51.632 52.037 0.203 0.000 0.821 337 A CB 0.416 19.432 19.000 0.028 0.000 1.188 337 A HN 0.879 nan 8.150 nan 0.000 0.492 338 C N 1.549 121.067 119.300 0.364 0.000 2.358 338 C HA 0.360 4.817 4.460 -0.005 0.000 0.342 338 C C 1.850 176.967 174.990 0.211 0.000 1.234 338 C CA -0.323 58.890 59.018 0.325 0.000 1.969 338 C CB 0.905 28.761 27.740 0.194 0.000 2.346 338 C HN 1.107 nan 8.230 nan 0.000 0.525 339 E N 0.823 120.826 120.200 -0.329 0.000 2.077 339 E HA -0.141 4.207 4.350 -0.005 0.000 0.193 339 E C 0.843 177.264 176.600 -0.298 0.000 0.989 339 E CA 1.449 57.257 56.400 -0.988 0.000 0.800 339 E CB 0.310 29.076 29.700 -1.557 0.000 0.746 339 E HN 0.885 nan 8.360 nan 0.000 0.452 340 T N -3.383 111.040 114.554 -0.218 0.000 2.906 340 T HA 0.158 4.505 4.350 -0.005 0.000 0.295 340 T C 0.508 174.870 174.700 -0.563 0.000 1.075 340 T CA -0.288 61.639 62.100 -0.289 0.000 1.005 340 T CB 1.743 70.485 68.868 -0.210 0.000 1.136 340 T HN -0.098 nan 8.240 nan 0.000 0.498 341 E N 0.933 120.605 120.200 -0.880 0.000 2.204 341 E HA -0.125 4.222 4.350 -0.005 0.000 0.195 341 E C 2.201 178.654 176.600 -0.245 0.000 0.990 341 E CA 1.962 57.973 56.400 -0.648 0.000 0.821 341 E CB -0.697 28.777 29.700 -0.377 0.000 0.750 341 E HN 0.716 nan 8.360 nan 0.000 0.477 342 S N 0.103 115.685 115.700 -0.196 0.000 2.345 342 S HA -0.187 4.280 4.470 -0.005 0.000 0.220 342 S C 1.795 176.339 174.600 -0.093 0.000 1.031 342 S CA 1.631 59.762 58.200 -0.115 0.000 0.996 342 S CB -0.669 62.470 63.200 -0.102 0.000 0.882 342 S HN 0.569 nan 8.310 nan 0.000 0.445 343 D N 1.001 121.351 120.400 -0.084 0.000 2.123 343 D HA -0.157 4.481 4.640 -0.005 0.000 0.196 343 D C 2.068 178.428 176.300 0.101 0.000 0.992 343 D CA 1.220 55.219 54.000 -0.001 0.000 0.833 343 D CB -0.622 40.221 40.800 0.072 0.000 0.954 343 D HN 0.604 nan 8.370 nan 0.000 0.455 344 Q N 0.374 120.213 119.800 0.066 0.000 2.061 344 Q HA -0.241 4.097 4.340 -0.005 0.000 0.204 344 Q C 2.407 178.470 176.000 0.105 0.000 0.984 344 Q CA 2.385 58.264 55.803 0.126 0.000 0.846 344 Q CB 0.055 28.857 28.738 0.106 0.000 0.902 344 Q HN 0.241 nan 8.270 nan 0.000 0.421 345 R N 0.856 121.385 120.500 0.050 0.000 2.092 345 R HA -0.135 4.202 4.340 -0.005 0.000 0.231 345 R C 1.764 178.051 176.300 -0.021 0.000 1.119 345 R CA 1.707 57.837 56.100 0.049 0.000 0.970 345 R CB -1.065 29.251 30.300 0.027 0.000 0.864 345 R HN 0.573 nan 8.270 nan 0.000 0.440 346 E N -1.065 119.077 120.200 -0.097 0.000 2.047 346 E HA -0.155 4.192 4.350 -0.005 0.000 0.191 346 E C 2.007 178.419 176.600 -0.313 0.000 0.987 346 E CA 1.179 57.443 56.400 -0.227 0.000 0.799 346 E CB -0.172 29.328 29.700 -0.333 0.000 0.752 346 E HN 0.784 nan 8.360 nan 0.000 0.449 347 W N 0.613 121.748 121.300 -0.274 0.000 2.355 347 W HA -0.185 4.472 4.660 -0.004 0.000 0.309 347 W C 2.326 178.541 176.519 -0.507 0.000 1.206 347 W CA 0.466 57.506 57.345 -0.509 0.000 1.284 347 W CB -0.387 28.797 29.460 -0.461 0.000 1.145 347 W HN -0.099 nan 8.180 nan 0.000 0.502 348 V N 0.611 120.543 119.914 0.030 0.000 2.332 348 V HA -0.347 3.770 4.120 -0.005 0.000 0.248 348 V C 2.267 178.379 176.094 0.031 0.000 1.055 348 V CA 2.096 64.424 62.300 0.046 0.000 1.038 348 V CB -1.464 30.313 31.823 -0.076 0.000 0.651 348 V HN 0.270 nan 8.190 nan 0.000 0.450 349 A N -0.510 122.295 122.820 -0.026 0.000 1.969 349 A HA -0.023 4.295 4.320 -0.005 0.000 0.218 349 A C 2.359 179.911 177.584 -0.054 0.000 1.169 349 A CA 1.888 53.908 52.037 -0.028 0.000 0.635 349 A CB -0.553 18.418 19.000 -0.049 0.000 0.810 349 A HN 0.564 nan 8.150 nan 0.000 0.445 350 A N -0.854 121.878 122.820 -0.148 0.000 1.872 350 A HA 0.082 4.399 4.320 -0.005 0.000 0.214 350 A C 2.018 179.597 177.584 -0.008 0.000 1.187 350 A CA 1.146 53.086 52.037 -0.162 0.000 0.614 350 A CB -0.785 18.001 19.000 -0.357 0.000 0.826 350 A HN 0.505 nan 8.150 nan 0.000 0.442 351 F N -0.417 119.567 119.950 0.056 0.000 2.126 351 F HA -0.267 4.257 4.527 -0.005 0.000 0.299 351 F C 2.743 178.549 175.800 0.010 0.000 1.096 351 F CA 1.383 59.404 58.000 0.035 0.000 1.255 351 F CB -0.147 38.885 39.000 0.054 0.000 0.997 351 F HN 0.266 nan 8.300 nan 0.000 0.479 352 Q N 1.195 121.115 119.800 0.200 0.000 2.167 352 Q HA -0.179 4.158 4.340 -0.005 0.000 0.202 352 Q C 1.944 177.989 176.000 0.075 0.000 0.970 352 Q CA 1.440 57.315 55.803 0.119 0.000 0.855 352 Q CB -0.239 28.556 28.738 0.095 0.000 0.911 352 Q HN 0.273 nan 8.270 nan 0.000 0.438 353 K N -0.950 119.483 120.400 0.056 0.000 2.097 353 K HA -0.092 4.226 4.320 -0.005 0.000 0.205 353 K C 1.822 178.437 176.600 0.025 0.000 1.050 353 K CA 1.114 57.419 56.287 0.030 0.000 0.938 353 K CB -0.215 32.290 32.500 0.008 0.000 0.718 353 K HN 0.259 nan 8.250 nan 0.000 0.442 354 A N 0.765 123.604 122.820 0.032 0.000 1.898 354 A HA -0.116 4.201 4.320 -0.005 0.000 0.216 354 A C 2.184 179.750 177.584 -0.031 0.000 1.181 354 A CA 1.748 53.776 52.037 -0.015 0.000 0.620 354 A CB -0.751 18.227 19.000 -0.037 0.000 0.819 354 A HN 0.298 nan 8.150 nan 0.000 0.442 355 V N -2.431 117.488 119.914 0.008 0.000 2.667 355 V HA -0.086 4.031 4.120 -0.005 0.000 0.252 355 V C 1.333 177.456 176.094 0.048 0.000 1.065 355 V CA 2.293 64.611 62.300 0.030 0.000 1.083 355 V CB -0.658 31.212 31.823 0.077 0.000 0.692 355 V HN 0.336 nan 8.190 nan 0.000 0.468 356 D N 0.331 120.758 120.400 0.044 0.000 2.347 356 D HA 0.091 4.729 4.640 -0.005 0.000 0.213 356 D C 1.253 177.574 176.300 0.035 0.000 0.985 356 D CA 0.582 54.608 54.000 0.044 0.000 0.879 356 D CB -0.057 40.769 40.800 0.042 0.000 0.919 356 D HN 0.487 nan 8.370 nan 0.000 0.526 357 R N 1.382 121.896 120.500 0.024 0.000 2.207 357 R HA 0.265 4.603 4.340 -0.005 0.000 0.334 357 R C -2.513 173.800 176.300 0.021 0.000 1.013 357 R CA -1.693 54.417 56.100 0.017 0.000 0.858 357 R CB 0.921 31.223 30.300 0.004 0.000 1.094 357 R HN -0.181 nan 8.270 nan 0.000 0.457 358 P HA -0.083 nan 4.420 nan 0.000 0.267 358 P C -0.603 176.712 177.300 0.025 0.000 1.201 358 P CA 0.646 63.778 63.100 0.052 0.000 0.775 358 P CB 0.568 32.303 31.700 0.059 0.000 0.854 359 M N 1.489 121.106 119.600 0.029 0.000 2.180 359 M HA 0.356 4.833 4.480 -0.005 0.000 0.350 359 M C 0.303 176.592 176.300 -0.019 0.000 1.125 359 M CA -0.700 54.551 55.300 -0.081 0.000 1.031 359 M CB 0.910 33.317 32.600 -0.323 0.000 1.623 359 M HN 0.129 nan 8.290 nan 0.000 0.451 360 L N 4.338 125.542 121.223 -0.032 0.000 2.416 360 L HA 0.273 4.610 4.340 -0.005 0.000 0.272 360 L C -1.723 175.188 176.870 0.069 0.000 1.161 360 L CA -1.170 53.690 54.840 0.034 0.000 0.845 360 L CB -1.165 40.906 42.059 0.020 0.000 1.119 360 L HN 0.580 nan 8.230 nan 0.000 0.464 361 P HA -0.160 nan 4.420 nan 0.000 0.219 361 P C 1.774 179.236 177.300 0.270 0.000 1.144 361 P CA 2.232 65.531 63.100 0.331 0.000 0.806 361 P CB 0.154 31.981 31.700 0.213 0.000 0.771 362 Q N 0.100 119.991 119.800 0.153 0.000 2.311 362 Q HA -0.135 4.202 4.340 -0.005 0.000 0.203 362 Q C 2.014 178.074 176.000 0.101 0.000 0.954 362 Q CA 1.257 57.146 55.803 0.144 0.000 0.885 362 Q CB -1.335 27.491 28.738 0.146 0.000 0.963 362 Q HN 0.386 nan 8.270 nan 0.000 0.471 363 E N -0.842 119.357 120.200 -0.000 0.000 2.153 363 E HA -0.134 4.214 4.350 -0.005 0.000 0.194 363 E C 1.586 178.111 176.600 -0.125 0.000 0.988 363 E CA 1.058 57.405 56.400 -0.089 0.000 0.811 363 E CB -0.159 29.425 29.700 -0.192 0.000 0.746 363 E HN 0.879 nan 8.360 nan 0.000 0.466 364 Y N 0.093 120.437 120.300 0.073 0.000 2.224 364 Y HA -0.203 4.344 4.550 -0.005 0.000 0.289 364 Y C 2.343 178.248 175.900 0.008 0.000 1.146 364 Y CA 0.841 58.963 58.100 0.037 0.000 1.182 364 Y CB -0.192 38.298 38.460 0.049 0.000 0.983 364 Y HN 0.079 nan 8.280 nan 0.000 0.524 365 A N -0.059 122.860 122.820 0.165 0.000 2.067 365 A HA -0.010 4.307 4.320 -0.005 0.000 0.219 365 A C 1.324 178.954 177.584 0.076 0.000 1.158 365 A CA 0.549 52.654 52.037 0.113 0.000 0.661 365 A CB -1.025 18.047 19.000 0.120 0.000 0.801 365 A HN 0.110 nan 8.150 nan 0.000 0.452 366 V N 0.000 119.953 119.914 0.065 0.000 2.409 366 V HA 0.000 4.117 4.120 -0.005 0.000 0.244 366 V CA 0.000 62.328 62.300 0.046 0.000 1.235 366 V CB 0.000 31.860 31.823 0.062 0.000 1.184 366 V HN 0.000 nan 8.190 nan 0.000 0.556