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 3ab4_1_K DATA FIRST_RESID 2 DATA SEQUENCE ALVVQKYGGS SLESAERIRN VAERIVATKK AGNDVVVVCS AMGDTTDELL DATA SEQUENCE ELAAAVNPVP PAREMDMLLT AGERISNALV AMAIESLGAE AQSFTXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXGRV REALDEGKIC IVAXXXXXXX XTRDVTTLGR DATA SEQUENCE GGSDTTAVAL AAALNADVCE IYSDVDGVYT ADPRIVPNAQ KLEKLSFEEM DATA SEQUENCE LELAAVGSKI LVLRSVEYAR AFNVPLRVRS SYSNDPGTLI AGSMEDIPVE DATA SEQUENCE EAVLTGVATD KSEAKVTVLG ISDKPGEAAK VFRALADAEI NIDMVLQNVF DATA SEQUENCE XXXXGTTDIT FTCPRSDGRR AMEILKKLQV QGNWTNVLYD DQVGKVSLVG DATA SEQUENCE AGMKSHPGVT AEFMEALRDV NVNIELISTS EIRISVLIRE DDLDAAARAL DATA SEQUENCE HEQFQLG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.594 177.584 0.016 0.000 1.274 2 A CA 0.000 52.046 52.037 0.016 0.000 0.836 2 A CB 0.000 19.010 19.000 0.017 0.000 0.831 3 L N 1.663 122.895 121.223 0.014 0.000 2.277 3 L HA 0.676 5.016 4.340 0.001 0.000 0.284 3 L C -1.020 175.860 176.870 0.016 0.000 1.028 3 L CA -0.728 54.120 54.840 0.012 0.000 0.835 3 L CB 0.891 42.953 42.059 0.004 0.000 1.215 3 L HN 0.808 nan 8.230 nan 0.000 0.425 4 V N 6.629 126.558 119.914 0.024 0.000 2.409 4 V HA 0.459 4.579 4.120 0.001 0.000 0.291 4 V C -0.572 175.543 176.094 0.035 0.000 1.020 4 V CA -0.323 61.996 62.300 0.032 0.000 0.848 4 V CB 2.029 33.880 31.823 0.047 0.000 0.990 4 V HN 0.454 nan 8.190 nan 0.000 0.430 5 V N 7.178 127.108 119.914 0.026 0.000 2.481 5 V HA 0.526 4.647 4.120 0.001 0.000 0.286 5 V C -0.042 176.073 176.094 0.035 0.000 1.042 5 V CA -0.320 61.993 62.300 0.021 0.000 0.928 5 V CB 1.565 33.384 31.823 -0.006 0.000 0.986 5 V HN 0.968 nan 8.190 nan 0.000 0.462 6 Q N 3.721 123.550 119.800 0.047 0.000 2.304 6 Q HA 0.452 4.792 4.340 0.001 0.000 0.270 6 Q C -0.917 175.072 176.000 -0.017 0.000 1.035 6 Q CA -0.703 55.121 55.803 0.034 0.000 0.781 6 Q CB 2.802 31.585 28.738 0.074 0.000 1.261 6 Q HN 0.525 nan 8.270 nan 0.000 0.444 7 K N 2.987 123.331 120.400 -0.095 0.000 2.292 7 K HA 0.380 4.701 4.320 0.001 0.000 0.257 7 K C -1.747 174.744 176.600 -0.182 0.000 0.940 7 K CA -0.465 55.787 56.287 -0.058 0.000 0.811 7 K CB 0.980 33.465 32.500 -0.025 0.000 1.120 7 K HN 0.572 nan 8.250 nan 0.000 0.428 8 Y N 0.712 121.054 120.300 0.070 0.000 2.364 8 Y HA 0.384 4.935 4.550 0.001 0.000 0.340 8 Y C 0.985 176.905 175.900 0.033 0.000 0.975 8 Y CA -0.553 57.580 58.100 0.054 0.000 1.089 8 Y CB 2.037 40.481 38.460 -0.027 0.000 1.192 8 Y HN 0.742 nan 8.280 nan 0.000 0.454 9 G N 0.648 109.545 108.800 0.161 0.000 2.580 9 G HA2 0.355 4.315 3.960 0.001 0.000 0.278 9 G HA3 0.355 4.315 3.960 0.001 0.000 0.278 9 G C 1.047 175.999 174.900 0.087 0.000 1.212 9 G CA -0.235 44.924 45.100 0.099 0.000 0.939 9 G HN 0.869 nan 8.290 nan 0.000 0.513 10 G N -0.130 108.707 108.800 0.062 0.000 2.476 10 G HA2 -0.268 3.693 3.960 0.001 0.000 0.218 10 G HA3 -0.268 3.693 3.960 0.001 0.000 0.218 10 G C 2.206 177.134 174.900 0.046 0.000 1.164 10 G CA 2.164 47.293 45.100 0.048 0.000 0.768 10 G HN 1.022 nan 8.290 nan 0.000 0.560 11 S N 0.352 116.085 115.700 0.056 0.000 2.382 11 S HA -0.097 4.374 4.470 0.001 0.000 0.228 11 S C 2.382 177.004 174.600 0.036 0.000 1.027 11 S CA 1.754 59.991 58.200 0.061 0.000 0.991 11 S CB -0.539 62.713 63.200 0.087 0.000 0.823 11 S HN 0.205 nan 8.310 nan 0.000 0.469 12 S N 1.383 117.099 115.700 0.028 0.000 2.419 12 S HA 0.178 4.649 4.470 0.001 0.000 0.233 12 S C 1.088 175.665 174.600 -0.039 0.000 1.016 12 S CA 0.963 59.155 58.200 -0.013 0.000 0.974 12 S CB -0.362 62.910 63.200 0.120 0.000 0.786 12 S HN 0.517 nan 8.310 nan 0.000 0.492 13 L N 1.168 122.386 121.223 -0.009 0.000 3.141 13 L HA 0.265 4.605 4.340 0.001 0.000 0.267 13 L C 1.630 178.493 176.870 -0.011 0.000 1.281 13 L CA -0.079 54.743 54.840 -0.030 0.000 1.037 13 L CB 0.107 42.153 42.059 -0.022 0.000 1.407 13 L HN 0.269 nan 8.230 nan 0.000 0.566 14 E N 0.704 120.907 120.200 0.004 0.000 2.427 14 E HA -0.031 4.319 4.350 0.001 0.000 0.196 14 E C 0.328 176.933 176.600 0.009 0.000 1.028 14 E CA 0.617 57.026 56.400 0.015 0.000 0.864 14 E CB 0.421 30.141 29.700 0.033 0.000 0.813 14 E HN 0.423 nan 8.360 nan 0.000 0.514 15 S N -1.972 113.728 115.700 -0.000 0.000 2.588 15 S HA 0.619 5.089 4.470 0.001 0.000 0.269 15 S C 0.662 175.253 174.600 -0.014 0.000 1.157 15 S CA -0.490 57.709 58.200 -0.001 0.000 0.824 15 S CB 1.190 64.396 63.200 0.010 0.000 1.126 15 S HN 0.064 nan 8.310 nan 0.000 0.464 16 A N 1.462 124.273 122.820 -0.014 0.000 1.873 16 A HA -0.188 4.132 4.320 0.001 0.000 0.218 16 A C 2.034 179.602 177.584 -0.025 0.000 1.193 16 A CA 2.258 54.282 52.037 -0.021 0.000 0.629 16 A CB -1.531 17.459 19.000 -0.016 0.000 0.826 16 A HN 1.092 nan 8.150 nan 0.000 0.447 17 E N -0.500 119.692 120.200 -0.014 0.000 2.110 17 E HA -0.217 4.134 4.350 0.001 0.000 0.193 17 E C 2.050 178.638 176.600 -0.019 0.000 0.988 17 E CA 1.230 57.623 56.400 -0.011 0.000 0.804 17 E CB -0.320 29.383 29.700 0.005 0.000 0.745 17 E HN 0.590 nan 8.360 nan 0.000 0.458 18 R N 0.234 120.722 120.500 -0.018 0.000 2.115 18 R HA 0.069 4.410 4.340 0.001 0.000 0.226 18 R C 2.427 178.671 176.300 -0.093 0.000 1.100 18 R CA 1.112 57.188 56.100 -0.040 0.000 0.980 18 R CB -0.240 30.048 30.300 -0.020 0.000 0.875 18 R HN 0.314 nan 8.270 nan 0.000 0.445 19 I N 0.425 120.944 120.570 -0.085 0.000 2.315 19 I HA -0.237 3.934 4.170 0.001 0.000 0.248 19 I C 2.286 178.326 176.117 -0.128 0.000 1.117 19 I CA 1.284 62.513 61.300 -0.118 0.000 1.404 19 I CB -0.097 37.852 38.000 -0.084 0.000 1.071 19 I HN 0.057 nan 8.210 nan 0.000 0.419 20 R N 0.446 120.893 120.500 -0.089 0.000 2.092 20 R HA -0.134 4.207 4.340 0.001 0.000 0.231 20 R C 2.215 178.459 176.300 -0.093 0.000 1.119 20 R CA 1.154 57.207 56.100 -0.080 0.000 0.970 20 R CB -0.418 29.852 30.300 -0.049 0.000 0.864 20 R HN 0.364 nan 8.270 nan 0.000 0.440 21 N N 0.498 119.143 118.700 -0.091 0.000 2.166 21 N HA -0.130 4.611 4.740 0.001 0.000 0.186 21 N C 1.476 176.891 175.510 -0.159 0.000 1.019 21 N CA 1.250 54.245 53.050 -0.091 0.000 0.856 21 N CB 0.228 38.677 38.487 -0.063 0.000 0.993 21 N HN 0.046 nan 8.380 nan 0.000 0.426 22 V N 1.428 121.190 119.914 -0.253 0.000 2.453 22 V HA -0.105 4.015 4.120 0.001 0.000 0.247 22 V C 2.569 178.441 176.094 -0.370 0.000 1.048 22 V CA 1.508 63.532 62.300 -0.461 0.000 1.049 22 V CB -0.802 30.599 31.823 -0.703 0.000 0.672 22 V HN 0.344 nan 8.190 nan 0.000 0.457 23 A N -0.260 122.415 122.820 -0.242 0.000 1.865 23 A HA -0.300 4.020 4.320 0.001 0.000 0.217 23 A C 2.251 179.765 177.584 -0.117 0.000 1.191 23 A CA 2.069 54.009 52.037 -0.161 0.000 0.623 23 A CB -0.678 18.254 19.000 -0.113 0.000 0.826 23 A HN 0.570 nan 8.150 nan 0.000 0.444 24 E N -0.674 119.468 120.200 -0.097 0.000 2.169 24 E HA -0.308 4.043 4.350 0.001 0.000 0.202 24 E C 2.185 178.753 176.600 -0.053 0.000 1.016 24 E CA 1.873 58.236 56.400 -0.061 0.000 0.817 24 E CB -0.082 29.589 29.700 -0.048 0.000 0.736 24 E HN 0.642 nan 8.360 nan 0.000 0.462 25 R N -0.195 120.257 120.500 -0.079 0.000 2.206 25 R HA 0.094 4.435 4.340 0.001 0.000 0.198 25 R C 2.247 178.522 176.300 -0.042 0.000 0.986 25 R CA 0.321 56.389 56.100 -0.053 0.000 1.029 25 R CB -0.006 30.256 30.300 -0.064 0.000 0.966 25 R HN 0.152 nan 8.270 nan 0.000 0.487 26 I N 0.569 121.093 120.570 -0.077 0.000 2.226 26 I HA -0.224 3.947 4.170 0.001 0.000 0.245 26 I C 1.839 177.948 176.117 -0.013 0.000 1.100 26 I CA 1.005 62.287 61.300 -0.031 0.000 1.374 26 I CB 0.007 37.969 38.000 -0.063 0.000 1.057 26 I HN 0.042 nan 8.210 nan 0.000 0.413 27 V N 0.825 120.723 119.914 -0.026 0.000 2.323 27 V HA -0.198 3.923 4.120 0.001 0.000 0.244 27 V C 2.714 178.807 176.094 -0.002 0.000 1.041 27 V CA 1.702 63.994 62.300 -0.013 0.000 1.025 27 V CB -0.951 30.860 31.823 -0.020 0.000 0.656 27 V HN 0.456 nan 8.190 nan 0.000 0.451 28 A N 0.099 122.917 122.820 -0.003 0.000 1.917 28 A HA -0.274 4.046 4.320 0.001 0.000 0.219 28 A C 2.388 179.983 177.584 0.018 0.000 1.182 28 A CA 2.720 54.762 52.037 0.008 0.000 0.633 28 A CB -1.061 17.945 19.000 0.010 0.000 0.819 28 A HN 0.510 nan 8.150 nan 0.000 0.448 29 T N -0.365 114.203 114.554 0.024 0.000 2.746 29 T HA -0.137 4.214 4.350 0.001 0.000 0.267 29 T C 2.032 176.750 174.700 0.030 0.000 1.039 29 T CA 1.788 63.910 62.100 0.037 0.000 1.142 29 T CB -0.177 68.722 68.868 0.052 0.000 0.866 29 T HN 0.554 nan 8.240 nan 0.000 0.444 30 K N 1.767 122.181 120.400 0.023 0.000 2.002 30 K HA -0.032 4.288 4.320 0.001 0.000 0.209 30 K C 2.029 178.639 176.600 0.016 0.000 1.048 30 K CA 1.619 57.917 56.287 0.019 0.000 0.930 30 K CB -0.320 32.189 32.500 0.015 0.000 0.714 30 K HN 0.178 nan 8.250 nan 0.000 0.438 31 K N -0.190 120.218 120.400 0.013 0.000 2.280 31 K HA -0.026 4.295 4.320 0.001 0.000 0.202 31 K C 1.887 178.496 176.600 0.014 0.000 1.047 31 K CA 0.982 57.276 56.287 0.012 0.000 0.942 31 K CB -0.160 32.346 32.500 0.009 0.000 0.739 31 K HN 0.297 nan 8.250 nan 0.000 0.457 32 A N 0.499 123.330 122.820 0.018 0.000 2.015 32 A HA 0.060 4.381 4.320 0.001 0.000 0.219 32 A C 1.253 178.848 177.584 0.018 0.000 1.163 32 A CA 1.272 53.321 52.037 0.020 0.000 0.646 32 A CB -0.153 18.863 19.000 0.026 0.000 0.806 32 A HN 0.379 nan 8.150 nan 0.000 0.448 33 G N -0.850 107.961 108.800 0.018 0.000 2.441 33 G HA2 -0.045 3.916 3.960 0.001 0.000 0.139 33 G HA3 -0.045 3.916 3.960 0.001 0.000 0.139 33 G C -0.769 174.141 174.900 0.018 0.000 1.067 33 G CA -0.171 44.939 45.100 0.016 0.000 0.766 33 G HN 0.557 nan 8.290 nan 0.000 0.484 34 N N 0.402 119.114 118.700 0.020 0.000 2.242 34 N HA 0.537 5.277 4.740 0.001 0.000 0.292 34 N C -1.607 173.916 175.510 0.022 0.000 1.125 34 N CA -1.079 51.985 53.050 0.023 0.000 0.783 34 N CB 1.740 40.245 38.487 0.029 0.000 1.558 34 N HN 0.013 nan 8.380 nan 0.000 0.472 35 D N 1.073 121.485 120.400 0.021 0.000 2.256 35 D HA 0.294 4.935 4.640 0.001 0.000 0.250 35 D C -0.792 175.523 176.300 0.025 0.000 1.093 35 D CA -0.065 53.947 54.000 0.021 0.000 0.882 35 D CB 1.809 42.618 40.800 0.015 0.000 1.185 35 D HN 0.159 nan 8.370 nan 0.000 0.437 36 V N 2.308 122.240 119.914 0.030 0.000 2.623 36 V HA 0.548 4.668 4.120 0.001 0.000 0.304 36 V C -1.212 174.907 176.094 0.042 0.000 1.054 36 V CA -0.705 61.619 62.300 0.039 0.000 0.882 36 V CB 1.902 33.754 31.823 0.048 0.000 1.002 36 V HN 0.296 nan 8.190 nan 0.000 0.424 37 V N 7.091 127.028 119.914 0.038 0.000 2.487 37 V HA 0.897 5.018 4.120 0.001 0.000 0.298 37 V C -0.926 175.201 176.094 0.056 0.000 1.028 37 V CA 0.025 62.349 62.300 0.039 0.000 0.860 37 V CB 1.675 33.497 31.823 -0.001 0.000 0.991 37 V HN 1.560 nan 8.190 nan 0.000 0.427 38 V N 6.876 126.838 119.914 0.078 0.000 2.715 38 V HA 0.865 4.986 4.120 0.001 0.000 0.310 38 V C -0.912 175.240 176.094 0.097 0.000 1.054 38 V CA -0.196 62.173 62.300 0.114 0.000 0.928 38 V CB 2.177 34.097 31.823 0.163 0.000 1.007 38 V HN 0.936 nan 8.190 nan 0.000 0.437 39 V N 5.147 125.124 119.914 0.105 0.000 2.540 39 V HA 0.533 4.654 4.120 0.001 0.000 0.302 39 V C -0.311 175.854 176.094 0.118 0.000 1.035 39 V CA -0.439 61.909 62.300 0.080 0.000 0.873 39 V CB 1.547 33.390 31.823 0.034 0.000 0.992 39 V HN 1.087 nan 8.190 nan 0.000 0.428 40 C N 2.860 122.215 119.300 0.093 0.000 2.417 40 C HA 0.677 5.138 4.460 0.001 0.000 0.324 40 C C 0.875 175.905 174.990 0.066 0.000 1.240 40 C CA -0.489 58.588 59.018 0.098 0.000 1.632 40 C CB 1.493 29.268 27.740 0.059 0.000 2.241 40 C HN 0.907 nan 8.230 nan 0.000 0.499 41 S N 1.294 117.037 115.700 0.071 0.000 2.632 41 S HA 0.601 5.072 4.470 0.001 0.000 0.267 41 S C 0.430 175.052 174.600 0.038 0.000 1.276 41 S CA -0.445 57.784 58.200 0.049 0.000 0.998 41 S CB 0.802 64.034 63.200 0.053 0.000 0.953 41 S HN 1.008 nan 8.310 nan 0.000 0.547 42 A N 1.830 124.667 122.820 0.029 0.000 2.466 42 A HA 0.295 4.615 4.320 0.001 0.000 0.238 42 A C 0.340 177.937 177.584 0.022 0.000 1.074 42 A CA -0.037 52.013 52.037 0.021 0.000 0.774 42 A CB -0.263 18.749 19.000 0.019 0.000 1.015 42 A HN 0.801 nan 8.150 nan 0.000 0.498 43 M N 2.013 121.622 119.600 0.015 0.000 2.238 43 M HA 0.287 4.768 4.480 0.001 0.000 0.350 43 M C 1.588 177.900 176.300 0.019 0.000 1.321 43 M CA 1.411 56.719 55.300 0.013 0.000 1.097 43 M CB -0.055 32.548 32.600 0.005 0.000 1.713 43 M HN 1.276 nan 8.290 nan 0.000 0.455 44 G N 3.137 111.951 108.800 0.024 0.000 2.698 44 G HA2 -0.323 3.638 3.960 0.001 0.000 0.337 44 G HA3 -0.323 3.638 3.960 0.001 0.000 0.337 44 G C 0.415 175.333 174.900 0.029 0.000 1.196 44 G CA 0.762 45.879 45.100 0.029 0.000 0.965 44 G HN 0.764 nan 8.290 nan 0.000 0.550 45 D N 1.028 121.444 120.400 0.025 0.000 2.431 45 D HA 0.179 4.819 4.640 0.001 0.000 0.213 45 D C 2.492 178.804 176.300 0.021 0.000 1.130 45 D CA 1.222 55.237 54.000 0.024 0.000 0.834 45 D CB -0.064 40.750 40.800 0.023 0.000 0.985 45 D HN 0.636 nan 8.370 nan 0.000 0.504 46 T N -1.880 112.686 114.554 0.019 0.000 2.778 46 T HA -0.191 4.159 4.350 0.001 0.000 0.269 46 T C 1.935 176.645 174.700 0.016 0.000 1.050 46 T CA 1.591 63.700 62.100 0.016 0.000 1.137 46 T CB -0.534 68.342 68.868 0.013 0.000 0.860 46 T HN -0.104 nan 8.240 nan 0.000 0.468 47 T N 1.682 116.247 114.554 0.019 0.000 2.746 47 T HA -0.093 4.257 4.350 0.001 0.000 0.267 47 T C 1.711 176.422 174.700 0.018 0.000 1.039 47 T CA 1.549 63.660 62.100 0.019 0.000 1.142 47 T CB -0.573 68.308 68.868 0.021 0.000 0.866 47 T HN 0.458 nan 8.240 nan 0.000 0.444 48 D N 0.932 121.344 120.400 0.020 0.000 2.144 48 D HA -0.042 4.599 4.640 0.001 0.000 0.200 48 D C 2.246 178.556 176.300 0.017 0.000 0.978 48 D CA 0.866 54.878 54.000 0.019 0.000 0.833 48 D CB -0.157 40.656 40.800 0.021 0.000 0.961 48 D HN 0.539 nan 8.370 nan 0.000 0.470 49 E N -0.091 120.119 120.200 0.016 0.000 2.106 49 E HA -0.123 4.227 4.350 0.001 0.000 0.192 49 E C 1.948 178.556 176.600 0.013 0.000 0.984 49 E CA 0.360 56.769 56.400 0.014 0.000 0.806 49 E CB 0.092 29.800 29.700 0.014 0.000 0.750 49 E HN 0.128 nan 8.360 nan 0.000 0.458 50 L N 0.798 122.029 121.223 0.013 0.000 2.027 50 L HA -0.162 4.178 4.340 0.001 0.000 0.206 50 L C 2.217 179.095 176.870 0.013 0.000 1.074 50 L CA 1.280 56.127 54.840 0.012 0.000 0.745 50 L CB -0.684 41.382 42.059 0.012 0.000 0.898 50 L HN 0.205 nan 8.230 nan 0.000 0.433 51 L N -0.454 120.778 121.223 0.014 0.000 2.079 51 L HA -0.256 4.085 4.340 0.001 0.000 0.210 51 L C 2.518 179.397 176.870 0.014 0.000 1.081 51 L CA 1.722 56.570 54.840 0.015 0.000 0.752 51 L CB -0.899 41.170 42.059 0.017 0.000 0.896 51 L HN 0.475 nan 8.230 nan 0.000 0.433 52 E N -0.368 119.840 120.200 0.014 0.000 2.047 52 E HA -0.199 4.152 4.350 0.001 0.000 0.191 52 E C 2.332 178.939 176.600 0.012 0.000 0.987 52 E CA 0.666 57.075 56.400 0.014 0.000 0.799 52 E CB 0.146 29.854 29.700 0.014 0.000 0.752 52 E HN 0.200 nan 8.360 nan 0.000 0.449 53 L N 0.589 121.819 121.223 0.011 0.000 2.046 53 L HA -0.106 4.234 4.340 0.001 0.000 0.208 53 L C 2.487 179.363 176.870 0.010 0.000 1.077 53 L CA 1.747 56.593 54.840 0.010 0.000 0.747 53 L CB -1.443 40.622 42.059 0.009 0.000 0.896 53 L HN 0.263 nan 8.230 nan 0.000 0.432 54 A N -0.085 122.741 122.820 0.010 0.000 1.883 54 A HA -0.215 4.105 4.320 0.001 0.000 0.217 54 A C 2.535 180.126 177.584 0.010 0.000 1.186 54 A CA 2.094 54.138 52.037 0.010 0.000 0.624 54 A CB -0.727 18.280 19.000 0.011 0.000 0.822 54 A HN 0.428 nan 8.150 nan 0.000 0.444 55 A N -0.249 122.578 122.820 0.012 0.000 1.883 55 A HA 0.097 4.417 4.320 0.001 0.000 0.217 55 A C 2.521 180.111 177.584 0.011 0.000 1.186 55 A CA 2.424 54.469 52.037 0.012 0.000 0.624 55 A CB -1.093 17.915 19.000 0.013 0.000 0.822 55 A HN 1.176 nan 8.150 nan 0.000 0.444 56 A N -1.056 121.770 122.820 0.010 0.000 1.969 56 A HA 0.086 4.406 4.320 0.001 0.000 0.218 56 A C 2.180 179.769 177.584 0.008 0.000 1.169 56 A CA 1.676 53.718 52.037 0.009 0.000 0.635 56 A CB -0.615 18.391 19.000 0.009 0.000 0.810 56 A HN 0.378 nan 8.150 nan 0.000 0.445 57 V N -0.460 119.459 119.914 0.008 0.000 2.535 57 V HA 0.001 4.122 4.120 0.001 0.000 0.246 57 V C 0.834 176.932 176.094 0.007 0.000 1.045 57 V CA 1.559 63.863 62.300 0.007 0.000 1.058 57 V CB -0.609 31.218 31.823 0.007 0.000 0.689 57 V HN 0.732 nan 8.190 nan 0.000 0.461 58 N N -0.141 118.564 118.700 0.008 0.000 2.572 58 N HA 0.288 5.028 4.740 0.001 0.000 0.287 58 N C -3.146 172.369 175.510 0.009 0.000 1.136 58 N CA -1.183 51.872 53.050 0.008 0.000 0.900 58 N CB 2.513 41.005 38.487 0.008 0.000 1.484 58 N HN -0.028 nan 8.380 nan 0.000 0.526 59 P HA 0.117 nan 4.420 nan 0.000 0.275 59 P C -0.297 177.009 177.300 0.010 0.000 1.228 59 P CA 0.079 63.186 63.100 0.010 0.000 0.786 59 P CB 0.962 32.668 31.700 0.010 0.000 0.927 60 V N 0.915 120.835 119.914 0.011 0.000 6.216 60 V HA -0.168 3.953 4.120 0.001 0.000 0.313 60 V C -2.182 173.918 176.094 0.010 0.000 0.538 60 V CA -0.277 62.030 62.300 0.011 0.000 0.645 60 V CB -2.642 29.187 31.823 0.010 0.000 0.287 60 V HN 0.643 nan 8.190 nan 0.000 0.833 61 P HA 0.260 nan 4.420 nan 0.000 0.261 61 P C -2.065 175.241 177.300 0.010 0.000 1.183 61 P CA -0.351 62.755 63.100 0.010 0.000 0.761 61 P CB 0.154 31.861 31.700 0.011 0.000 0.785 62 P HA 0.047 nan 4.420 nan 0.000 0.271 62 P C 0.676 177.981 177.300 0.010 0.000 1.216 62 P CA 0.012 63.117 63.100 0.009 0.000 0.776 62 P CB 0.593 32.298 31.700 0.008 0.000 0.881 63 A N 3.794 126.620 122.820 0.010 0.000 1.940 63 A HA -0.242 4.079 4.320 0.001 0.000 0.219 63 A C 2.235 179.825 177.584 0.010 0.000 1.176 63 A CA 1.566 53.609 52.037 0.011 0.000 0.631 63 A CB -0.839 18.167 19.000 0.011 0.000 0.814 63 A HN 0.574 nan 8.150 nan 0.000 0.446 64 R N 0.021 120.527 120.500 0.009 0.000 2.070 64 R HA -0.169 4.172 4.340 0.001 0.000 0.232 64 R C 2.014 178.320 176.300 0.009 0.000 1.138 64 R CA 1.824 57.929 56.100 0.009 0.000 0.936 64 R CB -0.330 29.975 30.300 0.008 0.000 0.839 64 R HN 0.646 nan 8.270 nan 0.000 0.429 65 E N 0.377 120.582 120.200 0.008 0.000 2.150 65 E HA -0.206 4.145 4.350 0.001 0.000 0.193 65 E C 2.036 178.641 176.600 0.009 0.000 0.985 65 E CA 0.696 57.101 56.400 0.008 0.000 0.814 65 E CB -0.342 29.363 29.700 0.007 0.000 0.752 65 E HN 0.356 nan 8.360 nan 0.000 0.466 66 M N 1.451 121.056 119.600 0.010 0.000 2.117 66 M HA -0.144 4.337 4.480 0.001 0.000 0.262 66 M C 1.781 178.087 176.300 0.011 0.000 1.065 66 M CA 1.635 56.941 55.300 0.010 0.000 1.114 66 M CB -0.678 31.929 32.600 0.011 0.000 1.361 66 M HN 0.049 nan 8.290 nan 0.000 0.408 67 D N -0.285 120.122 120.400 0.011 0.000 2.144 67 D HA -0.168 4.472 4.640 0.001 0.000 0.199 67 D C 2.072 178.379 176.300 0.010 0.000 0.984 67 D CA 1.181 55.187 54.000 0.011 0.000 0.834 67 D CB -0.012 40.794 40.800 0.011 0.000 0.955 67 D HN 0.240 nan 8.370 nan 0.000 0.465 68 M N -0.503 119.102 119.600 0.009 0.000 2.080 68 M HA -0.152 4.329 4.480 0.001 0.000 0.260 68 M C 1.920 178.225 176.300 0.008 0.000 1.068 68 M CA 1.104 56.409 55.300 0.008 0.000 1.109 68 M CB -0.119 32.486 32.600 0.007 0.000 1.342 68 M HN 0.225 nan 8.290 nan 0.000 0.405 69 L N 0.571 121.799 121.223 0.009 0.000 1.994 69 L HA -0.189 4.151 4.340 0.001 0.000 0.208 69 L C 1.985 178.861 176.870 0.010 0.000 1.071 69 L CA 1.949 56.794 54.840 0.009 0.000 0.745 69 L CB -0.733 41.332 42.059 0.009 0.000 0.892 69 L HN 0.328 nan 8.230 nan 0.000 0.431 70 L N -1.589 119.640 121.223 0.011 0.000 2.109 70 L HA -0.143 4.197 4.340 0.001 0.000 0.207 70 L C 2.338 179.215 176.870 0.012 0.000 1.086 70 L CA 1.332 56.179 54.840 0.012 0.000 0.760 70 L CB -1.106 40.960 42.059 0.013 0.000 0.910 70 L HN 0.257 nan 8.230 nan 0.000 0.437 71 T N 0.335 114.896 114.554 0.011 0.000 2.665 71 T HA -0.237 4.114 4.350 0.001 0.000 0.268 71 T C 2.064 176.770 174.700 0.011 0.000 1.035 71 T CA 1.573 63.681 62.100 0.012 0.000 1.151 71 T CB -0.239 68.636 68.868 0.012 0.000 0.862 71 T HN 0.465 nan 8.240 nan 0.000 0.438 72 A N 1.364 124.190 122.820 0.009 0.000 1.883 72 A HA 0.054 4.375 4.320 0.001 0.000 0.217 72 A C 2.661 180.249 177.584 0.007 0.000 1.186 72 A CA 2.033 54.074 52.037 0.007 0.000 0.624 72 A CB -1.465 17.538 19.000 0.006 0.000 0.822 72 A HN 0.523 nan 8.150 nan 0.000 0.444 73 G N -0.634 108.172 108.800 0.009 0.000 2.440 73 G HA2 -0.256 3.705 3.960 0.001 0.000 0.218 73 G HA3 -0.256 3.705 3.960 0.001 0.000 0.218 73 G C 1.428 176.335 174.900 0.011 0.000 1.154 73 G CA 1.179 46.284 45.100 0.009 0.000 0.767 73 G HN 0.654 nan 8.290 nan 0.000 0.552 74 E N -0.069 120.138 120.200 0.013 0.000 2.106 74 E HA -0.029 4.322 4.350 0.001 0.000 0.192 74 E C 3.077 179.685 176.600 0.013 0.000 0.984 74 E CA 1.230 57.639 56.400 0.016 0.000 0.806 74 E CB -0.142 29.569 29.700 0.018 0.000 0.750 74 E HN 0.440 nan 8.360 nan 0.000 0.458 75 R N 0.903 121.409 120.500 0.010 0.000 2.115 75 R HA -0.036 4.304 4.340 0.001 0.000 0.226 75 R C 1.956 178.256 176.300 0.001 0.000 1.100 75 R CA 1.274 57.378 56.100 0.006 0.000 0.980 75 R CB -1.298 29.005 30.300 0.004 0.000 0.875 75 R HN 0.156 nan 8.270 nan 0.000 0.445 76 I N 0.084 120.655 120.570 0.000 0.000 2.142 76 I HA -0.257 3.914 4.170 0.001 0.000 0.240 76 I C 2.830 178.943 176.117 -0.006 0.000 1.078 76 I CA 1.890 63.188 61.300 -0.004 0.000 1.343 76 I CB -0.324 37.675 38.000 -0.002 0.000 1.046 76 I HN 0.447 nan 8.210 nan 0.000 0.405 77 S N 0.831 116.529 115.700 -0.002 0.000 2.359 77 S HA -0.257 4.214 4.470 0.001 0.000 0.224 77 S C 2.110 176.703 174.600 -0.012 0.000 1.035 77 S CA 2.131 60.327 58.200 -0.006 0.000 1.018 77 S CB -0.863 62.339 63.200 0.004 0.000 0.876 77 S HN 0.594 nan 8.310 nan 0.000 0.448 78 N N 0.989 119.688 118.700 -0.002 0.000 2.106 78 N HA 0.110 4.850 4.740 0.001 0.000 0.188 78 N C 2.237 177.739 175.510 -0.013 0.000 1.029 78 N CA 1.726 54.775 53.050 -0.001 0.000 0.848 78 N CB -1.478 37.018 38.487 0.015 0.000 1.007 78 N HN 0.684 nan 8.380 nan 0.000 0.423 79 A N 0.617 123.429 122.820 -0.014 0.000 1.903 79 A HA -0.065 4.255 4.320 0.001 0.000 0.219 79 A C 2.419 179.987 177.584 -0.026 0.000 1.191 79 A CA 1.656 53.681 52.037 -0.021 0.000 0.638 79 A CB -0.598 18.391 19.000 -0.018 0.000 0.823 79 A HN 0.549 nan 8.150 nan 0.000 0.451 80 L N -0.880 120.327 121.223 -0.028 0.000 2.109 80 L HA -0.121 4.219 4.340 0.001 0.000 0.207 80 L C 2.503 179.345 176.870 -0.048 0.000 1.086 80 L CA 0.861 55.681 54.840 -0.035 0.000 0.760 80 L CB -0.489 41.550 42.059 -0.033 0.000 0.910 80 L HN 0.252 nan 8.230 nan 0.000 0.437 81 V N 0.184 120.065 119.914 -0.055 0.000 2.407 81 V HA -0.278 3.842 4.120 0.001 0.000 0.248 81 V C 2.770 178.826 176.094 -0.063 0.000 1.055 81 V CA 1.739 63.992 62.300 -0.080 0.000 1.049 81 V CB -0.843 30.923 31.823 -0.096 0.000 0.662 81 V HN 0.472 nan 8.190 nan 0.000 0.455 82 A N -0.564 122.230 122.820 -0.043 0.000 1.908 82 A HA -0.258 4.062 4.320 0.001 0.000 0.218 82 A C 2.244 179.806 177.584 -0.037 0.000 1.181 82 A CA 2.279 54.295 52.037 -0.035 0.000 0.627 82 A CB -0.484 18.498 19.000 -0.030 0.000 0.818 82 A HN 0.497 nan 8.150 nan 0.000 0.445 83 M N -0.668 118.909 119.600 -0.038 0.000 2.117 83 M HA -0.147 4.334 4.480 0.001 0.000 0.262 83 M C 2.519 178.796 176.300 -0.038 0.000 1.065 83 M CA 1.424 56.703 55.300 -0.035 0.000 1.114 83 M CB -0.367 32.214 32.600 -0.032 0.000 1.361 83 M HN 0.491 nan 8.290 nan 0.000 0.408 84 A N 0.662 123.454 122.820 -0.048 0.000 1.902 84 A HA -0.134 4.187 4.320 0.001 0.000 0.217 84 A C 1.947 179.500 177.584 -0.051 0.000 1.181 84 A CA 1.262 53.267 52.037 -0.053 0.000 0.623 84 A CB -0.628 18.329 19.000 -0.072 0.000 0.818 84 A HN 0.358 nan 8.150 nan 0.000 0.443 85 I N 0.302 120.840 120.570 -0.052 0.000 2.142 85 I HA -0.233 3.938 4.170 0.001 0.000 0.240 85 I C 2.289 178.387 176.117 -0.031 0.000 1.078 85 I CA 1.712 62.986 61.300 -0.043 0.000 1.343 85 I CB -1.881 36.097 38.000 -0.037 0.000 1.046 85 I HN 0.436 nan 8.210 nan 0.000 0.405 86 E N 0.911 121.093 120.200 -0.029 0.000 2.118 86 E HA -0.205 4.146 4.350 0.001 0.000 0.195 86 E C 2.218 178.805 176.600 -0.022 0.000 0.992 86 E CA 1.878 58.264 56.400 -0.024 0.000 0.804 86 E CB -0.198 29.487 29.700 -0.025 0.000 0.741 86 E HN 0.565 nan 8.360 nan 0.000 0.458 87 S N 0.189 115.874 115.700 -0.024 0.000 2.481 87 S HA -0.055 4.416 4.470 0.001 0.000 0.231 87 S C 1.634 176.222 174.600 -0.020 0.000 0.996 87 S CA 0.360 58.547 58.200 -0.021 0.000 0.942 87 S CB 0.093 63.279 63.200 -0.023 0.000 0.768 87 S HN 0.098 nan 8.310 nan 0.000 0.520 88 L N 1.273 122.483 121.223 -0.023 0.000 2.611 88 L HA 0.460 4.800 4.340 0.001 0.000 0.229 88 L C 1.654 178.514 176.870 -0.016 0.000 1.137 88 L CA 0.819 55.645 54.840 -0.022 0.000 0.901 88 L CB -0.229 41.813 42.059 -0.028 0.000 1.098 88 L HN 0.587 nan 8.230 nan 0.000 0.456 89 G N -1.802 106.989 108.800 -0.015 0.000 2.195 89 G HA2 -0.179 3.782 3.960 0.001 0.000 0.224 89 G HA3 -0.179 3.782 3.960 0.001 0.000 0.224 89 G C 0.507 175.402 174.900 -0.009 0.000 0.990 89 G CA 0.130 45.224 45.100 -0.011 0.000 0.639 89 G HN 0.695 nan 8.290 nan 0.000 0.514 90 A N 0.007 122.821 122.820 -0.011 0.000 2.248 90 A HA 0.859 5.180 4.320 0.001 0.000 0.316 90 A C 0.172 177.750 177.584 -0.009 0.000 1.101 90 A CA 0.312 52.345 52.037 -0.008 0.000 0.875 90 A CB 0.682 19.677 19.000 -0.007 0.000 1.207 90 A HN 1.112 nan 8.150 nan 0.000 0.504 91 E N -0.370 119.827 120.200 -0.005 0.000 2.256 91 E HA 0.661 5.012 4.350 0.001 0.000 0.268 91 E C -0.732 175.866 176.600 -0.003 0.000 0.877 91 E CA -0.854 55.542 56.400 -0.008 0.000 0.757 91 E CB 1.871 31.566 29.700 -0.008 0.000 1.183 91 E HN 0.771 nan 8.360 nan 0.000 0.418 92 A N 2.800 125.614 122.820 -0.010 0.000 2.299 92 A HA 0.596 4.916 4.320 0.001 0.000 0.332 92 A C -0.739 176.832 177.584 -0.022 0.000 1.131 92 A CA -0.671 51.363 52.037 -0.004 0.000 0.844 92 A CB 1.827 20.822 19.000 -0.008 0.000 1.251 92 A HN 0.688 nan 8.150 nan 0.000 0.486 93 Q N 0.105 119.894 119.800 -0.018 0.000 2.359 93 Q HA 0.599 4.939 4.340 0.001 0.000 0.274 93 Q C -1.384 174.532 176.000 -0.141 0.000 1.074 93 Q CA -0.444 55.292 55.803 -0.112 0.000 0.810 93 Q CB 2.087 30.741 28.738 -0.140 0.000 1.342 93 Q HN 0.715 nan 8.270 nan 0.000 0.427 94 S N 2.023 117.556 115.700 -0.277 0.000 2.549 94 S HA 0.722 5.193 4.470 0.001 0.000 0.297 94 S C -1.330 173.001 174.600 -0.448 0.000 1.115 94 S CA -0.385 57.698 58.200 -0.195 0.000 1.059 94 S CB 0.616 63.752 63.200 -0.107 0.000 1.046 94 S HN 0.431 nan 8.310 nan 0.000 0.506 95 F N 0.641 120.587 119.950 -0.008 0.000 2.565 95 F HA 0.783 5.311 4.527 0.001 0.000 0.313 95 F C 0.710 176.504 175.800 -0.009 0.000 1.091 95 F CA -0.245 57.750 58.000 -0.009 0.000 0.915 95 F CB 2.041 41.035 39.000 -0.010 0.000 1.208 95 F HN 0.767 nan 8.300 nan 0.000 0.453 120 R N 1.169 121.643 120.500 -0.045 0.000 2.127 120 R HA 0.170 4.511 4.340 0.001 0.000 0.238 120 R C 2.704 179.004 176.300 -0.001 0.000 1.134 120 R CA 2.178 58.302 56.100 0.041 0.000 0.975 120 R CB -0.628 29.758 30.300 0.142 0.000 0.865 120 R HN 0.566 nan 8.270 nan 0.000 0.447 121 V N -0.229 119.494 119.914 -0.318 0.000 2.453 121 V HA -0.150 3.971 4.120 0.001 0.000 0.247 121 V C 2.336 178.359 176.094 -0.119 0.000 1.048 121 V CA 2.683 64.722 62.300 -0.436 0.000 1.049 121 V CB -1.257 30.204 31.823 -0.605 0.000 0.672 121 V HN 0.405 nan 8.190 nan 0.000 0.457 122 R N 0.192 120.638 120.500 -0.090 0.000 2.189 122 R HA 0.037 4.377 4.340 0.001 0.000 0.223 122 R C 2.198 178.501 176.300 0.004 0.000 1.092 122 R CA 2.404 58.483 56.100 -0.035 0.000 0.989 122 R CB -1.675 28.603 30.300 -0.037 0.000 0.876 122 R HN 0.944 nan 8.270 nan 0.000 0.457 123 E N 0.220 120.435 120.200 0.025 0.000 2.106 123 E HA 0.183 4.534 4.350 0.001 0.000 0.192 123 E C 2.421 179.066 176.600 0.075 0.000 0.984 123 E CA 1.497 57.929 56.400 0.052 0.000 0.806 123 E CB -0.619 29.124 29.700 0.071 0.000 0.750 123 E HN 0.842 nan 8.360 nan 0.000 0.458 124 A N 0.307 123.199 122.820 0.121 0.000 1.903 124 A HA 0.362 4.683 4.320 0.001 0.000 0.213 124 A C 2.845 180.480 177.584 0.085 0.000 1.185 124 A CA 2.262 54.381 52.037 0.137 0.000 0.628 124 A CB -0.859 18.306 19.000 0.276 0.000 0.830 124 A HN 1.214 nan 8.150 nan 0.000 0.446 125 L N 0.263 121.524 121.223 0.063 0.000 1.978 125 L HA -0.124 4.217 4.340 0.001 0.000 0.218 125 L C 0.954 177.842 176.870 0.030 0.000 1.075 125 L CA 2.378 57.240 54.840 0.037 0.000 0.767 125 L CB -1.945 40.122 42.059 0.013 0.000 0.890 125 L HN 0.460 nan 8.230 nan 0.000 0.434 126 D N -0.281 120.134 120.400 0.025 0.000 2.363 126 D HA 0.398 5.039 4.640 0.001 0.000 0.263 126 D C 0.768 177.083 176.300 0.026 0.000 1.258 126 D CA 0.748 54.761 54.000 0.021 0.000 0.907 126 D CB 0.731 41.541 40.800 0.016 0.000 1.107 126 D HN 0.745 nan 8.370 nan 0.000 0.495 127 E N -0.016 120.198 120.200 0.023 0.000 4.131 127 E HA -0.074 4.276 4.350 0.001 0.000 0.436 127 E C 0.977 177.589 176.600 0.021 0.000 0.494 127 E CA 0.274 56.687 56.400 0.022 0.000 1.500 127 E CB -1.011 28.705 29.700 0.027 0.000 2.019 127 E HN 0.585 nan 8.360 nan 0.000 0.274 128 G N 1.508 110.322 108.800 0.022 0.000 2.143 128 G HA2 -0.300 3.661 3.960 0.001 0.000 0.248 128 G HA3 -0.300 3.661 3.960 0.001 0.000 0.248 128 G C 0.031 174.945 174.900 0.024 0.000 0.991 128 G CA 0.770 45.882 45.100 0.020 0.000 0.689 128 G HN -0.027 nan 8.290 nan 0.000 0.522 129 K N 0.284 120.705 120.400 0.035 0.000 2.270 129 K HA 0.449 4.770 4.320 0.001 0.000 0.276 129 K C 0.802 177.432 176.600 0.051 0.000 1.023 129 K CA -0.428 55.885 56.287 0.043 0.000 0.955 129 K CB 1.202 33.740 32.500 0.063 0.000 0.975 129 K HN 0.339 nan 8.250 nan 0.000 0.471 130 I N 2.925 123.522 120.570 0.045 0.000 2.312 130 I HA 0.074 4.245 4.170 0.001 0.000 0.291 130 I C -0.081 176.085 176.117 0.082 0.000 1.031 130 I CA -0.657 60.674 61.300 0.051 0.000 1.293 130 I CB 0.599 38.618 38.000 0.031 0.000 1.403 130 I HN 0.332 nan 8.210 nan 0.000 0.484 131 C N 7.631 126.998 119.300 0.112 0.000 2.285 131 C HA 0.542 5.003 4.460 0.001 0.000 0.335 131 C C 0.383 175.470 174.990 0.162 0.000 1.267 131 C CA -0.662 58.477 59.018 0.202 0.000 1.762 131 C CB -0.638 27.234 27.740 0.220 0.000 2.365 131 C HN 0.538 nan 8.230 nan 0.000 0.527 132 I N 3.518 124.196 120.570 0.179 0.000 2.412 132 I HA 0.664 4.835 4.170 0.001 0.000 0.296 132 I C -0.245 175.982 176.117 0.183 0.000 0.987 132 I CA -0.331 61.047 61.300 0.130 0.000 1.180 132 I CB 1.570 39.612 38.000 0.071 0.000 1.340 132 I HN 0.424 nan 8.210 nan 0.000 0.455 133 V N 5.669 125.660 119.914 0.129 0.000 2.655 133 V HA 0.809 4.930 4.120 0.001 0.000 0.301 133 V C -0.451 175.684 176.094 0.069 0.000 1.082 133 V CA -0.179 62.200 62.300 0.131 0.000 0.899 133 V CB 1.537 33.412 31.823 0.087 0.000 1.014 133 V HN 0.890 nan 8.190 nan 0.000 0.429 144 R N 1.189 121.687 120.500 -0.003 0.000 2.073 144 R HA 0.213 4.554 4.340 0.001 0.000 0.229 144 R C 1.371 177.664 176.300 -0.012 0.000 1.120 144 R CA 1.417 57.518 56.100 0.003 0.000 0.967 144 R CB -1.002 29.301 30.300 0.004 0.000 0.862 144 R HN 0.369 nan 8.270 nan 0.000 0.436 145 D N 1.114 121.496 120.400 -0.029 0.000 2.994 145 D HA 0.194 4.835 4.640 0.001 0.000 0.240 145 D C -0.466 175.807 176.300 -0.045 0.000 1.195 145 D CA 0.180 54.160 54.000 -0.034 0.000 0.957 145 D CB -0.332 40.444 40.800 -0.039 0.000 1.105 145 D HN 0.364 nan 8.370 nan 0.000 0.477 146 V N -1.878 118.014 119.914 -0.036 0.000 2.962 146 V HA 0.720 4.841 4.120 0.001 0.000 0.313 146 V C -0.099 175.986 176.094 -0.015 0.000 1.099 146 V CA -0.767 61.511 62.300 -0.036 0.000 0.971 146 V CB 2.061 33.853 31.823 -0.052 0.000 1.028 146 V HN -0.018 nan 8.190 nan 0.000 0.430 147 T N 2.789 117.335 114.554 -0.013 0.000 2.791 147 T HA 0.654 5.005 4.350 0.001 0.000 0.288 147 T C 0.119 174.822 174.700 0.006 0.000 0.999 147 T CA -0.059 62.040 62.100 -0.002 0.000 0.952 147 T CB 1.090 69.954 68.868 -0.006 0.000 0.938 147 T HN 1.227 nan 8.240 nan 0.000 0.444 148 T N 1.328 115.893 114.554 0.017 0.000 2.943 148 T HA 0.822 5.173 4.350 0.001 0.000 0.284 148 T C -0.684 174.029 174.700 0.022 0.000 1.015 148 T CA -0.906 61.210 62.100 0.027 0.000 1.042 148 T CB 1.019 69.914 68.868 0.045 0.000 1.055 148 T HN 0.212 nan 8.240 nan 0.000 0.500 149 L N 1.108 122.345 121.223 0.024 0.000 2.464 149 L HA 0.721 5.061 4.340 0.001 0.000 0.266 149 L C 0.645 177.528 176.870 0.022 0.000 0.965 149 L CA 0.923 55.775 54.840 0.019 0.000 0.833 149 L CB 1.285 43.353 42.059 0.014 0.000 1.296 149 L HN 1.426 nan 8.230 nan 0.000 0.405 150 G N 2.562 111.374 108.800 0.019 0.000 2.796 150 G HA2 -0.219 3.742 3.960 0.001 0.000 0.226 150 G HA3 -0.219 3.742 3.960 0.001 0.000 0.226 150 G C -0.431 174.481 174.900 0.020 0.000 1.381 150 G CA -0.312 44.799 45.100 0.019 0.000 0.867 150 G HN 0.756 nan 8.290 nan 0.000 0.552 151 R N 0.408 120.919 120.500 0.018 0.000 2.308 151 R HA 0.518 4.859 4.340 0.001 0.000 0.305 151 R C 1.154 177.463 176.300 0.016 0.000 1.053 151 R CA 0.203 56.313 56.100 0.017 0.000 0.957 151 R CB 0.280 30.589 30.300 0.015 0.000 1.022 151 R HN 1.200 nan 8.270 nan 0.000 0.461 152 G N 1.770 110.578 108.800 0.014 0.000 2.398 152 G HA2 0.314 4.274 3.960 0.001 0.000 0.246 152 G HA3 0.314 4.274 3.960 0.001 0.000 0.246 152 G C -0.068 174.832 174.900 -0.000 0.000 1.289 152 G CA -0.235 44.868 45.100 0.006 0.000 0.869 152 G HN 0.736 nan 8.290 nan 0.000 0.543 153 G N 0.057 108.854 108.800 -0.005 0.000 2.705 153 G HA2 0.429 4.389 3.960 0.001 0.000 0.299 153 G HA3 0.429 4.389 3.960 0.001 0.000 0.299 153 G C 1.121 176.010 174.900 -0.018 0.000 1.315 153 G CA 0.265 45.362 45.100 -0.004 0.000 1.045 153 G HN 0.549 nan 8.290 nan 0.000 0.517 154 S N -0.108 115.588 115.700 -0.008 0.000 2.368 154 S HA -0.101 4.370 4.470 0.001 0.000 0.224 154 S C 1.866 176.450 174.600 -0.027 0.000 1.029 154 S CA 1.501 59.695 58.200 -0.010 0.000 0.988 154 S CB -0.242 62.965 63.200 0.012 0.000 0.838 154 S HN 0.591 nan 8.310 nan 0.000 0.462 155 D N 1.607 121.994 120.400 -0.022 0.000 2.106 155 D HA -0.123 4.517 4.640 0.001 0.000 0.191 155 D C 2.470 178.726 176.300 -0.074 0.000 0.997 155 D CA 2.044 56.024 54.000 -0.033 0.000 0.834 155 D CB -0.940 39.852 40.800 -0.013 0.000 0.956 155 D HN 0.597 nan 8.370 nan 0.000 0.448 156 T N -2.112 112.390 114.554 -0.086 0.000 2.821 156 T HA -0.112 4.238 4.350 0.001 0.000 0.267 156 T C 2.022 176.563 174.700 -0.265 0.000 1.046 156 T CA 1.841 63.837 62.100 -0.173 0.000 1.139 156 T CB -0.792 68.010 68.868 -0.110 0.000 0.871 156 T HN -0.011 nan 8.240 nan 0.000 0.454 157 T N 2.323 116.780 114.554 -0.162 0.000 2.684 157 T HA 0.036 4.387 4.350 0.001 0.000 0.267 157 T C 2.484 177.088 174.700 -0.160 0.000 1.036 157 T CA 1.499 63.508 62.100 -0.152 0.000 1.148 157 T CB -0.954 67.866 68.868 -0.079 0.000 0.863 157 T HN 0.619 nan 8.240 nan 0.000 0.436 158 A N 0.882 123.633 122.820 -0.115 0.000 1.908 158 A HA -0.063 4.258 4.320 0.001 0.000 0.218 158 A C 2.602 180.111 177.584 -0.124 0.000 1.181 158 A CA 1.490 53.471 52.037 -0.092 0.000 0.627 158 A CB -1.008 17.960 19.000 -0.053 0.000 0.818 158 A HN 0.366 nan 8.150 nan 0.000 0.445 159 V N -0.267 119.546 119.914 -0.167 0.000 2.358 159 V HA -0.197 3.924 4.120 0.001 0.000 0.246 159 V C 3.046 178.964 176.094 -0.293 0.000 1.047 159 V CA 1.762 63.958 62.300 -0.173 0.000 1.035 159 V CB -1.228 30.509 31.823 -0.144 0.000 0.658 159 V HN 0.614 nan 8.190 nan 0.000 0.452 160 A N -0.167 122.314 122.820 -0.565 0.000 1.908 160 A HA -0.153 4.168 4.320 0.001 0.000 0.218 160 A C 2.145 179.566 177.584 -0.272 0.000 1.181 160 A CA 1.600 53.285 52.037 -0.587 0.000 0.627 160 A CB -0.479 18.166 19.000 -0.591 0.000 0.818 160 A HN 0.415 nan 8.150 nan 0.000 0.445 161 L N -1.180 119.915 121.223 -0.213 0.000 2.313 161 L HA -0.051 4.290 4.340 0.001 0.000 0.214 161 L C 2.770 179.570 176.870 -0.116 0.000 1.119 161 L CA 1.473 56.222 54.840 -0.152 0.000 0.809 161 L CB -1.200 40.781 42.059 -0.130 0.000 0.933 161 L HN 0.495 nan 8.230 nan 0.000 0.449 162 A N -0.338 122.422 122.820 -0.100 0.000 1.975 162 A HA 0.116 4.437 4.320 0.001 0.000 0.215 162 A C 2.494 180.048 177.584 -0.049 0.000 1.170 162 A CA 1.063 53.067 52.037 -0.055 0.000 0.656 162 A CB -0.165 18.820 19.000 -0.024 0.000 0.821 162 A HN 0.323 nan 8.150 nan 0.000 0.449 163 A N 0.798 123.571 122.820 -0.079 0.000 1.829 163 A HA 0.337 4.658 4.320 0.001 0.000 0.216 163 A C 1.694 179.191 177.584 -0.145 0.000 1.207 163 A CA 1.216 53.183 52.037 -0.116 0.000 0.622 163 A CB -1.378 17.465 19.000 -0.263 0.000 0.846 163 A HN 1.240 nan 8.150 nan 0.000 0.447 164 A N -2.371 120.337 122.820 -0.186 0.000 2.498 164 A HA 0.455 4.776 4.320 0.001 0.000 0.239 164 A C 0.684 178.208 177.584 -0.100 0.000 1.068 164 A CA 0.636 52.592 52.037 -0.134 0.000 0.766 164 A CB -0.043 18.875 19.000 -0.137 0.000 1.003 164 A HN 1.353 nan 8.150 nan 0.000 0.497 165 L N 0.064 121.243 121.223 -0.074 0.000 2.614 165 L HA -0.203 4.137 4.340 0.001 0.000 0.457 165 L C 0.678 177.528 176.870 -0.034 0.000 0.720 165 L CA 0.993 55.798 54.840 -0.058 0.000 2.903 165 L CB -1.755 40.262 42.059 -0.070 0.000 0.873 165 L HN 0.925 nan 8.230 nan 0.000 0.686 166 N N -0.621 118.063 118.700 -0.027 0.000 2.727 166 N HA -0.145 4.595 4.740 0.001 0.000 0.249 166 N C 0.539 176.052 175.510 0.005 0.000 1.048 166 N CA 1.115 54.164 53.050 -0.002 0.000 0.714 166 N CB -0.705 37.784 38.487 0.003 0.000 0.959 166 N HN 0.791 nan 8.380 nan 0.000 0.544 167 A N -0.027 122.793 122.820 -0.001 0.000 2.507 167 A HA 0.015 4.336 4.320 0.001 0.000 0.235 167 A C 1.291 178.888 177.584 0.021 0.000 1.070 167 A CA 0.471 52.511 52.037 0.006 0.000 0.768 167 A CB 0.340 19.340 19.000 0.000 0.000 1.011 167 A HN 0.287 nan 8.150 nan 0.000 0.502 168 D N -0.842 119.571 120.400 0.020 0.000 2.277 168 D HA 0.099 4.740 4.640 0.001 0.000 0.208 168 D C 0.398 176.715 176.300 0.028 0.000 0.962 168 D CA 1.907 55.922 54.000 0.025 0.000 0.865 168 D CB 0.113 40.925 40.800 0.020 0.000 0.939 168 D HN 0.590 nan 8.370 nan 0.000 0.510 169 V N -2.005 117.924 119.914 0.025 0.000 3.023 169 V HA 0.278 4.399 4.120 0.001 0.000 0.294 169 V C -0.999 175.106 176.094 0.017 0.000 1.324 169 V CA -1.420 60.894 62.300 0.023 0.000 0.979 169 V CB 1.569 33.398 31.823 0.009 0.000 1.093 169 V HN 0.002 nan 8.190 nan 0.000 0.434 170 C N 3.840 123.149 119.300 0.016 0.000 2.203 170 C HA 0.581 5.041 4.460 0.001 0.000 0.325 170 C C 0.352 175.322 174.990 -0.033 0.000 1.156 170 C CA -0.003 59.014 59.018 -0.001 0.000 1.597 170 C CB -1.059 26.683 27.740 0.004 0.000 2.148 170 C HN 1.009 nan 8.230 nan 0.000 0.472 171 E N 4.200 124.372 120.200 -0.046 0.000 2.289 171 E HA 0.329 4.680 4.350 0.001 0.000 0.278 171 E C -0.719 175.760 176.600 -0.202 0.000 1.032 171 E CA -0.160 56.145 56.400 -0.158 0.000 0.854 171 E CB 1.028 30.657 29.700 -0.118 0.000 1.046 171 E HN 0.567 nan 8.360 nan 0.000 0.409 172 I N 3.624 124.018 120.570 -0.293 0.000 2.330 172 I HA 0.165 4.335 4.170 0.001 0.000 0.289 172 I C -0.901 175.003 176.117 -0.355 0.000 1.001 172 I CA -0.361 60.806 61.300 -0.222 0.000 1.193 172 I CB 0.306 38.235 38.000 -0.119 0.000 1.345 172 I HN 0.397 nan 8.210 nan 0.000 0.461 173 Y N 4.428 124.573 120.300 -0.259 0.000 2.341 173 Y HA 0.689 5.240 4.550 0.001 0.000 0.337 173 Y C 0.671 176.516 175.900 -0.091 0.000 1.014 173 Y CA 0.075 58.041 58.100 -0.223 0.000 1.111 173 Y CB 1.992 40.176 38.460 -0.460 0.000 1.194 173 Y HN 0.601 nan 8.280 nan 0.000 0.462 174 S N 0.179 115.933 115.700 0.090 0.000 2.880 174 S HA 0.166 4.637 4.470 0.001 0.000 0.308 174 S C -0.006 174.651 174.600 0.096 0.000 1.195 174 S CA -0.488 57.762 58.200 0.083 0.000 0.866 174 S CB 0.643 63.879 63.200 0.061 0.000 1.254 174 S HN 0.774 nan 8.310 nan 0.000 0.571 175 D N 0.555 121.041 120.400 0.143 0.000 2.347 175 D HA 0.047 4.687 4.640 0.001 0.000 0.213 175 D C 0.586 177.024 176.300 0.229 0.000 0.985 175 D CA 0.422 54.600 54.000 0.296 0.000 0.879 175 D CB -0.531 40.476 40.800 0.345 0.000 0.919 175 D HN 0.175 nan 8.370 nan 0.000 0.526 176 V N 2.814 122.815 119.914 0.146 0.000 2.572 176 V HA 0.027 4.148 4.120 0.001 0.000 0.291 176 V C 1.155 177.326 176.094 0.128 0.000 1.039 176 V CA 0.212 62.589 62.300 0.129 0.000 1.055 176 V CB 1.285 33.166 31.823 0.096 0.000 0.969 176 V HN 0.257 nan 8.190 nan 0.000 0.482 177 D N 2.767 123.266 120.400 0.165 0.000 2.368 177 D HA 0.328 4.969 4.640 0.001 0.000 0.218 177 D C 0.436 176.778 176.300 0.070 0.000 1.112 177 D CA 0.655 54.734 54.000 0.131 0.000 0.834 177 D CB 0.956 41.856 40.800 0.165 0.000 0.953 177 D HN 0.756 nan 8.370 nan 0.000 0.505 178 G N -0.505 108.341 108.800 0.076 0.000 2.356 178 G HA2 0.294 4.254 3.960 0.001 0.000 0.300 178 G HA3 0.294 4.254 3.960 0.001 0.000 0.300 178 G C -1.537 173.381 174.900 0.031 0.000 1.331 178 G CA -0.406 44.674 45.100 -0.032 0.000 0.905 178 G HN 0.564 nan 8.290 nan 0.000 0.587 179 V N -0.656 119.223 119.914 -0.058 0.000 2.435 179 V HA 0.883 5.004 4.120 0.001 0.000 0.290 179 V C -0.648 175.403 176.094 -0.070 0.000 1.030 179 V CA -0.896 61.425 62.300 0.034 0.000 0.881 179 V CB 0.853 32.688 31.823 0.020 0.000 0.983 179 V HN 0.819 nan 8.190 nan 0.000 0.445 180 Y N 2.587 122.892 120.300 0.009 0.000 2.596 180 Y HA 0.473 5.024 4.550 0.002 0.000 0.326 180 Y C 2.001 177.923 175.900 0.036 0.000 1.167 180 Y CA 0.126 58.237 58.100 0.019 0.000 1.246 180 Y CB 2.157 40.623 38.460 0.011 0.000 1.347 180 Y HN 0.796 nan 8.280 nan 0.000 0.515 181 T N -1.629 113.067 114.554 0.237 0.000 2.985 181 T HA 0.426 4.777 4.350 0.001 0.000 0.266 181 T C 0.407 175.247 174.700 0.233 0.000 1.076 181 T CA 0.724 62.957 62.100 0.222 0.000 1.135 181 T CB -0.089 68.960 68.868 0.302 0.000 0.890 181 T HN 0.642 nan 8.240 nan 0.000 0.480 182 A N 0.475 123.391 122.820 0.161 0.000 2.601 182 A HA 0.504 4.825 4.320 0.001 0.000 0.291 182 A C -1.524 176.047 177.584 -0.022 0.000 1.075 182 A CA -0.797 51.263 52.037 0.039 0.000 0.671 182 A CB 0.717 19.662 19.000 -0.092 0.000 1.277 182 A HN 0.125 nan 8.150 nan 0.000 0.417 183 D N 1.616 121.983 120.400 -0.056 0.000 2.389 183 D HA 0.133 4.773 4.640 0.001 0.000 0.263 183 D C -1.257 174.944 176.300 -0.166 0.000 1.255 183 D CA -0.994 52.939 54.000 -0.113 0.000 0.914 183 D CB 1.029 41.782 40.800 -0.077 0.000 1.116 183 D HN 0.175 nan 8.370 nan 0.000 0.502 184 P HA -0.085 nan 4.420 nan 0.000 0.223 184 P C 1.149 178.354 177.300 -0.158 0.000 1.151 184 P CA 0.587 63.554 63.100 -0.221 0.000 0.787 184 P CB 0.320 31.830 31.700 -0.317 0.000 0.788 185 R N -0.710 119.703 120.500 -0.145 0.000 2.120 185 R HA -0.046 4.295 4.340 0.001 0.000 0.234 185 R C 1.972 178.221 176.300 -0.084 0.000 1.123 185 R CA 0.990 57.030 56.100 -0.101 0.000 0.975 185 R CB -0.422 29.826 30.300 -0.086 0.000 0.866 185 R HN 0.224 nan 8.270 nan 0.000 0.446 186 I N -0.145 120.369 120.570 -0.092 0.000 2.556 186 I HA -0.013 4.158 4.170 0.001 0.000 0.251 186 I C 0.834 176.892 176.117 -0.098 0.000 1.105 186 I CA 0.760 62.011 61.300 -0.080 0.000 1.436 186 I CB -0.206 37.751 38.000 -0.071 0.000 1.139 186 I HN -0.218 nan 8.210 nan 0.000 0.438 187 V N 4.618 124.447 119.914 -0.142 0.000 2.277 187 V HA 0.199 4.319 4.120 0.001 0.000 0.269 187 V C -1.269 174.722 176.094 -0.172 0.000 1.036 187 V CA -1.003 61.178 62.300 -0.199 0.000 0.821 187 V CB 1.027 32.625 31.823 -0.375 0.000 1.052 187 V HN 0.098 nan 8.190 nan 0.000 0.462 188 P HA -0.130 nan 4.420 nan 0.000 0.219 188 P C 0.866 178.142 177.300 -0.040 0.000 1.146 188 P CA 1.177 64.239 63.100 -0.063 0.000 0.808 188 P CB 0.294 31.971 31.700 -0.037 0.000 0.779 189 N N -0.288 118.389 118.700 -0.039 0.000 2.383 189 N HA 0.105 4.846 4.740 0.001 0.000 0.192 189 N C 0.528 176.087 175.510 0.081 0.000 1.141 189 N CA 0.015 53.098 53.050 0.055 0.000 0.851 189 N CB -0.068 38.517 38.487 0.163 0.000 0.976 189 N HN 0.095 nan 8.380 nan 0.000 0.465 190 A N 0.882 123.655 122.820 -0.078 0.000 2.540 190 A HA 0.063 4.383 4.320 0.001 0.000 0.239 190 A C 0.384 178.094 177.584 0.211 0.000 1.061 190 A CA 0.411 52.444 52.037 -0.008 0.000 0.758 190 A CB 0.337 19.286 19.000 -0.085 0.000 0.991 190 A HN 0.307 nan 8.150 nan 0.000 0.502 191 Q N 0.972 120.949 119.800 0.295 0.000 2.372 191 Q HA 0.363 4.703 4.340 0.001 0.000 0.273 191 Q C -0.649 175.387 176.000 0.060 0.000 1.078 191 Q CA -0.771 55.158 55.803 0.210 0.000 0.806 191 Q CB 1.661 30.476 28.738 0.129 0.000 1.332 191 Q HN 0.767 nan 8.270 nan 0.000 0.435 192 K N 3.080 123.341 120.400 -0.232 0.000 2.368 192 K HA 0.120 4.441 4.320 0.001 0.000 0.282 192 K C -0.586 175.829 176.600 -0.308 0.000 1.035 192 K CA -0.418 55.457 56.287 -0.686 0.000 0.973 192 K CB 0.450 32.557 32.500 -0.656 0.000 0.957 192 K HN 0.464 nan 8.250 nan 0.000 0.474 193 L N 3.985 125.044 121.223 -0.273 0.000 2.380 193 L HA 0.046 4.386 4.340 0.001 0.000 0.273 193 L C 1.333 178.117 176.870 -0.143 0.000 1.138 193 L CA 0.615 55.365 54.840 -0.149 0.000 0.832 193 L CB 1.061 43.056 42.059 -0.107 0.000 1.124 193 L HN 0.781 nan 8.230 nan 0.000 0.454 194 E N 1.987 122.125 120.200 -0.104 0.000 2.086 194 E HA 0.033 4.383 4.350 0.001 0.000 0.190 194 E C 0.215 176.761 176.600 -0.091 0.000 0.975 194 E CA 1.008 57.353 56.400 -0.091 0.000 0.813 194 E CB 0.454 30.113 29.700 -0.069 0.000 0.768 194 E HN 0.510 nan 8.360 nan 0.000 0.457 195 K N -0.626 119.721 120.400 -0.089 0.000 2.551 195 K HA 0.489 4.810 4.320 0.001 0.000 0.269 195 K C -1.822 174.717 176.600 -0.101 0.000 0.949 195 K CA -0.815 55.412 56.287 -0.100 0.000 0.849 195 K CB 1.131 33.575 32.500 -0.094 0.000 1.411 195 K HN 0.047 nan 8.250 nan 0.000 0.432 196 L N -0.799 120.349 121.223 -0.125 0.000 2.622 196 L HA 0.605 4.946 4.340 0.001 0.000 0.258 196 L C -0.515 176.247 176.870 -0.180 0.000 0.996 196 L CA -0.974 53.795 54.840 -0.118 0.000 0.858 196 L CB 1.740 43.750 42.059 -0.083 0.000 1.449 196 L HN 0.707 nan 8.230 nan 0.000 0.411 197 S N -0.060 115.548 115.700 -0.153 0.000 2.600 197 S HA 0.385 4.855 4.470 0.001 0.000 0.265 197 S C 0.822 175.328 174.600 -0.157 0.000 1.325 197 S CA -0.338 57.742 58.200 -0.200 0.000 1.002 197 S CB 0.405 63.552 63.200 -0.088 0.000 0.921 197 S HN 0.536 nan 8.310 nan 0.000 0.554 198 F N 1.854 121.798 119.950 -0.009 0.000 2.069 198 F HA -0.083 4.444 4.527 0.001 0.000 0.298 198 F C 2.734 178.530 175.800 -0.007 0.000 1.113 198 F CA 1.878 59.876 58.000 -0.005 0.000 1.214 198 F CB -0.765 38.234 39.000 -0.002 0.000 0.978 198 F HN 0.724 nan 8.300 nan 0.000 0.474 199 E N 0.599 120.909 120.200 0.183 0.000 2.150 199 E HA -0.195 4.156 4.350 0.001 0.000 0.193 199 E C 1.780 178.410 176.600 0.050 0.000 0.985 199 E CA 1.231 57.688 56.400 0.094 0.000 0.814 199 E CB -0.869 28.869 29.700 0.062 0.000 0.752 199 E HN 0.532 nan 8.360 nan 0.000 0.466 200 E N 0.343 120.559 120.200 0.028 0.000 2.110 200 E HA -0.168 4.183 4.350 0.001 0.000 0.193 200 E C 1.977 178.587 176.600 0.016 0.000 0.988 200 E CA 1.483 57.886 56.400 0.004 0.000 0.804 200 E CB -0.154 29.533 29.700 -0.022 0.000 0.745 200 E HN 0.135 nan 8.360 nan 0.000 0.458 201 M N 0.427 120.047 119.600 0.033 0.000 2.156 201 M HA -0.107 4.374 4.480 0.001 0.000 0.264 201 M C 1.734 178.067 176.300 0.054 0.000 1.067 201 M CA 1.163 56.489 55.300 0.044 0.000 1.131 201 M CB -0.016 32.622 32.600 0.063 0.000 1.368 201 M HN 0.032 nan 8.290 nan 0.000 0.416 202 L N 0.442 121.706 121.223 0.068 0.000 2.013 202 L HA -0.225 4.116 4.340 0.001 0.000 0.212 202 L C 2.462 179.353 176.870 0.034 0.000 1.073 202 L CA 1.837 56.708 54.840 0.052 0.000 0.753 202 L CB -1.958 40.129 42.059 0.048 0.000 0.890 202 L HN 0.369 nan 8.230 nan 0.000 0.432 203 E N -0.248 119.968 120.200 0.027 0.000 2.031 203 E HA -0.177 4.173 4.350 0.001 0.000 0.193 203 E C 2.441 179.054 176.600 0.021 0.000 0.994 203 E CA 0.788 57.199 56.400 0.017 0.000 0.800 203 E CB -0.326 29.379 29.700 0.007 0.000 0.752 203 E HN 0.428 nan 8.360 nan 0.000 0.447 204 L N 0.684 121.922 121.223 0.024 0.000 1.990 204 L HA -0.235 4.105 4.340 0.001 0.000 0.213 204 L C 2.595 179.485 176.870 0.033 0.000 1.072 204 L CA 1.472 56.330 54.840 0.030 0.000 0.755 204 L CB -0.612 41.467 42.059 0.032 0.000 0.889 204 L HN 0.092 nan 8.230 nan 0.000 0.432 205 A N -0.313 122.528 122.820 0.035 0.000 1.978 205 A HA -0.155 4.166 4.320 0.001 0.000 0.220 205 A C 2.394 179.996 177.584 0.031 0.000 1.170 205 A CA 1.688 53.746 52.037 0.035 0.000 0.636 205 A CB -0.617 18.406 19.000 0.039 0.000 0.810 205 A HN 0.451 nan 8.150 nan 0.000 0.448 206 A N -1.112 121.724 122.820 0.028 0.000 2.119 206 A HA 0.291 4.612 4.320 0.001 0.000 0.216 206 A C 1.154 178.753 177.584 0.025 0.000 1.152 206 A CA 1.413 53.464 52.037 0.023 0.000 0.708 206 A CB -0.057 18.953 19.000 0.017 0.000 0.805 206 A HN 0.615 nan 8.150 nan 0.000 0.460 207 V N -1.900 118.031 119.914 0.028 0.000 3.017 207 V HA 0.531 4.651 4.120 0.001 0.000 0.354 207 V C 0.983 177.098 176.094 0.035 0.000 1.389 207 V CA 0.351 62.670 62.300 0.031 0.000 1.163 207 V CB -0.320 31.521 31.823 0.031 0.000 1.178 207 V HN 0.705 nan 8.190 nan 0.000 0.547 208 G N -0.268 108.552 108.800 0.034 0.000 3.967 208 G HA2 -0.133 3.828 3.960 0.001 0.000 0.210 208 G HA3 -0.133 3.828 3.960 0.001 0.000 0.210 208 G C 0.317 175.236 174.900 0.033 0.000 1.127 208 G CA 0.147 45.266 45.100 0.033 0.000 0.887 208 G HN 0.306 nan 8.290 nan 0.000 0.367 209 S N 1.788 117.509 115.700 0.036 0.000 2.546 209 S HA 0.367 4.838 4.470 0.001 0.000 0.290 209 S C 1.090 175.711 174.600 0.036 0.000 1.290 209 S CA 0.869 59.092 58.200 0.038 0.000 1.069 209 S CB 1.113 64.339 63.200 0.043 0.000 0.846 209 S HN 0.722 nan 8.310 nan 0.000 0.495 210 K N 2.594 123.015 120.400 0.036 0.000 2.438 210 K HA 0.269 4.589 4.320 0.001 0.000 0.205 210 K C 0.809 177.430 176.600 0.035 0.000 1.033 210 K CA -0.026 56.282 56.287 0.034 0.000 1.089 210 K CB -0.097 32.422 32.500 0.032 0.000 0.857 210 K HN 0.484 nan 8.250 nan 0.000 0.522 211 I N 0.871 121.463 120.570 0.037 0.000 2.113 211 I HA -0.164 4.006 4.170 0.001 0.000 0.238 211 I C 0.786 176.920 176.117 0.029 0.000 1.070 211 I CA 0.967 62.289 61.300 0.036 0.000 1.332 211 I CB -0.040 37.983 38.000 0.038 0.000 1.044 211 I HN 0.176 nan 8.210 nan 0.000 0.402 212 L N 0.808 122.048 121.223 0.029 0.000 2.334 212 L HA 0.361 4.702 4.340 0.001 0.000 0.272 212 L C -0.109 176.780 176.870 0.031 0.000 1.020 212 L CA -0.539 54.318 54.840 0.027 0.000 0.812 212 L CB 1.695 43.773 42.059 0.033 0.000 1.264 212 L HN -0.076 nan 8.230 nan 0.000 0.439 213 V N 2.037 121.968 119.914 0.028 0.000 2.614 213 V HA 0.175 4.295 4.120 0.001 0.000 0.291 213 V C 1.337 177.452 176.094 0.036 0.000 1.049 213 V CA -0.190 62.127 62.300 0.029 0.000 1.038 213 V CB 0.703 32.541 31.823 0.025 0.000 0.980 213 V HN 0.766 nan 8.190 nan 0.000 0.481 214 L N 2.883 124.127 121.223 0.036 0.000 2.013 214 L HA -0.118 4.223 4.340 0.001 0.000 0.212 214 L C 2.939 179.835 176.870 0.044 0.000 1.073 214 L CA 2.029 56.892 54.840 0.038 0.000 0.753 214 L CB -0.629 41.449 42.059 0.031 0.000 0.890 214 L HN 0.863 nan 8.230 nan 0.000 0.432 215 R N 0.296 120.824 120.500 0.046 0.000 2.105 215 R HA -0.181 4.160 4.340 0.001 0.000 0.239 215 R C 2.500 178.858 176.300 0.096 0.000 1.135 215 R CA 2.051 58.190 56.100 0.065 0.000 0.967 215 R CB -0.416 29.921 30.300 0.062 0.000 0.861 215 R HN 0.542 nan 8.270 nan 0.000 0.442 216 S N -0.606 115.136 115.700 0.069 0.000 2.383 216 S HA -0.061 4.410 4.470 0.001 0.000 0.227 216 S C 2.120 176.773 174.600 0.089 0.000 1.026 216 S CA 1.247 59.484 58.200 0.062 0.000 0.981 216 S CB -0.385 62.822 63.200 0.012 0.000 0.818 216 S HN 0.117 nan 8.310 nan 0.000 0.472 217 V N 1.963 121.921 119.914 0.074 0.000 2.453 217 V HA -0.057 4.064 4.120 0.001 0.000 0.247 217 V C 2.841 178.954 176.094 0.032 0.000 1.048 217 V CA 1.992 64.339 62.300 0.078 0.000 1.049 217 V CB -0.973 30.907 31.823 0.094 0.000 0.672 217 V HN 0.537 nan 8.190 nan 0.000 0.457 218 E N 0.013 120.235 120.200 0.036 0.000 2.085 218 E HA -0.266 4.085 4.350 0.001 0.000 0.194 218 E C 2.047 178.630 176.600 -0.028 0.000 0.994 218 E CA 1.718 58.110 56.400 -0.013 0.000 0.801 218 E CB -0.479 29.222 29.700 0.001 0.000 0.743 218 E HN 0.621 nan 8.360 nan 0.000 0.453 219 Y N 0.471 120.745 120.300 -0.044 0.000 2.070 219 Y HA -0.204 4.346 4.550 0.001 0.000 0.280 219 Y C 2.255 178.147 175.900 -0.013 0.000 1.148 219 Y CA 2.006 60.121 58.100 0.025 0.000 1.125 219 Y CB -1.011 37.489 38.460 0.067 0.000 0.975 219 Y HN 0.142 nan 8.280 nan 0.000 0.492 220 A N 0.231 123.155 122.820 0.173 0.000 1.927 220 A HA -0.328 3.992 4.320 0.001 0.000 0.220 220 A C 2.386 179.634 177.584 -0.560 0.000 1.185 220 A CA 2.339 54.340 52.037 -0.060 0.000 0.639 220 A CB -0.895 18.082 19.000 -0.039 0.000 0.820 220 A HN 0.565 nan 8.150 nan 0.000 0.451 221 R N -0.810 119.254 120.500 -0.725 0.000 2.090 221 R HA 0.017 4.357 4.340 0.001 0.000 0.228 221 R C 2.291 178.274 176.300 -0.529 0.000 1.110 221 R CA 1.170 56.684 56.100 -0.977 0.000 0.973 221 R CB -0.353 29.640 30.300 -0.511 0.000 0.869 221 R HN 0.457 nan 8.270 nan 0.000 0.440 222 A N -0.219 122.332 122.820 -0.447 0.000 2.019 222 A HA -0.093 4.227 4.320 0.001 0.000 0.219 222 A C 1.168 178.288 177.584 -0.775 0.000 1.164 222 A CA 1.020 52.679 52.037 -0.631 0.000 0.644 222 A CB -0.194 18.296 19.000 -0.850 0.000 0.805 222 A HN 0.397 nan 8.150 nan 0.000 0.449 223 F N -1.743 118.084 119.950 -0.205 0.000 2.683 223 F HA 0.286 4.814 4.527 0.001 0.000 0.306 223 F C 0.634 176.390 175.800 -0.072 0.000 1.102 223 F CA -0.253 57.682 58.000 -0.108 0.000 1.244 223 F CB -0.482 38.492 39.000 -0.043 0.000 1.029 223 F HN 0.240 nan 8.300 nan 0.000 0.545 224 N N 1.148 119.826 118.700 -0.037 0.000 2.714 224 N HA -0.170 4.570 4.740 0.001 0.000 0.253 224 N C -1.119 174.506 175.510 0.193 0.000 1.024 224 N CA -0.088 53.006 53.050 0.074 0.000 0.726 224 N CB -0.493 38.082 38.487 0.146 0.000 0.908 224 N HN -0.021 nan 8.380 nan 0.000 0.542 225 V N 1.431 121.429 119.914 0.141 0.000 2.353 225 V HA 0.305 4.425 4.120 0.001 0.000 0.264 225 V C -1.783 174.506 176.094 0.324 0.000 1.049 225 V CA -1.249 61.165 62.300 0.190 0.000 0.896 225 V CB 1.032 32.936 31.823 0.135 0.000 1.025 225 V HN 0.147 nan 8.190 nan 0.000 0.475 226 P HA 0.207 nan 4.420 nan 0.000 0.268 226 P C -0.538 176.848 177.300 0.143 0.000 1.204 226 P CA 0.170 63.393 63.100 0.205 0.000 0.768 226 P CB 0.533 32.285 31.700 0.087 0.000 0.842 227 L N 3.605 124.907 121.223 0.131 0.000 2.331 227 L HA 0.609 4.950 4.340 0.001 0.000 0.275 227 L C 0.661 177.521 176.870 -0.016 0.000 1.022 227 L CA -0.779 54.098 54.840 0.062 0.000 0.812 227 L CB 1.823 43.942 42.059 0.100 0.000 1.257 227 L HN 0.282 nan 8.230 nan 0.000 0.435 228 R N 1.203 121.663 120.500 -0.066 0.000 2.502 228 R HA 0.527 4.867 4.340 0.001 0.000 0.300 228 R C -1.559 174.633 176.300 -0.180 0.000 0.984 228 R CA -0.529 55.501 56.100 -0.117 0.000 0.882 228 R CB 1.972 32.196 30.300 -0.126 0.000 1.180 228 R HN 0.394 nan 8.270 nan 0.000 0.444 229 V N 5.594 125.418 119.914 -0.151 0.000 2.385 229 V HA 0.485 4.606 4.120 0.001 0.000 0.269 229 V C 0.177 176.156 176.094 -0.191 0.000 1.043 229 V CA -0.233 61.972 62.300 -0.159 0.000 0.906 229 V CB 1.055 32.829 31.823 -0.083 0.000 0.995 229 V HN 0.727 nan 8.190 nan 0.000 0.467 230 R N 2.625 122.951 120.500 -0.290 0.000 2.808 230 R HA 0.557 4.898 4.340 0.001 0.000 0.272 230 R C -0.637 175.581 176.300 -0.137 0.000 0.995 230 R CA -0.704 55.231 56.100 -0.275 0.000 0.917 230 R CB 2.112 32.083 30.300 -0.548 0.000 1.217 230 R HN 0.596 nan 8.270 nan 0.000 0.471 231 S N 0.128 115.847 115.700 0.033 0.000 2.580 231 S HA 0.277 4.748 4.470 0.001 0.000 0.274 231 S C 1.098 175.852 174.600 0.256 0.000 1.329 231 S CA 0.120 58.417 58.200 0.161 0.000 1.036 231 S CB 1.037 64.374 63.200 0.227 0.000 0.919 231 S HN 0.774 nan 8.310 nan 0.000 0.515 232 S N 2.426 118.206 115.700 0.132 0.000 2.575 232 S HA 0.233 4.703 4.470 0.001 0.000 0.215 232 S C 0.580 175.063 174.600 -0.195 0.000 0.966 232 S CA 0.135 58.346 58.200 0.020 0.000 0.911 232 S CB -0.235 62.896 63.200 -0.115 0.000 0.780 232 S HN 0.799 nan 8.310 nan 0.000 0.514 233 Y N 0.519 120.904 120.300 0.142 0.000 2.557 233 Y HA 0.593 5.143 4.550 0.001 0.000 0.247 233 Y C 1.018 176.970 175.900 0.086 0.000 1.164 233 Y CA -0.079 58.077 58.100 0.093 0.000 1.218 233 Y CB 0.058 38.561 38.460 0.072 0.000 1.210 233 Y HN 0.299 nan 8.280 nan 0.000 0.529 234 S N -0.056 115.784 115.700 0.234 0.000 2.607 234 S HA 0.552 5.022 4.470 0.001 0.000 0.273 234 S C -0.302 174.385 174.600 0.144 0.000 1.148 234 S CA -0.957 57.344 58.200 0.168 0.000 0.833 234 S CB 0.624 63.916 63.200 0.154 0.000 1.130 234 S HN 0.040 nan 8.310 nan 0.000 0.470 235 N N 1.347 120.112 118.700 0.107 0.000 2.320 235 N HA 0.335 5.076 4.740 0.001 0.000 0.237 235 N C -0.081 175.471 175.510 0.070 0.000 1.129 235 N CA 0.578 53.684 53.050 0.093 0.000 0.854 235 N CB 0.211 38.742 38.487 0.072 0.000 1.083 235 N HN 0.856 nan 8.380 nan 0.000 0.504 236 D N 1.056 121.498 120.400 0.070 0.000 2.383 236 D HA 0.076 4.717 4.640 0.001 0.000 0.252 236 D C -1.152 175.161 176.300 0.021 0.000 1.166 236 D CA -1.235 52.790 54.000 0.043 0.000 0.879 236 D CB 0.407 41.236 40.800 0.047 0.000 1.164 236 D HN 0.037 nan 8.370 nan 0.000 0.462 237 P HA 0.088 nan 4.420 nan 0.000 0.222 237 P C 1.268 178.534 177.300 -0.056 0.000 1.147 237 P CA 1.669 64.756 63.100 -0.021 0.000 0.790 237 P CB 0.071 31.759 31.700 -0.020 0.000 0.780 238 G N -0.756 108.008 108.800 -0.059 0.000 2.496 238 G HA2 -0.159 3.802 3.960 0.001 0.000 0.243 238 G HA3 -0.159 3.802 3.960 0.001 0.000 0.243 238 G C -0.739 174.096 174.900 -0.108 0.000 1.176 238 G CA 0.040 45.087 45.100 -0.088 0.000 0.940 238 G HN 0.341 nan 8.290 nan 0.000 0.573 239 T N 0.683 115.168 114.554 -0.115 0.000 2.848 239 T HA 0.565 4.916 4.350 0.001 0.000 0.285 239 T C -0.702 173.938 174.700 -0.101 0.000 0.995 239 T CA -0.287 61.745 62.100 -0.114 0.000 0.970 239 T CB 1.977 70.772 68.868 -0.122 0.000 0.976 239 T HN 1.036 nan 8.240 nan 0.000 0.441 240 L N 4.420 125.584 121.223 -0.098 0.000 2.264 240 L HA 0.633 4.974 4.340 0.001 0.000 0.289 240 L C -0.480 176.316 176.870 -0.123 0.000 1.044 240 L CA -0.793 53.988 54.840 -0.098 0.000 0.807 240 L CB 0.466 42.471 42.059 -0.090 0.000 1.192 240 L HN 0.742 nan 8.230 nan 0.000 0.425 241 I N 5.524 126.021 120.570 -0.122 0.000 2.306 241 I HA 0.798 4.969 4.170 0.001 0.000 0.288 241 I C -0.721 175.163 176.117 -0.388 0.000 1.036 241 I CA 0.045 61.224 61.300 -0.203 0.000 1.221 241 I CB 0.621 38.571 38.000 -0.083 0.000 1.385 241 I HN 0.802 nan 8.210 nan 0.000 0.472 242 A N 4.912 127.368 122.820 -0.607 0.000 2.594 242 A HA 0.851 5.172 4.320 0.001 0.000 0.295 242 A C -0.119 177.038 177.584 -0.711 0.000 1.071 242 A CA -0.132 51.477 52.037 -0.713 0.000 0.685 242 A CB 1.019 19.868 19.000 -0.251 0.000 1.285 242 A HN 1.788 nan 8.150 nan 0.000 0.405 243 G N -0.186 108.291 108.800 -0.537 0.000 2.731 243 G HA2 0.321 4.281 3.960 0.001 0.000 0.686 243 G HA3 0.321 4.281 3.960 0.001 0.000 0.686 243 G C 0.019 174.844 174.900 -0.125 0.000 1.395 243 G CA 0.103 45.092 45.100 -0.184 0.000 0.870 243 G HN 1.979 nan 8.290 nan 0.000 0.591 244 S N 0.586 116.335 115.700 0.081 0.000 2.585 244 S HA 0.528 4.998 4.470 0.001 0.000 0.277 244 S C 1.966 176.581 174.600 0.025 0.000 1.241 244 S CA 0.344 58.611 58.200 0.112 0.000 1.041 244 S CB 0.743 64.017 63.200 0.124 0.000 0.987 244 S HN 1.305 nan 8.310 nan 0.000 0.512 245 M N 2.642 122.254 119.600 0.020 0.000 2.374 245 M HA 0.059 4.539 4.480 0.001 0.000 0.264 245 M C 1.189 177.490 176.300 0.002 0.000 1.067 245 M CA 1.177 56.476 55.300 -0.002 0.000 1.103 245 M CB -0.330 32.269 32.600 -0.000 0.000 1.402 245 M HN 0.469 nan 8.290 nan 0.000 0.444 246 E N 1.716 121.922 120.200 0.010 0.000 2.118 246 E HA -0.175 4.175 4.350 0.001 0.000 0.195 246 E C 1.248 177.849 176.600 0.003 0.000 0.992 246 E CA 1.385 57.789 56.400 0.006 0.000 0.804 246 E CB -0.574 29.131 29.700 0.007 0.000 0.741 246 E HN 0.682 nan 8.360 nan 0.000 0.458 247 D N 0.260 120.662 120.400 0.004 0.000 2.340 247 D HA 0.064 4.705 4.640 0.001 0.000 0.220 247 D C 0.436 176.732 176.300 -0.006 0.000 1.039 247 D CA 0.066 54.067 54.000 0.001 0.000 0.866 247 D CB 0.359 41.162 40.800 0.005 0.000 0.913 247 D HN 0.178 nan 8.370 nan 0.000 0.523 248 I N 2.824 123.389 120.570 -0.009 0.000 2.396 248 I HA 0.102 4.272 4.170 0.001 0.000 0.289 248 I C -2.095 174.019 176.117 -0.005 0.000 1.056 248 I CA -1.732 59.561 61.300 -0.012 0.000 1.365 248 I CB 0.784 38.774 38.000 -0.017 0.000 1.407 248 I HN -0.365 nan 8.210 nan 0.000 0.509 249 P HA 0.030 nan 4.420 nan 0.000 0.268 249 P C 1.129 178.432 177.300 0.006 0.000 1.204 249 P CA -0.231 62.868 63.100 -0.000 0.000 0.768 249 P CB 0.766 32.466 31.700 -0.001 0.000 0.842 250 V N 3.151 123.069 119.914 0.007 0.000 2.311 250 V HA -0.325 3.796 4.120 0.001 0.000 0.256 250 V C 1.788 177.900 176.094 0.031 0.000 1.077 250 V CA 2.350 64.661 62.300 0.017 0.000 1.067 250 V CB -1.206 30.621 31.823 0.007 0.000 0.659 250 V HN 0.631 nan 8.190 nan 0.000 0.451 251 E N -0.104 120.109 120.200 0.022 0.000 2.274 251 E HA -0.129 4.222 4.350 0.001 0.000 0.194 251 E C 1.867 178.485 176.600 0.031 0.000 0.996 251 E CA 0.902 57.321 56.400 0.030 0.000 0.840 251 E CB -0.228 29.483 29.700 0.017 0.000 0.772 251 E HN 0.703 nan 8.360 nan 0.000 0.491 252 E N 0.326 120.537 120.200 0.018 0.000 2.472 252 E HA 0.247 4.597 4.350 0.001 0.000 0.196 252 E C -0.045 176.558 176.600 0.005 0.000 1.033 252 E CA -0.023 56.383 56.400 0.009 0.000 0.886 252 E CB 0.542 30.241 29.700 -0.001 0.000 0.944 252 E HN 0.177 nan 8.360 nan 0.000 0.492 253 A N 1.572 124.400 122.820 0.012 0.000 2.454 253 A HA 0.324 4.645 4.320 0.001 0.000 0.260 253 A C -0.095 177.487 177.584 -0.003 0.000 1.106 253 A CA -0.106 51.933 52.037 0.002 0.000 0.780 253 A CB 0.657 19.663 19.000 0.010 0.000 1.044 253 A HN 0.091 nan 8.150 nan 0.000 0.498 254 V N 3.600 123.499 119.914 -0.025 0.000 3.204 254 V HA 0.612 4.732 4.120 0.001 0.000 0.316 254 V C -0.222 175.831 176.094 -0.068 0.000 1.160 254 V CA -0.953 61.321 62.300 -0.043 0.000 1.044 254 V CB 1.912 33.712 31.823 -0.037 0.000 1.136 254 V HN 0.789 nan 8.190 nan 0.000 0.455 255 L N 1.680 122.847 121.223 -0.094 0.000 2.334 255 L HA 0.443 4.784 4.340 0.001 0.000 0.277 255 L C 0.985 177.800 176.870 -0.092 0.000 1.075 255 L CA -0.149 54.611 54.840 -0.133 0.000 0.804 255 L CB 1.329 43.241 42.059 -0.246 0.000 1.174 255 L HN 0.691 nan 8.230 nan 0.000 0.438 256 T N 0.330 114.835 114.554 -0.080 0.000 3.044 256 T HA 0.310 4.661 4.350 0.001 0.000 0.237 256 T C 0.427 175.117 174.700 -0.017 0.000 1.001 256 T CA 0.532 62.604 62.100 -0.046 0.000 1.160 256 T CB 0.646 69.490 68.868 -0.041 0.000 0.889 256 T HN 0.825 nan 8.240 nan 0.000 0.442 257 G N 0.000 108.794 108.800 -0.011 0.000 2.559 257 G HA2 0.524 4.484 3.960 0.001 0.000 0.291 257 G HA3 0.524 4.484 3.960 0.001 0.000 0.291 257 G C -2.092 172.839 174.900 0.051 0.000 1.424 257 G CA -0.516 44.609 45.100 0.042 0.000 0.786 257 G HN 0.122 nan 8.290 nan 0.000 0.485 258 V N 0.178 120.154 119.914 0.102 0.000 2.459 258 V HA 0.821 4.942 4.120 0.001 0.000 0.295 258 V C 0.373 176.515 176.094 0.079 0.000 1.029 258 V CA -0.178 62.180 62.300 0.097 0.000 0.874 258 V CB 1.170 33.067 31.823 0.124 0.000 0.985 258 V HN 1.413 nan 8.190 nan 0.000 0.438 259 A N 3.128 125.990 122.820 0.070 0.000 2.401 259 A HA 0.970 5.290 4.320 0.001 0.000 0.310 259 A C -0.183 177.432 177.584 0.052 0.000 1.075 259 A CA -0.439 51.631 52.037 0.056 0.000 0.746 259 A CB 2.054 21.085 19.000 0.052 0.000 1.277 259 A HN 0.957 nan 8.150 nan 0.000 0.425 260 T N -1.127 113.449 114.554 0.037 0.000 2.893 260 T HA 0.656 5.006 4.350 0.001 0.000 0.293 260 T C -1.671 173.044 174.700 0.026 0.000 1.027 260 T CA -0.543 61.575 62.100 0.031 0.000 0.988 260 T CB 1.849 70.726 68.868 0.016 0.000 1.043 260 T HN 0.528 nan 8.240 nan 0.000 0.461 261 D N 1.722 122.138 120.400 0.026 0.000 2.542 261 D HA 0.288 4.929 4.640 0.001 0.000 0.252 261 D C 0.088 176.397 176.300 0.015 0.000 1.222 261 D CA -0.725 53.288 54.000 0.022 0.000 0.895 261 D CB 1.622 42.438 40.800 0.027 0.000 1.207 261 D HN 0.812 nan 8.370 nan 0.000 0.558 262 K N 1.108 121.514 120.400 0.010 0.000 2.593 262 K HA 0.201 4.522 4.320 0.001 0.000 0.208 262 K C 0.568 177.171 176.600 0.005 0.000 1.051 262 K CA -0.339 55.950 56.287 0.004 0.000 1.111 262 K CB 0.278 32.778 32.500 0.000 0.000 0.849 262 K HN 0.113 nan 8.250 nan 0.000 0.479 263 S N -0.688 115.019 115.700 0.012 0.000 2.523 263 S HA 0.112 4.583 4.470 0.001 0.000 0.217 263 S C 0.070 174.682 174.600 0.020 0.000 0.996 263 S CA -0.533 57.678 58.200 0.018 0.000 0.921 263 S CB 0.018 63.233 63.200 0.024 0.000 0.829 263 S HN 0.226 nan 8.310 nan 0.000 0.495 264 E N 1.487 121.694 120.200 0.012 0.000 2.250 264 E HA 0.760 5.111 4.350 0.001 0.000 0.265 264 E C -0.355 176.232 176.600 -0.022 0.000 1.033 264 E CA -0.529 55.878 56.400 0.012 0.000 0.888 264 E CB 1.587 31.296 29.700 0.015 0.000 1.151 264 E HN 0.356 nan 8.360 nan 0.000 0.412 265 A N 1.019 123.821 122.820 -0.030 0.000 2.346 265 A HA 0.602 4.923 4.320 0.001 0.000 0.313 265 A C -0.632 176.864 177.584 -0.147 0.000 1.140 265 A CA -0.681 51.284 52.037 -0.120 0.000 0.826 265 A CB 1.340 20.280 19.000 -0.101 0.000 1.332 265 A HN 0.446 nan 8.150 nan 0.000 0.457 266 K N 1.038 121.289 120.400 -0.248 0.000 2.413 266 K HA 0.605 4.926 4.320 0.001 0.000 0.257 266 K C -1.818 174.570 176.600 -0.353 0.000 0.946 266 K CA -0.360 55.763 56.287 -0.273 0.000 0.823 266 K CB 1.595 33.974 32.500 -0.202 0.000 1.109 266 K HN 0.439 nan 8.250 nan 0.000 0.427 267 V N 3.124 122.689 119.914 -0.582 0.000 2.459 267 V HA 0.404 4.524 4.120 0.001 0.000 0.295 267 V C -0.413 175.366 176.094 -0.525 0.000 1.029 267 V CA -0.626 61.329 62.300 -0.575 0.000 0.874 267 V CB 1.866 33.175 31.823 -0.857 0.000 0.985 267 V HN 0.832 nan 8.190 nan 0.000 0.438 268 T N 3.892 118.285 114.554 -0.267 0.000 2.792 268 T HA 0.524 4.875 4.350 0.001 0.000 0.280 268 T C -0.462 174.141 174.700 -0.161 0.000 0.990 268 T CA -0.392 61.599 62.100 -0.183 0.000 0.960 268 T CB 1.616 70.415 68.868 -0.115 0.000 0.939 268 T HN 0.345 nan 8.240 nan 0.000 0.439 269 V N 5.264 125.064 119.914 -0.190 0.000 2.328 269 V HA 0.407 4.528 4.120 0.001 0.000 0.278 269 V C -0.060 175.924 176.094 -0.183 0.000 1.021 269 V CA -0.753 61.359 62.300 -0.313 0.000 0.838 269 V CB 0.650 32.095 31.823 -0.630 0.000 0.999 269 V HN 0.725 nan 8.190 nan 0.000 0.447 270 L N 3.879 125.051 121.223 -0.086 0.000 2.325 270 L HA 0.707 5.048 4.340 0.001 0.000 0.279 270 L C 1.191 178.107 176.870 0.076 0.000 1.054 270 L CA -0.153 54.687 54.840 0.000 0.000 0.804 270 L CB 1.392 43.463 42.059 0.021 0.000 1.200 270 L HN 0.881 nan 8.230 nan 0.000 0.436 271 G N 3.244 112.092 108.800 0.080 0.000 2.212 271 G HA2 -0.250 3.710 3.960 0.001 0.000 0.255 271 G HA3 -0.250 3.710 3.960 0.001 0.000 0.255 271 G C -0.192 174.816 174.900 0.180 0.000 1.062 271 G CA -0.396 44.775 45.100 0.118 0.000 0.815 271 G HN 0.458 nan 8.290 nan 0.000 0.497 272 I N 1.845 122.515 120.570 0.167 0.000 2.496 272 I HA 0.299 4.469 4.170 0.001 0.000 0.285 272 I C 1.306 177.507 176.117 0.141 0.000 1.080 272 I CA -0.043 61.386 61.300 0.215 0.000 1.404 272 I CB 1.200 39.294 38.000 0.155 0.000 1.403 272 I HN 0.368 nan 8.210 nan 0.000 0.539 273 S N 3.063 118.843 115.700 0.134 0.000 2.549 273 S HA 0.075 4.545 4.470 0.001 0.000 0.279 273 S C -0.243 174.404 174.600 0.079 0.000 1.321 273 S CA -0.899 57.353 58.200 0.087 0.000 1.054 273 S CB 0.980 64.221 63.200 0.067 0.000 0.899 273 S HN 0.606 nan 8.310 nan 0.000 0.497 274 D N 1.476 121.912 120.400 0.060 0.000 2.435 274 D HA 0.303 4.944 4.640 0.001 0.000 0.230 274 D C -0.283 176.045 176.300 0.046 0.000 1.215 274 D CA 0.022 54.054 54.000 0.053 0.000 0.947 274 D CB -0.185 40.640 40.800 0.042 0.000 1.048 274 D HN 0.635 nan 8.370 nan 0.000 0.512 275 K N 3.098 123.529 120.400 0.051 0.000 2.572 275 K HA 0.422 4.743 4.320 0.001 0.000 0.263 275 K C -2.916 173.713 176.600 0.048 0.000 0.932 275 K CA -1.745 54.569 56.287 0.044 0.000 0.838 275 K CB 1.379 33.904 32.500 0.043 0.000 1.366 275 K HN 0.002 nan 8.250 nan 0.000 0.425 276 P HA 0.082 nan 4.420 nan 0.000 0.262 276 P C 0.318 177.647 177.300 0.047 0.000 1.182 276 P CA 1.406 64.529 63.100 0.039 0.000 0.761 276 P CB 0.648 32.366 31.700 0.029 0.000 0.795 277 G N 2.390 111.224 108.800 0.056 0.000 2.175 277 G HA2 -0.275 3.686 3.960 0.001 0.000 0.244 277 G HA3 -0.275 3.686 3.960 0.001 0.000 0.244 277 G C 1.077 176.031 174.900 0.089 0.000 0.982 277 G CA 0.412 45.551 45.100 0.064 0.000 0.641 277 G HN 0.506 nan 8.290 nan 0.000 0.527 278 E N 0.483 120.744 120.200 0.101 0.000 2.086 278 E HA 0.426 4.777 4.350 0.001 0.000 0.190 278 E C 2.793 179.493 176.600 0.165 0.000 0.975 278 E CA 1.836 58.320 56.400 0.140 0.000 0.813 278 E CB -0.537 29.245 29.700 0.136 0.000 0.768 278 E HN 0.805 nan 8.360 nan 0.000 0.457 279 A N 0.798 123.706 122.820 0.146 0.000 1.978 279 A HA -0.121 4.199 4.320 0.001 0.000 0.220 279 A C 2.352 180.074 177.584 0.231 0.000 1.170 279 A CA 1.902 54.055 52.037 0.193 0.000 0.636 279 A CB -0.860 18.265 19.000 0.208 0.000 0.810 279 A HN 0.319 nan 8.150 nan 0.000 0.448 280 A N 0.053 122.973 122.820 0.167 0.000 1.883 280 A HA -0.211 4.109 4.320 0.001 0.000 0.217 280 A C 2.084 179.748 177.584 0.133 0.000 1.186 280 A CA 1.932 54.056 52.037 0.146 0.000 0.624 280 A CB -0.516 18.541 19.000 0.095 0.000 0.822 280 A HN 0.554 nan 8.150 nan 0.000 0.444 281 K N -0.616 119.866 120.400 0.136 0.000 2.089 281 K HA -0.146 4.175 4.320 0.001 0.000 0.210 281 K C 1.884 178.569 176.600 0.141 0.000 1.048 281 K CA 1.644 58.021 56.287 0.149 0.000 0.926 281 K CB -0.462 32.160 32.500 0.203 0.000 0.714 281 K HN 0.318 nan 8.250 nan 0.000 0.448 282 V N 0.392 120.343 119.914 0.061 0.000 2.270 282 V HA -0.201 3.920 4.120 0.001 0.000 0.245 282 V C 1.871 177.729 176.094 -0.393 0.000 1.043 282 V CA 1.714 63.870 62.300 -0.239 0.000 1.014 282 V CB -0.415 31.018 31.823 -0.651 0.000 0.645 282 V HN 0.175 nan 8.190 nan 0.000 0.447 283 F N -0.651 119.255 119.950 -0.073 0.000 2.558 283 F HA 0.048 4.575 4.527 0.001 0.000 0.298 283 F C 2.477 178.234 175.800 -0.070 0.000 1.119 283 F CA 0.690 58.616 58.000 -0.123 0.000 1.451 283 F CB -0.359 38.563 39.000 -0.129 0.000 1.091 283 F HN -0.063 nan 8.300 nan 0.000 0.563 284 R N 0.516 121.067 120.500 0.086 0.000 2.066 284 R HA -0.067 4.274 4.340 0.001 0.000 0.232 284 R C 2.442 178.759 176.300 0.028 0.000 1.131 284 R CA 1.240 57.373 56.100 0.056 0.000 0.955 284 R CB -0.965 29.369 30.300 0.057 0.000 0.851 284 R HN 0.289 nan 8.270 nan 0.000 0.432 285 A N 1.272 124.103 122.820 0.019 0.000 1.903 285 A HA -0.190 4.130 4.320 0.001 0.000 0.219 285 A C 2.377 179.957 177.584 -0.007 0.000 1.191 285 A CA 1.531 53.578 52.037 0.016 0.000 0.638 285 A CB -0.684 18.340 19.000 0.040 0.000 0.823 285 A HN 0.256 nan 8.150 nan 0.000 0.451 286 L N -1.181 120.009 121.223 -0.055 0.000 2.044 286 L HA -0.100 4.240 4.340 0.001 0.000 0.205 286 L C 3.121 179.982 176.870 -0.015 0.000 1.075 286 L CA 0.939 55.738 54.840 -0.068 0.000 0.747 286 L CB -0.656 41.281 42.059 -0.203 0.000 0.903 286 L HN 0.412 nan 8.230 nan 0.000 0.435 287 A N 0.122 122.947 122.820 0.008 0.000 1.917 287 A HA -0.266 4.054 4.320 0.001 0.000 0.219 287 A C 1.908 179.503 177.584 0.017 0.000 1.182 287 A CA 2.261 54.310 52.037 0.021 0.000 0.633 287 A CB -0.606 18.414 19.000 0.033 0.000 0.819 287 A HN 0.381 nan 8.150 nan 0.000 0.448 288 D N -0.242 120.168 120.400 0.017 0.000 2.178 288 D HA 0.039 4.680 4.640 0.001 0.000 0.202 288 D C 1.880 178.190 176.300 0.016 0.000 0.974 288 D CA 1.333 55.343 54.000 0.017 0.000 0.841 288 D CB -0.299 40.512 40.800 0.018 0.000 0.953 288 D HN 0.446 nan 8.370 nan 0.000 0.478 289 A N 0.241 123.070 122.820 0.016 0.000 2.238 289 A HA -0.000 4.321 4.320 0.001 0.000 0.208 289 A C 0.561 178.158 177.584 0.023 0.000 1.177 289 A CA 0.157 52.206 52.037 0.020 0.000 0.804 289 A CB -0.385 18.628 19.000 0.023 0.000 0.823 289 A HN 0.189 nan 8.150 nan 0.000 0.482 290 E N -1.153 119.059 120.200 0.021 0.000 2.476 290 E HA -0.201 4.150 4.350 0.001 0.000 0.251 290 E C -0.775 175.844 176.600 0.031 0.000 1.130 290 E CA 0.388 56.803 56.400 0.024 0.000 0.736 290 E CB -1.497 28.217 29.700 0.023 0.000 1.298 290 E HN 0.735 nan 8.360 nan 0.000 0.400 291 I N 1.636 122.225 120.570 0.032 0.000 2.452 291 I HA 0.014 4.184 4.170 0.001 0.000 0.287 291 I C 0.594 176.740 176.117 0.048 0.000 1.079 291 I CA -0.284 61.047 61.300 0.051 0.000 1.387 291 I CB 0.376 38.410 38.000 0.056 0.000 1.404 291 I HN 0.002 nan 8.210 nan 0.000 0.522 292 N N 7.654 126.393 118.700 0.065 0.000 2.416 292 N HA 0.183 4.924 4.740 0.001 0.000 0.265 292 N C -0.476 175.088 175.510 0.088 0.000 1.195 292 N CA -0.094 52.993 53.050 0.062 0.000 0.943 292 N CB 0.443 38.965 38.487 0.058 0.000 1.115 292 N HN 0.313 nan 8.380 nan 0.000 0.481 293 I N 1.447 122.057 120.570 0.065 0.000 2.342 293 I HA 0.077 4.248 4.170 0.001 0.000 0.291 293 I C 1.316 177.479 176.117 0.077 0.000 1.010 293 I CA -0.253 61.103 61.300 0.094 0.000 1.308 293 I CB 1.218 39.235 38.000 0.028 0.000 1.400 293 I HN 0.507 nan 8.210 nan 0.000 0.488 294 D N 5.749 126.217 120.400 0.114 0.000 2.380 294 D HA 0.142 4.782 4.640 0.001 0.000 0.212 294 D C 0.302 176.637 176.300 0.059 0.000 1.021 294 D CA 0.453 54.498 54.000 0.075 0.000 0.884 294 D CB 0.794 41.642 40.800 0.080 0.000 1.001 294 D HN 0.521 nan 8.370 nan 0.000 0.506 295 M N 0.789 120.441 119.600 0.088 0.000 2.366 295 M HA 0.297 4.777 4.480 0.001 0.000 0.287 295 M C -2.410 173.961 176.300 0.119 0.000 1.083 295 M CA -0.766 54.573 55.300 0.066 0.000 0.934 295 M CB 1.723 34.355 32.600 0.054 0.000 1.852 295 M HN -0.182 nan 8.290 nan 0.000 0.502 296 V N 4.967 124.923 119.914 0.069 0.000 2.876 296 V HA 0.880 5.000 4.120 0.001 0.000 0.312 296 V C -2.402 173.731 176.094 0.066 0.000 1.085 296 V CA -0.508 61.866 62.300 0.124 0.000 0.945 296 V CB 2.324 34.208 31.823 0.100 0.000 1.017 296 V HN 0.888 nan 8.190 nan 0.000 0.428 297 L N 5.121 126.403 121.223 0.098 0.000 2.438 297 L HA 0.664 5.004 4.340 0.001 0.000 0.270 297 L C -0.548 176.360 176.870 0.065 0.000 0.972 297 L CA 0.040 54.913 54.840 0.054 0.000 0.831 297 L CB 1.674 43.755 42.059 0.036 0.000 1.273 297 L HN 0.931 nan 8.230 nan 0.000 0.405 298 Q N 2.945 122.772 119.800 0.045 0.000 2.285 298 Q HA 0.467 4.808 4.340 0.001 0.000 0.269 298 Q C -1.402 174.613 176.000 0.025 0.000 1.030 298 Q CA -0.565 55.264 55.803 0.044 0.000 0.788 298 Q CB 2.162 30.934 28.738 0.058 0.000 1.266 298 Q HN 0.622 nan 8.270 nan 0.000 0.438 299 N N 1.625 120.337 118.700 0.020 0.000 2.485 299 N HA 0.334 5.075 4.740 0.001 0.000 0.280 299 N C -0.811 174.709 175.510 0.016 0.000 1.205 299 N CA -0.478 52.580 53.050 0.013 0.000 0.959 299 N CB 1.776 40.268 38.487 0.009 0.000 1.206 299 N HN 0.472 nan 8.380 nan 0.000 0.545 300 V N 0.762 120.684 119.914 0.013 0.000 3.209 300 V HA 0.446 4.567 4.120 0.001 0.000 0.305 300 V C 0.247 176.351 176.094 0.017 0.000 1.127 300 V CA 1.413 63.721 62.300 0.014 0.000 1.235 300 V CB -1.148 30.681 31.823 0.010 0.000 0.987 300 V HN 0.582 nan 8.190 nan 0.000 0.499 307 T N -3.214 111.363 114.554 0.039 0.000 2.821 307 T HA 0.811 5.162 4.350 0.001 0.000 0.306 307 T C -0.838 173.889 174.700 0.046 0.000 1.313 307 T CA -0.006 62.125 62.100 0.051 0.000 1.012 307 T CB 2.956 71.860 68.868 0.059 0.000 1.298 307 T HN 0.475 nan 8.240 nan 0.000 0.502 308 T N -0.536 114.048 114.554 0.052 0.000 2.654 308 T HA 0.626 4.976 4.350 0.001 0.000 0.289 308 T C -1.959 172.762 174.700 0.035 0.000 1.062 308 T CA -0.576 61.548 62.100 0.040 0.000 1.041 308 T CB 1.639 70.530 68.868 0.038 0.000 1.417 308 T HN 0.769 nan 8.240 nan 0.000 0.510 309 D N 1.006 121.419 120.400 0.022 0.000 2.619 309 D HA 0.580 5.221 4.640 0.001 0.000 0.241 309 D C -0.797 175.508 176.300 0.008 0.000 1.087 309 D CA -0.200 53.802 54.000 0.002 0.000 0.851 309 D CB 1.763 42.561 40.800 -0.002 0.000 1.474 309 D HN 0.454 nan 8.370 nan 0.000 0.478 310 I N 1.007 121.569 120.570 -0.012 0.000 2.436 310 I HA 0.250 4.421 4.170 0.001 0.000 0.289 310 I C -0.124 176.024 176.117 0.051 0.000 1.010 310 I CA -0.413 60.916 61.300 0.049 0.000 1.098 310 I CB 2.137 40.184 38.000 0.078 0.000 1.266 310 I HN 0.031 nan 8.210 nan 0.000 0.434 311 T N 6.244 120.851 114.554 0.089 0.000 2.888 311 T HA 0.747 5.097 4.350 0.001 0.000 0.284 311 T C -0.707 174.117 174.700 0.207 0.000 1.017 311 T CA -0.343 61.779 62.100 0.037 0.000 1.022 311 T CB 1.330 70.186 68.868 -0.020 0.000 1.013 311 T HN 0.437 nan 8.240 nan 0.000 0.465 312 F N -1.142 118.836 119.950 0.046 0.000 2.711 312 F HA 0.797 5.325 4.527 0.001 0.000 0.313 312 F C -0.719 175.110 175.800 0.048 0.000 1.141 312 F CA -1.032 57.019 58.000 0.085 0.000 0.941 312 F CB 1.123 40.241 39.000 0.197 0.000 1.349 312 F HN 0.348 nan 8.300 nan 0.000 0.464 313 T N 1.407 116.104 114.554 0.238 0.000 2.888 313 T HA 0.682 5.033 4.350 0.001 0.000 0.284 313 T C -1.077 173.785 174.700 0.269 0.000 1.017 313 T CA -0.329 61.843 62.100 0.118 0.000 1.022 313 T CB 1.151 70.064 68.868 0.074 0.000 1.013 313 T HN 1.061 nan 8.240 nan 0.000 0.465 314 C N 2.344 121.753 119.300 0.180 0.000 3.239 314 C HA 0.776 5.237 4.460 0.001 0.000 0.317 314 C C -3.102 171.961 174.990 0.121 0.000 1.310 314 C CA -2.636 56.503 59.018 0.201 0.000 1.371 314 C CB 0.901 28.824 27.740 0.305 0.000 1.714 314 C HN 0.515 nan 8.230 nan 0.000 0.473 315 P HA 0.158 nan 4.420 nan 0.000 0.265 315 P C 0.631 177.983 177.300 0.088 0.000 1.187 315 P CA 0.417 63.564 63.100 0.079 0.000 0.766 315 P CB 0.431 32.173 31.700 0.071 0.000 0.820 316 R N 1.515 122.057 120.500 0.070 0.000 2.120 316 R HA -0.117 4.224 4.340 0.001 0.000 0.234 316 R C 2.068 178.430 176.300 0.104 0.000 1.123 316 R CA 1.933 58.083 56.100 0.085 0.000 0.975 316 R CB -0.597 29.737 30.300 0.056 0.000 0.866 316 R HN 0.604 nan 8.270 nan 0.000 0.446 317 S N 0.362 116.109 115.700 0.079 0.000 2.507 317 S HA -0.085 4.385 4.470 0.001 0.000 0.235 317 S C 0.966 175.612 174.600 0.076 0.000 0.988 317 S CA 1.064 59.307 58.200 0.070 0.000 0.944 317 S CB 0.097 63.329 63.200 0.053 0.000 0.762 317 S HN 0.203 nan 8.310 nan 0.000 0.526 318 D N 1.178 121.636 120.400 0.097 0.000 2.367 318 D HA 0.208 4.848 4.640 0.001 0.000 0.207 318 D C 2.013 178.392 176.300 0.131 0.000 1.034 318 D CA 0.691 54.753 54.000 0.104 0.000 0.861 318 D CB -0.436 40.432 40.800 0.113 0.000 0.943 318 D HN 0.495 nan 8.370 nan 0.000 0.515 319 G N 1.384 110.290 108.800 0.176 0.000 2.476 319 G HA2 -0.393 3.568 3.960 0.001 0.000 0.218 319 G HA3 -0.393 3.568 3.960 0.001 0.000 0.218 319 G C 1.906 176.847 174.900 0.069 0.000 1.164 319 G CA 1.758 47.022 45.100 0.274 0.000 0.768 319 G HN 0.432 nan 8.290 nan 0.000 0.560 320 R N 0.314 120.784 120.500 -0.050 0.000 2.066 320 R HA 0.108 4.448 4.340 0.001 0.000 0.232 320 R C 2.464 178.708 176.300 -0.094 0.000 1.131 320 R CA 1.890 57.871 56.100 -0.198 0.000 0.955 320 R CB -1.057 29.161 30.300 -0.138 0.000 0.851 320 R HN 0.482 nan 8.270 nan 0.000 0.432 321 R N -0.152 120.337 120.500 -0.018 0.000 2.083 321 R HA -0.074 4.267 4.340 0.001 0.000 0.237 321 R C 2.640 178.961 176.300 0.035 0.000 1.137 321 R CA 1.887 57.993 56.100 0.010 0.000 0.951 321 R CB -0.571 29.746 30.300 0.028 0.000 0.851 321 R HN 0.527 nan 8.270 nan 0.000 0.434 322 A N 0.471 123.337 122.820 0.077 0.000 1.908 322 A HA -0.224 4.097 4.320 0.001 0.000 0.218 322 A C 2.232 179.885 177.584 0.115 0.000 1.181 322 A CA 1.691 53.814 52.037 0.143 0.000 0.627 322 A CB -0.569 18.599 19.000 0.281 0.000 0.818 322 A HN 0.472 nan 8.150 nan 0.000 0.445 323 M N -0.027 119.597 119.600 0.040 0.000 2.132 323 M HA -0.165 4.315 4.480 0.001 0.000 0.263 323 M C 2.272 178.577 176.300 0.009 0.000 1.065 323 M CA 2.143 57.443 55.300 0.001 0.000 1.122 323 M CB -0.389 32.129 32.600 -0.137 0.000 1.365 323 M HN 0.725 nan 8.290 nan 0.000 0.411 324 E N -0.101 120.091 120.200 -0.014 0.000 2.072 324 E HA -0.205 4.146 4.350 0.001 0.000 0.191 324 E C 1.962 178.585 176.600 0.037 0.000 0.985 324 E CA 1.017 57.418 56.400 0.003 0.000 0.801 324 E CB -0.590 29.099 29.700 -0.017 0.000 0.750 324 E HN 0.403 nan 8.360 nan 0.000 0.452 325 I N 1.064 121.662 120.570 0.047 0.000 2.163 325 I HA -0.213 3.958 4.170 0.001 0.000 0.243 325 I C 2.305 178.491 176.117 0.115 0.000 1.085 325 I CA 1.008 62.347 61.300 0.065 0.000 1.347 325 I CB -0.539 37.494 38.000 0.055 0.000 1.044 325 I HN 0.182 nan 8.210 nan 0.000 0.408 326 L N 0.195 121.505 121.223 0.145 0.000 2.156 326 L HA -0.115 4.226 4.340 0.001 0.000 0.208 326 L C 2.344 179.408 176.870 0.323 0.000 1.095 326 L CA 1.413 56.411 54.840 0.264 0.000 0.770 326 L CB -1.163 40.993 42.059 0.162 0.000 0.914 326 L HN 0.135 nan 8.230 nan 0.000 0.439 327 K N -0.277 120.232 120.400 0.181 0.000 2.148 327 K HA -0.086 4.235 4.320 0.001 0.000 0.204 327 K C 1.986 178.640 176.600 0.091 0.000 1.050 327 K CA 0.650 57.023 56.287 0.143 0.000 0.942 327 K CB 0.105 32.651 32.500 0.076 0.000 0.724 327 K HN 0.254 nan 8.250 nan 0.000 0.446 328 K N 0.582 121.024 120.400 0.070 0.000 2.103 328 K HA 0.018 4.339 4.320 0.001 0.000 0.204 328 K C 1.857 178.452 176.600 -0.007 0.000 1.052 328 K CA 0.411 56.713 56.287 0.025 0.000 0.945 328 K CB 0.022 32.535 32.500 0.021 0.000 0.722 328 K HN 0.105 nan 8.250 nan 0.000 0.443 329 L N 1.198 122.434 121.223 0.022 0.000 2.551 329 L HA -0.083 4.258 4.340 0.001 0.000 0.228 329 L C 2.265 178.923 176.870 -0.353 0.000 1.153 329 L CA 1.023 55.800 54.840 -0.106 0.000 0.851 329 L CB -0.452 41.622 42.059 0.025 0.000 0.959 329 L HN 0.340 nan 8.230 nan 0.000 0.451 330 Q N -0.511 119.177 119.800 -0.187 0.000 2.137 330 Q HA -0.141 4.200 4.340 0.001 0.000 0.198 330 Q C 2.273 178.138 176.000 -0.225 0.000 0.960 330 Q CA 0.881 56.515 55.803 -0.282 0.000 0.847 330 Q CB 0.302 29.056 28.738 0.026 0.000 0.915 330 Q HN 0.301 nan 8.270 nan 0.000 0.448 331 V N 1.087 120.921 119.914 -0.134 0.000 2.380 331 V HA -0.341 3.780 4.120 0.001 0.000 0.251 331 V C 2.213 178.219 176.094 -0.147 0.000 1.063 331 V CA 2.475 64.710 62.300 -0.108 0.000 1.055 331 V CB -0.392 31.390 31.823 -0.069 0.000 0.657 331 V HN 0.522 nan 8.190 nan 0.000 0.455 332 Q N -0.536 119.144 119.800 -0.200 0.000 2.325 332 Q HA -0.147 4.193 4.340 0.001 0.000 0.211 332 Q C 1.683 177.552 176.000 -0.219 0.000 0.988 332 Q CA 1.890 57.566 55.803 -0.213 0.000 0.887 332 Q CB -0.269 28.302 28.738 -0.278 0.000 0.915 332 Q HN 0.894 nan 8.270 nan 0.000 0.440 333 G N -1.106 107.542 108.800 -0.254 0.000 2.259 333 G HA2 -0.372 3.588 3.960 0.001 0.000 0.217 333 G HA3 -0.372 3.588 3.960 0.001 0.000 0.217 333 G C 0.459 175.234 174.900 -0.209 0.000 1.001 333 G CA 0.414 45.404 45.100 -0.184 0.000 0.627 333 G HN 0.546 nan 8.290 nan 0.000 0.501 334 N N 0.841 119.341 118.700 -0.334 0.000 2.019 334 N HA -0.023 4.718 4.740 0.001 0.000 0.198 334 N C 1.147 176.594 175.510 -0.105 0.000 1.065 334 N CA 1.982 54.867 53.050 -0.275 0.000 0.881 334 N CB -0.978 37.226 38.487 -0.471 0.000 1.079 334 N HN 1.049 nan 8.380 nan 0.000 0.460 335 W N -1.112 120.189 121.300 0.003 0.000 2.436 335 W HA 0.599 5.260 4.660 0.001 0.000 0.347 335 W C 1.286 177.808 176.519 0.005 0.000 1.136 335 W CA -0.379 56.970 57.345 0.006 0.000 1.286 335 W CB 0.036 29.500 29.460 0.006 0.000 1.253 335 W HN 0.258 nan 8.180 nan 0.000 0.617 336 T N -2.430 112.296 114.554 0.286 0.000 3.051 336 T HA 0.138 4.488 4.350 0.001 0.000 0.255 336 T C 0.153 174.953 174.700 0.166 0.000 1.085 336 T CA 0.518 62.714 62.100 0.160 0.000 1.109 336 T CB -0.306 68.626 68.868 0.106 0.000 0.921 336 T HN 0.490 nan 8.240 nan 0.000 0.488 337 N N -0.607 118.226 118.700 0.221 0.000 3.043 337 N HA 0.398 5.138 4.740 0.001 0.000 0.243 337 N C -2.331 173.253 175.510 0.124 0.000 1.347 337 N CA -0.482 52.661 53.050 0.155 0.000 0.896 337 N CB 2.103 40.640 38.487 0.084 0.000 1.501 337 N HN 0.141 nan 8.380 nan 0.000 0.504 338 V N 2.704 122.672 119.914 0.090 0.000 2.686 338 V HA 0.655 4.776 4.120 0.001 0.000 0.306 338 V C -1.232 174.877 176.094 0.026 0.000 1.065 338 V CA -0.500 61.812 62.300 0.020 0.000 0.894 338 V CB 1.300 33.142 31.823 0.032 0.000 1.004 338 V HN 0.567 nan 8.190 nan 0.000 0.424 339 L N 6.040 127.260 121.223 -0.006 0.000 2.334 339 L HA 0.678 5.019 4.340 0.001 0.000 0.270 339 L C -1.189 175.712 176.870 0.051 0.000 1.018 339 L CA -0.922 53.929 54.840 0.018 0.000 0.811 339 L CB 1.914 43.963 42.059 -0.018 0.000 1.271 339 L HN 0.822 nan 8.230 nan 0.000 0.443 340 Y N 0.899 121.154 120.300 -0.076 0.000 2.433 340 Y HA 0.482 5.032 4.550 0.001 0.000 0.337 340 Y C -1.615 174.245 175.900 -0.066 0.000 1.026 340 Y CA -0.914 57.135 58.100 -0.084 0.000 1.037 340 Y CB 1.838 40.266 38.460 -0.054 0.000 1.245 340 Y HN 0.529 nan 8.280 nan 0.000 0.443 341 D N 4.729 124.703 120.400 -0.710 0.000 2.478 341 D HA 0.185 4.826 4.640 0.001 0.000 0.240 341 D C -1.175 174.766 176.300 -0.598 0.000 1.364 341 D CA -0.438 53.245 54.000 -0.527 0.000 0.987 341 D CB 1.031 41.671 40.800 -0.266 0.000 1.328 341 D HN 0.718 nan 8.370 nan 0.000 0.584 342 D N 2.059 122.119 120.400 -0.566 0.000 2.559 342 D HA 0.049 4.690 4.640 0.001 0.000 0.234 342 D C 0.155 176.358 176.300 -0.162 0.000 1.226 342 D CA -0.038 53.750 54.000 -0.354 0.000 0.830 342 D CB 0.202 40.842 40.800 -0.267 0.000 1.028 342 D HN 0.390 nan 8.370 nan 0.000 0.492 343 Q N 0.464 120.176 119.800 -0.146 0.000 2.115 343 Q HA 0.196 4.537 4.340 0.001 0.000 0.249 343 Q C 0.098 176.056 176.000 -0.070 0.000 0.830 343 Q CA -0.314 55.440 55.803 -0.082 0.000 1.104 343 Q CB 1.997 30.698 28.738 -0.062 0.000 1.207 343 Q HN 0.295 nan 8.270 nan 0.000 0.464 344 V N -2.110 117.754 119.914 -0.083 0.000 2.607 344 V HA 0.879 4.999 4.120 0.001 0.000 0.289 344 V C 0.342 176.416 176.094 -0.035 0.000 1.053 344 V CA -0.485 61.780 62.300 -0.060 0.000 0.996 344 V CB 1.337 33.116 31.823 -0.074 0.000 0.995 344 V HN 0.156 nan 8.190 nan 0.000 0.476 345 G N 2.652 111.443 108.800 -0.016 0.000 2.482 345 G HA2 0.605 4.566 3.960 0.001 0.000 0.317 345 G HA3 0.605 4.566 3.960 0.001 0.000 0.317 345 G C -1.099 173.810 174.900 0.015 0.000 1.241 345 G CA -1.047 44.052 45.100 -0.001 0.000 0.967 345 G HN 1.023 nan 8.290 nan 0.000 0.482 346 K N 1.230 121.645 120.400 0.025 0.000 2.339 346 K HA 0.578 4.898 4.320 0.001 0.000 0.264 346 K C -1.205 175.431 176.600 0.061 0.000 0.986 346 K CA -0.606 55.707 56.287 0.044 0.000 0.866 346 K CB 1.885 34.407 32.500 0.037 0.000 1.103 346 K HN 0.340 nan 8.250 nan 0.000 0.441 347 V N 3.418 123.389 119.914 0.096 0.000 2.513 347 V HA 0.620 4.741 4.120 0.001 0.000 0.299 347 V C -1.225 174.996 176.094 0.212 0.000 1.035 347 V CA -0.162 62.208 62.300 0.117 0.000 0.889 347 V CB 1.989 33.860 31.823 0.081 0.000 0.988 347 V HN 0.936 nan 8.190 nan 0.000 0.440 348 S N 5.732 121.545 115.700 0.188 0.000 2.569 348 S HA 0.768 5.238 4.470 0.001 0.000 0.280 348 S C -1.221 173.515 174.600 0.227 0.000 1.111 348 S CA -0.519 57.814 58.200 0.222 0.000 0.887 348 S CB 1.816 65.080 63.200 0.107 0.000 1.095 348 S HN 0.858 nan 8.310 nan 0.000 0.476 349 L N 2.770 124.151 121.223 0.264 0.000 2.365 349 L HA 0.893 5.234 4.340 0.001 0.000 0.273 349 L C -0.968 175.909 176.870 0.012 0.000 1.000 349 L CA -0.608 54.304 54.840 0.120 0.000 0.819 349 L CB 1.731 43.877 42.059 0.145 0.000 1.284 349 L HN 0.590 nan 8.230 nan 0.000 0.418 350 V N 1.950 121.845 119.914 -0.032 0.000 2.823 350 V HA 1.104 5.225 4.120 0.001 0.000 0.312 350 V C -0.505 175.541 176.094 -0.080 0.000 1.072 350 V CA 0.366 62.637 62.300 -0.048 0.000 0.937 350 V CB 1.480 33.293 31.823 -0.017 0.000 1.013 350 V HN 1.202 nan 8.190 nan 0.000 0.430 351 G N 2.140 110.891 108.800 -0.080 0.000 2.498 351 G HA2 0.650 4.611 3.960 0.001 0.000 0.301 351 G HA3 0.650 4.611 3.960 0.001 0.000 0.301 351 G C 0.191 175.055 174.900 -0.060 0.000 1.577 351 G CA 0.030 45.082 45.100 -0.080 0.000 0.868 351 G HN 1.626 nan 8.290 nan 0.000 0.599 352 A N 0.537 123.331 122.820 -0.043 0.000 2.019 352 A HA 0.201 4.522 4.320 0.001 0.000 0.219 352 A C 2.591 180.164 177.584 -0.018 0.000 1.164 352 A CA 2.709 54.731 52.037 -0.026 0.000 0.644 352 A CB -0.609 18.378 19.000 -0.021 0.000 0.805 352 A HN 1.854 nan 8.150 nan 0.000 0.449 353 G N 0.174 108.956 108.800 -0.030 0.000 2.527 353 G HA2 -0.164 3.797 3.960 0.001 0.000 0.219 353 G HA3 -0.164 3.797 3.960 0.001 0.000 0.219 353 G C 1.427 176.330 174.900 0.006 0.000 1.117 353 G CA 1.174 46.266 45.100 -0.012 0.000 0.759 353 G HN 0.782 nan 8.290 nan 0.000 0.556 354 M N -0.729 118.857 119.600 -0.023 0.000 2.441 354 M HA 0.420 4.901 4.480 0.001 0.000 0.244 354 M C 2.015 178.329 176.300 0.024 0.000 1.122 354 M CA 0.676 55.977 55.300 0.003 0.000 1.041 354 M CB 0.118 32.684 32.600 -0.055 0.000 1.438 354 M HN 0.054 nan 8.290 nan 0.000 0.484 355 K N 1.355 121.763 120.400 0.014 0.000 2.032 355 K HA -0.061 4.259 4.320 0.001 0.000 0.209 355 K C 0.730 177.344 176.600 0.023 0.000 1.048 355 K CA 1.869 58.162 56.287 0.010 0.000 0.927 355 K CB 0.056 32.558 32.500 0.003 0.000 0.712 355 K HN 0.403 nan 8.250 nan 0.000 0.441 356 S N -0.886 114.840 115.700 0.043 0.000 2.749 356 S HA 0.096 4.567 4.470 0.001 0.000 0.246 356 S C -1.101 173.525 174.600 0.043 0.000 1.023 356 S CA -0.475 57.743 58.200 0.030 0.000 1.012 356 S CB 0.358 63.565 63.200 0.012 0.000 0.942 356 S HN 0.345 nan 8.310 nan 0.000 0.531 357 H N 2.263 121.334 119.070 0.001 0.000 2.792 357 H HA 0.380 4.937 4.556 0.001 0.000 0.298 357 H C -2.907 172.434 175.328 0.022 0.000 1.042 357 H CA -1.850 54.206 56.048 0.013 0.000 1.300 357 H CB 0.734 30.507 29.762 0.018 0.000 1.431 357 H HN 0.054 nan 8.280 nan 0.000 0.496 358 P HA 0.142 nan 4.420 nan 0.000 0.268 358 P C 0.777 178.204 177.300 0.212 0.000 1.204 358 P CA 1.040 64.208 63.100 0.113 0.000 0.768 358 P CB 1.112 32.832 31.700 0.034 0.000 0.842 359 G N 1.101 109.997 108.800 0.161 0.000 2.352 359 G HA2 -0.284 3.676 3.960 0.001 0.000 0.204 359 G HA3 -0.284 3.676 3.960 0.001 0.000 0.204 359 G C 0.929 175.942 174.900 0.189 0.000 1.004 359 G CA 0.202 45.398 45.100 0.161 0.000 0.648 359 G HN 0.569 nan 8.290 nan 0.000 0.491 360 V N 0.994 121.033 119.914 0.207 0.000 2.427 360 V HA 0.002 4.122 4.120 0.001 0.000 0.248 360 V C 2.587 178.870 176.094 0.315 0.000 1.051 360 V CA 3.695 66.172 62.300 0.295 0.000 1.048 360 V CB -0.531 31.363 31.823 0.117 0.000 0.666 360 V HN 1.021 nan 8.190 nan 0.000 0.456 361 T N -0.563 114.088 114.554 0.161 0.000 2.904 361 T HA 0.019 4.369 4.350 0.001 0.000 0.267 361 T C 1.981 176.779 174.700 0.162 0.000 1.059 361 T CA 1.828 63.997 62.100 0.115 0.000 1.137 361 T CB -0.490 68.366 68.868 -0.021 0.000 0.879 361 T HN 0.864 nan 8.240 nan 0.000 0.467 362 A N 1.321 124.224 122.820 0.138 0.000 1.883 362 A HA -0.108 4.213 4.320 0.001 0.000 0.217 362 A C 2.284 179.949 177.584 0.135 0.000 1.186 362 A CA 1.945 54.051 52.037 0.116 0.000 0.624 362 A CB -0.841 18.210 19.000 0.084 0.000 0.822 362 A HN 0.704 nan 8.150 nan 0.000 0.444 363 E N -1.620 118.674 120.200 0.157 0.000 2.106 363 E HA -0.145 4.206 4.350 0.001 0.000 0.192 363 E C 1.766 178.414 176.600 0.080 0.000 0.984 363 E CA 1.019 57.442 56.400 0.038 0.000 0.806 363 E CB -0.220 29.432 29.700 -0.081 0.000 0.750 363 E HN 0.728 nan 8.360 nan 0.000 0.458 364 F N 1.056 121.129 119.950 0.205 0.000 2.051 364 F HA -0.291 4.237 4.527 0.001 0.000 0.296 364 F C 2.279 178.137 175.800 0.097 0.000 1.122 364 F CA 1.246 59.393 58.000 0.246 0.000 1.201 364 F CB 0.030 39.192 39.000 0.270 0.000 0.978 364 F HN -0.028 nan 8.300 nan 0.000 0.472 365 M N 0.444 120.323 119.600 0.464 0.000 2.108 365 M HA -0.235 4.246 4.480 0.001 0.000 0.261 365 M C 1.968 178.342 176.300 0.122 0.000 1.066 365 M CA 1.770 57.236 55.300 0.277 0.000 1.107 365 M CB -1.510 31.195 32.600 0.175 0.000 1.356 365 M HN 0.290 nan 8.290 nan 0.000 0.406 366 E N 0.299 120.543 120.200 0.073 0.000 2.204 366 E HA -0.073 4.277 4.350 0.001 0.000 0.194 366 E C 2.124 178.704 176.600 -0.033 0.000 0.989 366 E CA 1.040 57.445 56.400 0.009 0.000 0.824 366 E CB -0.169 29.524 29.700 -0.012 0.000 0.756 366 E HN 0.519 nan 8.360 nan 0.000 0.477 367 A N 0.928 123.707 122.820 -0.068 0.000 1.877 367 A HA -0.181 4.140 4.320 0.001 0.000 0.216 367 A C 2.051 179.581 177.584 -0.089 0.000 1.186 367 A CA 1.188 53.151 52.037 -0.123 0.000 0.620 367 A CB -0.381 18.495 19.000 -0.207 0.000 0.822 367 A HN 0.110 nan 8.150 nan 0.000 0.443 368 L N -0.313 120.869 121.223 -0.069 0.000 2.072 368 L HA -0.047 4.294 4.340 0.001 0.000 0.205 368 L C 2.543 179.406 176.870 -0.011 0.000 1.079 368 L CA 2.059 56.875 54.840 -0.039 0.000 0.752 368 L CB -0.910 41.147 42.059 -0.003 0.000 0.906 368 L HN 0.606 nan 8.230 nan 0.000 0.436 369 R N 0.054 120.557 120.500 0.005 0.000 2.096 369 R HA -0.209 4.131 4.340 0.001 0.000 0.240 369 R C 1.439 177.733 176.300 -0.010 0.000 1.139 369 R CA 2.158 58.261 56.100 0.005 0.000 0.952 369 R CB -0.467 29.840 30.300 0.011 0.000 0.854 369 R HN 0.269 nan 8.270 nan 0.000 0.436 370 D N -0.305 120.081 120.400 -0.022 0.000 2.371 370 D HA -0.026 4.615 4.640 0.001 0.000 0.221 370 D C 0.852 177.136 176.300 -0.027 0.000 0.986 370 D CA 0.628 54.612 54.000 -0.027 0.000 0.899 370 D CB 0.527 41.304 40.800 -0.038 0.000 0.902 370 D HN 0.147 nan 8.370 nan 0.000 0.530 371 V N 0.827 120.724 119.914 -0.028 0.000 3.319 371 V HA 0.040 4.160 4.120 0.001 0.000 0.317 371 V C 0.472 176.556 176.094 -0.017 0.000 1.411 371 V CA -0.093 62.192 62.300 -0.025 0.000 1.112 371 V CB -0.556 31.247 31.823 -0.033 0.000 1.031 371 V HN 0.118 nan 8.190 nan 0.000 0.448 372 N N 0.825 119.517 118.700 -0.012 0.000 2.735 372 N HA -0.188 4.553 4.740 0.001 0.000 0.248 372 N C -0.263 175.246 175.510 -0.003 0.000 1.083 372 N CA 1.026 54.072 53.050 -0.006 0.000 0.703 372 N CB -0.994 37.489 38.487 -0.007 0.000 1.005 372 N HN 0.599 nan 8.380 nan 0.000 0.550 373 V N -1.277 118.637 119.914 -0.001 0.000 2.472 373 V HA 0.644 4.765 4.120 0.001 0.000 0.290 373 V C 0.472 176.576 176.094 0.017 0.000 1.037 373 V CA -0.972 61.330 62.300 0.005 0.000 0.908 373 V CB 1.781 33.604 31.823 0.001 0.000 0.985 373 V HN 0.377 nan 8.190 nan 0.000 0.454 374 N N 3.976 122.686 118.700 0.016 0.000 2.455 374 N HA 0.486 5.226 4.740 0.001 0.000 0.280 374 N C -0.787 174.742 175.510 0.032 0.000 1.055 374 N CA -0.507 52.556 53.050 0.022 0.000 0.961 374 N CB 1.056 39.551 38.487 0.013 0.000 1.121 374 N HN 0.730 nan 8.380 nan 0.000 0.476 375 I N 2.999 123.595 120.570 0.044 0.000 2.352 375 I HA 0.132 4.302 4.170 0.001 0.000 0.290 375 I C 1.225 177.360 176.117 0.030 0.000 1.036 375 I CA 0.249 61.581 61.300 0.055 0.000 1.336 375 I CB 1.118 39.165 38.000 0.077 0.000 1.407 375 I HN 0.719 nan 8.210 nan 0.000 0.497 376 E N 4.178 124.391 120.200 0.022 0.000 2.201 376 E HA 0.215 4.566 4.350 0.001 0.000 0.193 376 E C -0.426 176.175 176.600 0.001 0.000 0.957 376 E CA 0.418 56.821 56.400 0.005 0.000 0.858 376 E CB 0.422 30.119 29.700 -0.006 0.000 0.816 376 E HN 0.261 nan 8.360 nan 0.000 0.475 377 L N 0.735 121.961 121.223 0.005 0.000 2.445 377 L HA 0.463 4.804 4.340 0.001 0.000 0.262 377 L C -1.483 175.385 176.870 -0.003 0.000 0.974 377 L CA -0.499 54.339 54.840 -0.002 0.000 0.822 377 L CB 2.164 44.219 42.059 -0.008 0.000 1.339 377 L HN -0.061 nan 8.230 nan 0.000 0.409 378 I N 1.480 122.039 120.570 -0.018 0.000 2.509 378 I HA 0.673 4.844 4.170 0.001 0.000 0.293 378 I C -0.437 175.651 176.117 -0.047 0.000 1.020 378 I CA -0.460 60.812 61.300 -0.046 0.000 1.088 378 I CB 2.098 40.060 38.000 -0.062 0.000 1.267 378 I HN 0.516 nan 8.210 nan 0.000 0.430 379 S N 3.367 119.028 115.700 -0.064 0.000 2.564 379 S HA 0.855 5.325 4.470 0.001 0.000 0.274 379 S C -0.812 173.742 174.600 -0.078 0.000 1.124 379 S CA -0.347 57.821 58.200 -0.052 0.000 0.869 379 S CB 1.943 65.127 63.200 -0.027 0.000 1.105 379 S HN 0.796 nan 8.310 nan 0.000 0.472 380 T N -0.111 114.404 114.554 -0.064 0.000 2.894 380 T HA 0.757 5.108 4.350 0.001 0.000 0.309 380 T C -0.248 174.422 174.700 -0.050 0.000 1.208 380 T CA -0.310 61.746 62.100 -0.072 0.000 1.016 380 T CB 1.205 70.023 68.868 -0.083 0.000 1.192 380 T HN 0.999 nan 8.240 nan 0.000 0.491 381 S N 0.463 116.134 115.700 -0.047 0.000 2.776 381 S HA 0.490 4.960 4.470 0.001 0.000 0.306 381 S C 1.003 175.580 174.600 -0.038 0.000 1.114 381 S CA -0.483 57.695 58.200 -0.036 0.000 0.973 381 S CB 1.367 64.550 63.200 -0.028 0.000 1.250 381 S HN 0.933 nan 8.310 nan 0.000 0.549 382 E N -0.250 119.932 120.200 -0.030 0.000 2.150 382 E HA -0.032 4.318 4.350 0.001 0.000 0.193 382 E C 1.111 177.694 176.600 -0.029 0.000 0.985 382 E CA 1.370 57.754 56.400 -0.026 0.000 0.814 382 E CB -0.254 29.435 29.700 -0.019 0.000 0.752 382 E HN 0.711 nan 8.360 nan 0.000 0.466 383 I N -2.349 118.203 120.570 -0.031 0.000 3.707 383 I HA 0.410 4.580 4.170 0.001 0.000 0.330 383 I C -0.210 175.879 176.117 -0.046 0.000 1.572 383 I CA -0.606 60.673 61.300 -0.036 0.000 1.104 383 I CB 0.718 38.702 38.000 -0.026 0.000 1.240 383 I HN -0.204 nan 8.210 nan 0.000 0.475 384 R N 2.226 122.694 120.500 -0.054 0.000 2.566 384 R HA 0.561 4.902 4.340 0.001 0.000 0.271 384 R C -2.073 174.171 176.300 -0.093 0.000 1.071 384 R CA -0.669 55.396 56.100 -0.058 0.000 0.915 384 R CB 3.217 33.496 30.300 -0.035 0.000 1.228 384 R HN 0.424 nan 8.270 nan 0.000 0.449 385 I N 1.121 121.613 120.570 -0.131 0.000 2.465 385 I HA 0.513 4.684 4.170 0.001 0.000 0.291 385 I C -1.311 174.686 176.117 -0.200 0.000 1.014 385 I CA 0.186 61.330 61.300 -0.260 0.000 1.093 385 I CB 2.305 40.000 38.000 -0.509 0.000 1.267 385 I HN 0.400 nan 8.210 nan 0.000 0.431 386 S N 5.080 120.685 115.700 -0.158 0.000 2.526 386 S HA 0.845 5.315 4.470 0.001 0.000 0.293 386 S C -1.096 173.487 174.600 -0.030 0.000 1.092 386 S CA -0.610 57.574 58.200 -0.026 0.000 0.980 386 S CB 2.050 65.249 63.200 -0.002 0.000 1.048 386 S HN 0.549 nan 8.310 nan 0.000 0.483 387 V N 3.310 123.279 119.914 0.091 0.000 2.760 387 V HA 0.484 4.605 4.120 0.001 0.000 0.309 387 V C -0.963 175.184 176.094 0.089 0.000 1.077 387 V CA -0.708 61.652 62.300 0.101 0.000 0.910 387 V CB 1.905 33.876 31.823 0.247 0.000 1.008 387 V HN 0.742 nan 8.190 nan 0.000 0.424 388 L N 6.088 127.340 121.223 0.049 0.000 2.307 388 L HA 0.731 5.072 4.340 0.001 0.000 0.282 388 L C -0.250 176.638 176.870 0.031 0.000 1.051 388 L CA -0.361 54.496 54.840 0.030 0.000 0.804 388 L CB 1.316 43.376 42.059 0.001 0.000 1.197 388 L HN 0.664 nan 8.230 nan 0.000 0.431 389 I N -1.248 119.335 120.570 0.022 0.000 3.352 389 I HA 0.549 4.720 4.170 0.001 0.000 0.316 389 I C -0.833 175.283 176.117 -0.002 0.000 1.214 389 I CA -1.399 59.910 61.300 0.016 0.000 0.934 389 I CB 1.667 39.685 38.000 0.030 0.000 1.310 389 I HN 0.321 nan 8.210 nan 0.000 0.475 390 R N 2.078 122.575 120.500 -0.006 0.000 2.522 390 R HA 0.067 4.407 4.340 0.001 0.000 0.284 390 R C 1.034 177.327 176.300 -0.012 0.000 1.032 390 R CA 0.324 56.416 56.100 -0.015 0.000 1.049 390 R CB -0.039 30.252 30.300 -0.014 0.000 0.956 390 R HN 0.897 nan 8.270 nan 0.000 0.422 391 E N 1.737 121.927 120.200 -0.017 0.000 2.160 391 E HA -0.249 4.101 4.350 0.001 0.000 0.195 391 E C 0.080 176.673 176.600 -0.012 0.000 0.991 391 E CA 1.591 57.983 56.400 -0.013 0.000 0.810 391 E CB -0.052 29.638 29.700 -0.017 0.000 0.742 391 E HN 0.495 nan 8.360 nan 0.000 0.466 392 D N 1.425 121.817 120.400 -0.013 0.000 2.203 392 D HA -0.193 4.448 4.640 0.001 0.000 0.199 392 D C 0.921 177.214 176.300 -0.011 0.000 0.997 392 D CA 1.382 55.375 54.000 -0.012 0.000 0.863 392 D CB -0.323 40.470 40.800 -0.011 0.000 0.928 392 D HN 0.271 nan 8.370 nan 0.000 0.458 393 D N -0.974 119.420 120.400 -0.010 0.000 2.395 393 D HA 0.071 4.712 4.640 0.001 0.000 0.213 393 D C 1.659 177.953 176.300 -0.010 0.000 1.110 393 D CA -0.295 53.699 54.000 -0.010 0.000 0.835 393 D CB 0.406 41.202 40.800 -0.007 0.000 0.965 393 D HN 0.012 nan 8.370 nan 0.000 0.505 394 L N 0.908 122.125 121.223 -0.009 0.000 2.056 394 L HA -0.077 4.263 4.340 0.001 0.000 0.207 394 L C 1.441 178.303 176.870 -0.013 0.000 1.078 394 L CA 1.758 56.594 54.840 -0.006 0.000 0.749 394 L CB -0.224 41.833 42.059 -0.003 0.000 0.901 394 L HN -0.099 nan 8.230 nan 0.000 0.433 395 D N -0.515 119.875 120.400 -0.017 0.000 2.097 395 D HA -0.117 4.523 4.640 0.001 0.000 0.197 395 D C 2.195 178.480 176.300 -0.026 0.000 0.984 395 D CA 1.486 55.472 54.000 -0.023 0.000 0.826 395 D CB -0.203 40.582 40.800 -0.025 0.000 0.973 395 D HN 0.362 nan 8.370 nan 0.000 0.460 396 A N 1.328 124.134 122.820 -0.024 0.000 1.908 396 A HA -0.113 4.208 4.320 0.001 0.000 0.218 396 A C 2.341 179.907 177.584 -0.032 0.000 1.181 396 A CA 2.526 54.548 52.037 -0.025 0.000 0.627 396 A CB -0.838 18.148 19.000 -0.022 0.000 0.818 396 A HN 0.242 nan 8.150 nan 0.000 0.445 397 A N -0.125 122.675 122.820 -0.033 0.000 1.883 397 A HA 0.084 4.405 4.320 0.001 0.000 0.217 397 A C 2.546 180.095 177.584 -0.059 0.000 1.186 397 A CA 2.452 54.459 52.037 -0.051 0.000 0.624 397 A CB -1.145 17.832 19.000 -0.037 0.000 0.822 397 A HN 1.144 nan 8.150 nan 0.000 0.444 398 A N -0.617 122.183 122.820 -0.033 0.000 1.877 398 A HA -0.170 4.151 4.320 0.001 0.000 0.216 398 A C 2.229 179.817 177.584 0.008 0.000 1.186 398 A CA 1.914 53.943 52.037 -0.014 0.000 0.620 398 A CB -0.456 18.536 19.000 -0.013 0.000 0.822 398 A HN 0.493 nan 8.150 nan 0.000 0.443 399 R N -0.510 119.985 120.500 -0.009 0.000 2.083 399 R HA -0.080 4.260 4.340 0.001 0.000 0.237 399 R C 2.429 178.747 176.300 0.030 0.000 1.137 399 R CA 1.567 57.672 56.100 0.008 0.000 0.951 399 R CB -0.509 29.782 30.300 -0.016 0.000 0.851 399 R HN 0.515 nan 8.270 nan 0.000 0.434 400 A N 0.251 123.062 122.820 -0.016 0.000 1.902 400 A HA -0.133 4.187 4.320 0.001 0.000 0.217 400 A C 1.867 179.416 177.584 -0.059 0.000 1.181 400 A CA 1.125 53.136 52.037 -0.044 0.000 0.623 400 A CB -0.442 18.516 19.000 -0.069 0.000 0.818 400 A HN 0.141 nan 8.150 nan 0.000 0.443 401 L N -0.831 120.357 121.223 -0.059 0.000 2.046 401 L HA -0.147 4.194 4.340 0.001 0.000 0.208 401 L C 2.328 179.274 176.870 0.127 0.000 1.077 401 L CA 2.376 57.202 54.840 -0.024 0.000 0.747 401 L CB -1.527 40.478 42.059 -0.090 0.000 0.896 401 L HN 0.686 nan 8.230 nan 0.000 0.432 402 H N -0.791 118.298 119.070 0.031 0.000 2.423 402 H HA -0.150 4.407 4.556 0.002 0.000 0.297 402 H C 2.268 177.618 175.328 0.036 0.000 1.075 402 H CA 1.820 57.902 56.048 0.056 0.000 1.342 402 H CB 0.329 30.108 29.762 0.029 0.000 1.395 402 H HN 0.445 nan 8.280 nan 0.000 0.530 403 E N -0.721 119.520 120.200 0.068 0.000 2.170 403 E HA -0.169 4.181 4.350 0.001 0.000 0.191 403 E C 2.113 178.654 176.600 -0.097 0.000 0.981 403 E CA 0.569 56.966 56.400 -0.005 0.000 0.830 403 E CB 0.152 29.858 29.700 0.009 0.000 0.775 403 E HN 0.428 nan 8.360 nan 0.000 0.470 404 Q N -0.019 119.678 119.800 -0.170 0.000 2.016 404 Q HA -0.070 4.271 4.340 0.001 0.000 0.200 404 Q C -0.331 175.396 176.000 -0.455 0.000 0.978 404 Q CA 1.231 56.817 55.803 -0.363 0.000 0.833 404 Q CB -0.099 28.305 28.738 -0.556 0.000 0.895 404 Q HN 0.121 nan 8.270 nan 0.000 0.427 405 F N 1.749 121.641 119.950 -0.096 0.000 2.424 405 F HA 0.268 4.796 4.527 0.001 0.000 0.356 405 F C 0.496 176.198 175.800 -0.164 0.000 1.110 405 F CA -0.550 57.384 58.000 -0.110 0.000 1.161 405 F CB 0.836 39.778 39.000 -0.097 0.000 1.115 405 F HN 0.020 nan 8.300 nan 0.000 0.507 406 Q N 4.729 124.526 119.800 -0.005 0.000 3.223 406 Q HA 0.175 4.515 4.340 0.001 0.000 0.299 406 Q C -0.128 175.793 176.000 -0.133 0.000 1.385 406 Q CA 0.031 55.788 55.803 -0.076 0.000 0.942 406 Q CB -0.208 28.503 28.738 -0.044 0.000 1.748 406 Q HN 0.654 nan 8.270 nan 0.000 0.523 407 L N -0.384 120.647 121.223 -0.320 0.000 2.453 407 L HA 0.331 4.671 4.340 0.001 0.000 0.261 407 L C 1.205 177.930 176.870 -0.243 0.000 1.179 407 L CA 0.251 54.858 54.840 -0.388 0.000 0.813 407 L CB 0.319 42.007 42.059 -0.620 0.000 1.110 407 L HN 0.606 nan 8.230 nan 0.000 0.466 408 G N 0.000 108.792 108.800 -0.013 0.000 5.446 408 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 408 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 408 G CA 0.000 45.153 45.100 0.089 0.000 0.502 408 G HN 0.000 nan 8.290 nan 0.000 0.925