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 2nlx_1_B DATA FIRST_RESID 1 DATA SEQUENCE MYIGIDLGTS GVKVILLNEQ GEVVAAQTEK LTVSRPHPLW SEQDPEQWWQ DATA SEQUENCE ATDRAMKALG DQHSLQDVKA LGIAGQMHGA TLLDAQQRVL RPAILWNDGR DATA SEQUENCE CAQECTLLEA RVPQSRVITG NLMMPGFTAP KLLWVQRHEP EIFRQIDKVL DATA SEQUENCE LPKDYLRLRM TGEFASDMSD AAGTMWLDVA KRDWSDVMLQ ACDLSRDQMP DATA SEQUENCE ALYEGSEITG ALLPEVAKAW GMATVPVVAG GGDNAAGAVG VGMVDANQAM DATA SEQUENCE LSLGTSGVYF AVSEGFLSKP ESAVHSFCHA LPQRWHLMSV MLSAASCLDW DATA SEQUENCE AAKLTGLSNV PALIAAAQQA DESAEPVWFL PYLXXXXXXX XXXQAKGVFF DATA SEQUENCE GLTHQHGPNE LARAVLEGVG YALADGMDVV HACGIKPQSV TLIGGGARSE DATA SEQUENCE YWRQMLADIS GQQLDYRTGG DVGPALGAAR LAQIAANPEK SLIELLPQLP DATA SEQUENCE LEQSHLPDAQ RYAAYQPRRE TFRRLYQQLL PL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.781 176.300 -0.866 0.000 1.140 1 M CA 0.000 55.008 55.300 -0.487 0.000 0.988 1 M CB 0.000 32.457 32.600 -0.238 0.000 1.302 2 Y N 1.556 121.840 120.300 -0.026 0.000 2.553 2 Y HA 0.721 5.276 4.550 0.008 0.000 0.347 2 Y C -0.193 175.688 175.900 -0.031 0.000 1.019 2 Y CA -1.034 57.051 58.100 -0.024 0.000 1.032 2 Y CB 1.661 40.104 38.460 -0.028 0.000 1.284 2 Y HN 0.455 nan 8.280 nan 0.000 0.466 3 I N 1.671 122.306 120.570 0.109 0.000 2.460 3 I HA 0.631 4.806 4.170 0.008 0.000 0.298 3 I C 0.223 176.357 176.117 0.029 0.000 0.989 3 I CA -0.490 60.831 61.300 0.034 0.000 1.173 3 I CB 1.572 39.572 38.000 -0.001 0.000 1.338 3 I HN 0.816 nan 8.210 nan 0.000 0.456 4 G N 6.779 115.572 108.800 -0.011 0.000 2.683 4 G HA2 0.697 4.661 3.960 0.008 0.000 0.299 4 G HA3 0.697 4.661 3.960 0.008 0.000 0.299 4 G C -1.023 173.846 174.900 -0.051 0.000 1.432 4 G CA -0.302 44.782 45.100 -0.025 0.000 0.978 4 G HN 0.413 nan 8.290 nan 0.000 0.513 5 I N 1.691 122.232 120.570 -0.048 0.000 2.441 5 I HA 0.367 4.542 4.170 0.008 0.000 0.295 5 I C -1.170 174.911 176.117 -0.060 0.000 0.994 5 I CA -0.756 60.507 61.300 -0.061 0.000 1.144 5 I CB 2.472 40.444 38.000 -0.046 0.000 1.314 5 I HN 0.356 nan 8.210 nan 0.000 0.445 6 D N 6.635 126.994 120.400 -0.069 0.000 2.549 6 D HA 0.275 4.920 4.640 0.008 0.000 0.251 6 D C -1.083 175.166 176.300 -0.086 0.000 1.153 6 D CA -0.340 53.612 54.000 -0.080 0.000 0.861 6 D CB 1.654 42.405 40.800 -0.081 0.000 1.207 6 D HN 0.390 nan 8.370 nan 0.000 0.543 7 L N 4.532 125.686 121.223 -0.114 0.000 2.358 7 L HA 0.532 4.877 4.340 0.008 0.000 0.274 7 L C 0.747 177.522 176.870 -0.158 0.000 1.136 7 L CA -0.370 54.378 54.840 -0.153 0.000 0.970 7 L CB 0.007 41.913 42.059 -0.255 0.000 1.314 7 L HN 0.513 nan 8.230 nan 0.000 0.427 8 G N 1.762 110.507 108.800 -0.092 0.000 2.494 8 G HA2 0.199 4.164 3.960 0.008 0.000 0.270 8 G HA3 0.199 4.164 3.960 0.008 0.000 0.270 8 G C 0.587 175.490 174.900 0.006 0.000 1.423 8 G CA 0.123 45.186 45.100 -0.061 0.000 1.055 8 G HN 0.511 nan 8.290 nan 0.000 0.536 9 T N -0.520 114.085 114.554 0.084 0.000 3.042 9 T HA 0.049 4.404 4.350 0.008 0.000 0.245 9 T C 2.632 177.435 174.700 0.171 0.000 1.029 9 T CA 0.983 63.206 62.100 0.204 0.000 1.120 9 T CB 0.082 69.169 68.868 0.365 0.000 0.917 9 T HN 0.268 nan 8.240 nan 0.000 0.467 10 S N 0.342 116.115 115.700 0.121 0.000 2.461 10 S HA 0.424 4.899 4.470 0.008 0.000 0.228 10 S C 1.073 175.723 174.600 0.084 0.000 1.005 10 S CA 0.612 58.871 58.200 0.099 0.000 0.942 10 S CB 0.092 63.337 63.200 0.075 0.000 0.776 10 S HN 0.741 nan 8.310 nan 0.000 0.514 11 G N -0.140 108.703 108.800 0.071 0.000 2.321 11 G HA2 0.391 4.356 3.960 0.008 0.000 0.296 11 G HA3 0.391 4.356 3.960 0.008 0.000 0.296 11 G C -1.964 172.953 174.900 0.027 0.000 1.287 11 G CA -0.215 44.921 45.100 0.060 0.000 0.846 11 G HN 0.239 nan 8.290 nan 0.000 0.508 12 V N -0.134 119.788 119.914 0.014 0.000 2.555 12 V HA 0.872 4.997 4.120 0.008 0.000 0.302 12 V C -0.475 175.595 176.094 -0.039 0.000 1.038 12 V CA -0.763 61.526 62.300 -0.018 0.000 0.887 12 V CB 1.524 33.339 31.823 -0.013 0.000 0.991 12 V HN 0.907 nan 8.190 nan 0.000 0.434 13 K N 5.135 125.504 120.400 -0.053 0.000 2.292 13 K HA 0.758 5.083 4.320 0.008 0.000 0.257 13 K C -1.239 175.314 176.600 -0.078 0.000 0.940 13 K CA -0.661 55.590 56.287 -0.060 0.000 0.811 13 K CB 1.992 34.461 32.500 -0.051 0.000 1.120 13 K HN 0.842 nan 8.250 nan 0.000 0.428 14 V N 3.648 123.506 119.914 -0.093 0.000 2.540 14 V HA 0.683 4.808 4.120 0.008 0.000 0.302 14 V C -0.401 175.640 176.094 -0.089 0.000 1.035 14 V CA -0.819 61.414 62.300 -0.113 0.000 0.873 14 V CB 1.044 32.760 31.823 -0.180 0.000 0.992 14 V HN 0.802 nan 8.190 nan 0.000 0.428 15 I N 2.285 122.812 120.570 -0.071 0.000 2.957 15 I HA 0.717 4.891 4.170 0.008 0.000 0.310 15 I C -1.319 174.778 176.117 -0.033 0.000 1.063 15 I CA -1.181 60.091 61.300 -0.048 0.000 1.033 15 I CB 2.471 40.448 38.000 -0.037 0.000 1.230 15 I HN 0.706 nan 8.210 nan 0.000 0.447 16 L N 5.012 126.224 121.223 -0.018 0.000 2.342 16 L HA 0.533 4.878 4.340 0.008 0.000 0.276 16 L C -1.216 175.663 176.870 0.014 0.000 0.997 16 L CA -0.677 54.161 54.840 -0.004 0.000 0.838 16 L CB 1.543 43.595 42.059 -0.012 0.000 1.224 16 L HN 0.633 nan 8.230 nan 0.000 0.416 17 L N 4.919 126.182 121.223 0.066 0.000 2.289 17 L HA 0.364 4.709 4.340 0.008 0.000 0.285 17 L C 0.341 177.290 176.870 0.130 0.000 1.049 17 L CA -0.432 54.467 54.840 0.099 0.000 0.804 17 L CB 1.659 43.802 42.059 0.140 0.000 1.195 17 L HN 0.711 nan 8.230 nan 0.000 0.428 18 N N 1.226 119.968 118.700 0.070 0.000 2.381 18 N HA 0.036 4.781 4.740 0.008 0.000 0.254 18 N C 0.192 175.785 175.510 0.139 0.000 1.264 18 N CA -0.767 52.312 53.050 0.050 0.000 0.942 18 N CB 1.035 39.521 38.487 -0.001 0.000 1.190 18 N HN 0.456 nan 8.380 nan 0.000 0.495 19 E N -0.755 119.510 120.200 0.109 0.000 2.284 19 E HA -0.215 4.140 4.350 0.008 0.000 0.200 19 E C 0.542 177.225 176.600 0.138 0.000 1.008 19 E CA 1.321 57.830 56.400 0.183 0.000 0.829 19 E CB -0.121 29.624 29.700 0.076 0.000 0.744 19 E HN 0.604 nan 8.360 nan 0.000 0.491 20 Q N -1.091 118.750 119.800 0.068 0.000 2.186 20 Q HA 0.308 4.653 4.340 0.008 0.000 0.241 20 Q C 0.826 176.825 176.000 -0.001 0.000 0.849 20 Q CA 0.347 56.164 55.803 0.023 0.000 1.053 20 Q CB 0.417 29.159 28.738 0.007 0.000 1.146 20 Q HN 0.198 nan 8.270 nan 0.000 0.475 21 G N 0.943 109.744 108.800 0.001 0.000 2.162 21 G HA2 -0.295 3.670 3.960 0.008 0.000 0.260 21 G HA3 -0.295 3.670 3.960 0.008 0.000 0.260 21 G C -0.285 174.601 174.900 -0.023 0.000 0.976 21 G CA 0.397 45.477 45.100 -0.033 0.000 0.655 21 G HN 0.466 nan 8.290 nan 0.000 0.533 22 E N -0.518 119.678 120.200 -0.007 0.000 2.248 22 E HA 0.519 4.874 4.350 0.008 0.000 0.272 22 E C 0.045 176.638 176.600 -0.011 0.000 1.008 22 E CA -0.911 55.479 56.400 -0.016 0.000 0.856 22 E CB 2.135 31.825 29.700 -0.018 0.000 1.120 22 E HN 0.079 nan 8.360 nan 0.000 0.397 23 V N 3.375 123.277 119.914 -0.019 0.000 2.372 23 V HA -0.020 4.105 4.120 0.008 0.000 0.261 23 V C 0.905 176.985 176.094 -0.024 0.000 1.055 23 V CA 0.008 62.297 62.300 -0.019 0.000 0.930 23 V CB 0.821 32.631 31.823 -0.023 0.000 1.031 23 V HN 0.623 nan 8.190 nan 0.000 0.479 24 V N 4.018 123.914 119.914 -0.030 0.000 2.649 24 V HA 0.261 4.386 4.120 0.008 0.000 0.248 24 V C 1.011 177.089 176.094 -0.027 0.000 1.054 24 V CA 1.681 63.948 62.300 -0.055 0.000 1.073 24 V CB 0.333 32.096 31.823 -0.100 0.000 0.699 24 V HN 0.933 nan 8.190 nan 0.000 0.463 25 A N -1.264 121.555 122.820 -0.001 0.000 2.609 25 A HA 0.925 5.250 4.320 0.008 0.000 0.291 25 A C -1.085 176.500 177.584 0.002 0.000 1.096 25 A CA 0.054 52.111 52.037 0.033 0.000 0.684 25 A CB 1.763 20.823 19.000 0.100 0.000 1.282 25 A HN 0.657 nan 8.150 nan 0.000 0.412 26 A N -0.037 122.780 122.820 -0.005 0.000 2.574 26 A HA 0.805 5.129 4.320 0.008 0.000 0.297 26 A C -1.272 176.289 177.584 -0.038 0.000 1.062 26 A CA -0.367 51.653 52.037 -0.028 0.000 0.686 26 A CB 1.978 20.963 19.000 -0.025 0.000 1.285 26 A HN 1.205 nan 8.150 nan 0.000 0.403 27 Q N 0.022 119.789 119.800 -0.056 0.000 2.284 27 Q HA 0.703 5.048 4.340 0.008 0.000 0.269 27 Q C -1.312 174.651 176.000 -0.062 0.000 1.026 27 Q CA 0.020 55.785 55.803 -0.064 0.000 0.831 27 Q CB 2.319 31.002 28.738 -0.091 0.000 1.322 27 Q HN 0.765 nan 8.270 nan 0.000 0.419 28 T N 3.004 117.529 114.554 -0.048 0.000 2.861 28 T HA 0.627 4.981 4.350 0.008 0.000 0.287 28 T C -1.247 173.435 174.700 -0.031 0.000 1.003 28 T CA -0.748 61.330 62.100 -0.037 0.000 0.977 28 T CB 1.196 70.049 68.868 -0.024 0.000 0.996 28 T HN 0.359 nan 8.240 nan 0.000 0.448 29 E N 2.375 122.561 120.200 -0.022 0.000 2.244 29 E HA 0.265 4.620 4.350 0.008 0.000 0.260 29 E C -0.463 176.147 176.600 0.017 0.000 0.884 29 E CA -0.680 55.714 56.400 -0.009 0.000 0.777 29 E CB 1.943 31.630 29.700 -0.021 0.000 1.197 29 E HN 0.476 nan 8.360 nan 0.000 0.416 30 K N 1.565 121.979 120.400 0.022 0.000 2.440 30 K HA 0.151 4.476 4.320 0.008 0.000 0.270 30 K C -0.232 176.405 176.600 0.062 0.000 0.980 30 K CA -0.034 56.277 56.287 0.040 0.000 0.953 30 K CB 0.466 32.987 32.500 0.034 0.000 0.925 30 K HN 0.165 nan 8.250 nan 0.000 0.497 31 L N 1.603 122.875 121.223 0.082 0.000 2.438 31 L HA 0.210 4.554 4.340 0.008 0.000 0.270 31 L C -0.263 176.670 176.870 0.106 0.000 0.972 31 L CA -0.176 54.734 54.840 0.116 0.000 0.831 31 L CB 2.034 44.195 42.059 0.171 0.000 1.273 31 L HN 0.795 nan 8.230 nan 0.000 0.405 32 T N 0.802 115.411 114.554 0.091 0.000 2.927 32 T HA 0.825 5.180 4.350 0.008 0.000 0.281 32 T C -0.141 174.608 174.700 0.083 0.000 0.998 32 T CA -0.740 61.404 62.100 0.074 0.000 1.019 32 T CB 1.669 70.567 68.868 0.049 0.000 1.061 32 T HN 0.250 nan 8.240 nan 0.000 0.518 33 V N 1.087 121.041 119.914 0.067 0.000 2.881 33 V HA 0.715 4.840 4.120 0.008 0.000 0.316 33 V C 0.114 176.227 176.094 0.033 0.000 1.070 33 V CA -0.860 61.477 62.300 0.061 0.000 0.976 33 V CB 1.991 33.847 31.823 0.056 0.000 1.038 33 V HN 1.104 nan 8.190 nan 0.000 0.446 34 S N 3.258 118.973 115.700 0.026 0.000 2.552 34 S HA 0.562 5.037 4.470 0.008 0.000 0.314 34 S C -0.448 174.166 174.600 0.024 0.000 1.099 34 S CA -0.808 57.400 58.200 0.013 0.000 1.070 34 S CB 0.580 63.784 63.200 0.007 0.000 0.998 34 S HN 0.681 nan 8.310 nan 0.000 0.474 35 R N 4.835 125.338 120.500 0.004 0.000 2.505 35 R HA 0.275 4.620 4.340 0.008 0.000 0.284 35 R C -2.114 174.141 176.300 -0.076 0.000 1.324 35 R CA -1.591 54.515 56.100 0.010 0.000 1.432 35 R CB 0.726 31.028 30.300 0.003 0.000 1.107 35 R HN 0.474 nan 8.270 nan 0.000 0.587 36 P HA -0.111 nan 4.420 nan 0.000 0.218 36 P C -0.240 176.542 177.300 -0.864 0.000 1.149 36 P CA 1.353 64.155 63.100 -0.496 0.000 0.817 36 P CB 0.306 31.688 31.700 -0.530 0.000 0.785 37 H N -4.363 114.411 119.070 -0.494 0.000 2.990 37 H HA 0.352 4.913 4.556 0.008 0.000 0.343 37 H C -2.641 172.523 175.328 -0.274 0.000 1.270 37 H CA -2.452 53.257 56.048 -0.565 0.000 1.118 37 H CB 0.139 29.224 29.762 -1.129 0.000 1.861 37 H HN -0.302 nan 8.280 nan 0.000 0.544 38 P HA 0.103 nan 4.420 nan 0.000 0.268 38 P C 0.506 177.887 177.300 0.136 0.000 1.204 38 P CA 0.405 63.525 63.100 0.034 0.000 0.768 38 P CB 0.471 32.178 31.700 0.012 0.000 0.842 39 L N -1.899 119.395 121.223 0.119 0.000 4.800 39 L HA -0.211 4.133 4.340 0.008 0.000 0.400 39 L C -0.153 176.817 176.870 0.165 0.000 0.857 39 L CA 0.561 55.471 54.840 0.117 0.000 1.908 39 L CB -1.543 40.581 42.059 0.108 0.000 1.598 39 L HN 0.437 nan 8.230 nan 0.000 0.593 40 W N 1.150 122.385 121.300 -0.108 0.000 2.315 40 W HA 0.614 5.278 4.660 0.008 0.000 0.316 40 W C 0.735 177.172 176.519 -0.137 0.000 1.211 40 W CA -0.330 56.932 57.345 -0.139 0.000 1.201 40 W CB 1.348 30.746 29.460 -0.103 0.000 1.184 40 W HN -0.099 nan 8.180 nan 0.000 0.544 41 S N 2.869 118.573 115.700 0.007 0.000 2.721 41 S HA 0.426 4.901 4.470 0.008 0.000 0.264 41 S C -0.909 173.666 174.600 -0.043 0.000 1.161 41 S CA -0.620 57.552 58.200 -0.046 0.000 1.113 41 S CB -0.035 63.062 63.200 -0.172 0.000 1.079 41 S HN 0.494 nan 8.310 nan 0.000 0.479 42 E N 2.425 122.633 120.200 0.014 0.000 2.359 42 E HA 0.568 4.923 4.350 0.008 0.000 0.266 42 E C -1.027 175.583 176.600 0.017 0.000 0.920 42 E CA -0.969 55.437 56.400 0.009 0.000 0.788 42 E CB 2.147 31.858 29.700 0.018 0.000 1.279 42 E HN 0.533 nan 8.360 nan 0.000 0.438 43 Q N 0.525 120.308 119.800 -0.029 0.000 2.379 43 Q HA 0.195 4.540 4.340 0.008 0.000 0.278 43 Q C -1.845 173.930 176.000 -0.376 0.000 1.068 43 Q CA -0.781 54.957 55.803 -0.109 0.000 0.816 43 Q CB 2.348 31.140 28.738 0.090 0.000 1.387 43 Q HN 0.346 nan 8.270 nan 0.000 0.413 44 D N 2.278 122.448 120.400 -0.384 0.000 2.316 44 D HA 0.184 4.829 4.640 0.008 0.000 0.245 44 D C -1.879 173.961 176.300 -0.766 0.000 1.171 44 D CA -2.012 51.731 54.000 -0.428 0.000 0.856 44 D CB 1.581 42.254 40.800 -0.211 0.000 1.090 44 D HN 0.178 nan 8.370 nan 0.000 0.476 45 P HA -0.170 nan 4.420 nan 0.000 0.217 45 P C 0.898 178.008 177.300 -0.317 0.000 1.148 45 P CA 0.944 63.317 63.100 -1.212 0.000 0.828 45 P CB 0.380 31.323 31.700 -1.262 0.000 0.783 46 E N -0.626 119.497 120.200 -0.129 0.000 2.347 46 E HA -0.166 4.189 4.350 0.008 0.000 0.196 46 E C 1.971 178.682 176.600 0.186 0.000 1.008 46 E CA 0.965 57.462 56.400 0.163 0.000 0.852 46 E CB -0.623 29.137 29.700 0.099 0.000 0.783 46 E HN 0.241 nan 8.360 nan 0.000 0.505 47 Q N -1.308 118.510 119.800 0.031 0.000 2.302 47 Q HA -0.054 4.291 4.340 0.008 0.000 0.202 47 Q C 1.086 177.233 176.000 0.245 0.000 0.936 47 Q CA 0.615 56.468 55.803 0.084 0.000 0.886 47 Q CB 0.021 28.755 28.738 -0.006 0.000 0.986 47 Q HN 0.377 nan 8.270 nan 0.000 0.487 48 W N 0.050 121.467 121.300 0.194 0.000 2.379 48 W HA -0.208 4.457 4.660 0.008 0.000 0.307 48 W C 2.023 178.714 176.519 0.287 0.000 1.200 48 W CA 0.184 57.661 57.345 0.220 0.000 1.297 48 W CB -1.413 28.207 29.460 0.267 0.000 1.140 48 W HN 0.387 nan 8.180 nan 0.000 0.507 49 W N 1.431 123.009 121.300 0.462 0.000 2.354 49 W HA -0.243 4.421 4.660 0.008 0.000 0.315 49 W C 1.897 178.560 176.519 0.240 0.000 1.206 49 W CA 1.568 59.113 57.345 0.334 0.000 1.290 49 W CB -0.347 29.302 29.460 0.314 0.000 1.152 49 W HN -0.087 nan 8.180 nan 0.000 0.489 50 Q N 0.494 120.359 119.800 0.110 0.000 2.135 50 Q HA -0.181 4.164 4.340 0.008 0.000 0.204 50 Q C 2.379 178.336 176.000 -0.072 0.000 0.981 50 Q CA 2.061 57.838 55.803 -0.045 0.000 0.856 50 Q CB -1.116 27.667 28.738 0.076 0.000 0.902 50 Q HN 0.431 nan 8.270 nan 0.000 0.425 51 A N 0.244 123.079 122.820 0.024 0.000 1.873 51 A HA -0.125 4.200 4.320 0.008 0.000 0.215 51 A C 2.360 179.905 177.584 -0.064 0.000 1.186 51 A CA 1.852 53.896 52.037 0.012 0.000 0.616 51 A CB -0.780 18.274 19.000 0.091 0.000 0.823 51 A HN 0.383 nan 8.150 nan 0.000 0.442 52 T N -0.044 114.471 114.554 -0.065 0.000 2.622 52 T HA -0.187 4.168 4.350 0.008 0.000 0.266 52 T C 1.687 176.205 174.700 -0.303 0.000 1.047 52 T CA 1.848 63.861 62.100 -0.146 0.000 1.159 52 T CB -0.545 68.300 68.868 -0.038 0.000 0.863 52 T HN 0.686 nan 8.240 nan 0.000 0.422 53 D N 0.452 120.596 120.400 -0.427 0.000 2.221 53 D HA -0.109 4.536 4.640 0.008 0.000 0.204 53 D C 2.316 178.507 176.300 -0.182 0.000 0.982 53 D CA 0.995 54.811 54.000 -0.306 0.000 0.857 53 D CB 0.046 40.509 40.800 -0.561 0.000 0.934 53 D HN 0.264 nan 8.370 nan 0.000 0.475 54 R N -0.284 120.111 120.500 -0.176 0.000 2.075 54 R HA 0.125 4.470 4.340 0.008 0.000 0.226 54 R C 2.413 178.621 176.300 -0.153 0.000 1.114 54 R CA 0.912 56.942 56.100 -0.118 0.000 0.972 54 R CB -0.275 29.979 30.300 -0.077 0.000 0.869 54 R HN 0.162 nan 8.270 nan 0.000 0.437 55 A N 1.456 124.166 122.820 -0.182 0.000 1.865 55 A HA -0.201 4.124 4.320 0.008 0.000 0.217 55 A C 2.165 179.578 177.584 -0.284 0.000 1.191 55 A CA 1.424 53.344 52.037 -0.194 0.000 0.623 55 A CB -0.369 18.523 19.000 -0.181 0.000 0.826 55 A HN 0.099 nan 8.150 nan 0.000 0.444 56 M N -0.255 119.059 119.600 -0.476 0.000 2.065 56 M HA -0.158 4.327 4.480 0.008 0.000 0.259 56 M C 1.967 177.989 176.300 -0.464 0.000 1.071 56 M CA 1.888 56.758 55.300 -0.717 0.000 1.109 56 M CB -1.361 30.214 32.600 -1.708 0.000 1.313 56 M HN 0.399 nan 8.290 nan 0.000 0.408 57 K N -0.208 119.995 120.400 -0.327 0.000 2.280 57 K HA -0.056 4.269 4.320 0.008 0.000 0.202 57 K C 1.953 178.493 176.600 -0.100 0.000 1.047 57 K CA 1.209 57.429 56.287 -0.111 0.000 0.942 57 K CB -0.194 32.303 32.500 -0.004 0.000 0.739 57 K HN 0.338 nan 8.250 nan 0.000 0.457 58 A N 0.736 123.479 122.820 -0.129 0.000 1.975 58 A HA -0.045 4.280 4.320 0.008 0.000 0.215 58 A C 1.970 179.491 177.584 -0.105 0.000 1.170 58 A CA 0.599 52.576 52.037 -0.100 0.000 0.656 58 A CB -0.184 18.760 19.000 -0.094 0.000 0.821 58 A HN 0.193 nan 8.150 nan 0.000 0.449 59 L N -0.088 121.054 121.223 -0.134 0.000 2.023 59 L HA 0.117 4.462 4.340 0.008 0.000 0.205 59 L C 2.354 179.175 176.870 -0.083 0.000 1.073 59 L CA 2.249 57.022 54.840 -0.111 0.000 0.745 59 L CB -0.946 41.026 42.059 -0.145 0.000 0.900 59 L HN 0.269 nan 8.230 nan 0.000 0.435 60 G N -1.436 107.308 108.800 -0.092 0.000 2.471 60 G HA2 -0.305 3.660 3.960 0.008 0.000 0.219 60 G HA3 -0.305 3.660 3.960 0.008 0.000 0.219 60 G C 1.255 176.130 174.900 -0.043 0.000 1.125 60 G CA 0.869 45.944 45.100 -0.042 0.000 0.775 60 G HN 0.484 nan 8.290 nan 0.000 0.548 61 D N -0.009 120.353 120.400 -0.064 0.000 2.144 61 D HA -0.057 4.588 4.640 0.008 0.000 0.200 61 D C 2.506 178.736 176.300 -0.117 0.000 0.978 61 D CA 0.935 54.894 54.000 -0.068 0.000 0.833 61 D CB -0.051 40.713 40.800 -0.061 0.000 0.961 61 D HN 0.386 nan 8.370 nan 0.000 0.470 62 Q N -1.205 118.498 119.800 -0.162 0.000 2.020 62 Q HA -0.016 4.329 4.340 0.008 0.000 0.198 62 Q C 0.180 175.834 176.000 -0.575 0.000 0.974 62 Q CA 0.994 56.601 55.803 -0.327 0.000 0.829 62 Q CB 0.253 28.829 28.738 -0.270 0.000 0.894 62 Q HN 0.385 nan 8.270 nan 0.000 0.433 63 H N -1.296 117.755 119.070 -0.033 0.000 2.759 63 H HA 0.195 4.755 4.556 0.008 0.000 0.354 63 H C -1.132 174.178 175.328 -0.029 0.000 1.074 63 H CA -0.612 55.419 56.048 -0.029 0.000 1.226 63 H CB 1.853 31.597 29.762 -0.031 0.000 1.648 63 H HN 0.030 nan 8.280 nan 0.000 0.529 64 S N 2.703 118.458 115.700 0.092 0.000 2.525 64 S HA 0.053 4.528 4.470 0.008 0.000 0.285 64 S C 1.125 175.748 174.600 0.038 0.000 1.283 64 S CA -0.577 57.652 58.200 0.047 0.000 1.072 64 S CB -0.068 63.153 63.200 0.036 0.000 0.867 64 S HN 0.509 nan 8.310 nan 0.000 0.492 65 L N 4.891 126.131 121.223 0.028 0.000 2.672 65 L HA 0.126 4.471 4.340 0.008 0.000 0.236 65 L C 1.679 178.556 176.870 0.012 0.000 1.186 65 L CA -0.164 54.685 54.840 0.015 0.000 0.977 65 L CB -0.391 41.682 42.059 0.023 0.000 1.203 65 L HN 0.632 nan 8.230 nan 0.000 0.448 66 Q N 0.179 119.985 119.800 0.011 0.000 2.541 66 Q HA -0.098 4.247 4.340 0.008 0.000 0.215 66 Q C 0.498 176.486 176.000 -0.020 0.000 0.977 66 Q CA 0.904 56.709 55.803 0.003 0.000 0.934 66 Q CB 0.154 28.895 28.738 0.006 0.000 0.988 66 Q HN 0.536 nan 8.270 nan 0.000 0.521 67 D N -0.757 119.618 120.400 -0.042 0.000 2.500 67 D HA 0.069 4.714 4.640 0.008 0.000 0.217 67 D C -0.042 176.179 176.300 -0.132 0.000 1.159 67 D CA -0.049 53.905 54.000 -0.078 0.000 0.828 67 D CB 1.224 41.975 40.800 -0.081 0.000 1.039 67 D HN -0.080 nan 8.370 nan 0.000 0.512 68 V N 1.925 121.771 119.914 -0.113 0.000 2.599 68 V HA -0.059 4.065 4.120 0.008 0.000 0.300 68 V C 1.510 177.512 176.094 -0.154 0.000 1.034 68 V CA 0.792 62.996 62.300 -0.160 0.000 1.115 68 V CB 1.232 33.015 31.823 -0.067 0.000 0.934 68 V HN -0.011 nan 8.190 nan 0.000 0.485 69 K N 3.301 123.545 120.400 -0.259 0.000 2.308 69 K HA 0.485 4.810 4.320 0.008 0.000 0.197 69 K C 0.422 177.015 176.600 -0.012 0.000 1.049 69 K CA 0.845 57.048 56.287 -0.141 0.000 0.991 69 K CB 0.641 33.030 32.500 -0.186 0.000 0.836 69 K HN 0.763 nan 8.250 nan 0.000 0.500 70 A N 1.045 123.894 122.820 0.049 0.000 2.606 70 A HA 0.666 4.990 4.320 0.008 0.000 0.293 70 A C -2.041 175.617 177.584 0.123 0.000 1.082 70 A CA -0.723 51.383 52.037 0.114 0.000 0.685 70 A CB 1.393 20.496 19.000 0.173 0.000 1.284 70 A HN 0.127 nan 8.150 nan 0.000 0.408 71 L N 0.817 122.092 121.223 0.087 0.000 2.431 71 L HA 0.879 5.224 4.340 0.008 0.000 0.266 71 L C -0.106 176.790 176.870 0.044 0.000 0.978 71 L CA -0.307 54.578 54.840 0.075 0.000 0.822 71 L CB 2.158 44.273 42.059 0.094 0.000 1.310 71 L HN 1.093 nan 8.230 nan 0.000 0.409 72 G N 4.944 113.759 108.800 0.027 0.000 2.519 72 G HA2 0.683 4.648 3.960 0.008 0.000 0.307 72 G HA3 0.683 4.648 3.960 0.008 0.000 0.307 72 G C -1.258 173.638 174.900 -0.007 0.000 1.266 72 G CA -0.583 44.516 45.100 -0.001 0.000 0.970 72 G HN 0.605 nan 8.290 nan 0.000 0.481 73 I N -1.610 118.949 120.570 -0.017 0.000 2.828 73 I HA 0.924 5.099 4.170 0.008 0.000 0.302 73 I C -0.486 175.604 176.117 -0.045 0.000 1.101 73 I CA -1.631 59.655 61.300 -0.023 0.000 1.031 73 I CB 1.445 39.443 38.000 -0.002 0.000 1.231 73 I HN 0.829 nan 8.210 nan 0.000 0.427 74 A N 2.369 125.150 122.820 -0.063 0.000 2.539 74 A HA 1.009 5.333 4.320 0.008 0.000 0.296 74 A C -0.464 177.053 177.584 -0.112 0.000 1.073 74 A CA -0.089 51.897 52.037 -0.086 0.000 0.700 74 A CB 1.823 20.769 19.000 -0.090 0.000 1.296 74 A HN 1.513 nan 8.150 nan 0.000 0.405 75 G N -0.334 108.380 108.800 -0.143 0.000 2.660 75 G HA2 0.569 4.533 3.960 0.008 0.000 0.290 75 G HA3 0.569 4.533 3.960 0.008 0.000 0.290 75 G C -1.058 173.710 174.900 -0.220 0.000 1.432 75 G CA -0.466 44.523 45.100 -0.185 0.000 0.807 75 G HN 1.226 nan 8.290 nan 0.000 0.485 76 Q N 0.144 119.803 119.800 -0.234 0.000 2.269 76 Q HA 0.280 4.625 4.340 0.008 0.000 0.300 76 Q C 0.279 176.138 176.000 -0.235 0.000 1.070 76 Q CA 0.435 56.086 55.803 -0.254 0.000 0.957 76 Q CB 0.342 29.000 28.738 -0.133 0.000 1.131 76 Q HN 0.447 nan 8.270 nan 0.000 0.377 77 M N 2.646 122.033 119.600 -0.355 0.000 2.228 77 M HA 0.104 4.589 4.480 0.008 0.000 0.326 77 M C 0.083 176.204 176.300 -0.297 0.000 1.122 77 M CA -0.323 54.662 55.300 -0.524 0.000 1.161 77 M CB 0.463 32.478 32.600 -0.974 0.000 1.437 77 M HN 0.836 nan 8.290 nan 0.000 0.465 78 H N -2.390 116.713 119.070 0.055 0.000 3.641 78 H HA -0.115 4.445 4.556 0.008 0.000 0.193 78 H C 0.465 175.894 175.328 0.169 0.000 1.013 78 H CA 0.821 56.947 56.048 0.128 0.000 1.212 78 H CB -2.122 27.799 29.762 0.264 0.000 1.089 78 H HN 0.941 nan 8.280 nan 0.000 0.339 79 G N 0.632 109.587 108.800 0.257 0.000 2.380 79 G HA2 0.529 4.493 3.960 0.008 0.000 0.262 79 G HA3 0.529 4.493 3.960 0.008 0.000 0.262 79 G C 0.217 175.269 174.900 0.253 0.000 1.243 79 G CA 0.292 45.554 45.100 0.271 0.000 0.865 79 G HN 0.568 nan 8.290 nan 0.000 0.513 80 A N 2.716 125.670 122.820 0.224 0.000 2.289 80 A HA 0.698 5.023 4.320 0.008 0.000 0.298 80 A C 0.361 178.080 177.584 0.226 0.000 1.208 80 A CA -0.395 51.778 52.037 0.227 0.000 0.845 80 A CB 0.745 19.860 19.000 0.192 0.000 1.125 80 A HN 0.589 nan 8.150 nan 0.000 0.517 81 T N 4.311 119.014 114.554 0.248 0.000 2.912 81 T HA 0.426 4.781 4.350 0.008 0.000 0.326 81 T C -0.314 174.484 174.700 0.164 0.000 1.080 81 T CA -0.152 62.061 62.100 0.188 0.000 1.000 81 T CB 0.159 69.182 68.868 0.258 0.000 1.008 81 T HN 0.473 nan 8.240 nan 0.000 0.473 82 L N 4.623 125.913 121.223 0.110 0.000 2.278 82 L HA 0.514 4.859 4.340 0.008 0.000 0.287 82 L C -0.222 176.693 176.870 0.075 0.000 1.072 82 L CA -0.594 54.302 54.840 0.093 0.000 0.819 82 L CB 0.341 42.452 42.059 0.087 0.000 1.176 82 L HN 0.380 nan 8.230 nan 0.000 0.435 83 L N 2.626 123.903 121.223 0.090 0.000 2.334 83 L HA 0.443 4.788 4.340 0.008 0.000 0.273 83 L C -0.221 176.677 176.870 0.048 0.000 1.013 83 L CA -1.035 53.866 54.840 0.102 0.000 0.816 83 L CB 1.989 44.167 42.059 0.199 0.000 1.278 83 L HN 0.577 nan 8.230 nan 0.000 0.431 84 D N 1.239 121.664 120.400 0.042 0.000 2.423 84 D HA 0.258 4.903 4.640 0.008 0.000 0.255 84 D C 1.008 177.314 176.300 0.010 0.000 1.174 84 D CA -0.280 53.726 54.000 0.009 0.000 1.008 84 D CB 1.012 41.819 40.800 0.011 0.000 1.101 84 D HN 0.534 nan 8.370 nan 0.000 0.516 85 A N -0.461 122.349 122.820 -0.017 0.000 2.084 85 A HA -0.199 4.126 4.320 0.008 0.000 0.221 85 A C 1.409 179.000 177.584 0.013 0.000 1.161 85 A CA 1.264 53.287 52.037 -0.023 0.000 0.653 85 A CB -0.572 18.407 19.000 -0.035 0.000 0.802 85 A HN 0.465 nan 8.150 nan 0.000 0.457 86 Q N -1.293 118.523 119.800 0.027 0.000 2.225 86 Q HA 0.237 4.582 4.340 0.008 0.000 0.259 86 Q C -0.309 175.726 176.000 0.058 0.000 0.872 86 Q CA 0.028 55.853 55.803 0.037 0.000 1.042 86 Q CB 0.585 29.335 28.738 0.020 0.000 1.142 86 Q HN 0.663 nan 8.270 nan 0.000 0.463 87 Q N -0.898 118.964 119.800 0.104 0.000 2.393 87 Q HA -0.229 4.115 4.340 0.008 0.000 0.235 87 Q C -0.449 175.616 176.000 0.109 0.000 0.823 87 Q CA 1.040 56.926 55.803 0.138 0.000 1.284 87 Q CB -1.408 27.384 28.738 0.090 0.000 1.669 87 Q HN 0.339 nan 8.270 nan 0.000 0.597 88 R N -0.167 120.380 120.500 0.078 0.000 2.441 88 R HA 0.419 4.764 4.340 0.008 0.000 0.284 88 R C -0.240 176.102 176.300 0.071 0.000 1.070 88 R CA -0.482 55.658 56.100 0.067 0.000 1.047 88 R CB 1.023 31.347 30.300 0.040 0.000 1.016 88 R HN -0.074 nan 8.270 nan 0.000 0.477 89 V N 6.055 126.003 119.914 0.057 0.000 2.390 89 V HA -0.079 4.045 4.120 0.008 0.000 0.260 89 V C 1.642 177.740 176.094 0.008 0.000 1.043 89 V CA 0.097 62.406 62.300 0.015 0.000 1.047 89 V CB 0.294 32.080 31.823 -0.062 0.000 1.066 89 V HN 0.684 nan 8.190 nan 0.000 0.481 90 L N 4.780 126.017 121.223 0.023 0.000 1.956 90 L HA -0.078 4.267 4.340 0.008 0.000 0.216 90 L C 1.419 178.310 176.870 0.034 0.000 1.073 90 L CA 1.948 56.808 54.840 0.032 0.000 0.762 90 L CB -0.844 41.242 42.059 0.044 0.000 0.889 90 L HN 0.820 nan 8.230 nan 0.000 0.433 91 R N -1.501 119.019 120.500 0.033 0.000 2.905 91 R HA 0.573 4.918 4.340 0.008 0.000 0.260 91 R C -2.694 173.597 176.300 -0.016 0.000 1.086 91 R CA -1.791 54.332 56.100 0.039 0.000 0.978 91 R CB 0.181 30.536 30.300 0.092 0.000 1.215 91 R HN -0.167 nan 8.270 nan 0.000 0.480 92 P HA 0.081 nan 4.420 nan 0.000 0.271 92 P C -0.944 176.299 177.300 -0.095 0.000 1.244 92 P CA -0.251 62.793 63.100 -0.093 0.000 0.793 92 P CB 0.429 32.100 31.700 -0.049 0.000 0.984 93 A N 1.264 123.990 122.820 -0.157 0.000 2.363 93 A HA 0.404 4.729 4.320 0.008 0.000 0.270 93 A C -0.017 177.574 177.584 0.012 0.000 1.121 93 A CA -0.424 51.591 52.037 -0.036 0.000 0.800 93 A CB -0.488 18.521 19.000 0.015 0.000 1.052 93 A HN 0.437 nan 8.150 nan 0.000 0.493 94 I N 3.867 124.449 120.570 0.021 0.000 2.291 94 I HA 0.164 4.339 4.170 0.008 0.000 0.290 94 I C -0.078 176.056 176.117 0.028 0.000 1.050 94 I CA -0.046 61.214 61.300 -0.066 0.000 1.245 94 I CB 0.486 38.390 38.000 -0.159 0.000 1.405 94 I HN 0.535 nan 8.210 nan 0.000 0.478 95 L N 5.321 126.554 121.223 0.016 0.000 2.476 95 L HA 0.098 4.442 4.340 0.008 0.000 0.255 95 L C 1.628 178.509 176.870 0.017 0.000 1.218 95 L CA -0.514 54.370 54.840 0.073 0.000 0.819 95 L CB 0.276 42.334 42.059 -0.002 0.000 1.119 95 L HN 0.781 nan 8.230 nan 0.000 0.485 96 W N 1.280 122.661 121.300 0.134 0.000 2.331 96 W HA -0.222 4.443 4.660 0.008 0.000 0.291 96 W C 1.048 177.627 176.519 0.100 0.000 1.214 96 W CA 1.426 58.882 57.345 0.184 0.000 1.228 96 W CB -1.117 28.496 29.460 0.256 0.000 1.135 96 W HN 0.829 nan 8.180 nan 0.000 0.537 97 N N 0.499 118.614 118.700 -0.975 0.000 2.268 97 N HA -0.048 4.697 4.740 0.008 0.000 0.204 97 N C 0.038 175.280 175.510 -0.447 0.000 1.124 97 N CA -0.269 52.250 53.050 -0.884 0.000 0.838 97 N CB -0.251 37.340 38.487 -1.493 0.000 0.994 97 N HN -0.071 nan 8.380 nan 0.000 0.489 98 D N 0.787 120.991 120.400 -0.327 0.000 2.312 98 D HA 0.091 4.736 4.640 0.008 0.000 0.252 98 D C 0.026 176.180 176.300 -0.242 0.000 1.150 98 D CA -0.036 53.801 54.000 -0.270 0.000 0.870 98 D CB 1.381 41.998 40.800 -0.304 0.000 1.153 98 D HN 0.402 nan 8.370 nan 0.000 0.457 99 G N 3.522 112.197 108.800 -0.208 0.000 4.331 99 G HA2 0.010 3.975 3.960 0.008 0.000 0.299 99 G HA3 0.010 3.975 3.960 0.008 0.000 0.299 99 G C 1.199 175.991 174.900 -0.179 0.000 1.158 99 G CA -0.467 44.530 45.100 -0.172 0.000 0.916 99 G HN 0.573 nan 8.290 nan 0.000 0.553 100 R N -1.024 119.277 120.500 -0.332 0.000 2.200 100 R HA 0.033 4.378 4.340 0.008 0.000 0.208 100 R C 1.564 177.654 176.300 -0.350 0.000 1.033 100 R CA 1.141 57.011 56.100 -0.384 0.000 1.000 100 R CB -0.637 29.143 30.300 -0.867 0.000 0.906 100 R HN 0.372 nan 8.270 nan 0.000 0.462 101 C N -0.561 118.543 119.300 -0.327 0.000 2.404 101 C HA 0.680 5.145 4.460 0.008 0.000 0.325 101 C C 1.997 176.990 174.990 0.006 0.000 1.363 101 C CA -0.743 58.219 59.018 -0.093 0.000 1.775 101 C CB -0.158 27.534 27.740 -0.080 0.000 2.254 101 C HN 0.498 nan 8.230 nan 0.000 0.568 102 A N 1.107 123.921 122.820 -0.011 0.000 1.978 102 A HA -0.259 4.066 4.320 0.008 0.000 0.220 102 A C 2.400 180.007 177.584 0.038 0.000 1.170 102 A CA 2.105 54.141 52.037 -0.001 0.000 0.636 102 A CB -0.577 18.421 19.000 -0.004 0.000 0.810 102 A HN 0.823 nan 8.150 nan 0.000 0.448 103 Q N -0.935 118.915 119.800 0.083 0.000 2.331 103 Q HA -0.092 4.253 4.340 0.008 0.000 0.203 103 Q C 1.336 177.395 176.000 0.097 0.000 0.944 103 Q CA 1.254 57.112 55.803 0.091 0.000 0.892 103 Q CB -0.018 28.791 28.738 0.119 0.000 0.983 103 Q HN 0.578 nan 8.270 nan 0.000 0.482 104 E N -0.766 119.509 120.200 0.126 0.000 2.435 104 E HA -0.022 4.333 4.350 0.008 0.000 0.195 104 E C 1.351 178.003 176.600 0.088 0.000 1.029 104 E CA 0.361 56.836 56.400 0.125 0.000 0.865 104 E CB 0.030 29.842 29.700 0.187 0.000 0.833 104 E HN 0.350 nan 8.360 nan 0.000 0.510 105 C N -0.426 118.911 119.300 0.062 0.000 2.467 105 C HA -0.018 4.447 4.460 0.008 0.000 0.279 105 C C 2.429 177.443 174.990 0.039 0.000 1.347 105 C CA 1.069 60.110 59.018 0.040 0.000 1.748 105 C CB -0.605 27.137 27.740 0.003 0.000 1.977 105 C HN 0.471 nan 8.230 nan 0.000 0.501 106 T N 0.879 115.456 114.554 0.039 0.000 2.896 106 T HA -0.062 4.293 4.350 0.008 0.000 0.263 106 T C 1.853 176.577 174.700 0.041 0.000 1.050 106 T CA 0.660 62.781 62.100 0.035 0.000 1.140 106 T CB -0.254 68.634 68.868 0.033 0.000 0.877 106 T HN 0.401 nan 8.240 nan 0.000 0.457 107 L N 0.887 122.139 121.223 0.049 0.000 2.017 107 L HA -0.002 4.343 4.340 0.008 0.000 0.208 107 L C 2.304 179.207 176.870 0.055 0.000 1.073 107 L CA 1.605 56.474 54.840 0.048 0.000 0.745 107 L CB -0.559 41.531 42.059 0.052 0.000 0.894 107 L HN 0.308 nan 8.230 nan 0.000 0.432 108 L N -0.327 120.936 121.223 0.068 0.000 2.093 108 L HA -0.236 4.109 4.340 0.008 0.000 0.208 108 L C 2.345 179.260 176.870 0.074 0.000 1.085 108 L CA 1.377 56.267 54.840 0.082 0.000 0.755 108 L CB -0.122 41.994 42.059 0.095 0.000 0.904 108 L HN 0.372 nan 8.230 nan 0.000 0.435 109 E N -0.776 119.460 120.200 0.061 0.000 2.285 109 E HA -0.104 4.251 4.350 0.008 0.000 0.194 109 E C 1.921 178.549 176.600 0.045 0.000 0.997 109 E CA 0.700 57.132 56.400 0.053 0.000 0.845 109 E CB 0.134 29.860 29.700 0.043 0.000 0.782 109 E HN 0.522 nan 8.360 nan 0.000 0.491 110 A N 0.515 123.361 122.820 0.042 0.000 2.132 110 A HA 0.017 4.342 4.320 0.008 0.000 0.213 110 A C 1.869 179.477 177.584 0.039 0.000 1.154 110 A CA 0.330 52.388 52.037 0.036 0.000 0.753 110 A CB 0.059 19.077 19.000 0.031 0.000 0.826 110 A HN 0.015 nan 8.150 nan 0.000 0.469 111 R N -1.144 119.385 120.500 0.048 0.000 2.200 111 R HA 0.142 4.487 4.340 0.008 0.000 0.208 111 R C -0.657 175.677 176.300 0.056 0.000 1.033 111 R CA 0.661 56.792 56.100 0.051 0.000 1.000 111 R CB 0.394 30.730 30.300 0.061 0.000 0.906 111 R HN 0.246 nan 8.270 nan 0.000 0.462 112 V N 1.488 121.439 119.914 0.060 0.000 2.516 112 V HA 0.172 4.297 4.120 0.008 0.000 0.271 112 V C -2.150 173.977 176.094 0.055 0.000 0.992 112 V CA -1.116 61.222 62.300 0.063 0.000 0.857 112 V CB 1.911 33.783 31.823 0.081 0.000 1.047 112 V HN -0.050 nan 8.190 nan 0.000 0.455 113 P HA -0.129 nan 4.420 nan 0.000 0.218 113 P C 0.985 178.309 177.300 0.040 0.000 1.148 113 P CA 1.086 64.208 63.100 0.038 0.000 0.822 113 P CB 0.245 31.964 31.700 0.031 0.000 0.784 114 Q N -0.648 119.179 119.800 0.045 0.000 2.414 114 Q HA 0.107 4.452 4.340 0.008 0.000 0.286 114 Q C 1.417 177.453 176.000 0.060 0.000 0.941 114 Q CA 0.228 56.061 55.803 0.049 0.000 0.951 114 Q CB -0.330 28.437 28.738 0.048 0.000 1.188 114 Q HN 0.245 nan 8.270 nan 0.000 0.418 115 S N 0.144 115.881 115.700 0.062 0.000 2.406 115 S HA -0.027 4.447 4.470 0.008 0.000 0.224 115 S C 1.598 176.240 174.600 0.070 0.000 1.030 115 S CA 0.293 58.536 58.200 0.073 0.000 0.958 115 S CB 0.250 63.495 63.200 0.075 0.000 0.811 115 S HN 0.411 nan 8.310 nan 0.000 0.489 116 R N 0.491 121.026 120.500 0.058 0.000 2.148 116 R HA 0.100 4.445 4.340 0.008 0.000 0.223 116 R C 2.147 178.492 176.300 0.075 0.000 1.088 116 R CA 1.137 57.269 56.100 0.053 0.000 0.985 116 R CB -0.486 29.831 30.300 0.028 0.000 0.880 116 R HN 0.350 nan 8.270 nan 0.000 0.451 117 V N 1.365 121.325 119.914 0.077 0.000 2.379 117 V HA -0.171 3.954 4.120 0.008 0.000 0.245 117 V C 2.244 178.431 176.094 0.154 0.000 1.044 117 V CA 1.475 63.840 62.300 0.108 0.000 1.036 117 V CB -0.305 31.564 31.823 0.076 0.000 0.664 117 V HN 0.215 nan 8.190 nan 0.000 0.453 118 I N 1.182 121.810 120.570 0.097 0.000 2.163 118 I HA -0.208 3.967 4.170 0.008 0.000 0.240 118 I C 2.641 178.763 176.117 0.009 0.000 1.081 118 I CA 2.167 63.501 61.300 0.057 0.000 1.353 118 I CB -0.833 37.206 38.000 0.065 0.000 1.054 118 I HN 0.476 nan 8.210 nan 0.000 0.407 119 T N -1.911 112.668 114.554 0.042 0.000 3.043 119 T HA 0.187 4.542 4.350 0.008 0.000 0.263 119 T C 1.652 176.372 174.700 0.034 0.000 1.094 119 T CA 0.593 62.700 62.100 0.011 0.000 1.127 119 T CB 0.186 69.072 68.868 0.030 0.000 0.905 119 T HN 0.577 nan 8.240 nan 0.000 0.490 120 G N 1.166 110.057 108.800 0.152 0.000 2.148 120 G HA2 -0.232 3.733 3.960 0.008 0.000 0.254 120 G HA3 -0.232 3.733 3.960 0.008 0.000 0.254 120 G C -0.150 174.760 174.900 0.016 0.000 0.981 120 G CA 0.145 45.393 45.100 0.246 0.000 0.670 120 G HN 0.708 nan 8.290 nan 0.000 0.528 121 N N -1.323 117.371 118.700 -0.010 0.000 2.571 121 N HA 0.715 5.460 4.740 0.008 0.000 0.273 121 N C -0.619 174.903 175.510 0.020 0.000 1.340 121 N CA -0.764 52.254 53.050 -0.053 0.000 0.789 121 N CB 1.493 39.951 38.487 -0.050 0.000 1.514 121 N HN 0.186 nan 8.380 nan 0.000 0.499 122 L N 1.153 122.366 121.223 -0.016 0.000 2.326 122 L HA 0.458 4.803 4.340 0.008 0.000 0.278 122 L C -0.360 176.534 176.870 0.040 0.000 1.092 122 L CA -0.732 54.100 54.840 -0.014 0.000 0.810 122 L CB 0.739 42.750 42.059 -0.079 0.000 1.153 122 L HN 0.588 nan 8.230 nan 0.000 0.439 123 M N 5.664 125.288 119.600 0.039 0.000 2.522 123 M HA 0.198 4.683 4.480 0.008 0.000 0.333 123 M C -0.618 175.595 176.300 -0.145 0.000 1.632 123 M CA 1.098 56.430 55.300 0.053 0.000 1.293 123 M CB -0.228 32.409 32.600 0.062 0.000 1.857 123 M HN 0.442 nan 8.290 nan 0.000 0.456 124 M N 6.694 125.995 119.600 -0.499 0.000 2.472 124 M HA 0.364 4.849 4.480 0.008 0.000 0.331 124 M C -1.443 174.587 176.300 -0.451 0.000 1.170 124 M CA -1.821 53.106 55.300 -0.622 0.000 1.009 124 M CB 1.610 33.634 32.600 -0.959 0.000 1.672 124 M HN 0.362 nan 8.290 nan 0.000 0.453 125 P HA -0.143 nan 4.420 nan 0.000 0.217 125 P C 1.071 178.290 177.300 -0.134 0.000 1.148 125 P CA 1.358 64.360 63.100 -0.163 0.000 0.834 125 P CB 0.061 31.672 31.700 -0.148 0.000 0.783 126 G N -2.053 106.654 108.800 -0.155 0.000 2.511 126 G HA2 -0.062 3.903 3.960 0.008 0.000 0.217 126 G HA3 -0.062 3.903 3.960 0.008 0.000 0.217 126 G C 0.436 175.445 174.900 0.182 0.000 1.133 126 G CA -0.260 44.846 45.100 0.010 0.000 0.792 126 G HN 0.234 nan 8.290 nan 0.000 0.539 127 F N 1.214 121.085 119.950 -0.130 0.000 2.506 127 F HA 0.048 4.579 4.527 0.008 0.000 0.351 127 F C 2.087 177.824 175.800 -0.104 0.000 1.136 127 F CA -0.470 57.441 58.000 -0.149 0.000 1.298 127 F CB 0.925 39.841 39.000 -0.139 0.000 1.145 127 F HN -0.041 nan 8.300 nan 0.000 0.593 128 T N 1.772 116.351 114.554 0.042 0.000 2.708 128 T HA -0.233 4.122 4.350 0.008 0.000 0.266 128 T C 2.159 176.651 174.700 -0.347 0.000 1.037 128 T CA 1.255 63.274 62.100 -0.136 0.000 1.146 128 T CB -0.363 68.370 68.868 -0.224 0.000 0.865 128 T HN 0.734 nan 8.240 nan 0.000 0.435 129 A N 2.891 125.294 122.820 -0.694 0.000 1.869 129 A HA -0.133 4.192 4.320 0.008 0.000 0.218 129 A C 0.605 178.168 177.584 -0.035 0.000 1.203 129 A CA 1.962 53.614 52.037 -0.642 0.000 0.638 129 A CB -1.769 16.853 19.000 -0.629 0.000 0.831 129 A HN 0.473 nan 8.150 nan 0.000 0.450 130 P HA -0.131 nan 4.420 nan 0.000 0.225 130 P C 0.840 178.223 177.300 0.139 0.000 1.148 130 P CA 1.379 64.536 63.100 0.095 0.000 0.779 130 P CB -0.088 31.651 31.700 0.064 0.000 0.780 131 K N -0.251 120.212 120.400 0.105 0.000 2.057 131 K HA -0.025 4.300 4.320 0.008 0.000 0.206 131 K C 2.269 179.039 176.600 0.282 0.000 1.050 131 K CA 0.906 57.269 56.287 0.125 0.000 0.935 131 K CB -0.588 31.939 32.500 0.044 0.000 0.715 131 K HN 0.116 nan 8.250 nan 0.000 0.439 132 L N 0.656 122.074 121.223 0.324 0.000 2.201 132 L HA -0.157 4.188 4.340 0.008 0.000 0.212 132 L C 2.058 179.140 176.870 0.354 0.000 1.105 132 L CA 0.517 55.625 54.840 0.446 0.000 0.775 132 L CB -0.149 42.273 42.059 0.605 0.000 0.913 132 L HN 0.106 nan 8.230 nan 0.000 0.440 133 L N -1.642 119.745 121.223 0.274 0.000 2.141 133 L HA -0.207 4.138 4.340 0.008 0.000 0.209 133 L C 2.037 178.980 176.870 0.122 0.000 1.094 133 L CA 1.652 56.575 54.840 0.138 0.000 0.763 133 L CB -0.674 41.477 42.059 0.154 0.000 0.908 133 L HN 0.371 nan 8.230 nan 0.000 0.437 134 W N -1.035 120.297 121.300 0.053 0.000 2.407 134 W HA -0.138 4.527 4.660 0.008 0.000 0.305 134 W C 2.324 178.913 176.519 0.116 0.000 1.196 134 W CA 1.656 59.055 57.345 0.090 0.000 1.311 134 W CB -0.151 29.320 29.460 0.019 0.000 1.135 134 W HN -0.129 nan 8.180 nan 0.000 0.514 135 V N 0.894 121.040 119.914 0.387 0.000 2.332 135 V HA -0.385 3.740 4.120 0.008 0.000 0.248 135 V C 2.324 178.429 176.094 0.018 0.000 1.055 135 V CA 2.431 64.890 62.300 0.266 0.000 1.038 135 V CB -1.214 30.853 31.823 0.407 0.000 0.651 135 V HN 0.373 nan 8.190 nan 0.000 0.450 136 Q N 0.163 119.846 119.800 -0.194 0.000 2.084 136 Q HA -0.263 4.081 4.340 0.008 0.000 0.202 136 Q C 2.487 178.261 176.000 -0.378 0.000 0.978 136 Q CA 2.081 57.502 55.803 -0.636 0.000 0.844 136 Q CB -0.150 27.807 28.738 -1.301 0.000 0.898 136 Q HN 0.604 nan 8.270 nan 0.000 0.426 137 R N -1.329 118.967 120.500 -0.340 0.000 2.119 137 R HA -0.099 4.246 4.340 0.008 0.000 0.222 137 R C 1.568 177.539 176.300 -0.549 0.000 1.088 137 R CA 1.278 57.141 56.100 -0.395 0.000 0.984 137 R CB 0.049 30.124 30.300 -0.375 0.000 0.884 137 R HN 0.461 nan 8.270 nan 0.000 0.447 138 H N -0.766 117.963 119.070 -0.568 0.000 2.639 138 H HA 0.184 4.745 4.556 0.008 0.000 0.267 138 H C -0.036 175.116 175.328 -0.294 0.000 0.958 138 H CA 0.478 56.183 56.048 -0.572 0.000 1.221 138 H CB 0.867 29.901 29.762 -1.212 0.000 1.446 138 H HN 0.269 nan 8.280 nan 0.000 0.512 139 E N 0.345 120.489 120.200 -0.094 0.000 4.129 139 E HA 0.146 4.501 4.350 0.008 0.000 0.222 139 E C -2.189 174.444 176.600 0.056 0.000 1.179 139 E CA -1.459 54.957 56.400 0.027 0.000 1.334 139 E CB 1.498 31.267 29.700 0.115 0.000 1.202 139 E HN 0.147 nan 8.360 nan 0.000 0.428 140 P HA -0.245 nan 4.420 nan 0.000 0.216 140 P C 0.869 178.237 177.300 0.112 0.000 1.154 140 P CA 1.359 64.483 63.100 0.040 0.000 0.865 140 P CB 0.329 32.017 31.700 -0.020 0.000 0.789 141 E N -1.093 119.152 120.200 0.075 0.000 2.118 141 E HA -0.157 4.198 4.350 0.008 0.000 0.195 141 E C 1.798 178.452 176.600 0.090 0.000 0.992 141 E CA 1.061 57.505 56.400 0.072 0.000 0.804 141 E CB -0.917 28.814 29.700 0.051 0.000 0.741 141 E HN 0.267 nan 8.360 nan 0.000 0.458 142 I N -0.482 120.157 120.570 0.115 0.000 2.406 142 I HA -0.113 4.062 4.170 0.008 0.000 0.249 142 I C 1.844 178.041 176.117 0.133 0.000 1.122 142 I CA 0.613 61.981 61.300 0.113 0.000 1.431 142 I CB -0.231 37.847 38.000 0.131 0.000 1.087 142 I HN 0.044 nan 8.210 nan 0.000 0.424 143 F N 1.404 121.374 119.950 0.034 0.000 2.171 143 F HA -0.219 4.313 4.527 0.008 0.000 0.300 143 F C 2.665 178.473 175.800 0.012 0.000 1.090 143 F CA 1.470 59.489 58.000 0.032 0.000 1.293 143 F CB -0.150 38.867 39.000 0.028 0.000 1.013 143 F HN -0.144 nan 8.300 nan 0.000 0.486 144 R N 0.069 120.656 120.500 0.144 0.000 2.120 144 R HA -0.142 4.203 4.340 0.008 0.000 0.234 144 R C 1.960 178.229 176.300 -0.052 0.000 1.123 144 R CA 1.404 57.531 56.100 0.046 0.000 0.975 144 R CB -0.230 30.114 30.300 0.073 0.000 0.866 144 R HN 0.290 nan 8.270 nan 0.000 0.446 145 Q N 0.202 119.978 119.800 -0.040 0.000 2.482 145 Q HA 0.023 4.368 4.340 0.008 0.000 0.209 145 Q C -0.050 175.893 176.000 -0.094 0.000 0.961 145 Q CA 0.275 56.048 55.803 -0.050 0.000 0.945 145 Q CB 0.239 28.970 28.738 -0.011 0.000 1.012 145 Q HN 0.254 nan 8.270 nan 0.000 0.515 146 I N 1.695 122.157 120.570 -0.180 0.000 2.598 146 I HA -0.072 4.103 4.170 0.008 0.000 0.284 146 I C 1.144 177.140 176.117 -0.202 0.000 1.140 146 I CA 0.521 61.693 61.300 -0.213 0.000 1.420 146 I CB 0.498 38.269 38.000 -0.381 0.000 1.387 146 I HN 0.054 nan 8.210 nan 0.000 0.553 147 D N 4.330 124.638 120.400 -0.153 0.000 2.514 147 D HA 0.087 4.732 4.640 0.008 0.000 0.249 147 D C 0.070 176.236 176.300 -0.223 0.000 1.036 147 D CA 0.768 54.663 54.000 -0.175 0.000 0.911 147 D CB 0.692 41.412 40.800 -0.134 0.000 1.145 147 D HN 0.305 nan 8.370 nan 0.000 0.495 148 K N -0.238 120.067 120.400 -0.159 0.000 2.501 148 K HA 0.540 4.865 4.320 0.008 0.000 0.252 148 K C -1.774 174.815 176.600 -0.018 0.000 0.934 148 K CA -0.746 55.452 56.287 -0.148 0.000 0.797 148 K CB 2.670 35.074 32.500 -0.160 0.000 1.270 148 K HN -0.174 nan 8.250 nan 0.000 0.431 149 V N 5.206 125.106 119.914 -0.023 0.000 2.350 149 V HA 0.508 4.633 4.120 0.008 0.000 0.285 149 V C -0.601 175.617 176.094 0.205 0.000 1.014 149 V CA -0.745 61.617 62.300 0.103 0.000 0.831 149 V CB 0.846 32.731 31.823 0.103 0.000 1.000 149 V HN 0.562 nan 8.190 nan 0.000 0.433 150 L N 5.165 126.555 121.223 0.278 0.000 2.342 150 L HA 0.619 4.964 4.340 0.008 0.000 0.271 150 L C -0.298 176.762 176.870 0.318 0.000 1.008 150 L CA -0.727 54.304 54.840 0.319 0.000 0.818 150 L CB 2.182 44.459 42.059 0.364 0.000 1.296 150 L HN 0.401 nan 8.230 nan 0.000 0.427 151 L N 2.276 123.663 121.223 0.274 0.000 2.456 151 L HA 0.219 4.564 4.340 0.008 0.000 0.257 151 L C -1.465 175.502 176.870 0.162 0.000 1.162 151 L CA -1.457 53.502 54.840 0.200 0.000 0.808 151 L CB 0.524 42.659 42.059 0.127 0.000 1.136 151 L HN 0.376 nan 8.230 nan 0.000 0.466 152 P HA -0.252 nan 4.420 nan 0.000 0.213 152 P C 1.361 178.536 177.300 -0.207 0.000 1.176 152 P CA 1.382 64.230 63.100 -0.421 0.000 0.919 152 P CB 0.071 31.301 31.700 -0.782 0.000 0.791 153 K N -0.316 119.983 120.400 -0.168 0.000 2.074 153 K HA -0.234 4.091 4.320 0.008 0.000 0.209 153 K C 1.441 178.058 176.600 0.028 0.000 1.048 153 K CA 2.193 58.434 56.287 -0.077 0.000 0.926 153 K CB -0.678 31.773 32.500 -0.081 0.000 0.713 153 K HN 0.056 nan 8.250 nan 0.000 0.444 154 D N -0.395 120.048 120.400 0.072 0.000 2.183 154 D HA -0.157 4.487 4.640 0.008 0.000 0.203 154 D C 1.712 178.085 176.300 0.121 0.000 0.969 154 D CA 0.793 54.853 54.000 0.101 0.000 0.842 154 D CB -0.355 40.535 40.800 0.150 0.000 0.957 154 D HN 0.366 nan 8.370 nan 0.000 0.484 155 Y N 1.289 121.660 120.300 0.118 0.000 2.224 155 Y HA -0.170 4.384 4.550 0.008 0.000 0.289 155 Y C 1.996 177.968 175.900 0.120 0.000 1.146 155 Y CA 0.885 59.082 58.100 0.161 0.000 1.182 155 Y CB -0.242 38.435 38.460 0.362 0.000 0.983 155 Y HN -0.139 nan 8.280 nan 0.000 0.524 156 L N 0.893 122.183 121.223 0.112 0.000 2.141 156 L HA -0.118 4.227 4.340 0.008 0.000 0.209 156 L C 2.703 179.573 176.870 0.001 0.000 1.094 156 L CA 1.618 56.529 54.840 0.119 0.000 0.763 156 L CB -0.908 41.295 42.059 0.239 0.000 0.908 156 L HN 0.246 nan 8.230 nan 0.000 0.437 157 R N -0.926 119.551 120.500 -0.039 0.000 2.075 157 R HA -0.178 4.167 4.340 0.008 0.000 0.232 157 R C 2.259 178.435 176.300 -0.206 0.000 1.126 157 R CA 1.556 57.613 56.100 -0.071 0.000 0.963 157 R CB -0.414 29.851 30.300 -0.060 0.000 0.858 157 R HN 0.297 nan 8.270 nan 0.000 0.435 158 L N 1.496 122.522 121.223 -0.328 0.000 2.012 158 L HA -0.189 4.156 4.340 0.008 0.000 0.210 158 L C 2.144 178.692 176.870 -0.536 0.000 1.073 158 L CA 1.822 56.362 54.840 -0.501 0.000 0.748 158 L CB -0.415 41.285 42.059 -0.597 0.000 0.891 158 L HN 0.092 nan 8.230 nan 0.000 0.431 159 R N -0.668 119.426 120.500 -0.678 0.000 2.148 159 R HA -0.041 4.304 4.340 0.008 0.000 0.227 159 R C 1.989 177.872 176.300 -0.696 0.000 1.103 159 R CA 1.590 57.120 56.100 -0.949 0.000 0.983 159 R CB -0.704 28.612 30.300 -1.641 0.000 0.874 159 R HN 0.517 nan 8.270 nan 0.000 0.451 160 M N -0.816 118.602 119.600 -0.304 0.000 2.486 160 M HA 0.031 4.516 4.480 0.008 0.000 0.264 160 M C 1.460 177.669 176.300 -0.153 0.000 1.125 160 M CA 1.525 56.762 55.300 -0.105 0.000 1.144 160 M CB 0.198 32.872 32.600 0.124 0.000 1.353 160 M HN 0.111 nan 8.290 nan 0.000 0.466 161 T N -4.620 109.825 114.554 -0.182 0.000 2.986 161 T HA 0.385 4.740 4.350 0.008 0.000 0.264 161 T C 1.390 175.979 174.700 -0.184 0.000 0.964 161 T CA 0.624 62.630 62.100 -0.156 0.000 0.895 161 T CB 0.669 69.464 68.868 -0.122 0.000 1.163 161 T HN 0.487 nan 8.240 nan 0.000 0.517 162 G N 1.593 110.235 108.800 -0.264 0.000 2.162 162 G HA2 -0.206 3.759 3.960 0.008 0.000 0.260 162 G HA3 -0.206 3.759 3.960 0.008 0.000 0.260 162 G C -0.165 174.549 174.900 -0.311 0.000 0.976 162 G CA 0.312 45.242 45.100 -0.283 0.000 0.655 162 G HN 0.643 nan 8.290 nan 0.000 0.533 163 E N -0.859 119.166 120.200 -0.291 0.000 2.250 163 E HA 0.640 4.994 4.350 0.008 0.000 0.265 163 E C -0.638 175.749 176.600 -0.355 0.000 1.033 163 E CA -0.680 55.598 56.400 -0.202 0.000 0.888 163 E CB 0.710 30.357 29.700 -0.087 0.000 1.151 163 E HN 0.140 nan 8.360 nan 0.000 0.412 164 F N 0.739 120.712 119.950 0.039 0.000 2.363 164 F HA 0.473 5.005 4.527 0.008 0.000 0.366 164 F C 0.172 176.058 175.800 0.142 0.000 1.083 164 F CA -0.441 57.601 58.000 0.070 0.000 1.176 164 F CB 1.173 40.207 39.000 0.057 0.000 1.432 164 F HN 0.346 nan 8.300 nan 0.000 0.482 165 A N 1.366 124.332 122.820 0.243 0.000 2.515 165 A HA 0.889 5.214 4.320 0.008 0.000 0.296 165 A C -0.887 176.841 177.584 0.239 0.000 1.094 165 A CA -0.640 51.575 52.037 0.296 0.000 0.718 165 A CB 2.143 21.240 19.000 0.163 0.000 1.307 165 A HN 0.406 nan 8.150 nan 0.000 0.408 166 S N -0.630 115.245 115.700 0.292 0.000 2.671 166 S HA 0.657 5.132 4.470 0.008 0.000 0.277 166 S C -1.998 172.701 174.600 0.165 0.000 1.165 166 S CA -0.287 58.037 58.200 0.206 0.000 0.822 166 S CB 1.487 64.845 63.200 0.264 0.000 1.150 166 S HN 1.008 nan 8.310 nan 0.000 0.479 167 D N 1.157 121.602 120.400 0.075 0.000 2.374 167 D HA 0.254 4.899 4.640 0.008 0.000 0.239 167 D C 1.216 177.490 176.300 -0.043 0.000 0.991 167 D CA -0.638 53.379 54.000 0.028 0.000 0.960 167 D CB 0.824 41.627 40.800 0.005 0.000 1.284 167 D HN 0.414 nan 8.370 nan 0.000 0.512 168 M N 1.087 120.632 119.600 -0.091 0.000 2.108 168 M HA -0.176 4.308 4.480 0.008 0.000 0.261 168 M C 2.284 178.513 176.300 -0.117 0.000 1.066 168 M CA 1.657 56.865 55.300 -0.153 0.000 1.107 168 M CB -1.681 30.794 32.600 -0.207 0.000 1.356 168 M HN 0.666 nan 8.290 nan 0.000 0.406 169 S N 0.100 115.755 115.700 -0.074 0.000 2.348 169 S HA -0.186 4.289 4.470 0.008 0.000 0.221 169 S C 1.840 176.343 174.600 -0.161 0.000 1.033 169 S CA 1.711 59.874 58.200 -0.061 0.000 1.010 169 S CB -0.453 62.759 63.200 0.021 0.000 0.891 169 S HN 0.371 nan 8.310 nan 0.000 0.442 170 D N 1.688 122.010 120.400 -0.131 0.000 2.123 170 D HA 0.148 4.793 4.640 0.008 0.000 0.200 170 D C 2.254 178.498 176.300 -0.093 0.000 0.976 170 D CA 1.284 55.188 54.000 -0.159 0.000 0.831 170 D CB -0.594 40.152 40.800 -0.091 0.000 0.974 170 D HN 0.504 nan 8.370 nan 0.000 0.469 171 A N 0.970 123.771 122.820 -0.032 0.000 1.883 171 A HA -0.115 4.210 4.320 0.008 0.000 0.217 171 A C 2.367 179.966 177.584 0.024 0.000 1.186 171 A CA 2.519 54.576 52.037 0.033 0.000 0.624 171 A CB -0.990 17.908 19.000 -0.170 0.000 0.822 171 A HN 0.256 nan 8.150 nan 0.000 0.444 172 A N -0.598 122.198 122.820 -0.040 0.000 1.986 172 A HA 0.048 4.372 4.320 0.008 0.000 0.220 172 A C 2.226 179.866 177.584 0.093 0.000 1.171 172 A CA 1.861 53.931 52.037 0.055 0.000 0.640 172 A CB -1.292 17.800 19.000 0.153 0.000 0.811 172 A HN 0.910 nan 8.150 nan 0.000 0.451 173 G N -1.014 107.724 108.800 -0.104 0.000 2.776 173 G HA2 0.039 4.004 3.960 0.008 0.000 0.209 173 G HA3 0.039 4.004 3.960 0.008 0.000 0.209 173 G C 1.330 176.227 174.900 -0.005 0.000 1.145 173 G CA 1.515 46.546 45.100 -0.114 0.000 0.791 173 G HN 0.695 nan 8.290 nan 0.000 0.530 174 T N -3.397 111.148 114.554 -0.015 0.000 3.051 174 T HA 0.144 4.499 4.350 0.008 0.000 0.255 174 T C 1.500 175.991 174.700 -0.348 0.000 1.085 174 T CA 0.511 62.534 62.100 -0.129 0.000 1.109 174 T CB 0.019 68.948 68.868 0.102 0.000 0.921 174 T HN 0.161 nan 8.240 nan 0.000 0.488 175 M N -0.935 118.570 119.600 -0.157 0.000 2.965 175 M HA -0.112 4.373 4.480 0.008 0.000 0.213 175 M C -0.402 175.907 176.300 0.014 0.000 0.564 175 M CA 0.472 55.707 55.300 -0.110 0.000 0.784 175 M CB -2.618 29.900 32.600 -0.136 0.000 2.816 175 M HN 0.592 nan 8.290 nan 0.000 0.409 176 W N -0.503 120.923 121.300 0.211 0.000 2.868 176 W HA 0.492 5.157 4.660 0.008 0.000 0.320 176 W C 0.637 177.357 176.519 0.334 0.000 1.076 176 W CA -0.371 57.141 57.345 0.279 0.000 1.576 176 W CB 0.242 29.903 29.460 0.336 0.000 1.030 176 W HN 0.213 nan 8.180 nan 0.000 0.558 177 L N 2.035 123.498 121.223 0.400 0.000 2.350 177 L HA 0.233 4.578 4.340 0.008 0.000 0.275 177 L C 0.362 177.263 176.870 0.052 0.000 1.099 177 L CA 0.425 55.346 54.840 0.135 0.000 0.808 177 L CB 0.745 42.767 42.059 -0.061 0.000 1.149 177 L HN -0.213 nan 8.230 nan 0.000 0.442 178 D N 3.907 124.306 120.400 -0.002 0.000 2.468 178 D HA 0.049 4.694 4.640 0.008 0.000 0.218 178 D C 1.175 177.392 176.300 -0.137 0.000 1.155 178 D CA -0.115 53.857 54.000 -0.047 0.000 0.924 178 D CB 0.947 41.739 40.800 -0.013 0.000 1.029 178 D HN 0.458 nan 8.370 nan 0.000 0.515 179 V N 4.222 123.998 119.914 -0.230 0.000 2.313 179 V HA -0.355 3.770 4.120 0.008 0.000 0.253 179 V C 2.571 178.535 176.094 -0.217 0.000 1.070 179 V CA 2.368 64.496 62.300 -0.288 0.000 1.057 179 V CB -0.899 30.614 31.823 -0.518 0.000 0.653 179 V HN 0.648 nan 8.190 nan 0.000 0.450 180 A N 0.069 122.598 122.820 -0.485 0.000 1.845 180 A HA -0.243 4.082 4.320 0.008 0.000 0.215 180 A C 2.242 179.885 177.584 0.099 0.000 1.195 180 A CA 2.112 54.039 52.037 -0.184 0.000 0.616 180 A CB -0.496 18.425 19.000 -0.131 0.000 0.832 180 A HN 0.574 nan 8.150 nan 0.000 0.443 181 K N -0.933 119.477 120.400 0.015 0.000 2.439 181 K HA 0.021 4.346 4.320 0.008 0.000 0.197 181 K C -0.268 176.336 176.600 0.008 0.000 1.041 181 K CA 0.474 56.782 56.287 0.035 0.000 0.970 181 K CB -0.049 32.453 32.500 0.004 0.000 0.773 181 K HN 0.456 nan 8.250 nan 0.000 0.479 182 R N 1.609 122.094 120.500 -0.024 0.000 3.205 182 R HA -0.191 4.154 4.340 0.008 0.000 0.249 182 R C -0.841 175.342 176.300 -0.196 0.000 0.937 182 R CA 0.660 56.684 56.100 -0.127 0.000 0.641 182 R CB -1.809 28.406 30.300 -0.141 0.000 1.114 182 R HN 0.311 nan 8.270 nan 0.000 0.451 183 D N -1.124 119.145 120.400 -0.218 0.000 2.648 183 D HA 0.270 4.915 4.640 0.008 0.000 0.244 183 D C -0.795 175.368 176.300 -0.228 0.000 1.244 183 D CA -0.680 53.159 54.000 -0.268 0.000 0.772 183 D CB 0.589 41.324 40.800 -0.110 0.000 1.379 183 D HN 0.142 nan 8.370 nan 0.000 0.428 184 W N 1.347 122.659 121.300 0.020 0.000 2.257 184 W HA 0.247 4.912 4.660 0.008 0.000 0.337 184 W C 0.894 177.436 176.519 0.038 0.000 1.321 184 W CA -0.292 57.077 57.345 0.040 0.000 1.267 184 W CB 0.590 30.054 29.460 0.007 0.000 1.187 184 W HN 0.162 nan 8.180 nan 0.000 0.565 185 S N 2.804 118.705 115.700 0.335 0.000 2.422 185 S HA 0.064 4.539 4.470 0.008 0.000 0.298 185 S C 0.888 175.603 174.600 0.191 0.000 1.118 185 S CA -0.703 57.623 58.200 0.209 0.000 1.083 185 S CB 0.490 63.803 63.200 0.189 0.000 0.971 185 S HN 0.479 nan 8.310 nan 0.000 0.478 186 D N 3.851 124.329 120.400 0.130 0.000 2.117 186 D HA -0.111 4.534 4.640 0.008 0.000 0.197 186 D C 2.049 178.398 176.300 0.081 0.000 0.987 186 D CA 1.135 55.185 54.000 0.083 0.000 0.829 186 D CB 0.046 40.880 40.800 0.057 0.000 0.961 186 D HN 0.488 nan 8.370 nan 0.000 0.460 187 V N 1.603 121.571 119.914 0.091 0.000 2.282 187 V HA -0.284 3.840 4.120 0.008 0.000 0.249 187 V C 2.559 178.726 176.094 0.123 0.000 1.057 187 V CA 1.283 63.636 62.300 0.090 0.000 1.032 187 V CB -0.394 31.480 31.823 0.084 0.000 0.645 187 V HN 0.207 nan 8.190 nan 0.000 0.447 188 M N -0.741 118.962 119.600 0.172 0.000 2.059 188 M HA -0.115 4.369 4.480 0.008 0.000 0.259 188 M C 2.262 178.734 176.300 0.287 0.000 1.072 188 M CA 1.857 57.314 55.300 0.262 0.000 1.117 188 M CB -1.302 31.511 32.600 0.356 0.000 1.320 188 M HN 0.261 nan 8.290 nan 0.000 0.408 189 L N -0.287 121.041 121.223 0.174 0.000 1.971 189 L HA -0.299 4.045 4.340 0.008 0.000 0.215 189 L C 2.632 179.510 176.870 0.014 0.000 1.072 189 L CA 1.596 56.402 54.840 -0.056 0.000 0.758 189 L CB -0.805 41.125 42.059 -0.216 0.000 0.889 189 L HN 0.350 nan 8.230 nan 0.000 0.433 190 Q N -0.568 119.249 119.800 0.028 0.000 2.133 190 Q HA -0.264 4.081 4.340 0.008 0.000 0.208 190 Q C 2.183 178.226 176.000 0.072 0.000 0.991 190 Q CA 2.091 57.916 55.803 0.036 0.000 0.867 190 Q CB -0.315 28.444 28.738 0.034 0.000 0.911 190 Q HN 0.585 nan 8.270 nan 0.000 0.417 191 A N -1.044 121.840 122.820 0.106 0.000 2.178 191 A HA -0.132 4.193 4.320 0.008 0.000 0.218 191 A C 1.567 179.235 177.584 0.140 0.000 1.157 191 A CA 1.077 53.183 52.037 0.115 0.000 0.689 191 A CB -0.187 18.890 19.000 0.128 0.000 0.787 191 A HN 0.524 nan 8.150 nan 0.000 0.465 192 C N -0.115 119.294 119.300 0.181 0.000 3.000 192 C HA 0.260 4.725 4.460 0.008 0.000 0.286 192 C C -0.157 174.972 174.990 0.232 0.000 1.343 192 C CA -0.483 58.677 59.018 0.237 0.000 1.742 192 C CB -0.913 27.079 27.740 0.419 0.000 2.200 192 C HN 0.664 nan 8.230 nan 0.000 0.621 193 D N 1.349 121.840 120.400 0.152 0.000 2.699 193 D HA -0.144 4.501 4.640 0.008 0.000 0.239 193 D C -0.388 175.991 176.300 0.132 0.000 1.136 193 D CA 1.011 55.107 54.000 0.161 0.000 0.668 193 D CB -1.095 39.849 40.800 0.240 0.000 1.060 193 D HN 0.482 nan 8.370 nan 0.000 0.429 194 L N -0.664 120.552 121.223 -0.012 0.000 2.350 194 L HA 0.635 4.980 4.340 0.008 0.000 0.260 194 L C 0.406 177.131 176.870 -0.241 0.000 1.015 194 L CA -0.737 53.989 54.840 -0.191 0.000 0.821 194 L CB 2.212 44.053 42.059 -0.363 0.000 1.370 194 L HN 0.060 nan 8.230 nan 0.000 0.416 195 S N -0.743 114.777 115.700 -0.300 0.000 2.627 195 S HA 0.504 4.979 4.470 0.008 0.000 0.283 195 S C 0.385 174.768 174.600 -0.362 0.000 1.127 195 S CA -1.032 57.008 58.200 -0.266 0.000 0.863 195 S CB 2.241 65.335 63.200 -0.176 0.000 1.121 195 S HN 0.614 nan 8.310 nan 0.000 0.479 196 R N 0.539 120.851 120.500 -0.312 0.000 2.174 196 R HA -0.157 4.188 4.340 0.008 0.000 0.253 196 R C 1.040 177.133 176.300 -0.345 0.000 1.165 196 R CA 1.865 57.741 56.100 -0.374 0.000 0.984 196 R CB -0.488 29.710 30.300 -0.170 0.000 0.873 196 R HN 0.666 nan 8.270 nan 0.000 0.456 197 D N 0.526 120.769 120.400 -0.262 0.000 2.221 197 D HA -0.162 4.483 4.640 0.008 0.000 0.204 197 D C 1.330 177.445 176.300 -0.310 0.000 0.982 197 D CA 1.288 55.144 54.000 -0.241 0.000 0.857 197 D CB 0.100 40.784 40.800 -0.194 0.000 0.934 197 D HN 0.433 nan 8.370 nan 0.000 0.475 198 Q N -1.092 118.486 119.800 -0.370 0.000 2.319 198 Q HA 0.105 4.450 4.340 0.008 0.000 0.202 198 Q C 0.292 176.023 176.000 -0.449 0.000 0.896 198 Q CA 0.044 55.612 55.803 -0.392 0.000 0.942 198 Q CB 0.686 29.189 28.738 -0.392 0.000 1.083 198 Q HN 0.128 nan 8.270 nan 0.000 0.510 199 M N 1.497 120.759 119.600 -0.564 0.000 2.478 199 M HA 0.405 4.890 4.480 0.008 0.000 0.327 199 M C -2.288 173.848 176.300 -0.273 0.000 1.187 199 M CA -2.620 52.278 55.300 -0.670 0.000 1.022 199 M CB 0.596 32.233 32.600 -1.604 0.000 1.629 199 M HN -0.144 nan 8.290 nan 0.000 0.461 200 P HA 0.346 nan 4.420 nan 0.000 0.279 200 P C -1.129 176.407 177.300 0.393 0.000 1.282 200 P CA -0.494 62.768 63.100 0.270 0.000 0.788 200 P CB 0.483 32.409 31.700 0.377 0.000 1.139 201 A N 0.694 123.738 122.820 0.375 0.000 2.340 201 A HA 0.462 4.787 4.320 0.008 0.000 0.268 201 A C 0.182 177.937 177.584 0.286 0.000 1.100 201 A CA -0.624 51.598 52.037 0.309 0.000 0.803 201 A CB -0.415 18.715 19.000 0.217 0.000 1.043 201 A HN 0.473 nan 8.150 nan 0.000 0.488 202 L N 1.862 123.112 121.223 0.046 0.000 2.292 202 L HA 0.463 4.807 4.340 0.008 0.000 0.284 202 L C -0.969 175.740 176.870 -0.269 0.000 1.065 202 L CA -0.125 54.663 54.840 -0.087 0.000 0.806 202 L CB 0.449 42.332 42.059 -0.293 0.000 1.175 202 L HN 0.723 nan 8.230 nan 0.000 0.431 203 Y N 0.653 120.927 120.300 -0.043 0.000 2.576 203 Y HA 0.378 4.933 4.550 0.008 0.000 0.346 203 Y C 0.073 175.927 175.900 -0.077 0.000 1.018 203 Y CA -1.109 56.964 58.100 -0.045 0.000 1.050 203 Y CB 1.529 39.980 38.460 -0.016 0.000 1.280 203 Y HN 0.411 nan 8.280 nan 0.000 0.474 204 E N 0.242 120.495 120.200 0.087 0.000 2.343 204 E HA 0.156 4.511 4.350 0.008 0.000 0.269 204 E C 0.998 177.606 176.600 0.015 0.000 1.047 204 E CA 0.321 56.716 56.400 -0.008 0.000 0.874 204 E CB 1.293 30.968 29.700 -0.042 0.000 1.033 204 E HN 0.961 nan 8.360 nan 0.000 0.409 205 G N 1.726 110.509 108.800 -0.027 0.000 2.503 205 G HA2 -0.317 3.648 3.960 0.008 0.000 0.221 205 G HA3 -0.317 3.648 3.960 0.008 0.000 0.221 205 G C 1.246 176.124 174.900 -0.037 0.000 1.131 205 G CA 1.432 46.514 45.100 -0.031 0.000 0.756 205 G HN 0.493 nan 8.290 nan 0.000 0.572 206 S N -0.331 115.343 115.700 -0.042 0.000 2.593 206 S HA 0.247 4.721 4.470 0.008 0.000 0.217 206 S C 0.488 175.076 174.600 -0.020 0.000 0.966 206 S CA -0.221 57.953 58.200 -0.043 0.000 0.914 206 S CB 0.272 63.438 63.200 -0.057 0.000 0.776 206 S HN 0.534 nan 8.310 nan 0.000 0.523 207 E N 1.128 121.332 120.200 0.008 0.000 2.301 207 E HA 0.385 4.740 4.350 0.008 0.000 0.275 207 E C -0.508 176.072 176.600 -0.033 0.000 1.030 207 E CA -0.516 55.909 56.400 0.041 0.000 0.852 207 E CB 1.033 30.835 29.700 0.170 0.000 1.060 207 E HN 0.377 nan 8.360 nan 0.000 0.401 208 I N 2.075 122.622 120.570 -0.037 0.000 2.588 208 I HA -0.048 4.127 4.170 0.008 0.000 0.283 208 I C 1.464 177.413 176.117 -0.280 0.000 1.119 208 I CA 0.387 61.622 61.300 -0.107 0.000 1.419 208 I CB 0.757 38.730 38.000 -0.045 0.000 1.394 208 I HN 0.676 nan 8.210 nan 0.000 0.562 209 T N 0.797 115.115 114.554 -0.392 0.000 3.044 209 T HA 0.518 4.873 4.350 0.008 0.000 0.260 209 T C 0.465 174.992 174.700 -0.288 0.000 1.019 209 T CA 0.068 61.777 62.100 -0.651 0.000 0.921 209 T CB 0.558 68.995 68.868 -0.718 0.000 1.053 209 T HN 0.914 nan 8.240 nan 0.000 0.533 210 G N 0.243 108.946 108.800 -0.161 0.000 2.341 210 G HA2 0.543 4.508 3.960 0.008 0.000 0.293 210 G HA3 0.543 4.508 3.960 0.008 0.000 0.293 210 G C -1.589 173.273 174.900 -0.064 0.000 1.298 210 G CA -0.380 44.666 45.100 -0.090 0.000 0.868 210 G HN 0.669 nan 8.290 nan 0.000 0.540 211 A N -1.007 121.783 122.820 -0.050 0.000 2.387 211 A HA 0.888 5.213 4.320 0.008 0.000 0.298 211 A C -0.177 177.381 177.584 -0.043 0.000 1.165 211 A CA -0.750 51.266 52.037 -0.035 0.000 0.814 211 A CB 1.022 20.006 19.000 -0.027 0.000 1.357 211 A HN 1.087 nan 8.150 nan 0.000 0.443 212 L N 1.172 122.376 121.223 -0.031 0.000 2.367 212 L HA 0.201 4.545 4.340 0.008 0.000 0.275 212 L C -0.270 176.548 176.870 -0.087 0.000 1.129 212 L CA -0.216 54.590 54.840 -0.055 0.000 0.839 212 L CB 0.317 42.356 42.059 -0.033 0.000 1.133 212 L HN 0.559 nan 8.230 nan 0.000 0.453 213 L N 5.410 126.559 121.223 -0.123 0.000 2.559 213 L HA -0.048 4.297 4.340 0.008 0.000 0.282 213 L C -1.233 175.566 176.870 -0.118 0.000 1.232 213 L CA -1.095 53.672 54.840 -0.122 0.000 0.885 213 L CB 0.013 41.981 42.059 -0.151 0.000 1.131 213 L HN 0.447 nan 8.230 nan 0.000 0.498 214 P HA -0.208 nan 4.420 nan 0.000 0.216 214 P C 0.971 178.217 177.300 -0.090 0.000 1.154 214 P CA 1.207 64.263 63.100 -0.073 0.000 0.865 214 P CB 0.254 31.922 31.700 -0.053 0.000 0.789 215 E N -0.554 119.586 120.200 -0.100 0.000 2.021 215 E HA -0.161 4.194 4.350 0.008 0.000 0.200 215 E C 2.069 178.568 176.600 -0.168 0.000 1.015 215 E CA 1.294 57.631 56.400 -0.104 0.000 0.824 215 E CB -1.724 27.920 29.700 -0.094 0.000 0.762 215 E HN 0.017 nan 8.360 nan 0.000 0.454 216 V N 1.454 121.217 119.914 -0.252 0.000 2.282 216 V HA -0.337 3.788 4.120 0.008 0.000 0.249 216 V C 2.296 178.087 176.094 -0.505 0.000 1.057 216 V CA 2.068 64.059 62.300 -0.514 0.000 1.032 216 V CB -1.225 30.252 31.823 -0.577 0.000 0.645 216 V HN 0.385 nan 8.190 nan 0.000 0.447 217 A N -0.322 122.345 122.820 -0.255 0.000 1.892 217 A HA -0.331 3.994 4.320 0.008 0.000 0.218 217 A C 2.395 179.952 177.584 -0.044 0.000 1.188 217 A CA 2.539 54.518 52.037 -0.097 0.000 0.631 217 A CB -0.561 18.407 19.000 -0.053 0.000 0.822 217 A HN 0.548 nan 8.150 nan 0.000 0.447 218 K N -0.683 119.676 120.400 -0.067 0.000 2.057 218 K HA -0.010 4.315 4.320 0.008 0.000 0.206 218 K C 2.137 178.734 176.600 -0.005 0.000 1.050 218 K CA 1.016 57.288 56.287 -0.024 0.000 0.935 218 K CB -0.297 32.185 32.500 -0.030 0.000 0.715 218 K HN 0.384 nan 8.250 nan 0.000 0.439 219 A N 0.137 122.915 122.820 -0.069 0.000 2.070 219 A HA -0.141 4.184 4.320 0.008 0.000 0.220 219 A C 1.029 178.731 177.584 0.196 0.000 1.159 219 A CA 1.007 53.037 52.037 -0.012 0.000 0.656 219 A CB -0.462 18.464 19.000 -0.123 0.000 0.800 219 A HN 0.489 nan 8.150 nan 0.000 0.453 220 W N -1.420 119.879 121.300 -0.001 0.000 3.127 220 W HA 0.414 5.079 4.660 0.008 0.000 0.344 220 W C 1.316 177.828 176.519 -0.013 0.000 1.151 220 W CA -0.228 57.108 57.345 -0.014 0.000 1.765 220 W CB -0.879 28.573 29.460 -0.014 0.000 1.085 220 W HN 0.576 nan 8.180 nan 0.000 0.596 221 G N 2.369 111.281 108.800 0.187 0.000 2.225 221 G HA2 -0.247 3.717 3.960 0.008 0.000 0.264 221 G HA3 -0.247 3.717 3.960 0.008 0.000 0.264 221 G C 0.015 174.972 174.900 0.095 0.000 1.060 221 G CA 0.637 45.801 45.100 0.107 0.000 0.833 221 G HN 0.248 nan 8.290 nan 0.000 0.498 222 M N -2.357 117.306 119.600 0.106 0.000 2.622 222 M HA 0.862 5.346 4.480 0.008 0.000 0.276 222 M C 0.217 176.547 176.300 0.051 0.000 1.265 222 M CA -0.664 54.684 55.300 0.080 0.000 0.850 222 M CB 1.273 33.942 32.600 0.114 0.000 1.720 222 M HN 1.004 nan 8.290 nan 0.000 0.465 223 A N 0.445 123.283 122.820 0.030 0.000 2.292 223 A HA 0.515 4.840 4.320 0.008 0.000 0.265 223 A C 0.716 178.308 177.584 0.014 0.000 1.133 223 A CA 0.149 52.194 52.037 0.013 0.000 0.807 223 A CB -0.212 18.790 19.000 0.002 0.000 1.102 223 A HN 0.932 nan 8.150 nan 0.000 0.502 224 T N -0.474 114.079 114.554 -0.001 0.000 4.320 224 T HA 0.329 4.684 4.350 0.008 0.000 0.221 224 T C 0.121 174.821 174.700 0.000 0.000 0.896 224 T CA -0.401 61.694 62.100 -0.008 0.000 0.928 224 T CB -1.478 67.379 68.868 -0.019 0.000 1.369 224 T HN 0.408 nan 8.240 nan 0.000 0.836 225 V N 4.483 124.407 119.914 0.016 0.000 2.720 225 V HA 0.114 4.238 4.120 0.008 0.000 0.307 225 V C -1.407 174.698 176.094 0.019 0.000 1.071 225 V CA -1.225 61.088 62.300 0.022 0.000 1.199 225 V CB 0.121 31.970 31.823 0.042 0.000 0.900 225 V HN 0.596 nan 8.190 nan 0.000 0.494 226 P HA 0.202 nan 4.420 nan 0.000 0.274 226 P C -0.981 176.323 177.300 0.006 0.000 1.231 226 P CA -0.113 62.987 63.100 0.001 0.000 0.790 226 P CB 1.059 32.760 31.700 0.002 0.000 0.951 227 V N 3.445 123.346 119.914 -0.021 0.000 2.407 227 V HA 0.166 4.291 4.120 0.008 0.000 0.291 227 V C 0.793 176.845 176.094 -0.071 0.000 1.018 227 V CA -0.824 61.462 62.300 -0.024 0.000 0.842 227 V CB 1.529 33.340 31.823 -0.019 0.000 0.996 227 V HN 0.451 nan 8.190 nan 0.000 0.426 228 V N 3.044 122.926 119.914 -0.053 0.000 3.133 228 V HA 0.658 4.783 4.120 0.008 0.000 0.305 228 V C 1.534 177.569 176.094 -0.098 0.000 1.084 228 V CA 0.645 62.897 62.300 -0.079 0.000 1.089 228 V CB 0.813 32.607 31.823 -0.048 0.000 1.073 228 V HN 0.878 nan 8.190 nan 0.000 0.477 229 A N 1.923 124.677 122.820 -0.109 0.000 1.865 229 A HA 0.361 4.686 4.320 0.008 0.000 0.217 229 A C 1.882 179.441 177.584 -0.041 0.000 1.191 229 A CA 2.318 54.309 52.037 -0.078 0.000 0.623 229 A CB -1.348 17.647 19.000 -0.009 0.000 0.826 229 A HN 2.855 nan 8.150 nan 0.000 0.444 230 G N -2.591 106.186 108.800 -0.039 0.000 2.512 230 G HA2 0.400 4.365 3.960 0.008 0.000 0.240 230 G HA3 0.400 4.365 3.960 0.008 0.000 0.240 230 G C 0.388 175.269 174.900 -0.033 0.000 1.246 230 G CA -0.095 44.981 45.100 -0.039 0.000 0.919 230 G HN 2.122 nan 8.290 nan 0.000 0.577 231 G N -1.711 107.065 108.800 -0.041 0.000 2.623 231 G HA2 0.812 4.776 3.960 0.008 0.000 0.290 231 G HA3 0.812 4.776 3.960 0.008 0.000 0.290 231 G C 0.116 174.970 174.900 -0.076 0.000 1.437 231 G CA 0.573 45.648 45.100 -0.040 0.000 0.798 231 G HN 1.968 nan 8.290 nan 0.000 0.488 232 G N -0.667 108.071 108.800 -0.103 0.000 2.569 232 G HA2 0.398 4.362 3.960 0.008 0.000 0.249 232 G HA3 0.398 4.362 3.960 0.008 0.000 0.249 232 G C 0.968 175.776 174.900 -0.153 0.000 1.216 232 G CA 0.777 45.776 45.100 -0.168 0.000 0.845 232 G HN 0.774 nan 8.290 nan 0.000 0.568 233 D N 1.154 121.442 120.400 -0.187 0.000 2.154 233 D HA -0.281 4.364 4.640 0.008 0.000 0.190 233 D C 1.694 177.898 176.300 -0.160 0.000 1.003 233 D CA 1.922 55.818 54.000 -0.174 0.000 0.849 233 D CB -0.292 40.384 40.800 -0.208 0.000 0.942 233 D HN 0.360 nan 8.370 nan 0.000 0.446 234 N N 1.224 119.836 118.700 -0.147 0.000 2.013 234 N HA -0.166 4.578 4.740 0.008 0.000 0.195 234 N C 2.079 177.483 175.510 -0.177 0.000 1.051 234 N CA 2.085 55.061 53.050 -0.123 0.000 0.851 234 N CB -0.875 37.628 38.487 0.026 0.000 1.044 234 N HN 0.411 nan 8.380 nan 0.000 0.422 235 A N 1.191 123.973 122.820 -0.064 0.000 1.917 235 A HA -0.057 4.268 4.320 0.008 0.000 0.219 235 A C 2.360 179.961 177.584 0.028 0.000 1.182 235 A CA 2.350 54.387 52.037 -0.001 0.000 0.633 235 A CB -0.888 18.209 19.000 0.162 0.000 0.819 235 A HN 0.403 nan 8.150 nan 0.000 0.448 236 A N -0.838 121.960 122.820 -0.036 0.000 2.066 236 A HA 0.247 4.572 4.320 0.008 0.000 0.218 236 A C 2.276 179.796 177.584 -0.106 0.000 1.157 236 A CA 1.590 53.594 52.037 -0.056 0.000 0.670 236 A CB -1.073 17.885 19.000 -0.071 0.000 0.804 236 A HN 0.675 nan 8.150 nan 0.000 0.453 237 G N -0.225 108.479 108.800 -0.160 0.000 2.414 237 G HA2 0.034 3.999 3.960 0.008 0.000 0.215 237 G HA3 0.034 3.999 3.960 0.008 0.000 0.215 237 G C 1.757 176.500 174.900 -0.262 0.000 1.188 237 G CA 1.231 46.208 45.100 -0.205 0.000 0.783 237 G HN 0.711 nan 8.290 nan 0.000 0.537 238 A N 0.140 122.716 122.820 -0.406 0.000 1.902 238 A HA 0.079 4.404 4.320 0.008 0.000 0.217 238 A C 2.606 180.093 177.584 -0.161 0.000 1.181 238 A CA 1.820 53.588 52.037 -0.448 0.000 0.623 238 A CB -0.658 17.804 19.000 -0.896 0.000 0.818 238 A HN 0.262 nan 8.150 nan 0.000 0.443 239 V N 0.006 119.886 119.914 -0.057 0.000 2.287 239 V HA -0.236 3.889 4.120 0.008 0.000 0.248 239 V C 2.776 178.813 176.094 -0.094 0.000 1.053 239 V CA 2.112 64.373 62.300 -0.065 0.000 1.027 239 V CB -1.470 30.309 31.823 -0.072 0.000 0.646 239 V HN 0.614 nan 8.190 nan 0.000 0.447 240 G N -1.375 107.363 108.800 -0.103 0.000 2.471 240 G HA2 -0.141 3.824 3.960 0.008 0.000 0.219 240 G HA3 -0.141 3.824 3.960 0.008 0.000 0.219 240 G C 1.435 176.275 174.900 -0.100 0.000 1.125 240 G CA 0.991 46.031 45.100 -0.100 0.000 0.775 240 G HN 0.429 nan 8.290 nan 0.000 0.548 241 V N 0.060 119.905 119.914 -0.115 0.000 3.542 241 V HA 0.459 4.584 4.120 0.008 0.000 0.296 241 V C 1.780 177.820 176.094 -0.091 0.000 1.364 241 V CA 1.171 63.405 62.300 -0.110 0.000 1.118 241 V CB -0.297 31.444 31.823 -0.136 0.000 0.972 241 V HN 0.768 nan 8.190 nan 0.000 0.430 242 G N 0.838 109.590 108.800 -0.080 0.000 2.159 242 G HA2 -0.312 3.653 3.960 0.008 0.000 0.256 242 G HA3 -0.312 3.653 3.960 0.008 0.000 0.256 242 G C 0.191 175.074 174.900 -0.028 0.000 0.977 242 G CA 0.449 45.516 45.100 -0.056 0.000 0.652 242 G HN 0.460 nan 8.290 nan 0.000 0.531 243 M N 1.642 121.223 119.600 -0.032 0.000 3.011 243 M HA 0.592 5.077 4.480 0.008 0.000 0.292 243 M C 1.077 177.485 176.300 0.180 0.000 1.440 243 M CA -0.022 55.300 55.300 0.035 0.000 1.552 243 M CB 0.557 33.112 32.600 -0.076 0.000 1.187 243 M HN 0.035 nan 8.290 nan 0.000 0.520 244 V N 0.472 120.459 119.914 0.122 0.000 3.137 244 V HA 0.167 4.291 4.120 0.008 0.000 0.236 244 V C 0.570 176.734 176.094 0.118 0.000 1.260 244 V CA 0.374 62.732 62.300 0.096 0.000 1.244 244 V CB 0.215 32.014 31.823 -0.041 0.000 1.016 244 V HN 0.486 nan 8.190 nan 0.000 0.477 245 D N 1.152 121.603 120.400 0.086 0.000 2.354 245 D HA 0.441 5.086 4.640 0.008 0.000 0.247 245 D C 0.291 176.655 176.300 0.107 0.000 1.138 245 D CA 0.382 54.431 54.000 0.082 0.000 0.958 245 D CB 1.442 42.270 40.800 0.047 0.000 1.144 245 D HN 0.292 nan 8.370 nan 0.000 0.458 246 A N 1.519 124.397 122.820 0.097 0.000 2.555 246 A HA -0.035 4.289 4.320 0.008 0.000 0.233 246 A C 0.970 178.592 177.584 0.062 0.000 1.060 246 A CA -0.037 52.054 52.037 0.090 0.000 0.759 246 A CB -0.126 18.918 19.000 0.074 0.000 0.995 246 A HN 0.737 nan 8.150 nan 0.000 0.506 247 N N -0.773 117.957 118.700 0.052 0.000 2.778 247 N HA -0.170 4.575 4.740 0.008 0.000 0.249 247 N C -0.119 175.415 175.510 0.040 0.000 1.069 247 N CA 1.703 54.771 53.050 0.029 0.000 0.831 247 N CB -1.159 37.331 38.487 0.005 0.000 1.142 247 N HN 0.874 nan 8.380 nan 0.000 0.573 248 Q N 0.069 119.908 119.800 0.065 0.000 2.259 248 Q HA 0.669 5.014 4.340 0.008 0.000 0.249 248 Q C -0.026 176.023 176.000 0.081 0.000 0.914 248 Q CA 0.071 55.918 55.803 0.073 0.000 0.904 248 Q CB 1.454 30.244 28.738 0.088 0.000 1.213 248 Q HN 0.372 nan 8.270 nan 0.000 0.428 249 A N 2.676 125.543 122.820 0.079 0.000 2.587 249 A HA 0.813 5.137 4.320 0.008 0.000 0.293 249 A C -1.211 176.426 177.584 0.089 0.000 1.087 249 A CA -0.852 51.210 52.037 0.042 0.000 0.692 249 A CB 1.511 20.525 19.000 0.023 0.000 1.291 249 A HN 0.762 nan 8.150 nan 0.000 0.407 250 M N 0.497 120.136 119.600 0.065 0.000 2.484 250 M HA 0.841 5.325 4.480 0.008 0.000 0.289 250 M C -1.781 174.661 176.300 0.237 0.000 1.206 250 M CA -0.702 54.671 55.300 0.121 0.000 0.892 250 M CB 1.906 34.520 32.600 0.023 0.000 1.712 250 M HN 0.570 nan 8.290 nan 0.000 0.462 251 L N 1.651 123.020 121.223 0.243 0.000 2.346 251 L HA 0.784 5.129 4.340 0.008 0.000 0.276 251 L C -1.128 175.810 176.870 0.113 0.000 1.006 251 L CA 0.176 55.156 54.840 0.235 0.000 0.817 251 L CB 2.454 44.600 42.059 0.146 0.000 1.272 251 L HN 0.897 nan 8.230 nan 0.000 0.421 252 S N 5.669 121.428 115.700 0.098 0.000 2.449 252 S HA 0.723 5.198 4.470 0.008 0.000 0.310 252 S C -0.817 173.828 174.600 0.076 0.000 1.096 252 S CA -0.555 57.686 58.200 0.069 0.000 1.095 252 S CB 1.038 64.263 63.200 0.042 0.000 1.007 252 S HN 0.488 nan 8.310 nan 0.000 0.474 253 L N 2.785 124.063 121.223 0.091 0.000 2.349 253 L HA 0.872 5.217 4.340 0.008 0.000 0.278 253 L C 0.332 177.287 176.870 0.142 0.000 0.996 253 L CA -0.516 54.400 54.840 0.126 0.000 0.825 253 L CB 1.772 43.918 42.059 0.145 0.000 1.243 253 L HN 0.833 nan 8.230 nan 0.000 0.412 254 G N 0.036 108.917 108.800 0.135 0.000 2.673 254 G HA2 0.418 4.383 3.960 0.008 0.000 0.292 254 G HA3 0.418 4.383 3.960 0.008 0.000 0.292 254 G C -0.056 174.899 174.900 0.093 0.000 1.450 254 G CA -0.342 44.817 45.100 0.099 0.000 0.837 254 G HN 0.455 nan 8.290 nan 0.000 0.505 255 T N -1.015 113.584 114.554 0.075 0.000 3.324 255 T HA 0.458 4.813 4.350 0.008 0.000 0.250 255 T C 0.445 175.187 174.700 0.070 0.000 1.059 255 T CA 0.259 62.403 62.100 0.073 0.000 0.951 255 T CB -0.559 68.349 68.868 0.066 0.000 1.030 255 T HN 0.993 nan 8.240 nan 0.000 0.576 256 S N -0.278 115.463 115.700 0.069 0.000 2.542 256 S HA 0.559 5.034 4.470 0.008 0.000 0.276 256 S C 0.013 174.659 174.600 0.076 0.000 1.148 256 S CA -1.181 57.061 58.200 0.070 0.000 0.886 256 S CB 0.978 64.215 63.200 0.060 0.000 1.109 256 S HN 0.338 nan 8.310 nan 0.000 0.458 257 G N 0.910 109.761 108.800 0.084 0.000 2.563 257 G HA2 0.427 4.392 3.960 0.008 0.000 0.295 257 G HA3 0.427 4.392 3.960 0.008 0.000 0.295 257 G C -0.261 174.687 174.900 0.080 0.000 0.874 257 G CA -0.105 45.043 45.100 0.080 0.000 1.642 257 G HN 0.923 nan 8.290 nan 0.000 0.483 258 V N 4.511 124.482 119.914 0.094 0.000 2.459 258 V HA 0.633 4.758 4.120 0.008 0.000 0.295 258 V C -1.371 174.847 176.094 0.206 0.000 1.029 258 V CA -1.302 61.071 62.300 0.122 0.000 0.874 258 V CB 1.521 33.399 31.823 0.092 0.000 0.985 258 V HN 0.517 nan 8.190 nan 0.000 0.438 259 Y N 7.477 127.812 120.300 0.058 0.000 2.331 259 Y HA 0.590 5.146 4.550 0.009 0.000 0.338 259 Y C -0.933 175.054 175.900 0.144 0.000 0.976 259 Y CA -1.577 56.567 58.100 0.073 0.000 1.137 259 Y CB 1.456 39.921 38.460 0.009 0.000 1.172 259 Y HN 0.691 nan 8.280 nan 0.000 0.478 260 F N 5.250 125.016 119.950 -0.305 0.000 2.493 260 F HA 0.829 5.361 4.527 0.008 0.000 0.329 260 F C -1.249 174.303 175.800 -0.412 0.000 1.126 260 F CA -0.638 57.197 58.000 -0.275 0.000 0.937 260 F CB 1.076 39.948 39.000 -0.213 0.000 1.146 260 F HN 0.599 nan 8.300 nan 0.000 0.442 261 A N 5.450 127.956 122.820 -0.524 0.000 2.427 261 A HA 0.649 4.974 4.320 0.008 0.000 0.298 261 A C -1.727 175.716 177.584 -0.236 0.000 1.036 261 A CA -0.703 51.158 52.037 -0.292 0.000 0.701 261 A CB 1.380 20.202 19.000 -0.297 0.000 1.250 261 A HN 0.569 nan 8.150 nan 0.000 0.412 262 V N 3.030 122.938 119.914 -0.010 0.000 2.508 262 V HA 0.441 4.566 4.120 0.008 0.000 0.281 262 V C 0.890 177.037 176.094 0.088 0.000 1.041 262 V CA 0.496 62.857 62.300 0.103 0.000 1.016 262 V CB 0.799 32.761 31.823 0.232 0.000 0.984 262 V HN 1.081 nan 8.190 nan 0.000 0.478 263 S N 3.283 119.052 115.700 0.116 0.000 2.747 263 S HA 0.566 5.041 4.470 0.008 0.000 0.300 263 S C -0.371 174.301 174.600 0.119 0.000 1.121 263 S CA -0.842 57.406 58.200 0.079 0.000 0.995 263 S CB 1.764 64.980 63.200 0.025 0.000 1.113 263 S HN 0.752 nan 8.310 nan 0.000 0.547 264 E N 0.404 120.630 120.200 0.044 0.000 2.035 264 E HA 0.493 4.847 4.350 0.008 0.000 0.271 264 E C 0.470 177.027 176.600 -0.071 0.000 0.953 264 E CA 0.095 56.517 56.400 0.036 0.000 0.777 264 E CB -0.261 29.443 29.700 0.006 0.000 1.104 264 E HN 1.167 nan 8.360 nan 0.000 0.408 265 G N 3.405 112.131 108.800 -0.123 0.000 2.828 265 G HA2 -0.310 3.655 3.960 0.008 0.000 0.463 265 G HA3 -0.310 3.655 3.960 0.008 0.000 0.463 265 G C -0.740 173.719 174.900 -0.736 0.000 1.394 265 G CA -0.367 44.363 45.100 -0.616 0.000 0.862 265 G HN 0.549 nan 8.290 nan 0.000 0.540 266 F N 1.179 120.409 119.950 -1.200 0.000 2.471 266 F HA 0.687 5.219 4.527 0.008 0.000 0.365 266 F C 0.430 175.997 175.800 -0.388 0.000 1.095 266 F CA -0.897 56.597 58.000 -0.844 0.000 1.174 266 F CB 0.014 38.555 39.000 -0.765 0.000 1.105 266 F HN 0.491 nan 8.300 nan 0.000 0.535 267 L N 5.348 126.187 121.223 -0.638 0.000 2.319 267 L HA 0.767 5.112 4.340 0.008 0.000 0.267 267 L C -0.425 176.034 176.870 -0.685 0.000 1.011 267 L CA -0.920 53.546 54.840 -0.624 0.000 0.818 267 L CB 2.174 44.053 42.059 -0.301 0.000 1.316 267 L HN 0.732 nan 8.230 nan 0.000 0.432 268 S N 0.588 115.969 115.700 -0.532 0.000 2.586 268 S HA 0.448 4.922 4.470 0.008 0.000 0.277 268 S C -1.179 173.286 174.600 -0.226 0.000 1.131 268 S CA -0.938 57.049 58.200 -0.355 0.000 0.848 268 S CB 1.951 64.925 63.200 -0.377 0.000 1.091 268 S HN 0.679 nan 8.310 nan 0.000 0.453 269 K N 2.107 122.416 120.400 -0.152 0.000 3.088 269 K HA 0.384 4.709 4.320 0.008 0.000 0.193 269 K C -2.576 173.971 176.600 -0.089 0.000 1.176 269 K CA -1.718 54.505 56.287 -0.107 0.000 0.907 269 K CB 0.779 33.229 32.500 -0.084 0.000 1.139 269 K HN 0.332 nan 8.250 nan 0.000 0.597 270 P HA -0.222 nan 4.420 nan 0.000 0.214 270 P C 0.223 177.484 177.300 -0.066 0.000 1.172 270 P CA 1.431 64.483 63.100 -0.079 0.000 0.925 270 P CB 0.287 31.957 31.700 -0.050 0.000 0.793 271 E N -0.398 119.775 120.200 -0.046 0.000 2.501 271 E HA -0.055 4.300 4.350 0.008 0.000 0.203 271 E C 0.923 177.507 176.600 -0.026 0.000 1.072 271 E CA 0.441 56.822 56.400 -0.032 0.000 0.885 271 E CB -0.779 28.907 29.700 -0.023 0.000 0.813 271 E HN 0.400 nan 8.360 nan 0.000 0.556 272 S N -1.507 114.174 115.700 -0.032 0.000 2.776 272 S HA 0.658 5.133 4.470 0.008 0.000 0.306 272 S C 1.007 175.611 174.600 0.006 0.000 1.114 272 S CA -0.402 57.788 58.200 -0.016 0.000 0.973 272 S CB 1.387 64.575 63.200 -0.020 0.000 1.250 272 S HN -0.028 nan 8.310 nan 0.000 0.549 273 A N 0.014 122.853 122.820 0.031 0.000 2.302 273 A HA 0.493 4.818 4.320 0.008 0.000 0.219 273 A C 0.291 177.974 177.584 0.164 0.000 1.243 273 A CA -0.258 51.833 52.037 0.090 0.000 0.856 273 A CB -0.835 18.197 19.000 0.053 0.000 0.893 273 A HN 0.605 nan 8.150 nan 0.000 0.491 274 V N 1.346 121.319 119.914 0.098 0.000 2.432 274 V HA 0.257 4.381 4.120 0.008 0.000 0.275 274 V C -0.450 175.691 176.094 0.079 0.000 1.043 274 V CA -0.422 61.938 62.300 0.101 0.000 0.925 274 V CB 0.488 32.316 31.823 0.008 0.000 0.985 274 V HN 0.512 nan 8.190 nan 0.000 0.466 275 H N 1.865 120.895 119.070 -0.066 0.000 2.459 275 H HA 0.592 5.152 4.556 0.008 0.000 0.332 275 H C 0.002 175.097 175.328 -0.388 0.000 1.094 275 H CA -0.014 55.918 56.048 -0.193 0.000 1.224 275 H CB 1.753 31.494 29.762 -0.036 0.000 1.449 275 H HN 0.647 nan 8.280 nan 0.000 0.484 276 S N 3.447 118.828 115.700 -0.532 0.000 2.501 276 S HA 0.755 5.230 4.470 0.008 0.000 0.301 276 S C -1.209 172.904 174.600 -0.813 0.000 1.096 276 S CA -0.395 57.529 58.200 -0.460 0.000 1.063 276 S CB 0.200 63.336 63.200 -0.107 0.000 1.042 276 S HN 0.476 nan 8.310 nan 0.000 0.494 277 F N 0.817 120.640 119.950 -0.212 0.000 2.745 277 F HA 0.436 4.968 4.527 0.008 0.000 0.316 277 F C -0.211 175.498 175.800 -0.152 0.000 1.155 277 F CA -1.190 56.671 58.000 -0.232 0.000 0.937 277 F CB 1.157 39.932 39.000 -0.375 0.000 1.361 277 F HN 0.449 nan 8.300 nan 0.000 0.472 278 C N 1.091 120.463 119.300 0.121 0.000 2.459 278 C HA 0.369 4.833 4.460 0.008 0.000 0.374 278 C C 0.505 175.534 174.990 0.066 0.000 1.241 278 C CA -0.207 58.735 59.018 -0.126 0.000 2.352 278 C CB 0.031 27.609 27.740 -0.269 0.000 2.490 278 C HN 0.602 nan 8.230 nan 0.000 0.583 279 H N 0.451 119.492 119.070 -0.049 0.000 2.497 279 H HA 0.439 4.999 4.556 0.008 0.000 0.348 279 H C 0.510 175.829 175.328 -0.014 0.000 1.335 279 H CA -0.137 55.986 56.048 0.125 0.000 1.395 279 H CB 1.129 30.970 29.762 0.133 0.000 1.658 279 H HN 0.642 nan 8.280 nan 0.000 0.613 280 A N 2.226 125.286 122.820 0.400 0.000 2.359 280 A HA 0.305 4.630 4.320 0.008 0.000 0.240 280 A C -0.037 177.479 177.584 -0.113 0.000 1.306 280 A CA -0.017 52.056 52.037 0.061 0.000 0.898 280 A CB -0.669 18.376 19.000 0.074 0.000 0.956 280 A HN 0.372 nan 8.150 nan 0.000 0.497 281 L N -1.020 120.094 121.223 -0.182 0.000 2.376 281 L HA 0.415 4.759 4.340 0.008 0.000 0.258 281 L C -2.762 174.005 176.870 -0.172 0.000 1.013 281 L CA -2.623 52.103 54.840 -0.190 0.000 0.822 281 L CB 2.489 44.394 42.059 -0.256 0.000 1.388 281 L HN -0.102 nan 8.230 nan 0.000 0.413 282 P HA -0.017 nan 4.420 nan 0.000 0.265 282 P C -0.678 176.535 177.300 -0.144 0.000 1.187 282 P CA 0.124 63.142 63.100 -0.136 0.000 0.766 282 P CB 0.249 31.903 31.700 -0.078 0.000 0.820 283 Q N -0.249 119.428 119.800 -0.204 0.000 2.408 283 Q HA -0.253 4.092 4.340 0.008 0.000 0.290 283 Q C -0.511 175.479 176.000 -0.016 0.000 1.221 283 Q CA 1.436 57.172 55.803 -0.112 0.000 0.895 283 Q CB -1.479 27.320 28.738 0.102 0.000 1.241 283 Q HN 0.596 nan 8.270 nan 0.000 0.494 284 R N -0.968 119.358 120.500 -0.291 0.000 2.628 284 R HA 0.610 4.955 4.340 0.008 0.000 0.288 284 R C -0.364 175.939 176.300 0.005 0.000 0.980 284 R CA -0.494 55.652 56.100 0.076 0.000 0.891 284 R CB 1.801 32.145 30.300 0.075 0.000 1.188 284 R HN 0.109 nan 8.270 nan 0.000 0.450 285 W N 2.421 123.824 121.300 0.171 0.000 2.929 285 W HA 0.385 5.050 4.660 0.008 0.000 0.345 285 W C 0.098 176.684 176.519 0.112 0.000 1.151 285 W CA -0.532 56.896 57.345 0.138 0.000 1.111 285 W CB 2.003 31.529 29.460 0.110 0.000 1.449 285 W HN 0.604 nan 8.180 nan 0.000 0.572 286 H N -0.565 118.607 119.070 0.169 0.000 3.008 286 H HA 0.688 5.249 4.556 0.008 0.000 0.354 286 H C -2.128 173.093 175.328 -0.178 0.000 1.252 286 H CA -0.876 55.064 56.048 -0.180 0.000 1.117 286 H CB 1.830 31.184 29.762 -0.680 0.000 1.857 286 H HN 0.290 nan 8.280 nan 0.000 0.547 287 L N 2.003 123.124 121.223 -0.169 0.000 2.333 287 L HA 0.599 4.944 4.340 0.008 0.000 0.263 287 L C -0.203 176.618 176.870 -0.083 0.000 1.014 287 L CA -0.793 53.964 54.840 -0.139 0.000 0.820 287 L CB 2.091 44.086 42.059 -0.106 0.000 1.352 287 L HN 0.909 nan 8.230 nan 0.000 0.421 288 M N -0.521 119.091 119.600 0.019 0.000 2.534 288 M HA 0.726 5.211 4.480 0.008 0.000 0.280 288 M C -1.444 174.926 176.300 0.118 0.000 1.217 288 M CA -0.409 54.931 55.300 0.067 0.000 0.893 288 M CB 2.279 34.981 32.600 0.170 0.000 1.730 288 M HN 0.300 nan 8.290 nan 0.000 0.483 289 S N 1.430 117.211 115.700 0.136 0.000 2.557 289 S HA 0.703 5.178 4.470 0.008 0.000 0.291 289 S C -0.813 173.851 174.600 0.107 0.000 1.116 289 S CA -0.597 57.676 58.200 0.123 0.000 0.992 289 S CB 2.102 65.378 63.200 0.126 0.000 1.028 289 S HN 0.574 nan 8.310 nan 0.000 0.484 290 V N 5.477 125.424 119.914 0.056 0.000 2.811 290 V HA 0.399 4.524 4.120 0.008 0.000 0.302 290 V C 0.348 176.469 176.094 0.044 0.000 1.063 290 V CA 0.311 62.641 62.300 0.049 0.000 1.088 290 V CB 1.115 32.954 31.823 0.025 0.000 0.982 290 V HN 0.907 nan 8.190 nan 0.000 0.485 291 M N 2.315 121.942 119.600 0.045 0.000 3.022 291 M HA 0.538 5.023 4.480 0.008 0.000 0.289 291 M C -0.714 175.613 176.300 0.044 0.000 1.256 291 M CA -0.778 54.539 55.300 0.027 0.000 0.750 291 M CB 1.344 33.948 32.600 0.007 0.000 1.788 291 M HN 0.326 nan 8.290 nan 0.000 0.428 292 L N 0.221 121.475 121.223 0.051 0.000 2.472 292 L HA 0.080 4.425 4.340 0.008 0.000 0.273 292 L C 0.642 177.573 176.870 0.102 0.000 1.254 292 L CA 0.261 55.153 54.840 0.086 0.000 0.823 292 L CB 0.076 42.203 42.059 0.113 0.000 1.096 292 L HN 0.896 nan 8.230 nan 0.000 0.521 293 S N -0.477 115.294 115.700 0.118 0.000 3.362 293 S HA -0.123 4.352 4.470 0.008 0.000 0.278 293 S C 0.130 174.819 174.600 0.149 0.000 1.288 293 S CA 0.445 58.719 58.200 0.123 0.000 0.850 293 S CB -0.935 62.335 63.200 0.117 0.000 1.062 293 S HN 0.875 nan 8.310 nan 0.000 0.671 294 A N -0.267 122.658 122.820 0.174 0.000 3.293 294 A HA 0.815 5.139 4.320 0.008 0.000 0.282 294 A C 1.078 178.744 177.584 0.136 0.000 1.394 294 A CA 0.715 52.863 52.037 0.184 0.000 1.118 294 A CB -0.406 18.859 19.000 0.441 0.000 1.133 294 A HN 1.047 nan 8.150 nan 0.000 0.627 295 A N -0.568 122.317 122.820 0.108 0.000 1.865 295 A HA 0.287 4.612 4.320 0.008 0.000 0.204 295 A C 2.092 179.730 177.584 0.090 0.000 1.791 295 A CA 1.128 53.213 52.037 0.079 0.000 1.067 295 A CB -0.856 18.196 19.000 0.086 0.000 1.069 295 A HN 0.877 nan 8.150 nan 0.000 0.556 296 S N -0.080 115.687 115.700 0.112 0.000 2.389 296 S HA -0.324 4.151 4.470 0.008 0.000 0.229 296 S C 2.007 176.726 174.600 0.199 0.000 1.048 296 S CA 2.329 60.614 58.200 0.142 0.000 1.117 296 S CB -1.241 62.035 63.200 0.127 0.000 1.020 296 S HN 0.940 nan 8.310 nan 0.000 0.430 297 C N 0.047 119.466 119.300 0.198 0.000 2.401 297 C HA 0.058 4.523 4.460 0.008 0.000 0.286 297 C C 2.369 177.523 174.990 0.273 0.000 1.332 297 C CA 1.166 60.344 59.018 0.267 0.000 1.795 297 C CB -1.551 26.320 27.740 0.218 0.000 1.922 297 C HN 0.704 nan 8.230 nan 0.000 0.520 298 L N -0.949 120.355 121.223 0.135 0.000 2.537 298 L HA 0.193 4.538 4.340 0.008 0.000 0.224 298 L C 2.198 179.080 176.870 0.021 0.000 1.065 298 L CA 0.976 55.819 54.840 0.005 0.000 0.860 298 L CB -0.483 41.476 42.059 -0.167 0.000 1.086 298 L HN 0.176 nan 8.230 nan 0.000 0.482 299 D N -0.881 119.567 120.400 0.080 0.000 2.144 299 D HA -0.251 4.394 4.640 0.008 0.000 0.200 299 D C 1.763 178.131 176.300 0.114 0.000 0.978 299 D CA 1.047 55.091 54.000 0.072 0.000 0.833 299 D CB 0.037 40.889 40.800 0.087 0.000 0.961 299 D HN 0.422 nan 8.370 nan 0.000 0.470 300 W N 1.964 123.281 121.300 0.028 0.000 2.338 300 W HA -0.188 4.476 4.660 0.007 0.000 0.304 300 W C 2.115 178.643 176.519 0.015 0.000 1.212 300 W CA 2.448 59.828 57.345 0.060 0.000 1.264 300 W CB -0.368 29.192 29.460 0.168 0.000 1.142 300 W HN -0.064 nan 8.180 nan 0.000 0.512 301 A N 0.233 122.924 122.820 -0.216 0.000 2.119 301 A HA 0.221 4.546 4.320 0.008 0.000 0.216 301 A C 1.990 179.347 177.584 -0.379 0.000 1.152 301 A CA 1.463 53.140 52.037 -0.600 0.000 0.708 301 A CB -1.149 17.611 19.000 -0.400 0.000 0.805 301 A HN 0.407 nan 8.150 nan 0.000 0.460 302 A N 0.224 122.914 122.820 -0.217 0.000 1.970 302 A HA -0.025 4.300 4.320 0.008 0.000 0.216 302 A C 2.037 179.529 177.584 -0.155 0.000 1.170 302 A CA 1.454 53.396 52.037 -0.158 0.000 0.645 302 A CB -0.224 18.718 19.000 -0.097 0.000 0.816 302 A HN 0.493 nan 8.150 nan 0.000 0.447 303 K N -0.793 119.508 120.400 -0.164 0.000 2.186 303 K HA 0.068 4.393 4.320 0.008 0.000 0.202 303 K C 1.761 178.241 176.600 -0.201 0.000 1.052 303 K CA 0.769 56.972 56.287 -0.139 0.000 0.965 303 K CB -0.246 32.204 32.500 -0.083 0.000 0.746 303 K HN 0.325 nan 8.250 nan 0.000 0.457 304 L N 1.766 122.771 121.223 -0.363 0.000 2.079 304 L HA -0.143 4.202 4.340 0.008 0.000 0.210 304 L C 1.720 178.442 176.870 -0.248 0.000 1.081 304 L CA 1.907 56.507 54.840 -0.400 0.000 0.752 304 L CB -0.649 40.948 42.059 -0.770 0.000 0.896 304 L HN 0.234 nan 8.230 nan 0.000 0.433 305 T N -3.684 110.733 114.554 -0.228 0.000 3.284 305 T HA 0.453 4.808 4.350 0.008 0.000 0.249 305 T C 1.279 175.915 174.700 -0.107 0.000 0.944 305 T CA 0.028 62.040 62.100 -0.147 0.000 0.919 305 T CB -0.446 68.338 68.868 -0.140 0.000 1.089 305 T HN 0.574 nan 8.240 nan 0.000 0.576 306 G N 1.351 110.090 108.800 -0.101 0.000 2.205 306 G HA2 -0.277 3.688 3.960 0.008 0.000 0.269 306 G HA3 -0.277 3.688 3.960 0.008 0.000 0.269 306 G C 0.087 174.947 174.900 -0.066 0.000 0.977 306 G CA 0.601 45.658 45.100 -0.071 0.000 0.652 306 G HN 0.680 nan 8.290 nan 0.000 0.539 307 L N 0.456 121.631 121.223 -0.080 0.000 2.439 307 L HA 0.560 4.905 4.340 0.008 0.000 0.261 307 L C 1.714 178.547 176.870 -0.063 0.000 1.153 307 L CA 0.159 54.958 54.840 -0.069 0.000 0.808 307 L CB 1.457 43.469 42.059 -0.079 0.000 1.126 307 L HN 0.289 nan 8.230 nan 0.000 0.460 308 S N -1.296 114.377 115.700 -0.046 0.000 2.619 308 S HA 0.168 4.643 4.470 0.008 0.000 0.238 308 S C 0.421 175.005 174.600 -0.028 0.000 1.068 308 S CA -0.488 57.692 58.200 -0.034 0.000 0.926 308 S CB 0.129 63.315 63.200 -0.022 0.000 0.864 308 S HN 0.638 nan 8.310 nan 0.000 0.493 309 N N 0.987 119.669 118.700 -0.031 0.000 2.487 309 N HA 0.506 5.250 4.740 0.008 0.000 0.292 309 N C 0.716 176.203 175.510 -0.040 0.000 1.108 309 N CA -0.375 52.659 53.050 -0.026 0.000 0.956 309 N CB 1.767 40.242 38.487 -0.021 0.000 1.176 309 N HN -0.049 nan 8.380 nan 0.000 0.484 310 V N 3.097 122.988 119.914 -0.038 0.000 2.548 310 V HA -0.057 4.068 4.120 0.008 0.000 0.249 310 V C -1.090 174.968 176.094 -0.059 0.000 1.055 310 V CA 1.279 63.541 62.300 -0.063 0.000 1.065 310 V CB -0.837 30.945 31.823 -0.068 0.000 0.681 310 V HN 0.669 nan 8.190 nan 0.000 0.462 311 P HA -0.181 nan 4.420 nan 0.000 0.216 311 P C 1.713 178.995 177.300 -0.030 0.000 1.150 311 P CA 1.975 65.063 63.100 -0.020 0.000 0.843 311 P CB -0.084 31.612 31.700 -0.008 0.000 0.787 312 A N 0.200 122.997 122.820 -0.038 0.000 1.858 312 A HA -0.186 4.138 4.320 0.008 0.000 0.216 312 A C 2.147 179.698 177.584 -0.055 0.000 1.190 312 A CA 2.014 54.024 52.037 -0.045 0.000 0.617 312 A CB -1.818 17.155 19.000 -0.045 0.000 0.827 312 A HN 0.299 nan 8.150 nan 0.000 0.443 313 L N -2.370 118.813 121.223 -0.068 0.000 2.275 313 L HA 0.016 4.360 4.340 0.008 0.000 0.215 313 L C 2.172 179.012 176.870 -0.051 0.000 1.119 313 L CA 1.262 56.057 54.840 -0.075 0.000 0.790 313 L CB -0.556 41.437 42.059 -0.109 0.000 0.919 313 L HN 0.281 nan 8.230 nan 0.000 0.443 314 I N 1.086 121.633 120.570 -0.038 0.000 2.252 314 I HA -0.203 3.972 4.170 0.008 0.000 0.245 314 I C 2.983 179.084 176.117 -0.026 0.000 1.102 314 I CA 1.092 62.414 61.300 0.038 0.000 1.385 314 I CB -0.450 37.589 38.000 0.065 0.000 1.064 314 I HN 0.380 nan 8.210 nan 0.000 0.414 315 A N 0.818 123.602 122.820 -0.061 0.000 1.855 315 A HA -0.137 4.188 4.320 0.008 0.000 0.215 315 A C 2.565 180.085 177.584 -0.106 0.000 1.191 315 A CA 1.764 53.739 52.037 -0.104 0.000 0.613 315 A CB -0.952 18.005 19.000 -0.070 0.000 0.829 315 A HN 0.398 nan 8.150 nan 0.000 0.442 316 A N 0.087 122.865 122.820 -0.070 0.000 1.873 316 A HA 0.044 4.369 4.320 0.008 0.000 0.218 316 A C 2.540 180.096 177.584 -0.047 0.000 1.193 316 A CA 2.678 54.680 52.037 -0.058 0.000 0.629 316 A CB -1.341 17.628 19.000 -0.053 0.000 0.826 316 A HN 1.331 nan 8.150 nan 0.000 0.447 317 A N -0.911 121.896 122.820 -0.021 0.000 2.054 317 A HA -0.308 4.016 4.320 0.008 0.000 0.223 317 A C 2.062 179.651 177.584 0.008 0.000 1.169 317 A CA 2.000 54.065 52.037 0.047 0.000 0.655 317 A CB -0.627 18.471 19.000 0.164 0.000 0.812 317 A HN 0.730 nan 8.150 nan 0.000 0.462 318 Q N -1.257 118.449 119.800 -0.156 0.000 2.245 318 Q HA -0.079 4.265 4.340 0.008 0.000 0.201 318 Q C 1.246 177.162 176.000 -0.139 0.000 0.955 318 Q CA 1.025 56.654 55.803 -0.291 0.000 0.870 318 Q CB 0.002 28.467 28.738 -0.455 0.000 0.945 318 Q HN 0.803 nan 8.270 nan 0.000 0.461 319 Q N -0.176 119.572 119.800 -0.088 0.000 2.247 319 Q HA 0.297 4.642 4.340 0.008 0.000 0.204 319 Q C 0.354 176.336 176.000 -0.030 0.000 0.872 319 Q CA -0.041 55.728 55.803 -0.057 0.000 0.951 319 Q CB 0.287 28.991 28.738 -0.057 0.000 1.099 319 Q HN 0.122 nan 8.270 nan 0.000 0.501 320 A N 2.762 125.575 122.820 -0.011 0.000 2.615 320 A HA 0.003 4.328 4.320 0.008 0.000 0.230 320 A C 0.141 177.728 177.584 0.005 0.000 1.062 320 A CA 0.258 52.301 52.037 0.010 0.000 0.758 320 A CB 0.012 19.038 19.000 0.043 0.000 0.995 320 A HN 0.316 nan 8.150 nan 0.000 0.511 321 D N 0.349 120.751 120.400 0.003 0.000 2.255 321 D HA 0.178 4.823 4.640 0.008 0.000 0.249 321 D C -0.209 176.099 176.300 0.014 0.000 1.078 321 D CA -0.369 53.629 54.000 -0.004 0.000 0.896 321 D CB 0.671 41.455 40.800 -0.027 0.000 1.194 321 D HN 0.352 nan 8.370 nan 0.000 0.429 322 E N 1.726 121.933 120.200 0.011 0.000 2.467 322 E HA 0.011 4.366 4.350 0.008 0.000 0.321 322 E C 0.321 176.930 176.600 0.015 0.000 1.388 322 E CA 0.056 56.466 56.400 0.016 0.000 1.508 322 E CB -0.449 29.258 29.700 0.012 0.000 1.250 322 E HN 0.476 nan 8.360 nan 0.000 0.500 323 S N -0.184 115.533 115.700 0.029 0.000 2.557 323 S HA 0.237 4.712 4.470 0.008 0.000 0.223 323 S C 1.240 175.861 174.600 0.036 0.000 0.969 323 S CA 0.214 58.445 58.200 0.051 0.000 0.927 323 S CB 0.075 63.345 63.200 0.117 0.000 0.806 323 S HN 0.323 nan 8.310 nan 0.000 0.489 324 A N 1.148 123.969 122.820 0.002 0.000 2.714 324 A HA -0.311 4.014 4.320 0.008 0.000 0.305 324 A C 1.289 178.806 177.584 -0.112 0.000 1.520 324 A CA 1.450 53.459 52.037 -0.047 0.000 0.879 324 A CB -2.428 16.542 19.000 -0.050 0.000 0.976 324 A HN 0.750 nan 8.150 nan 0.000 0.487 325 E N -0.334 119.810 120.200 -0.093 0.000 2.170 325 E HA -0.229 4.125 4.350 0.008 0.000 0.229 325 E C -0.995 175.476 176.600 -0.214 0.000 1.074 325 E CA 2.165 58.488 56.400 -0.128 0.000 0.930 325 E CB -0.899 28.732 29.700 -0.116 0.000 0.806 325 E HN 0.816 nan 8.360 nan 0.000 0.478 326 P HA 0.089 nan 4.420 nan 0.000 0.285 326 P C 0.559 177.504 177.300 -0.591 0.000 1.285 326 P CA -0.178 62.624 63.100 -0.495 0.000 0.854 326 P CB 1.503 32.709 31.700 -0.824 0.000 1.180 327 V N -0.449 119.253 119.914 -0.352 0.000 2.251 327 V HA -0.060 4.065 4.120 0.008 0.000 0.233 327 V C 0.760 176.965 176.094 0.184 0.000 1.041 327 V CA 1.373 63.632 62.300 -0.068 0.000 1.000 327 V CB -1.564 30.310 31.823 0.086 0.000 0.643 327 V HN 0.794 nan 8.190 nan 0.000 0.460 328 W N -2.569 118.846 121.300 0.192 0.000 1.715 328 W HA -0.147 4.517 4.660 0.008 0.000 0.294 328 W C 0.034 176.724 176.519 0.285 0.000 1.177 328 W CA -1.000 56.494 57.345 0.249 0.000 0.472 328 W CB -1.687 27.877 29.460 0.173 0.000 2.232 328 W HN 0.287 nan 8.180 nan 0.000 1.027 329 F N 3.586 123.772 119.950 0.393 0.000 2.569 329 F HA 0.194 4.725 4.527 0.007 0.000 0.395 329 F C 0.603 176.576 175.800 0.289 0.000 1.028 329 F CA 0.721 58.873 58.000 0.254 0.000 1.158 329 F CB 0.223 39.334 39.000 0.185 0.000 1.023 329 F HN -0.109 nan 8.300 nan 0.000 0.547 330 L N 9.079 130.092 121.223 -0.350 0.000 2.272 330 L HA 0.407 4.752 4.340 0.008 0.000 0.289 330 L C -2.384 173.962 176.870 -0.872 0.000 1.032 330 L CA -1.863 52.721 54.840 -0.428 0.000 0.810 330 L CB 1.292 43.258 42.059 -0.155 0.000 1.205 330 L HN 0.446 nan 8.230 nan 0.000 0.422 331 P HA 0.391 nan 4.420 nan 0.000 0.285 331 P C -1.590 175.690 177.300 -0.032 0.000 1.269 331 P CA -0.463 62.317 63.100 -0.533 0.000 0.844 331 P CB 1.180 32.701 31.700 -0.297 0.000 1.094 332 Y N 2.049 122.319 120.300 -0.049 0.000 2.576 332 Y HA 0.748 5.303 4.550 0.008 0.000 0.346 332 Y C -1.308 174.632 175.900 0.066 0.000 1.018 332 Y CA -0.733 57.355 58.100 -0.020 0.000 1.050 332 Y CB 1.326 39.633 38.460 -0.254 0.000 1.280 332 Y HN 0.326 nan 8.280 nan 0.000 0.474 345 A N -0.138 122.699 122.820 0.027 0.000 2.594 345 A HA 0.817 5.142 4.320 0.008 0.000 0.291 345 A C -0.929 176.646 177.584 -0.015 0.000 1.105 345 A CA 0.132 52.187 52.037 0.030 0.000 0.694 345 A CB 1.659 20.687 19.000 0.047 0.000 1.291 345 A HN 0.480 nan 8.150 nan 0.000 0.410 346 K N -0.372 119.993 120.400 -0.058 0.000 3.056 346 K HA 0.539 4.864 4.320 0.008 0.000 0.231 346 K C 0.710 176.986 176.600 -0.540 0.000 2.020 346 K CA 0.270 56.442 56.287 -0.192 0.000 1.343 346 K CB 0.401 32.854 32.500 -0.078 0.000 2.325 346 K HN 2.301 nan 8.250 nan 0.000 0.513 347 G N 2.092 110.642 108.800 -0.416 0.000 2.629 347 G HA2 -0.063 3.902 3.960 0.008 0.000 0.154 347 G HA3 -0.063 3.902 3.960 0.008 0.000 0.154 347 G C -0.200 174.394 174.900 -0.511 0.000 1.077 347 G CA -0.420 44.096 45.100 -0.973 0.000 0.831 347 G HN 0.181 nan 8.290 nan 0.000 0.495 348 V N 0.279 120.023 119.914 -0.282 0.000 2.899 348 V HA 0.053 4.178 4.120 0.008 0.000 0.293 348 V C 0.577 176.580 176.094 -0.151 0.000 1.114 348 V CA 1.408 63.354 62.300 -0.590 0.000 1.270 348 V CB -0.536 30.576 31.823 -1.185 0.000 0.814 348 V HN 0.586 nan 8.190 nan 0.000 0.457 349 F N 5.370 124.834 119.950 -0.810 0.000 2.675 349 F HA 0.375 4.908 4.527 0.010 0.000 0.390 349 F C 0.676 176.418 175.800 -0.097 0.000 1.421 349 F CA -1.436 56.355 58.000 -0.349 0.000 1.091 349 F CB 0.075 38.917 39.000 -0.262 0.000 2.085 349 F HN 0.401 nan 8.300 nan 0.000 0.525 350 F N 0.523 120.486 119.950 0.022 0.000 2.591 350 F HA 0.031 4.563 4.527 0.007 0.000 0.291 350 F C 1.817 177.658 175.800 0.067 0.000 1.184 350 F CA 0.864 58.859 58.000 -0.008 0.000 1.498 350 F CB -0.589 38.332 39.000 -0.131 0.000 1.122 350 F HN 0.508 nan 8.300 nan 0.000 0.624 351 G N 0.760 109.762 108.800 0.337 0.000 2.552 351 G HA2 -0.295 3.670 3.960 0.008 0.000 0.267 351 G HA3 -0.295 3.670 3.960 0.008 0.000 0.267 351 G C 0.313 175.370 174.900 0.261 0.000 1.174 351 G CA 0.253 45.535 45.100 0.303 0.000 0.955 351 G HN 0.328 nan 8.290 nan 0.000 0.546 352 L N -4.602 116.738 121.223 0.195 0.000 1.598 352 L HA 0.468 4.813 4.340 0.008 0.000 0.082 352 L C 1.021 177.985 176.870 0.156 0.000 1.697 352 L CA 0.873 55.794 54.840 0.134 0.000 0.994 352 L CB -0.158 41.881 42.059 -0.033 0.000 1.803 352 L HN 1.216 nan 8.230 nan 0.000 0.405 353 T N -0.379 114.262 114.554 0.144 0.000 3.661 353 T HA 0.111 4.466 4.350 0.008 0.000 0.287 353 T C -0.144 174.719 174.700 0.271 0.000 0.892 353 T CA 0.177 62.405 62.100 0.214 0.000 0.775 353 T CB 0.030 68.986 68.868 0.146 0.000 1.216 353 T HN 0.773 nan 8.240 nan 0.000 0.850 354 H N 1.999 121.070 119.070 0.003 0.000 2.505 354 H HA 0.763 5.324 4.556 0.007 0.000 0.358 354 H C 0.191 175.466 175.328 -0.087 0.000 1.304 354 H CA -0.923 55.092 56.048 -0.054 0.000 1.393 354 H CB 0.356 30.108 29.762 -0.017 0.000 1.591 354 H HN 0.140 nan 8.280 nan 0.000 0.595 355 Q N 0.640 120.349 119.800 -0.151 0.000 2.706 355 Q HA 0.286 4.631 4.340 0.008 0.000 0.335 355 Q C -1.233 174.723 176.000 -0.072 0.000 0.796 355 Q CA -0.513 55.176 55.803 -0.190 0.000 1.046 355 Q CB -0.181 28.460 28.738 -0.162 0.000 1.448 355 Q HN 0.708 nan 8.270 nan 0.000 0.385 356 H N -1.180 117.901 119.070 0.018 0.000 2.905 356 H HA 0.727 5.286 4.556 0.006 0.000 0.280 356 H C 0.004 175.364 175.328 0.053 0.000 1.445 356 H CA -0.210 55.850 56.048 0.020 0.000 1.165 356 H CB 0.741 30.517 29.762 0.023 0.000 1.857 356 H HN 0.298 nan 8.280 nan 0.000 0.567 357 G N 0.086 108.998 108.800 0.186 0.000 2.553 357 G HA2 0.260 4.225 3.960 0.008 0.000 0.278 357 G HA3 0.260 4.225 3.960 0.008 0.000 0.278 357 G C -1.678 173.255 174.900 0.055 0.000 1.349 357 G CA -0.817 44.324 45.100 0.068 0.000 1.037 357 G HN 0.348 nan 8.290 nan 0.000 0.508 358 P HA -0.035 nan 4.420 nan 0.000 0.216 358 P C 1.202 178.488 177.300 -0.023 0.000 1.151 358 P CA 1.011 64.104 63.100 -0.012 0.000 0.863 358 P CB -0.011 31.670 31.700 -0.031 0.000 0.790 359 N N 0.259 118.947 118.700 -0.021 0.000 2.573 359 N HA -0.104 4.641 4.740 0.008 0.000 0.187 359 N C 1.218 176.733 175.510 0.007 0.000 1.107 359 N CA 0.402 53.441 53.050 -0.018 0.000 0.918 359 N CB -0.282 38.189 38.487 -0.027 0.000 0.966 359 N HN 0.162 nan 8.380 nan 0.000 0.448 360 E N 0.616 120.831 120.200 0.026 0.000 2.190 360 E HA -0.043 4.312 4.350 0.008 0.000 0.191 360 E C 1.816 178.449 176.600 0.055 0.000 0.978 360 E CA 0.222 56.656 56.400 0.056 0.000 0.839 360 E CB -0.095 29.663 29.700 0.097 0.000 0.787 360 E HN 0.338 nan 8.360 nan 0.000 0.473 361 L N 1.214 122.458 121.223 0.034 0.000 2.209 361 L HA 0.172 4.517 4.340 0.008 0.000 0.207 361 L C 2.191 179.030 176.870 -0.051 0.000 1.094 361 L CA 1.227 56.067 54.840 -0.001 0.000 0.790 361 L CB -0.418 41.637 42.059 -0.006 0.000 0.932 361 L HN 0.024 nan 8.230 nan 0.000 0.447 362 A N -0.285 122.505 122.820 -0.049 0.000 1.972 362 A HA -0.217 4.108 4.320 0.008 0.000 0.219 362 A C 2.397 179.970 177.584 -0.019 0.000 1.169 362 A CA 1.604 53.600 52.037 -0.070 0.000 0.635 362 A CB -0.507 18.459 19.000 -0.056 0.000 0.810 362 A HN 0.453 nan 8.150 nan 0.000 0.446 363 R N 0.070 120.594 120.500 0.040 0.000 2.090 363 R HA 0.107 4.451 4.340 0.008 0.000 0.228 363 R C 2.070 178.439 176.300 0.116 0.000 1.110 363 R CA 1.717 57.879 56.100 0.104 0.000 0.973 363 R CB -0.722 29.654 30.300 0.126 0.000 0.869 363 R HN 0.342 nan 8.270 nan 0.000 0.440 364 A N 0.075 122.960 122.820 0.109 0.000 1.873 364 A HA -0.085 4.240 4.320 0.008 0.000 0.215 364 A C 2.286 179.987 177.584 0.195 0.000 1.186 364 A CA 1.547 53.705 52.037 0.202 0.000 0.616 364 A CB -1.063 18.044 19.000 0.180 0.000 0.823 364 A HN 0.229 nan 8.150 nan 0.000 0.442 365 V N 0.430 120.337 119.914 -0.013 0.000 2.261 365 V HA -0.221 3.904 4.120 0.008 0.000 0.246 365 V C 2.317 178.441 176.094 0.050 0.000 1.047 365 V CA 2.223 64.434 62.300 -0.149 0.000 1.015 365 V CB -0.483 31.094 31.823 -0.410 0.000 0.642 365 V HN 0.565 nan 8.190 nan 0.000 0.446 366 L N -0.227 120.968 121.223 -0.047 0.000 2.187 366 L HA -0.180 4.165 4.340 0.008 0.000 0.213 366 L C 2.576 179.478 176.870 0.053 0.000 1.100 366 L CA 2.098 56.888 54.840 -0.085 0.000 0.765 366 L CB -0.653 41.317 42.059 -0.148 0.000 0.904 366 L HN 0.512 nan 8.230 nan 0.000 0.437 367 E N -0.516 119.680 120.200 -0.007 0.000 2.250 367 E HA -0.041 4.314 4.350 0.008 0.000 0.192 367 E C 2.199 178.478 176.600 -0.535 0.000 0.986 367 E CA 0.613 56.837 56.400 -0.293 0.000 0.849 367 E CB -0.013 29.576 29.700 -0.185 0.000 0.797 367 E HN 0.497 nan 8.360 nan 0.000 0.482 368 G N 1.431 110.214 108.800 -0.030 0.000 2.421 368 G HA2 -0.228 3.737 3.960 0.008 0.000 0.216 368 G HA3 -0.228 3.737 3.960 0.008 0.000 0.216 368 G C 1.751 176.597 174.900 -0.089 0.000 1.171 368 G CA 0.659 45.825 45.100 0.110 0.000 0.775 368 G HN 0.087 nan 8.290 nan 0.000 0.543 369 V N 1.735 121.703 119.914 0.090 0.000 2.287 369 V HA -0.114 4.011 4.120 0.008 0.000 0.248 369 V C 3.189 179.264 176.094 -0.031 0.000 1.053 369 V CA 2.108 64.472 62.300 0.108 0.000 1.027 369 V CB -1.216 30.779 31.823 0.285 0.000 0.646 369 V HN 0.444 nan 8.190 nan 0.000 0.447 370 G N -1.273 107.482 108.800 -0.075 0.000 2.469 370 G HA2 -0.291 3.674 3.960 0.008 0.000 0.220 370 G HA3 -0.291 3.674 3.960 0.008 0.000 0.220 370 G C 1.398 176.093 174.900 -0.342 0.000 1.136 370 G CA 1.230 46.177 45.100 -0.255 0.000 0.759 370 G HN 0.524 nan 8.290 nan 0.000 0.562 371 Y N 1.037 121.018 120.300 -0.532 0.000 2.263 371 Y HA 0.198 4.751 4.550 0.005 0.000 0.292 371 Y C 3.054 178.513 175.900 -0.734 0.000 1.130 371 Y CA -0.058 57.573 58.100 -0.781 0.000 1.179 371 Y CB -0.982 36.635 38.460 -1.404 0.000 0.998 371 Y HN 0.264 nan 8.280 nan 0.000 0.532 372 A N 0.049 122.553 122.820 -0.527 0.000 1.933 372 A HA -0.115 4.210 4.320 0.008 0.000 0.218 372 A C 2.314 179.779 177.584 -0.199 0.000 1.175 372 A CA 1.380 53.257 52.037 -0.268 0.000 0.628 372 A CB -1.021 17.925 19.000 -0.090 0.000 0.814 372 A HN 0.437 nan 8.150 nan 0.000 0.444 373 L N -0.949 120.154 121.223 -0.200 0.000 2.044 373 L HA -0.144 4.201 4.340 0.008 0.000 0.205 373 L C 3.142 179.854 176.870 -0.264 0.000 1.075 373 L CA 0.981 55.695 54.840 -0.211 0.000 0.747 373 L CB -0.650 41.276 42.059 -0.222 0.000 0.903 373 L HN 0.422 nan 8.230 nan 0.000 0.435 374 A N 0.021 122.690 122.820 -0.252 0.000 1.892 374 A HA -0.275 4.050 4.320 0.008 0.000 0.218 374 A C 1.931 179.383 177.584 -0.220 0.000 1.188 374 A CA 2.277 54.178 52.037 -0.228 0.000 0.631 374 A CB -0.619 18.280 19.000 -0.168 0.000 0.822 374 A HN 0.369 nan 8.150 nan 0.000 0.447 375 D N -0.681 119.597 120.400 -0.204 0.000 2.178 375 D HA -0.034 4.611 4.640 0.008 0.000 0.202 375 D C 2.075 178.267 176.300 -0.181 0.000 0.974 375 D CA 1.235 55.130 54.000 -0.174 0.000 0.841 375 D CB -0.602 40.102 40.800 -0.160 0.000 0.953 375 D HN 0.440 nan 8.370 nan 0.000 0.478 376 G N 0.488 109.168 108.800 -0.201 0.000 2.421 376 G HA2 -0.237 3.728 3.960 0.008 0.000 0.216 376 G HA3 -0.237 3.728 3.960 0.008 0.000 0.216 376 G C 1.626 176.380 174.900 -0.242 0.000 1.171 376 G CA 0.437 45.430 45.100 -0.179 0.000 0.775 376 G HN 0.218 nan 8.290 nan 0.000 0.543 377 M N 0.419 119.757 119.600 -0.436 0.000 2.319 377 M HA 0.019 4.504 4.480 0.008 0.000 0.265 377 M C 1.784 177.677 176.300 -0.677 0.000 1.068 377 M CA 0.961 55.820 55.300 -0.734 0.000 1.118 377 M CB -0.107 31.891 32.600 -1.003 0.000 1.395 377 M HN 0.049 nan 8.290 nan 0.000 0.435 378 D N 0.046 120.222 120.400 -0.373 0.000 2.183 378 D HA -0.078 4.567 4.640 0.008 0.000 0.203 378 D C 2.089 178.331 176.300 -0.097 0.000 0.969 378 D CA 1.000 54.892 54.000 -0.180 0.000 0.842 378 D CB -0.111 40.638 40.800 -0.086 0.000 0.957 378 D HN 0.112 nan 8.370 nan 0.000 0.484 379 V N 0.372 120.221 119.914 -0.108 0.000 2.427 379 V HA -0.180 3.944 4.120 0.008 0.000 0.248 379 V C 2.502 178.580 176.094 -0.026 0.000 1.051 379 V CA 0.920 63.186 62.300 -0.056 0.000 1.048 379 V CB -0.236 31.554 31.823 -0.055 0.000 0.666 379 V HN 0.063 nan 8.190 nan 0.000 0.456 380 V N -0.261 119.636 119.914 -0.028 0.000 2.244 380 V HA -0.284 3.841 4.120 0.008 0.000 0.244 380 V C 2.244 178.403 176.094 0.109 0.000 1.042 380 V CA 2.350 64.679 62.300 0.048 0.000 1.006 380 V CB -0.925 30.997 31.823 0.165 0.000 0.641 380 V HN 0.640 nan 8.190 nan 0.000 0.446 381 H N 0.249 119.368 119.070 0.080 0.000 2.357 381 H HA -0.183 4.377 4.556 0.007 0.000 0.296 381 H C 2.020 177.350 175.328 0.004 0.000 1.108 381 H CA 1.082 57.157 56.048 0.046 0.000 1.273 381 H CB -0.150 29.638 29.762 0.044 0.000 1.367 381 H HN 0.485 nan 8.280 nan 0.000 0.498 382 A N 0.109 123.000 122.820 0.118 0.000 2.258 382 A HA -0.026 4.299 4.320 0.008 0.000 0.206 382 A C 1.805 179.391 177.584 0.002 0.000 1.222 382 A CA 0.499 52.562 52.037 0.042 0.000 0.822 382 A CB -0.663 18.348 19.000 0.017 0.000 0.804 382 A HN 0.503 nan 8.150 nan 0.000 0.483 383 C N -2.593 116.709 119.300 0.003 0.000 2.791 383 C HA 0.499 4.964 4.460 0.008 0.000 0.288 383 C C 1.841 176.792 174.990 -0.065 0.000 1.271 383 C CA 0.534 59.522 59.018 -0.050 0.000 1.726 383 C CB -0.169 27.533 27.740 -0.063 0.000 2.145 383 C HN 0.944 nan 8.230 nan 0.000 0.572 384 G N 0.406 109.188 108.800 -0.030 0.000 2.363 384 G HA2 0.003 3.968 3.960 0.008 0.000 0.213 384 G HA3 0.003 3.968 3.960 0.008 0.000 0.213 384 G C -0.379 174.506 174.900 -0.026 0.000 1.028 384 G CA -0.505 44.569 45.100 -0.043 0.000 0.822 384 G HN 0.382 nan 8.290 nan 0.000 0.536 385 I N 0.191 120.767 120.570 0.010 0.000 2.509 385 I HA 0.650 4.825 4.170 0.008 0.000 0.293 385 I C -0.429 175.651 176.117 -0.062 0.000 1.020 385 I CA -1.136 60.171 61.300 0.011 0.000 1.088 385 I CB 2.353 40.400 38.000 0.078 0.000 1.267 385 I HN -0.059 nan 8.210 nan 0.000 0.430 386 K N 7.440 127.769 120.400 -0.120 0.000 2.803 386 K HA 0.387 4.712 4.320 0.008 0.000 0.229 386 K C -2.644 173.856 176.600 -0.168 0.000 1.084 386 K CA -1.488 54.663 56.287 -0.227 0.000 1.063 386 K CB 0.998 33.416 32.500 -0.136 0.000 1.254 386 K HN 0.187 nan 8.250 nan 0.000 0.551 387 P HA 0.072 nan 4.420 nan 0.000 0.274 387 P C -0.124 177.137 177.300 -0.065 0.000 1.231 387 P CA -0.193 62.866 63.100 -0.069 0.000 0.790 387 P CB 1.252 32.959 31.700 0.011 0.000 0.951 388 Q N 0.470 120.253 119.800 -0.029 0.000 2.354 388 Q HA 0.117 4.462 4.340 0.008 0.000 0.203 388 Q C 0.515 176.508 176.000 -0.013 0.000 0.933 388 Q CA 0.267 56.054 55.803 -0.027 0.000 0.901 388 Q CB 0.206 28.934 28.738 -0.017 0.000 1.007 388 Q HN 0.384 nan 8.270 nan 0.000 0.495 389 S N -0.774 114.931 115.700 0.009 0.000 2.615 389 S HA 0.555 5.030 4.470 0.008 0.000 0.269 389 S C -1.810 172.830 174.600 0.066 0.000 1.161 389 S CA -0.727 57.491 58.200 0.029 0.000 0.817 389 S CB 2.246 65.460 63.200 0.023 0.000 1.131 389 S HN 0.066 nan 8.310 nan 0.000 0.467 390 V N 2.902 122.866 119.914 0.084 0.000 2.419 390 V HA 0.399 4.524 4.120 0.008 0.000 0.287 390 V C 0.130 176.287 176.094 0.105 0.000 1.017 390 V CA -0.622 61.757 62.300 0.131 0.000 0.844 390 V CB 1.136 33.066 31.823 0.178 0.000 1.011 390 V HN 0.964 nan 8.190 nan 0.000 0.429 391 T N 5.762 120.368 114.554 0.088 0.000 2.946 391 T HA 0.292 4.647 4.350 0.008 0.000 0.311 391 T C -0.333 174.416 174.700 0.083 0.000 1.063 391 T CA 0.615 62.752 62.100 0.062 0.000 1.139 391 T CB 0.423 69.306 68.868 0.024 0.000 0.994 391 T HN 0.414 nan 8.240 nan 0.000 0.547 392 L N 6.105 127.384 121.223 0.094 0.000 2.376 392 L HA 0.759 5.104 4.340 0.008 0.000 0.275 392 L C -0.757 176.192 176.870 0.132 0.000 0.987 392 L CA -0.520 54.394 54.840 0.123 0.000 0.828 392 L CB 0.903 43.054 42.059 0.153 0.000 1.249 392 L HN 0.699 nan 8.230 nan 0.000 0.409 393 I N 1.718 122.344 120.570 0.094 0.000 3.174 393 I HA 1.082 5.257 4.170 0.008 0.000 0.313 393 I C 0.079 176.259 176.117 0.105 0.000 1.155 393 I CA -0.541 60.794 61.300 0.057 0.000 0.977 393 I CB 2.129 40.111 38.000 -0.029 0.000 1.248 393 I HN 0.891 nan 8.210 nan 0.000 0.453 394 G N 1.113 109.976 108.800 0.104 0.000 2.497 394 G HA2 0.193 4.158 3.960 0.008 0.000 0.686 394 G HA3 0.193 4.158 3.960 0.008 0.000 0.686 394 G C 0.197 175.192 174.900 0.158 0.000 1.288 394 G CA -0.325 44.842 45.100 0.111 0.000 0.899 394 G HN 1.330 nan 8.290 nan 0.000 0.608 395 G N -0.244 108.630 108.800 0.124 0.000 2.421 395 G HA2 0.277 4.241 3.960 0.008 0.000 0.216 395 G HA3 0.277 4.241 3.960 0.008 0.000 0.216 395 G C 1.842 176.834 174.900 0.152 0.000 1.171 395 G CA 1.578 46.754 45.100 0.127 0.000 0.775 395 G HN 1.961 nan 8.290 nan 0.000 0.543 396 G N 0.128 109.030 108.800 0.170 0.000 2.916 396 G HA2 0.300 4.265 3.960 0.008 0.000 0.205 396 G HA3 0.300 4.265 3.960 0.008 0.000 0.205 396 G C 0.928 176.025 174.900 0.329 0.000 1.163 396 G CA 0.904 46.145 45.100 0.236 0.000 0.821 396 G HN 0.734 nan 8.290 nan 0.000 0.515 397 A N -0.326 122.632 122.820 0.230 0.000 2.606 397 A HA 0.440 4.765 4.320 0.008 0.000 0.290 397 A C 1.692 179.265 177.584 -0.018 0.000 1.174 397 A CA -0.438 51.689 52.037 0.151 0.000 0.958 397 A CB 0.154 19.267 19.000 0.188 0.000 1.194 397 A HN 0.267 nan 8.150 nan 0.000 0.526 398 R N 0.014 120.548 120.500 0.056 0.000 2.276 398 R HA 0.080 4.424 4.340 0.008 0.000 0.196 398 R C 0.738 177.006 176.300 -0.054 0.000 0.961 398 R CA 0.572 56.662 56.100 -0.017 0.000 1.024 398 R CB 0.208 30.564 30.300 0.094 0.000 0.940 398 R HN 0.372 nan 8.270 nan 0.000 0.480 399 S N 0.872 116.585 115.700 0.021 0.000 2.448 399 S HA 0.054 4.529 4.470 0.008 0.000 0.279 399 S C 0.647 175.258 174.600 0.017 0.000 1.195 399 S CA -0.574 57.669 58.200 0.071 0.000 1.051 399 S CB 1.020 64.326 63.200 0.177 0.000 0.948 399 S HN 0.085 nan 8.310 nan 0.000 0.493 400 E N 3.629 123.846 120.200 0.029 0.000 2.110 400 E HA -0.115 4.240 4.350 0.008 0.000 0.193 400 E C 1.175 177.809 176.600 0.056 0.000 0.988 400 E CA 1.421 57.848 56.400 0.046 0.000 0.804 400 E CB -0.378 29.399 29.700 0.128 0.000 0.745 400 E HN 0.889 nan 8.360 nan 0.000 0.458 401 Y N -0.701 119.611 120.300 0.019 0.000 2.145 401 Y HA -0.217 4.335 4.550 0.004 0.000 0.286 401 Y C 1.971 177.917 175.900 0.077 0.000 1.145 401 Y CA 1.526 59.654 58.100 0.046 0.000 1.148 401 Y CB -0.501 37.996 38.460 0.062 0.000 0.981 401 Y HN 0.176 nan 8.280 nan 0.000 0.507 402 W N 1.558 122.696 121.300 -0.270 0.000 2.402 402 W HA -0.069 4.594 4.660 0.005 0.000 0.286 402 W C 2.378 178.683 176.519 -0.356 0.000 1.221 402 W CA 1.766 58.889 57.345 -0.368 0.000 1.257 402 W CB -0.449 28.893 29.460 -0.196 0.000 1.120 402 W HN -0.008 nan 8.180 nan 0.000 0.551 403 R N -0.351 119.941 120.500 -0.346 0.000 2.073 403 R HA -0.232 4.112 4.340 0.008 0.000 0.234 403 R C 2.189 178.047 176.300 -0.736 0.000 1.134 403 R CA 2.015 57.743 56.100 -0.620 0.000 0.952 403 R CB -0.782 29.109 30.300 -0.682 0.000 0.850 403 R HN 0.051 nan 8.270 nan 0.000 0.433 404 Q N 0.426 119.822 119.800 -0.673 0.000 2.291 404 Q HA -0.107 4.238 4.340 0.008 0.000 0.205 404 Q C 1.867 177.719 176.000 -0.247 0.000 0.970 404 Q CA 1.489 57.059 55.803 -0.388 0.000 0.876 404 Q CB -0.033 28.655 28.738 -0.085 0.000 0.935 404 Q HN 0.328 nan 8.270 nan 0.000 0.455 405 M N -1.158 118.244 119.600 -0.331 0.000 2.123 405 M HA -0.117 4.367 4.480 0.008 0.000 0.263 405 M C 0.952 177.053 176.300 -0.332 0.000 1.069 405 M CA 1.007 56.139 55.300 -0.279 0.000 1.133 405 M CB 0.017 32.429 32.600 -0.314 0.000 1.356 405 M HN 0.295 nan 8.290 nan 0.000 0.415 406 L N 0.681 121.619 121.223 -0.476 0.000 2.127 406 L HA -0.117 4.228 4.340 0.008 0.000 0.211 406 L C 2.756 179.453 176.870 -0.288 0.000 1.089 406 L CA 1.984 56.545 54.840 -0.466 0.000 0.757 406 L CB -2.088 39.597 42.059 -0.623 0.000 0.899 406 L HN 0.397 nan 8.230 nan 0.000 0.434 407 A N -0.465 122.215 122.820 -0.233 0.000 1.873 407 A HA -0.163 4.162 4.320 0.008 0.000 0.215 407 A C 1.939 179.503 177.584 -0.033 0.000 1.186 407 A CA 1.588 53.559 52.037 -0.111 0.000 0.616 407 A CB -0.464 18.503 19.000 -0.055 0.000 0.823 407 A HN 0.394 nan 8.150 nan 0.000 0.442 408 D N 0.009 120.411 120.400 0.005 0.000 2.219 408 D HA -0.063 4.582 4.640 0.008 0.000 0.205 408 D C 1.822 178.232 176.300 0.184 0.000 0.970 408 D CA 0.864 54.968 54.000 0.174 0.000 0.851 408 D CB -0.255 40.705 40.800 0.266 0.000 0.943 408 D HN 0.533 nan 8.370 nan 0.000 0.488 409 I N 0.917 121.409 120.570 -0.131 0.000 2.277 409 I HA -0.191 3.983 4.170 0.008 0.000 0.243 409 I C 2.394 178.500 176.117 -0.017 0.000 1.094 409 I CA 1.068 62.206 61.300 -0.270 0.000 1.393 409 I CB -0.104 37.633 38.000 -0.439 0.000 1.078 409 I HN -0.005 nan 8.210 nan 0.000 0.417 410 S N 0.258 115.943 115.700 -0.025 0.000 2.446 410 S HA 0.111 4.585 4.470 0.008 0.000 0.225 410 S C 1.701 176.377 174.600 0.126 0.000 1.016 410 S CA 0.532 58.740 58.200 0.013 0.000 0.943 410 S CB 0.197 63.345 63.200 -0.088 0.000 0.786 410 S HN 0.574 nan 8.310 nan 0.000 0.508 411 G N 1.186 110.038 108.800 0.087 0.000 2.182 411 G HA2 -0.162 3.803 3.960 0.008 0.000 0.248 411 G HA3 -0.162 3.803 3.960 0.008 0.000 0.248 411 G C -0.361 174.444 174.900 -0.159 0.000 1.042 411 G CA -0.000 44.976 45.100 -0.206 0.000 0.775 411 G HN 0.536 nan 8.290 nan 0.000 0.501 412 Q N -0.438 119.318 119.800 -0.073 0.000 2.342 412 Q HA 0.428 4.773 4.340 0.008 0.000 0.267 412 Q C 0.037 176.016 176.000 -0.034 0.000 1.038 412 Q CA -0.700 55.080 55.803 -0.037 0.000 0.832 412 Q CB 1.671 30.416 28.738 0.011 0.000 1.323 412 Q HN 0.593 nan 8.270 nan 0.000 0.448 413 Q N 2.733 122.523 119.800 -0.018 0.000 2.293 413 Q HA 0.285 4.630 4.340 0.008 0.000 0.263 413 Q C -1.062 174.960 176.000 0.036 0.000 1.002 413 Q CA -0.061 55.746 55.803 0.006 0.000 0.910 413 Q CB 0.389 29.126 28.738 -0.000 0.000 1.185 413 Q HN 0.522 nan 8.270 nan 0.000 0.401 414 L N 4.890 126.153 121.223 0.067 0.000 2.283 414 L HA 0.351 4.696 4.340 0.008 0.000 0.281 414 L C -0.785 176.176 176.870 0.152 0.000 1.033 414 L CA -0.816 54.078 54.840 0.090 0.000 0.848 414 L CB 1.139 43.224 42.059 0.043 0.000 1.226 414 L HN 0.550 nan 8.230 nan 0.000 0.429 415 D N 2.600 123.067 120.400 0.112 0.000 2.339 415 D HA 0.095 4.740 4.640 0.008 0.000 0.241 415 D C -0.372 176.024 176.300 0.160 0.000 1.183 415 D CA -0.035 54.028 54.000 0.106 0.000 0.859 415 D CB 1.209 42.039 40.800 0.049 0.000 1.067 415 D HN 0.221 nan 8.370 nan 0.000 0.484 416 Y N 3.057 123.394 120.300 0.063 0.000 2.309 416 Y HA 0.279 4.835 4.550 0.009 0.000 0.327 416 Y C 0.008 175.925 175.900 0.029 0.000 1.172 416 Y CA -0.155 57.983 58.100 0.063 0.000 1.280 416 Y CB 0.644 39.170 38.460 0.111 0.000 1.234 416 Y HN 0.197 nan 8.280 nan 0.000 0.512 417 R N 2.815 122.995 120.500 -0.533 0.000 2.673 417 R HA 0.397 4.742 4.340 0.008 0.000 0.281 417 R C -0.418 175.523 176.300 -0.598 0.000 0.991 417 R CA -0.812 55.025 56.100 -0.440 0.000 0.896 417 R CB 1.773 31.952 30.300 -0.203 0.000 1.201 417 R HN 0.792 nan 8.270 nan 0.000 0.457 418 T N -1.058 113.258 114.554 -0.397 0.000 2.810 418 T HA 0.714 5.068 4.350 0.008 0.000 0.277 418 T C 0.895 175.496 174.700 -0.166 0.000 0.973 418 T CA 0.210 62.146 62.100 -0.274 0.000 0.949 418 T CB 1.229 70.004 68.868 -0.156 0.000 1.075 418 T HN 0.844 nan 8.240 nan 0.000 0.537 419 G N -0.173 108.564 108.800 -0.104 0.000 2.553 419 G HA2 0.283 4.248 3.960 0.008 0.000 0.242 419 G HA3 0.283 4.248 3.960 0.008 0.000 0.242 419 G C 0.748 175.604 174.900 -0.073 0.000 1.277 419 G CA 0.450 45.505 45.100 -0.077 0.000 0.910 419 G HN 2.570 nan 8.290 nan 0.000 0.576 420 G N -0.779 107.979 108.800 -0.071 0.000 2.198 420 G HA2 -0.031 3.934 3.960 0.008 0.000 0.257 420 G HA3 -0.031 3.934 3.960 0.008 0.000 0.257 420 G C 0.715 175.582 174.900 -0.055 0.000 1.042 420 G CA 1.453 46.511 45.100 -0.070 0.000 0.791 420 G HN 2.019 nan 8.290 nan 0.000 0.502 421 D N -1.106 119.266 120.400 -0.046 0.000 2.423 421 D HA 0.062 4.707 4.640 0.008 0.000 0.208 421 D C 2.139 178.415 176.300 -0.038 0.000 1.068 421 D CA 0.708 54.687 54.000 -0.034 0.000 0.860 421 D CB -0.239 40.548 40.800 -0.023 0.000 0.992 421 D HN 0.332 nan 8.370 nan 0.000 0.504 422 V N 1.048 120.934 119.914 -0.046 0.000 2.261 422 V HA 0.142 4.267 4.120 0.008 0.000 0.246 422 V C 1.740 177.800 176.094 -0.055 0.000 1.047 422 V CA 1.733 64.004 62.300 -0.048 0.000 1.015 422 V CB -1.272 30.521 31.823 -0.051 0.000 0.642 422 V HN 0.684 nan 8.190 nan 0.000 0.446 423 G N -1.065 107.695 108.800 -0.068 0.000 2.466 423 G HA2 -0.102 3.862 3.960 0.008 0.000 0.316 423 G HA3 -0.102 3.862 3.960 0.008 0.000 0.316 423 G C -2.140 172.705 174.900 -0.091 0.000 1.270 423 G CA -0.255 44.798 45.100 -0.079 0.000 0.982 423 G HN 0.171 nan 8.290 nan 0.000 0.506 424 P HA -0.026 nan 4.420 nan 0.000 0.216 424 P C 2.315 179.562 177.300 -0.087 0.000 1.150 424 P CA 3.100 66.137 63.100 -0.104 0.000 0.843 424 P CB -0.148 31.485 31.700 -0.113 0.000 0.787 425 A N -0.494 122.279 122.820 -0.078 0.000 1.927 425 A HA -0.240 4.084 4.320 0.008 0.000 0.220 425 A C 2.130 179.676 177.584 -0.063 0.000 1.185 425 A CA 1.880 53.876 52.037 -0.068 0.000 0.639 425 A CB -1.715 17.247 19.000 -0.063 0.000 0.820 425 A HN 0.210 nan 8.150 nan 0.000 0.451 426 L N -0.193 120.990 121.223 -0.067 0.000 2.141 426 L HA 0.011 4.356 4.340 0.008 0.000 0.209 426 L C 2.292 179.116 176.870 -0.076 0.000 1.094 426 L CA 2.134 56.934 54.840 -0.067 0.000 0.763 426 L CB -0.771 41.247 42.059 -0.070 0.000 0.908 426 L HN 0.287 nan 8.230 nan 0.000 0.437 427 G N -1.539 107.212 108.800 -0.082 0.000 2.511 427 G HA2 -0.076 3.889 3.960 0.008 0.000 0.217 427 G HA3 -0.076 3.889 3.960 0.008 0.000 0.217 427 G C 1.528 176.382 174.900 -0.077 0.000 1.133 427 G CA 0.529 45.578 45.100 -0.085 0.000 0.792 427 G HN 0.568 nan 8.290 nan 0.000 0.539 428 A N 0.953 123.732 122.820 -0.068 0.000 1.930 428 A HA 0.466 4.791 4.320 0.008 0.000 0.215 428 A C 2.668 180.224 177.584 -0.047 0.000 1.176 428 A CA 1.768 53.772 52.037 -0.055 0.000 0.632 428 A CB -0.434 18.537 19.000 -0.049 0.000 0.819 428 A HN 0.570 nan 8.150 nan 0.000 0.445 429 A N -0.743 122.048 122.820 -0.048 0.000 2.016 429 A HA -0.005 4.320 4.320 0.008 0.000 0.217 429 A C 2.196 179.715 177.584 -0.108 0.000 1.162 429 A CA 0.843 52.859 52.037 -0.034 0.000 0.662 429 A CB -0.305 18.690 19.000 -0.009 0.000 0.812 429 A HN 0.333 nan 8.150 nan 0.000 0.450 430 R N -0.221 120.207 120.500 -0.121 0.000 2.062 430 R HA 0.031 4.376 4.340 0.008 0.000 0.229 430 R C 2.006 178.211 176.300 -0.158 0.000 1.128 430 R CA 1.088 57.091 56.100 -0.162 0.000 0.960 430 R CB -0.955 29.267 30.300 -0.129 0.000 0.855 430 R HN 0.560 nan 8.270 nan 0.000 0.432 431 L N 0.395 121.550 121.223 -0.114 0.000 2.127 431 L HA -0.161 4.183 4.340 0.008 0.000 0.211 431 L C 2.566 179.383 176.870 -0.088 0.000 1.089 431 L CA 1.321 56.103 54.840 -0.096 0.000 0.757 431 L CB -0.547 41.467 42.059 -0.075 0.000 0.899 431 L HN 0.164 nan 8.230 nan 0.000 0.434 432 A N -0.908 121.866 122.820 -0.078 0.000 1.930 432 A HA -0.223 4.102 4.320 0.008 0.000 0.217 432 A C 2.242 179.773 177.584 -0.088 0.000 1.175 432 A CA 1.267 53.288 52.037 -0.026 0.000 0.627 432 A CB -0.383 18.652 19.000 0.058 0.000 0.815 432 A HN 0.418 nan 8.150 nan 0.000 0.443 433 Q N -0.894 118.707 119.800 -0.331 0.000 2.050 433 Q HA -0.186 4.159 4.340 0.008 0.000 0.202 433 Q C 1.947 177.804 176.000 -0.239 0.000 0.980 433 Q CA 1.585 57.036 55.803 -0.587 0.000 0.840 433 Q CB -0.287 28.016 28.738 -0.725 0.000 0.898 433 Q HN 0.617 nan 8.270 nan 0.000 0.424 434 I N 0.578 121.045 120.570 -0.171 0.000 2.118 434 I HA -0.298 3.877 4.170 0.008 0.000 0.241 434 I C 2.238 178.320 176.117 -0.058 0.000 1.070 434 I CA 1.706 62.944 61.300 -0.103 0.000 1.327 434 I CB -0.787 37.157 38.000 -0.094 0.000 1.034 434 I HN 0.146 nan 8.210 nan 0.000 0.405 435 A N -0.217 122.577 122.820 -0.043 0.000 2.019 435 A HA 0.001 4.326 4.320 0.008 0.000 0.219 435 A C 2.363 179.955 177.584 0.015 0.000 1.164 435 A CA 1.652 53.682 52.037 -0.012 0.000 0.644 435 A CB -0.836 18.159 19.000 -0.009 0.000 0.805 435 A HN 0.415 nan 8.150 nan 0.000 0.449 436 A N -0.804 122.038 122.820 0.037 0.000 2.132 436 A HA 0.158 4.483 4.320 0.008 0.000 0.213 436 A C 0.527 178.151 177.584 0.067 0.000 1.154 436 A CA 0.539 52.631 52.037 0.092 0.000 0.753 436 A CB -0.108 19.040 19.000 0.247 0.000 0.826 436 A HN 0.462 nan 8.150 nan 0.000 0.469 437 N N -0.244 118.469 118.700 0.022 0.000 2.813 437 N HA 0.305 5.050 4.740 0.008 0.000 0.282 437 N C -2.544 172.962 175.510 -0.006 0.000 1.748 437 N CA -1.181 51.875 53.050 0.011 0.000 0.860 437 N CB 1.099 39.583 38.487 -0.006 0.000 1.204 437 N HN 0.021 nan 8.380 nan 0.000 0.490 438 P HA -0.209 nan 4.420 nan 0.000 0.222 438 P C 1.109 178.406 177.300 -0.006 0.000 1.142 438 P CA 1.158 64.255 63.100 -0.004 0.000 0.788 438 P CB 0.391 32.093 31.700 0.003 0.000 0.767 439 E N -0.000 120.198 120.200 -0.003 0.000 2.011 439 E HA -0.056 4.299 4.350 0.008 0.000 0.191 439 E C 0.571 177.165 176.600 -0.010 0.000 0.979 439 E CA 0.802 57.199 56.400 -0.004 0.000 0.822 439 E CB -1.117 28.583 29.700 0.000 0.000 0.782 439 E HN 0.077 nan 8.360 nan 0.000 0.459 440 K N 1.930 122.322 120.400 -0.013 0.000 2.552 440 K HA 0.022 4.346 4.320 0.008 0.000 0.276 440 K C 0.691 177.276 176.600 -0.025 0.000 0.960 440 K CA 0.388 56.663 56.287 -0.020 0.000 0.961 440 K CB 0.081 32.565 32.500 -0.027 0.000 0.902 440 K HN 0.396 nan 8.250 nan 0.000 0.515 441 S N 0.860 116.544 115.700 -0.026 0.000 2.654 441 S HA 0.290 4.765 4.470 0.008 0.000 0.283 441 S C 1.659 176.236 174.600 -0.038 0.000 1.180 441 S CA -0.940 57.243 58.200 -0.028 0.000 1.021 441 S CB 0.847 64.034 63.200 -0.022 0.000 1.018 441 S HN 0.490 nan 8.310 nan 0.000 0.532 442 L N 0.675 121.873 121.223 -0.042 0.000 2.013 442 L HA -0.172 4.173 4.340 0.008 0.000 0.212 442 L C 2.145 178.986 176.870 -0.049 0.000 1.073 442 L CA 1.370 56.178 54.840 -0.053 0.000 0.753 442 L CB -0.973 41.053 42.059 -0.054 0.000 0.890 442 L HN 0.654 nan 8.230 nan 0.000 0.432 443 I N -0.052 120.495 120.570 -0.037 0.000 2.479 443 I HA -0.307 3.868 4.170 0.008 0.000 0.258 443 I C 2.328 178.424 176.117 -0.035 0.000 1.165 443 I CA 1.569 62.850 61.300 -0.032 0.000 1.422 443 I CB -0.591 37.395 38.000 -0.023 0.000 1.087 443 I HN 0.322 nan 8.210 nan 0.000 0.441 444 E N -0.474 119.703 120.200 -0.039 0.000 2.276 444 E HA 0.102 4.456 4.350 0.008 0.000 0.193 444 E C 1.932 178.499 176.600 -0.054 0.000 0.983 444 E CA 0.433 56.809 56.400 -0.040 0.000 0.861 444 E CB 0.072 29.751 29.700 -0.035 0.000 0.817 444 E HN 0.446 nan 8.360 nan 0.000 0.485 445 L N 0.515 121.697 121.223 -0.067 0.000 2.585 445 L HA 0.201 4.546 4.340 0.008 0.000 0.226 445 L C 0.723 177.536 176.870 -0.094 0.000 1.113 445 L CA 0.154 54.938 54.840 -0.092 0.000 0.876 445 L CB 0.397 42.388 42.059 -0.114 0.000 1.072 445 L HN 0.027 nan 8.230 nan 0.000 0.468 446 L N 2.969 124.145 121.223 -0.078 0.000 2.599 446 L HA 0.339 4.684 4.340 0.008 0.000 0.241 446 L C -2.004 174.829 176.870 -0.062 0.000 1.207 446 L CA -1.326 53.468 54.840 -0.076 0.000 0.987 446 L CB 0.588 42.600 42.059 -0.077 0.000 1.318 446 L HN -0.049 nan 8.230 nan 0.000 0.458 447 P HA 0.209 nan 4.420 nan 0.000 0.275 447 P C -0.857 176.410 177.300 -0.055 0.000 1.266 447 P CA -0.365 62.703 63.100 -0.053 0.000 0.793 447 P CB 1.363 33.032 31.700 -0.052 0.000 1.074 448 Q N -0.710 119.060 119.800 -0.050 0.000 2.333 448 Q HA 0.496 4.840 4.340 0.008 0.000 0.266 448 Q C -0.223 175.740 176.000 -0.061 0.000 1.053 448 Q CA -1.210 54.560 55.803 -0.055 0.000 0.890 448 Q CB 1.182 29.893 28.738 -0.045 0.000 1.337 448 Q HN 0.334 nan 8.270 nan 0.000 0.474 449 L N 2.874 124.055 121.223 -0.071 0.000 2.439 449 L HA 0.229 4.574 4.340 0.008 0.000 0.269 449 L C -1.920 174.902 176.870 -0.080 0.000 1.179 449 L CA -1.734 53.057 54.840 -0.082 0.000 0.828 449 L CB 0.018 42.015 42.059 -0.103 0.000 1.106 449 L HN 0.347 nan 8.230 nan 0.000 0.467 450 P HA -0.041 nan 4.420 nan 0.000 0.263 450 P C -0.296 176.955 177.300 -0.081 0.000 1.195 450 P CA -0.044 63.016 63.100 -0.067 0.000 0.762 450 P CB 0.607 32.273 31.700 -0.057 0.000 0.799 451 L N 2.939 124.126 121.223 -0.059 0.000 2.578 451 L HA -0.109 4.236 4.340 0.008 0.000 0.279 451 L C 1.588 178.432 176.870 -0.043 0.000 1.227 451 L CA 0.608 55.418 54.840 -0.051 0.000 0.900 451 L CB 0.356 42.398 42.059 -0.027 0.000 1.144 451 L HN 0.461 nan 8.230 nan 0.000 0.496 452 E N 2.906 123.082 120.200 -0.039 0.000 2.434 452 E HA 0.141 4.496 4.350 0.008 0.000 0.207 452 E C -0.339 176.338 176.600 0.128 0.000 0.929 452 E CA 0.216 56.636 56.400 0.033 0.000 1.001 452 E CB 0.622 30.301 29.700 -0.034 0.000 1.016 452 E HN 0.635 nan 8.360 nan 0.000 0.502 453 Q N -1.076 118.787 119.800 0.105 0.000 2.959 453 Q HA 0.290 4.635 4.340 0.008 0.000 0.288 453 Q C -1.943 174.032 176.000 -0.041 0.000 0.911 453 Q CA -0.371 55.438 55.803 0.010 0.000 0.800 453 Q CB 0.840 29.581 28.738 0.005 0.000 1.645 453 Q HN -0.002 nan 8.270 nan 0.000 0.454 454 S N 0.895 116.485 115.700 -0.184 0.000 2.614 454 S HA 0.550 5.025 4.470 0.008 0.000 0.288 454 S C -1.862 172.580 174.600 -0.263 0.000 1.137 454 S CA -0.485 57.641 58.200 -0.123 0.000 0.992 454 S CB 0.779 63.948 63.200 -0.053 0.000 1.026 454 S HN 0.536 nan 8.310 nan 0.000 0.486 455 H N 4.433 123.513 119.070 0.016 0.000 2.511 455 H HA 0.457 5.017 4.556 0.007 0.000 0.328 455 H C -0.984 174.335 175.328 -0.015 0.000 1.044 455 H CA -0.463 55.583 56.048 -0.003 0.000 1.212 455 H CB 1.239 30.987 29.762 -0.023 0.000 1.428 455 H HN 0.354 nan 8.280 nan 0.000 0.483 456 L N 5.684 126.958 121.223 0.085 0.000 2.317 456 L HA 0.334 4.679 4.340 0.008 0.000 0.281 456 L C -2.011 174.879 176.870 0.034 0.000 1.024 456 L CA -2.029 52.830 54.840 0.032 0.000 0.810 456 L CB 0.869 42.933 42.059 0.009 0.000 1.240 456 L HN 0.432 nan 8.230 nan 0.000 0.427 457 P HA -0.011 nan 4.420 nan 0.000 0.267 457 P C -0.817 176.505 177.300 0.037 0.000 1.209 457 P CA -0.177 62.918 63.100 -0.009 0.000 0.763 457 P CB 0.620 32.229 31.700 -0.153 0.000 0.816 458 D N 2.680 123.144 120.400 0.107 0.000 2.346 458 D HA 0.244 4.889 4.640 0.008 0.000 0.260 458 D C 1.562 177.964 176.300 0.170 0.000 1.252 458 D CA -0.089 53.984 54.000 0.120 0.000 0.895 458 D CB 0.587 41.466 40.800 0.133 0.000 1.097 458 D HN 0.321 nan 8.370 nan 0.000 0.489 459 A N 3.719 126.619 122.820 0.134 0.000 1.948 459 A HA -0.315 4.009 4.320 0.008 0.000 0.220 459 A C 1.925 179.624 177.584 0.191 0.000 1.177 459 A CA 1.670 53.817 52.037 0.183 0.000 0.636 459 A CB -0.466 18.602 19.000 0.114 0.000 0.815 459 A HN 0.770 nan 8.150 nan 0.000 0.449 460 Q N -0.879 118.998 119.800 0.129 0.000 1.942 460 Q HA -0.167 4.178 4.340 0.008 0.000 0.203 460 Q C 2.416 178.469 176.000 0.088 0.000 0.987 460 Q CA 1.866 57.723 55.803 0.090 0.000 0.844 460 Q CB -0.230 28.548 28.738 0.066 0.000 0.911 460 Q HN 0.632 nan 8.270 nan 0.000 0.423 461 R N -0.547 120.019 120.500 0.111 0.000 2.120 461 R HA -0.179 4.166 4.340 0.008 0.000 0.234 461 R C 2.196 178.627 176.300 0.219 0.000 1.123 461 R CA 1.429 57.583 56.100 0.091 0.000 0.975 461 R CB -0.393 30.006 30.300 0.165 0.000 0.866 461 R HN 0.360 nan 8.270 nan 0.000 0.446 462 Y N 1.049 121.458 120.300 0.181 0.000 2.145 462 Y HA -0.264 4.290 4.550 0.006 0.000 0.286 462 Y C 2.319 178.312 175.900 0.154 0.000 1.145 462 Y CA 1.650 59.868 58.100 0.196 0.000 1.148 462 Y CB -0.179 38.349 38.460 0.113 0.000 0.981 462 Y HN 0.054 nan 8.280 nan 0.000 0.507 463 A N 0.244 123.044 122.820 -0.034 0.000 1.969 463 A HA -0.037 4.288 4.320 0.008 0.000 0.218 463 A C 2.273 179.793 177.584 -0.106 0.000 1.169 463 A CA 1.453 53.414 52.037 -0.127 0.000 0.635 463 A CB -1.259 17.751 19.000 0.018 0.000 0.810 463 A HN 0.615 nan 8.150 nan 0.000 0.445 464 A N -1.892 120.891 122.820 -0.063 0.000 2.016 464 A HA 0.048 4.373 4.320 0.008 0.000 0.217 464 A C 2.018 179.568 177.584 -0.057 0.000 1.162 464 A CA 1.051 53.041 52.037 -0.078 0.000 0.662 464 A CB -0.598 18.325 19.000 -0.128 0.000 0.812 464 A HN 0.614 nan 8.150 nan 0.000 0.450 465 Y N -0.162 120.116 120.300 -0.037 0.000 2.243 465 Y HA -0.190 4.372 4.550 0.020 0.000 0.293 465 Y C 2.787 178.606 175.900 -0.135 0.000 1.124 465 Y CA 0.954 59.049 58.100 -0.008 0.000 1.159 465 Y CB 0.061 38.550 38.460 0.048 0.000 1.008 465 Y HN 0.256 nan 8.280 nan 0.000 0.527 466 Q N -0.204 119.539 119.800 -0.094 0.000 2.173 466 Q HA -0.200 4.145 4.340 0.008 0.000 0.208 466 Q C -0.773 175.161 176.000 -0.110 0.000 0.989 466 Q CA 1.679 57.378 55.803 -0.174 0.000 0.872 466 Q CB -1.903 26.666 28.738 -0.280 0.000 0.909 466 Q HN 0.468 nan 8.270 nan 0.000 0.420 467 P HA 0.017 nan 4.420 nan 0.000 0.222 467 P C 1.195 178.493 177.300 -0.004 0.000 1.157 467 P CA 0.634 63.718 63.100 -0.026 0.000 0.816 467 P CB 0.139 31.839 31.700 0.001 0.000 0.813 468 R N -0.141 120.387 120.500 0.047 0.000 2.081 468 R HA -0.057 4.288 4.340 0.008 0.000 0.235 468 R C 2.019 178.119 176.300 -0.334 0.000 1.131 468 R CA 1.056 57.225 56.100 0.115 0.000 0.960 468 R CB -0.992 29.561 30.300 0.423 0.000 0.856 468 R HN 0.202 nan 8.270 nan 0.000 0.436 469 R N 1.550 121.760 120.500 -0.483 0.000 2.369 469 R HA -0.056 4.289 4.340 0.008 0.000 0.200 469 R C 0.025 176.123 176.300 -0.336 0.000 1.046 469 R CA 0.359 56.037 56.100 -0.702 0.000 1.057 469 R CB 0.192 30.172 30.300 -0.533 0.000 0.888 469 R HN 0.069 nan 8.270 nan 0.000 0.474 470 E N -0.272 119.796 120.200 -0.219 0.000 2.335 470 E HA -0.016 4.339 4.350 0.008 0.000 0.191 470 E C 1.084 177.614 176.600 -0.117 0.000 1.077 470 E CA 0.340 56.670 56.400 -0.115 0.000 1.010 470 E CB 0.776 30.446 29.700 -0.050 0.000 1.141 470 E HN 0.420 nan 8.360 nan 0.000 0.452 471 T N -3.232 111.190 114.554 -0.220 0.000 3.087 471 T HA 0.057 4.412 4.350 0.008 0.000 0.237 471 T C 1.125 175.692 174.700 -0.221 0.000 0.990 471 T CA -0.172 61.751 62.100 -0.295 0.000 1.160 471 T CB -0.451 67.993 68.868 -0.706 0.000 0.923 471 T HN -0.031 nan 8.240 nan 0.000 0.442 472 F N 2.666 122.436 119.950 -0.301 0.000 2.778 472 F HA 0.487 5.019 4.527 0.007 0.000 0.295 472 F C 1.526 177.228 175.800 -0.163 0.000 1.262 472 F CA -0.635 57.259 58.000 -0.177 0.000 1.429 472 F CB -0.614 38.248 39.000 -0.230 0.000 1.072 472 F HN 0.192 nan 8.300 nan 0.000 0.514 473 R N -0.113 120.363 120.500 -0.041 0.000 2.520 473 R HA 0.279 4.624 4.340 0.008 0.000 0.108 473 R C 1.948 178.231 176.300 -0.028 0.000 1.329 473 R CA -0.472 55.605 56.100 -0.038 0.000 1.130 473 R CB 0.401 30.668 30.300 -0.054 0.000 0.965 473 R HN -0.075 nan 8.270 nan 0.000 0.405 474 R N 1.361 121.841 120.500 -0.033 0.000 2.193 474 R HA -0.084 4.261 4.340 0.008 0.000 0.229 474 R C 2.130 178.401 176.300 -0.048 0.000 1.110 474 R CA 0.828 56.911 56.100 -0.028 0.000 0.988 474 R CB -0.730 29.558 30.300 -0.021 0.000 0.871 474 R HN 0.440 nan 8.270 nan 0.000 0.458 475 L N -0.147 121.030 121.223 -0.077 0.000 2.044 475 L HA -0.128 4.217 4.340 0.008 0.000 0.205 475 L C 2.291 179.072 176.870 -0.149 0.000 1.075 475 L CA 1.208 55.976 54.840 -0.120 0.000 0.747 475 L CB -0.264 41.690 42.059 -0.174 0.000 0.903 475 L HN 0.073 nan 8.230 nan 0.000 0.435 476 Y N -0.640 119.484 120.300 -0.293 0.000 2.516 476 Y HA -0.225 4.329 4.550 0.007 0.000 0.291 476 Y C 2.420 178.243 175.900 -0.129 0.000 1.131 476 Y CA 1.070 59.017 58.100 -0.255 0.000 1.281 476 Y CB 0.287 38.548 38.460 -0.332 0.000 1.013 476 Y HN 0.261 nan 8.280 nan 0.000 0.554 477 Q N -0.645 119.191 119.800 0.059 0.000 2.349 477 Q HA -0.029 4.316 4.340 0.008 0.000 0.209 477 Q C 1.876 177.841 176.000 -0.057 0.000 0.920 477 Q CA 0.753 56.585 55.803 0.048 0.000 0.901 477 Q CB -0.019 28.756 28.738 0.062 0.000 1.021 477 Q HN 0.236 nan 8.270 nan 0.000 0.519 478 Q N -0.338 119.406 119.800 -0.093 0.000 2.488 478 Q HA 0.039 4.384 4.340 0.008 0.000 0.211 478 Q C 1.252 177.135 176.000 -0.195 0.000 0.967 478 Q CA 0.644 56.379 55.803 -0.114 0.000 0.926 478 Q CB 0.331 29.015 28.738 -0.091 0.000 0.992 478 Q HN 0.405 nan 8.270 nan 0.000 0.506 479 L N -0.112 120.923 121.223 -0.315 0.000 2.515 479 L HA 0.118 4.463 4.340 0.008 0.000 0.223 479 L C 0.210 176.671 176.870 -0.681 0.000 1.079 479 L CA 0.015 54.519 54.840 -0.561 0.000 0.857 479 L CB 0.299 41.872 42.059 -0.810 0.000 1.050 479 L HN 0.098 nan 8.230 nan 0.000 0.476 480 L N -1.292 119.673 121.223 -0.430 0.000 2.349 480 L HA 0.426 4.771 4.340 0.008 0.000 0.275 480 L C -1.811 174.997 176.870 -0.104 0.000 1.115 480 L CA -1.467 53.262 54.840 -0.185 0.000 0.820 480 L CB -1.169 40.904 42.059 0.023 0.000 1.135 480 L HN -0.134 nan 8.230 nan 0.000 0.445 481 P HA -0.198 nan 4.420 nan 0.000 0.014 481 P C -0.330 176.951 177.300 -0.032 0.000 0.564 481 P CA 0.397 63.462 63.100 -0.059 0.000 1.034 481 P CB -0.748 30.890 31.700 -0.104 0.000 1.907 482 L N 0.000 121.330 121.223 0.179 0.000 2.949 482 L HA 0.000 4.345 4.340 0.008 0.000 0.249 482 L CA 0.000 55.104 54.840 0.439 0.000 0.813 482 L CB 0.000 42.049 42.059 -0.017 0.000 0.961 482 L HN 0.000 nan 8.230 nan 0.000 0.502