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_A DATA FIRST_RESID 2 DATA SEQUENCE ALVVQKYGGS SLESAERIRN VAERIVATKK AGNDVVVVCS AMGDTTDELL DATA SEQUENCE ELAAAVNPVP PAREMDMLLT AGERISNALV AMAIESLGAE AQSFTGSXXX DATA SEQUENCE XXXXXXXXXX XXXXVTPGRV REALDEGKIC IVXXXXXXXX XXXXXXXXXX DATA SEQUENCE GGSDTTAVAL AAALNADVCE IYSDVDGVYT ADPRIVPNAQ KLEKLSFEEM DATA SEQUENCE LELAAVGSKI LVLRSVEYAR AFNVPLRVRS SYSNDPGTLI AGSMEDIPVE DATA SEQUENCE EAVLTGVATD KSEAKVTVLG ISDKPGEAAK VFRALADAEI NIDMVLQNVF DATA SEQUENCE SXXDGTTDIT 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 0.000 177.596 177.584 0.020 0.000 1.274 2 A CA 0.000 52.047 52.037 0.017 0.000 0.836 2 A CB 0.000 19.011 19.000 0.018 0.000 0.831 3 L N 1.964 123.198 121.223 0.018 0.000 2.317 3 L HA 0.910 5.250 4.340 -0.000 0.000 0.281 3 L C -0.830 176.055 176.870 0.024 0.000 1.024 3 L CA -0.622 54.229 54.840 0.019 0.000 0.810 3 L CB 1.743 43.809 42.059 0.011 0.000 1.240 3 L HN 0.866 nan 8.230 nan 0.000 0.427 4 V N 6.408 126.341 119.914 0.032 0.000 2.567 4 V HA 0.558 4.678 4.120 -0.000 0.000 0.298 4 V C -1.169 174.952 176.094 0.046 0.000 1.047 4 V CA -0.422 61.902 62.300 0.040 0.000 0.880 4 V CB 2.140 33.995 31.823 0.053 0.000 1.009 4 V HN 0.588 nan 8.190 nan 0.000 0.429 5 V N 7.173 127.109 119.914 0.036 0.000 2.509 5 V HA 0.534 4.654 4.120 -0.000 0.000 0.284 5 V C -0.055 176.062 176.094 0.038 0.000 1.047 5 V CA -0.338 61.984 62.300 0.036 0.000 0.952 5 V CB 1.507 33.342 31.823 0.021 0.000 0.988 5 V HN 0.934 nan 8.190 nan 0.000 0.469 6 Q N 3.629 123.459 119.800 0.050 0.000 2.310 6 Q HA 0.421 4.761 4.340 -0.000 0.000 0.270 6 Q C -0.760 175.202 176.000 -0.064 0.000 1.025 6 Q CA -0.701 55.103 55.803 0.002 0.000 0.772 6 Q CB 2.679 31.457 28.738 0.067 0.000 1.253 6 Q HN 0.513 nan 8.270 nan 0.000 0.450 7 K N 3.135 123.460 120.400 -0.125 0.000 2.240 7 K HA 0.286 4.606 4.320 -0.000 0.000 0.271 7 K C -1.610 174.883 176.600 -0.179 0.000 1.018 7 K CA -0.443 55.800 56.287 -0.072 0.000 0.874 7 K CB 0.655 33.144 32.500 -0.018 0.000 1.098 7 K HN 0.555 nan 8.250 nan 0.000 0.458 8 Y N 1.350 121.727 120.300 0.129 0.000 2.335 8 Y HA 0.313 4.863 4.550 -0.000 0.000 0.339 8 Y C 1.164 177.121 175.900 0.096 0.000 0.987 8 Y CA -0.251 57.921 58.100 0.121 0.000 1.140 8 Y CB 1.640 40.123 38.460 0.038 0.000 1.173 8 Y HN 0.737 nan 8.280 nan 0.000 0.486 9 G N 1.037 109.974 108.800 0.229 0.000 2.683 9 G HA2 0.290 4.250 3.960 -0.000 0.000 0.260 9 G HA3 0.290 4.250 3.960 -0.000 0.000 0.260 9 G C 1.091 176.087 174.900 0.159 0.000 1.238 9 G CA -0.159 45.038 45.100 0.161 0.000 0.934 9 G HN 0.864 nan 8.290 nan 0.000 0.534 10 G N -0.733 108.138 108.800 0.118 0.000 2.448 10 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.218 10 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.218 10 G C 2.048 177.017 174.900 0.115 0.000 1.135 10 G CA 1.549 46.708 45.100 0.099 0.000 0.784 10 G HN 0.823 nan 8.290 nan 0.000 0.543 11 S N 0.774 116.558 115.700 0.139 0.000 2.402 11 S HA -0.064 4.406 4.470 -0.000 0.000 0.229 11 S C 2.298 177.075 174.600 0.295 0.000 1.021 11 S CA 1.445 59.755 58.200 0.182 0.000 0.974 11 S CB -0.269 63.026 63.200 0.159 0.000 0.800 11 S HN 0.190 nan 8.310 nan 0.000 0.484 12 S N 1.435 117.293 115.700 0.263 0.000 2.481 12 S HA 0.268 4.738 4.470 -0.000 0.000 0.231 12 S C 0.915 175.539 174.600 0.040 0.000 0.996 12 S CA 0.565 58.879 58.200 0.190 0.000 0.942 12 S CB -0.285 63.078 63.200 0.271 0.000 0.768 12 S HN 0.495 nan 8.310 nan 0.000 0.520 13 L N 1.233 122.497 121.223 0.069 0.000 3.288 13 L HA 0.276 4.616 4.340 -0.000 0.000 0.293 13 L C 1.539 178.429 176.870 0.033 0.000 1.294 13 L CA -0.099 54.748 54.840 0.011 0.000 1.006 13 L CB 0.098 42.164 42.059 0.012 0.000 1.407 13 L HN 0.239 nan 8.230 nan 0.000 0.592 14 E N 0.502 120.742 120.200 0.068 0.000 2.418 14 E HA -0.027 4.323 4.350 -0.000 0.000 0.197 14 E C 0.585 177.210 176.600 0.042 0.000 1.026 14 E CA 0.679 57.118 56.400 0.065 0.000 0.862 14 E CB 0.362 30.118 29.700 0.093 0.000 0.799 14 E HN 0.413 nan 8.360 nan 0.000 0.518 15 S N -1.872 113.844 115.700 0.026 0.000 2.625 15 S HA 0.618 5.088 4.470 -0.000 0.000 0.271 15 S C 0.759 175.351 174.600 -0.013 0.000 1.161 15 S CA -0.438 57.769 58.200 0.011 0.000 0.820 15 S CB 1.234 64.447 63.200 0.022 0.000 1.137 15 S HN 0.057 nan 8.310 nan 0.000 0.470 16 A N 1.049 123.860 122.820 -0.015 0.000 1.892 16 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 16 A C 1.988 179.547 177.584 -0.041 0.000 1.188 16 A CA 2.273 54.293 52.037 -0.028 0.000 0.631 16 A CB -1.526 17.461 19.000 -0.021 0.000 0.822 16 A HN 1.009 nan 8.150 nan 0.000 0.447 17 E N -0.856 119.325 120.200 -0.031 0.000 2.049 17 E HA -0.276 4.074 4.350 -0.000 0.000 0.198 17 E C 2.221 178.777 176.600 -0.074 0.000 1.007 17 E CA 1.463 57.839 56.400 -0.040 0.000 0.809 17 E CB -0.067 29.622 29.700 -0.019 0.000 0.749 17 E HN 0.381 nan 8.360 nan 0.000 0.450 18 R N 0.266 120.720 120.500 -0.076 0.000 2.115 18 R HA -0.056 4.284 4.340 -0.000 0.000 0.230 18 R C 2.407 178.604 176.300 -0.172 0.000 1.111 18 R CA 0.823 56.836 56.100 -0.144 0.000 0.976 18 R CB -0.765 29.469 30.300 -0.109 0.000 0.870 18 R HN 0.416 nan 8.270 nan 0.000 0.445 19 I N 0.645 121.139 120.570 -0.127 0.000 2.179 19 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 19 I C 2.497 178.517 176.117 -0.162 0.000 1.088 19 I CA 1.355 62.567 61.300 -0.146 0.000 1.357 19 I CB -0.270 37.674 38.000 -0.094 0.000 1.051 19 I HN 0.129 nan 8.210 nan 0.000 0.409 20 R N 0.483 120.910 120.500 -0.121 0.000 2.091 20 R HA -0.193 4.147 4.340 -0.000 0.000 0.238 20 R C 2.189 178.407 176.300 -0.138 0.000 1.136 20 R CA 1.540 57.573 56.100 -0.111 0.000 0.959 20 R CB -0.623 29.630 30.300 -0.078 0.000 0.856 20 R HN 0.442 nan 8.270 nan 0.000 0.437 21 N N 0.919 119.527 118.700 -0.154 0.000 2.223 21 N HA -0.117 4.623 4.740 -0.000 0.000 0.185 21 N C 1.662 177.032 175.510 -0.234 0.000 1.016 21 N CA 1.046 53.993 53.050 -0.172 0.000 0.863 21 N CB 0.178 38.556 38.487 -0.181 0.000 0.983 21 N HN 0.019 nan 8.380 nan 0.000 0.429 22 V N 1.518 121.243 119.914 -0.316 0.000 2.379 22 V HA -0.132 3.988 4.120 -0.000 0.000 0.245 22 V C 2.626 178.476 176.094 -0.407 0.000 1.044 22 V CA 1.610 63.614 62.300 -0.493 0.000 1.036 22 V CB -0.980 30.396 31.823 -0.746 0.000 0.664 22 V HN 0.362 nan 8.190 nan 0.000 0.453 23 A N -0.384 122.267 122.820 -0.283 0.000 1.892 23 A HA -0.299 4.021 4.320 -0.000 0.000 0.218 23 A C 2.319 179.824 177.584 -0.132 0.000 1.188 23 A CA 2.111 54.038 52.037 -0.183 0.000 0.631 23 A CB -0.562 18.360 19.000 -0.129 0.000 0.822 23 A HN 0.515 nan 8.150 nan 0.000 0.447 24 E N -0.084 120.042 120.200 -0.123 0.000 2.085 24 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 24 E C 2.249 178.802 176.600 -0.078 0.000 0.994 24 E CA 1.373 57.722 56.400 -0.085 0.000 0.801 24 E CB -0.276 29.378 29.700 -0.077 0.000 0.743 24 E HN 0.646 nan 8.360 nan 0.000 0.453 25 R N 0.138 120.570 120.500 -0.114 0.000 2.092 25 R HA -0.081 4.259 4.340 -0.000 0.000 0.231 25 R C 2.595 178.873 176.300 -0.037 0.000 1.119 25 R CA 1.130 57.180 56.100 -0.084 0.000 0.970 25 R CB -0.189 30.022 30.300 -0.147 0.000 0.864 25 R HN 0.179 nan 8.270 nan 0.000 0.440 26 I N 0.071 120.605 120.570 -0.059 0.000 2.113 26 I HA -0.263 3.907 4.170 -0.000 0.000 0.238 26 I C 2.218 178.341 176.117 0.009 0.000 1.070 26 I CA 1.114 62.417 61.300 0.005 0.000 1.332 26 I CB -0.209 37.777 38.000 -0.023 0.000 1.044 26 I HN 0.008 nan 8.210 nan 0.000 0.402 27 V N 1.075 120.979 119.914 -0.016 0.000 2.490 27 V HA -0.282 3.838 4.120 -0.000 0.000 0.250 27 V C 2.639 178.733 176.094 0.001 0.000 1.061 27 V CA 1.869 64.165 62.300 -0.008 0.000 1.064 27 V CB -1.084 30.727 31.823 -0.020 0.000 0.670 27 V HN 0.502 nan 8.190 nan 0.000 0.461 28 A N -0.056 122.763 122.820 -0.002 0.000 1.930 28 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 28 A C 2.390 179.988 177.584 0.023 0.000 1.175 28 A CA 2.263 54.304 52.037 0.008 0.000 0.627 28 A CB -0.864 18.139 19.000 0.004 0.000 0.815 28 A HN 0.500 nan 8.150 nan 0.000 0.443 29 T N -0.393 114.182 114.554 0.035 0.000 2.833 29 T HA -0.118 4.232 4.350 -0.000 0.000 0.269 29 T C 1.935 176.660 174.700 0.042 0.000 1.054 29 T CA 1.547 63.678 62.100 0.051 0.000 1.135 29 T CB -0.094 68.820 68.868 0.078 0.000 0.869 29 T HN 0.559 nan 8.240 nan 0.000 0.466 30 K N 1.417 121.837 120.400 0.034 0.000 2.007 30 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 30 K C 2.829 179.442 176.600 0.022 0.000 1.047 30 K CA 1.500 57.804 56.287 0.029 0.000 0.937 30 K CB -0.320 32.196 32.500 0.026 0.000 0.718 30 K HN 0.263 nan 8.250 nan 0.000 0.438 31 K N 0.579 120.990 120.400 0.018 0.000 2.218 31 K HA -0.087 4.233 4.320 -0.000 0.000 0.205 31 K C 1.772 178.382 176.600 0.016 0.000 1.046 31 K CA 1.751 58.046 56.287 0.014 0.000 0.933 31 K CB -1.054 31.452 32.500 0.010 0.000 0.728 31 K HN 0.442 nan 8.250 nan 0.000 0.454 32 A N -0.639 122.193 122.820 0.020 0.000 2.261 32 A HA 0.452 4.772 4.320 -0.000 0.000 0.208 32 A C 1.930 179.526 177.584 0.020 0.000 1.223 32 A CA 1.062 53.112 52.037 0.021 0.000 0.833 32 A CB -0.860 18.155 19.000 0.026 0.000 0.830 32 A HN 1.653 nan 8.150 nan 0.000 0.483 33 G N -1.090 107.721 108.800 0.019 0.000 2.159 33 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.227 33 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.227 33 G C -0.150 174.762 174.900 0.020 0.000 0.986 33 G CA -0.016 45.095 45.100 0.018 0.000 0.651 33 G HN 0.497 nan 8.290 nan 0.000 0.523 34 N N 1.251 119.966 118.700 0.025 0.000 2.456 34 N HA 0.433 5.173 4.740 -0.000 0.000 0.296 34 N C -1.118 174.409 175.510 0.028 0.000 1.102 34 N CA -0.460 52.606 53.050 0.027 0.000 0.924 34 N CB 1.168 39.676 38.487 0.034 0.000 1.186 34 N HN 0.162 nan 8.380 nan 0.000 0.492 35 D N 0.953 121.369 120.400 0.027 0.000 2.256 35 D HA 0.223 4.863 4.640 -0.000 0.000 0.250 35 D C 0.140 176.461 176.300 0.035 0.000 1.093 35 D CA -0.215 53.802 54.000 0.028 0.000 0.882 35 D CB 1.677 42.490 40.800 0.022 0.000 1.185 35 D HN 0.217 nan 8.370 nan 0.000 0.437 36 V N -0.131 119.809 119.914 0.043 0.000 2.588 36 V HA 0.634 4.754 4.120 -0.000 0.000 0.304 36 V C -0.568 175.562 176.094 0.060 0.000 1.042 36 V CA -0.855 61.479 62.300 0.056 0.000 0.877 36 V CB 1.819 33.683 31.823 0.069 0.000 0.996 36 V HN 0.279 nan 8.190 nan 0.000 0.425 37 V N 6.412 126.360 119.914 0.058 0.000 2.495 37 V HA 0.863 4.983 4.120 -0.000 0.000 0.298 37 V C -0.456 175.688 176.094 0.084 0.000 1.031 37 V CA 0.094 62.430 62.300 0.060 0.000 0.871 37 V CB 1.880 33.714 31.823 0.019 0.000 0.988 37 V HN 1.687 nan 8.190 nan 0.000 0.432 38 V N 7.109 127.088 119.914 0.108 0.000 2.680 38 V HA 0.843 4.963 4.120 -0.000 0.000 0.309 38 V C -1.179 174.996 176.094 0.135 0.000 1.052 38 V CA -0.225 62.164 62.300 0.148 0.000 0.908 38 V CB 2.113 34.061 31.823 0.208 0.000 1.001 38 V HN 0.782 nan 8.190 nan 0.000 0.431 39 V N 5.093 125.090 119.914 0.138 0.000 2.540 39 V HA 0.558 4.678 4.120 -0.000 0.000 0.302 39 V C -0.248 175.936 176.094 0.149 0.000 1.035 39 V CA -0.361 62.007 62.300 0.114 0.000 0.873 39 V CB 1.509 33.375 31.823 0.072 0.000 0.992 39 V HN 1.100 nan 8.190 nan 0.000 0.428 40 C N 3.140 122.516 119.300 0.128 0.000 2.408 40 C HA 0.651 5.111 4.460 -0.000 0.000 0.321 40 C C 0.923 175.971 174.990 0.097 0.000 1.245 40 C CA -0.559 58.540 59.018 0.134 0.000 1.523 40 C CB 1.234 29.037 27.740 0.105 0.000 2.178 40 C HN 0.921 nan 8.230 nan 0.000 0.488 41 S N 1.359 117.119 115.700 0.101 0.000 2.634 41 S HA 0.579 5.049 4.470 -0.000 0.000 0.261 41 S C 0.522 175.161 174.600 0.064 0.000 1.271 41 S CA -0.413 57.832 58.200 0.075 0.000 0.985 41 S CB 0.550 63.796 63.200 0.078 0.000 0.968 41 S HN 1.008 nan 8.310 nan 0.000 0.568 42 A N 1.017 123.868 122.820 0.051 0.000 2.313 42 A HA 0.448 4.768 4.320 -0.000 0.000 0.261 42 A C 0.218 177.829 177.584 0.045 0.000 1.090 42 A CA -0.384 51.678 52.037 0.041 0.000 0.807 42 A CB -0.188 18.832 19.000 0.033 0.000 1.055 42 A HN 0.781 nan 8.150 nan 0.000 0.492 43 M N 2.025 121.647 119.600 0.036 0.000 2.268 43 M HA 0.306 4.786 4.480 -0.000 0.000 0.349 43 M C 1.421 177.745 176.300 0.041 0.000 1.485 43 M CA 1.439 56.761 55.300 0.037 0.000 1.094 43 M CB -0.441 32.174 32.600 0.025 0.000 1.843 43 M HN 1.286 nan 8.290 nan 0.000 0.460 44 G N 3.482 112.314 108.800 0.054 0.000 2.622 44 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.307 44 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.307 44 G C -0.010 174.915 174.900 0.043 0.000 1.226 44 G CA 0.296 45.427 45.100 0.052 0.000 0.997 44 G HN 0.761 nan 8.290 nan 0.000 0.551 45 D N 1.064 121.484 120.400 0.033 0.000 2.706 45 D HA 0.316 4.956 4.640 -0.000 0.000 0.236 45 D C 1.788 178.103 176.300 0.024 0.000 1.231 45 D CA 0.743 54.760 54.000 0.027 0.000 0.828 45 D CB 0.045 40.858 40.800 0.022 0.000 1.015 45 D HN 0.327 nan 8.370 nan 0.000 0.484 46 T N 0.081 114.650 114.554 0.026 0.000 2.777 46 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 46 T C 2.285 176.997 174.700 0.021 0.000 1.040 46 T CA 1.811 63.924 62.100 0.022 0.000 1.141 46 T CB 0.032 68.914 68.868 0.023 0.000 0.868 46 T HN 0.393 nan 8.240 nan 0.000 0.444 47 T N 1.058 115.626 114.554 0.024 0.000 2.708 47 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 47 T C 1.609 176.320 174.700 0.019 0.000 1.037 47 T CA 1.355 63.468 62.100 0.022 0.000 1.146 47 T CB -0.622 68.260 68.868 0.024 0.000 0.865 47 T HN 0.194 nan 8.240 nan 0.000 0.435 48 D N 1.590 122.001 120.400 0.019 0.000 2.116 48 D HA -0.111 4.529 4.640 -0.000 0.000 0.193 48 D C 2.254 178.563 176.300 0.015 0.000 0.998 48 D CA 1.466 55.475 54.000 0.016 0.000 0.836 48 D CB -0.365 40.445 40.800 0.016 0.000 0.951 48 D HN 0.632 nan 8.370 nan 0.000 0.449 49 E N -0.126 120.083 120.200 0.015 0.000 2.058 49 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 49 E C 2.148 178.755 176.600 0.013 0.000 0.997 49 E CA 0.495 56.903 56.400 0.013 0.000 0.801 49 E CB -0.048 29.660 29.700 0.013 0.000 0.746 49 E HN 0.100 nan 8.360 nan 0.000 0.450 50 L N 0.552 121.783 121.223 0.014 0.000 2.046 50 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 50 L C 2.221 179.099 176.870 0.013 0.000 1.077 50 L CA 1.504 56.352 54.840 0.013 0.000 0.747 50 L CB -0.609 41.459 42.059 0.014 0.000 0.896 50 L HN 0.177 nan 8.230 nan 0.000 0.432 51 L N -0.961 120.270 121.223 0.013 0.000 2.046 51 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 51 L C 2.549 179.426 176.870 0.012 0.000 1.077 51 L CA 1.528 56.376 54.840 0.013 0.000 0.747 51 L CB -0.534 41.533 42.059 0.013 0.000 0.896 51 L HN 0.400 nan 8.230 nan 0.000 0.432 52 E N 0.723 120.930 120.200 0.012 0.000 2.085 52 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 52 E C 2.349 178.955 176.600 0.010 0.000 0.994 52 E CA 1.226 57.632 56.400 0.011 0.000 0.801 52 E CB -0.082 29.624 29.700 0.010 0.000 0.743 52 E HN 0.446 nan 8.360 nan 0.000 0.453 53 L N 0.377 121.606 121.223 0.010 0.000 2.093 53 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 53 L C 2.685 179.561 176.870 0.009 0.000 1.085 53 L CA 0.977 55.822 54.840 0.009 0.000 0.755 53 L CB -0.432 41.632 42.059 0.009 0.000 0.904 53 L HN 0.268 nan 8.230 nan 0.000 0.435 54 A N 0.041 122.867 122.820 0.010 0.000 1.865 54 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 54 A C 2.440 180.029 177.584 0.009 0.000 1.191 54 A CA 1.832 53.875 52.037 0.010 0.000 0.623 54 A CB -0.818 18.189 19.000 0.010 0.000 0.826 54 A HN 0.403 nan 8.150 nan 0.000 0.444 55 A N -0.695 122.131 122.820 0.010 0.000 2.121 55 A HA 0.285 4.605 4.320 -0.000 0.000 0.218 55 A C 2.264 179.854 177.584 0.009 0.000 1.154 55 A CA 1.676 53.719 52.037 0.010 0.000 0.679 55 A CB -0.652 18.354 19.000 0.010 0.000 0.795 55 A HN 0.996 nan 8.150 nan 0.000 0.458 56 A N -1.038 121.787 122.820 0.008 0.000 2.021 56 A HA 0.213 4.533 4.320 -0.000 0.000 0.216 56 A C 1.941 179.529 177.584 0.007 0.000 1.163 56 A CA 1.425 53.466 52.037 0.007 0.000 0.676 56 A CB -0.229 18.775 19.000 0.007 0.000 0.818 56 A HN 0.327 nan 8.150 nan 0.000 0.453 57 V N -0.562 119.357 119.914 0.007 0.000 3.125 57 V HA 0.116 4.236 4.120 -0.000 0.000 0.249 57 V C 0.605 176.703 176.094 0.007 0.000 1.113 57 V CA 1.249 63.553 62.300 0.007 0.000 1.106 57 V CB -0.468 31.359 31.823 0.007 0.000 0.768 57 V HN 0.753 nan 8.190 nan 0.000 0.468 58 N N 0.170 118.874 118.700 0.007 0.000 3.357 58 N HA 0.180 4.920 4.740 -0.000 0.000 0.206 58 N C -3.161 172.354 175.510 0.008 0.000 1.458 58 N CA -0.776 52.279 53.050 0.007 0.000 0.776 58 N CB 1.575 40.066 38.487 0.007 0.000 1.626 58 N HN -0.016 nan 8.380 nan 0.000 0.644 59 P HA 0.112 nan 4.420 nan 0.000 0.268 59 P C 0.317 177.623 177.300 0.009 0.000 1.208 59 P CA 0.367 63.473 63.100 0.009 0.000 0.777 59 P CB 0.679 32.384 31.700 0.009 0.000 0.875 60 V N 0.816 120.736 119.914 0.010 0.000 5.726 60 V HA -0.183 3.937 4.120 -0.000 0.000 0.260 60 V C -1.764 174.336 176.094 0.010 0.000 0.657 60 V CA 0.242 62.548 62.300 0.010 0.000 0.584 60 V CB -2.314 29.515 31.823 0.010 0.000 0.241 60 V HN 0.383 nan 8.190 nan 0.000 0.652 61 P HA 0.561 nan 4.420 nan 0.000 0.276 61 P C -2.337 174.968 177.300 0.010 0.000 1.244 61 P CA -1.267 61.839 63.100 0.009 0.000 0.801 61 P CB 0.288 31.994 31.700 0.009 0.000 1.006 62 P HA 0.095 nan 4.420 nan 0.000 0.269 62 P C 0.617 177.923 177.300 0.010 0.000 1.215 62 P CA -0.090 63.016 63.100 0.010 0.000 0.780 62 P CB 0.206 31.911 31.700 0.009 0.000 0.898 63 A N 3.103 125.929 122.820 0.011 0.000 2.014 63 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 63 A C 1.822 179.413 177.584 0.012 0.000 1.163 63 A CA 0.911 52.955 52.037 0.012 0.000 0.652 63 A CB -0.636 18.372 19.000 0.012 0.000 0.808 63 A HN 0.649 nan 8.150 nan 0.000 0.449 64 R N -0.720 119.786 120.500 0.012 0.000 2.313 64 R HA 0.058 4.398 4.340 -0.000 0.000 0.199 64 R C 0.206 176.513 176.300 0.011 0.000 0.958 64 R CA 1.003 57.110 56.100 0.012 0.000 1.047 64 R CB -0.027 30.279 30.300 0.011 0.000 0.955 64 R HN 0.358 nan 8.270 nan 0.000 0.481 65 E N 0.290 120.497 120.200 0.011 0.000 2.340 65 E HA 0.112 4.462 4.350 -0.000 0.000 0.198 65 E C 1.883 178.489 176.600 0.011 0.000 0.961 65 E CA 0.181 56.587 56.400 0.010 0.000 0.905 65 E CB 0.044 29.749 29.700 0.009 0.000 0.884 65 E HN 0.208 nan 8.360 nan 0.000 0.491 66 M N 1.107 120.714 119.600 0.012 0.000 2.236 66 M HA -0.098 4.382 4.480 -0.000 0.000 0.266 66 M C 2.043 178.351 176.300 0.014 0.000 1.070 66 M CA 1.739 57.046 55.300 0.012 0.000 1.137 66 M CB -0.960 31.647 32.600 0.012 0.000 1.378 66 M HN 0.181 nan 8.290 nan 0.000 0.426 67 D N -0.121 120.288 120.400 0.014 0.000 2.144 67 D HA -0.200 4.440 4.640 -0.000 0.000 0.199 67 D C 1.904 178.213 176.300 0.016 0.000 0.984 67 D CA 1.723 55.733 54.000 0.016 0.000 0.834 67 D CB -0.503 40.306 40.800 0.016 0.000 0.955 67 D HN 0.423 nan 8.370 nan 0.000 0.465 68 M N -0.877 118.732 119.600 0.014 0.000 2.254 68 M HA 0.070 4.550 4.480 -0.000 0.000 0.265 68 M C 2.117 178.425 176.300 0.014 0.000 1.066 68 M CA 0.964 56.272 55.300 0.014 0.000 1.123 68 M CB 0.127 32.734 32.600 0.012 0.000 1.388 68 M HN 0.324 nan 8.290 nan 0.000 0.425 69 L N 0.337 121.568 121.223 0.013 0.000 2.095 69 L HA -0.047 4.293 4.340 -0.000 0.000 0.204 69 L C 1.806 178.685 176.870 0.015 0.000 1.080 69 L CA 1.787 56.635 54.840 0.013 0.000 0.759 69 L CB -0.453 41.613 42.059 0.012 0.000 0.914 69 L HN 0.309 nan 8.230 nan 0.000 0.439 70 L N -1.630 119.603 121.223 0.016 0.000 2.270 70 L HA -0.063 4.277 4.340 -0.000 0.000 0.210 70 L C 2.172 179.055 176.870 0.021 0.000 1.104 70 L CA 0.919 55.770 54.840 0.019 0.000 0.804 70 L CB -0.784 41.286 42.059 0.018 0.000 0.937 70 L HN 0.196 nan 8.230 nan 0.000 0.450 71 T N 0.216 114.782 114.554 0.021 0.000 2.788 71 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 71 T C 2.039 176.752 174.700 0.022 0.000 1.044 71 T CA 1.312 63.426 62.100 0.024 0.000 1.139 71 T CB -0.089 68.793 68.868 0.023 0.000 0.867 71 T HN 0.428 nan 8.240 nan 0.000 0.454 72 A N 1.365 124.196 122.820 0.018 0.000 1.898 72 A HA 0.201 4.521 4.320 -0.000 0.000 0.216 72 A C 2.632 180.226 177.584 0.016 0.000 1.181 72 A CA 1.652 53.698 52.037 0.015 0.000 0.620 72 A CB -1.305 17.703 19.000 0.012 0.000 0.819 72 A HN 0.492 nan 8.150 nan 0.000 0.442 73 G N -0.293 108.518 108.800 0.018 0.000 2.440 73 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 73 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 73 G C 1.419 176.333 174.900 0.023 0.000 1.154 73 G CA 1.069 46.180 45.100 0.020 0.000 0.767 73 G HN 0.649 nan 8.290 nan 0.000 0.552 74 E N 0.090 120.306 120.200 0.027 0.000 2.106 74 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 74 E C 3.094 179.712 176.600 0.030 0.000 0.984 74 E CA 1.083 57.503 56.400 0.033 0.000 0.806 74 E CB -0.160 29.562 29.700 0.038 0.000 0.750 74 E HN 0.438 nan 8.360 nan 0.000 0.458 75 R N 1.057 121.572 120.500 0.025 0.000 2.120 75 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 75 R C 2.052 178.359 176.300 0.013 0.000 1.123 75 R CA 1.396 57.508 56.100 0.019 0.000 0.975 75 R CB -1.257 29.052 30.300 0.015 0.000 0.866 75 R HN 0.034 nan 8.270 nan 0.000 0.446 76 I N 1.358 121.936 120.570 0.012 0.000 2.099 76 I HA -0.223 3.947 4.170 -0.000 0.000 0.239 76 I C 2.523 178.643 176.117 0.006 0.000 1.066 76 I CA 1.934 63.239 61.300 0.007 0.000 1.324 76 I CB -1.333 36.672 38.000 0.008 0.000 1.037 76 I HN 0.297 nan 8.210 nan 0.000 0.401 77 S N 1.058 116.766 115.700 0.012 0.000 2.359 77 S HA -0.246 4.224 4.470 -0.000 0.000 0.222 77 S C 1.919 176.522 174.600 0.006 0.000 1.038 77 S CA 1.768 59.974 58.200 0.010 0.000 1.051 77 S CB -0.586 62.629 63.200 0.026 0.000 0.944 77 S HN 0.497 nan 8.310 nan 0.000 0.433 78 N N 1.846 120.557 118.700 0.019 0.000 2.060 78 N HA -0.182 4.558 4.740 -0.000 0.000 0.195 78 N C 1.714 177.226 175.510 0.003 0.000 1.028 78 N CA 1.875 54.937 53.050 0.020 0.000 0.861 78 N CB -0.495 38.011 38.487 0.032 0.000 1.029 78 N HN 0.388 nan 8.380 nan 0.000 0.428 79 A N 1.145 123.963 122.820 -0.003 0.000 1.873 79 A HA -0.038 4.282 4.320 -0.000 0.000 0.215 79 A C 2.649 180.222 177.584 -0.018 0.000 1.186 79 A CA 1.041 53.071 52.037 -0.012 0.000 0.616 79 A CB -0.760 18.234 19.000 -0.011 0.000 0.823 79 A HN 0.343 nan 8.150 nan 0.000 0.442 80 L N -0.579 120.633 121.223 -0.019 0.000 2.017 80 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 80 L C 2.546 179.391 176.870 -0.041 0.000 1.073 80 L CA 1.171 55.994 54.840 -0.028 0.000 0.745 80 L CB -0.682 41.361 42.059 -0.026 0.000 0.894 80 L HN 0.233 nan 8.230 nan 0.000 0.432 81 V N 0.227 120.114 119.914 -0.045 0.000 2.332 81 V HA -0.341 3.779 4.120 -0.000 0.000 0.248 81 V C 2.772 178.836 176.094 -0.050 0.000 1.055 81 V CA 1.906 64.166 62.300 -0.066 0.000 1.038 81 V CB -0.945 30.835 31.823 -0.072 0.000 0.651 81 V HN 0.506 nan 8.190 nan 0.000 0.450 82 A N -0.638 122.164 122.820 -0.030 0.000 1.877 82 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 82 A C 2.243 179.810 177.584 -0.029 0.000 1.186 82 A CA 2.284 54.306 52.037 -0.024 0.000 0.620 82 A CB -0.487 18.501 19.000 -0.020 0.000 0.822 82 A HN 0.500 nan 8.150 nan 0.000 0.443 83 M N -0.585 118.997 119.600 -0.031 0.000 2.108 83 M HA -0.178 4.302 4.480 -0.000 0.000 0.261 83 M C 2.541 178.819 176.300 -0.035 0.000 1.066 83 M CA 1.461 56.743 55.300 -0.030 0.000 1.107 83 M CB -0.488 32.095 32.600 -0.028 0.000 1.356 83 M HN 0.510 nan 8.290 nan 0.000 0.406 84 A N 0.737 123.530 122.820 -0.045 0.000 1.877 84 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 84 A C 2.059 179.611 177.584 -0.052 0.000 1.186 84 A CA 1.466 53.470 52.037 -0.055 0.000 0.620 84 A CB -0.880 18.074 19.000 -0.076 0.000 0.822 84 A HN 0.430 nan 8.150 nan 0.000 0.443 85 I N -0.440 120.100 120.570 -0.051 0.000 2.208 85 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 85 I C 2.494 178.593 176.117 -0.030 0.000 1.097 85 I CA 1.833 63.108 61.300 -0.042 0.000 1.363 85 I CB -0.377 37.604 38.000 -0.032 0.000 1.051 85 I HN 0.422 nan 8.210 nan 0.000 0.413 86 E N 0.304 120.488 120.200 -0.027 0.000 2.153 86 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 86 E C 2.226 178.813 176.600 -0.022 0.000 0.988 86 E CA 1.519 57.906 56.400 -0.022 0.000 0.811 86 E CB -0.060 29.627 29.700 -0.021 0.000 0.746 86 E HN 0.541 nan 8.360 nan 0.000 0.466 87 S N 0.251 115.936 115.700 -0.026 0.000 2.447 87 S HA -0.098 4.372 4.470 -0.000 0.000 0.233 87 S C 1.539 176.125 174.600 -0.024 0.000 1.006 87 S CA 0.617 58.802 58.200 -0.025 0.000 0.957 87 S CB 0.011 63.194 63.200 -0.028 0.000 0.773 87 S HN 0.077 nan 8.310 nan 0.000 0.507 88 L N 1.642 122.849 121.223 -0.027 0.000 2.611 88 L HA 0.422 4.762 4.340 -0.000 0.000 0.229 88 L C 1.636 178.495 176.870 -0.018 0.000 1.137 88 L CA 0.464 55.289 54.840 -0.025 0.000 0.901 88 L CB -0.964 41.076 42.059 -0.032 0.000 1.098 88 L HN 0.585 nan 8.230 nan 0.000 0.456 89 G N -0.437 108.354 108.800 -0.016 0.000 2.182 89 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.248 89 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.248 89 G C 0.314 175.210 174.900 -0.008 0.000 1.042 89 G CA 0.271 45.364 45.100 -0.011 0.000 0.775 89 G HN 0.679 nan 8.290 nan 0.000 0.501 90 A N -0.808 122.007 122.820 -0.008 0.000 2.386 90 A HA 0.872 5.192 4.320 -0.000 0.000 0.308 90 A C -0.038 177.544 177.584 -0.002 0.000 1.128 90 A CA -0.590 51.446 52.037 -0.003 0.000 0.789 90 A CB 1.250 20.249 19.000 -0.002 0.000 1.325 90 A HN 0.336 nan 8.150 nan 0.000 0.437 91 E N -0.101 120.101 120.200 0.004 0.000 2.216 91 E HA 0.562 4.912 4.350 -0.000 0.000 0.279 91 E C -0.562 176.044 176.600 0.010 0.000 0.997 91 E CA -0.466 55.936 56.400 0.003 0.000 0.817 91 E CB 1.860 31.564 29.700 0.006 0.000 1.096 91 E HN 0.759 nan 8.360 nan 0.000 0.393 92 A N 3.406 126.227 122.820 0.002 0.000 2.374 92 A HA 0.331 4.651 4.320 -0.000 0.000 0.305 92 A C -1.011 176.563 177.584 -0.016 0.000 1.053 92 A CA -0.606 51.436 52.037 0.009 0.000 0.726 92 A CB 1.511 20.514 19.000 0.005 0.000 1.229 92 A HN 0.596 nan 8.150 nan 0.000 0.431 93 Q N 1.828 121.622 119.800 -0.010 0.000 2.322 93 Q HA 0.565 4.905 4.340 -0.000 0.000 0.265 93 Q C -0.599 175.293 176.000 -0.180 0.000 0.985 93 Q CA -0.355 55.368 55.803 -0.132 0.000 0.849 93 Q CB 1.374 30.010 28.738 -0.169 0.000 1.274 93 Q HN 0.754 nan 8.270 nan 0.000 0.449 94 S N 2.445 117.990 115.700 -0.258 0.000 2.632 94 S HA 0.592 5.062 4.470 -0.000 0.000 0.267 94 S C -0.908 173.424 174.600 -0.447 0.000 1.276 94 S CA -0.150 57.946 58.200 -0.174 0.000 0.998 94 S CB 0.434 63.574 63.200 -0.099 0.000 0.953 94 S HN 0.456 nan 8.310 nan 0.000 0.547 95 F N -0.421 119.535 119.950 0.010 0.000 2.631 95 F HA 0.444 4.971 4.527 -0.000 0.000 0.308 95 F C 0.393 176.200 175.800 0.010 0.000 1.097 95 F CA -0.701 57.304 58.000 0.009 0.000 0.952 95 F CB 2.057 41.062 39.000 0.009 0.000 1.307 95 F HN 0.424 nan 8.300 nan 0.000 0.450 96 T N -0.016 114.667 114.554 0.215 0.000 2.918 96 T HA 0.453 4.803 4.350 -0.000 0.000 0.286 96 T C 1.158 175.936 174.700 0.130 0.000 1.026 96 T CA 0.103 62.283 62.100 0.134 0.000 1.031 96 T CB 1.499 70.415 68.868 0.080 0.000 1.046 96 T HN 0.787 nan 8.240 nan 0.000 0.479 97 G N 2.157 111.005 108.800 0.080 0.000 2.503 97 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.221 97 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.221 97 G C 1.071 175.999 174.900 0.047 0.000 1.131 97 G CA 1.052 46.181 45.100 0.049 0.000 0.756 97 G HN 0.745 nan 8.290 nan 0.000 0.572 117 T N -1.915 112.557 114.554 -0.136 0.000 2.778 117 T HA 0.517 4.867 4.350 -0.000 0.000 0.293 117 T C -2.363 172.240 174.700 -0.162 0.000 1.144 117 T CA -0.802 61.228 62.100 -0.117 0.000 1.010 117 T CB 1.921 70.746 68.868 -0.072 0.000 1.325 117 T HN 0.147 nan 8.240 nan 0.000 0.515 118 P HA -0.068 nan 4.420 nan 0.000 0.215 118 P C 1.789 179.023 177.300 -0.111 0.000 1.157 118 P CA 1.831 64.857 63.100 -0.123 0.000 0.868 118 P CB -0.816 30.827 31.700 -0.096 0.000 0.788 119 G N 0.501 109.252 108.800 -0.081 0.000 2.628 119 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.217 119 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.217 119 G C 2.044 176.915 174.900 -0.049 0.000 1.240 119 G CA 2.451 47.520 45.100 -0.052 0.000 0.792 119 G HN 0.450 nan 8.290 nan 0.000 0.593 120 R N -0.326 120.144 120.500 -0.050 0.000 2.148 120 R HA 0.246 4.586 4.340 -0.000 0.000 0.227 120 R C 2.703 178.967 176.300 -0.059 0.000 1.103 120 R CA 1.632 57.739 56.100 0.011 0.000 0.983 120 R CB -1.169 29.203 30.300 0.119 0.000 0.874 120 R HN 0.354 nan 8.270 nan 0.000 0.451 121 V N 0.661 120.398 119.914 -0.296 0.000 2.244 121 V HA -0.217 3.903 4.120 -0.000 0.000 0.244 121 V C 2.652 178.681 176.094 -0.108 0.000 1.042 121 V CA 2.070 64.157 62.300 -0.355 0.000 1.006 121 V CB -0.486 31.087 31.823 -0.417 0.000 0.641 121 V HN 0.563 nan 8.190 nan 0.000 0.446 122 R N 0.570 121.017 120.500 -0.087 0.000 2.127 122 R HA -0.211 4.129 4.340 -0.000 0.000 0.238 122 R C 2.084 178.381 176.300 -0.006 0.000 1.134 122 R CA 1.962 58.039 56.100 -0.039 0.000 0.975 122 R CB -0.543 29.733 30.300 -0.040 0.000 0.865 122 R HN 0.617 nan 8.270 nan 0.000 0.447 123 E N -0.266 119.938 120.200 0.007 0.000 2.031 123 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 123 E C 1.724 178.356 176.600 0.055 0.000 0.994 123 E CA 1.852 58.271 56.400 0.033 0.000 0.800 123 E CB -0.452 29.276 29.700 0.047 0.000 0.752 123 E HN 0.358 nan 8.360 nan 0.000 0.447 124 A N 0.134 123.009 122.820 0.093 0.000 1.930 124 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 124 A C 2.072 179.703 177.584 0.079 0.000 1.175 124 A CA 1.225 53.334 52.037 0.119 0.000 0.627 124 A CB -0.594 18.551 19.000 0.241 0.000 0.815 124 A HN 0.331 nan 8.150 nan 0.000 0.443 125 L N 0.448 121.704 121.223 0.055 0.000 2.042 125 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 125 L C 1.755 178.642 176.870 0.029 0.000 1.076 125 L CA 2.003 56.865 54.840 0.036 0.000 0.749 125 L CB -1.027 41.041 42.059 0.015 0.000 0.893 125 L HN 0.353 nan 8.230 nan 0.000 0.432 126 D N -0.484 119.930 120.400 0.024 0.000 2.219 126 D HA -0.156 4.484 4.640 -0.000 0.000 0.205 126 D C 1.886 178.199 176.300 0.022 0.000 0.970 126 D CA 0.783 54.794 54.000 0.019 0.000 0.851 126 D CB 0.017 40.827 40.800 0.015 0.000 0.943 126 D HN 0.473 nan 8.370 nan 0.000 0.488 127 E N -0.249 119.968 120.200 0.028 0.000 2.511 127 E HA 0.141 4.491 4.350 -0.000 0.000 0.196 127 E C 1.090 177.705 176.600 0.025 0.000 1.066 127 E CA 0.344 56.760 56.400 0.026 0.000 0.871 127 E CB 0.131 29.849 29.700 0.031 0.000 0.863 127 E HN 0.249 nan 8.360 nan 0.000 0.520 128 G N 2.109 110.925 108.800 0.028 0.000 2.160 128 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.244 128 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.244 128 G C -0.117 174.802 174.900 0.031 0.000 1.022 128 G CA 0.030 45.146 45.100 0.026 0.000 0.741 128 G HN 0.137 nan 8.290 nan 0.000 0.508 129 K N -0.071 120.355 120.400 0.043 0.000 2.205 129 K HA 0.518 4.838 4.320 -0.000 0.000 0.279 129 K C 0.824 177.463 176.600 0.064 0.000 1.027 129 K CA -0.674 55.644 56.287 0.051 0.000 0.932 129 K CB 1.262 33.801 32.500 0.065 0.000 1.032 129 K HN 0.266 nan 8.250 nan 0.000 0.466 130 I N 3.206 123.810 120.570 0.057 0.000 2.452 130 I HA 0.009 4.179 4.170 -0.000 0.000 0.287 130 I C -0.139 176.038 176.117 0.099 0.000 1.079 130 I CA -0.451 60.889 61.300 0.067 0.000 1.387 130 I CB 0.457 38.487 38.000 0.049 0.000 1.404 130 I HN 0.519 nan 8.210 nan 0.000 0.522 131 C N 7.869 127.246 119.300 0.129 0.000 2.239 131 C HA 0.485 4.945 4.460 -0.000 0.000 0.325 131 C C 0.262 175.368 174.990 0.193 0.000 1.231 131 C CA -0.677 58.472 59.018 0.218 0.000 1.652 131 C CB -0.693 27.180 27.740 0.222 0.000 2.284 131 C HN 0.472 nan 8.230 nan 0.000 0.499 132 I N 4.829 125.520 120.570 0.201 0.000 2.315 132 I HA 0.498 4.668 4.170 -0.000 0.000 0.291 132 I C 0.499 176.750 176.117 0.224 0.000 1.006 132 I CA 0.232 61.630 61.300 0.163 0.000 1.265 132 I CB 0.660 38.719 38.000 0.100 0.000 1.387 132 I HN 0.579 nan 8.210 nan 0.000 0.475 153 G N 0.380 109.177 108.800 -0.004 0.000 2.448 153 G HA2 0.487 4.447 3.960 -0.000 0.000 0.285 153 G HA3 0.487 4.447 3.960 -0.000 0.000 0.285 153 G C 1.235 176.133 174.900 -0.004 0.000 1.176 153 G CA 0.676 45.771 45.100 -0.008 0.000 0.852 153 G HN 0.797 nan 8.290 nan 0.000 0.530 154 S N 0.827 116.532 115.700 0.007 0.000 2.355 154 S HA -0.154 4.316 4.470 -0.000 0.000 0.222 154 S C 1.593 176.199 174.600 0.010 0.000 1.031 154 S CA 1.749 59.961 58.200 0.020 0.000 0.993 154 S CB -0.361 62.859 63.200 0.034 0.000 0.859 154 S HN 0.486 nan 8.310 nan 0.000 0.453 155 D N 1.708 122.106 120.400 -0.003 0.000 2.123 155 D HA -0.045 4.595 4.640 -0.000 0.000 0.196 155 D C 2.087 178.370 176.300 -0.029 0.000 0.992 155 D CA 1.880 55.872 54.000 -0.014 0.000 0.833 155 D CB -0.670 40.116 40.800 -0.024 0.000 0.954 155 D HN 0.535 nan 8.370 nan 0.000 0.455 156 T N -0.999 113.517 114.554 -0.063 0.000 2.857 156 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 156 T C 1.989 176.691 174.700 0.003 0.000 1.048 156 T CA 1.264 63.300 62.100 -0.107 0.000 1.139 156 T CB -0.416 68.322 68.868 -0.217 0.000 0.874 156 T HN 0.102 nan 8.240 nan 0.000 0.455 157 T N 1.946 116.506 114.554 0.011 0.000 2.708 157 T HA -0.004 4.346 4.350 -0.000 0.000 0.266 157 T C 2.412 177.127 174.700 0.025 0.000 1.037 157 T CA 1.180 63.297 62.100 0.028 0.000 1.146 157 T CB -0.511 68.372 68.868 0.025 0.000 0.865 157 T HN 0.426 nan 8.240 nan 0.000 0.435 158 A N 0.872 123.706 122.820 0.023 0.000 1.883 158 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 158 A C 2.546 180.146 177.584 0.026 0.000 1.186 158 A CA 1.638 53.687 52.037 0.021 0.000 0.624 158 A CB -0.992 18.019 19.000 0.017 0.000 0.822 158 A HN 0.374 nan 8.150 nan 0.000 0.444 159 V N -0.194 119.747 119.914 0.046 0.000 2.427 159 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 159 V C 3.022 179.165 176.094 0.080 0.000 1.051 159 V CA 1.666 64.013 62.300 0.079 0.000 1.048 159 V CB -1.351 30.541 31.823 0.115 0.000 0.666 159 V HN 0.618 nan 8.190 nan 0.000 0.456 160 A N 0.174 123.056 122.820 0.104 0.000 1.892 160 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 160 A C 2.250 179.779 177.584 -0.093 0.000 1.188 160 A CA 2.098 54.143 52.037 0.013 0.000 0.631 160 A CB -0.600 18.441 19.000 0.068 0.000 0.822 160 A HN 0.486 nan 8.150 nan 0.000 0.447 161 L N -0.935 120.258 121.223 -0.050 0.000 1.976 161 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 161 L C 3.170 179.998 176.870 -0.071 0.000 1.071 161 L CA 1.198 55.995 54.840 -0.072 0.000 0.746 161 L CB -0.717 41.313 42.059 -0.050 0.000 0.890 161 L HN 0.447 nan 8.230 nan 0.000 0.432 162 A N 0.109 122.908 122.820 -0.035 0.000 1.915 162 A HA -0.348 3.972 4.320 -0.000 0.000 0.220 162 A C 2.495 180.054 177.584 -0.042 0.000 1.198 162 A CA 2.522 54.547 52.037 -0.019 0.000 0.647 162 A CB -1.061 17.948 19.000 0.015 0.000 0.825 162 A HN 0.487 nan 8.150 nan 0.000 0.456 163 A N -0.451 122.322 122.820 -0.078 0.000 1.859 163 A HA 0.070 4.390 4.320 -0.000 0.000 0.217 163 A C 2.603 180.071 177.584 -0.194 0.000 1.198 163 A CA 2.864 54.808 52.037 -0.155 0.000 0.629 163 A CB -1.313 17.450 19.000 -0.395 0.000 0.830 163 A HN 1.302 nan 8.150 nan 0.000 0.446 164 A N -0.822 121.860 122.820 -0.229 0.000 1.877 164 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 164 A C 1.852 179.366 177.584 -0.117 0.000 1.186 164 A CA 1.729 53.651 52.037 -0.191 0.000 0.620 164 A CB -0.522 18.368 19.000 -0.183 0.000 0.822 164 A HN 0.403 nan 8.150 nan 0.000 0.443 165 L N -0.633 120.533 121.223 -0.095 0.000 2.551 165 L HA 0.057 4.397 4.340 -0.000 0.000 0.228 165 L C 1.496 178.341 176.870 -0.042 0.000 1.153 165 L CA 1.323 56.124 54.840 -0.066 0.000 0.851 165 L CB -2.614 39.409 42.059 -0.060 0.000 0.959 165 L HN 0.850 nan 8.230 nan 0.000 0.451 166 N N -0.664 118.012 118.700 -0.040 0.000 2.746 166 N HA -0.097 4.643 4.740 -0.000 0.000 0.250 166 N C 0.580 176.091 175.510 0.001 0.000 1.055 166 N CA 0.662 53.704 53.050 -0.013 0.000 0.699 166 N CB -1.937 36.544 38.487 -0.010 0.000 0.919 166 N HN 0.554 nan 8.380 nan 0.000 0.548 167 A N -0.615 122.208 122.820 0.004 0.000 2.351 167 A HA 0.568 4.888 4.320 -0.000 0.000 0.257 167 A C 1.165 178.765 177.584 0.028 0.000 1.087 167 A CA 0.500 52.545 52.037 0.014 0.000 0.798 167 A CB 0.451 19.459 19.000 0.013 0.000 1.033 167 A HN 0.522 nan 8.150 nan 0.000 0.488 168 D N -0.565 119.851 120.400 0.026 0.000 2.123 168 D HA 0.056 4.696 4.640 -0.000 0.000 0.200 168 D C 0.772 177.093 176.300 0.034 0.000 0.976 168 D CA 2.194 56.212 54.000 0.029 0.000 0.831 168 D CB -0.218 40.595 40.800 0.023 0.000 0.974 168 D HN 0.513 nan 8.370 nan 0.000 0.469 169 V N -2.518 117.414 119.914 0.030 0.000 3.049 169 V HA 0.489 4.609 4.120 -0.000 0.000 0.309 169 V C -0.938 175.171 176.094 0.026 0.000 1.148 169 V CA -1.414 60.903 62.300 0.028 0.000 0.990 169 V CB 2.099 33.928 31.823 0.010 0.000 1.039 169 V HN 0.042 nan 8.190 nan 0.000 0.430 170 C N 2.676 121.991 119.300 0.024 0.000 2.293 170 C HA 0.634 5.094 4.460 -0.000 0.000 0.323 170 C C -0.018 174.954 174.990 -0.030 0.000 1.240 170 C CA -0.023 59.001 59.018 0.010 0.000 1.497 170 C CB -0.451 27.306 27.740 0.029 0.000 2.171 170 C HN 1.033 nan 8.230 nan 0.000 0.465 171 E N 5.416 125.577 120.200 -0.066 0.000 2.227 171 E HA 0.420 4.770 4.350 -0.000 0.000 0.282 171 E C -0.454 176.004 176.600 -0.237 0.000 1.015 171 E CA -0.374 55.911 56.400 -0.192 0.000 0.823 171 E CB 1.169 30.730 29.700 -0.233 0.000 1.081 171 E HN 0.576 nan 8.360 nan 0.000 0.396 172 I N 4.055 124.454 120.570 -0.284 0.000 2.330 172 I HA 0.213 4.383 4.170 -0.000 0.000 0.286 172 I C -0.664 175.293 176.117 -0.267 0.000 1.025 172 I CA -0.530 60.653 61.300 -0.195 0.000 1.197 172 I CB -0.222 37.721 38.000 -0.096 0.000 1.358 172 I HN 0.472 nan 8.210 nan 0.000 0.467 173 Y N 4.515 124.711 120.300 -0.173 0.000 2.334 173 Y HA 0.513 5.062 4.550 -0.000 0.000 0.328 173 Y C 0.993 176.918 175.900 0.043 0.000 1.130 173 Y CA 0.132 58.184 58.100 -0.081 0.000 1.163 173 Y CB 1.852 40.208 38.460 -0.173 0.000 1.207 173 Y HN 0.705 nan 8.280 nan 0.000 0.471 174 S N -0.404 115.461 115.700 0.276 0.000 2.930 174 S HA 0.208 4.678 4.470 -0.000 0.000 0.306 174 S C -0.536 174.239 174.600 0.293 0.000 1.238 174 S CA -0.388 57.956 58.200 0.241 0.000 1.000 174 S CB 0.774 64.058 63.200 0.141 0.000 1.342 174 S HN 0.522 nan 8.310 nan 0.000 0.575 175 D N 0.648 121.170 120.400 0.204 0.000 2.349 175 D HA 0.189 4.829 4.640 -0.000 0.000 0.214 175 D C 0.848 177.198 176.300 0.083 0.000 1.063 175 D CA 0.294 54.373 54.000 0.131 0.000 0.847 175 D CB -0.061 40.703 40.800 -0.060 0.000 0.933 175 D HN 0.736 nan 8.370 nan 0.000 0.513 176 V N 0.334 120.310 119.914 0.103 0.000 2.398 176 V HA 0.413 4.533 4.120 -0.000 0.000 0.286 176 V C 0.242 176.419 176.094 0.138 0.000 1.026 176 V CA -0.753 61.610 62.300 0.106 0.000 0.868 176 V CB 1.702 33.579 31.823 0.090 0.000 0.982 176 V HN -0.037 nan 8.190 nan 0.000 0.443 177 D N 3.443 123.946 120.400 0.172 0.000 2.319 177 D HA 0.437 5.077 4.640 -0.000 0.000 0.230 177 D C 0.573 176.921 176.300 0.080 0.000 1.094 177 D CA 0.859 54.939 54.000 0.134 0.000 0.856 177 D CB 0.360 41.243 40.800 0.140 0.000 0.915 177 D HN 1.285 nan 8.370 nan 0.000 0.517 178 G N -1.190 107.676 108.800 0.111 0.000 2.320 178 G HA2 0.332 4.292 3.960 -0.000 0.000 0.297 178 G HA3 0.332 4.292 3.960 -0.000 0.000 0.297 178 G C -1.764 173.181 174.900 0.076 0.000 1.344 178 G CA -0.380 44.717 45.100 -0.004 0.000 0.851 178 G HN 0.442 nan 8.290 nan 0.000 0.567 179 V N -0.216 119.686 119.914 -0.020 0.000 2.472 179 V HA 0.856 4.976 4.120 -0.000 0.000 0.290 179 V C -0.895 175.190 176.094 -0.015 0.000 1.037 179 V CA -0.755 61.588 62.300 0.070 0.000 0.908 179 V CB 0.779 32.624 31.823 0.036 0.000 0.985 179 V HN 0.719 nan 8.190 nan 0.000 0.454 180 Y N 2.664 122.973 120.300 0.015 0.000 2.567 180 Y HA 0.409 4.959 4.550 0.001 0.000 0.333 180 Y C 1.866 177.796 175.900 0.050 0.000 1.106 180 Y CA 0.061 58.178 58.100 0.029 0.000 1.157 180 Y CB 2.215 40.689 38.460 0.023 0.000 1.277 180 Y HN 0.773 nan 8.280 nan 0.000 0.490 181 T N -1.414 113.290 114.554 0.249 0.000 3.072 181 T HA 0.426 4.776 4.350 -0.000 0.000 0.266 181 T C 0.358 175.228 174.700 0.284 0.000 1.127 181 T CA 0.750 62.991 62.100 0.235 0.000 1.107 181 T CB -0.225 68.807 68.868 0.274 0.000 0.910 181 T HN 0.695 nan 8.240 nan 0.000 0.513 182 A N 0.377 123.330 122.820 0.221 0.000 2.515 182 A HA 0.484 4.804 4.320 -0.000 0.000 0.292 182 A C -1.678 175.924 177.584 0.029 0.000 1.065 182 A CA -0.795 51.304 52.037 0.104 0.000 0.641 182 A CB 0.190 19.198 19.000 0.013 0.000 1.306 182 A HN 0.096 nan 8.150 nan 0.000 0.441 183 D N 0.815 121.204 120.400 -0.018 0.000 2.363 183 D HA 0.261 4.901 4.640 -0.000 0.000 0.263 183 D C -1.470 174.761 176.300 -0.114 0.000 1.258 183 D CA -1.228 52.734 54.000 -0.064 0.000 0.907 183 D CB 1.010 41.781 40.800 -0.048 0.000 1.107 183 D HN 0.086 nan 8.370 nan 0.000 0.495 184 P HA -0.090 nan 4.420 nan 0.000 0.219 184 P C 1.102 178.322 177.300 -0.132 0.000 1.146 184 P CA 0.921 63.912 63.100 -0.181 0.000 0.808 184 P CB 0.326 31.853 31.700 -0.288 0.000 0.779 185 R N -0.945 119.486 120.500 -0.115 0.000 2.096 185 R HA -0.030 4.310 4.340 -0.000 0.000 0.235 185 R C 2.245 178.500 176.300 -0.075 0.000 1.127 185 R CA 1.192 57.241 56.100 -0.085 0.000 0.968 185 R CB -0.923 29.335 30.300 -0.071 0.000 0.861 185 R HN 0.255 nan 8.270 nan 0.000 0.440 186 I N -0.779 119.743 120.570 -0.079 0.000 2.364 186 I HA -0.038 4.132 4.170 -0.000 0.000 0.241 186 I C 0.118 176.179 176.117 -0.092 0.000 1.082 186 I CA 0.393 61.651 61.300 -0.071 0.000 1.401 186 I CB 0.299 38.263 38.000 -0.059 0.000 1.126 186 I HN -0.169 nan 8.210 nan 0.000 0.429 187 V N 3.374 123.208 119.914 -0.134 0.000 2.350 187 V HA 0.167 4.287 4.120 -0.000 0.000 0.276 187 V C -1.610 174.376 176.094 -0.179 0.000 1.028 187 V CA -1.040 61.137 62.300 -0.205 0.000 0.860 187 V CB 0.965 32.551 31.823 -0.395 0.000 0.990 187 V HN 0.112 nan 8.190 nan 0.000 0.453 188 P HA -0.023 nan 4.420 nan 0.000 0.221 188 P C 0.639 177.905 177.300 -0.056 0.000 1.155 188 P CA 0.697 63.749 63.100 -0.081 0.000 0.812 188 P CB 0.093 31.761 31.700 -0.053 0.000 0.801 189 N N -0.360 118.309 118.700 -0.052 0.000 2.455 189 N HA 0.316 5.056 4.740 -0.000 0.000 0.258 189 N C -0.114 175.440 175.510 0.073 0.000 1.158 189 N CA -0.457 52.605 53.050 0.020 0.000 0.893 189 N CB 0.213 38.730 38.487 0.050 0.000 1.173 189 N HN -0.080 nan 8.380 nan 0.000 0.503 190 A N 0.916 123.740 122.820 0.007 0.000 2.409 190 A HA 0.148 4.468 4.320 -0.000 0.000 0.262 190 A C 0.140 177.894 177.584 0.284 0.000 1.113 190 A CA -0.183 51.927 52.037 0.121 0.000 0.790 190 A CB 0.633 19.642 19.000 0.015 0.000 1.046 190 A HN 0.441 nan 8.150 nan 0.000 0.496 191 Q N 0.898 120.870 119.800 0.286 0.000 2.257 191 Q HA 0.265 4.605 4.340 -0.000 0.000 0.262 191 Q C -0.303 175.667 176.000 -0.049 0.000 0.997 191 Q CA -0.720 55.179 55.803 0.161 0.000 0.873 191 Q CB 1.726 30.510 28.738 0.077 0.000 1.312 191 Q HN 0.754 nan 8.270 nan 0.000 0.450 192 K N 2.441 122.592 120.400 -0.414 0.000 2.412 192 K HA 0.082 4.402 4.320 -0.000 0.000 0.281 192 K C -0.629 175.762 176.600 -0.349 0.000 1.027 192 K CA -0.419 55.372 56.287 -0.827 0.000 0.989 192 K CB 0.429 32.493 32.500 -0.726 0.000 0.935 192 K HN 0.370 nan 8.250 nan 0.000 0.475 193 L N 4.726 125.777 121.223 -0.287 0.000 2.380 193 L HA 0.033 4.373 4.340 -0.000 0.000 0.273 193 L C 1.266 178.052 176.870 -0.141 0.000 1.138 193 L CA 0.459 55.209 54.840 -0.151 0.000 0.832 193 L CB 0.994 42.991 42.059 -0.103 0.000 1.124 193 L HN 0.745 nan 8.230 nan 0.000 0.454 194 E N 3.027 123.166 120.200 -0.102 0.000 2.028 194 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 194 E C -0.074 176.475 176.600 -0.085 0.000 0.988 194 E CA 1.136 57.484 56.400 -0.086 0.000 0.799 194 E CB -0.086 29.575 29.700 -0.065 0.000 0.755 194 E HN 0.600 nan 8.360 nan 0.000 0.447 195 K N -0.966 119.385 120.400 -0.082 0.000 2.555 195 K HA 0.679 4.999 4.320 -0.000 0.000 0.279 195 K C -1.545 175.001 176.600 -0.090 0.000 0.986 195 K CA -1.124 55.110 56.287 -0.090 0.000 0.880 195 K CB 1.730 34.178 32.500 -0.087 0.000 1.474 195 K HN 0.028 nan 8.250 nan 0.000 0.433 196 L N 0.710 121.866 121.223 -0.111 0.000 2.556 196 L HA 0.418 4.758 4.340 -0.000 0.000 0.257 196 L C -1.068 175.705 176.870 -0.163 0.000 0.955 196 L CA -0.020 54.757 54.840 -0.105 0.000 0.850 196 L CB 2.444 44.455 42.059 -0.079 0.000 1.398 196 L HN 0.971 nan 8.230 nan 0.000 0.412 197 S N 1.750 117.367 115.700 -0.138 0.000 2.617 197 S HA 0.392 4.862 4.470 -0.000 0.000 0.269 197 S C 1.135 175.653 174.600 -0.137 0.000 1.292 197 S CA -0.294 57.794 58.200 -0.187 0.000 1.010 197 S CB 0.429 63.577 63.200 -0.087 0.000 0.944 197 S HN 0.436 nan 8.310 nan 0.000 0.536 198 F N 1.989 121.934 119.950 -0.008 0.000 2.065 198 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 198 F C 2.751 178.547 175.800 -0.006 0.000 1.112 198 F CA 2.001 59.998 58.000 -0.005 0.000 1.212 198 F CB -0.748 38.250 39.000 -0.003 0.000 0.975 198 F HN 0.730 nan 8.300 nan 0.000 0.476 199 E N 0.613 120.927 120.200 0.190 0.000 2.152 199 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 199 E C 1.814 178.447 176.600 0.055 0.000 0.983 199 E CA 1.248 57.708 56.400 0.100 0.000 0.818 199 E CB -0.942 28.798 29.700 0.066 0.000 0.758 199 E HN 0.523 nan 8.360 nan 0.000 0.467 200 E N 0.412 120.632 120.200 0.033 0.000 2.085 200 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 200 E C 2.017 178.629 176.600 0.020 0.000 0.994 200 E CA 1.608 58.015 56.400 0.011 0.000 0.801 200 E CB -0.200 29.492 29.700 -0.012 0.000 0.743 200 E HN 0.135 nan 8.360 nan 0.000 0.453 201 M N 0.524 120.143 119.600 0.031 0.000 2.132 201 M HA -0.121 4.359 4.480 -0.000 0.000 0.263 201 M C 1.954 178.284 176.300 0.050 0.000 1.065 201 M CA 1.134 56.458 55.300 0.040 0.000 1.122 201 M CB -0.140 32.493 32.600 0.055 0.000 1.365 201 M HN 0.080 nan 8.290 nan 0.000 0.411 202 L N 0.111 121.374 121.223 0.066 0.000 2.042 202 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 202 L C 2.279 179.169 176.870 0.033 0.000 1.076 202 L CA 2.033 56.904 54.840 0.052 0.000 0.749 202 L CB -0.979 41.114 42.059 0.058 0.000 0.893 202 L HN 0.393 nan 8.230 nan 0.000 0.432 203 E N -0.815 119.402 120.200 0.029 0.000 2.046 203 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 203 E C 2.279 178.891 176.600 0.020 0.000 0.982 203 E CA 1.149 57.559 56.400 0.018 0.000 0.800 203 E CB -0.313 29.394 29.700 0.011 0.000 0.756 203 E HN 0.419 nan 8.360 nan 0.000 0.449 204 L N -0.003 121.234 121.223 0.024 0.000 2.013 204 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 204 L C 2.425 179.313 176.870 0.030 0.000 1.073 204 L CA 1.402 56.260 54.840 0.029 0.000 0.753 204 L CB -0.547 41.532 42.059 0.032 0.000 0.890 204 L HN 0.235 nan 8.230 nan 0.000 0.432 205 A N -0.400 122.437 122.820 0.029 0.000 2.024 205 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 205 A C 2.420 180.016 177.584 0.021 0.000 1.164 205 A CA 1.666 53.718 52.037 0.025 0.000 0.643 205 A CB -0.637 18.377 19.000 0.025 0.000 0.806 205 A HN 0.460 nan 8.150 nan 0.000 0.451 206 A N -0.469 122.363 122.820 0.020 0.000 2.067 206 A HA 0.154 4.474 4.320 -0.000 0.000 0.219 206 A C 1.672 179.267 177.584 0.019 0.000 1.158 206 A CA 1.686 53.733 52.037 0.016 0.000 0.661 206 A CB -0.529 18.478 19.000 0.012 0.000 0.801 206 A HN 1.250 nan 8.150 nan 0.000 0.452 207 V N -5.575 114.353 119.914 0.023 0.000 3.078 207 V HA 0.705 4.825 4.120 -0.000 0.000 0.344 207 V C 0.691 176.803 176.094 0.030 0.000 1.409 207 V CA 0.600 62.917 62.300 0.027 0.000 1.146 207 V CB -0.331 31.510 31.823 0.030 0.000 1.126 207 V HN 0.836 nan 8.190 nan 0.000 0.513 208 G N -0.167 108.649 108.800 0.027 0.000 3.859 208 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.198 208 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.198 208 G C 0.311 175.226 174.900 0.024 0.000 0.972 208 G CA 0.294 45.409 45.100 0.026 0.000 0.882 208 G HN 0.574 nan 8.290 nan 0.000 0.364 209 S N 0.872 116.589 115.700 0.029 0.000 2.560 209 S HA 0.473 4.943 4.470 -0.000 0.000 0.284 209 S C 0.609 175.224 174.600 0.025 0.000 1.327 209 S CA 0.527 58.745 58.200 0.030 0.000 1.055 209 S CB 0.676 63.898 63.200 0.037 0.000 0.868 209 S HN 0.328 nan 8.310 nan 0.000 0.506 210 K N 4.085 124.499 120.400 0.023 0.000 2.706 210 K HA 0.272 4.592 4.320 -0.000 0.000 0.203 210 K C 0.807 177.420 176.600 0.021 0.000 1.102 210 K CA -0.099 56.200 56.287 0.019 0.000 1.058 210 K CB 0.211 32.720 32.500 0.016 0.000 0.779 210 K HN 0.550 nan 8.250 nan 0.000 0.483 211 I N 0.779 121.366 120.570 0.027 0.000 2.141 211 I HA -0.139 4.031 4.170 -0.000 0.000 0.236 211 I C 0.586 176.717 176.117 0.023 0.000 1.071 211 I CA 1.080 62.398 61.300 0.030 0.000 1.345 211 I CB 0.116 38.139 38.000 0.039 0.000 1.066 211 I HN 0.051 nan 8.210 nan 0.000 0.406 212 L N 1.224 122.459 121.223 0.020 0.000 2.343 212 L HA 0.299 4.639 4.340 -0.000 0.000 0.275 212 L C 0.152 177.025 176.870 0.005 0.000 1.056 212 L CA -0.420 54.428 54.840 0.012 0.000 0.804 212 L CB 0.898 42.967 42.059 0.017 0.000 1.203 212 L HN -0.041 nan 8.230 nan 0.000 0.440 213 V N 2.059 121.968 119.914 -0.009 0.000 2.637 213 V HA 0.112 4.232 4.120 -0.000 0.000 0.296 213 V C 1.364 177.438 176.094 -0.033 0.000 1.046 213 V CA -0.053 62.233 62.300 -0.023 0.000 1.066 213 V CB 0.678 32.478 31.823 -0.038 0.000 0.968 213 V HN 0.751 nan 8.190 nan 0.000 0.483 214 L N 4.441 125.647 121.223 -0.028 0.000 2.013 214 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 214 L C 3.024 179.865 176.870 -0.049 0.000 1.073 214 L CA 2.498 57.324 54.840 -0.023 0.000 0.753 214 L CB -0.349 41.702 42.059 -0.014 0.000 0.890 214 L HN 0.937 nan 8.230 nan 0.000 0.432 215 R N -0.378 120.060 120.500 -0.102 0.000 2.148 215 R HA -0.116 4.224 4.340 -0.000 0.000 0.227 215 R C 2.194 178.302 176.300 -0.320 0.000 1.103 215 R CA 1.508 57.493 56.100 -0.193 0.000 0.983 215 R CB -0.756 29.389 30.300 -0.259 0.000 0.874 215 R HN 0.430 nan 8.270 nan 0.000 0.451 216 S N 1.170 116.731 115.700 -0.231 0.000 2.371 216 S HA -0.058 4.412 4.470 -0.000 0.000 0.224 216 S C 2.155 176.750 174.600 -0.008 0.000 1.029 216 S CA 0.957 59.060 58.200 -0.162 0.000 0.978 216 S CB -0.534 62.608 63.200 -0.095 0.000 0.833 216 S HN 0.137 nan 8.310 nan 0.000 0.466 217 V N 2.464 122.384 119.914 0.010 0.000 2.407 217 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 217 V C 2.896 179.010 176.094 0.035 0.000 1.055 217 V CA 2.251 64.590 62.300 0.064 0.000 1.049 217 V CB -1.028 30.844 31.823 0.082 0.000 0.662 217 V HN 0.548 nan 8.190 nan 0.000 0.455 218 E N -0.271 119.950 120.200 0.035 0.000 2.110 218 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 218 E C 2.048 178.708 176.600 0.099 0.000 0.988 218 E CA 1.542 57.966 56.400 0.041 0.000 0.804 218 E CB -0.363 29.378 29.700 0.068 0.000 0.745 218 E HN 0.612 nan 8.360 nan 0.000 0.458 219 Y N 0.310 120.587 120.300 -0.038 0.000 2.165 219 Y HA -0.089 4.461 4.550 0.000 0.000 0.286 219 Y C 2.383 178.289 175.900 0.011 0.000 1.155 219 Y CA 0.990 59.127 58.100 0.062 0.000 1.164 219 Y CB -1.264 37.282 38.460 0.144 0.000 0.978 219 Y HN 0.194 nan 8.280 nan 0.000 0.513 220 A N 0.006 122.867 122.820 0.068 0.000 1.902 220 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 220 A C 2.442 179.541 177.584 -0.807 0.000 1.181 220 A CA 1.869 53.806 52.037 -0.166 0.000 0.623 220 A CB -0.767 18.230 19.000 -0.005 0.000 0.818 220 A HN 0.422 nan 8.150 nan 0.000 0.443 221 R N -0.404 119.539 120.500 -0.928 0.000 2.083 221 R HA -0.135 4.205 4.340 -0.000 0.000 0.237 221 R C 2.297 178.243 176.300 -0.589 0.000 1.137 221 R CA 1.650 57.120 56.100 -1.050 0.000 0.951 221 R CB -0.424 29.615 30.300 -0.434 0.000 0.851 221 R HN 0.440 nan 8.270 nan 0.000 0.434 222 A N 0.109 122.644 122.820 -0.474 0.000 1.873 222 A HA -0.080 4.240 4.320 -0.000 0.000 0.215 222 A C 1.680 178.884 177.584 -0.633 0.000 1.186 222 A CA 1.057 52.744 52.037 -0.583 0.000 0.616 222 A CB -0.471 18.042 19.000 -0.813 0.000 0.823 222 A HN 0.417 nan 8.150 nan 0.000 0.442 223 F N -0.857 118.976 119.950 -0.194 0.000 2.732 223 F HA 0.209 4.736 4.527 -0.000 0.000 0.303 223 F C 0.849 176.580 175.800 -0.114 0.000 1.110 223 F CA 0.206 58.123 58.000 -0.138 0.000 1.355 223 F CB -0.568 38.359 39.000 -0.122 0.000 1.081 223 F HN 0.305 nan 8.300 nan 0.000 0.565 224 N N 0.897 119.538 118.700 -0.098 0.000 2.714 224 N HA -0.186 4.554 4.740 -0.000 0.000 0.253 224 N C -1.288 174.316 175.510 0.156 0.000 1.024 224 N CA 0.153 53.204 53.050 0.002 0.000 0.726 224 N CB -0.889 37.642 38.487 0.074 0.000 0.908 224 N HN 0.010 nan 8.380 nan 0.000 0.542 225 V N 1.436 121.433 119.914 0.138 0.000 2.318 225 V HA 0.380 4.500 4.120 -0.000 0.000 0.271 225 V C -1.855 174.441 176.094 0.337 0.000 1.030 225 V CA -1.477 60.942 62.300 0.199 0.000 0.844 225 V CB 1.326 33.228 31.823 0.133 0.000 1.015 225 V HN 0.155 nan 8.190 nan 0.000 0.460 226 P HA 0.168 nan 4.420 nan 0.000 0.264 226 P C -0.586 176.784 177.300 0.116 0.000 1.193 226 P CA 0.302 63.503 63.100 0.168 0.000 0.763 226 P CB 0.466 32.205 31.700 0.064 0.000 0.810 227 L N 3.664 124.943 121.223 0.093 0.000 2.331 227 L HA 0.609 4.949 4.340 -0.000 0.000 0.275 227 L C 0.659 177.509 176.870 -0.033 0.000 1.022 227 L CA -0.824 54.041 54.840 0.041 0.000 0.812 227 L CB 1.785 43.892 42.059 0.080 0.000 1.257 227 L HN 0.235 nan 8.230 nan 0.000 0.435 228 R N 1.421 121.876 120.500 -0.075 0.000 2.435 228 R HA 0.476 4.816 4.340 -0.000 0.000 0.308 228 R C -1.484 174.713 176.300 -0.172 0.000 0.975 228 R CA -0.426 55.601 56.100 -0.123 0.000 0.867 228 R CB 1.541 31.753 30.300 -0.145 0.000 1.171 228 R HN 0.399 nan 8.270 nan 0.000 0.470 229 V N 6.328 126.163 119.914 -0.130 0.000 2.408 229 V HA 0.457 4.577 4.120 -0.000 0.000 0.267 229 V C 0.095 176.103 176.094 -0.144 0.000 1.047 229 V CA -0.020 62.205 62.300 -0.126 0.000 0.937 229 V CB 0.515 32.304 31.823 -0.056 0.000 0.999 229 V HN 0.813 nan 8.190 nan 0.000 0.472 230 R N 2.630 123.003 120.500 -0.212 0.000 2.734 230 R HA 0.664 5.004 4.340 -0.000 0.000 0.271 230 R C -0.899 175.383 176.300 -0.030 0.000 1.021 230 R CA -0.677 55.329 56.100 -0.156 0.000 0.893 230 R CB 1.647 31.798 30.300 -0.248 0.000 1.244 230 R HN 0.428 nan 8.270 nan 0.000 0.464 231 S N -0.134 115.644 115.700 0.130 0.000 2.562 231 S HA 0.114 4.584 4.470 -0.000 0.000 0.275 231 S C 0.854 175.727 174.600 0.455 0.000 1.281 231 S CA -0.173 58.194 58.200 0.280 0.000 1.045 231 S CB 1.018 64.363 63.200 0.243 0.000 0.962 231 S HN 0.681 nan 8.310 nan 0.000 0.503 232 S N 3.839 119.826 115.700 0.479 0.000 2.593 232 S HA 0.135 4.605 4.470 -0.000 0.000 0.217 232 S C 0.575 175.176 174.600 0.002 0.000 0.966 232 S CA 0.028 58.374 58.200 0.244 0.000 0.914 232 S CB -0.346 62.945 63.200 0.151 0.000 0.776 232 S HN 0.807 nan 8.310 nan 0.000 0.523 233 Y N 1.928 122.307 120.300 0.131 0.000 2.467 233 Y HA 0.442 4.992 4.550 0.000 0.000 0.250 233 Y C 1.256 177.202 175.900 0.076 0.000 1.155 233 Y CA -0.016 58.133 58.100 0.082 0.000 1.249 233 Y CB 0.612 39.115 38.460 0.072 0.000 1.146 233 Y HN 0.498 nan 8.280 nan 0.000 0.524 234 S N -1.185 114.638 115.700 0.205 0.000 2.819 234 S HA 0.520 4.990 4.470 -0.000 0.000 0.299 234 S C 0.204 174.881 174.600 0.129 0.000 1.192 234 S CA 0.029 58.317 58.200 0.147 0.000 0.847 234 S CB 0.545 63.831 63.200 0.143 0.000 1.224 234 S HN 0.125 nan 8.310 nan 0.000 0.537 235 N N -0.099 118.661 118.700 0.101 0.000 2.184 235 N HA 0.243 4.983 4.740 -0.000 0.000 0.206 235 N C -0.031 175.527 175.510 0.079 0.000 1.151 235 N CA 0.112 53.216 53.050 0.090 0.000 0.878 235 N CB -0.124 38.402 38.487 0.064 0.000 1.014 235 N HN 0.718 nan 8.380 nan 0.000 0.512 236 D N 1.326 121.773 120.400 0.078 0.000 2.450 236 D HA 0.019 4.659 4.640 -0.000 0.000 0.247 236 D C -1.367 174.957 176.300 0.041 0.000 1.162 236 D CA -1.255 52.777 54.000 0.053 0.000 0.879 236 D CB 1.563 42.396 40.800 0.056 0.000 1.163 236 D HN 0.217 nan 8.370 nan 0.000 0.472 237 P HA 0.033 nan 4.420 nan 0.000 0.239 237 P C 0.891 178.169 177.300 -0.036 0.000 1.184 237 P CA 0.616 63.714 63.100 -0.003 0.000 0.760 237 P CB 0.091 31.786 31.700 -0.008 0.000 0.884 238 G N -0.167 108.610 108.800 -0.039 0.000 2.552 238 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.265 238 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.265 238 G C -0.649 174.199 174.900 -0.088 0.000 1.234 238 G CA 0.064 45.125 45.100 -0.066 0.000 0.944 238 G HN 0.326 nan 8.290 nan 0.000 0.568 239 T N 0.462 114.959 114.554 -0.096 0.000 2.848 239 T HA 0.542 4.892 4.350 -0.000 0.000 0.285 239 T C -0.459 174.186 174.700 -0.092 0.000 0.995 239 T CA -0.326 61.715 62.100 -0.098 0.000 0.970 239 T CB 1.882 70.689 68.868 -0.101 0.000 0.976 239 T HN 0.887 nan 8.240 nan 0.000 0.441 240 L N 4.111 125.279 121.223 -0.092 0.000 2.265 240 L HA 0.553 4.893 4.340 -0.000 0.000 0.288 240 L C -1.047 175.749 176.870 -0.124 0.000 1.058 240 L CA -0.376 54.404 54.840 -0.099 0.000 0.809 240 L CB 0.173 42.176 42.059 -0.094 0.000 1.179 240 L HN 0.539 nan 8.230 nan 0.000 0.429 241 I N 6.194 126.686 120.570 -0.130 0.000 2.307 241 I HA 0.465 4.635 4.170 -0.000 0.000 0.287 241 I C 0.619 176.492 176.117 -0.407 0.000 1.054 241 I CA 0.482 61.658 61.300 -0.207 0.000 1.218 241 I CB 1.062 39.011 38.000 -0.085 0.000 1.398 241 I HN 0.807 nan 8.210 nan 0.000 0.475 242 A N 4.374 126.855 122.820 -0.565 0.000 1.948 242 A HA 0.703 5.023 4.320 -0.000 0.000 0.197 242 A C 1.193 178.287 177.584 -0.817 0.000 1.911 242 A CA 0.484 52.166 52.037 -0.592 0.000 1.011 242 A CB -0.806 18.044 19.000 -0.250 0.000 1.119 242 A HN 0.558 nan 8.150 nan 0.000 0.621 243 G N -0.277 108.241 108.800 -0.470 0.000 2.588 243 G HA2 0.421 4.381 3.960 -0.000 0.000 0.281 243 G HA3 0.421 4.381 3.960 -0.000 0.000 0.281 243 G C 0.037 174.845 174.900 -0.154 0.000 1.236 243 G CA 0.568 45.530 45.100 -0.230 0.000 0.969 243 G HN 0.630 nan 8.290 nan 0.000 0.504 244 S N -0.702 115.037 115.700 0.065 0.000 2.525 244 S HA 0.235 4.705 4.470 -0.000 0.000 0.278 244 S C 1.625 176.243 174.600 0.030 0.000 1.234 244 S CA -0.276 57.994 58.200 0.116 0.000 1.058 244 S CB 0.784 64.060 63.200 0.126 0.000 0.983 244 S HN 0.595 nan 8.310 nan 0.000 0.495 245 M N 3.600 123.214 119.600 0.024 0.000 2.446 245 M HA 0.075 4.555 4.480 -0.000 0.000 0.263 245 M C 1.540 177.841 176.300 0.001 0.000 1.066 245 M CA 1.429 56.729 55.300 0.001 0.000 1.087 245 M CB -0.489 32.111 32.600 -0.001 0.000 1.406 245 M HN 0.733 nan 8.290 nan 0.000 0.459 246 E N 1.392 121.598 120.200 0.010 0.000 2.085 246 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 246 E C 0.519 177.118 176.600 -0.001 0.000 0.994 246 E CA 1.568 57.969 56.400 0.002 0.000 0.801 246 E CB -0.157 29.547 29.700 0.007 0.000 0.743 246 E HN 0.690 nan 8.360 nan 0.000 0.453 247 D N 0.190 120.592 120.400 0.003 0.000 2.427 247 D HA 0.151 4.791 4.640 -0.000 0.000 0.224 247 D C 0.053 176.348 176.300 -0.008 0.000 1.157 247 D CA -0.053 53.946 54.000 -0.001 0.000 0.828 247 D CB 0.380 41.184 40.800 0.006 0.000 0.974 247 D HN 0.192 nan 8.370 nan 0.000 0.498 248 I N 3.308 123.871 120.570 -0.011 0.000 2.352 248 I HA 0.113 4.283 4.170 -0.000 0.000 0.290 248 I C -1.922 174.190 176.117 -0.009 0.000 1.036 248 I CA -1.769 59.523 61.300 -0.013 0.000 1.336 248 I CB 0.934 38.924 38.000 -0.016 0.000 1.407 248 I HN -0.302 nan 8.210 nan 0.000 0.497 249 P HA 0.021 nan 4.420 nan 0.000 0.268 249 P C 1.077 178.381 177.300 0.006 0.000 1.204 249 P CA -0.174 62.925 63.100 -0.002 0.000 0.768 249 P CB 0.941 32.641 31.700 0.000 0.000 0.842 250 V N 2.916 122.830 119.914 -0.001 0.000 2.363 250 V HA -0.303 3.817 4.120 -0.000 0.000 0.254 250 V C 2.057 178.196 176.094 0.075 0.000 1.074 250 V CA 2.404 64.706 62.300 0.003 0.000 1.069 250 V CB -1.316 30.482 31.823 -0.041 0.000 0.659 250 V HN 0.580 nan 8.190 nan 0.000 0.455 251 E N -0.020 120.214 120.200 0.058 0.000 2.208 251 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 251 E C 1.986 178.615 176.600 0.047 0.000 0.988 251 E CA 0.929 57.368 56.400 0.065 0.000 0.828 251 E CB -0.250 29.473 29.700 0.038 0.000 0.763 251 E HN 0.660 nan 8.360 nan 0.000 0.478 252 E N 0.450 120.669 120.200 0.031 0.000 2.478 252 E HA 0.185 4.535 4.350 -0.000 0.000 0.194 252 E C 0.026 176.638 176.600 0.020 0.000 1.045 252 E CA 0.018 56.428 56.400 0.016 0.000 0.868 252 E CB 0.329 30.030 29.700 0.001 0.000 0.885 252 E HN 0.176 nan 8.360 nan 0.000 0.505 253 A N 1.588 124.435 122.820 0.045 0.000 2.450 253 A HA 0.324 4.644 4.320 -0.000 0.000 0.255 253 A C -0.119 177.498 177.584 0.054 0.000 1.096 253 A CA 0.023 52.090 52.037 0.049 0.000 0.778 253 A CB 0.705 19.744 19.000 0.066 0.000 1.031 253 A HN 0.070 nan 8.150 nan 0.000 0.494 254 V N 3.201 123.126 119.914 0.018 0.000 3.156 254 V HA 0.537 4.657 4.120 -0.000 0.000 0.310 254 V C -0.656 175.424 176.094 -0.024 0.000 1.234 254 V CA -0.890 61.407 62.300 -0.004 0.000 1.065 254 V CB 2.167 33.980 31.823 -0.016 0.000 1.088 254 V HN 0.803 nan 8.190 nan 0.000 0.451 255 L N 1.539 122.734 121.223 -0.047 0.000 2.312 255 L HA 0.448 4.788 4.340 -0.000 0.000 0.281 255 L C 0.892 177.723 176.870 -0.066 0.000 1.070 255 L CA -0.069 54.719 54.840 -0.087 0.000 0.805 255 L CB 1.349 43.312 42.059 -0.161 0.000 1.174 255 L HN 0.716 nan 8.230 nan 0.000 0.434 256 T N 0.680 115.199 114.554 -0.059 0.000 3.071 256 T HA 0.279 4.629 4.350 -0.000 0.000 0.239 256 T C 0.440 175.133 174.700 -0.012 0.000 0.997 256 T CA 0.463 62.542 62.100 -0.034 0.000 1.134 256 T CB 0.771 69.623 68.868 -0.027 0.000 0.928 256 T HN 0.796 nan 8.240 nan 0.000 0.453 257 G N 0.096 108.893 108.800 -0.004 0.000 2.660 257 G HA2 0.558 4.518 3.960 -0.000 0.000 0.290 257 G HA3 0.558 4.518 3.960 -0.000 0.000 0.290 257 G C -2.084 172.851 174.900 0.057 0.000 1.432 257 G CA -0.392 44.735 45.100 0.045 0.000 0.807 257 G HN 0.123 nan 8.290 nan 0.000 0.485 258 V N 0.177 120.160 119.914 0.114 0.000 2.540 258 V HA 0.829 4.949 4.120 -0.000 0.000 0.302 258 V C 0.257 176.406 176.094 0.092 0.000 1.035 258 V CA -0.251 62.116 62.300 0.112 0.000 0.873 258 V CB 1.231 33.151 31.823 0.161 0.000 0.992 258 V HN 1.366 nan 8.190 nan 0.000 0.428 259 A N 3.302 126.168 122.820 0.076 0.000 2.413 259 A HA 0.937 5.257 4.320 -0.000 0.000 0.307 259 A C -0.447 177.168 177.584 0.052 0.000 1.087 259 A CA -0.587 51.484 52.037 0.058 0.000 0.750 259 A CB 2.212 21.243 19.000 0.052 0.000 1.296 259 A HN 0.650 nan 8.150 nan 0.000 0.423 260 T N 0.976 115.551 114.554 0.036 0.000 2.916 260 T HA 0.576 4.926 4.350 -0.000 0.000 0.298 260 T C -1.953 172.760 174.700 0.022 0.000 1.031 260 T CA -0.242 61.875 62.100 0.028 0.000 0.993 260 T CB 1.437 70.314 68.868 0.015 0.000 1.045 260 T HN 0.699 nan 8.240 nan 0.000 0.454 261 D N 1.917 122.329 120.400 0.021 0.000 2.788 261 D HA 0.335 4.975 4.640 -0.000 0.000 0.247 261 D C -0.227 176.079 176.300 0.010 0.000 1.236 261 D CA -0.599 53.411 54.000 0.016 0.000 0.898 261 D CB 1.281 42.093 40.800 0.021 0.000 1.401 261 D HN 0.439 nan 8.370 nan 0.000 0.549 262 K N 1.260 121.663 120.400 0.005 0.000 2.564 262 K HA 0.139 4.459 4.320 -0.000 0.000 0.205 262 K C 0.805 177.405 176.600 -0.000 0.000 1.053 262 K CA -0.137 56.150 56.287 -0.001 0.000 1.072 262 K CB 0.702 33.200 32.500 -0.004 0.000 0.822 262 K HN 0.256 nan 8.250 nan 0.000 0.497 263 S N -0.127 115.577 115.700 0.006 0.000 2.557 263 S HA 0.138 4.608 4.470 -0.000 0.000 0.223 263 S C 0.222 174.832 174.600 0.016 0.000 0.969 263 S CA -0.466 57.742 58.200 0.012 0.000 0.927 263 S CB 0.149 63.359 63.200 0.017 0.000 0.806 263 S HN 0.078 nan 8.310 nan 0.000 0.489 264 E N 1.419 121.622 120.200 0.005 0.000 2.212 264 E HA 0.736 5.086 4.350 -0.000 0.000 0.270 264 E C -0.599 175.980 176.600 -0.034 0.000 0.956 264 E CA -0.593 55.809 56.400 0.004 0.000 0.825 264 E CB 1.923 31.626 29.700 0.005 0.000 1.167 264 E HN 0.326 nan 8.360 nan 0.000 0.400 265 A N 1.903 124.698 122.820 -0.040 0.000 2.330 265 A HA 0.503 4.823 4.320 -0.000 0.000 0.329 265 A C -0.328 177.148 177.584 -0.180 0.000 1.135 265 A CA -0.653 51.291 52.037 -0.155 0.000 0.817 265 A CB 1.198 20.116 19.000 -0.137 0.000 1.269 265 A HN 0.358 nan 8.150 nan 0.000 0.469 266 K N 1.815 122.041 120.400 -0.290 0.000 2.307 266 K HA 0.561 4.881 4.320 -0.000 0.000 0.263 266 K C -1.777 174.606 176.600 -0.362 0.000 0.973 266 K CA -0.228 55.891 56.287 -0.280 0.000 0.846 266 K CB 1.381 33.758 32.500 -0.206 0.000 1.100 266 K HN 0.430 nan 8.250 nan 0.000 0.438 267 V N 3.391 122.979 119.914 -0.544 0.000 2.459 267 V HA 0.382 4.502 4.120 -0.000 0.000 0.295 267 V C -0.358 175.427 176.094 -0.515 0.000 1.029 267 V CA -0.563 61.397 62.300 -0.567 0.000 0.874 267 V CB 1.970 33.209 31.823 -0.974 0.000 0.985 267 V HN 0.801 nan 8.190 nan 0.000 0.438 268 T N 4.194 118.589 114.554 -0.266 0.000 2.824 268 T HA 0.564 4.914 4.350 -0.000 0.000 0.282 268 T C -0.599 174.009 174.700 -0.153 0.000 0.993 268 T CA -0.386 61.611 62.100 -0.171 0.000 0.967 268 T CB 1.704 70.507 68.868 -0.108 0.000 0.960 268 T HN 0.315 nan 8.240 nan 0.000 0.441 269 V N 5.082 124.896 119.914 -0.166 0.000 2.384 269 V HA 0.477 4.597 4.120 -0.000 0.000 0.287 269 V C -0.200 175.812 176.094 -0.137 0.000 1.020 269 V CA -0.752 61.388 62.300 -0.266 0.000 0.850 269 V CB 1.119 32.628 31.823 -0.523 0.000 0.987 269 V HN 0.715 nan 8.190 nan 0.000 0.436 270 L N 3.382 124.572 121.223 -0.056 0.000 2.344 270 L HA 0.732 5.072 4.340 -0.000 0.000 0.272 270 L C 1.179 178.105 176.870 0.094 0.000 1.035 270 L CA -0.385 54.468 54.840 0.022 0.000 0.807 270 L CB 1.450 43.528 42.059 0.031 0.000 1.237 270 L HN 0.862 nan 8.230 nan 0.000 0.442 271 G N 2.690 111.542 108.800 0.087 0.000 2.314 271 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.292 271 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.292 271 G C -0.181 174.817 174.900 0.164 0.000 1.059 271 G CA -0.251 44.916 45.100 0.112 0.000 0.982 271 G HN 0.412 nan 8.290 nan 0.000 0.505 272 I N 1.251 121.910 120.570 0.149 0.000 2.395 272 I HA 0.260 4.430 4.170 -0.000 0.000 0.289 272 I C 1.226 177.417 176.117 0.124 0.000 1.023 272 I CA -0.391 61.021 61.300 0.186 0.000 1.350 272 I CB 1.336 39.431 38.000 0.159 0.000 1.409 272 I HN 0.388 nan 8.210 nan 0.000 0.507 273 S N 2.888 118.658 115.700 0.117 0.000 2.549 273 S HA 0.039 4.509 4.470 -0.000 0.000 0.279 273 S C -0.125 174.517 174.600 0.070 0.000 1.321 273 S CA -0.807 57.439 58.200 0.077 0.000 1.054 273 S CB 1.043 64.278 63.200 0.058 0.000 0.899 273 S HN 0.582 nan 8.310 nan 0.000 0.497 274 D N 2.175 122.608 120.400 0.054 0.000 2.545 274 D HA 0.430 5.070 4.640 -0.000 0.000 0.227 274 D C 0.080 176.405 176.300 0.042 0.000 1.150 274 D CA 0.351 54.380 54.000 0.048 0.000 1.046 274 D CB -0.718 40.105 40.800 0.039 0.000 1.098 274 D HN 0.814 nan 8.370 nan 0.000 0.502 275 K N 2.048 122.476 120.400 0.048 0.000 2.527 275 K HA 0.608 4.928 4.320 -0.000 0.000 0.260 275 K C -2.969 173.658 176.600 0.045 0.000 0.937 275 K CA -1.560 54.751 56.287 0.040 0.000 0.826 275 K CB 0.198 32.719 32.500 0.035 0.000 1.359 275 K HN 0.061 nan 8.250 nan 0.000 0.434 276 P HA 0.273 nan 4.420 nan 0.000 0.265 276 P C 1.038 178.365 177.300 0.045 0.000 1.193 276 P CA 1.963 65.086 63.100 0.039 0.000 0.765 276 P CB 0.835 32.551 31.700 0.028 0.000 0.823 277 G N 2.243 111.076 108.800 0.055 0.000 2.195 277 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.246 277 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.246 277 G C 1.103 176.054 174.900 0.085 0.000 0.984 277 G CA -0.087 45.051 45.100 0.063 0.000 0.633 277 G HN 0.486 nan 8.290 nan 0.000 0.525 278 E N 0.561 120.818 120.200 0.095 0.000 2.072 278 E HA 0.108 4.458 4.350 -0.000 0.000 0.190 278 E C 2.908 179.604 176.600 0.160 0.000 0.982 278 E CA 1.364 57.843 56.400 0.130 0.000 0.803 278 E CB -0.680 29.096 29.700 0.126 0.000 0.755 278 E HN 0.831 nan 8.360 nan 0.000 0.453 279 A N 1.799 124.709 122.820 0.151 0.000 1.917 279 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 279 A C 2.438 180.176 177.584 0.256 0.000 1.182 279 A CA 2.349 54.511 52.037 0.208 0.000 0.633 279 A CB -0.667 18.461 19.000 0.214 0.000 0.819 279 A HN 0.271 nan 8.150 nan 0.000 0.448 280 A N -0.356 122.578 122.820 0.190 0.000 1.933 280 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 280 A C 2.081 179.749 177.584 0.140 0.000 1.175 280 A CA 1.923 54.063 52.037 0.171 0.000 0.628 280 A CB -0.444 18.620 19.000 0.107 0.000 0.814 280 A HN 0.582 nan 8.150 nan 0.000 0.444 281 K N -0.439 120.042 120.400 0.134 0.000 2.032 281 K HA -0.122 4.198 4.320 -0.000 0.000 0.209 281 K C 1.871 178.548 176.600 0.128 0.000 1.048 281 K CA 1.616 57.990 56.287 0.145 0.000 0.927 281 K CB -0.496 32.121 32.500 0.195 0.000 0.712 281 K HN 0.312 nan 8.250 nan 0.000 0.441 282 V N 0.678 120.606 119.914 0.023 0.000 2.255 282 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 282 V C 2.015 177.809 176.094 -0.499 0.000 1.051 282 V CA 1.898 63.976 62.300 -0.369 0.000 1.018 282 V CB -0.545 30.763 31.823 -0.859 0.000 0.641 282 V HN 0.177 nan 8.190 nan 0.000 0.445 283 F N -0.981 118.926 119.950 -0.073 0.000 2.473 283 F HA 0.114 4.641 4.527 -0.000 0.000 0.294 283 F C 2.499 178.259 175.800 -0.066 0.000 1.103 283 F CA 0.552 58.479 58.000 -0.122 0.000 1.442 283 F CB -0.498 38.425 39.000 -0.128 0.000 1.097 283 F HN -0.106 nan 8.300 nan 0.000 0.547 284 R N 0.960 121.527 120.500 0.111 0.000 2.083 284 R HA -0.129 4.211 4.340 -0.000 0.000 0.237 284 R C 2.317 178.641 176.300 0.040 0.000 1.137 284 R CA 1.528 57.669 56.100 0.069 0.000 0.951 284 R CB -0.994 29.344 30.300 0.062 0.000 0.851 284 R HN 0.296 nan 8.270 nan 0.000 0.434 285 A N 0.685 123.522 122.820 0.028 0.000 1.933 285 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 285 A C 2.438 180.023 177.584 0.001 0.000 1.175 285 A CA 1.133 53.185 52.037 0.025 0.000 0.628 285 A CB -0.451 18.584 19.000 0.058 0.000 0.814 285 A HN 0.284 nan 8.150 nan 0.000 0.444 286 L N -1.065 120.131 121.223 -0.044 0.000 2.072 286 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 286 L C 3.085 179.953 176.870 -0.002 0.000 1.079 286 L CA 0.927 55.737 54.840 -0.050 0.000 0.752 286 L CB -0.512 41.448 42.059 -0.165 0.000 0.906 286 L HN 0.413 nan 8.230 nan 0.000 0.436 287 A N -0.120 122.712 122.820 0.019 0.000 1.898 287 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 287 A C 1.868 179.466 177.584 0.022 0.000 1.181 287 A CA 1.890 53.943 52.037 0.026 0.000 0.620 287 A CB -0.543 18.479 19.000 0.036 0.000 0.819 287 A HN 0.322 nan 8.150 nan 0.000 0.442 288 D N -0.028 120.386 120.400 0.022 0.000 2.265 288 D HA -0.014 4.626 4.640 -0.000 0.000 0.208 288 D C 1.605 177.916 176.300 0.019 0.000 0.977 288 D CA 1.320 55.332 54.000 0.020 0.000 0.871 288 D CB -0.159 40.654 40.800 0.021 0.000 0.925 288 D HN 0.446 nan 8.370 nan 0.000 0.485 289 A N -0.386 122.446 122.820 0.019 0.000 2.379 289 A HA 0.427 4.747 4.320 -0.000 0.000 0.236 289 A C 1.042 178.639 177.584 0.023 0.000 1.272 289 A CA 1.081 53.130 52.037 0.021 0.000 0.886 289 A CB -0.624 18.390 19.000 0.023 0.000 0.962 289 A HN 0.142 nan 8.150 nan 0.000 0.504 290 E N -0.683 119.530 120.200 0.022 0.000 2.586 290 E HA -0.226 4.124 4.350 -0.000 0.000 0.259 290 E C -0.087 176.531 176.600 0.031 0.000 1.107 290 E CA 1.356 57.771 56.400 0.024 0.000 0.754 290 E CB -2.923 26.790 29.700 0.022 0.000 1.335 290 E HN 0.802 nan 8.360 nan 0.000 0.411 291 I N 0.789 121.379 120.570 0.033 0.000 2.352 291 I HA 0.230 4.400 4.170 -0.000 0.000 0.290 291 I C 0.467 176.615 176.117 0.051 0.000 1.036 291 I CA -0.834 60.497 61.300 0.051 0.000 1.336 291 I CB 1.227 39.264 38.000 0.062 0.000 1.407 291 I HN 0.205 nan 8.210 nan 0.000 0.497 292 N N 7.448 126.188 118.700 0.066 0.000 2.416 292 N HA 0.191 4.931 4.740 -0.000 0.000 0.265 292 N C -0.587 174.976 175.510 0.088 0.000 1.195 292 N CA -0.034 53.053 53.050 0.062 0.000 0.943 292 N CB 0.457 38.979 38.487 0.059 0.000 1.115 292 N HN 0.316 nan 8.380 nan 0.000 0.481 293 I N 1.737 122.341 120.570 0.058 0.000 2.297 293 I HA 0.180 4.350 4.170 -0.000 0.000 0.291 293 I C 0.534 176.689 176.117 0.064 0.000 1.033 293 I CA -0.593 60.753 61.300 0.077 0.000 1.253 293 I CB 0.592 38.588 38.000 -0.006 0.000 1.396 293 I HN 0.370 nan 8.210 nan 0.000 0.476 294 D N 6.601 127.068 120.400 0.112 0.000 2.268 294 D HA 0.346 4.986 4.640 -0.000 0.000 0.249 294 D C 0.284 176.639 176.300 0.091 0.000 1.008 294 D CA -0.627 53.418 54.000 0.075 0.000 0.939 294 D CB 1.439 42.283 40.800 0.074 0.000 1.170 294 D HN 0.514 nan 8.370 nan 0.000 0.468 295 M N 1.535 121.166 119.600 0.050 0.000 4.043 295 M HA -0.221 4.259 4.480 -0.000 0.000 0.158 295 M C -1.694 174.667 176.300 0.101 0.000 1.532 295 M CA 0.357 55.688 55.300 0.052 0.000 1.096 295 M CB -0.524 32.105 32.600 0.047 0.000 1.347 295 M HN 0.198 nan 8.290 nan 0.000 0.194 296 V N 7.195 127.146 119.914 0.062 0.000 2.735 296 V HA 0.898 5.018 4.120 -0.000 0.000 0.310 296 V C -1.541 174.596 176.094 0.072 0.000 1.061 296 V CA -0.801 61.571 62.300 0.121 0.000 0.913 296 V CB 2.272 34.127 31.823 0.054 0.000 1.005 296 V HN 0.916 nan 8.190 nan 0.000 0.428 297 L N 5.210 126.495 121.223 0.105 0.000 2.436 297 L HA 0.666 5.006 4.340 -0.000 0.000 0.268 297 L C -0.887 176.026 176.870 0.071 0.000 0.974 297 L CA -0.247 54.630 54.840 0.061 0.000 0.826 297 L CB 1.943 44.027 42.059 0.041 0.000 1.291 297 L HN 0.895 nan 8.230 nan 0.000 0.406 298 Q N 3.408 123.238 119.800 0.050 0.000 2.271 298 Q HA 0.398 4.738 4.340 -0.000 0.000 0.268 298 Q C -1.734 174.283 176.000 0.029 0.000 1.021 298 Q CA -0.669 55.164 55.803 0.049 0.000 0.802 298 Q CB 2.159 30.935 28.738 0.064 0.000 1.282 298 Q HN 0.564 nan 8.270 nan 0.000 0.431 299 N N 1.687 120.402 118.700 0.024 0.000 2.485 299 N HA 0.322 5.062 4.740 -0.000 0.000 0.280 299 N C -0.978 174.543 175.510 0.018 0.000 1.205 299 N CA -0.529 52.531 53.050 0.016 0.000 0.959 299 N CB 1.909 40.403 38.487 0.011 0.000 1.206 299 N HN 0.486 nan 8.380 nan 0.000 0.545 300 V N 1.838 121.760 119.914 0.014 0.000 2.752 300 V HA 0.120 4.240 4.120 -0.000 0.000 0.306 300 V C 0.586 176.690 176.094 0.018 0.000 1.099 300 V CA 0.217 62.526 62.300 0.015 0.000 1.240 300 V CB -1.160 30.669 31.823 0.010 0.000 0.887 300 V HN 0.413 nan 8.190 nan 0.000 0.499 301 F N 5.580 125.542 119.950 0.020 0.000 2.607 301 F HA 0.549 5.076 4.527 -0.000 0.000 0.374 301 F C 0.725 176.536 175.800 0.018 0.000 1.104 301 F CA 0.344 58.357 58.000 0.022 0.000 1.296 301 F CB -0.071 38.943 39.000 0.024 0.000 1.085 301 F HN 0.845 nan 8.300 nan 0.000 0.584 306 G N 0.459 109.274 108.800 0.024 0.000 3.353 306 G HA2 0.515 4.475 3.960 -0.000 0.000 0.247 306 G HA3 0.515 4.475 3.960 -0.000 0.000 0.247 306 G C 0.481 175.401 174.900 0.034 0.000 1.025 306 G CA 1.284 46.400 45.100 0.026 0.000 1.863 306 G HN 1.344 nan 8.290 nan 0.000 0.635 307 T N -2.798 111.778 114.554 0.036 0.000 2.868 307 T HA 0.740 5.090 4.350 -0.000 0.000 0.306 307 T C -0.218 174.508 174.700 0.044 0.000 1.224 307 T CA -0.154 61.975 62.100 0.047 0.000 1.012 307 T CB 2.404 71.305 68.868 0.054 0.000 1.221 307 T HN 0.386 nan 8.240 nan 0.000 0.499 308 T N -1.159 113.426 114.554 0.052 0.000 2.773 308 T HA 0.757 5.107 4.350 -0.000 0.000 0.278 308 T C -1.593 173.134 174.700 0.046 0.000 1.011 308 T CA -0.761 61.365 62.100 0.044 0.000 1.014 308 T CB 1.911 70.806 68.868 0.045 0.000 1.293 308 T HN 0.745 nan 8.240 nan 0.000 0.554 309 D N -0.104 120.317 120.400 0.035 0.000 2.645 309 D HA 0.556 5.196 4.640 -0.000 0.000 0.228 309 D C -0.905 175.409 176.300 0.024 0.000 1.148 309 D CA -0.401 53.611 54.000 0.019 0.000 0.860 309 D CB 2.488 43.294 40.800 0.010 0.000 1.548 309 D HN 0.563 nan 8.370 nan 0.000 0.460 310 I N 0.999 121.573 120.570 0.007 0.000 2.533 310 I HA 0.220 4.390 4.170 -0.000 0.000 0.290 310 I C 0.055 176.210 176.117 0.064 0.000 1.056 310 I CA -0.531 60.805 61.300 0.060 0.000 1.057 310 I CB 2.319 40.371 38.000 0.088 0.000 1.240 310 I HN 0.340 nan 8.210 nan 0.000 0.423 311 T N 3.224 117.836 114.554 0.096 0.000 2.932 311 T HA 0.848 5.198 4.350 -0.000 0.000 0.289 311 T C -0.762 174.059 174.700 0.202 0.000 1.039 311 T CA -0.570 61.555 62.100 0.042 0.000 1.024 311 T CB 1.944 70.791 68.868 -0.036 0.000 1.090 311 T HN 0.439 nan 8.240 nan 0.000 0.496 312 F N -1.237 118.737 119.950 0.040 0.000 2.678 312 F HA 0.694 5.221 4.527 -0.000 0.000 0.308 312 F C -0.525 175.303 175.800 0.046 0.000 1.118 312 F CA -1.122 56.923 58.000 0.074 0.000 0.959 312 F CB 0.889 39.993 39.000 0.175 0.000 1.305 312 F HN 0.807 nan 8.300 nan 0.000 0.443 313 T N -0.039 114.623 114.554 0.181 0.000 2.907 313 T HA 0.729 5.079 4.350 -0.000 0.000 0.284 313 T C -0.275 174.565 174.700 0.234 0.000 1.004 313 T CA -0.474 61.677 62.100 0.086 0.000 1.063 313 T CB 1.255 70.152 68.868 0.048 0.000 0.992 313 T HN 1.428 nan 8.240 nan 0.000 0.483 314 C N -0.248 119.149 119.300 0.162 0.000 3.173 314 C HA 0.809 5.269 4.460 -0.000 0.000 0.310 314 C C -3.119 171.942 174.990 0.118 0.000 1.306 314 C CA -2.614 56.521 59.018 0.195 0.000 1.426 314 C CB 0.898 28.819 27.740 0.301 0.000 1.800 314 C HN 0.629 nan 8.230 nan 0.000 0.470 315 P HA 0.150 nan 4.420 nan 0.000 0.265 315 P C 0.673 178.027 177.300 0.091 0.000 1.187 315 P CA 0.417 63.564 63.100 0.077 0.000 0.766 315 P CB 0.404 32.145 31.700 0.068 0.000 0.820 316 R N 1.474 122.018 120.500 0.074 0.000 2.170 316 R HA -0.132 4.208 4.340 -0.000 0.000 0.242 316 R C 2.003 178.366 176.300 0.104 0.000 1.145 316 R CA 1.883 58.040 56.100 0.095 0.000 0.984 316 R CB -0.599 29.738 30.300 0.061 0.000 0.869 316 R HN 0.540 nan 8.270 nan 0.000 0.455 317 S N 0.929 116.674 115.700 0.075 0.000 2.383 317 S HA -0.129 4.341 4.470 -0.000 0.000 0.229 317 S C 1.038 175.677 174.600 0.066 0.000 1.030 317 S CA 1.361 59.598 58.200 0.061 0.000 1.002 317 S CB -0.105 63.123 63.200 0.047 0.000 0.829 317 S HN 0.302 nan 8.310 nan 0.000 0.467 318 D N 0.988 121.439 120.400 0.086 0.000 2.348 318 D HA 0.157 4.797 4.640 -0.000 0.000 0.211 318 D C 2.034 178.395 176.300 0.102 0.000 0.998 318 D CA 0.571 54.624 54.000 0.089 0.000 0.873 318 D CB -0.656 40.209 40.800 0.107 0.000 0.925 318 D HN 0.444 nan 8.370 nan 0.000 0.524 319 G N 0.789 109.676 108.800 0.145 0.000 2.450 319 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.220 319 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.220 319 G C 1.751 176.564 174.900 -0.145 0.000 1.130 319 G CA 0.305 45.529 45.100 0.206 0.000 0.760 319 G HN 0.146 nan 8.290 nan 0.000 0.557 320 R N 0.360 120.778 120.500 -0.136 0.000 2.057 320 R HA 0.057 4.397 4.340 -0.000 0.000 0.229 320 R C 2.605 178.833 176.300 -0.121 0.000 1.136 320 R CA 1.274 57.249 56.100 -0.208 0.000 0.952 320 R CB -0.494 29.741 30.300 -0.108 0.000 0.848 320 R HN 0.347 nan 8.270 nan 0.000 0.430 321 R N 0.120 120.594 120.500 -0.043 0.000 2.105 321 R HA -0.110 4.230 4.340 -0.000 0.000 0.239 321 R C 2.100 178.404 176.300 0.007 0.000 1.135 321 R CA 1.697 57.790 56.100 -0.011 0.000 0.967 321 R CB -0.277 30.031 30.300 0.013 0.000 0.861 321 R HN 0.261 nan 8.270 nan 0.000 0.442 322 A N 0.363 123.203 122.820 0.033 0.000 1.902 322 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 322 A C 2.112 179.731 177.584 0.058 0.000 1.181 322 A CA 1.350 53.446 52.037 0.097 0.000 0.623 322 A CB -0.341 18.797 19.000 0.230 0.000 0.818 322 A HN 0.270 nan 8.150 nan 0.000 0.443 323 M N -0.427 119.147 119.600 -0.043 0.000 2.175 323 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 323 M C 1.914 178.199 176.300 -0.025 0.000 1.063 323 M CA 1.412 56.669 55.300 -0.073 0.000 1.119 323 M CB -1.284 31.168 32.600 -0.247 0.000 1.377 323 M HN 0.551 nan 8.290 nan 0.000 0.415 324 E N 0.143 120.323 120.200 -0.033 0.000 2.031 324 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 324 E C 2.034 178.654 176.600 0.033 0.000 0.994 324 E CA 1.032 57.429 56.400 -0.005 0.000 0.800 324 E CB -0.012 29.680 29.700 -0.014 0.000 0.752 324 E HN 0.284 nan 8.360 nan 0.000 0.447 325 I N 0.842 121.437 120.570 0.042 0.000 2.118 325 I HA -0.263 3.907 4.170 -0.000 0.000 0.241 325 I C 2.353 178.546 176.117 0.126 0.000 1.070 325 I CA 1.283 62.623 61.300 0.068 0.000 1.327 325 I CB -0.934 37.102 38.000 0.060 0.000 1.034 325 I HN 0.174 nan 8.210 nan 0.000 0.405 326 L N 0.374 121.683 121.223 0.143 0.000 2.056 326 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 326 L C 2.416 179.492 176.870 0.343 0.000 1.078 326 L CA 1.591 56.584 54.840 0.256 0.000 0.749 326 L CB -1.093 41.022 42.059 0.093 0.000 0.901 326 L HN 0.160 nan 8.230 nan 0.000 0.433 327 K N 0.375 120.886 120.400 0.185 0.000 2.148 327 K HA -0.156 4.164 4.320 -0.000 0.000 0.204 327 K C 1.909 178.583 176.600 0.123 0.000 1.050 327 K CA 1.040 57.422 56.287 0.158 0.000 0.942 327 K CB -0.028 32.517 32.500 0.075 0.000 0.724 327 K HN 0.476 nan 8.250 nan 0.000 0.446 328 K N 0.390 120.845 120.400 0.091 0.000 2.418 328 K HA 0.025 4.345 4.320 -0.000 0.000 0.195 328 K C 1.621 178.226 176.600 0.008 0.000 1.035 328 K CA 0.475 56.785 56.287 0.039 0.000 1.003 328 K CB 0.076 32.590 32.500 0.024 0.000 0.793 328 K HN 0.048 nan 8.250 nan 0.000 0.494 329 L N 1.231 122.480 121.223 0.044 0.000 2.558 329 L HA 0.055 4.395 4.340 -0.000 0.000 0.225 329 L C 2.660 179.285 176.870 -0.409 0.000 1.128 329 L CA 0.275 55.040 54.840 -0.125 0.000 0.868 329 L CB -0.199 41.837 42.059 -0.038 0.000 1.006 329 L HN 0.350 nan 8.230 nan 0.000 0.454 330 Q N 1.596 121.324 119.800 -0.121 0.000 2.046 330 Q HA -0.105 4.235 4.340 -0.000 0.000 0.200 330 Q C 1.219 177.100 176.000 -0.198 0.000 0.975 330 Q CA 1.310 57.001 55.803 -0.188 0.000 0.836 330 Q CB -0.067 28.793 28.738 0.203 0.000 0.896 330 Q HN 0.344 nan 8.270 nan 0.000 0.428 331 V N 0.976 120.826 119.914 -0.105 0.000 3.061 331 V HA -0.172 3.948 4.120 -0.000 0.000 0.306 331 V C 0.479 176.471 176.094 -0.170 0.000 1.118 331 V CA 1.375 63.613 62.300 -0.103 0.000 1.231 331 V CB -0.279 31.508 31.823 -0.060 0.000 0.956 331 V HN 0.752 nan 8.190 nan 0.000 0.499 332 Q N 2.004 121.721 119.800 -0.139 0.000 2.385 332 Q HA -0.168 4.172 4.340 -0.000 0.000 0.215 332 Q C 1.169 177.050 176.000 -0.198 0.000 0.671 332 Q CA 1.427 57.136 55.803 -0.156 0.000 1.335 332 Q CB -2.094 26.542 28.738 -0.169 0.000 1.425 332 Q HN 2.795 nan 8.270 nan 0.000 0.781 333 G N -0.285 108.391 108.800 -0.206 0.000 2.184 333 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.264 333 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.264 333 G C 0.540 175.297 174.900 -0.240 0.000 0.975 333 G CA 0.461 45.456 45.100 -0.174 0.000 0.642 333 G HN 0.364 nan 8.290 nan 0.000 0.536 334 N N -0.357 118.056 118.700 -0.478 0.000 2.364 334 N HA 0.035 4.775 4.740 -0.000 0.000 0.183 334 N C 0.562 175.876 175.510 -0.327 0.000 1.022 334 N CA 1.778 54.452 53.050 -0.626 0.000 0.883 334 N CB -0.235 37.468 38.487 -1.307 0.000 0.965 334 N HN 0.947 nan 8.380 nan 0.000 0.438 335 W N -2.948 118.351 121.300 -0.002 0.000 3.499 335 W HA 0.235 4.895 4.660 0.000 0.000 0.288 335 W C 0.788 177.309 176.519 0.003 0.000 1.258 335 W CA -0.813 56.533 57.345 0.002 0.000 1.203 335 W CB -0.528 28.933 29.460 0.002 0.000 1.325 335 W HN -0.224 nan 8.180 nan 0.000 0.564 336 T N -2.153 112.544 114.554 0.238 0.000 2.995 336 T HA 0.058 4.408 4.350 -0.000 0.000 0.269 336 T C 0.280 175.066 174.700 0.143 0.000 1.091 336 T CA 1.701 63.885 62.100 0.140 0.000 1.128 336 T CB -0.206 68.718 68.868 0.094 0.000 0.891 336 T HN 0.509 nan 8.240 nan 0.000 0.492 337 N N -1.206 117.607 118.700 0.189 0.000 3.348 337 N HA 0.380 5.120 4.740 -0.000 0.000 0.233 337 N C -2.443 173.133 175.510 0.110 0.000 1.440 337 N CA -0.488 52.643 53.050 0.136 0.000 0.887 337 N CB 1.773 40.305 38.487 0.074 0.000 1.410 337 N HN 0.110 nan 8.380 nan 0.000 0.502 338 V N 2.572 122.526 119.914 0.066 0.000 2.577 338 V HA 0.508 4.628 4.120 -0.000 0.000 0.294 338 V C -1.216 174.884 176.094 0.009 0.000 1.052 338 V CA -0.544 61.753 62.300 -0.004 0.000 0.891 338 V CB 0.804 32.620 31.823 -0.012 0.000 1.017 338 V HN 0.586 nan 8.190 nan 0.000 0.436 339 L N 6.265 127.480 121.223 -0.015 0.000 2.375 339 L HA 0.592 4.932 4.340 -0.000 0.000 0.271 339 L C -0.836 176.060 176.870 0.043 0.000 1.107 339 L CA -0.681 54.164 54.840 0.008 0.000 0.806 339 L CB 1.224 43.268 42.059 -0.025 0.000 1.146 339 L HN 0.727 nan 8.230 nan 0.000 0.447 340 Y N 1.483 121.736 120.300 -0.079 0.000 2.442 340 Y HA 0.454 5.004 4.550 -0.000 0.000 0.344 340 Y C -1.229 174.628 175.900 -0.071 0.000 0.976 340 Y CA -1.114 56.933 58.100 -0.089 0.000 1.040 340 Y CB 1.787 40.211 38.460 -0.061 0.000 1.228 340 Y HN 0.546 nan 8.280 nan 0.000 0.451 341 D N 4.467 124.422 120.400 -0.742 0.000 2.478 341 D HA 0.162 4.802 4.640 -0.000 0.000 0.240 341 D C -1.170 174.742 176.300 -0.645 0.000 1.364 341 D CA -0.478 53.205 54.000 -0.530 0.000 0.987 341 D CB 0.846 41.480 40.800 -0.276 0.000 1.328 341 D HN 0.683 nan 8.370 nan 0.000 0.584 342 D N 2.177 122.235 120.400 -0.569 0.000 2.525 342 D HA 0.055 4.695 4.640 -0.000 0.000 0.229 342 D C 0.154 176.360 176.300 -0.156 0.000 1.202 342 D CA -0.070 53.725 54.000 -0.342 0.000 0.828 342 D CB 0.186 40.869 40.800 -0.195 0.000 1.008 342 D HN 0.388 nan 8.370 nan 0.000 0.493 343 Q N 0.221 119.935 119.800 -0.142 0.000 2.129 343 Q HA 0.251 4.591 4.340 -0.000 0.000 0.274 343 Q C -0.844 175.114 176.000 -0.071 0.000 0.854 343 Q CA -0.256 55.498 55.803 -0.081 0.000 1.123 343 Q CB 2.041 30.742 28.738 -0.061 0.000 1.226 343 Q HN 0.106 nan 8.270 nan 0.000 0.454 344 V N 0.202 120.065 119.914 -0.085 0.000 2.472 344 V HA 0.800 4.920 4.120 -0.000 0.000 0.290 344 V C -0.075 175.994 176.094 -0.041 0.000 1.037 344 V CA -0.259 62.002 62.300 -0.066 0.000 0.908 344 V CB 1.432 33.201 31.823 -0.090 0.000 0.985 344 V HN 0.332 nan 8.190 nan 0.000 0.454 345 G N 4.498 113.285 108.800 -0.022 0.000 2.453 345 G HA2 0.587 4.547 3.960 -0.000 0.000 0.323 345 G HA3 0.587 4.547 3.960 -0.000 0.000 0.323 345 G C -1.309 173.596 174.900 0.008 0.000 1.198 345 G CA -0.770 44.326 45.100 -0.007 0.000 0.959 345 G HN 0.763 nan 8.290 nan 0.000 0.482 346 K N 0.496 120.907 120.400 0.018 0.000 2.274 346 K HA 0.606 4.926 4.320 -0.000 0.000 0.262 346 K C -1.357 175.275 176.600 0.053 0.000 0.961 346 K CA -0.650 55.659 56.287 0.036 0.000 0.833 346 K CB 2.093 34.611 32.500 0.030 0.000 1.102 346 K HN 0.355 nan 8.250 nan 0.000 0.436 347 V N 3.412 123.378 119.914 0.087 0.000 2.531 347 V HA 0.593 4.713 4.120 -0.000 0.000 0.301 347 V C -1.431 174.775 176.094 0.186 0.000 1.034 347 V CA -0.187 62.176 62.300 0.106 0.000 0.865 347 V CB 2.001 33.870 31.823 0.077 0.000 0.995 347 V HN 0.891 nan 8.190 nan 0.000 0.424 348 S N 6.294 122.092 115.700 0.163 0.000 2.599 348 S HA 0.810 5.280 4.470 -0.000 0.000 0.294 348 S C -1.105 173.620 174.600 0.208 0.000 1.094 348 S CA -0.579 57.739 58.200 0.197 0.000 0.931 348 S CB 1.857 65.117 63.200 0.100 0.000 1.093 348 S HN 0.900 nan 8.310 nan 0.000 0.488 349 L N 2.637 124.006 121.223 0.244 0.000 2.356 349 L HA 0.856 5.196 4.340 -0.000 0.000 0.277 349 L C -0.803 176.079 176.870 0.021 0.000 0.996 349 L CA -0.593 54.319 54.840 0.120 0.000 0.822 349 L CB 1.556 43.709 42.059 0.157 0.000 1.256 349 L HN 0.573 nan 8.230 nan 0.000 0.413 350 V N 3.606 123.511 119.914 -0.015 0.000 2.864 350 V HA 1.089 5.209 4.120 -0.000 0.000 0.314 350 V C -0.421 175.640 176.094 -0.055 0.000 1.073 350 V CA 0.360 62.642 62.300 -0.030 0.000 0.956 350 V CB 1.695 33.514 31.823 -0.005 0.000 1.023 350 V HN 1.239 nan 8.190 nan 0.000 0.435 351 G N 2.847 111.617 108.800 -0.050 0.000 2.169 351 G HA2 0.581 4.541 3.960 -0.000 0.000 0.286 351 G HA3 0.581 4.541 3.960 -0.000 0.000 0.286 351 G C 0.212 175.094 174.900 -0.029 0.000 1.742 351 G CA 0.012 45.084 45.100 -0.047 0.000 0.904 351 G HN 1.727 nan 8.290 nan 0.000 0.735 352 A N 0.893 123.704 122.820 -0.016 0.000 2.042 352 A HA 0.119 4.439 4.320 -0.000 0.000 0.222 352 A C 2.725 180.320 177.584 0.018 0.000 1.167 352 A CA 2.952 54.986 52.037 -0.005 0.000 0.649 352 A CB -0.645 18.351 19.000 -0.006 0.000 0.809 352 A HN 2.050 nan 8.150 nan 0.000 0.457 353 G N 0.578 109.401 108.800 0.038 0.000 2.503 353 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.221 353 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.221 353 G C 1.589 176.607 174.900 0.197 0.000 1.131 353 G CA 1.513 46.690 45.100 0.128 0.000 0.756 353 G HN 0.836 nan 8.290 nan 0.000 0.572 354 M N -0.322 119.318 119.600 0.066 0.000 2.562 354 M HA 0.318 4.798 4.480 -0.000 0.000 0.257 354 M C 2.184 178.497 176.300 0.022 0.000 1.099 354 M CA 1.570 56.902 55.300 0.054 0.000 1.099 354 M CB -0.097 32.493 32.600 -0.016 0.000 1.427 354 M HN 0.130 nan 8.290 nan 0.000 0.489 355 K N 1.119 121.515 120.400 -0.007 0.000 2.032 355 K HA -0.094 4.226 4.320 -0.000 0.000 0.209 355 K C 1.204 177.755 176.600 -0.082 0.000 1.048 355 K CA 1.972 58.234 56.287 -0.042 0.000 0.927 355 K CB -0.019 32.454 32.500 -0.045 0.000 0.712 355 K HN 0.401 nan 8.250 nan 0.000 0.441 356 S N -0.714 114.880 115.700 -0.176 0.000 2.540 356 S HA 0.099 4.569 4.470 -0.000 0.000 0.218 356 S C -0.871 173.505 174.600 -0.373 0.000 0.977 356 S CA -0.331 57.694 58.200 -0.292 0.000 0.918 356 S CB 0.192 63.162 63.200 -0.385 0.000 0.806 356 S HN 0.323 nan 8.310 nan 0.000 0.496 357 H N 0.819 119.888 119.070 -0.001 0.000 2.638 357 H HA 0.276 4.832 4.556 -0.000 0.000 0.317 357 H C -1.947 173.390 175.328 0.014 0.000 1.006 357 H CA -1.827 54.227 56.048 0.009 0.000 1.222 357 H CB 1.277 31.047 29.762 0.014 0.000 1.419 357 H HN -0.032 nan 8.280 nan 0.000 0.489 358 P HA -0.116 nan 4.420 nan 0.000 0.221 358 P C 1.602 178.953 177.300 0.085 0.000 1.145 358 P CA 0.980 64.127 63.100 0.078 0.000 0.795 358 P CB 0.337 32.073 31.700 0.060 0.000 0.775 359 G N -0.676 108.189 108.800 0.108 0.000 2.813 359 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.209 359 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.209 359 G C 1.445 176.430 174.900 0.142 0.000 1.150 359 G CA 0.204 45.366 45.100 0.102 0.000 0.785 359 G HN 0.297 nan 8.290 nan 0.000 0.535 360 V N 0.800 120.807 119.914 0.155 0.000 2.346 360 V HA -0.107 4.013 4.120 -0.000 0.000 0.244 360 V C 2.845 179.091 176.094 0.252 0.000 1.037 360 V CA 2.891 65.329 62.300 0.229 0.000 1.029 360 V CB -0.681 31.209 31.823 0.113 0.000 0.663 360 V HN 0.349 nan 8.190 nan 0.000 0.454 361 T N 1.264 115.890 114.554 0.120 0.000 2.653 361 T HA -0.238 4.112 4.350 -0.000 0.000 0.268 361 T C 2.045 176.841 174.700 0.159 0.000 1.035 361 T CA 2.026 64.171 62.100 0.076 0.000 1.154 361 T CB -0.827 68.036 68.868 -0.008 0.000 0.862 361 T HN 0.732 nan 8.240 nan 0.000 0.441 362 A N 1.600 124.499 122.820 0.132 0.000 1.859 362 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 362 A C 2.262 179.931 177.584 0.142 0.000 1.198 362 A CA 2.026 54.132 52.037 0.116 0.000 0.629 362 A CB -0.808 18.239 19.000 0.079 0.000 0.830 362 A HN 0.584 nan 8.150 nan 0.000 0.446 363 E N -1.514 118.785 120.200 0.165 0.000 2.058 363 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 363 E C 1.816 178.506 176.600 0.150 0.000 0.997 363 E CA 1.418 57.868 56.400 0.084 0.000 0.801 363 E CB -0.289 29.415 29.700 0.007 0.000 0.746 363 E HN 0.706 nan 8.360 nan 0.000 0.450 364 F N 0.793 120.893 119.950 0.250 0.000 2.069 364 F HA -0.310 4.217 4.527 0.000 0.000 0.298 364 F C 2.286 178.156 175.800 0.115 0.000 1.113 364 F CA 1.282 59.444 58.000 0.270 0.000 1.214 364 F CB 0.019 39.174 39.000 0.259 0.000 0.978 364 F HN 0.001 nan 8.300 nan 0.000 0.474 365 M N 0.471 120.365 119.600 0.489 0.000 2.086 365 M HA -0.207 4.273 4.480 -0.000 0.000 0.261 365 M C 2.035 178.421 176.300 0.143 0.000 1.067 365 M CA 1.652 57.134 55.300 0.304 0.000 1.116 365 M CB -1.517 31.195 32.600 0.187 0.000 1.348 365 M HN 0.273 nan 8.290 nan 0.000 0.407 366 E N 0.321 120.580 120.200 0.097 0.000 2.085 366 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 366 E C 2.104 178.696 176.600 -0.014 0.000 0.994 366 E CA 1.374 57.791 56.400 0.029 0.000 0.801 366 E CB -0.182 29.523 29.700 0.009 0.000 0.743 366 E HN 0.524 nan 8.360 nan 0.000 0.453 367 A N 0.860 123.652 122.820 -0.048 0.000 1.883 367 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 367 A C 2.071 179.608 177.584 -0.079 0.000 1.186 367 A CA 1.227 53.201 52.037 -0.105 0.000 0.624 367 A CB -0.434 18.456 19.000 -0.183 0.000 0.822 367 A HN 0.108 nan 8.150 nan 0.000 0.444 368 L N 0.037 121.222 121.223 -0.063 0.000 2.093 368 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 368 L C 2.601 179.465 176.870 -0.009 0.000 1.085 368 L CA 2.204 57.020 54.840 -0.040 0.000 0.755 368 L CB -0.911 41.143 42.059 -0.009 0.000 0.904 368 L HN 0.671 nan 8.230 nan 0.000 0.435 369 R N -0.701 119.804 120.500 0.008 0.000 2.120 369 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 369 R C 1.414 177.710 176.300 -0.007 0.000 1.123 369 R CA 1.778 57.883 56.100 0.008 0.000 0.975 369 R CB -0.554 29.756 30.300 0.017 0.000 0.866 369 R HN 0.213 nan 8.270 nan 0.000 0.446 370 D N 0.236 120.624 120.400 -0.019 0.000 2.289 370 D HA 0.065 4.705 4.640 -0.000 0.000 0.207 370 D C 0.387 176.672 176.300 -0.025 0.000 0.966 370 D CA 0.490 54.476 54.000 -0.024 0.000 0.868 370 D CB 0.247 41.027 40.800 -0.033 0.000 0.943 370 D HN 0.061 nan 8.370 nan 0.000 0.514 371 V N 1.114 121.011 119.914 -0.029 0.000 3.170 371 V HA 0.143 4.263 4.120 -0.000 0.000 0.309 371 V C 0.987 177.071 176.094 -0.017 0.000 1.071 371 V CA -0.610 61.675 62.300 -0.024 0.000 1.063 371 V CB 1.302 33.108 31.823 -0.029 0.000 1.123 371 V HN 0.007 nan 8.190 nan 0.000 0.464 372 N N 1.416 120.109 118.700 -0.013 0.000 2.920 372 N HA 0.196 4.936 4.740 -0.000 0.000 0.310 372 N C -0.683 174.826 175.510 -0.003 0.000 1.384 372 N CA 0.121 53.167 53.050 -0.007 0.000 1.083 372 N CB 1.213 39.696 38.487 -0.007 0.000 1.389 372 N HN 0.510 nan 8.380 nan 0.000 0.521 373 V N 0.546 120.459 119.914 -0.001 0.000 2.435 373 V HA 0.457 4.577 4.120 -0.000 0.000 0.290 373 V C -0.280 175.824 176.094 0.017 0.000 1.030 373 V CA -0.817 61.485 62.300 0.005 0.000 0.881 373 V CB 1.751 33.574 31.823 0.001 0.000 0.983 373 V HN 0.184 nan 8.190 nan 0.000 0.445 374 N N 5.529 124.239 118.700 0.017 0.000 2.479 374 N HA 0.437 5.177 4.740 -0.000 0.000 0.285 374 N C -0.606 174.924 175.510 0.033 0.000 1.075 374 N CA -0.670 52.393 53.050 0.022 0.000 0.967 374 N CB 1.024 39.519 38.487 0.012 0.000 1.137 374 N HN 0.698 nan 8.380 nan 0.000 0.472 375 I N 3.195 123.792 120.570 0.045 0.000 2.322 375 I HA 0.102 4.272 4.170 -0.000 0.000 0.292 375 I C 1.032 177.168 176.117 0.032 0.000 1.060 375 I CA 0.222 61.556 61.300 0.057 0.000 1.309 375 I CB 0.648 38.692 38.000 0.074 0.000 1.415 375 I HN 0.765 nan 8.210 nan 0.000 0.492 376 E N 5.130 125.344 120.200 0.024 0.000 2.127 376 E HA 0.165 4.515 4.350 -0.000 0.000 0.191 376 E C 0.178 176.780 176.600 0.003 0.000 0.964 376 E CA 0.504 56.908 56.400 0.006 0.000 0.832 376 E CB 0.804 30.500 29.700 -0.005 0.000 0.790 376 E HN 0.474 nan 8.360 nan 0.000 0.465 377 L N 0.654 121.881 121.223 0.007 0.000 2.424 377 L HA 0.520 4.860 4.340 -0.000 0.000 0.258 377 L C -1.772 175.098 176.870 0.001 0.000 0.995 377 L CA -0.689 54.151 54.840 0.000 0.000 0.821 377 L CB 2.093 44.148 42.059 -0.007 0.000 1.383 377 L HN -0.094 nan 8.230 nan 0.000 0.410 378 I N 2.552 123.114 120.570 -0.014 0.000 2.582 378 I HA 0.565 4.735 4.170 -0.000 0.000 0.292 378 I C -0.712 175.381 176.117 -0.040 0.000 1.066 378 I CA -0.356 60.921 61.300 -0.038 0.000 1.053 378 I CB 2.234 40.199 38.000 -0.058 0.000 1.241 378 I HN 0.655 nan 8.210 nan 0.000 0.421 379 S N 3.308 118.976 115.700 -0.053 0.000 2.618 379 S HA 0.922 5.392 4.470 -0.000 0.000 0.277 379 S C -0.650 173.908 174.600 -0.069 0.000 1.138 379 S CA -0.450 57.722 58.200 -0.046 0.000 0.844 379 S CB 2.453 65.639 63.200 -0.023 0.000 1.127 379 S HN 0.781 nan 8.310 nan 0.000 0.474 380 T N -1.457 113.062 114.554 -0.058 0.000 2.843 380 T HA 0.822 5.172 4.350 -0.000 0.000 0.302 380 T C -0.365 174.307 174.700 -0.047 0.000 1.232 380 T CA -0.162 61.897 62.100 -0.068 0.000 1.009 380 T CB 1.106 69.926 68.868 -0.079 0.000 1.254 380 T HN 1.696 nan 8.240 nan 0.000 0.504 381 S N -0.429 115.243 115.700 -0.046 0.000 2.709 381 S HA 0.482 4.952 4.470 -0.000 0.000 0.302 381 S C 0.981 175.558 174.600 -0.039 0.000 1.127 381 S CA -0.353 57.825 58.200 -0.036 0.000 0.905 381 S CB 1.635 64.819 63.200 -0.027 0.000 1.151 381 S HN 1.001 nan 8.310 nan 0.000 0.510 382 E N -0.028 120.153 120.200 -0.032 0.000 2.147 382 E HA -0.184 4.166 4.350 -0.000 0.000 0.199 382 E C 1.142 177.722 176.600 -0.034 0.000 1.005 382 E CA 2.002 58.383 56.400 -0.032 0.000 0.810 382 E CB -0.346 29.338 29.700 -0.026 0.000 0.736 382 E HN 0.720 nan 8.360 nan 0.000 0.460 383 I N -2.314 118.237 120.570 -0.031 0.000 3.658 383 I HA 0.383 4.553 4.170 -0.000 0.000 0.328 383 I C -0.192 175.902 176.117 -0.039 0.000 1.567 383 I CA -0.712 60.569 61.300 -0.032 0.000 1.078 383 I CB 0.661 38.648 38.000 -0.021 0.000 1.267 383 I HN -0.156 nan 8.210 nan 0.000 0.495 384 R N 1.628 122.100 120.500 -0.048 0.000 2.566 384 R HA 0.656 4.996 4.340 -0.000 0.000 0.271 384 R C -2.079 174.169 176.300 -0.087 0.000 1.071 384 R CA -0.598 55.472 56.100 -0.050 0.000 0.915 384 R CB 2.186 32.470 30.300 -0.026 0.000 1.228 384 R HN 0.324 nan 8.270 nan 0.000 0.449 385 I N 2.683 123.180 120.570 -0.121 0.000 2.378 385 I HA 0.339 4.509 4.170 -0.000 0.000 0.291 385 I C -0.364 175.662 176.117 -0.152 0.000 0.992 385 I CA -0.529 60.615 61.300 -0.260 0.000 1.154 385 I CB 2.184 39.815 38.000 -0.615 0.000 1.315 385 I HN 0.514 nan 8.210 nan 0.000 0.448 386 S N 4.544 120.173 115.700 -0.119 0.000 2.503 386 S HA 0.760 5.230 4.470 -0.000 0.000 0.301 386 S C -0.688 173.907 174.600 -0.008 0.000 1.087 386 S CA -0.596 57.600 58.200 -0.006 0.000 1.042 386 S CB 2.361 65.565 63.200 0.006 0.000 1.043 386 S HN 0.300 nan 8.310 nan 0.000 0.489 387 V N 3.392 123.363 119.914 0.094 0.000 2.888 387 V HA 0.470 4.590 4.120 -0.000 0.000 0.309 387 V C -1.064 175.081 176.094 0.084 0.000 1.114 387 V CA -0.700 61.658 62.300 0.097 0.000 0.940 387 V CB 2.014 33.965 31.823 0.214 0.000 1.021 387 V HN 0.741 nan 8.190 nan 0.000 0.426 388 L N 6.186 127.438 121.223 0.047 0.000 2.289 388 L HA 0.657 4.997 4.340 -0.000 0.000 0.285 388 L C -0.364 176.523 176.870 0.028 0.000 1.049 388 L CA -0.402 54.454 54.840 0.026 0.000 0.804 388 L CB 1.431 43.489 42.059 -0.001 0.000 1.195 388 L HN 0.571 nan 8.230 nan 0.000 0.428 389 I N -0.215 120.367 120.570 0.020 0.000 3.354 389 I HA 0.554 4.724 4.170 -0.000 0.000 0.316 389 I C -0.701 175.413 176.117 -0.004 0.000 1.182 389 I CA -1.356 59.953 61.300 0.014 0.000 0.942 389 I CB 1.604 39.622 38.000 0.029 0.000 1.299 389 I HN 0.417 nan 8.210 nan 0.000 0.473 390 R N 1.878 122.373 120.500 -0.008 0.000 2.489 390 R HA 0.108 4.448 4.340 -0.000 0.000 0.287 390 R C 1.086 177.377 176.300 -0.014 0.000 1.053 390 R CA 0.083 56.173 56.100 -0.017 0.000 1.036 390 R CB -0.255 30.036 30.300 -0.015 0.000 0.966 390 R HN 0.862 nan 8.270 nan 0.000 0.432 391 E N 1.841 122.029 120.200 -0.020 0.000 2.171 391 E HA -0.255 4.095 4.350 -0.000 0.000 0.197 391 E C 0.222 176.814 176.600 -0.014 0.000 0.997 391 E CA 1.443 57.834 56.400 -0.016 0.000 0.810 391 E CB 0.254 29.942 29.700 -0.021 0.000 0.738 391 E HN 0.427 nan 8.360 nan 0.000 0.467 392 D N 0.695 121.086 120.400 -0.014 0.000 2.178 392 D HA -0.140 4.500 4.640 -0.000 0.000 0.201 392 D C 1.047 177.340 176.300 -0.012 0.000 0.980 392 D CA 0.948 54.941 54.000 -0.013 0.000 0.842 392 D CB -0.183 40.610 40.800 -0.013 0.000 0.948 392 D HN 0.242 nan 8.370 nan 0.000 0.472 393 D N -0.203 120.190 120.400 -0.011 0.000 2.340 393 D HA -0.021 4.619 4.640 -0.000 0.000 0.220 393 D C 1.943 178.237 176.300 -0.011 0.000 1.039 393 D CA -0.133 53.861 54.000 -0.010 0.000 0.866 393 D CB 0.235 41.031 40.800 -0.007 0.000 0.913 393 D HN 0.118 nan 8.370 nan 0.000 0.523 394 L N 1.109 122.327 121.223 -0.009 0.000 2.005 394 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 394 L C 1.472 178.335 176.870 -0.012 0.000 1.072 394 L CA 1.842 56.678 54.840 -0.007 0.000 0.744 394 L CB -0.426 41.630 42.059 -0.005 0.000 0.895 394 L HN -0.174 nan 8.230 nan 0.000 0.433 395 D N -0.224 120.167 120.400 -0.016 0.000 2.116 395 D HA -0.194 4.446 4.640 -0.000 0.000 0.193 395 D C 2.155 178.440 176.300 -0.025 0.000 0.998 395 D CA 1.709 55.695 54.000 -0.022 0.000 0.836 395 D CB -0.286 40.499 40.800 -0.025 0.000 0.951 395 D HN 0.461 nan 8.370 nan 0.000 0.449 396 A N 0.696 123.502 122.820 -0.023 0.000 1.969 396 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 396 A C 2.269 179.835 177.584 -0.030 0.000 1.169 396 A CA 2.041 54.063 52.037 -0.025 0.000 0.635 396 A CB -0.590 18.396 19.000 -0.023 0.000 0.810 396 A HN 0.237 nan 8.150 nan 0.000 0.445 397 A N -0.009 122.792 122.820 -0.031 0.000 1.877 397 A HA 0.170 4.490 4.320 -0.000 0.000 0.216 397 A C 2.505 180.057 177.584 -0.054 0.000 1.186 397 A CA 2.010 54.018 52.037 -0.049 0.000 0.620 397 A CB -1.010 17.969 19.000 -0.036 0.000 0.822 397 A HN 1.023 nan 8.150 nan 0.000 0.443 398 A N -0.581 122.223 122.820 -0.026 0.000 1.933 398 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 398 A C 2.211 179.807 177.584 0.019 0.000 1.175 398 A CA 1.847 53.883 52.037 -0.002 0.000 0.628 398 A CB -0.416 18.583 19.000 -0.001 0.000 0.814 398 A HN 0.488 nan 8.150 nan 0.000 0.444 399 R N -0.378 120.118 120.500 -0.007 0.000 2.070 399 R HA -0.056 4.284 4.340 -0.000 0.000 0.233 399 R C 2.417 178.733 176.300 0.026 0.000 1.137 399 R CA 1.610 57.710 56.100 0.001 0.000 0.945 399 R CB -0.543 29.744 30.300 -0.022 0.000 0.845 399 R HN 0.465 nan 8.270 nan 0.000 0.430 400 A N 0.640 123.452 122.820 -0.014 0.000 1.865 400 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 400 A C 1.932 179.489 177.584 -0.045 0.000 1.191 400 A CA 1.338 53.351 52.037 -0.040 0.000 0.623 400 A CB -0.726 18.233 19.000 -0.068 0.000 0.826 400 A HN 0.213 nan 8.150 nan 0.000 0.444 401 L N -0.768 120.426 121.223 -0.048 0.000 1.989 401 L HA -0.197 4.143 4.340 -0.000 0.000 0.211 401 L C 2.354 179.321 176.870 0.161 0.000 1.071 401 L CA 2.548 57.393 54.840 0.007 0.000 0.749 401 L CB -1.963 40.060 42.059 -0.059 0.000 0.890 401 L HN 0.680 nan 8.230 nan 0.000 0.431 402 H N -0.278 118.826 119.070 0.056 0.000 2.319 402 H HA -0.208 4.348 4.556 0.001 0.000 0.297 402 H C 2.345 177.708 175.328 0.058 0.000 1.097 402 H CA 2.308 58.400 56.048 0.074 0.000 1.285 402 H CB 0.220 30.004 29.762 0.037 0.000 1.368 402 H HN 0.378 nan 8.280 nan 0.000 0.495 403 E N -0.676 119.597 120.200 0.121 0.000 2.112 403 E HA -0.189 4.161 4.350 -0.000 0.000 0.190 403 E C 2.103 178.661 176.600 -0.070 0.000 0.979 403 E CA 0.702 57.121 56.400 0.032 0.000 0.814 403 E CB 0.109 29.826 29.700 0.028 0.000 0.762 403 E HN 0.386 nan 8.360 nan 0.000 0.460 404 Q N -0.147 119.564 119.800 -0.148 0.000 2.124 404 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 404 Q C 1.047 176.764 176.000 -0.471 0.000 0.977 404 Q CA 1.459 57.054 55.803 -0.347 0.000 0.850 404 Q CB -0.200 28.232 28.738 -0.511 0.000 0.901 404 Q HN 0.242 nan 8.270 nan 0.000 0.429 405 F N 0.742 120.647 119.950 -0.075 0.000 2.693 405 F HA 0.260 4.787 4.527 -0.000 0.000 0.303 405 F C 0.234 175.962 175.800 -0.119 0.000 1.097 405 F CA -0.058 57.892 58.000 -0.084 0.000 1.330 405 F CB -0.051 38.904 39.000 -0.075 0.000 1.067 405 F HN 0.008 nan 8.300 nan 0.000 0.565 406 Q N 0.772 120.555 119.800 -0.028 0.000 2.439 406 Q HA -0.236 4.104 4.340 -0.000 0.000 0.325 406 Q C 0.999 176.936 176.000 -0.105 0.000 1.372 406 Q CA 0.226 55.995 55.803 -0.055 0.000 0.909 406 Q CB -1.706 27.014 28.738 -0.029 0.000 1.167 406 Q HN 0.562 nan 8.270 nan 0.000 0.418 407 L N -1.112 119.934 121.223 -0.294 0.000 2.551 407 L HA -0.005 4.335 4.340 -0.000 0.000 0.228 407 L C 1.504 178.262 176.870 -0.186 0.000 1.153 407 L CA 0.723 55.344 54.840 -0.365 0.000 0.851 407 L CB -0.311 41.343 42.059 -0.675 0.000 0.959 407 L HN 0.356 nan 8.230 nan 0.000 0.451 408 G N 0.000 108.765 108.800 -0.058 0.000 5.446 408 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 408 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 408 G CA 0.000 45.178 45.100 0.130 0.000 0.502 408 G HN 0.000 nan 8.290 nan 0.000 0.925