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 1w36_1_G DATA FIRST_RESID 2 DATA SEQUENCE KLQKQLLEAV EHKQLRPLDV QFALTVAGDE HPAVTLAAAL LSHDAGEGHV DATA SEQUENCE CLPLSRLENN EASHPLLATC VSEIGELQNW EECLLASQAV SRGDEPTPMI DATA SEQUENCE LCGDRLYLNR MWCNERTVAR FFNEVNHAIE VDEALLAQTL DKLFPVSDEI DATA SEQUENCE NWQKVAAAVA LTRRISVISG GPGTGKTTTV AKLLAALIQM ADGERCRIRL DATA SEQUENCE AAPTGKAAAR LTESLGKALR QLPLTDEQKK RIPEDASTLH RLLXXXXXXX DATA SEQUENCE XXXXHAGNPL HLDVLVVDEA SMIDLPMMSR LIDALPDHAR VIFLGDRDQL DATA SEQUENCE ASVEAGAVLG DICAYANAGF TAERARQLSR LTGTHVPAGT GTEAASLRDS DATA SEQUENCE LCLLQKSYRF GSDSGIGQLA AAINRGDKTA VKTVFQQDFT DIEKRLLQSG DATA SEQUENCE EDYIAMLEEA LAGYGRYLDL LQARAEPDLI IQAFNEYQLL CALREGPFGV DATA SEQUENCE AGLNERIEQF MQQKRXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XQPSRLPEHE TTWAMTVHKS QGSEFDHAAL DATA SEQUENCE ILPSQRTPVV TRELVYTAVT RARRRLSLYA DERILSAAIA TRTERRSGLA DATA SEQUENCE ALFSSR 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 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.592 176.600 -0.013 0.000 0.988 2 K CA 0.000 56.275 56.287 -0.021 0.000 0.838 2 K CB 0.000 32.480 32.500 -0.033 0.000 1.064 3 L N 2.626 123.845 121.223 -0.008 0.000 2.270 3 L HA -0.260 4.080 4.340 -0.000 0.000 0.217 3 L C 2.368 179.241 176.870 0.005 0.000 1.107 3 L CA 1.994 56.835 54.840 0.002 0.000 0.772 3 L CB -0.567 41.500 42.059 0.013 0.000 0.902 3 L HN 0.580 nan 8.230 nan 0.000 0.439 4 Q N 0.615 120.417 119.800 0.003 0.000 2.204 4 Q HA -0.389 3.951 4.340 -0.000 0.000 0.220 4 Q C 1.975 177.982 176.000 0.011 0.000 1.064 4 Q CA 2.937 58.744 55.803 0.007 0.000 0.946 4 Q CB -0.096 28.643 28.738 0.002 0.000 1.083 4 Q HN 0.433 nan 8.270 nan 0.000 0.443 5 K N -0.588 119.816 120.400 0.008 0.000 1.991 5 K HA -0.215 4.105 4.320 -0.000 0.000 0.212 5 K C 2.308 178.916 176.600 0.014 0.000 1.049 5 K CA 1.981 58.274 56.287 0.011 0.000 0.932 5 K CB -0.227 32.276 32.500 0.006 0.000 0.717 5 K HN 0.443 nan 8.250 nan 0.000 0.441 6 Q N 0.788 120.592 119.800 0.007 0.000 2.061 6 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 6 Q C 2.328 178.335 176.000 0.011 0.000 0.984 6 Q CA 1.426 57.230 55.803 0.003 0.000 0.846 6 Q CB -0.455 28.283 28.738 0.000 0.000 0.902 6 Q HN 0.313 nan 8.270 nan 0.000 0.421 7 L N 0.584 121.818 121.223 0.019 0.000 1.961 7 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 7 L C 2.577 179.469 176.870 0.036 0.000 1.072 7 L CA 1.127 55.984 54.840 0.028 0.000 0.749 7 L CB -0.719 41.359 42.059 0.032 0.000 0.889 7 L HN 0.195 nan 8.230 nan 0.000 0.432 8 L N -0.281 120.963 121.223 0.036 0.000 2.103 8 L HA -0.301 4.039 4.340 -0.000 0.000 0.215 8 L C 2.615 179.519 176.870 0.057 0.000 1.080 8 L CA 1.514 56.379 54.840 0.041 0.000 0.764 8 L CB -0.497 41.582 42.059 0.032 0.000 0.890 8 L HN 0.385 nan 8.230 nan 0.000 0.435 9 E N -0.040 120.196 120.200 0.060 0.000 2.046 9 E HA -0.203 4.147 4.350 -0.000 0.000 0.190 9 E C 2.261 178.951 176.600 0.150 0.000 0.982 9 E CA 0.924 57.386 56.400 0.104 0.000 0.800 9 E CB -0.079 29.658 29.700 0.061 0.000 0.756 9 E HN 0.443 nan 8.360 nan 0.000 0.449 10 A N 0.452 123.318 122.820 0.077 0.000 2.093 10 A HA -0.175 4.145 4.320 -0.000 0.000 0.222 10 A C 2.207 179.850 177.584 0.097 0.000 1.162 10 A CA 1.422 53.502 52.037 0.071 0.000 0.655 10 A CB -0.434 18.577 19.000 0.020 0.000 0.805 10 A HN 0.242 nan 8.150 nan 0.000 0.461 11 V N -0.639 119.327 119.914 0.086 0.000 2.878 11 V HA -0.135 3.985 4.120 -0.000 0.000 0.250 11 V C 2.183 178.312 176.094 0.059 0.000 1.075 11 V CA 1.616 63.957 62.300 0.068 0.000 1.096 11 V CB -0.508 31.349 31.823 0.055 0.000 0.724 11 V HN 0.632 nan 8.190 nan 0.000 0.467 12 E N -0.152 120.093 120.200 0.076 0.000 2.106 12 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 12 E C 1.349 177.887 176.600 -0.103 0.000 0.984 12 E CA 1.150 57.550 56.400 0.000 0.000 0.806 12 E CB -0.120 29.594 29.700 0.022 0.000 0.750 12 E HN 0.693 nan 8.360 nan 0.000 0.458 13 H N 0.582 119.657 119.070 0.007 0.000 2.645 13 H HA 0.187 4.743 4.556 -0.000 0.000 0.300 13 H C -0.290 175.043 175.328 0.008 0.000 1.065 13 H CA 0.020 56.072 56.048 0.005 0.000 1.173 13 H CB -0.179 29.584 29.762 0.002 0.000 1.383 13 H HN -0.022 nan 8.280 nan 0.000 0.566 14 K N 0.795 121.229 120.400 0.056 0.000 3.010 14 K HA -0.301 4.019 4.320 -0.000 0.000 0.255 14 K C 0.443 177.082 176.600 0.065 0.000 0.929 14 K CA 0.976 57.292 56.287 0.050 0.000 0.687 14 K CB -0.694 31.822 32.500 0.027 0.000 1.304 14 K HN 0.725 nan 8.250 nan 0.000 0.479 15 Q N 0.015 119.853 119.800 0.064 0.000 2.198 15 Q HA 0.250 4.590 4.340 -0.000 0.000 0.209 15 Q C -0.121 175.853 176.000 -0.043 0.000 0.848 15 Q CA -0.342 55.472 55.803 0.020 0.000 0.974 15 Q CB 0.150 28.889 28.738 0.001 0.000 1.115 15 Q HN 0.311 nan 8.270 nan 0.000 0.494 16 L N -2.837 118.410 121.223 0.039 0.000 2.789 16 L HA 0.447 4.787 4.340 -0.000 0.000 0.254 16 L C -1.384 175.552 176.870 0.110 0.000 0.952 16 L CA -1.251 53.649 54.840 0.100 0.000 0.942 16 L CB 0.988 43.051 42.059 0.007 0.000 1.502 16 L HN 0.119 nan 8.230 nan 0.000 0.425 17 R N 0.776 121.357 120.500 0.135 0.000 2.500 17 R HA 0.565 4.905 4.340 -0.000 0.000 0.275 17 R C -2.053 174.297 176.300 0.084 0.000 1.051 17 R CA -1.449 54.706 56.100 0.092 0.000 1.088 17 R CB 0.628 30.974 30.300 0.076 0.000 1.063 17 R HN 0.540 nan 8.270 nan 0.000 0.511 18 P HA -0.259 nan 4.420 nan 0.000 0.218 18 P C 1.515 178.861 177.300 0.078 0.000 1.152 18 P CA 1.234 64.372 63.100 0.063 0.000 0.857 18 P CB 0.032 31.760 31.700 0.048 0.000 0.787 19 L N 0.158 121.426 121.223 0.076 0.000 1.989 19 L HA -0.196 4.144 4.340 -0.000 0.000 0.211 19 L C 1.951 178.903 176.870 0.137 0.000 1.071 19 L CA 2.202 57.095 54.840 0.088 0.000 0.749 19 L CB -0.820 41.271 42.059 0.053 0.000 0.890 19 L HN -0.077 nan 8.230 nan 0.000 0.431 20 D N -0.631 119.849 120.400 0.133 0.000 2.133 20 D HA -0.226 4.414 4.640 -0.000 0.000 0.195 20 D C 2.060 178.485 176.300 0.207 0.000 0.997 20 D CA 1.637 55.749 54.000 0.187 0.000 0.840 20 D CB -0.544 40.362 40.800 0.177 0.000 0.947 20 D HN 0.366 nan 8.370 nan 0.000 0.452 21 V N 0.624 120.622 119.914 0.140 0.000 2.488 21 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 21 V C 2.032 178.180 176.094 0.090 0.000 1.046 21 V CA 1.388 63.749 62.300 0.103 0.000 1.053 21 V CB -0.042 31.825 31.823 0.072 0.000 0.679 21 V HN 0.013 nan 8.190 nan 0.000 0.458 22 Q N -0.570 119.292 119.800 0.103 0.000 2.167 22 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 22 Q C 1.983 178.042 176.000 0.098 0.000 0.970 22 Q CA 2.000 57.853 55.803 0.083 0.000 0.855 22 Q CB -0.553 28.235 28.738 0.082 0.000 0.911 22 Q HN 0.774 nan 8.270 nan 0.000 0.438 23 F N 1.245 121.214 119.950 0.031 0.000 2.060 23 F HA -0.107 4.420 4.527 -0.000 0.000 0.295 23 F C 2.169 177.988 175.800 0.032 0.000 1.120 23 F CA 1.348 59.367 58.000 0.032 0.000 1.205 23 F CB -0.717 38.306 39.000 0.038 0.000 0.986 23 F HN 0.029 nan 8.300 nan 0.000 0.470 24 A N 1.315 124.097 122.820 -0.064 0.000 1.869 24 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 24 A C 2.379 179.864 177.584 -0.165 0.000 1.203 24 A CA 2.445 54.397 52.037 -0.142 0.000 0.638 24 A CB -1.499 17.524 19.000 0.039 0.000 0.831 24 A HN 0.550 nan 8.150 nan 0.000 0.450 25 L N -0.494 120.684 121.223 -0.075 0.000 1.990 25 L HA -0.232 4.108 4.340 -0.000 0.000 0.213 25 L C 3.110 179.926 176.870 -0.091 0.000 1.072 25 L CA 2.201 57.004 54.840 -0.062 0.000 0.755 25 L CB -1.021 41.025 42.059 -0.022 0.000 0.889 25 L HN 0.729 nan 8.230 nan 0.000 0.432 26 T N -3.673 110.819 114.554 -0.104 0.000 2.821 26 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 26 T C 1.773 176.387 174.700 -0.143 0.000 1.046 26 T CA 1.163 63.206 62.100 -0.096 0.000 1.139 26 T CB -0.513 68.319 68.868 -0.060 0.000 0.871 26 T HN 0.082 nan 8.240 nan 0.000 0.454 27 V N 1.155 120.907 119.914 -0.270 0.000 2.407 27 V HA 0.212 4.332 4.120 -0.000 0.000 0.245 27 V C 2.741 178.717 176.094 -0.197 0.000 1.041 27 V CA 1.459 63.582 62.300 -0.295 0.000 1.040 27 V CB -0.767 30.685 31.823 -0.618 0.000 0.671 27 V HN 0.775 nan 8.190 nan 0.000 0.455 28 A N -1.481 121.226 122.820 -0.190 0.000 2.930 28 A HA 0.531 4.851 4.320 -0.000 0.000 0.213 28 A C 2.164 179.699 177.584 -0.081 0.000 2.276 28 A CA 1.153 53.125 52.037 -0.108 0.000 1.182 28 A CB -1.057 17.891 19.000 -0.086 0.000 1.301 28 A HN 0.989 nan 8.150 nan 0.000 0.481 29 G N -0.670 108.091 108.800 -0.065 0.000 3.019 29 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.231 29 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.231 29 G C 0.367 175.245 174.900 -0.037 0.000 1.225 29 G CA 1.183 46.255 45.100 -0.047 0.000 0.845 29 G HN 0.544 nan 8.290 nan 0.000 0.527 30 D N 1.970 122.347 120.400 -0.039 0.000 2.643 30 D HA 0.353 4.993 4.640 -0.000 0.000 0.244 30 D C 0.769 177.051 176.300 -0.030 0.000 1.257 30 D CA 0.223 54.203 54.000 -0.033 0.000 0.831 30 D CB 0.392 41.173 40.800 -0.032 0.000 1.043 30 D HN 0.679 nan 8.370 nan 0.000 0.488 31 E N -0.458 119.727 120.200 -0.024 0.000 2.393 31 E HA 0.139 4.489 4.350 -0.000 0.000 0.265 31 E C -0.261 176.353 176.600 0.024 0.000 0.941 31 E CA -0.926 55.470 56.400 -0.007 0.000 0.801 31 E CB 1.702 31.395 29.700 -0.013 0.000 1.313 31 E HN 0.082 nan 8.360 nan 0.000 0.435 32 H N 3.662 122.684 119.070 -0.079 0.000 3.192 32 H HA -0.030 4.526 4.556 -0.000 0.000 0.295 32 H C -1.580 173.691 175.328 -0.095 0.000 0.943 32 H CA -1.057 54.934 56.048 -0.094 0.000 1.416 32 H CB 0.673 30.359 29.762 -0.127 0.000 1.434 32 H HN 0.244 nan 8.280 nan 0.000 0.565 33 P HA -0.225 nan 4.420 nan 0.000 0.219 33 P C 1.064 178.456 177.300 0.155 0.000 1.144 33 P CA 1.760 64.928 63.100 0.114 0.000 0.806 33 P CB 0.029 31.747 31.700 0.030 0.000 0.771 34 A N 0.636 123.615 122.820 0.266 0.000 1.877 34 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 34 A C 2.477 179.961 177.584 -0.166 0.000 1.186 34 A CA 2.292 54.212 52.037 -0.195 0.000 0.620 34 A CB -1.707 16.750 19.000 -0.905 0.000 0.822 34 A HN 0.211 nan 8.150 nan 0.000 0.443 35 V N -1.576 118.249 119.914 -0.148 0.000 2.515 35 V HA -0.153 3.967 4.120 -0.000 0.000 0.250 35 V C 2.087 178.188 176.094 0.013 0.000 1.058 35 V CA 2.969 65.233 62.300 -0.061 0.000 1.064 35 V CB -1.443 30.339 31.823 -0.068 0.000 0.675 35 V HN 0.471 nan 8.190 nan 0.000 0.461 36 T N 0.805 115.369 114.554 0.017 0.000 2.746 36 T HA -0.072 4.278 4.350 -0.000 0.000 0.267 36 T C 1.860 176.594 174.700 0.056 0.000 1.039 36 T CA 2.122 64.233 62.100 0.018 0.000 1.142 36 T CB -0.347 68.531 68.868 0.016 0.000 0.866 36 T HN 0.470 nan 8.240 nan 0.000 0.444 37 L N 0.487 121.762 121.223 0.088 0.000 2.056 37 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 37 L C 2.871 179.832 176.870 0.153 0.000 1.078 37 L CA 1.168 56.080 54.840 0.120 0.000 0.749 37 L CB -0.593 41.558 42.059 0.153 0.000 0.901 37 L HN 0.274 nan 8.230 nan 0.000 0.433 38 A N -0.021 122.918 122.820 0.198 0.000 1.892 38 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 38 A C 2.444 180.132 177.584 0.172 0.000 1.188 38 A CA 2.049 54.215 52.037 0.216 0.000 0.631 38 A CB -0.904 18.252 19.000 0.260 0.000 0.822 38 A HN 0.540 nan 8.150 nan 0.000 0.447 39 A N -0.244 122.672 122.820 0.159 0.000 1.865 39 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 39 A C 2.575 180.331 177.584 0.287 0.000 1.191 39 A CA 2.554 54.727 52.037 0.226 0.000 0.623 39 A CB -1.258 17.785 19.000 0.071 0.000 0.826 39 A HN 1.214 nan 8.150 nan 0.000 0.444 40 A N -0.160 122.778 122.820 0.196 0.000 1.859 40 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 40 A C 2.195 179.896 177.584 0.195 0.000 1.198 40 A CA 1.786 53.937 52.037 0.190 0.000 0.629 40 A CB -0.827 18.246 19.000 0.121 0.000 0.830 40 A HN 0.508 nan 8.150 nan 0.000 0.446 41 L N -1.010 120.307 121.223 0.156 0.000 2.131 41 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 41 L C 2.555 179.527 176.870 0.170 0.000 1.092 41 L CA 1.007 55.943 54.840 0.159 0.000 0.759 41 L CB -0.626 41.487 42.059 0.091 0.000 0.903 41 L HN 0.501 nan 8.230 nan 0.000 0.435 42 L N -0.369 120.940 121.223 0.144 0.000 1.994 42 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 42 L C 2.660 179.574 176.870 0.073 0.000 1.071 42 L CA 2.187 57.086 54.840 0.098 0.000 0.745 42 L CB -0.900 41.233 42.059 0.123 0.000 0.892 42 L HN 0.165 nan 8.230 nan 0.000 0.431 43 S N -2.003 113.751 115.700 0.090 0.000 2.469 43 S HA -0.267 4.203 4.470 -0.000 0.000 0.238 43 S C 2.095 176.715 174.600 0.034 0.000 0.998 43 S CA 1.355 59.547 58.200 -0.013 0.000 0.957 43 S CB -0.607 62.582 63.200 -0.017 0.000 0.764 43 S HN 0.824 nan 8.310 nan 0.000 0.514 44 H N 0.494 119.584 119.070 0.034 0.000 2.384 44 H HA 0.152 4.708 4.556 -0.000 0.000 0.300 44 H C 1.670 177.021 175.328 0.037 0.000 1.057 44 H CA 1.689 57.758 56.048 0.035 0.000 1.370 44 H CB -0.307 29.483 29.762 0.048 0.000 1.417 44 H HN 0.294 nan 8.280 nan 0.000 0.527 45 D N 0.300 120.670 120.400 -0.049 0.000 2.183 45 D HA -0.048 4.592 4.640 -0.000 0.000 0.203 45 D C 2.157 178.438 176.300 -0.033 0.000 0.969 45 D CA 1.032 55.023 54.000 -0.015 0.000 0.842 45 D CB -0.361 40.501 40.800 0.103 0.000 0.957 45 D HN 0.539 nan 8.370 nan 0.000 0.484 46 A N 0.877 123.675 122.820 -0.037 0.000 1.883 46 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 46 A C 2.381 179.913 177.584 -0.087 0.000 1.186 46 A CA 2.167 54.178 52.037 -0.042 0.000 0.624 46 A CB -1.122 17.842 19.000 -0.060 0.000 0.822 46 A HN 0.309 nan 8.150 nan 0.000 0.444 47 G N -0.591 108.129 108.800 -0.133 0.000 2.448 47 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.219 47 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.219 47 G C 1.117 175.920 174.900 -0.162 0.000 1.127 47 G CA 0.829 45.847 45.100 -0.138 0.000 0.766 47 G HN 0.698 nan 8.290 nan 0.000 0.552 48 E N 0.033 120.102 120.200 -0.219 0.000 2.368 48 E HA 0.321 4.671 4.350 -0.000 0.000 0.188 48 E C 1.615 178.064 176.600 -0.251 0.000 1.061 48 E CA 0.108 56.371 56.400 -0.230 0.000 0.933 48 E CB -0.009 29.532 29.700 -0.265 0.000 1.091 48 E HN 0.359 nan 8.360 nan 0.000 0.458 49 G N 1.648 110.351 108.800 -0.162 0.000 2.179 49 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 49 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 49 G C 0.072 174.920 174.900 -0.088 0.000 0.977 49 G CA -0.139 44.890 45.100 -0.117 0.000 0.641 49 G HN 0.396 nan 8.290 nan 0.000 0.533 50 H N 0.192 119.233 119.070 -0.048 0.000 2.803 50 H HA 0.340 4.896 4.556 -0.000 0.000 0.330 50 H C 1.804 177.111 175.328 -0.036 0.000 1.057 50 H CA 0.497 56.518 56.048 -0.045 0.000 1.458 50 H CB 1.540 31.264 29.762 -0.065 0.000 1.470 50 H HN 0.008 nan 8.280 nan 0.000 0.560 51 V N 3.543 123.538 119.914 0.135 0.000 2.427 51 V HA -0.166 3.954 4.120 -0.000 0.000 0.248 51 V C 1.371 177.486 176.094 0.035 0.000 1.051 51 V CA 1.697 64.058 62.300 0.103 0.000 1.048 51 V CB -0.301 31.603 31.823 0.134 0.000 0.666 51 V HN 0.919 nan 8.190 nan 0.000 0.456 52 C N -2.064 117.161 119.300 -0.125 0.000 3.318 52 C HA 0.733 5.193 4.460 -0.000 0.000 0.329 52 C C -0.635 174.180 174.990 -0.291 0.000 1.449 52 C CA -1.125 57.661 59.018 -0.386 0.000 1.397 52 C CB 1.566 28.678 27.740 -1.046 0.000 1.810 52 C HN 0.187 nan 8.230 nan 0.000 0.449 53 L N 1.940 122.981 121.223 -0.302 0.000 2.401 53 L HA 0.497 4.837 4.340 -0.000 0.000 0.263 53 L C -2.646 174.093 176.870 -0.220 0.000 1.004 53 L CA -1.568 53.142 54.840 -0.217 0.000 0.881 53 L CB 1.712 43.697 42.059 -0.123 0.000 1.219 53 L HN 0.576 nan 8.230 nan 0.000 0.441 54 P HA -0.062 nan 4.420 nan 0.000 0.260 54 P C 1.136 178.327 177.300 -0.181 0.000 1.172 54 P CA 0.017 63.005 63.100 -0.188 0.000 0.760 54 P CB 0.632 32.221 31.700 -0.185 0.000 0.773 55 L N 2.649 123.787 121.223 -0.143 0.000 2.129 55 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 55 L C 2.240 178.966 176.870 -0.240 0.000 1.087 55 L CA 2.632 57.370 54.840 -0.170 0.000 0.757 55 L CB -1.088 40.923 42.059 -0.081 0.000 0.896 55 L HN 0.484 nan 8.230 nan 0.000 0.434 56 S N -0.287 115.305 115.700 -0.180 0.000 2.356 56 S HA -0.276 4.194 4.470 -0.000 0.000 0.223 56 S C 2.040 176.512 174.600 -0.213 0.000 1.032 56 S CA 0.977 59.073 58.200 -0.174 0.000 1.005 56 S CB -0.521 62.605 63.200 -0.123 0.000 0.867 56 S HN 0.363 nan 8.310 nan 0.000 0.449 57 R N 0.269 120.631 120.500 -0.230 0.000 2.303 57 R HA 0.153 4.493 4.340 -0.000 0.000 0.225 57 R C 1.658 177.793 176.300 -0.275 0.000 1.114 57 R CA 0.910 56.852 56.100 -0.264 0.000 1.007 57 R CB -0.302 29.821 30.300 -0.295 0.000 0.861 57 R HN 0.503 nan 8.270 nan 0.000 0.471 58 L N -0.520 120.490 121.223 -0.355 0.000 2.664 58 L HA 0.149 4.489 4.340 -0.000 0.000 0.233 58 L C -0.285 176.134 176.870 -0.751 0.000 1.113 58 L CA 0.186 54.684 54.840 -0.569 0.000 0.896 58 L CB 0.535 42.140 42.059 -0.756 0.000 1.163 58 L HN 0.011 nan 8.230 nan 0.000 0.497 59 E N 0.604 120.511 120.200 -0.489 0.000 2.121 59 E HA 0.147 4.497 4.350 -0.000 0.000 0.255 59 E C 0.013 176.509 176.600 -0.172 0.000 0.906 59 E CA -0.249 55.922 56.400 -0.381 0.000 0.745 59 E CB 0.516 30.050 29.700 -0.277 0.000 1.155 59 E HN 0.083 nan 8.360 nan 0.000 0.424 60 N N 1.912 120.543 118.700 -0.116 0.000 2.932 60 N HA -0.274 4.466 4.740 -0.000 0.000 0.227 60 N C 0.788 176.284 175.510 -0.024 0.000 0.854 60 N CA 1.273 54.300 53.050 -0.037 0.000 1.064 60 N CB -0.658 37.823 38.487 -0.010 0.000 1.029 60 N HN 0.463 nan 8.380 nan 0.000 0.619 61 N N 1.173 119.853 118.700 -0.033 0.000 2.171 61 N HA -0.097 4.643 4.740 -0.000 0.000 0.184 61 N C 1.283 176.845 175.510 0.088 0.000 1.021 61 N CA 1.299 54.367 53.050 0.030 0.000 0.854 61 N CB -0.223 38.291 38.487 0.045 0.000 0.994 61 N HN 0.589 nan 8.380 nan 0.000 0.426 62 E N 1.130 121.361 120.200 0.051 0.000 2.515 62 E HA -0.044 4.306 4.350 -0.000 0.000 0.201 62 E C 1.034 177.666 176.600 0.054 0.000 1.071 62 E CA 0.216 56.676 56.400 0.101 0.000 0.880 62 E CB -0.281 29.422 29.700 0.004 0.000 0.828 62 E HN 0.159 nan 8.360 nan 0.000 0.540 63 A N 1.166 124.001 122.820 0.025 0.000 2.209 63 A HA -0.005 4.315 4.320 -0.000 0.000 0.212 63 A C 1.420 179.003 177.584 -0.003 0.000 1.158 63 A CA 0.866 52.910 52.037 0.012 0.000 0.742 63 A CB -0.100 18.905 19.000 0.009 0.000 0.790 63 A HN 0.310 nan 8.150 nan 0.000 0.472 64 S N -1.734 113.958 115.700 -0.013 0.000 3.041 64 S HA 0.397 4.867 4.470 -0.000 0.000 0.250 64 S C -0.055 174.432 174.600 -0.187 0.000 0.898 64 S CA -0.655 57.495 58.200 -0.083 0.000 1.100 64 S CB -0.095 63.043 63.200 -0.105 0.000 1.149 64 S HN 0.508 nan 8.310 nan 0.000 0.540 65 H N 1.085 120.142 119.070 -0.021 0.000 4.267 65 H HA 0.487 5.042 4.556 -0.000 0.000 0.428 65 H C -2.774 172.542 175.328 -0.019 0.000 1.393 65 H CA -0.861 55.175 56.048 -0.020 0.000 0.918 65 H CB -0.680 29.062 29.762 -0.033 0.000 1.062 65 H HN -0.038 nan 8.280 nan 0.000 0.785 66 P HA -0.103 nan 4.420 nan 0.000 0.255 66 P C 1.151 178.464 177.300 0.021 0.000 1.123 66 P CA 0.757 63.885 63.100 0.047 0.000 0.766 66 P CB -0.007 31.697 31.700 0.006 0.000 0.705 67 L N 2.094 123.319 121.223 0.003 0.000 2.563 67 L HA -0.158 4.182 4.340 -0.000 0.000 0.230 67 L C 1.514 178.375 176.870 -0.014 0.000 1.162 67 L CA 0.971 55.806 54.840 -0.007 0.000 0.812 67 L CB -0.601 41.450 42.059 -0.014 0.000 0.935 67 L HN 0.411 nan 8.230 nan 0.000 0.451 68 L N 0.597 121.812 121.223 -0.013 0.000 2.934 68 L HA 0.169 4.509 4.340 -0.000 0.000 0.233 68 L C 1.329 178.211 176.870 0.019 0.000 1.358 68 L CA -0.265 54.573 54.840 -0.003 0.000 1.233 68 L CB 0.118 42.175 42.059 -0.002 0.000 1.594 68 L HN 0.056 nan 8.230 nan 0.000 0.439 69 A N -0.510 122.319 122.820 0.016 0.000 2.415 69 A HA 0.159 4.479 4.320 -0.000 0.000 0.248 69 A C 0.959 178.557 177.584 0.023 0.000 1.299 69 A CA -0.079 51.974 52.037 0.027 0.000 0.899 69 A CB -0.373 18.639 19.000 0.019 0.000 0.997 69 A HN 0.396 nan 8.150 nan 0.000 0.506 70 T N -2.535 112.028 114.554 0.015 0.000 2.744 70 T HA 0.572 4.922 4.350 -0.000 0.000 0.291 70 T C -0.576 174.135 174.700 0.019 0.000 0.957 70 T CA -0.705 61.399 62.100 0.007 0.000 1.002 70 T CB 0.629 69.488 68.868 -0.014 0.000 0.919 70 T HN 0.273 nan 8.240 nan 0.000 0.468 71 C N 2.720 122.033 119.300 0.022 0.000 3.302 71 C HA 0.532 4.992 4.460 -0.000 0.000 0.347 71 C C 1.004 176.007 174.990 0.021 0.000 1.218 71 C CA -0.294 58.741 59.018 0.028 0.000 1.234 71 C CB 1.352 29.124 27.740 0.054 0.000 1.551 71 C HN 0.967 nan 8.230 nan 0.000 0.501 72 V N -0.377 119.547 119.914 0.016 0.000 3.562 72 V HA 0.257 4.377 4.120 -0.000 0.000 0.270 72 V C 1.169 177.265 176.094 0.005 0.000 1.418 72 V CA 1.064 63.368 62.300 0.006 0.000 1.033 72 V CB 0.444 32.265 31.823 -0.004 0.000 0.820 72 V HN 0.693 nan 8.190 nan 0.000 0.441 73 S N 0.561 116.269 115.700 0.013 0.000 2.503 73 S HA 0.106 4.576 4.470 -0.000 0.000 0.215 73 S C 1.089 175.725 174.600 0.059 0.000 1.003 73 S CA 0.233 58.438 58.200 0.009 0.000 0.910 73 S CB -0.111 63.091 63.200 0.003 0.000 0.790 73 S HN 0.709 nan 8.310 nan 0.000 0.514 74 E N 2.857 123.103 120.200 0.076 0.000 1.795 74 E HA 0.036 4.386 4.350 -0.000 0.000 0.261 74 E C -0.831 175.821 176.600 0.086 0.000 1.238 74 E CA -0.191 56.273 56.400 0.108 0.000 1.001 74 E CB -0.333 29.442 29.700 0.125 0.000 1.065 74 E HN 0.437 nan 8.360 nan 0.000 0.418 75 I N 4.815 125.433 120.570 0.080 0.000 2.455 75 I HA 0.119 4.289 4.170 -0.000 0.000 0.303 75 I C 1.225 177.376 176.117 0.056 0.000 1.180 75 I CA 0.524 61.858 61.300 0.057 0.000 1.469 75 I CB -0.566 37.468 38.000 0.056 0.000 1.480 75 I HN 0.728 nan 8.210 nan 0.000 0.669 76 G N 5.191 114.029 108.800 0.064 0.000 2.553 76 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.242 76 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.242 76 G C 0.713 175.680 174.900 0.112 0.000 1.277 76 G CA 0.241 45.383 45.100 0.070 0.000 0.910 76 G HN 0.714 nan 8.290 nan 0.000 0.576 77 E N 0.612 120.883 120.200 0.118 0.000 2.489 77 E HA 0.122 4.472 4.350 -0.000 0.000 0.193 77 E C 2.088 178.849 176.600 0.268 0.000 1.057 77 E CA 0.945 57.451 56.400 0.177 0.000 0.866 77 E CB 0.078 29.846 29.700 0.115 0.000 0.916 77 E HN 1.540 nan 8.360 nan 0.000 0.500 78 L N 0.944 122.255 121.223 0.145 0.000 5.276 78 L HA -0.499 3.841 4.340 -0.000 0.000 0.452 78 L C 1.697 178.615 176.870 0.080 0.000 1.027 78 L CA 3.206 58.068 54.840 0.037 0.000 0.992 78 L CB -1.760 40.187 42.059 -0.188 0.000 1.651 78 L HN 0.613 nan 8.230 nan 0.000 0.768 79 Q N -2.035 117.894 119.800 0.214 0.000 1.793 79 Q HA -0.423 3.917 4.340 -0.000 0.000 0.169 79 Q C 0.735 176.840 176.000 0.176 0.000 2.930 79 Q CA 2.553 58.470 55.803 0.190 0.000 0.284 79 Q CB -1.775 27.021 28.738 0.096 0.000 0.293 79 Q HN 0.732 nan 8.270 nan 0.000 0.374 80 N N 0.062 118.806 118.700 0.074 0.000 2.747 80 N HA -0.041 4.699 4.740 -0.000 0.000 0.252 80 N C -0.063 175.450 175.510 0.006 0.000 1.352 80 N CA 0.790 53.857 53.050 0.029 0.000 0.960 80 N CB -0.431 38.041 38.487 -0.024 0.000 1.303 80 N HN 0.387 nan 8.380 nan 0.000 0.518 81 W N 1.326 122.597 121.300 -0.048 0.000 2.335 81 W HA -0.148 4.511 4.660 -0.000 0.000 0.311 81 W C 2.310 178.796 176.519 -0.056 0.000 1.213 81 W CA 0.953 58.260 57.345 -0.064 0.000 1.274 81 W CB -0.174 29.256 29.460 -0.051 0.000 1.148 81 W HN 0.325 nan 8.180 nan 0.000 0.498 82 E N 0.193 120.502 120.200 0.181 0.000 2.130 82 E HA -0.312 4.038 4.350 -0.000 0.000 0.196 82 E C 2.010 178.627 176.600 0.029 0.000 0.998 82 E CA 1.762 58.219 56.400 0.095 0.000 0.806 82 E CB -0.209 29.536 29.700 0.075 0.000 0.738 82 E HN 0.448 nan 8.360 nan 0.000 0.459 83 E N -0.306 119.893 120.200 -0.002 0.000 2.076 83 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 83 E C 2.201 178.755 176.600 -0.077 0.000 0.979 83 E CA 0.897 57.277 56.400 -0.033 0.000 0.807 83 E CB -0.205 29.475 29.700 -0.034 0.000 0.761 83 E HN 0.307 nan 8.360 nan 0.000 0.454 84 C N 0.746 119.957 119.300 -0.149 0.000 2.413 84 C HA -0.137 4.322 4.460 -0.000 0.000 0.277 84 C C 2.534 177.417 174.990 -0.179 0.000 1.228 84 C CA 0.755 59.626 59.018 -0.246 0.000 1.731 84 C CB -1.170 26.264 27.740 -0.510 0.000 2.042 84 C HN 0.457 nan 8.230 nan 0.000 0.468 85 L N 0.307 121.452 121.223 -0.130 0.000 1.915 85 L HA -0.198 4.142 4.340 -0.000 0.000 0.225 85 L C 2.565 179.409 176.870 -0.042 0.000 1.084 85 L CA 1.827 56.634 54.840 -0.055 0.000 0.788 85 L CB -1.159 40.916 42.059 0.027 0.000 0.892 85 L HN 0.357 nan 8.230 nan 0.000 0.434 86 L N -0.287 120.922 121.223 -0.023 0.000 2.198 86 L HA -0.346 3.994 4.340 -0.000 0.000 0.218 86 L C 2.749 179.600 176.870 -0.032 0.000 1.084 86 L CA 1.338 56.163 54.840 -0.025 0.000 0.779 86 L CB -0.857 41.193 42.059 -0.016 0.000 0.890 86 L HN 0.450 nan 8.230 nan 0.000 0.439 87 A N -0.202 122.593 122.820 -0.041 0.000 1.855 87 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 87 A C 1.586 179.150 177.584 -0.035 0.000 1.191 87 A CA 1.158 53.173 52.037 -0.037 0.000 0.613 87 A CB -0.615 18.359 19.000 -0.044 0.000 0.829 87 A HN 0.490 nan 8.150 nan 0.000 0.442 88 S N -0.100 115.574 115.700 -0.042 0.000 2.563 88 S HA 0.141 4.611 4.470 -0.000 0.000 0.284 88 S C -0.028 174.552 174.600 -0.032 0.000 1.331 88 S CA -0.014 58.165 58.200 -0.036 0.000 1.047 88 S CB 0.471 63.646 63.200 -0.042 0.000 0.859 88 S HN 0.373 nan 8.310 nan 0.000 0.514 89 Q N 1.969 121.751 119.800 -0.030 0.000 2.769 89 Q HA 0.499 4.839 4.340 -0.000 0.000 0.375 89 Q C 0.169 176.151 176.000 -0.029 0.000 0.996 89 Q CA -0.031 55.754 55.803 -0.029 0.000 1.042 89 Q CB 0.691 29.414 28.738 -0.026 0.000 1.329 89 Q HN 0.887 nan 8.270 nan 0.000 0.427 90 A N -0.294 122.508 122.820 -0.029 0.000 2.600 90 A HA 0.345 4.665 4.320 -0.000 0.000 0.252 90 A C 0.244 177.821 177.584 -0.011 0.000 1.200 90 A CA -0.011 52.011 52.037 -0.025 0.000 0.981 90 A CB 0.862 19.834 19.000 -0.048 0.000 1.207 90 A HN 0.163 nan 8.150 nan 0.000 0.577 91 V N -0.435 119.466 119.914 -0.021 0.000 2.638 91 V HA 0.848 4.968 4.120 -0.000 0.000 0.306 91 V C -0.475 175.590 176.094 -0.049 0.000 1.052 91 V CA -0.187 62.098 62.300 -0.026 0.000 0.885 91 V CB 0.955 32.773 31.823 -0.008 0.000 0.999 91 V HN 0.626 nan 8.190 nan 0.000 0.424 92 S N 3.269 118.919 115.700 -0.084 0.000 2.618 92 S HA 0.607 5.077 4.470 -0.000 0.000 0.277 92 S C 0.292 174.810 174.600 -0.138 0.000 1.138 92 S CA -1.068 57.075 58.200 -0.095 0.000 0.844 92 S CB 2.299 65.439 63.200 -0.101 0.000 1.127 92 S HN 0.685 nan 8.310 nan 0.000 0.474 93 R N 0.165 120.599 120.500 -0.111 0.000 2.235 93 R HA 0.237 4.577 4.340 -0.000 0.000 0.213 93 R C 1.373 177.536 176.300 -0.228 0.000 1.059 93 R CA 1.004 57.033 56.100 -0.117 0.000 0.997 93 R CB -0.253 30.020 30.300 -0.045 0.000 0.884 93 R HN 1.079 nan 8.270 nan 0.000 0.462 94 G N 0.310 108.948 108.800 -0.269 0.000 2.559 94 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.202 94 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.202 94 G C 0.231 175.038 174.900 -0.155 0.000 0.992 94 G CA 0.151 45.005 45.100 -0.410 0.000 0.764 94 G HN 0.365 nan 8.290 nan 0.000 0.525 95 D N 0.757 121.105 120.400 -0.087 0.000 2.113 95 D HA 0.076 4.716 4.640 -0.000 0.000 0.206 95 D C 1.105 177.388 176.300 -0.028 0.000 0.979 95 D CA 1.160 55.143 54.000 -0.028 0.000 0.862 95 D CB 0.023 40.813 40.800 -0.017 0.000 1.013 95 D HN 0.551 nan 8.370 nan 0.000 0.455 96 E N 0.440 120.615 120.200 -0.041 0.000 2.383 96 E HA 0.248 4.598 4.350 -0.000 0.000 0.264 96 E C -2.224 174.352 176.600 -0.039 0.000 1.050 96 E CA -1.454 54.927 56.400 -0.031 0.000 0.896 96 E CB 0.739 30.419 29.700 -0.032 0.000 0.982 96 E HN 0.232 nan 8.360 nan 0.000 0.424 97 P HA 0.084 nan 4.420 nan 0.000 0.271 97 P C -1.220 176.071 177.300 -0.015 0.000 1.226 97 P CA 0.256 63.352 63.100 -0.007 0.000 0.765 97 P CB 0.885 32.590 31.700 0.009 0.000 0.835 98 T N 4.510 119.051 114.554 -0.022 0.000 2.932 98 T HA 0.263 4.613 4.350 -0.000 0.000 0.318 98 T C -2.004 172.704 174.700 0.014 0.000 1.265 98 T CA -1.031 61.059 62.100 -0.015 0.000 1.036 98 T CB 1.781 70.620 68.868 -0.050 0.000 1.209 98 T HN 0.084 nan 8.240 nan 0.000 0.484 99 P HA -0.046 nan 4.420 nan 0.000 0.215 99 P C 0.164 177.544 177.300 0.134 0.000 1.153 99 P CA 1.349 64.530 63.100 0.135 0.000 0.853 99 P CB 0.175 31.987 31.700 0.185 0.000 0.788 100 M N -0.656 118.993 119.600 0.082 0.000 2.602 100 M HA 0.421 4.901 4.480 -0.000 0.000 0.312 100 M C -0.447 175.830 176.300 -0.039 0.000 1.181 100 M CA -0.890 54.451 55.300 0.068 0.000 0.910 100 M CB 2.690 35.354 32.600 0.107 0.000 1.723 100 M HN -0.317 nan 8.290 nan 0.000 0.459 101 I N 2.830 123.365 120.570 -0.058 0.000 2.545 101 I HA 0.438 4.608 4.170 -0.000 0.000 0.292 101 I C -1.139 174.950 176.117 -0.046 0.000 1.040 101 I CA -0.727 60.426 61.300 -0.245 0.000 1.068 101 I CB 1.839 39.366 38.000 -0.787 0.000 1.251 101 I HN 0.546 nan 8.210 nan 0.000 0.424 102 L N 6.848 128.028 121.223 -0.071 0.000 2.301 102 L HA 0.496 4.836 4.340 -0.000 0.000 0.278 102 L C -0.765 176.137 176.870 0.053 0.000 1.022 102 L CA -0.019 54.847 54.840 0.044 0.000 0.854 102 L CB 0.956 43.031 42.059 0.027 0.000 1.226 102 L HN 0.768 nan 8.230 nan 0.000 0.429 103 C N 5.229 124.648 119.300 0.198 0.000 2.432 103 C HA 0.892 5.351 4.460 -0.000 0.000 0.334 103 C C 0.565 175.733 174.990 0.296 0.000 1.155 103 C CA 0.631 59.795 59.018 0.244 0.000 1.335 103 C CB -0.369 27.596 27.740 0.375 0.000 1.964 103 C HN 1.321 nan 8.230 nan 0.000 0.444 104 G N 5.688 114.596 108.800 0.181 0.000 2.508 104 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.220 104 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.220 104 G C -0.454 174.507 174.900 0.101 0.000 1.287 104 G CA 0.312 45.495 45.100 0.138 0.000 0.916 104 G HN 0.688 nan 8.290 nan 0.000 0.574 105 D N 0.792 121.230 120.400 0.063 0.000 2.894 105 D HA 0.523 5.163 4.640 -0.000 0.000 0.273 105 D C 0.657 176.958 176.300 0.001 0.000 1.328 105 D CA -0.090 53.929 54.000 0.033 0.000 0.845 105 D CB 0.289 41.096 40.800 0.012 0.000 1.072 105 D HN 0.409 nan 8.370 nan 0.000 0.484 106 R N 0.202 120.720 120.500 0.031 0.000 2.589 106 R HA 0.601 4.941 4.340 -0.000 0.000 0.293 106 R C -1.258 175.020 176.300 -0.038 0.000 0.963 106 R CA -0.832 55.222 56.100 -0.075 0.000 0.905 106 R CB 1.465 31.696 30.300 -0.115 0.000 1.144 106 R HN 0.035 nan 8.270 nan 0.000 0.459 107 L N 3.880 125.015 121.223 -0.146 0.000 2.287 107 L HA 0.485 4.825 4.340 -0.000 0.000 0.287 107 L C -1.582 175.216 176.870 -0.120 0.000 1.022 107 L CA -0.262 54.557 54.840 -0.036 0.000 0.814 107 L CB 0.660 42.721 42.059 0.003 0.000 1.217 107 L HN 0.551 nan 8.230 nan 0.000 0.420 108 Y N 4.105 124.425 120.300 0.033 0.000 2.509 108 Y HA 0.519 5.069 4.550 -0.000 0.000 0.341 108 Y C -0.339 175.591 175.900 0.050 0.000 1.038 108 Y CA -0.786 57.350 58.100 0.061 0.000 1.089 108 Y CB 1.797 40.334 38.460 0.128 0.000 1.241 108 Y HN 0.350 nan 8.280 nan 0.000 0.468 109 L N 2.385 123.758 121.223 0.250 0.000 2.283 109 L HA 0.170 4.510 4.340 -0.000 0.000 0.287 109 L C 1.256 178.235 176.870 0.180 0.000 1.073 109 L CA 0.039 54.964 54.840 0.141 0.000 0.822 109 L CB 0.621 42.706 42.059 0.044 0.000 1.186 109 L HN 0.852 nan 8.230 nan 0.000 0.436 110 N N 2.866 121.646 118.700 0.132 0.000 2.161 110 N HA -0.339 4.401 4.740 -0.000 0.000 0.199 110 N C 1.778 177.403 175.510 0.192 0.000 0.990 110 N CA 2.405 55.533 53.050 0.130 0.000 0.902 110 N CB 0.081 38.614 38.487 0.076 0.000 1.074 110 N HN 0.532 nan 8.380 nan 0.000 0.556 111 R N -0.819 119.760 120.500 0.130 0.000 2.134 111 R HA -0.202 4.138 4.340 -0.000 0.000 0.248 111 R C 2.307 178.685 176.300 0.129 0.000 1.143 111 R CA 2.153 58.319 56.100 0.110 0.000 0.957 111 R CB -0.254 30.083 30.300 0.062 0.000 0.867 111 R HN 0.432 nan 8.270 nan 0.000 0.441 112 M N -1.379 118.324 119.600 0.172 0.000 2.086 112 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 112 M C 2.044 178.445 176.300 0.169 0.000 1.067 112 M CA 1.305 56.725 55.300 0.200 0.000 1.116 112 M CB -1.144 31.638 32.600 0.304 0.000 1.348 112 M HN 0.332 nan 8.290 nan 0.000 0.407 113 W N 0.633 121.871 121.300 -0.103 0.000 2.338 113 W HA -0.212 4.448 4.660 -0.000 0.000 0.304 113 W C 2.515 178.885 176.519 -0.248 0.000 1.212 113 W CA 1.566 58.617 57.345 -0.490 0.000 1.264 113 W CB -0.426 28.684 29.460 -0.582 0.000 1.142 113 W HN 0.217 nan 8.180 nan 0.000 0.512 114 C N 0.290 119.643 119.300 0.088 0.000 2.432 114 C HA -0.193 4.266 4.460 -0.000 0.000 0.277 114 C C 2.494 177.383 174.990 -0.169 0.000 1.249 114 C CA 1.774 60.744 59.018 -0.080 0.000 1.725 114 C CB -1.624 26.168 27.740 0.086 0.000 2.028 114 C HN 0.438 nan 8.230 nan 0.000 0.477 115 N N -0.176 118.482 118.700 -0.069 0.000 2.205 115 N HA -0.177 4.563 4.740 -0.000 0.000 0.186 115 N C 1.820 177.273 175.510 -0.095 0.000 1.015 115 N CA 1.025 54.041 53.050 -0.057 0.000 0.862 115 N CB -0.121 38.366 38.487 0.000 0.000 0.986 115 N HN 0.629 nan 8.380 nan 0.000 0.429 116 E N 0.993 121.104 120.200 -0.148 0.000 2.015 116 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 116 E C 1.985 178.429 176.600 -0.260 0.000 0.991 116 E CA 0.795 57.092 56.400 -0.171 0.000 0.802 116 E CB 0.158 29.740 29.700 -0.197 0.000 0.759 116 E HN 0.231 nan 8.360 nan 0.000 0.447 117 R N -0.219 120.015 120.500 -0.444 0.000 2.133 117 R HA -0.152 4.188 4.340 -0.000 0.000 0.247 117 R C 2.396 178.551 176.300 -0.241 0.000 1.151 117 R CA 1.817 57.652 56.100 -0.441 0.000 0.971 117 R CB -0.501 29.389 30.300 -0.683 0.000 0.866 117 R HN 0.166 nan 8.270 nan 0.000 0.447 118 T N 0.302 114.740 114.554 -0.193 0.000 2.881 118 T HA -0.067 4.283 4.350 -0.000 0.000 0.270 118 T C 1.795 176.475 174.700 -0.034 0.000 1.068 118 T CA 1.100 63.135 62.100 -0.109 0.000 1.131 118 T CB 0.040 68.845 68.868 -0.104 0.000 0.871 118 T HN 0.037 nan 8.240 nan 0.000 0.479 119 V N 1.074 120.989 119.914 0.003 0.000 2.535 119 V HA 0.029 4.149 4.120 -0.000 0.000 0.246 119 V C 2.740 179.041 176.094 0.345 0.000 1.045 119 V CA 1.238 63.654 62.300 0.193 0.000 1.058 119 V CB -0.946 30.991 31.823 0.189 0.000 0.689 119 V HN 0.464 nan 8.190 nan 0.000 0.461 120 A N 0.387 123.243 122.820 0.060 0.000 1.855 120 A HA -0.232 4.088 4.320 -0.000 0.000 0.215 120 A C 2.321 180.036 177.584 0.218 0.000 1.191 120 A CA 1.988 54.019 52.037 -0.010 0.000 0.613 120 A CB -0.554 18.225 19.000 -0.368 0.000 0.829 120 A HN 0.413 nan 8.150 nan 0.000 0.442 121 R N -1.372 119.186 120.500 0.096 0.000 2.119 121 R HA -0.164 4.176 4.340 -0.000 0.000 0.246 121 R C 1.914 178.342 176.300 0.213 0.000 1.146 121 R CA 1.922 58.090 56.100 0.113 0.000 0.962 121 R CB -0.659 29.664 30.300 0.037 0.000 0.863 121 R HN 0.659 nan 8.270 nan 0.000 0.442 122 F N -0.640 119.318 119.950 0.013 0.000 2.069 122 F HA -0.240 4.287 4.527 -0.000 0.000 0.298 122 F C 1.016 176.722 175.800 -0.157 0.000 1.113 122 F CA 1.072 58.984 58.000 -0.146 0.000 1.214 122 F CB -0.029 38.763 39.000 -0.347 0.000 0.978 122 F HN 0.016 nan 8.300 nan 0.000 0.474 123 F N 0.021 120.112 119.950 0.234 0.000 2.731 123 F HA 0.090 4.617 4.527 -0.000 0.000 0.304 123 F C 0.274 176.143 175.800 0.115 0.000 1.133 123 F CA 0.105 58.164 58.000 0.100 0.000 1.380 123 F CB -0.336 38.757 39.000 0.155 0.000 1.079 123 F HN -0.064 nan 8.300 nan 0.000 0.550 124 N N 0.555 119.411 118.700 0.260 0.000 2.622 124 N HA 0.023 4.763 4.740 -0.000 0.000 0.304 124 N C 0.668 176.239 175.510 0.103 0.000 1.844 124 N CA 0.234 53.389 53.050 0.176 0.000 0.886 124 N CB 0.478 39.089 38.487 0.206 0.000 1.366 124 N HN 0.287 nan 8.380 nan 0.000 0.491 125 E N -0.239 120.000 120.200 0.064 0.000 2.581 125 E HA 0.001 4.351 4.350 -0.000 0.000 0.195 125 E C -0.796 175.796 176.600 -0.015 0.000 0.936 125 E CA 0.181 56.602 56.400 0.035 0.000 1.387 125 E CB 0.424 30.160 29.700 0.060 0.000 1.424 125 E HN -0.069 nan 8.360 nan 0.000 0.742 126 V N 3.793 123.670 119.914 -0.061 0.000 2.617 126 V HA 0.081 4.201 4.120 -0.000 0.000 0.304 126 V C 0.561 176.643 176.094 -0.020 0.000 1.040 126 V CA 0.398 62.638 62.300 -0.100 0.000 1.149 126 V CB -0.226 31.540 31.823 -0.095 0.000 0.914 126 V HN 0.339 nan 8.190 nan 0.000 0.487 127 N N 2.218 120.914 118.700 -0.006 0.000 2.604 127 N HA 0.338 5.078 4.740 -0.000 0.000 0.297 127 N C -0.264 175.297 175.510 0.084 0.000 1.266 127 N CA -0.916 52.163 53.050 0.047 0.000 0.961 127 N CB 0.414 38.932 38.487 0.051 0.000 1.166 127 N HN 0.838 nan 8.380 nan 0.000 0.601 128 H N -1.048 118.014 119.070 -0.014 0.000 2.517 128 H HA 0.502 5.058 4.556 -0.000 0.000 0.317 128 H C -0.895 174.426 175.328 -0.012 0.000 1.080 128 H CA -1.068 54.972 56.048 -0.013 0.000 1.301 128 H CB 0.553 30.308 29.762 -0.011 0.000 1.425 128 H HN 0.751 nan 8.280 nan 0.000 0.471 129 A N 5.581 128.282 122.820 -0.198 0.000 2.496 129 A HA 0.113 4.433 4.320 -0.000 0.000 0.278 129 A C 1.042 178.288 177.584 -0.563 0.000 1.137 129 A CA -0.479 51.398 52.037 -0.266 0.000 0.805 129 A CB -0.843 18.079 19.000 -0.130 0.000 1.077 129 A HN 0.728 nan 8.150 nan 0.000 0.513 130 I N 1.862 122.003 120.570 -0.716 0.000 2.567 130 I HA -0.161 4.009 4.170 -0.000 0.000 0.257 130 I C 1.581 177.548 176.117 -0.252 0.000 1.184 130 I CA 0.852 61.732 61.300 -0.699 0.000 1.451 130 I CB -0.730 37.101 38.000 -0.283 0.000 1.089 130 I HN 0.773 nan 8.210 nan 0.000 0.441 131 E N 1.974 122.063 120.200 -0.185 0.000 2.522 131 E HA -0.043 4.307 4.350 -0.000 0.000 0.268 131 E C 0.452 177.013 176.600 -0.064 0.000 1.114 131 E CA -0.203 56.143 56.400 -0.091 0.000 1.074 131 E CB 0.034 29.689 29.700 -0.075 0.000 1.070 131 E HN 0.298 nan 8.360 nan 0.000 0.448 132 V N 2.280 122.171 119.914 -0.039 0.000 4.522 132 V HA -0.030 4.090 4.120 -0.000 0.000 0.153 132 V C 0.756 176.846 176.094 -0.006 0.000 1.321 132 V CA 0.510 62.806 62.300 -0.006 0.000 1.373 132 V CB -0.139 31.706 31.823 0.037 0.000 1.448 132 V HN 0.790 nan 8.190 nan 0.000 0.403 133 D N -0.239 120.162 120.400 0.001 0.000 2.718 133 D HA -0.178 4.462 4.640 -0.000 0.000 0.242 133 D C 1.185 177.481 176.300 -0.006 0.000 1.123 133 D CA 0.895 54.894 54.000 -0.002 0.000 0.690 133 D CB -0.835 39.962 40.800 -0.005 0.000 1.059 133 D HN 0.735 nan 8.370 nan 0.000 0.429 134 E N 0.060 120.257 120.200 -0.006 0.000 2.136 134 E HA -0.332 4.018 4.350 -0.000 0.000 0.202 134 E C 2.223 178.814 176.600 -0.014 0.000 1.019 134 E CA 1.583 57.975 56.400 -0.013 0.000 0.819 134 E CB -0.306 29.384 29.700 -0.016 0.000 0.739 134 E HN 0.632 nan 8.360 nan 0.000 0.458 135 A N 1.666 124.480 122.820 -0.011 0.000 1.884 135 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 135 A C 2.263 179.843 177.584 -0.007 0.000 1.197 135 A CA 1.888 53.919 52.037 -0.009 0.000 0.637 135 A CB -0.679 18.317 19.000 -0.007 0.000 0.827 135 A HN 0.270 nan 8.150 nan 0.000 0.450 136 L N -0.856 120.364 121.223 -0.006 0.000 2.044 136 L HA 0.013 4.353 4.340 -0.000 0.000 0.205 136 L C 2.268 179.137 176.870 -0.002 0.000 1.075 136 L CA 1.642 56.480 54.840 -0.003 0.000 0.747 136 L CB -0.444 41.613 42.059 -0.003 0.000 0.903 136 L HN 0.446 nan 8.230 nan 0.000 0.435 137 L N -0.418 120.802 121.223 -0.006 0.000 2.012 137 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 137 L C 2.545 179.412 176.870 -0.005 0.000 1.073 137 L CA 1.750 56.587 54.840 -0.005 0.000 0.748 137 L CB -0.595 41.456 42.059 -0.015 0.000 0.891 137 L HN 0.440 nan 8.230 nan 0.000 0.431 138 A N -0.614 122.197 122.820 -0.014 0.000 1.948 138 A HA -0.291 4.029 4.320 -0.000 0.000 0.220 138 A C 2.049 179.634 177.584 0.001 0.000 1.177 138 A CA 1.921 53.948 52.037 -0.017 0.000 0.636 138 A CB -0.488 18.498 19.000 -0.024 0.000 0.815 138 A HN 0.664 nan 8.150 nan 0.000 0.449 139 Q N -0.859 118.944 119.800 0.005 0.000 2.016 139 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 139 Q C 2.392 178.407 176.000 0.025 0.000 0.978 139 Q CA 2.032 57.842 55.803 0.012 0.000 0.833 139 Q CB -0.630 28.112 28.738 0.007 0.000 0.895 139 Q HN 0.880 nan 8.270 nan 0.000 0.427 140 T N -0.518 114.051 114.554 0.026 0.000 2.881 140 T HA -0.101 4.249 4.350 -0.000 0.000 0.270 140 T C 1.856 176.601 174.700 0.076 0.000 1.068 140 T CA 0.855 62.978 62.100 0.038 0.000 1.131 140 T CB -0.228 68.659 68.868 0.031 0.000 0.871 140 T HN 0.121 nan 8.240 nan 0.000 0.479 141 L N 0.410 121.682 121.223 0.081 0.000 2.068 141 L HA 0.052 4.392 4.340 -0.000 0.000 0.204 141 L C 2.946 179.927 176.870 0.186 0.000 1.076 141 L CA 1.274 56.206 54.840 0.153 0.000 0.753 141 L CB -0.551 41.531 42.059 0.038 0.000 0.910 141 L HN 0.184 nan 8.230 nan 0.000 0.439 142 D N 0.852 121.306 120.400 0.091 0.000 2.133 142 D HA -0.200 4.440 4.640 -0.000 0.000 0.195 142 D C 1.992 178.345 176.300 0.088 0.000 0.997 142 D CA 1.371 55.419 54.000 0.080 0.000 0.840 142 D CB 0.100 40.922 40.800 0.035 0.000 0.947 142 D HN 0.243 nan 8.370 nan 0.000 0.452 143 K N -0.254 120.185 120.400 0.065 0.000 2.439 143 K HA 0.008 4.328 4.320 -0.000 0.000 0.197 143 K C 1.875 178.486 176.600 0.019 0.000 1.041 143 K CA 0.266 56.574 56.287 0.036 0.000 0.970 143 K CB 0.319 32.832 32.500 0.021 0.000 0.773 143 K HN 0.210 nan 8.250 nan 0.000 0.479 144 L N -0.843 120.417 121.223 0.061 0.000 2.575 144 L HA 0.186 4.526 4.340 -0.000 0.000 0.228 144 L C -0.202 176.480 176.870 -0.312 0.000 1.075 144 L CA -0.038 54.751 54.840 -0.084 0.000 0.867 144 L CB 0.500 42.550 42.059 -0.015 0.000 1.097 144 L HN -0.028 nan 8.230 nan 0.000 0.485 145 F N -0.016 119.930 119.950 -0.007 0.000 2.500 145 F HA 0.355 4.882 4.527 -0.000 0.000 0.349 145 F C -1.894 173.901 175.800 -0.009 0.000 1.127 145 F CA -2.061 55.935 58.000 -0.006 0.000 0.998 145 F CB 0.942 39.936 39.000 -0.010 0.000 1.237 145 F HN -0.236 nan 8.300 nan 0.000 0.439 146 P HA -0.050 nan 4.420 nan 0.000 0.215 146 P C 1.223 178.561 177.300 0.063 0.000 1.160 146 P CA 0.808 63.942 63.100 0.057 0.000 0.869 146 P CB 0.376 32.086 31.700 0.016 0.000 0.782 147 V N 1.467 121.423 119.914 0.070 0.000 3.535 147 V HA -0.069 4.051 4.120 -0.000 0.000 0.276 147 V C 1.517 177.652 176.094 0.068 0.000 1.227 147 V CA 1.466 63.806 62.300 0.067 0.000 1.209 147 V CB -2.215 29.650 31.823 0.070 0.000 0.969 147 V HN 0.231 nan 8.190 nan 0.000 0.469 148 S N 0.011 115.750 115.700 0.065 0.000 2.805 148 S HA -0.136 4.334 4.470 -0.000 0.000 0.230 148 S C 1.301 175.900 174.600 -0.002 0.000 0.968 148 S CA 0.698 58.912 58.200 0.025 0.000 0.976 148 S CB -0.641 62.570 63.200 0.018 0.000 0.787 148 S HN 0.845 nan 8.310 nan 0.000 0.533 149 D N 1.151 121.561 120.400 0.016 0.000 2.097 149 D HA -0.122 4.518 4.640 -0.000 0.000 0.197 149 D C 0.993 177.293 176.300 0.000 0.000 0.984 149 D CA 0.932 54.939 54.000 0.011 0.000 0.826 149 D CB -0.207 40.610 40.800 0.028 0.000 0.973 149 D HN 0.369 nan 8.370 nan 0.000 0.460 150 E N 0.770 120.976 120.200 0.010 0.000 2.101 150 E HA 0.186 4.536 4.350 -0.000 0.000 0.260 150 E C -0.271 176.304 176.600 -0.042 0.000 0.897 150 E CA -1.081 55.319 56.400 -0.000 0.000 0.744 150 E CB 0.496 30.218 29.700 0.036 0.000 1.140 150 E HN 0.344 nan 8.360 nan 0.000 0.419 151 I N 4.466 124.967 120.570 -0.115 0.000 2.770 151 I HA -0.331 3.839 4.170 -0.000 0.000 0.144 151 I C -0.546 175.383 176.117 -0.313 0.000 0.891 151 I CA 0.792 61.922 61.300 -0.284 0.000 2.752 151 I CB 0.172 37.935 38.000 -0.395 0.000 0.585 151 I HN 0.362 nan 8.210 nan 0.000 0.353 152 N N 7.398 125.923 118.700 -0.292 0.000 2.558 152 N HA 0.124 4.864 4.740 -0.000 0.000 0.233 152 N C 0.392 175.767 175.510 -0.226 0.000 1.038 152 N CA -0.292 52.663 53.050 -0.158 0.000 0.934 152 N CB 0.205 38.655 38.487 -0.062 0.000 1.175 152 N HN 0.684 nan 8.380 nan 0.000 0.512 153 W N 1.698 123.002 121.300 0.007 0.000 2.325 153 W HA -0.177 4.483 4.660 -0.000 0.000 0.299 153 W C 1.946 178.445 176.519 -0.032 0.000 1.215 153 W CA 0.578 57.922 57.345 -0.001 0.000 1.244 153 W CB 0.124 29.601 29.460 0.028 0.000 1.140 153 W HN 0.575 nan 8.180 nan 0.000 0.523 154 Q N 0.136 120.054 119.800 0.196 0.000 2.291 154 Q HA -0.208 4.132 4.340 -0.000 0.000 0.206 154 Q C 1.997 177.858 176.000 -0.233 0.000 0.976 154 Q CA 1.202 57.088 55.803 0.138 0.000 0.875 154 Q CB -0.347 28.583 28.738 0.320 0.000 0.927 154 Q HN 0.383 nan 8.270 nan 0.000 0.450 155 K N 0.486 120.576 120.400 -0.517 0.000 2.186 155 K HA -0.038 4.282 4.320 -0.000 0.000 0.202 155 K C 1.904 178.207 176.600 -0.495 0.000 1.052 155 K CA 0.374 56.046 56.287 -1.025 0.000 0.965 155 K CB 0.379 32.386 32.500 -0.821 0.000 0.746 155 K HN -0.010 nan 8.250 nan 0.000 0.457 156 V N 1.479 121.229 119.914 -0.272 0.000 2.270 156 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 156 V C 2.404 178.479 176.094 -0.032 0.000 1.043 156 V CA 1.879 64.089 62.300 -0.149 0.000 1.014 156 V CB -0.826 30.970 31.823 -0.045 0.000 0.645 156 V HN 0.419 nan 8.190 nan 0.000 0.447 157 A N 0.550 123.411 122.820 0.068 0.000 1.881 157 A HA -0.335 3.985 4.320 -0.000 0.000 0.219 157 A C 2.467 180.067 177.584 0.027 0.000 1.215 157 A CA 3.247 55.342 52.037 0.095 0.000 0.648 157 A CB -1.265 17.804 19.000 0.114 0.000 0.832 157 A HN 0.663 nan 8.150 nan 0.000 0.455 158 A N -0.517 122.277 122.820 -0.044 0.000 1.859 158 A HA 0.022 4.342 4.320 -0.000 0.000 0.217 158 A C 2.623 180.181 177.584 -0.043 0.000 1.198 158 A CA 3.161 55.178 52.037 -0.033 0.000 0.629 158 A CB -1.411 17.543 19.000 -0.077 0.000 0.830 158 A HN 1.449 nan 8.150 nan 0.000 0.446 159 A N -0.782 121.977 122.820 -0.102 0.000 1.892 159 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 159 A C 2.266 179.819 177.584 -0.052 0.000 1.188 159 A CA 2.192 54.177 52.037 -0.087 0.000 0.631 159 A CB -1.210 17.708 19.000 -0.136 0.000 0.822 159 A HN 0.499 nan 8.150 nan 0.000 0.447 160 V N -0.149 119.748 119.914 -0.030 0.000 2.214 160 V HA -0.310 3.810 4.120 -0.000 0.000 0.247 160 V C 3.072 179.183 176.094 0.029 0.000 1.051 160 V CA 2.323 64.635 62.300 0.020 0.000 1.003 160 V CB -1.557 30.334 31.823 0.114 0.000 0.635 160 V HN 0.658 nan 8.190 nan 0.000 0.447 161 A N -0.304 122.540 122.820 0.040 0.000 1.958 161 A HA -0.230 4.090 4.320 -0.000 0.000 0.221 161 A C 2.134 179.724 177.584 0.009 0.000 1.178 161 A CA 2.259 54.315 52.037 0.032 0.000 0.642 161 A CB -0.748 18.276 19.000 0.040 0.000 0.816 161 A HN 0.574 nan 8.150 nan 0.000 0.453 162 L N -0.301 120.922 121.223 0.001 0.000 2.552 162 L HA -0.033 4.307 4.340 -0.000 0.000 0.227 162 L C 1.963 178.822 176.870 -0.020 0.000 1.146 162 L CA 1.303 56.138 54.840 -0.009 0.000 0.858 162 L CB -0.332 41.722 42.059 -0.007 0.000 0.969 162 L HN 0.634 nan 8.230 nan 0.000 0.451 163 T N -3.985 110.561 114.554 -0.013 0.000 3.129 163 T HA 0.266 4.616 4.350 -0.000 0.000 0.267 163 T C 0.620 175.320 174.700 0.001 0.000 1.018 163 T CA -0.468 61.625 62.100 -0.012 0.000 0.903 163 T CB 0.263 69.134 68.868 0.004 0.000 1.067 163 T HN -0.022 nan 8.240 nan 0.000 0.549 164 R N 0.489 120.986 120.500 -0.004 0.000 2.698 164 R HA 0.465 4.805 4.340 -0.000 0.000 0.275 164 R C 0.569 176.850 176.300 -0.032 0.000 1.001 164 R CA -0.774 55.325 56.100 -0.001 0.000 0.896 164 R CB 1.781 32.095 30.300 0.023 0.000 1.218 164 R HN 0.022 nan 8.270 nan 0.000 0.462 165 R N 1.038 121.506 120.500 -0.054 0.000 2.075 165 R HA 0.097 4.437 4.340 -0.000 0.000 0.232 165 R C 0.126 176.351 176.300 -0.125 0.000 1.126 165 R CA 1.379 57.427 56.100 -0.087 0.000 0.963 165 R CB 0.234 30.474 30.300 -0.099 0.000 0.858 165 R HN 0.459 nan 8.270 nan 0.000 0.435 166 I N 0.680 121.161 120.570 -0.149 0.000 2.509 166 I HA 0.174 4.344 4.170 -0.000 0.000 0.293 166 I C -0.884 175.241 176.117 0.014 0.000 1.020 166 I CA -0.527 60.679 61.300 -0.157 0.000 1.088 166 I CB 2.332 40.054 38.000 -0.462 0.000 1.267 166 I HN 0.060 nan 8.210 nan 0.000 0.430 167 S N 4.409 120.177 115.700 0.114 0.000 2.533 167 S HA 0.762 5.232 4.470 -0.000 0.000 0.271 167 S C -1.072 173.685 174.600 0.262 0.000 1.143 167 S CA -0.852 57.447 58.200 0.165 0.000 0.891 167 S CB 1.849 65.105 63.200 0.093 0.000 1.105 167 S HN 0.219 nan 8.310 nan 0.000 0.468 168 V N 2.908 122.960 119.914 0.230 0.000 2.555 168 V HA 0.566 4.686 4.120 -0.000 0.000 0.302 168 V C -0.926 175.243 176.094 0.125 0.000 1.038 168 V CA -0.727 61.705 62.300 0.219 0.000 0.887 168 V CB 1.485 33.387 31.823 0.132 0.000 0.991 168 V HN 0.848 nan 8.190 nan 0.000 0.434 169 I N 3.566 124.209 120.570 0.121 0.000 2.411 169 I HA 0.390 4.560 4.170 -0.000 0.000 0.284 169 I C 0.112 176.260 176.117 0.052 0.000 1.012 169 I CA -0.001 61.347 61.300 0.081 0.000 1.119 169 I CB 1.556 39.609 38.000 0.089 0.000 1.261 169 I HN 0.634 nan 8.210 nan 0.000 0.448 170 S N 4.559 120.262 115.700 0.006 0.000 2.489 170 S HA 0.917 5.387 4.470 -0.000 0.000 0.291 170 S C -0.181 174.405 174.600 -0.023 0.000 1.151 170 S CA -0.302 57.888 58.200 -0.018 0.000 1.082 170 S CB 1.493 64.655 63.200 -0.063 0.000 1.019 170 S HN 0.914 nan 8.310 nan 0.000 0.492 171 G N 1.898 110.694 108.800 -0.006 0.000 2.704 171 G HA2 0.638 4.598 3.960 -0.000 0.000 0.293 171 G HA3 0.638 4.598 3.960 -0.000 0.000 0.293 171 G C -0.209 174.701 174.900 0.017 0.000 1.421 171 G CA -0.338 44.761 45.100 -0.003 0.000 0.870 171 G HN 0.993 nan 8.290 nan 0.000 0.492 172 G N -0.579 108.235 108.800 0.024 0.000 2.557 172 G HA2 0.544 4.504 3.960 -0.000 0.000 0.292 172 G HA3 0.544 4.504 3.960 -0.000 0.000 0.292 172 G C -1.276 173.646 174.900 0.037 0.000 1.237 172 G CA -1.063 44.079 45.100 0.070 0.000 0.978 172 G HN 0.376 nan 8.290 nan 0.000 0.498 173 P HA 0.034 nan 4.420 nan 0.000 0.221 173 P C 1.696 178.985 177.300 -0.019 0.000 1.150 173 P CA 1.120 64.208 63.100 -0.020 0.000 0.800 173 P CB 0.214 31.877 31.700 -0.062 0.000 0.787 174 G N -1.073 107.721 108.800 -0.010 0.000 2.882 174 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.206 174 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.206 174 G C 0.236 175.140 174.900 0.006 0.000 1.155 174 G CA 0.285 45.378 45.100 -0.011 0.000 0.800 174 G HN 0.229 nan 8.290 nan 0.000 0.524 175 T N -0.717 113.846 114.554 0.016 0.000 2.945 175 T HA 0.517 4.867 4.350 -0.000 0.000 0.286 175 T C 0.734 175.456 174.700 0.037 0.000 1.025 175 T CA -0.096 62.024 62.100 0.034 0.000 1.039 175 T CB 2.030 70.924 68.868 0.042 0.000 1.068 175 T HN -0.000 nan 8.240 nan 0.000 0.497 176 G N 0.729 109.563 108.800 0.057 0.000 3.458 176 G HA2 0.168 4.128 3.960 -0.000 0.000 0.256 176 G HA3 0.168 4.128 3.960 -0.000 0.000 0.256 176 G C 0.848 175.792 174.900 0.072 0.000 0.938 176 G CA -0.339 44.795 45.100 0.056 0.000 1.890 176 G HN 0.700 nan 8.290 nan 0.000 0.639 177 K N 0.282 120.716 120.400 0.057 0.000 2.062 177 K HA -0.088 4.232 4.320 -0.000 0.000 0.205 177 K C 2.615 179.248 176.600 0.055 0.000 1.051 177 K CA 1.517 57.841 56.287 0.062 0.000 0.941 177 K CB -0.037 32.491 32.500 0.046 0.000 0.719 177 K HN 0.338 nan 8.250 nan 0.000 0.440 178 T N -0.070 114.506 114.554 0.036 0.000 2.569 178 T HA -0.180 4.170 4.350 -0.000 0.000 0.263 178 T C 1.874 176.592 174.700 0.030 0.000 1.074 178 T CA 2.933 65.048 62.100 0.025 0.000 1.176 178 T CB -0.772 68.102 68.868 0.009 0.000 0.863 178 T HN 0.557 nan 8.240 nan 0.000 0.410 179 T N -0.993 113.577 114.554 0.027 0.000 2.849 179 T HA -0.109 4.241 4.350 -0.000 0.000 0.270 179 T C 2.139 176.869 174.700 0.051 0.000 1.066 179 T CA 2.105 64.215 62.100 0.017 0.000 1.130 179 T CB -1.270 67.596 68.868 -0.003 0.000 0.864 179 T HN 0.494 nan 8.240 nan 0.000 0.481 180 T N 0.845 115.463 114.554 0.107 0.000 2.770 180 T HA -0.026 4.324 4.350 -0.000 0.000 0.263 180 T C 2.007 176.799 174.700 0.153 0.000 1.039 180 T CA 1.126 63.343 62.100 0.195 0.000 1.142 180 T CB -0.674 68.316 68.868 0.204 0.000 0.868 180 T HN 0.254 nan 8.240 nan 0.000 0.435 181 V N 2.037 122.010 119.914 0.098 0.000 2.453 181 V HA -0.165 3.955 4.120 -0.000 0.000 0.252 181 V C 2.903 179.032 176.094 0.058 0.000 1.068 181 V CA 1.854 64.197 62.300 0.071 0.000 1.070 181 V CB -1.344 30.508 31.823 0.048 0.000 0.664 181 V HN 0.622 nan 8.190 nan 0.000 0.461 182 A N 0.213 123.061 122.820 0.046 0.000 1.835 182 A HA -0.236 4.084 4.320 -0.000 0.000 0.215 182 A C 2.273 179.870 177.584 0.022 0.000 1.199 182 A CA 2.022 54.071 52.037 0.020 0.000 0.615 182 A CB -0.510 18.488 19.000 -0.002 0.000 0.838 182 A HN 0.527 nan 8.150 nan 0.000 0.444 183 K N -0.115 120.296 120.400 0.018 0.000 2.147 183 K HA -0.076 4.244 4.320 -0.000 0.000 0.205 183 K C 1.957 178.627 176.600 0.117 0.000 1.049 183 K CA 1.037 57.331 56.287 0.012 0.000 0.936 183 K CB -0.420 31.995 32.500 -0.140 0.000 0.722 183 K HN 0.438 nan 8.250 nan 0.000 0.446 184 L N 1.564 122.880 121.223 0.155 0.000 2.013 184 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 184 L C 1.798 178.711 176.870 0.071 0.000 1.073 184 L CA 1.903 56.819 54.840 0.127 0.000 0.753 184 L CB -0.554 41.568 42.059 0.105 0.000 0.890 184 L HN 0.261 nan 8.230 nan 0.000 0.432 185 L N -0.672 120.579 121.223 0.048 0.000 2.249 185 L HA -0.003 4.337 4.340 -0.000 0.000 0.207 185 L C 2.811 179.694 176.870 0.022 0.000 1.090 185 L CA 0.670 55.526 54.840 0.026 0.000 0.802 185 L CB -0.666 41.402 42.059 0.014 0.000 0.947 185 L HN 0.257 nan 8.230 nan 0.000 0.453 186 A N 0.626 123.459 122.820 0.021 0.000 1.948 186 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 186 A C 2.480 180.076 177.584 0.019 0.000 1.177 186 A CA 1.971 54.015 52.037 0.011 0.000 0.636 186 A CB -0.547 18.453 19.000 -0.000 0.000 0.815 186 A HN 0.407 nan 8.150 nan 0.000 0.449 187 A N -0.888 121.955 122.820 0.037 0.000 1.968 187 A HA 0.119 4.439 4.320 -0.000 0.000 0.217 187 A C 2.153 179.751 177.584 0.023 0.000 1.169 187 A CA 1.172 53.232 52.037 0.039 0.000 0.638 187 A CB -0.434 18.605 19.000 0.066 0.000 0.812 187 A HN 0.487 nan 8.150 nan 0.000 0.446 188 L N -0.466 120.769 121.223 0.020 0.000 2.027 188 L HA -0.158 4.182 4.340 -0.000 0.000 0.206 188 L C 2.461 179.335 176.870 0.006 0.000 1.074 188 L CA 1.404 56.250 54.840 0.010 0.000 0.745 188 L CB -0.283 41.781 42.059 0.008 0.000 0.898 188 L HN 0.409 nan 8.230 nan 0.000 0.433 189 I N -0.700 119.874 120.570 0.007 0.000 2.142 189 I HA -0.371 3.799 4.170 -0.000 0.000 0.240 189 I C 2.548 178.667 176.117 0.003 0.000 1.078 189 I CA 1.395 62.697 61.300 0.003 0.000 1.343 189 I CB -0.302 37.699 38.000 0.002 0.000 1.046 189 I HN 0.347 nan 8.210 nan 0.000 0.405 190 Q N 0.031 119.834 119.800 0.005 0.000 2.152 190 Q HA -0.195 4.144 4.340 -0.000 0.000 0.206 190 Q C 1.948 177.950 176.000 0.003 0.000 0.985 190 Q CA 1.538 57.343 55.803 0.004 0.000 0.863 190 Q CB -0.068 28.674 28.738 0.008 0.000 0.904 190 Q HN 0.528 nan 8.270 nan 0.000 0.422 191 M N -0.573 119.030 119.600 0.004 0.000 2.568 191 M HA 0.138 4.618 4.480 -0.000 0.000 0.226 191 M C 0.060 176.358 176.300 -0.003 0.000 1.148 191 M CA -0.201 55.099 55.300 -0.000 0.000 1.007 191 M CB 0.533 33.133 32.600 -0.001 0.000 1.651 191 M HN -0.027 nan 8.290 nan 0.000 0.488 192 A N 1.037 123.856 122.820 -0.002 0.000 3.078 192 A HA 0.141 4.461 4.320 -0.000 0.000 0.279 192 A C 0.702 178.283 177.584 -0.005 0.000 1.594 192 A CA -0.479 51.555 52.037 -0.004 0.000 1.301 192 A CB -0.412 18.586 19.000 -0.002 0.000 1.162 192 A HN 0.355 nan 8.150 nan 0.000 0.585 193 D N 1.817 122.214 120.400 -0.006 0.000 2.866 193 D HA -0.289 4.351 4.640 -0.000 0.000 0.362 193 D C 1.730 178.026 176.300 -0.007 0.000 1.109 193 D CA 2.768 56.764 54.000 -0.007 0.000 1.179 193 D CB -0.317 40.478 40.800 -0.008 0.000 1.317 193 D HN 0.539 nan 8.370 nan 0.000 0.500 194 G N 0.079 108.874 108.800 -0.009 0.000 2.535 194 G HA2 0.193 4.153 3.960 -0.000 0.000 0.210 194 G HA3 0.193 4.153 3.960 -0.000 0.000 0.210 194 G C 0.683 175.578 174.900 -0.009 0.000 1.593 194 G CA 1.192 46.287 45.100 -0.009 0.000 0.948 194 G HN 0.562 nan 8.290 nan 0.000 0.476 195 E N -3.327 116.867 120.200 -0.010 0.000 2.296 195 E HA 0.640 4.990 4.350 -0.000 0.000 0.224 195 E C -0.651 175.943 176.600 -0.009 0.000 0.949 195 E CA -1.083 55.312 56.400 -0.009 0.000 0.879 195 E CB 0.723 30.417 29.700 -0.010 0.000 1.922 195 E HN 0.010 nan 8.360 nan 0.000 0.437 196 R N -0.893 119.602 120.500 -0.008 0.000 2.496 196 R HA -0.113 4.227 4.340 -0.000 0.000 0.326 196 R C -1.649 174.655 176.300 0.008 0.000 1.032 196 R CA 0.780 56.877 56.100 -0.005 0.000 0.827 196 R CB -1.679 28.609 30.300 -0.019 0.000 2.368 196 R HN 0.800 nan 8.270 nan 0.000 0.490 197 C N 4.316 123.623 119.300 0.013 0.000 3.309 197 C HA 0.475 4.935 4.460 -0.000 0.000 0.335 197 C C -0.544 174.458 174.990 0.019 0.000 1.018 197 C CA -0.879 58.151 59.018 0.020 0.000 1.326 197 C CB 0.149 27.895 27.740 0.011 0.000 1.752 197 C HN 0.618 nan 8.230 nan 0.000 0.567 198 R N 3.955 124.473 120.500 0.031 0.000 2.229 198 R HA 0.719 5.059 4.340 -0.000 0.000 0.328 198 R C -0.632 175.679 176.300 0.018 0.000 1.009 198 R CA -0.051 56.065 56.100 0.027 0.000 0.864 198 R CB 0.692 31.018 30.300 0.042 0.000 1.085 198 R HN 0.675 nan 8.270 nan 0.000 0.453 199 I N 2.836 123.410 120.570 0.007 0.000 2.354 199 I HA 0.416 4.586 4.170 -0.000 0.000 0.292 199 I C 0.247 176.360 176.117 -0.007 0.000 0.989 199 I CA -0.504 60.794 61.300 -0.004 0.000 1.188 199 I CB 1.344 39.340 38.000 -0.007 0.000 1.342 199 I HN 0.323 nan 8.210 nan 0.000 0.457 200 R N 5.998 126.488 120.500 -0.016 0.000 2.534 200 R HA 0.678 5.018 4.340 -0.000 0.000 0.301 200 R C -1.069 175.213 176.300 -0.029 0.000 0.961 200 R CA -0.790 55.299 56.100 -0.019 0.000 0.871 200 R CB 2.075 32.368 30.300 -0.013 0.000 1.170 200 R HN 0.515 nan 8.270 nan 0.000 0.446 201 L N 1.616 122.823 121.223 -0.027 0.000 2.416 201 L HA 0.864 5.204 4.340 -0.000 0.000 0.262 201 L C 0.009 176.863 176.870 -0.027 0.000 1.093 201 L CA -0.665 54.158 54.840 -0.027 0.000 0.801 201 L CB 1.413 43.460 42.059 -0.021 0.000 1.191 201 L HN 0.743 nan 8.230 nan 0.000 0.459 202 A N 0.701 123.511 122.820 -0.017 0.000 2.586 202 A HA 0.782 5.102 4.320 -0.000 0.000 0.296 202 A C -1.581 176.014 177.584 0.018 0.000 1.040 202 A CA -0.015 52.019 52.037 -0.005 0.000 0.701 202 A CB 1.099 20.097 19.000 -0.003 0.000 1.277 202 A HN 0.868 nan 8.150 nan 0.000 0.413 203 A N 1.952 124.787 122.820 0.026 0.000 2.527 203 A HA 0.973 5.293 4.320 -0.000 0.000 0.293 203 A C -2.383 175.232 177.584 0.051 0.000 1.117 203 A CA -1.316 50.746 52.037 0.043 0.000 0.723 203 A CB 1.221 20.238 19.000 0.028 0.000 1.313 203 A HN 0.507 nan 8.150 nan 0.000 0.411 204 P HA -0.005 nan 4.420 nan 0.000 0.217 204 P C 0.769 178.099 177.300 0.049 0.000 1.154 204 P CA 1.573 64.707 63.100 0.058 0.000 0.841 204 P CB -0.212 31.523 31.700 0.058 0.000 0.788 205 T N -3.581 110.996 114.554 0.039 0.000 2.875 205 T HA 0.514 4.864 4.350 -0.000 0.000 0.284 205 T C 1.619 176.339 174.700 0.034 0.000 0.995 205 T CA -0.209 61.913 62.100 0.037 0.000 1.060 205 T CB 1.323 70.209 68.868 0.029 0.000 0.967 205 T HN 0.022 nan 8.240 nan 0.000 0.476 206 G N 1.564 110.389 108.800 0.041 0.000 2.469 206 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.220 206 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.220 206 G C 1.296 176.210 174.900 0.023 0.000 1.136 206 G CA 0.979 46.101 45.100 0.037 0.000 0.759 206 G HN 0.854 nan 8.290 nan 0.000 0.562 207 K N 0.555 120.969 120.400 0.023 0.000 2.209 207 K HA 0.103 4.423 4.320 -0.000 0.000 0.204 207 K C 2.621 179.222 176.600 0.001 0.000 1.048 207 K CA 1.214 57.509 56.287 0.012 0.000 0.940 207 K CB -0.227 32.281 32.500 0.012 0.000 0.729 207 K HN 0.249 nan 8.250 nan 0.000 0.451 208 A N 0.906 123.728 122.820 0.004 0.000 1.874 208 A HA 0.082 4.402 4.320 -0.000 0.000 0.214 208 A C 2.344 179.928 177.584 0.000 0.000 1.189 208 A CA 1.209 53.246 52.037 -0.000 0.000 0.615 208 A CB -0.810 18.194 19.000 0.007 0.000 0.830 208 A HN 0.403 nan 8.150 nan 0.000 0.443 209 A N 0.292 123.115 122.820 0.004 0.000 1.927 209 A HA 0.018 4.338 4.320 -0.000 0.000 0.220 209 A C 2.485 180.063 177.584 -0.009 0.000 1.185 209 A CA 2.517 54.552 52.037 -0.004 0.000 0.639 209 A CB -1.180 17.815 19.000 -0.008 0.000 0.820 209 A HN 1.128 nan 8.150 nan 0.000 0.451 210 A N -0.055 122.762 122.820 -0.006 0.000 1.852 210 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 210 A C 2.223 179.801 177.584 -0.011 0.000 1.215 210 A CA 2.004 54.037 52.037 -0.007 0.000 0.641 210 A CB -0.683 18.316 19.000 -0.003 0.000 0.838 210 A HN 0.581 nan 8.150 nan 0.000 0.450 211 R N -0.820 119.672 120.500 -0.012 0.000 2.103 211 R HA -0.100 4.240 4.340 -0.000 0.000 0.242 211 R C 2.234 178.526 176.300 -0.013 0.000 1.142 211 R CA 1.294 57.385 56.100 -0.016 0.000 0.960 211 R CB -0.664 29.623 30.300 -0.022 0.000 0.858 211 R HN 0.544 nan 8.270 nan 0.000 0.439 212 L N 1.049 122.266 121.223 -0.009 0.000 1.976 212 L HA -0.286 4.054 4.340 -0.000 0.000 0.223 212 L C 2.165 179.030 176.870 -0.009 0.000 1.081 212 L CA 2.691 57.527 54.840 -0.007 0.000 0.784 212 L CB -1.095 40.961 42.059 -0.005 0.000 0.896 212 L HN 0.425 nan 8.230 nan 0.000 0.438 213 T N -0.928 113.619 114.554 -0.012 0.000 2.652 213 T HA -0.243 4.107 4.350 -0.000 0.000 0.267 213 T C 1.360 176.053 174.700 -0.012 0.000 1.039 213 T CA 1.404 63.496 62.100 -0.013 0.000 1.153 213 T CB -0.828 68.031 68.868 -0.015 0.000 0.863 213 T HN 0.628 nan 8.240 nan 0.000 0.428 214 E N 2.046 122.239 120.200 -0.012 0.000 2.533 214 E HA -0.022 4.328 4.350 -0.000 0.000 0.203 214 E C 1.429 178.021 176.600 -0.013 0.000 1.101 214 E CA 0.980 57.373 56.400 -0.012 0.000 0.894 214 E CB -0.414 29.279 29.700 -0.011 0.000 0.843 214 E HN 0.756 nan 8.360 nan 0.000 0.552 215 S N -0.542 115.150 115.700 -0.013 0.000 2.761 215 S HA 0.100 4.570 4.470 -0.000 0.000 0.273 215 S C 1.502 176.096 174.600 -0.011 0.000 1.073 215 S CA -0.527 57.665 58.200 -0.013 0.000 1.048 215 S CB -0.244 62.948 63.200 -0.014 0.000 0.955 215 S HN 0.197 nan 8.310 nan 0.000 0.500 216 L N 1.827 123.045 121.223 -0.008 0.000 2.478 216 L HA 0.220 4.560 4.340 -0.000 0.000 0.223 216 L C 2.028 178.893 176.870 -0.009 0.000 1.140 216 L CA 1.285 56.121 54.840 -0.006 0.000 0.842 216 L CB -0.448 41.608 42.059 -0.004 0.000 0.953 216 L HN 0.595 nan 8.230 nan 0.000 0.452 217 G N -0.534 108.259 108.800 -0.010 0.000 2.524 217 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.210 217 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.210 217 G C 1.495 176.387 174.900 -0.013 0.000 1.187 217 G CA 0.291 45.384 45.100 -0.011 0.000 0.825 217 G HN 0.143 nan 8.290 nan 0.000 0.558 218 K N 0.699 121.091 120.400 -0.013 0.000 1.990 218 K HA -0.187 4.133 4.320 -0.000 0.000 0.225 218 K C 2.620 179.210 176.600 -0.018 0.000 1.053 218 K CA 2.016 58.294 56.287 -0.015 0.000 0.982 218 K CB -0.570 31.921 32.500 -0.016 0.000 0.734 218 K HN 0.154 nan 8.250 nan 0.000 0.448 219 A N 1.127 123.936 122.820 -0.019 0.000 2.084 219 A HA -0.147 4.173 4.320 -0.000 0.000 0.221 219 A C 2.099 179.668 177.584 -0.025 0.000 1.161 219 A CA 1.414 53.437 52.037 -0.023 0.000 0.653 219 A CB -0.453 18.535 19.000 -0.020 0.000 0.802 219 A HN 0.526 nan 8.150 nan 0.000 0.457 220 L N -1.624 119.587 121.223 -0.020 0.000 2.249 220 L HA 0.014 4.354 4.340 -0.000 0.000 0.207 220 L C 2.295 179.153 176.870 -0.020 0.000 1.090 220 L CA 0.408 55.237 54.840 -0.019 0.000 0.802 220 L CB -0.220 41.831 42.059 -0.013 0.000 0.947 220 L HN 0.260 nan 8.230 nan 0.000 0.453 221 R N 0.142 120.631 120.500 -0.018 0.000 2.189 221 R HA -0.100 4.240 4.340 -0.000 0.000 0.223 221 R C 1.752 178.040 176.300 -0.020 0.000 1.092 221 R CA 0.696 56.786 56.100 -0.017 0.000 0.989 221 R CB -0.427 29.864 30.300 -0.014 0.000 0.876 221 R HN 0.600 nan 8.270 nan 0.000 0.457 222 Q N 1.027 120.813 119.800 -0.025 0.000 1.406 222 Q HA 0.020 4.360 4.340 -0.000 0.000 0.606 222 Q C 0.705 176.685 176.000 -0.034 0.000 0.922 222 Q CA 0.302 56.087 55.803 -0.029 0.000 0.902 222 Q CB -0.608 28.109 28.738 -0.034 0.000 0.946 222 Q HN 0.263 nan 8.270 nan 0.000 0.350 223 L N 1.490 122.686 121.223 -0.045 0.000 4.111 223 L HA -0.071 4.269 4.340 -0.000 0.000 0.508 223 L C -1.980 174.866 176.870 -0.040 0.000 1.131 223 L CA -0.863 53.944 54.840 -0.054 0.000 0.614 223 L CB -0.947 41.069 42.059 -0.071 0.000 0.820 223 L HN 0.273 nan 8.230 nan 0.000 0.967 224 P HA 0.005 nan 4.420 nan 0.000 0.212 224 P C -0.555 176.731 177.300 -0.023 0.000 1.069 224 P CA 0.669 63.752 63.100 -0.029 0.000 1.331 224 P CB -0.008 31.674 31.700 -0.029 0.000 1.513 225 L N 3.043 124.255 121.223 -0.019 0.000 2.596 225 L HA 0.331 4.671 4.340 -0.000 0.000 0.265 225 L C -0.102 176.761 176.870 -0.012 0.000 0.962 225 L CA -0.054 54.777 54.840 -0.015 0.000 0.891 225 L CB 1.711 43.761 42.059 -0.015 0.000 1.248 225 L HN -0.032 nan 8.230 nan 0.000 0.410 226 T N -0.747 113.801 114.554 -0.010 0.000 3.252 226 T HA 0.073 4.423 4.350 -0.000 0.000 0.295 226 T C -0.027 174.669 174.700 -0.007 0.000 0.897 226 T CA -0.108 61.986 62.100 -0.009 0.000 0.905 226 T CB -0.011 68.851 68.868 -0.009 0.000 1.202 226 T HN 0.726 nan 8.240 nan 0.000 0.592 227 D N 3.127 123.523 120.400 -0.007 0.000 2.662 227 D HA 0.035 4.675 4.640 -0.000 0.000 0.228 227 D C -0.563 175.734 176.300 -0.005 0.000 1.090 227 D CA 0.114 54.110 54.000 -0.006 0.000 1.118 227 D CB -0.182 40.615 40.800 -0.005 0.000 1.129 227 D HN 0.050 nan 8.370 nan 0.000 0.472 228 E N 0.948 121.144 120.200 -0.005 0.000 5.191 228 E HA -0.228 4.122 4.350 -0.000 0.000 0.242 228 E C -0.598 175.999 176.600 -0.005 0.000 1.756 228 E CA 0.445 56.842 56.400 -0.005 0.000 1.170 228 E CB -1.076 28.621 29.700 -0.005 0.000 0.962 228 E HN 0.624 nan 8.360 nan 0.000 0.326 229 Q N 2.254 122.050 119.800 -0.005 0.000 3.184 229 Q HA 0.105 4.445 4.340 -0.000 0.000 0.288 229 Q C 0.040 176.037 176.000 -0.005 0.000 1.412 229 Q CA 0.192 55.991 55.803 -0.005 0.000 0.991 229 Q CB 0.326 29.060 28.738 -0.007 0.000 1.688 229 Q HN 0.141 nan 8.270 nan 0.000 0.554 230 K N 1.955 122.353 120.400 -0.004 0.000 2.333 230 K HA 0.112 4.432 4.320 -0.000 0.000 0.241 230 K C 0.271 176.870 176.600 -0.002 0.000 1.193 230 K CA -0.190 56.095 56.287 -0.003 0.000 1.142 230 K CB 0.369 32.867 32.500 -0.002 0.000 1.731 230 K HN 0.238 nan 8.250 nan 0.000 0.344 231 K N 1.041 121.439 120.400 -0.003 0.000 2.910 231 K HA -0.056 4.264 4.320 -0.000 0.000 0.339 231 K C 0.819 177.417 176.600 -0.003 0.000 1.031 231 K CA 0.590 56.874 56.287 -0.004 0.000 1.014 231 K CB 0.108 32.604 32.500 -0.006 0.000 0.869 231 K HN 0.387 nan 8.250 nan 0.000 0.531 232 R N 1.156 121.653 120.500 -0.005 0.000 2.788 232 R HA 0.186 4.526 4.340 -0.000 0.000 0.264 232 R C 0.201 176.496 176.300 -0.008 0.000 1.267 232 R CA -0.023 56.073 56.100 -0.007 0.000 1.213 232 R CB -0.810 29.485 30.300 -0.008 0.000 1.256 232 R HN 0.499 nan 8.270 nan 0.000 0.556 233 I N -0.048 120.518 120.570 -0.006 0.000 6.170 233 I HA -0.245 3.925 4.170 -0.000 0.000 0.126 233 I C -1.546 174.563 176.117 -0.012 0.000 1.661 233 I CA -0.198 61.099 61.300 -0.006 0.000 2.441 233 I CB -1.131 36.867 38.000 -0.003 0.000 3.131 233 I HN 0.076 nan 8.210 nan 0.000 0.276 234 P HA -0.217 nan 4.420 nan 0.000 0.200 234 P C 0.098 177.385 177.300 -0.022 0.000 1.160 234 P CA 1.576 64.667 63.100 -0.015 0.000 0.840 234 P CB -0.190 31.503 31.700 -0.012 0.000 1.162 235 E N -0.511 119.673 120.200 -0.027 0.000 2.109 235 E HA 0.057 4.407 4.350 -0.000 0.000 0.278 235 E C 0.446 177.014 176.600 -0.052 0.000 0.954 235 E CA -0.568 55.807 56.400 -0.042 0.000 0.779 235 E CB 0.889 30.564 29.700 -0.041 0.000 1.093 235 E HN 0.159 nan 8.360 nan 0.000 0.401 236 D N 2.445 122.809 120.400 -0.060 0.000 2.162 236 D HA 0.190 4.830 4.640 -0.000 0.000 0.252 236 D C 0.314 176.558 176.300 -0.093 0.000 1.095 236 D CA 0.459 54.424 54.000 -0.059 0.000 0.928 236 D CB -0.026 40.747 40.800 -0.044 0.000 0.989 236 D HN 0.540 nan 8.370 nan 0.000 0.401 237 A N 0.106 122.851 122.820 -0.125 0.000 2.435 237 A HA 0.148 4.468 4.320 -0.000 0.000 0.686 237 A C 0.152 177.694 177.584 -0.071 0.000 0.138 237 A CA -0.008 51.906 52.037 -0.206 0.000 0.024 237 A CB -1.364 17.492 19.000 -0.240 0.000 3.974 237 A HN 0.495 nan 8.150 nan 0.000 0.548 238 S N 1.633 117.326 115.700 -0.011 0.000 2.592 238 S HA 0.555 5.025 4.470 -0.000 0.000 0.271 238 S C 1.250 175.903 174.600 0.089 0.000 1.326 238 S CA 0.521 58.758 58.200 0.061 0.000 1.024 238 S CB 1.413 64.675 63.200 0.104 0.000 0.921 238 S HN 1.678 nan 8.310 nan 0.000 0.527 239 T N 1.329 115.927 114.554 0.074 0.000 2.699 239 T HA -0.052 4.298 4.350 -0.000 0.000 0.268 239 T C 1.055 175.809 174.700 0.090 0.000 1.036 239 T CA 1.297 63.442 62.100 0.075 0.000 1.147 239 T CB -0.605 68.309 68.868 0.078 0.000 0.862 239 T HN 0.559 nan 8.240 nan 0.000 0.446 240 L N 1.042 122.320 121.223 0.092 0.000 2.855 240 L HA 0.126 4.466 4.340 -0.000 0.000 0.245 240 L C 1.300 178.223 176.870 0.090 0.000 1.276 240 L CA -0.035 54.851 54.840 0.076 0.000 1.118 240 L CB -0.261 41.830 42.059 0.053 0.000 1.444 240 L HN 0.384 nan 8.230 nan 0.000 0.440 241 H N 0.503 119.582 119.070 0.016 0.000 4.819 241 H HA 0.028 4.584 4.556 -0.000 0.000 0.100 241 H C 1.682 177.015 175.328 0.008 0.000 1.259 241 H CA 0.479 56.535 56.048 0.012 0.000 0.709 241 H CB 0.137 29.906 29.762 0.012 0.000 1.480 241 H HN 0.194 nan 8.280 nan 0.000 0.183 242 R N 1.569 122.266 120.500 0.327 0.000 2.460 242 R HA -0.156 4.184 4.340 -0.000 0.000 0.270 242 R C 0.389 176.735 176.300 0.076 0.000 1.218 242 R CA 1.840 58.035 56.100 0.159 0.000 1.072 242 R CB -0.965 29.377 30.300 0.070 0.000 0.854 242 R HN 0.213 nan 8.270 nan 0.000 0.513 243 L N -1.052 120.210 121.223 0.065 0.000 2.783 243 L HA 0.584 4.924 4.340 -0.000 0.000 0.205 243 L C 0.439 177.328 176.870 0.033 0.000 1.985 243 L CA -1.304 53.560 54.840 0.040 0.000 2.546 243 L CB -0.048 42.040 42.059 0.048 0.000 2.829 243 L HN 0.182 nan 8.230 nan 0.000 0.614 257 A N -0.133 122.018 122.820 -1.115 0.000 2.498 257 A HA 0.414 4.734 4.320 -0.000 0.000 0.239 257 A C 1.419 179.041 177.584 0.063 0.000 1.068 257 A CA 1.261 53.090 52.037 -0.347 0.000 0.766 257 A CB -0.798 18.063 19.000 -0.232 0.000 1.003 257 A HN 1.630 nan 8.150 nan 0.000 0.497 258 G N 0.688 109.505 108.800 0.029 0.000 2.176 258 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.253 258 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.253 258 G C 0.159 175.091 174.900 0.054 0.000 0.979 258 G CA 0.505 45.644 45.100 0.066 0.000 0.641 258 G HN 1.420 nan 8.290 nan 0.000 0.530 259 N N -0.166 118.549 118.700 0.025 0.000 2.898 259 N HA 0.108 4.848 4.740 -0.000 0.000 0.203 259 N C -2.907 172.571 175.510 -0.053 0.000 1.276 259 N CA -0.453 52.603 53.050 0.009 0.000 1.743 259 N CB 0.741 39.243 38.487 0.024 0.000 1.505 259 N HN 0.147 nan 8.380 nan 0.000 0.636 260 P HA -0.028 nan 4.420 nan 0.000 0.269 260 P C 0.108 177.325 177.300 -0.137 0.000 1.200 260 P CA 0.286 63.332 63.100 -0.090 0.000 0.779 260 P CB 0.816 32.498 31.700 -0.030 0.000 0.841 261 L N 1.727 122.867 121.223 -0.139 0.000 2.464 261 L HA 0.124 4.464 4.340 -0.000 0.000 0.264 261 L C 0.829 177.650 176.870 -0.081 0.000 1.199 261 L CA 0.193 54.925 54.840 -0.181 0.000 0.818 261 L CB -0.153 41.841 42.059 -0.109 0.000 1.102 261 L HN 0.441 nan 8.230 nan 0.000 0.473 262 H N 3.046 122.129 119.070 0.022 0.000 2.724 262 H HA 0.534 5.090 4.556 -0.000 0.000 0.278 262 H C -0.909 174.440 175.328 0.036 0.000 1.159 262 H CA -0.736 55.338 56.048 0.043 0.000 1.254 262 H CB 0.331 30.113 29.762 0.034 0.000 1.412 262 H HN 0.289 nan 8.280 nan 0.000 0.488 263 L N -0.549 120.775 121.223 0.168 0.000 3.002 263 L HA 0.296 4.636 4.340 -0.000 0.000 0.267 263 L C -0.712 176.213 176.870 0.092 0.000 0.997 263 L CA -0.812 54.086 54.840 0.096 0.000 0.961 263 L CB 1.205 43.280 42.059 0.026 0.000 1.502 263 L HN 0.197 nan 8.230 nan 0.000 0.408 264 D N -0.072 120.368 120.400 0.068 0.000 2.455 264 D HA 0.258 4.898 4.640 -0.000 0.000 0.228 264 D C 0.011 176.296 176.300 -0.026 0.000 1.070 264 D CA 1.299 55.336 54.000 0.061 0.000 0.881 264 D CB 2.177 43.041 40.800 0.107 0.000 1.087 264 D HN 0.453 nan 8.370 nan 0.000 0.498 265 V N 1.228 121.124 119.914 -0.029 0.000 2.711 265 V HA 0.507 4.627 4.120 -0.000 0.000 0.304 265 V C -2.035 174.022 176.094 -0.062 0.000 1.097 265 V CA -0.953 61.315 62.300 -0.054 0.000 0.906 265 V CB 2.281 34.082 31.823 -0.036 0.000 1.015 265 V HN -0.072 nan 8.190 nan 0.000 0.427 266 L N 7.157 128.322 121.223 -0.097 0.000 2.313 266 L HA 0.812 5.152 4.340 -0.000 0.000 0.283 266 L C -0.843 175.941 176.870 -0.143 0.000 1.013 266 L CA -0.107 54.668 54.840 -0.108 0.000 0.816 266 L CB 1.923 43.906 42.059 -0.126 0.000 1.236 266 L HN 0.583 nan 8.230 nan 0.000 0.419 267 V N 6.370 126.222 119.914 -0.104 0.000 2.293 267 V HA 0.357 4.477 4.120 -0.000 0.000 0.275 267 V C -0.364 175.682 176.094 -0.079 0.000 1.021 267 V CA -0.591 61.650 62.300 -0.097 0.000 0.815 267 V CB 1.493 33.289 31.823 -0.045 0.000 1.025 267 V HN 0.558 nan 8.190 nan 0.000 0.448 268 V N 4.053 123.899 119.914 -0.115 0.000 2.348 268 V HA 0.357 4.477 4.120 -0.000 0.000 0.270 268 V C 0.097 176.251 176.094 0.101 0.000 1.037 268 V CA -0.432 61.875 62.300 0.012 0.000 0.872 268 V CB 1.357 33.232 31.823 0.086 0.000 1.002 268 V HN 0.760 nan 8.190 nan 0.000 0.464 269 D N 3.397 123.841 120.400 0.074 0.000 2.294 269 D HA 0.255 4.895 4.640 -0.000 0.000 0.250 269 D C 0.690 177.037 176.300 0.078 0.000 1.058 269 D CA -0.141 53.902 54.000 0.072 0.000 0.950 269 D CB 1.158 41.980 40.800 0.038 0.000 1.158 269 D HN 0.603 nan 8.370 nan 0.000 0.453 270 E N 0.643 120.881 120.200 0.064 0.000 2.791 270 E HA -0.240 4.110 4.350 -0.000 0.000 0.271 270 E C 0.862 177.503 176.600 0.067 0.000 1.044 270 E CA 0.757 57.186 56.400 0.049 0.000 0.814 270 E CB -1.690 28.029 29.700 0.031 0.000 1.400 270 E HN 0.536 nan 8.360 nan 0.000 0.423 271 A N 0.391 123.275 122.820 0.107 0.000 2.093 271 A HA -0.256 4.064 4.320 -0.000 0.000 0.222 271 A C 2.200 179.808 177.584 0.041 0.000 1.162 271 A CA 2.111 54.222 52.037 0.124 0.000 0.655 271 A CB -0.619 18.497 19.000 0.193 0.000 0.805 271 A HN 0.566 nan 8.150 nan 0.000 0.461 272 S N -0.937 114.777 115.700 0.022 0.000 2.500 272 S HA -0.063 4.407 4.470 -0.000 0.000 0.239 272 S C 1.522 176.117 174.600 -0.009 0.000 0.989 272 S CA 1.472 59.669 58.200 -0.005 0.000 0.951 272 S CB -0.483 62.715 63.200 -0.004 0.000 0.759 272 S HN 0.599 nan 8.310 nan 0.000 0.523 273 M N 0.901 120.505 119.600 0.006 0.000 2.441 273 M HA 0.311 4.791 4.480 -0.000 0.000 0.244 273 M C -0.319 175.992 176.300 0.018 0.000 1.122 273 M CA -0.004 55.297 55.300 0.002 0.000 1.041 273 M CB 0.127 32.729 32.600 0.003 0.000 1.438 273 M HN 0.196 nan 8.290 nan 0.000 0.484 274 I N 3.139 123.726 120.570 0.028 0.000 2.598 274 I HA -0.026 4.144 4.170 -0.000 0.000 0.284 274 I C 0.246 176.374 176.117 0.018 0.000 1.140 274 I CA 0.463 61.786 61.300 0.038 0.000 1.420 274 I CB -0.429 37.598 38.000 0.046 0.000 1.387 274 I HN 0.317 nan 8.210 nan 0.000 0.553 275 D N 5.966 126.381 120.400 0.026 0.000 2.326 275 D HA 0.187 4.827 4.640 -0.000 0.000 0.248 275 D C 1.095 177.411 176.300 0.027 0.000 1.001 275 D CA -0.810 53.203 54.000 0.022 0.000 0.961 275 D CB 2.381 43.195 40.800 0.023 0.000 1.183 275 D HN 0.372 nan 8.370 nan 0.000 0.502 276 L N 0.337 121.577 121.223 0.028 0.000 2.030 276 L HA -0.214 4.126 4.340 -0.000 0.000 0.222 276 L C -0.740 176.148 176.870 0.030 0.000 1.082 276 L CA 2.256 57.115 54.840 0.033 0.000 0.785 276 L CB -1.154 40.930 42.059 0.043 0.000 0.895 276 L HN 0.408 nan 8.230 nan 0.000 0.439 277 P HA -0.198 nan 4.420 nan 0.000 0.214 277 P C 1.766 179.083 177.300 0.028 0.000 1.162 277 P CA 1.219 64.334 63.100 0.025 0.000 0.879 277 P CB -0.064 31.649 31.700 0.022 0.000 0.786 278 M N -1.599 118.022 119.600 0.034 0.000 2.144 278 M HA -0.158 4.322 4.480 -0.000 0.000 0.260 278 M C 1.919 178.250 176.300 0.051 0.000 1.067 278 M CA 1.895 57.221 55.300 0.044 0.000 1.095 278 M CB -1.410 31.221 32.600 0.051 0.000 1.365 278 M HN -0.057 nan 8.290 nan 0.000 0.406 279 M N -0.105 119.524 119.600 0.049 0.000 2.065 279 M HA -0.157 4.323 4.480 -0.000 0.000 0.259 279 M C 2.287 178.588 176.300 0.002 0.000 1.071 279 M CA 2.280 57.614 55.300 0.055 0.000 1.109 279 M CB -1.480 31.157 32.600 0.061 0.000 1.313 279 M HN 0.443 nan 8.290 nan 0.000 0.408 280 S N -0.680 115.013 115.700 -0.011 0.000 2.474 280 S HA -0.086 4.384 4.470 -0.000 0.000 0.235 280 S C 1.892 176.474 174.600 -0.030 0.000 0.997 280 S CA 0.782 58.952 58.200 -0.049 0.000 0.949 280 S CB -0.461 62.722 63.200 -0.028 0.000 0.766 280 S HN 0.474 nan 8.310 nan 0.000 0.517 281 R N 0.341 120.847 120.500 0.010 0.000 2.100 281 R HA 0.305 4.645 4.340 -0.000 0.000 0.220 281 R C 2.370 178.680 176.300 0.016 0.000 1.091 281 R CA 0.773 56.906 56.100 0.055 0.000 0.986 281 R CB -0.414 29.926 30.300 0.066 0.000 0.888 281 R HN 0.359 nan 8.270 nan 0.000 0.444 282 L N 0.952 122.171 121.223 -0.005 0.000 2.056 282 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 282 L C 2.202 179.000 176.870 -0.120 0.000 1.078 282 L CA 1.262 56.090 54.840 -0.020 0.000 0.749 282 L CB -0.172 41.923 42.059 0.059 0.000 0.901 282 L HN 0.227 nan 8.230 nan 0.000 0.433 283 I N 0.416 120.859 120.570 -0.212 0.000 2.113 283 I HA -0.403 3.767 4.170 -0.000 0.000 0.242 283 I C 1.951 177.850 176.117 -0.363 0.000 1.064 283 I CA 2.216 63.233 61.300 -0.472 0.000 1.320 283 I CB -0.555 37.085 38.000 -0.600 0.000 1.028 283 I HN 0.384 nan 8.210 nan 0.000 0.406 284 D N 0.708 120.939 120.400 -0.282 0.000 2.178 284 D HA -0.114 4.526 4.640 -0.000 0.000 0.201 284 D C 2.046 178.048 176.300 -0.495 0.000 0.980 284 D CA 1.261 55.038 54.000 -0.373 0.000 0.842 284 D CB -0.030 40.564 40.800 -0.343 0.000 0.948 284 D HN 0.356 nan 8.370 nan 0.000 0.472 285 A N -0.153 122.441 122.820 -0.377 0.000 2.209 285 A HA 0.053 4.373 4.320 -0.000 0.000 0.212 285 A C 0.752 178.222 177.584 -0.189 0.000 1.158 285 A CA 0.245 52.116 52.037 -0.276 0.000 0.742 285 A CB -0.320 18.593 19.000 -0.145 0.000 0.790 285 A HN 0.176 nan 8.150 nan 0.000 0.472 286 L N 2.217 123.331 121.223 -0.182 0.000 2.281 286 L HA 0.279 4.619 4.340 -0.000 0.000 0.285 286 L C -2.136 174.665 176.870 -0.115 0.000 1.074 286 L CA -1.936 52.825 54.840 -0.132 0.000 0.817 286 L CB 1.117 43.121 42.059 -0.092 0.000 1.168 286 L HN 0.132 nan 8.230 nan 0.000 0.434 287 P HA 0.118 nan 4.420 nan 0.000 0.280 287 P C -0.362 176.883 177.300 -0.093 0.000 1.244 287 P CA -0.429 62.632 63.100 -0.066 0.000 0.784 287 P CB 1.306 33.004 31.700 -0.004 0.000 0.913 288 D N 0.526 120.929 120.400 0.005 0.000 2.218 288 D HA -0.252 4.388 4.640 -0.000 0.000 0.194 288 D C 1.565 177.875 176.300 0.016 0.000 1.007 288 D CA 1.648 55.664 54.000 0.027 0.000 0.879 288 D CB -0.518 40.318 40.800 0.059 0.000 0.918 288 D HN 0.634 nan 8.370 nan 0.000 0.449 289 H N -0.683 118.392 119.070 0.009 0.000 2.543 289 H HA 0.498 5.054 4.556 -0.000 0.000 0.269 289 H C 0.046 175.372 175.328 -0.004 0.000 1.005 289 H CA 0.242 56.290 56.048 -0.000 0.000 1.146 289 H CB -0.222 29.540 29.762 -0.001 0.000 1.353 289 H HN 0.067 nan 8.280 nan 0.000 0.595 290 A N 1.389 123.958 122.820 -0.419 0.000 2.306 290 A HA 0.613 4.933 4.320 -0.000 0.000 0.330 290 A C -0.017 177.476 177.584 -0.151 0.000 1.146 290 A CA -0.840 50.995 52.037 -0.336 0.000 0.827 290 A CB 1.231 20.004 19.000 -0.378 0.000 1.178 290 A HN 0.420 nan 8.150 nan 0.000 0.490 291 R N 0.528 120.956 120.500 -0.120 0.000 2.445 291 R HA 0.573 4.913 4.340 -0.000 0.000 0.308 291 R C -1.573 174.650 176.300 -0.128 0.000 0.961 291 R CA -0.448 55.590 56.100 -0.103 0.000 0.862 291 R CB 1.895 32.151 30.300 -0.072 0.000 1.144 291 R HN 0.493 nan 8.270 nan 0.000 0.447 292 V N 5.568 125.383 119.914 -0.165 0.000 2.448 292 V HA 0.449 4.569 4.120 -0.000 0.000 0.295 292 V C -0.305 175.604 176.094 -0.309 0.000 1.025 292 V CA -0.728 61.398 62.300 -0.289 0.000 0.859 292 V CB 1.795 33.400 31.823 -0.364 0.000 0.988 292 V HN 0.619 nan 8.190 nan 0.000 0.431 293 I N 5.237 125.628 120.570 -0.299 0.000 2.382 293 I HA 0.455 4.625 4.170 -0.000 0.000 0.285 293 I C -0.659 175.354 176.117 -0.173 0.000 1.007 293 I CA 0.038 61.249 61.300 -0.148 0.000 1.142 293 I CB 1.166 39.138 38.000 -0.048 0.000 1.289 293 I HN 0.401 nan 8.210 nan 0.000 0.453 294 F N 6.627 126.626 119.950 0.082 0.000 2.404 294 F HA 0.533 5.060 4.527 -0.000 0.000 0.345 294 F C -0.034 175.802 175.800 0.060 0.000 1.110 294 F CA -0.530 57.521 58.000 0.085 0.000 1.130 294 F CB 0.842 39.918 39.000 0.127 0.000 1.129 294 F HN 0.125 nan 8.300 nan 0.000 0.500 295 L N 2.904 124.266 121.223 0.231 0.000 2.346 295 L HA 0.917 5.257 4.340 -0.000 0.000 0.276 295 L C 0.162 177.101 176.870 0.115 0.000 1.006 295 L CA -0.514 54.408 54.840 0.137 0.000 0.817 295 L CB 1.818 43.931 42.059 0.091 0.000 1.272 295 L HN 0.812 nan 8.230 nan 0.000 0.421 296 G N 0.623 109.467 108.800 0.074 0.000 2.559 296 G HA2 0.231 4.191 3.960 -0.000 0.000 0.291 296 G HA3 0.231 4.191 3.960 -0.000 0.000 0.291 296 G C -2.224 172.688 174.900 0.020 0.000 1.424 296 G CA -0.388 44.739 45.100 0.045 0.000 0.786 296 G HN 0.404 nan 8.290 nan 0.000 0.485 297 D N 0.033 120.444 120.400 0.018 0.000 2.473 297 D HA 0.199 4.839 4.640 -0.000 0.000 0.226 297 D C 1.497 177.793 176.300 -0.006 0.000 1.089 297 D CA -0.636 53.378 54.000 0.024 0.000 0.883 297 D CB 1.330 42.178 40.800 0.079 0.000 1.029 297 D HN 0.522 nan 8.370 nan 0.000 0.517 298 R N 2.720 123.189 120.500 -0.052 0.000 2.153 298 R HA -0.220 4.120 4.340 -0.000 0.000 0.252 298 R C -0.065 176.169 176.300 -0.110 0.000 1.158 298 R CA 2.157 58.201 56.100 -0.093 0.000 0.975 298 R CB 0.165 30.389 30.300 -0.126 0.000 0.871 298 R HN 0.307 nan 8.270 nan 0.000 0.450 299 D N -0.402 119.910 120.400 -0.146 0.000 2.427 299 D HA 0.038 4.678 4.640 -0.000 0.000 0.224 299 D C -0.460 175.787 176.300 -0.088 0.000 1.157 299 D CA -0.223 53.641 54.000 -0.226 0.000 0.828 299 D CB 0.478 40.987 40.800 -0.485 0.000 0.974 299 D HN 0.081 nan 8.370 nan 0.000 0.498 300 Q N 0.865 120.709 119.800 0.073 0.000 2.288 300 Q HA 0.221 4.561 4.340 -0.000 0.000 0.254 300 Q C 0.910 176.952 176.000 0.069 0.000 0.932 300 Q CA -0.523 55.387 55.803 0.177 0.000 0.902 300 Q CB 1.324 30.130 28.738 0.112 0.000 1.203 300 Q HN 0.182 nan 8.270 nan 0.000 0.415 301 L N 4.036 125.301 121.223 0.070 0.000 2.064 301 L HA -0.259 4.081 4.340 -0.000 0.000 0.216 301 L C 1.566 178.425 176.870 -0.017 0.000 1.077 301 L CA 2.806 57.658 54.840 0.021 0.000 0.766 301 L CB -0.787 41.280 42.059 0.014 0.000 0.890 301 L HN 0.830 nan 8.230 nan 0.000 0.435 302 A N -1.918 120.876 122.820 -0.044 0.000 2.125 302 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 302 A C 2.259 179.822 177.584 -0.036 0.000 1.156 302 A CA 1.677 53.674 52.037 -0.066 0.000 0.671 302 A CB -0.658 18.294 19.000 -0.081 0.000 0.794 302 A HN 0.582 nan 8.150 nan 0.000 0.459 303 S N -0.915 114.768 115.700 -0.027 0.000 2.527 303 S HA 0.056 4.526 4.470 -0.000 0.000 0.222 303 S C 1.324 175.904 174.600 -0.035 0.000 0.985 303 S CA 1.076 59.255 58.200 -0.035 0.000 0.921 303 S CB 0.196 63.370 63.200 -0.044 0.000 0.772 303 S HN 0.506 nan 8.310 nan 0.000 0.529 304 V N 0.523 120.424 119.914 -0.022 0.000 3.612 304 V HA 0.142 4.262 4.120 -0.000 0.000 0.268 304 V C 0.750 176.853 176.094 0.015 0.000 1.365 304 V CA -0.365 61.927 62.300 -0.012 0.000 1.044 304 V CB -0.603 31.209 31.823 -0.018 0.000 0.820 304 V HN 0.447 nan 8.190 nan 0.000 0.444 305 E N 2.257 122.467 120.200 0.017 0.000 2.435 305 E HA 0.402 4.752 4.350 -0.000 0.000 0.256 305 E C 0.497 177.118 176.600 0.034 0.000 1.245 305 E CA 0.012 56.434 56.400 0.037 0.000 0.989 305 E CB 0.354 30.083 29.700 0.048 0.000 0.983 305 E HN 0.347 nan 8.360 nan 0.000 0.480 306 A N 0.620 123.437 122.820 -0.006 0.000 2.566 306 A HA 0.330 4.650 4.320 -0.000 0.000 0.245 306 A C 1.351 178.926 177.584 -0.015 0.000 1.056 306 A CA 0.552 52.550 52.037 -0.065 0.000 0.757 306 A CB -1.212 17.479 19.000 -0.515 0.000 0.979 306 A HN 1.200 nan 8.150 nan 0.000 0.508 307 G N 0.882 109.711 108.800 0.049 0.000 2.179 307 G HA2 0.121 4.081 3.960 -0.000 0.000 0.260 307 G HA3 0.121 4.081 3.960 -0.000 0.000 0.260 307 G C 0.615 175.532 174.900 0.028 0.000 0.977 307 G CA 0.662 45.784 45.100 0.037 0.000 0.641 307 G HN 2.189 nan 8.290 nan 0.000 0.533 308 A N -0.707 122.125 122.820 0.021 0.000 2.287 308 A HA 0.850 5.170 4.320 -0.000 0.000 0.273 308 A C 1.557 179.139 177.584 -0.004 0.000 1.091 308 A CA 0.802 52.841 52.037 0.003 0.000 0.817 308 A CB 1.148 20.143 19.000 -0.007 0.000 1.069 308 A HN 1.506 nan 8.150 nan 0.000 0.492 309 V N -1.872 118.026 119.914 -0.026 0.000 3.368 309 V HA 0.116 4.236 4.120 -0.000 0.000 0.255 309 V C 1.725 177.765 176.094 -0.091 0.000 1.466 309 V CA 0.685 62.960 62.300 -0.042 0.000 1.095 309 V CB -1.088 30.717 31.823 -0.030 0.000 0.899 309 V HN 0.652 nan 8.190 nan 0.000 0.440 310 L N 3.039 124.199 121.223 -0.105 0.000 2.043 310 L HA 0.068 4.408 4.340 -0.000 0.000 0.212 310 L C 2.408 179.198 176.870 -0.134 0.000 1.075 310 L CA 2.704 57.462 54.840 -0.137 0.000 0.752 310 L CB -1.077 40.922 42.059 -0.100 0.000 0.891 310 L HN 0.384 nan 8.230 nan 0.000 0.432 311 G N -1.257 107.481 108.800 -0.104 0.000 2.446 311 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.217 311 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.217 311 G C 1.156 175.969 174.900 -0.145 0.000 1.168 311 G CA 1.117 46.148 45.100 -0.114 0.000 0.771 311 G HN 0.470 nan 8.290 nan 0.000 0.551 312 D N 0.328 120.656 120.400 -0.120 0.000 2.097 312 D HA -0.042 4.598 4.640 -0.000 0.000 0.197 312 D C 2.405 178.609 176.300 -0.160 0.000 0.984 312 D CA 0.464 54.392 54.000 -0.119 0.000 0.826 312 D CB -0.142 40.641 40.800 -0.029 0.000 0.973 312 D HN 0.332 nan 8.370 nan 0.000 0.460 313 I N 0.298 120.765 120.570 -0.171 0.000 2.163 313 I HA -0.269 3.901 4.170 -0.000 0.000 0.243 313 I C 1.670 177.584 176.117 -0.339 0.000 1.085 313 I CA 0.998 62.106 61.300 -0.321 0.000 1.347 313 I CB -0.076 37.624 38.000 -0.500 0.000 1.044 313 I HN 0.130 nan 8.210 nan 0.000 0.408 314 C N 0.718 119.858 119.300 -0.267 0.000 2.576 314 C HA 0.275 4.735 4.460 -0.000 0.000 0.267 314 C C 2.829 177.666 174.990 -0.254 0.000 1.364 314 C CA 0.009 58.886 59.018 -0.235 0.000 1.723 314 C CB -1.876 25.753 27.740 -0.186 0.000 1.778 314 C HN 0.524 nan 8.230 nan 0.000 0.572 315 A N 0.001 122.628 122.820 -0.321 0.000 1.902 315 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 315 A C 1.602 178.947 177.584 -0.397 0.000 1.181 315 A CA 1.295 53.105 52.037 -0.377 0.000 0.623 315 A CB -0.810 17.908 19.000 -0.470 0.000 0.818 315 A HN 0.689 nan 8.150 nan 0.000 0.443 316 Y N -0.132 120.045 120.300 -0.204 0.000 2.619 316 Y HA 0.100 4.650 4.550 -0.000 0.000 0.308 316 Y C 2.406 178.169 175.900 -0.229 0.000 1.192 316 Y CA -0.071 57.904 58.100 -0.208 0.000 1.319 316 Y CB -0.211 38.096 38.460 -0.256 0.000 1.030 316 Y HN 0.401 nan 8.280 nan 0.000 0.517 317 A N 0.598 123.330 122.820 -0.146 0.000 1.898 317 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 317 A C 2.031 179.485 177.584 -0.216 0.000 1.181 317 A CA 1.374 53.282 52.037 -0.215 0.000 0.620 317 A CB -0.449 18.412 19.000 -0.232 0.000 0.819 317 A HN 0.435 nan 8.150 nan 0.000 0.442 318 N N 0.581 119.181 118.700 -0.167 0.000 2.513 318 N HA -0.111 4.629 4.740 -0.000 0.000 0.187 318 N C 1.527 176.978 175.510 -0.098 0.000 1.056 318 N CA 1.092 54.059 53.050 -0.138 0.000 0.907 318 N CB -0.243 38.174 38.487 -0.117 0.000 0.954 318 N HN 0.527 nan 8.380 nan 0.000 0.445 319 A N 0.746 123.521 122.820 -0.076 0.000 2.167 319 A HA 0.322 4.642 4.320 -0.000 0.000 0.214 319 A C 1.254 178.783 177.584 -0.092 0.000 1.151 319 A CA 0.735 52.748 52.037 -0.041 0.000 0.735 319 A CB -0.478 18.533 19.000 0.019 0.000 0.802 319 A HN 0.335 nan 8.150 nan 0.000 0.467 320 G N -1.301 107.387 108.800 -0.187 0.000 2.953 320 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.421 320 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.421 320 G C -0.267 174.503 174.900 -0.217 0.000 1.531 320 G CA -0.130 44.824 45.100 -0.243 0.000 0.971 320 G HN 0.499 nan 8.290 nan 0.000 0.558 321 F N 0.465 120.421 119.950 0.011 0.000 2.406 321 F HA 0.525 5.052 4.527 -0.000 0.000 0.327 321 F C 1.760 177.553 175.800 -0.011 0.000 1.153 321 F CA 0.182 58.182 58.000 -0.001 0.000 1.218 321 F CB 0.558 39.562 39.000 0.007 0.000 1.215 321 F HN 0.800 nan 8.300 nan 0.000 0.570 322 T N -0.881 113.784 114.554 0.184 0.000 2.748 322 T HA 0.339 4.689 4.350 -0.000 0.000 0.304 322 T C 1.114 175.866 174.700 0.086 0.000 1.041 322 T CA -0.329 61.823 62.100 0.088 0.000 1.033 322 T CB 1.067 69.963 68.868 0.046 0.000 0.995 322 T HN 0.721 nan 8.240 nan 0.000 0.536 323 A N 0.279 123.128 122.820 0.048 0.000 1.902 323 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 323 A C 2.336 179.921 177.584 0.002 0.000 1.181 323 A CA 1.853 53.908 52.037 0.029 0.000 0.623 323 A CB -1.158 17.857 19.000 0.025 0.000 0.818 323 A HN 1.055 nan 8.150 nan 0.000 0.443 324 E N -0.700 119.498 120.200 -0.003 0.000 2.077 324 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 324 E C 2.331 178.904 176.600 -0.045 0.000 0.989 324 E CA 0.971 57.358 56.400 -0.022 0.000 0.800 324 E CB -0.128 29.558 29.700 -0.022 0.000 0.746 324 E HN 0.348 nan 8.360 nan 0.000 0.452 325 R N 0.428 120.905 120.500 -0.038 0.000 2.073 325 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 325 R C 2.213 178.394 176.300 -0.197 0.000 1.134 325 R CA 1.380 57.428 56.100 -0.087 0.000 0.952 325 R CB -0.915 29.380 30.300 -0.008 0.000 0.850 325 R HN 0.291 nan 8.270 nan 0.000 0.433 326 A N 1.010 123.741 122.820 -0.149 0.000 1.869 326 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 326 A C 2.345 179.807 177.584 -0.203 0.000 1.203 326 A CA 2.034 53.943 52.037 -0.212 0.000 0.638 326 A CB -0.602 18.347 19.000 -0.085 0.000 0.831 326 A HN 0.336 nan 8.150 nan 0.000 0.450 327 R N -0.956 119.472 120.500 -0.119 0.000 2.096 327 R HA -0.216 4.124 4.340 -0.000 0.000 0.240 327 R C 2.632 178.869 176.300 -0.106 0.000 1.139 327 R CA 1.993 58.039 56.100 -0.091 0.000 0.952 327 R CB -0.365 29.907 30.300 -0.047 0.000 0.854 327 R HN 0.819 nan 8.270 nan 0.000 0.436 328 Q N 0.531 120.264 119.800 -0.110 0.000 2.124 328 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 328 Q C 1.962 177.876 176.000 -0.145 0.000 0.977 328 Q CA 1.386 57.126 55.803 -0.105 0.000 0.850 328 Q CB 0.000 28.686 28.738 -0.088 0.000 0.901 328 Q HN 0.386 nan 8.270 nan 0.000 0.429 329 L N 0.534 121.625 121.223 -0.222 0.000 2.056 329 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 329 L C 2.671 179.401 176.870 -0.233 0.000 1.078 329 L CA 1.349 56.026 54.840 -0.271 0.000 0.749 329 L CB -0.447 41.346 42.059 -0.443 0.000 0.901 329 L HN 0.282 nan 8.230 nan 0.000 0.433 330 S N -0.609 114.957 115.700 -0.223 0.000 2.423 330 S HA -0.183 4.287 4.470 -0.000 0.000 0.231 330 S C 2.047 176.576 174.600 -0.119 0.000 1.014 330 S CA 0.725 58.817 58.200 -0.179 0.000 0.965 330 S CB -0.373 62.728 63.200 -0.165 0.000 0.785 330 S HN 0.344 nan 8.310 nan 0.000 0.495 331 R N 0.490 120.927 120.500 -0.105 0.000 2.115 331 R HA 0.231 4.571 4.340 -0.000 0.000 0.226 331 R C 2.122 178.377 176.300 -0.076 0.000 1.100 331 R CA 0.905 56.961 56.100 -0.074 0.000 0.980 331 R CB -0.280 29.983 30.300 -0.062 0.000 0.875 331 R HN 0.419 nan 8.270 nan 0.000 0.445 332 L N -0.222 120.943 121.223 -0.098 0.000 2.095 332 L HA -0.023 4.317 4.340 -0.000 0.000 0.204 332 L C 1.276 178.085 176.870 -0.102 0.000 1.080 332 L CA 0.900 55.684 54.840 -0.092 0.000 0.759 332 L CB -0.247 41.750 42.059 -0.104 0.000 0.914 332 L HN 0.254 nan 8.230 nan 0.000 0.439 333 T N -2.990 111.482 114.554 -0.137 0.000 2.897 333 T HA 0.446 4.796 4.350 -0.000 0.000 0.278 333 T C 0.557 175.190 174.700 -0.111 0.000 0.981 333 T CA -0.285 61.727 62.100 -0.146 0.000 0.973 333 T CB 1.527 70.265 68.868 -0.217 0.000 1.092 333 T HN 0.112 nan 8.240 nan 0.000 0.543 334 G N 1.328 110.073 108.800 -0.092 0.000 4.198 334 G HA2 0.508 4.468 3.960 -0.000 0.000 0.282 334 G HA3 0.508 4.468 3.960 -0.000 0.000 0.282 334 G C -0.133 174.725 174.900 -0.071 0.000 1.262 334 G CA -0.475 44.587 45.100 -0.065 0.000 1.473 334 G HN 1.127 nan 8.290 nan 0.000 0.624 335 T N -2.702 111.795 114.554 -0.096 0.000 2.942 335 T HA 0.324 4.674 4.350 -0.000 0.000 0.327 335 T C -0.950 173.700 174.700 -0.082 0.000 1.360 335 T CA -0.896 61.150 62.100 -0.091 0.000 1.055 335 T CB 1.820 70.594 68.868 -0.157 0.000 1.261 335 T HN 0.283 nan 8.240 nan 0.000 0.485 336 H N 1.843 120.847 119.070 -0.110 0.000 2.722 336 H HA 0.502 5.058 4.556 -0.000 0.000 0.328 336 H C -1.230 174.030 175.328 -0.112 0.000 1.067 336 H CA -0.052 55.942 56.048 -0.091 0.000 1.447 336 H CB 0.757 30.487 29.762 -0.054 0.000 1.469 336 H HN 0.501 nan 8.280 nan 0.000 0.544 337 V N 8.954 128.492 119.914 -0.627 0.000 2.409 337 V HA 0.227 4.347 4.120 -0.000 0.000 0.291 337 V C -1.814 173.985 176.094 -0.492 0.000 1.020 337 V CA -1.522 60.503 62.300 -0.458 0.000 0.848 337 V CB 1.461 33.069 31.823 -0.358 0.000 0.990 337 V HN 0.796 nan 8.190 nan 0.000 0.430 338 P HA 0.297 nan 4.420 nan 0.000 0.272 338 P C -0.131 177.236 177.300 0.111 0.000 1.248 338 P CA 0.289 63.389 63.100 -0.001 0.000 0.799 338 P CB 1.506 33.301 31.700 0.159 0.000 0.997 339 A N -0.280 122.610 122.820 0.117 0.000 1.893 339 A HA 0.673 4.993 4.320 -0.000 0.000 0.175 339 A C 0.551 178.191 177.584 0.093 0.000 1.480 339 A CA 0.605 52.724 52.037 0.136 0.000 2.061 339 A CB -0.288 18.770 19.000 0.096 0.000 2.260 339 A HN 0.883 nan 8.150 nan 0.000 1.021 340 G N -0.627 108.215 108.800 0.070 0.000 2.750 340 G HA2 0.399 4.359 3.960 -0.000 0.000 0.686 340 G HA3 0.399 4.359 3.960 -0.000 0.000 0.686 340 G C 0.734 175.652 174.900 0.030 0.000 1.395 340 G CA 0.834 45.963 45.100 0.047 0.000 0.918 340 G HN 2.978 nan 8.290 nan 0.000 0.594 341 T N -1.905 112.661 114.554 0.020 0.000 3.875 341 T HA 0.303 4.653 4.350 -0.000 0.000 0.381 341 T C 2.248 176.949 174.700 0.001 0.000 0.760 341 T CA 0.976 63.081 62.100 0.009 0.000 2.040 341 T CB -1.898 66.973 68.868 0.005 0.000 1.778 341 T HN 3.201 nan 8.240 nan 0.000 0.822 342 G N 1.925 110.727 108.800 0.004 0.000 2.564 342 G HA2 0.015 3.975 3.960 -0.000 0.000 0.309 342 G HA3 0.015 3.975 3.960 -0.000 0.000 0.309 342 G C 0.495 175.389 174.900 -0.011 0.000 1.320 342 G CA 1.194 46.292 45.100 -0.003 0.000 0.941 342 G HN 2.591 nan 8.290 nan 0.000 0.543 343 T N -2.665 111.876 114.554 -0.021 0.000 3.487 343 T HA 0.519 4.869 4.350 -0.000 0.000 0.287 343 T C 0.122 174.786 174.700 -0.061 0.000 1.004 343 T CA 0.829 62.909 62.100 -0.034 0.000 0.977 343 T CB 0.506 69.362 68.868 -0.021 0.000 1.180 343 T HN 0.781 nan 8.240 nan 0.000 0.490 344 E N 1.559 121.710 120.200 -0.082 0.000 2.344 344 E HA 0.443 4.793 4.350 -0.000 0.000 0.270 344 E C 0.795 177.262 176.600 -0.221 0.000 1.021 344 E CA 0.400 56.726 56.400 -0.122 0.000 0.887 344 E CB 0.287 29.917 29.700 -0.116 0.000 0.997 344 E HN 0.705 nan 8.360 nan 0.000 0.429 345 A N 3.298 125.987 122.820 -0.218 0.000 2.846 345 A HA -0.268 4.052 4.320 -0.000 0.000 0.287 345 A C 1.287 178.744 177.584 -0.211 0.000 1.469 345 A CA 0.999 52.863 52.037 -0.289 0.000 0.757 345 A CB -2.179 16.402 19.000 -0.698 0.000 1.033 345 A HN 0.859 nan 8.150 nan 0.000 0.516 346 A N 0.341 123.093 122.820 -0.113 0.000 1.908 346 A HA -0.006 4.314 4.320 -0.000 0.000 0.218 346 A C 2.525 180.088 177.584 -0.037 0.000 1.181 346 A CA 2.466 54.466 52.037 -0.061 0.000 0.627 346 A CB -1.125 17.857 19.000 -0.030 0.000 0.818 346 A HN 2.036 nan 8.150 nan 0.000 0.445 347 S N -0.151 115.533 115.700 -0.027 0.000 2.383 347 S HA -0.131 4.339 4.470 -0.000 0.000 0.229 347 S C 1.893 176.492 174.600 -0.002 0.000 1.030 347 S CA 1.417 59.619 58.200 0.003 0.000 1.002 347 S CB -0.573 62.644 63.200 0.027 0.000 0.829 347 S HN 0.484 nan 8.310 nan 0.000 0.467 348 L N 1.084 122.263 121.223 -0.074 0.000 2.034 348 L HA 0.033 4.373 4.340 -0.000 0.000 0.203 348 L C 2.851 179.665 176.870 -0.094 0.000 1.074 348 L CA 1.047 55.811 54.840 -0.127 0.000 0.748 348 L CB -0.229 41.603 42.059 -0.377 0.000 0.905 348 L HN 0.211 nan 8.230 nan 0.000 0.439 349 R N 0.053 120.483 120.500 -0.115 0.000 2.133 349 R HA -0.208 4.132 4.340 -0.000 0.000 0.247 349 R C 1.369 177.667 176.300 -0.003 0.000 1.151 349 R CA 1.804 57.845 56.100 -0.098 0.000 0.971 349 R CB -0.496 29.743 30.300 -0.101 0.000 0.866 349 R HN 0.357 nan 8.270 nan 0.000 0.447 350 D N -0.469 119.987 120.400 0.094 0.000 2.352 350 D HA -0.017 4.623 4.640 -0.000 0.000 0.232 350 D C 0.388 176.824 176.300 0.228 0.000 1.055 350 D CA 0.800 54.946 54.000 0.243 0.000 0.891 350 D CB 0.307 41.191 40.800 0.139 0.000 0.897 350 D HN 0.294 nan 8.370 nan 0.000 0.529 351 S N -1.171 114.621 115.700 0.153 0.000 3.021 351 S HA 0.299 4.769 4.470 -0.000 0.000 0.252 351 S C 0.130 174.804 174.600 0.124 0.000 0.996 351 S CA -0.577 57.708 58.200 0.142 0.000 1.084 351 S CB 0.164 63.426 63.200 0.104 0.000 1.021 351 S HN -0.046 nan 8.310 nan 0.000 0.566 352 L N 0.778 122.054 121.223 0.089 0.000 2.286 352 L HA 0.834 5.174 4.340 -0.000 0.000 0.265 352 L C -0.617 176.274 176.870 0.035 0.000 1.012 352 L CA -0.954 53.892 54.840 0.010 0.000 0.818 352 L CB 2.165 44.159 42.059 -0.109 0.000 1.337 352 L HN 0.404 nan 8.230 nan 0.000 0.438 353 C N 2.355 121.651 119.300 -0.008 0.000 3.181 353 C HA 0.379 4.839 4.460 -0.000 0.000 0.414 353 C C -1.485 173.484 174.990 -0.035 0.000 1.016 353 C CA -0.933 58.103 59.018 0.031 0.000 1.287 353 C CB -0.407 27.474 27.740 0.236 0.000 1.665 353 C HN 0.547 nan 8.230 nan 0.000 0.549 354 L N 5.301 126.425 121.223 -0.165 0.000 2.325 354 L HA 0.803 5.143 4.340 -0.000 0.000 0.279 354 L C 0.159 176.896 176.870 -0.222 0.000 1.054 354 L CA -0.442 54.294 54.840 -0.174 0.000 0.804 354 L CB 0.323 42.251 42.059 -0.219 0.000 1.200 354 L HN 0.521 nan 8.230 nan 0.000 0.436 355 L N 1.529 122.684 121.223 -0.113 0.000 2.431 355 L HA 0.624 4.964 4.340 -0.000 0.000 0.260 355 L C -0.091 176.702 176.870 -0.129 0.000 1.098 355 L CA -0.542 54.258 54.840 -0.066 0.000 0.800 355 L CB 1.095 43.182 42.059 0.047 0.000 1.210 355 L HN 0.612 nan 8.230 nan 0.000 0.465 356 Q N 0.227 119.988 119.800 -0.064 0.000 2.423 356 Q HA 0.356 4.696 4.340 -0.000 0.000 0.278 356 Q C -1.017 175.019 176.000 0.060 0.000 1.097 356 Q CA -0.913 54.865 55.803 -0.042 0.000 0.809 356 Q CB 2.168 30.858 28.738 -0.080 0.000 1.391 356 Q HN 0.191 nan 8.270 nan 0.000 0.428 357 K N 0.198 120.626 120.400 0.047 0.000 2.397 357 K HA 0.215 4.535 4.320 -0.000 0.000 0.265 357 K C -0.537 176.129 176.600 0.110 0.000 0.982 357 K CA 0.467 56.793 56.287 0.065 0.000 0.931 357 K CB 0.310 32.837 32.500 0.044 0.000 0.943 357 K HN 0.717 nan 8.250 nan 0.000 0.501 358 S N 1.296 117.065 115.700 0.115 0.000 2.623 358 S HA 0.315 4.785 4.470 -0.000 0.000 0.287 358 S C -0.824 173.894 174.600 0.198 0.000 1.123 358 S CA -0.662 57.634 58.200 0.159 0.000 1.016 358 S CB 0.015 63.301 63.200 0.144 0.000 1.233 358 S HN 0.525 nan 8.310 nan 0.000 0.512 359 Y N 1.937 122.275 120.300 0.062 0.000 2.313 359 Y HA 0.674 5.224 4.550 -0.000 0.000 0.332 359 Y C 0.093 176.020 175.900 0.045 0.000 1.071 359 Y CA -0.850 57.284 58.100 0.055 0.000 1.169 359 Y CB 0.340 38.838 38.460 0.063 0.000 1.192 359 Y HN 0.515 nan 8.280 nan 0.000 0.487 360 R N 4.621 124.939 120.500 -0.304 0.000 2.747 360 R HA 0.277 4.617 4.340 -0.000 0.000 0.272 360 R C -1.444 174.765 176.300 -0.152 0.000 1.032 360 R CA -0.815 55.033 56.100 -0.421 0.000 0.896 360 R CB 0.993 31.154 30.300 -0.231 0.000 1.253 360 R HN 0.652 nan 8.270 nan 0.000 0.461 361 F N -0.679 119.186 119.950 -0.142 0.000 2.411 361 F HA 0.680 5.207 4.527 -0.000 0.000 0.324 361 F C 0.990 176.806 175.800 0.027 0.000 1.086 361 F CA 0.419 58.423 58.000 0.008 0.000 1.028 361 F CB 0.381 39.379 39.000 -0.003 0.000 1.284 361 F HN 0.807 nan 8.300 nan 0.000 0.501 362 G N 1.478 110.546 108.800 0.447 0.000 2.609 362 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.288 362 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.288 362 G C -0.217 174.745 174.900 0.104 0.000 1.211 362 G CA 0.177 45.417 45.100 0.234 0.000 0.963 362 G HN 1.254 nan 8.290 nan 0.000 0.541 363 S N -1.230 114.469 115.700 -0.002 0.000 2.790 363 S HA 0.649 5.119 4.470 -0.000 0.000 0.292 363 S C -0.197 174.372 174.600 -0.053 0.000 1.197 363 S CA 0.496 58.703 58.200 0.011 0.000 0.851 363 S CB 2.054 65.292 63.200 0.062 0.000 1.217 363 S HN 0.916 nan 8.310 nan 0.000 0.526 364 D N -0.054 120.311 120.400 -0.059 0.000 2.460 364 D HA 0.276 4.916 4.640 -0.000 0.000 0.263 364 D C 0.120 176.333 176.300 -0.145 0.000 1.209 364 D CA 0.138 54.086 54.000 -0.086 0.000 0.818 364 D CB 0.297 41.065 40.800 -0.055 0.000 1.239 364 D HN 0.349 nan 8.370 nan 0.000 0.530 365 S N -0.259 115.336 115.700 -0.174 0.000 2.665 365 S HA 0.316 4.786 4.470 -0.000 0.000 0.264 365 S C 1.386 175.628 174.600 -0.597 0.000 1.408 365 S CA 1.231 59.180 58.200 -0.417 0.000 1.011 365 S CB -0.177 62.775 63.200 -0.414 0.000 0.827 365 S HN 0.691 nan 8.310 nan 0.000 0.505 366 G N 0.642 108.792 108.800 -1.084 0.000 2.652 366 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.278 366 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.278 366 G C 0.729 175.383 174.900 -0.410 0.000 1.263 366 G CA 0.261 44.911 45.100 -0.750 0.000 0.966 366 G HN 0.638 nan 8.290 nan 0.000 0.544 367 I N 2.825 123.231 120.570 -0.273 0.000 2.286 367 I HA 0.004 4.174 4.170 -0.000 0.000 0.248 367 I C 3.040 179.052 176.117 -0.175 0.000 1.115 367 I CA 1.747 62.930 61.300 -0.194 0.000 1.392 367 I CB -0.768 37.133 38.000 -0.165 0.000 1.065 367 I HN 0.619 nan 8.210 nan 0.000 0.418 368 G N 0.171 108.857 108.800 -0.191 0.000 2.701 368 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.215 368 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.215 368 G C 1.481 176.315 174.900 -0.110 0.000 1.297 368 G CA 0.883 45.901 45.100 -0.138 0.000 0.807 368 G HN 0.260 nan 8.290 nan 0.000 0.608 369 Q N -0.566 119.150 119.800 -0.140 0.000 2.112 369 Q HA -0.106 4.234 4.340 -0.000 0.000 0.206 369 Q C 2.469 178.440 176.000 -0.049 0.000 0.987 369 Q CA 1.473 57.233 55.803 -0.072 0.000 0.858 369 Q CB -0.465 28.248 28.738 -0.042 0.000 0.905 369 Q HN 0.440 nan 8.270 nan 0.000 0.420 370 L N -0.048 121.128 121.223 -0.079 0.000 1.989 370 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 370 L C 1.988 178.851 176.870 -0.012 0.000 1.071 370 L CA 2.386 57.197 54.840 -0.048 0.000 0.749 370 L CB -1.236 40.780 42.059 -0.071 0.000 0.890 370 L HN 0.213 nan 8.230 nan 0.000 0.431 371 A N -0.220 122.591 122.820 -0.015 0.000 1.859 371 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 371 A C 2.494 180.158 177.584 0.133 0.000 1.198 371 A CA 2.775 54.853 52.037 0.067 0.000 0.629 371 A CB -1.541 17.464 19.000 0.009 0.000 0.830 371 A HN 0.665 nan 8.150 nan 0.000 0.446 372 A N -0.325 122.533 122.820 0.064 0.000 1.873 372 A HA 0.027 4.347 4.320 -0.000 0.000 0.218 372 A C 2.584 180.175 177.584 0.011 0.000 1.193 372 A CA 2.930 54.987 52.037 0.034 0.000 0.629 372 A CB -1.331 17.674 19.000 0.009 0.000 0.826 372 A HN 1.329 nan 8.150 nan 0.000 0.447 373 A N 0.159 122.983 122.820 0.008 0.000 1.873 373 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 373 A C 2.008 179.590 177.584 -0.003 0.000 1.193 373 A CA 1.913 53.947 52.037 -0.004 0.000 0.629 373 A CB -0.711 18.284 19.000 -0.008 0.000 0.826 373 A HN 0.471 nan 8.150 nan 0.000 0.447 374 I N 0.568 121.153 120.570 0.024 0.000 2.248 374 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 374 I C 1.049 177.164 176.117 -0.004 0.000 1.107 374 I CA 1.333 62.657 61.300 0.039 0.000 1.373 374 I CB -1.602 36.468 38.000 0.117 0.000 1.055 374 I HN 0.286 nan 8.210 nan 0.000 0.418 375 N N 0.922 119.593 118.700 -0.048 0.000 2.471 375 N HA -0.044 4.696 4.740 -0.000 0.000 0.205 375 N C 1.164 176.604 175.510 -0.117 0.000 1.251 375 N CA 0.342 53.293 53.050 -0.165 0.000 0.843 375 N CB 0.314 38.633 38.487 -0.281 0.000 1.044 375 N HN 0.383 nan 8.380 nan 0.000 0.461 376 R N -1.726 118.731 120.500 -0.071 0.000 4.282 376 R HA 0.281 4.621 4.340 -0.000 0.000 0.093 376 R C 0.267 176.542 176.300 -0.042 0.000 0.657 376 R CA 0.179 56.243 56.100 -0.060 0.000 0.538 376 R CB -0.525 29.740 30.300 -0.057 0.000 0.704 376 R HN 0.078 nan 8.270 nan 0.000 0.349 377 G N 0.162 108.941 108.800 -0.034 0.000 2.489 377 G HA2 0.320 4.280 3.960 -0.000 0.000 0.327 377 G HA3 0.320 4.280 3.960 -0.000 0.000 0.327 377 G C 0.039 174.923 174.900 -0.027 0.000 1.189 377 G CA -0.236 44.847 45.100 -0.028 0.000 0.962 377 G HN 0.200 nan 8.290 nan 0.000 0.486 378 D N 0.115 120.499 120.400 -0.026 0.000 2.088 378 D HA -0.130 4.510 4.640 -0.000 0.000 0.191 378 D C 2.314 178.591 176.300 -0.038 0.000 0.992 378 D CA 1.187 55.169 54.000 -0.031 0.000 0.831 378 D CB 0.166 40.952 40.800 -0.024 0.000 0.973 378 D HN 0.449 nan 8.370 nan 0.000 0.447 379 K N 0.133 120.518 120.400 -0.025 0.000 2.077 379 K HA -0.175 4.145 4.320 -0.000 0.000 0.213 379 K C 2.197 178.779 176.600 -0.029 0.000 1.051 379 K CA 1.922 58.197 56.287 -0.020 0.000 0.929 379 K CB -0.442 32.056 32.500 -0.003 0.000 0.715 379 K HN 0.219 nan 8.250 nan 0.000 0.451 380 T N 1.026 115.566 114.554 -0.024 0.000 2.622 380 T HA -0.198 4.152 4.350 -0.000 0.000 0.266 380 T C 2.194 176.871 174.700 -0.037 0.000 1.047 380 T CA 1.453 63.541 62.100 -0.020 0.000 1.159 380 T CB -0.560 68.300 68.868 -0.014 0.000 0.863 380 T HN 0.348 nan 8.240 nan 0.000 0.422 381 A N 1.059 123.849 122.820 -0.049 0.000 1.902 381 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 381 A C 2.654 180.163 177.584 -0.126 0.000 1.181 381 A CA 1.520 53.517 52.037 -0.066 0.000 0.623 381 A CB -1.134 17.833 19.000 -0.054 0.000 0.818 381 A HN 0.368 nan 8.150 nan 0.000 0.443 382 V N 0.123 119.936 119.914 -0.168 0.000 2.427 382 V HA -0.185 3.935 4.120 -0.000 0.000 0.248 382 V C 1.805 177.584 176.094 -0.524 0.000 1.051 382 V CA 1.926 64.026 62.300 -0.332 0.000 1.048 382 V CB -0.600 31.059 31.823 -0.273 0.000 0.666 382 V HN 0.480 nan 8.190 nan 0.000 0.456 383 K N 0.403 120.634 120.400 -0.282 0.000 2.706 383 K HA 0.042 4.362 4.320 -0.000 0.000 0.217 383 K C 0.883 177.444 176.600 -0.065 0.000 1.019 383 K CA 0.765 56.953 56.287 -0.166 0.000 1.181 383 K CB -0.186 32.302 32.500 -0.019 0.000 0.940 383 K HN 0.626 nan 8.250 nan 0.000 0.491 384 T N -3.318 111.182 114.554 -0.089 0.000 3.041 384 T HA 0.052 4.402 4.350 -0.000 0.000 0.276 384 T C 1.575 176.320 174.700 0.076 0.000 0.948 384 T CA -0.248 61.898 62.100 0.076 0.000 0.885 384 T CB 0.330 69.260 68.868 0.105 0.000 1.175 384 T HN -0.078 nan 8.240 nan 0.000 0.529 385 V N 0.767 120.627 119.914 -0.091 0.000 2.341 385 V HA 0.078 4.198 4.120 -0.000 0.000 0.240 385 V C 2.074 178.210 176.094 0.071 0.000 1.035 385 V CA 1.030 63.301 62.300 -0.049 0.000 1.033 385 V CB -0.893 30.826 31.823 -0.173 0.000 0.678 385 V HN 0.217 nan 8.190 nan 0.000 0.464 386 F N 0.025 119.969 119.950 -0.010 0.000 2.011 386 F HA -0.089 4.438 4.527 -0.000 0.000 0.296 386 F C 1.611 177.364 175.800 -0.078 0.000 1.144 386 F CA 0.335 58.314 58.000 -0.035 0.000 1.185 386 F CB -1.405 37.580 39.000 -0.025 0.000 0.961 386 F HN 0.114 nan 8.300 nan 0.000 0.485 387 Q N 1.740 121.608 119.800 0.114 0.000 2.348 387 Q HA -0.180 4.160 4.340 -0.000 0.000 0.331 387 Q C 1.078 176.880 176.000 -0.331 0.000 1.099 387 Q CA 0.636 56.398 55.803 -0.067 0.000 1.021 387 Q CB 0.105 28.820 28.738 -0.039 0.000 1.166 387 Q HN 0.504 nan 8.270 nan 0.000 0.393 388 Q N 1.158 120.744 119.800 -0.356 0.000 2.200 388 Q HA -0.342 3.998 4.340 -0.000 0.000 0.207 388 Q C -0.610 175.146 176.000 -0.406 0.000 0.763 388 Q CA 1.181 56.700 55.803 -0.473 0.000 1.426 388 Q CB -0.846 27.400 28.738 -0.820 0.000 1.913 388 Q HN 0.742 nan 8.270 nan 0.000 0.608 389 D N -1.483 118.741 120.400 -0.293 0.000 2.812 389 D HA -0.204 4.436 4.640 -0.000 0.000 0.237 389 D C -0.257 175.979 176.300 -0.107 0.000 1.162 389 D CA 0.870 54.795 54.000 -0.125 0.000 0.740 389 D CB -1.607 39.154 40.800 -0.066 0.000 1.000 389 D HN 0.437 nan 8.370 nan 0.000 0.416 390 F N 0.024 119.976 119.950 0.002 0.000 2.664 390 F HA -0.206 4.321 4.527 -0.000 0.000 0.294 390 F C 2.414 178.202 175.800 -0.020 0.000 1.305 390 F CA 0.841 58.834 58.000 -0.011 0.000 1.473 390 F CB -0.739 38.248 39.000 -0.022 0.000 1.118 390 F HN 0.387 nan 8.300 nan 0.000 0.600 391 T N -2.115 112.507 114.554 0.113 0.000 4.774 391 T HA -0.488 3.862 4.350 -0.000 0.000 0.209 391 T C 1.416 176.145 174.700 0.048 0.000 1.556 391 T CA 2.011 64.148 62.100 0.063 0.000 1.258 391 T CB -1.171 67.722 68.868 0.041 0.000 1.317 391 T HN 0.506 nan 8.240 nan 0.000 0.618 392 D N 2.892 123.319 120.400 0.045 0.000 2.049 392 D HA 0.001 4.641 4.640 -0.000 0.000 0.233 392 D C 2.323 178.595 176.300 -0.047 0.000 0.994 392 D CA 1.363 55.361 54.000 -0.004 0.000 0.925 392 D CB -0.692 40.106 40.800 -0.004 0.000 1.146 392 D HN 0.580 nan 8.370 nan 0.000 0.472 393 I N 1.356 121.893 120.570 -0.055 0.000 2.345 393 I HA -0.323 3.847 4.170 -0.000 0.000 0.228 393 I C 1.262 177.310 176.117 -0.115 0.000 0.960 393 I CA 1.724 62.956 61.300 -0.114 0.000 1.262 393 I CB -0.848 37.056 38.000 -0.160 0.000 0.969 393 I HN 0.135 nan 8.210 nan 0.000 0.385 394 E N 0.941 121.112 120.200 -0.049 0.000 2.318 394 E HA 0.305 4.655 4.350 -0.000 0.000 0.265 394 E C -0.199 176.388 176.600 -0.022 0.000 1.069 394 E CA -0.249 56.130 56.400 -0.036 0.000 0.893 394 E CB 0.948 30.657 29.700 0.015 0.000 1.076 394 E HN 0.282 nan 8.360 nan 0.000 0.414 395 K N 1.879 122.252 120.400 -0.045 0.000 3.413 395 K HA 0.127 4.447 4.320 -0.000 0.000 0.170 395 K C -0.814 175.703 176.600 -0.139 0.000 1.005 395 K CA -0.243 56.009 56.287 -0.058 0.000 0.925 395 K CB 0.734 33.219 32.500 -0.025 0.000 0.686 395 K HN 0.304 nan 8.250 nan 0.000 0.432 396 R N 0.847 121.277 120.500 -0.117 0.000 2.644 396 R HA 0.061 4.401 4.340 -0.000 0.000 0.265 396 R C -0.164 176.010 176.300 -0.210 0.000 0.985 396 R CA 0.550 56.556 56.100 -0.156 0.000 1.097 396 R CB 0.115 30.364 30.300 -0.085 0.000 0.931 396 R HN 0.122 nan 8.270 nan 0.000 0.419 397 L N 2.017 123.077 121.223 -0.272 0.000 2.472 397 L HA 0.298 4.638 4.340 -0.000 0.000 0.260 397 L C -0.351 176.469 176.870 -0.083 0.000 0.963 397 L CA -0.842 53.860 54.840 -0.231 0.000 0.829 397 L CB 2.048 43.813 42.059 -0.490 0.000 1.348 397 L HN 0.513 nan 8.230 nan 0.000 0.408 398 L N 0.481 121.700 121.223 -0.007 0.000 2.401 398 L HA 0.434 4.774 4.340 -0.000 0.000 0.283 398 L C -0.183 176.742 176.870 0.090 0.000 1.151 398 L CA -0.072 54.792 54.840 0.039 0.000 0.942 398 L CB 0.164 42.247 42.059 0.041 0.000 1.283 398 L HN 0.664 nan 8.230 nan 0.000 0.442 399 Q N 3.393 123.265 119.800 0.121 0.000 2.390 399 Q HA 0.467 4.807 4.340 -0.000 0.000 0.249 399 Q C -0.880 175.211 176.000 0.152 0.000 0.996 399 Q CA -0.179 55.732 55.803 0.180 0.000 0.899 399 Q CB 1.032 29.921 28.738 0.251 0.000 1.216 399 Q HN 0.831 nan 8.270 nan 0.000 0.465 400 S N 2.530 118.325 115.700 0.158 0.000 2.602 400 S HA 0.584 5.054 4.470 -0.000 0.000 0.301 400 S C -0.161 174.514 174.600 0.125 0.000 1.091 400 S CA 0.376 58.657 58.200 0.134 0.000 0.895 400 S CB 0.752 64.003 63.200 0.086 0.000 1.090 400 S HN 1.094 nan 8.310 nan 0.000 0.449 401 G N 4.580 113.452 108.800 0.120 0.000 2.833 401 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.260 401 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.260 401 G C 0.140 175.110 174.900 0.115 0.000 1.412 401 G CA 0.558 45.716 45.100 0.096 0.000 0.986 401 G HN 0.806 nan 8.290 nan 0.000 0.556 402 E N 1.094 121.366 120.200 0.119 0.000 2.526 402 E HA 0.230 4.580 4.350 -0.000 0.000 0.208 402 E C 0.461 177.152 176.600 0.153 0.000 0.997 402 E CA 0.200 56.682 56.400 0.137 0.000 0.961 402 E CB 0.535 30.297 29.700 0.104 0.000 1.030 402 E HN 0.449 nan 8.360 nan 0.000 0.483 403 D N 0.379 120.870 120.400 0.152 0.000 2.363 403 D HA -0.108 4.532 4.640 -0.000 0.000 0.226 403 D C 0.994 177.386 176.300 0.154 0.000 1.020 403 D CA 0.428 54.509 54.000 0.134 0.000 0.892 403 D CB 0.095 40.969 40.800 0.124 0.000 0.900 403 D HN 0.279 nan 8.370 nan 0.000 0.531 404 Y N 1.126 121.464 120.300 0.063 0.000 2.337 404 Y HA -0.053 4.497 4.550 -0.000 0.000 0.293 404 Y C 1.846 177.724 175.900 -0.036 0.000 1.123 404 Y CA 0.954 59.079 58.100 0.042 0.000 1.201 404 Y CB 0.005 38.498 38.460 0.055 0.000 1.011 404 Y HN -0.152 nan 8.280 nan 0.000 0.545 405 I N 0.009 120.612 120.570 0.055 0.000 2.876 405 I HA -0.034 4.136 4.170 -0.000 0.000 0.264 405 I C 2.516 178.547 176.117 -0.143 0.000 1.204 405 I CA 0.958 62.217 61.300 -0.069 0.000 1.485 405 I CB -0.658 37.420 38.000 0.129 0.000 1.103 405 I HN 0.213 nan 8.210 nan 0.000 0.446 406 A N 1.071 123.870 122.820 -0.036 0.000 1.898 406 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 406 A C 2.379 179.932 177.584 -0.052 0.000 1.181 406 A CA 1.596 53.631 52.037 -0.002 0.000 0.620 406 A CB -0.539 18.498 19.000 0.063 0.000 0.819 406 A HN 0.402 nan 8.150 nan 0.000 0.442 407 M N -0.118 119.420 119.600 -0.103 0.000 2.099 407 M HA -0.055 4.425 4.480 -0.000 0.000 0.262 407 M C 1.954 178.012 176.300 -0.403 0.000 1.067 407 M CA 1.670 56.847 55.300 -0.205 0.000 1.124 407 M CB -0.838 31.522 32.600 -0.400 0.000 1.353 407 M HN 0.400 nan 8.290 nan 0.000 0.410 408 L N 0.306 121.179 121.223 -0.584 0.000 2.129 408 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 408 L C 2.368 178.850 176.870 -0.648 0.000 1.087 408 L CA 1.409 55.793 54.840 -0.760 0.000 0.757 408 L CB -0.564 40.745 42.059 -1.250 0.000 0.896 408 L HN 0.409 nan 8.230 nan 0.000 0.434 409 E N 0.089 120.010 120.200 -0.466 0.000 2.005 409 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 409 E C 1.788 178.330 176.600 -0.097 0.000 0.987 409 E CA 1.240 57.550 56.400 -0.150 0.000 0.814 409 E CB -0.170 29.526 29.700 -0.006 0.000 0.772 409 E HN 0.595 nan 8.360 nan 0.000 0.453 410 E N 0.778 120.934 120.200 -0.073 0.000 2.501 410 E HA -0.107 4.243 4.350 -0.000 0.000 0.203 410 E C 1.504 177.986 176.600 -0.198 0.000 1.072 410 E CA 0.668 57.031 56.400 -0.063 0.000 0.885 410 E CB -0.036 29.703 29.700 0.064 0.000 0.813 410 E HN 0.141 nan 8.360 nan 0.000 0.556 411 A N 1.192 123.876 122.820 -0.227 0.000 1.997 411 A HA 0.137 4.457 4.320 -0.000 0.000 0.212 411 A C 2.127 179.579 177.584 -0.221 0.000 1.178 411 A CA 0.022 51.896 52.037 -0.272 0.000 0.698 411 A CB -0.003 18.884 19.000 -0.190 0.000 0.842 411 A HN 0.186 nan 8.150 nan 0.000 0.458 412 L N -1.025 120.132 121.223 -0.109 0.000 2.375 412 L HA 0.043 4.383 4.340 -0.000 0.000 0.215 412 L C 2.771 179.610 176.870 -0.051 0.000 1.108 412 L CA 1.049 55.898 54.840 0.015 0.000 0.830 412 L CB -0.591 41.545 42.059 0.129 0.000 0.959 412 L HN 0.432 nan 8.230 nan 0.000 0.457 413 A N 0.579 123.314 122.820 -0.141 0.000 1.930 413 A HA 0.050 4.370 4.320 -0.000 0.000 0.215 413 A C 2.361 179.777 177.584 -0.280 0.000 1.176 413 A CA 1.284 53.236 52.037 -0.141 0.000 0.632 413 A CB -0.771 18.169 19.000 -0.101 0.000 0.819 413 A HN 0.367 nan 8.150 nan 0.000 0.445 414 G N -1.428 106.998 108.800 -0.624 0.000 2.414 414 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.215 414 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.215 414 G C 1.306 175.724 174.900 -0.803 0.000 1.188 414 G CA 0.972 45.419 45.100 -1.087 0.000 0.783 414 G HN 0.556 nan 8.290 nan 0.000 0.537 415 Y N 2.169 122.091 120.300 -0.631 0.000 2.680 415 Y HA 0.077 4.627 4.550 -0.000 0.000 0.303 415 Y C 2.671 178.537 175.900 -0.056 0.000 1.166 415 Y CA -0.235 57.727 58.100 -0.229 0.000 1.344 415 Y CB -0.140 38.196 38.460 -0.207 0.000 1.002 415 Y HN 0.237 nan 8.280 nan 0.000 0.537 416 G N 1.197 109.990 108.800 -0.012 0.000 2.839 416 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.221 416 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.221 416 G C 1.634 176.589 174.900 0.092 0.000 1.271 416 G CA 1.762 46.880 45.100 0.030 0.000 0.789 416 G HN 0.384 nan 8.290 nan 0.000 0.659 417 R N -0.822 119.732 120.500 0.090 0.000 2.159 417 R HA -0.248 4.092 4.340 -0.000 0.000 0.252 417 R C 2.424 178.835 176.300 0.184 0.000 1.144 417 R CA 2.011 58.183 56.100 0.120 0.000 0.961 417 R CB -1.030 29.341 30.300 0.119 0.000 0.877 417 R HN 0.551 nan 8.270 nan 0.000 0.444 418 Y N 1.573 121.953 120.300 0.134 0.000 2.097 418 Y HA -0.165 4.385 4.550 -0.000 0.000 0.282 418 Y C 1.952 177.939 175.900 0.144 0.000 1.152 418 Y CA 1.548 59.756 58.100 0.179 0.000 1.136 418 Y CB -0.315 38.326 38.460 0.302 0.000 0.975 418 Y HN -0.049 nan 8.280 nan 0.000 0.498 419 L N -0.071 121.181 121.223 0.049 0.000 2.191 419 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 419 L C 1.804 178.638 176.870 -0.061 0.000 1.103 419 L CA 1.396 56.200 54.840 -0.060 0.000 0.769 419 L CB -0.487 41.626 42.059 0.090 0.000 0.908 419 L HN 0.222 nan 8.230 nan 0.000 0.438 420 D N -0.239 120.155 120.400 -0.011 0.000 2.249 420 D HA -0.042 4.598 4.640 -0.000 0.000 0.205 420 D C 2.339 178.626 176.300 -0.021 0.000 0.962 420 D CA 0.814 54.811 54.000 -0.005 0.000 0.860 420 D CB 0.150 40.962 40.800 0.020 0.000 0.955 420 D HN 0.307 nan 8.370 nan 0.000 0.505 421 L N 0.332 121.536 121.223 -0.032 0.000 2.291 421 L HA -0.017 4.323 4.340 -0.000 0.000 0.214 421 L C 2.301 179.127 176.870 -0.073 0.000 1.120 421 L CA 0.278 55.102 54.840 -0.028 0.000 0.799 421 L CB -0.081 41.983 42.059 0.008 0.000 0.925 421 L HN 0.014 nan 8.230 nan 0.000 0.446 422 L N -0.839 120.297 121.223 -0.145 0.000 1.993 422 L HA -0.217 4.123 4.340 -0.000 0.000 0.206 422 L C 2.622 179.449 176.870 -0.073 0.000 1.074 422 L CA 1.306 56.056 54.840 -0.150 0.000 0.746 422 L CB -0.599 41.327 42.059 -0.222 0.000 0.896 422 L HN 0.267 nan 8.230 nan 0.000 0.435 423 Q N 0.247 120.013 119.800 -0.056 0.000 1.985 423 Q HA -0.232 4.108 4.340 -0.000 0.000 0.207 423 Q C 1.845 177.832 176.000 -0.021 0.000 0.996 423 Q CA 1.975 57.761 55.803 -0.029 0.000 0.851 423 Q CB -0.241 28.486 28.738 -0.017 0.000 0.921 423 Q HN 0.526 nan 8.270 nan 0.000 0.418 424 A N 0.659 123.469 122.820 -0.017 0.000 2.207 424 A HA -0.099 4.221 4.320 -0.000 0.000 0.205 424 A C 0.390 177.969 177.584 -0.010 0.000 1.310 424 A CA 0.406 52.438 52.037 -0.008 0.000 0.926 424 A CB -0.445 18.554 19.000 -0.001 0.000 0.778 424 A HN 0.403 nan 8.150 nan 0.000 0.497 425 R N -2.686 117.804 120.500 -0.017 0.000 3.962 425 R HA -0.279 4.061 4.340 -0.000 0.000 0.309 425 R C 0.721 177.015 176.300 -0.011 0.000 1.272 425 R CA 1.004 57.094 56.100 -0.016 0.000 0.967 425 R CB -2.615 27.678 30.300 -0.011 0.000 1.330 425 R HN 1.009 nan 8.270 nan 0.000 0.563 426 A N 1.637 124.453 122.820 -0.006 0.000 2.901 426 A HA -0.013 4.307 4.320 -0.000 0.000 0.289 426 A C 1.326 178.911 177.584 0.003 0.000 1.779 426 A CA 0.618 52.657 52.037 0.003 0.000 1.352 426 A CB -0.427 18.580 19.000 0.011 0.000 1.008 426 A HN 0.374 nan 8.150 nan 0.000 0.596 427 E N 2.074 122.275 120.200 0.001 0.000 2.512 427 E HA 0.006 4.356 4.350 -0.000 0.000 0.195 427 E C -1.148 175.459 176.600 0.012 0.000 1.083 427 E CA -0.490 55.910 56.400 0.001 0.000 0.873 427 E CB -0.266 29.432 29.700 -0.004 0.000 0.897 427 E HN 0.641 nan 8.360 nan 0.000 0.514 428 P HA -0.040 nan 4.420 nan 0.000 0.273 428 P C -0.138 177.185 177.300 0.039 0.000 1.372 428 P CA 0.530 63.647 63.100 0.027 0.000 0.736 428 P CB 0.300 32.018 31.700 0.030 0.000 1.539 429 D N -1.568 118.863 120.400 0.052 0.000 2.620 429 D HA 0.145 4.785 4.640 -0.000 0.000 0.260 429 D C 1.158 177.515 176.300 0.095 0.000 1.367 429 D CA 0.081 54.123 54.000 0.070 0.000 0.805 429 D CB -0.048 40.786 40.800 0.057 0.000 1.096 429 D HN 0.096 nan 8.370 nan 0.000 0.488 430 L N 0.235 121.514 121.223 0.093 0.000 2.492 430 L HA 0.160 4.500 4.340 -0.000 0.000 0.223 430 L C 2.160 179.132 176.870 0.170 0.000 1.132 430 L CA 0.408 55.314 54.840 0.111 0.000 0.850 430 L CB -0.010 42.100 42.059 0.084 0.000 0.966 430 L HN -0.006 nan 8.230 nan 0.000 0.454 431 I N -0.469 120.208 120.570 0.178 0.000 2.439 431 I HA -0.240 3.930 4.170 -0.000 0.000 0.251 431 I C 2.319 178.672 176.117 0.394 0.000 1.139 431 I CA 0.759 62.234 61.300 0.292 0.000 1.438 431 I CB 0.005 38.104 38.000 0.164 0.000 1.085 431 I HN 0.160 nan 8.210 nan 0.000 0.427 432 I N 0.607 121.317 120.570 0.234 0.000 2.133 432 I HA -0.256 3.914 4.170 -0.000 0.000 0.238 432 I C 2.341 178.592 176.117 0.223 0.000 1.074 432 I CA 1.704 63.122 61.300 0.198 0.000 1.342 432 I CB -1.245 36.830 38.000 0.126 0.000 1.053 432 I HN 0.326 nan 8.210 nan 0.000 0.404 433 Q N 0.068 119.975 119.800 0.179 0.000 2.515 433 Q HA 0.001 4.341 4.340 -0.000 0.000 0.212 433 Q C 1.978 178.089 176.000 0.185 0.000 0.970 433 Q CA 0.825 56.723 55.803 0.159 0.000 0.941 433 Q CB 0.085 28.891 28.738 0.113 0.000 0.998 433 Q HN 0.501 nan 8.270 nan 0.000 0.518 434 A N -0.231 122.745 122.820 0.259 0.000 1.984 434 A HA -0.054 4.266 4.320 -0.000 0.000 0.214 434 A C 1.578 179.341 177.584 0.300 0.000 1.173 434 A CA 0.162 52.377 52.037 0.297 0.000 0.673 434 A CB -0.264 18.984 19.000 0.413 0.000 0.830 434 A HN 0.362 nan 8.150 nan 0.000 0.453 435 F N 1.657 121.644 119.950 0.061 0.000 2.234 435 F HA -0.025 4.502 4.527 -0.000 0.000 0.299 435 F C 0.886 176.696 175.800 0.016 0.000 1.087 435 F CA 1.079 59.002 58.000 -0.128 0.000 1.340 435 F CB 0.017 38.851 39.000 -0.278 0.000 1.031 435 F HN 0.190 nan 8.300 nan 0.000 0.500 436 N N 0.747 119.529 118.700 0.136 0.000 2.375 436 N HA 0.006 4.746 4.740 -0.000 0.000 0.220 436 N C 0.872 176.476 175.510 0.156 0.000 1.170 436 N CA 0.323 53.481 53.050 0.180 0.000 0.833 436 N CB -0.068 38.557 38.487 0.230 0.000 1.069 436 N HN 0.531 nan 8.380 nan 0.000 0.479 437 E N -0.975 119.259 120.200 0.057 0.000 2.364 437 E HA 0.065 4.415 4.350 -0.000 0.000 0.203 437 E C -0.506 176.101 176.600 0.012 0.000 0.888 437 E CA 0.164 56.604 56.400 0.067 0.000 0.989 437 E CB 0.728 30.478 29.700 0.084 0.000 0.985 437 E HN 0.188 nan 8.360 nan 0.000 0.499 438 Y N 0.794 120.869 120.300 -0.375 0.000 2.462 438 Y HA 0.453 5.003 4.550 -0.000 0.000 0.346 438 Y C -1.366 173.963 175.900 -0.951 0.000 0.976 438 Y CA -0.820 56.869 58.100 -0.684 0.000 1.044 438 Y CB 1.920 39.726 38.460 -1.090 0.000 1.230 438 Y HN -0.247 nan 8.280 nan 0.000 0.455 439 Q N 4.021 122.922 119.800 -1.499 0.000 2.327 439 Q HA 0.450 4.790 4.340 -0.000 0.000 0.265 439 Q C -2.244 173.172 176.000 -0.973 0.000 0.993 439 Q CA -0.352 54.713 55.803 -1.229 0.000 0.885 439 Q CB 1.655 29.380 28.738 -1.688 0.000 1.379 439 Q HN 0.824 nan 8.270 nan 0.000 0.408 440 L N 4.514 125.394 121.223 -0.571 0.000 2.292 440 L HA 0.626 4.966 4.340 -0.000 0.000 0.284 440 L C -0.575 176.161 176.870 -0.223 0.000 1.065 440 L CA -0.598 54.050 54.840 -0.321 0.000 0.806 440 L CB 0.731 42.720 42.059 -0.117 0.000 1.175 440 L HN 0.566 nan 8.230 nan 0.000 0.431 441 L N 3.585 124.720 121.223 -0.147 0.000 2.401 441 L HA 0.666 5.006 4.340 -0.000 0.000 0.266 441 L C -0.851 176.016 176.870 -0.005 0.000 0.991 441 L CA -0.682 54.118 54.840 -0.066 0.000 0.818 441 L CB 2.153 44.178 42.059 -0.057 0.000 1.321 441 L HN 0.692 nan 8.230 nan 0.000 0.413 442 C N -0.162 119.156 119.300 0.031 0.000 2.686 442 C HA 0.762 5.222 4.460 -0.000 0.000 0.318 442 C C 1.283 176.315 174.990 0.070 0.000 1.160 442 C CA -0.432 58.623 59.018 0.062 0.000 1.396 442 C CB 0.943 28.741 27.740 0.097 0.000 1.924 442 C HN 1.016 nan 8.230 nan 0.000 0.471 443 A N 2.677 125.537 122.820 0.066 0.000 1.940 443 A HA 0.069 4.389 4.320 -0.000 0.000 0.219 443 A C 0.907 178.536 177.584 0.074 0.000 1.176 443 A CA 1.243 53.319 52.037 0.066 0.000 0.631 443 A CB -0.522 18.509 19.000 0.050 0.000 0.814 443 A HN 0.881 nan 8.150 nan 0.000 0.446 444 L N -2.163 119.114 121.223 0.091 0.000 2.421 444 L HA 0.404 4.744 4.340 -0.000 0.000 0.263 444 L C 1.585 178.500 176.870 0.074 0.000 1.122 444 L CA -0.527 54.366 54.840 0.090 0.000 0.804 444 L CB 0.687 42.822 42.059 0.126 0.000 1.150 444 L HN 0.202 nan 8.230 nan 0.000 0.457 445 R N -0.060 120.473 120.500 0.054 0.000 2.105 445 R HA 0.110 4.449 4.340 -0.000 0.000 0.214 445 R C 0.307 176.630 176.300 0.038 0.000 1.091 445 R CA 0.581 56.702 56.100 0.036 0.000 1.007 445 R CB 0.441 30.749 30.300 0.015 0.000 0.912 445 R HN 0.687 nan 8.270 nan 0.000 0.450 446 E N -1.146 119.078 120.200 0.041 0.000 2.299 446 E HA 0.511 4.861 4.350 -0.000 0.000 0.265 446 E C -1.038 175.581 176.600 0.032 0.000 0.911 446 E CA -0.426 55.991 56.400 0.028 0.000 0.789 446 E CB 1.795 31.507 29.700 0.020 0.000 1.246 446 E HN 0.275 nan 8.360 nan 0.000 0.427 447 G N 2.119 110.915 108.800 -0.006 0.000 2.371 447 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.663 447 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.663 447 G C -2.557 172.248 174.900 -0.160 0.000 1.311 447 G CA -0.536 44.530 45.100 -0.057 0.000 0.985 447 G HN 0.455 nan 8.290 nan 0.000 0.566 448 P HA 0.185 nan 4.420 nan 0.000 0.226 448 P C 0.602 177.513 177.300 -0.649 0.000 1.153 448 P CA 1.069 63.762 63.100 -0.677 0.000 0.777 448 P CB 0.000 31.047 31.700 -1.089 0.000 0.794 449 F N -1.495 118.490 119.950 0.058 0.000 2.977 449 F HA 0.612 5.139 4.527 -0.000 0.000 0.317 449 F C 1.558 177.398 175.800 0.068 0.000 1.425 449 F CA -0.436 57.621 58.000 0.095 0.000 1.038 449 F CB -0.586 38.457 39.000 0.072 0.000 1.797 449 F HN -0.174 nan 8.300 nan 0.000 0.442 450 G N 0.248 109.207 108.800 0.266 0.000 2.914 450 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.254 450 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.254 450 G C 0.276 175.240 174.900 0.106 0.000 1.449 450 G CA -0.276 44.912 45.100 0.147 0.000 0.925 450 G HN 0.544 nan 8.290 nan 0.000 0.555 451 V N 1.092 121.053 119.914 0.078 0.000 2.251 451 V HA 0.111 4.231 4.120 -0.000 0.000 0.233 451 V C 3.455 179.582 176.094 0.054 0.000 1.041 451 V CA 3.161 65.503 62.300 0.070 0.000 1.000 451 V CB -1.671 30.188 31.823 0.061 0.000 0.643 451 V HN 2.069 nan 8.190 nan 0.000 0.460 452 A N 0.976 123.817 122.820 0.035 0.000 1.916 452 A HA -0.341 3.979 4.320 -0.000 0.000 0.224 452 A C 2.334 179.924 177.584 0.010 0.000 1.366 452 A CA 3.085 55.131 52.037 0.015 0.000 0.692 452 A CB -1.701 17.302 19.000 0.006 0.000 0.841 452 A HN 0.724 nan 8.150 nan 0.000 0.480 453 G N -1.396 107.409 108.800 0.008 0.000 2.422 453 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.218 453 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.218 453 G C 1.511 176.430 174.900 0.032 0.000 1.140 453 G CA 0.894 45.990 45.100 -0.007 0.000 0.775 453 G HN 0.457 nan 8.290 nan 0.000 0.545 454 L N -0.108 121.156 121.223 0.068 0.000 2.313 454 L HA 0.027 4.367 4.340 -0.000 0.000 0.214 454 L C 2.553 179.488 176.870 0.108 0.000 1.119 454 L CA 0.553 55.459 54.840 0.111 0.000 0.809 454 L CB -0.233 41.897 42.059 0.118 0.000 0.933 454 L HN 0.219 nan 8.230 nan 0.000 0.449 455 N N -0.296 118.450 118.700 0.075 0.000 2.106 455 N HA -0.212 4.528 4.740 -0.000 0.000 0.188 455 N C 1.743 177.241 175.510 -0.019 0.000 1.029 455 N CA 1.083 54.154 53.050 0.035 0.000 0.848 455 N CB 0.012 38.482 38.487 -0.028 0.000 1.007 455 N HN 0.257 nan 8.380 nan 0.000 0.423 456 E N 1.258 121.449 120.200 -0.015 0.000 2.000 456 E HA -0.206 4.144 4.350 -0.000 0.000 0.199 456 E C 1.391 178.014 176.600 0.038 0.000 1.011 456 E CA 1.011 57.401 56.400 -0.016 0.000 0.836 456 E CB 0.029 29.722 29.700 -0.012 0.000 0.778 456 E HN 0.129 nan 8.360 nan 0.000 0.462 457 R N 0.130 120.676 120.500 0.077 0.000 2.407 457 R HA -0.139 4.201 4.340 -0.000 0.000 0.241 457 R C 2.073 178.465 176.300 0.153 0.000 1.180 457 R CA 0.885 57.072 56.100 0.145 0.000 1.048 457 R CB -0.458 29.980 30.300 0.231 0.000 0.847 457 R HN 0.477 nan 8.270 nan 0.000 0.488 458 I N -0.963 119.683 120.570 0.127 0.000 3.194 458 I HA -0.075 4.095 4.170 -0.000 0.000 0.271 458 I C 1.777 178.004 176.117 0.184 0.000 1.150 458 I CA 0.062 61.464 61.300 0.171 0.000 1.440 458 I CB -0.042 38.109 38.000 0.253 0.000 1.276 458 I HN 0.032 nan 8.210 nan 0.000 0.457 459 E N 0.993 121.216 120.200 0.038 0.000 2.097 459 E HA -0.356 3.994 4.350 -0.000 0.000 0.196 459 E C 1.984 178.605 176.600 0.034 0.000 1.000 459 E CA 1.615 57.978 56.400 -0.062 0.000 0.804 459 E CB -0.173 29.418 29.700 -0.182 0.000 0.740 459 E HN 0.448 nan 8.360 nan 0.000 0.454 460 Q N 0.025 119.866 119.800 0.070 0.000 2.096 460 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 460 Q C 1.832 177.909 176.000 0.129 0.000 0.982 460 Q CA 1.355 57.209 55.803 0.085 0.000 0.850 460 Q CB -0.152 28.649 28.738 0.104 0.000 0.901 460 Q HN 0.243 nan 8.270 nan 0.000 0.422 461 F N -0.175 119.798 119.950 0.038 0.000 2.502 461 F HA 0.021 4.548 4.527 -0.000 0.000 0.298 461 F C 1.451 177.280 175.800 0.049 0.000 1.111 461 F CA 0.925 58.951 58.000 0.042 0.000 1.445 461 F CB 0.307 39.334 39.000 0.045 0.000 1.081 461 F HN 0.093 nan 8.300 nan 0.000 0.558 462 M N -0.926 118.789 119.600 0.192 0.000 2.475 462 M HA 0.096 4.576 4.480 -0.000 0.000 0.283 462 M C 0.853 177.184 176.300 0.052 0.000 1.165 462 M CA 0.287 55.670 55.300 0.138 0.000 0.976 462 M CB 0.346 33.080 32.600 0.224 0.000 1.428 462 M HN 0.116 nan 8.290 nan 0.000 0.495 463 Q N -0.781 119.026 119.800 0.010 0.000 2.471 463 Q HA 0.111 4.451 4.340 -0.000 0.000 0.259 463 Q C 0.950 176.929 176.000 -0.035 0.000 0.850 463 Q CA 0.152 55.946 55.803 -0.015 0.000 0.981 463 Q CB 0.383 29.106 28.738 -0.025 0.000 1.180 463 Q HN 0.445 nan 8.270 nan 0.000 0.571 464 Q N 0.570 120.335 119.800 -0.058 0.000 2.291 464 Q HA 0.108 4.448 4.340 -0.000 0.000 0.211 464 Q C 0.389 176.307 176.000 -0.136 0.000 0.925 464 Q CA 0.530 56.272 55.803 -0.102 0.000 0.949 464 Q CB 0.317 28.972 28.738 -0.138 0.000 1.015 464 Q HN 0.176 nan 8.270 nan 0.000 0.477 465 K N -1.433 118.915 120.400 -0.087 0.000 3.148 465 K HA 0.154 4.474 4.320 -0.000 0.000 0.219 465 K C -0.216 176.371 176.600 -0.021 0.000 2.206 465 K CA -0.351 55.894 56.287 -0.070 0.000 1.506 465 K CB 1.038 33.485 32.500 -0.088 0.000 2.496 465 K HN -0.051 nan 8.250 nan 0.000 0.570 524 P HA 0.229 nan 4.420 nan 0.000 0.206 524 P C -0.207 177.114 177.300 0.036 0.000 1.212 524 P CA 0.613 63.733 63.100 0.034 0.000 0.919 524 P CB 0.283 32.007 31.700 0.041 0.000 0.755 525 S N -3.328 112.398 115.700 0.044 0.000 2.755 525 S HA 0.415 4.885 4.470 -0.000 0.000 0.286 525 S C -1.195 173.441 174.600 0.060 0.000 1.207 525 S CA -0.328 57.901 58.200 0.049 0.000 0.892 525 S CB 0.529 63.759 63.200 0.050 0.000 1.240 525 S HN 0.272 nan 8.310 nan 0.000 0.525 526 R N 0.792 121.335 120.500 0.071 0.000 2.727 526 R HA -0.165 4.175 4.340 -0.000 0.000 0.224 526 R C -1.337 175.019 176.300 0.093 0.000 0.789 526 R CA 0.626 56.779 56.100 0.089 0.000 0.532 526 R CB -2.314 28.044 30.300 0.097 0.000 1.130 526 R HN 0.391 nan 8.270 nan 0.000 0.511 527 L N 2.555 123.830 121.223 0.086 0.000 2.313 527 L HA 0.577 4.917 4.340 -0.000 0.000 0.283 527 L C -1.187 175.745 176.870 0.103 0.000 1.013 527 L CA -2.128 52.765 54.840 0.088 0.000 0.816 527 L CB 1.580 43.678 42.059 0.065 0.000 1.236 527 L HN 0.273 nan 8.230 nan 0.000 0.419 528 P HA 0.180 nan 4.420 nan 0.000 0.275 528 P C -0.887 176.457 177.300 0.073 0.000 1.270 528 P CA -0.145 63.049 63.100 0.157 0.000 0.791 528 P CB 0.685 32.548 31.700 0.273 0.000 1.089 529 E N -0.565 119.653 120.200 0.030 0.000 7.502 529 E HA -0.065 4.285 4.350 -0.000 0.000 0.195 529 E C -0.904 175.679 176.600 -0.028 0.000 0.892 529 E CA -0.203 56.125 56.400 -0.120 0.000 1.693 529 E CB -1.540 28.087 29.700 -0.122 0.000 0.892 529 E HN 0.617 nan 8.360 nan 0.000 0.264 530 H N 1.272 120.293 119.070 -0.081 0.000 1.513 530 H HA -0.169 4.387 4.556 -0.000 0.000 0.319 530 H C 1.040 176.356 175.328 -0.020 0.000 0.750 530 H CA 1.420 57.438 56.048 -0.051 0.000 1.080 530 H CB -0.488 29.201 29.762 -0.121 0.000 1.444 530 H HN 0.370 nan 8.280 nan 0.000 0.233 531 E N 1.222 121.505 120.200 0.139 0.000 2.370 531 E HA 0.051 4.401 4.350 -0.000 0.000 0.194 531 E C -0.075 176.566 176.600 0.069 0.000 1.057 531 E CA 0.096 56.547 56.400 0.084 0.000 1.011 531 E CB -0.195 29.556 29.700 0.085 0.000 1.132 531 E HN 0.540 nan 8.360 nan 0.000 0.450 532 T N -1.312 113.280 114.554 0.063 0.000 4.141 532 T HA -0.236 4.114 4.350 -0.000 0.000 0.352 532 T C 0.831 175.579 174.700 0.080 0.000 0.756 532 T CA 0.996 63.082 62.100 -0.023 0.000 1.958 532 T CB -2.761 66.072 68.868 -0.059 0.000 1.848 532 T HN 0.503 nan 8.240 nan 0.000 0.872 533 T N -2.109 112.567 114.554 0.204 0.000 2.793 533 T HA -0.017 4.333 4.350 -0.000 0.000 0.228 533 T C 1.352 176.321 174.700 0.449 0.000 1.086 533 T CA 1.322 63.601 62.100 0.298 0.000 1.743 533 T CB -0.285 68.812 68.868 0.382 0.000 1.187 533 T HN 0.702 nan 8.240 nan 0.000 0.404 534 W N 1.849 123.310 121.300 0.268 0.000 0.884 534 W HA -0.339 4.321 4.660 -0.000 0.000 0.219 534 W C 0.219 176.783 176.519 0.076 0.000 0.924 534 W CA 0.964 58.391 57.345 0.137 0.000 0.352 534 W CB -1.502 27.933 29.460 -0.042 0.000 1.918 534 W HN 0.894 nan 8.180 nan 0.000 1.397 535 A N 0.438 123.414 122.820 0.259 0.000 2.486 535 A HA 0.810 5.130 4.320 -0.000 0.000 0.300 535 A C -0.679 176.956 177.584 0.085 0.000 1.048 535 A CA -0.482 51.617 52.037 0.103 0.000 0.696 535 A CB 1.755 20.826 19.000 0.117 0.000 1.278 535 A HN 0.074 nan 8.150 nan 0.000 0.405 536 M N 1.032 120.646 119.600 0.023 0.000 2.658 536 M HA 0.446 4.926 4.480 -0.000 0.000 0.295 536 M C 0.130 176.461 176.300 0.051 0.000 1.248 536 M CA -0.667 54.661 55.300 0.048 0.000 0.843 536 M CB 2.643 35.266 32.600 0.038 0.000 1.749 536 M HN 0.863 nan 8.290 nan 0.000 0.464 537 T N -1.003 113.598 114.554 0.078 0.000 2.884 537 T HA 0.240 4.590 4.350 -0.000 0.000 0.298 537 T C 1.030 175.796 174.700 0.110 0.000 0.998 537 T CA -0.863 61.291 62.100 0.090 0.000 1.124 537 T CB 0.723 69.646 68.868 0.091 0.000 0.931 537 T HN 0.420 nan 8.240 nan 0.000 0.531 538 V N 2.163 122.133 119.914 0.093 0.000 2.636 538 V HA -0.234 3.886 4.120 -0.000 0.000 0.258 538 V C 2.572 178.727 176.094 0.102 0.000 1.092 538 V CA 2.140 64.488 62.300 0.080 0.000 1.110 538 V CB -1.393 30.466 31.823 0.060 0.000 0.685 538 V HN 1.024 nan 8.190 nan 0.000 0.481 539 H N 1.566 120.656 119.070 0.033 0.000 2.326 539 H HA -0.115 4.441 4.556 -0.000 0.000 0.301 539 H C 2.196 177.546 175.328 0.037 0.000 1.081 539 H CA 2.039 58.105 56.048 0.030 0.000 1.334 539 H CB 0.042 29.817 29.762 0.022 0.000 1.385 539 H HN 0.416 nan 8.280 nan 0.000 0.504 540 K N 0.518 121.134 120.400 0.361 0.000 2.365 540 K HA -0.051 4.269 4.320 -0.000 0.000 0.199 540 K C 2.279 178.968 176.600 0.148 0.000 1.045 540 K CA 0.967 57.415 56.287 0.268 0.000 0.962 540 K CB 0.092 32.712 32.500 0.201 0.000 0.759 540 K HN 0.275 nan 8.250 nan 0.000 0.469 541 S N 0.521 116.300 115.700 0.132 0.000 2.515 541 S HA -0.109 4.361 4.470 -0.000 0.000 0.231 541 S C 0.840 175.478 174.600 0.064 0.000 0.987 541 S CA 0.014 58.308 58.200 0.157 0.000 0.936 541 S CB -0.095 63.228 63.200 0.205 0.000 0.766 541 S HN 0.194 nan 8.310 nan 0.000 0.528 542 Q N 1.120 120.919 119.800 -0.002 0.000 2.269 542 Q HA 0.391 4.730 4.340 -0.000 0.000 0.300 542 Q C 0.994 176.970 176.000 -0.040 0.000 1.070 542 Q CA 1.324 57.095 55.803 -0.053 0.000 0.957 542 Q CB -0.069 28.599 28.738 -0.117 0.000 1.131 542 Q HN 0.686 nan 8.270 nan 0.000 0.377 543 G N 2.229 110.992 108.800 -0.061 0.000 2.171 543 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.238 543 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.238 543 G C -0.286 174.561 174.900 -0.087 0.000 1.039 543 G CA 0.065 45.128 45.100 -0.061 0.000 0.759 543 G HN 0.582 nan 8.290 nan 0.000 0.501 544 S N -1.113 114.493 115.700 -0.156 0.000 2.720 544 S HA 0.867 5.337 4.470 -0.000 0.000 0.287 544 S C -0.535 173.718 174.600 -0.578 0.000 1.168 544 S CA -0.815 57.213 58.200 -0.287 0.000 0.832 544 S CB 2.611 65.704 63.200 -0.178 0.000 1.166 544 S HN 0.464 nan 8.310 nan 0.000 0.493 545 E N -0.481 119.136 120.200 -0.970 0.000 2.407 545 E HA 0.620 4.970 4.350 -0.000 0.000 0.279 545 E C -1.896 173.867 176.600 -1.396 0.000 1.012 545 E CA -0.587 55.150 56.400 -1.105 0.000 0.800 545 E CB 1.694 31.109 29.700 -0.475 0.000 1.276 545 E HN 0.420 nan 8.360 nan 0.000 0.452 546 F N -0.317 119.571 119.950 -0.104 0.000 2.686 546 F HA 0.328 4.855 4.527 -0.000 0.000 0.311 546 F C 0.567 176.310 175.800 -0.096 0.000 1.128 546 F CA -0.882 57.047 58.000 -0.117 0.000 0.946 546 F CB 0.717 39.601 39.000 -0.194 0.000 1.336 546 F HN 0.283 nan 8.300 nan 0.000 0.457 547 D N -1.423 119.036 120.400 0.100 0.000 2.106 547 D HA -0.078 4.561 4.640 -0.000 0.000 0.203 547 D C 0.308 176.644 176.300 0.060 0.000 0.977 547 D CA 1.684 55.713 54.000 0.048 0.000 0.844 547 D CB -0.109 40.724 40.800 0.055 0.000 1.002 547 D HN 0.292 nan 8.370 nan 0.000 0.461 548 H N 0.340 119.409 119.070 -0.002 0.000 2.541 548 H HA 0.626 5.182 4.556 -0.000 0.000 0.316 548 H C -1.232 173.940 175.328 -0.259 0.000 1.043 548 H CA -0.874 55.159 56.048 -0.026 0.000 1.232 548 H CB 0.717 30.579 29.762 0.168 0.000 1.406 548 H HN -0.064 nan 8.280 nan 0.000 0.469 549 A N 3.861 126.741 122.820 0.100 0.000 2.331 549 A HA 0.759 5.079 4.320 -0.000 0.000 0.320 549 A C -0.849 176.687 177.584 -0.081 0.000 1.138 549 A CA -0.252 51.701 52.037 -0.140 0.000 0.790 549 A CB 0.872 19.876 19.000 0.007 0.000 1.206 549 A HN 0.777 nan 8.150 nan 0.000 0.470 550 A N 1.801 124.444 122.820 -0.295 0.000 2.342 550 A HA 0.711 5.031 4.320 -0.000 0.000 0.323 550 A C -0.978 176.579 177.584 -0.045 0.000 1.125 550 A CA -0.464 51.547 52.037 -0.043 0.000 0.785 550 A CB 0.997 19.968 19.000 -0.048 0.000 1.221 550 A HN 1.695 nan 8.150 nan 0.000 0.463 551 L N 2.472 123.745 121.223 0.084 0.000 2.346 551 L HA 0.823 5.163 4.340 -0.000 0.000 0.276 551 L C -1.367 175.571 176.870 0.115 0.000 1.006 551 L CA -0.505 54.367 54.840 0.053 0.000 0.817 551 L CB 1.291 43.373 42.059 0.037 0.000 1.272 551 L HN 0.510 nan 8.230 nan 0.000 0.421 552 I N 5.691 126.300 120.570 0.065 0.000 2.420 552 I HA 0.383 4.553 4.170 -0.000 0.000 0.282 552 I C -0.447 175.698 176.117 0.047 0.000 1.019 552 I CA -0.037 61.313 61.300 0.083 0.000 1.130 552 I CB 1.330 39.379 38.000 0.081 0.000 1.262 552 I HN 0.498 nan 8.210 nan 0.000 0.454 553 L N 7.779 129.002 121.223 -0.000 0.000 2.399 553 L HA 0.504 4.844 4.340 -0.000 0.000 0.266 553 L C -1.790 174.908 176.870 -0.287 0.000 1.114 553 L CA -1.775 53.016 54.840 -0.082 0.000 0.804 553 L CB 0.497 42.514 42.059 -0.070 0.000 1.146 553 L HN 0.311 nan 8.230 nan 0.000 0.451 554 P HA -0.057 nan 4.420 nan 0.000 0.272 554 P C 0.447 177.158 177.300 -0.982 0.000 1.248 554 P CA -0.128 62.459 63.100 -0.855 0.000 0.799 554 P CB 0.643 32.171 31.700 -0.287 0.000 0.997 555 S N -0.153 114.783 115.700 -1.274 0.000 2.355 555 S HA -0.121 4.349 4.470 -0.000 0.000 0.222 555 S C 0.433 174.917 174.600 -0.194 0.000 1.031 555 S CA 1.133 59.042 58.200 -0.484 0.000 0.993 555 S CB -0.284 62.923 63.200 0.012 0.000 0.859 555 S HN 0.568 nan 8.310 nan 0.000 0.453 556 Q N -0.181 119.544 119.800 -0.124 0.000 2.686 556 Q HA 0.457 4.797 4.340 -0.000 0.000 0.222 556 Q C -0.732 175.251 176.000 -0.027 0.000 0.777 556 Q CA -0.352 55.417 55.803 -0.057 0.000 1.018 556 Q CB 1.616 30.345 28.738 -0.016 0.000 1.563 556 Q HN 0.320 nan 8.270 nan 0.000 0.479 557 R N -0.694 119.787 120.500 -0.032 0.000 4.907 557 R HA 0.044 4.384 4.340 -0.000 0.000 0.203 557 R C -1.052 175.243 176.300 -0.008 0.000 0.886 557 R CA 0.206 56.300 56.100 -0.010 0.000 0.562 557 R CB -0.555 29.752 30.300 0.012 0.000 2.077 557 R HN 0.780 nan 8.270 nan 0.000 0.350 558 T N 1.257 115.815 114.554 0.007 0.000 2.087 558 T HA -0.136 4.214 4.350 -0.000 0.000 0.351 558 T C -1.304 173.408 174.700 0.018 0.000 1.000 558 T CA 0.513 62.624 62.100 0.018 0.000 1.895 558 T CB -0.065 68.822 68.868 0.031 0.000 1.211 558 T HN 0.447 nan 8.240 nan 0.000 0.390 559 P HA 0.151 nan 4.420 nan 0.000 0.245 559 P C 1.405 178.731 177.300 0.045 0.000 1.206 559 P CA -0.048 63.075 63.100 0.039 0.000 0.781 559 P CB 0.134 31.869 31.700 0.059 0.000 0.994 560 V N 0.099 120.041 119.914 0.047 0.000 2.871 560 V HA -0.059 4.061 4.120 -0.000 0.000 0.256 560 V C 1.405 177.525 176.094 0.043 0.000 1.082 560 V CA 1.012 63.343 62.300 0.051 0.000 1.105 560 V CB -0.265 31.591 31.823 0.055 0.000 0.713 560 V HN -0.095 nan 8.190 nan 0.000 0.473 561 V N 2.515 122.447 119.914 0.030 0.000 2.322 561 V HA 0.271 4.391 4.120 -0.000 0.000 0.258 561 V C 0.614 176.720 176.094 0.019 0.000 1.074 561 V CA 0.146 62.459 62.300 0.021 0.000 0.909 561 V CB 0.141 31.966 31.823 0.004 0.000 1.090 561 V HN 0.626 nan 8.190 nan 0.000 0.486 562 T N 1.694 116.263 114.554 0.025 0.000 2.889 562 T HA 0.402 4.752 4.350 -0.000 0.000 0.278 562 T C 1.146 175.858 174.700 0.021 0.000 0.995 562 T CA -0.589 61.523 62.100 0.019 0.000 0.966 562 T CB 1.696 70.576 68.868 0.021 0.000 1.237 562 T HN 0.383 nan 8.240 nan 0.000 0.591 563 R N 0.284 120.791 120.500 0.011 0.000 2.070 563 R HA -0.117 4.223 4.340 -0.000 0.000 0.233 563 R C 2.068 178.397 176.300 0.047 0.000 1.137 563 R CA 1.953 58.061 56.100 0.013 0.000 0.945 563 R CB -0.563 29.726 30.300 -0.020 0.000 0.845 563 R HN 0.783 nan 8.270 nan 0.000 0.430 564 E N 1.016 121.235 120.200 0.032 0.000 2.118 564 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 564 E C 1.894 178.561 176.600 0.111 0.000 0.992 564 E CA 1.413 57.855 56.400 0.071 0.000 0.804 564 E CB -0.268 29.447 29.700 0.026 0.000 0.741 564 E HN 0.363 nan 8.360 nan 0.000 0.458 565 L N 0.131 121.395 121.223 0.069 0.000 1.994 565 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 565 L C 2.077 178.982 176.870 0.058 0.000 1.071 565 L CA 1.266 56.141 54.840 0.060 0.000 0.745 565 L CB -0.218 41.871 42.059 0.050 0.000 0.892 565 L HN 0.062 nan 8.230 nan 0.000 0.431 566 V N -0.528 119.421 119.914 0.058 0.000 2.295 566 V HA -0.350 3.770 4.120 -0.000 0.000 0.246 566 V C 2.267 178.394 176.094 0.056 0.000 1.049 566 V CA 2.197 64.524 62.300 0.045 0.000 1.024 566 V CB -1.000 30.847 31.823 0.039 0.000 0.648 566 V HN 0.622 nan 8.190 nan 0.000 0.447 567 Y N 2.290 122.573 120.300 -0.028 0.000 2.081 567 Y HA -0.360 4.190 4.550 -0.000 0.000 0.280 567 Y C 2.875 178.753 175.900 -0.035 0.000 1.163 567 Y CA 2.597 60.676 58.100 -0.036 0.000 1.135 567 Y CB -0.814 37.621 38.460 -0.041 0.000 0.970 567 Y HN 0.446 nan 8.280 nan 0.000 0.498 568 T N -1.653 112.855 114.554 -0.076 0.000 2.962 568 T HA -0.031 4.319 4.350 -0.000 0.000 0.270 568 T C 1.969 176.580 174.700 -0.148 0.000 1.088 568 T CA 0.949 62.945 62.100 -0.173 0.000 1.127 568 T CB -0.850 68.001 68.868 -0.030 0.000 0.883 568 T HN 0.414 nan 8.240 nan 0.000 0.493 569 A N 1.570 124.339 122.820 -0.084 0.000 1.832 569 A HA 0.103 4.423 4.320 -0.000 0.000 0.214 569 A C 2.618 180.149 177.584 -0.089 0.000 1.200 569 A CA 1.500 53.508 52.037 -0.049 0.000 0.610 569 A CB -1.219 17.770 19.000 -0.017 0.000 0.842 569 A HN 0.365 nan 8.150 nan 0.000 0.444 570 V N 1.115 120.956 119.914 -0.121 0.000 2.317 570 V HA -0.277 3.843 4.120 -0.000 0.000 0.251 570 V C 2.633 178.610 176.094 -0.195 0.000 1.065 570 V CA 2.455 64.670 62.300 -0.142 0.000 1.049 570 V CB -1.493 30.242 31.823 -0.146 0.000 0.651 570 V HN 0.828 nan 8.190 nan 0.000 0.450 571 T N -2.318 112.055 114.554 -0.302 0.000 3.284 571 T HA 0.016 4.366 4.350 -0.000 0.000 0.252 571 T C 1.513 176.083 174.700 -0.216 0.000 1.144 571 T CA 0.185 62.098 62.100 -0.311 0.000 1.021 571 T CB -0.190 68.385 68.868 -0.489 0.000 0.984 571 T HN 0.297 nan 8.240 nan 0.000 0.545 572 R N 0.935 121.344 120.500 -0.152 0.000 2.265 572 R HA 0.473 4.813 4.340 -0.000 0.000 0.194 572 R C 0.910 177.137 176.300 -0.122 0.000 0.931 572 R CA 0.148 56.171 56.100 -0.128 0.000 1.032 572 R CB -0.219 30.110 30.300 0.048 0.000 0.980 572 R HN 0.517 nan 8.270 nan 0.000 0.497 573 A N 1.141 123.910 122.820 -0.084 0.000 2.290 573 A HA 0.428 4.748 4.320 -0.000 0.000 0.310 573 A C 0.610 178.130 177.584 -0.106 0.000 1.202 573 A CA -0.465 51.532 52.037 -0.067 0.000 0.837 573 A CB 0.749 19.713 19.000 -0.060 0.000 1.139 573 A HN 0.128 nan 8.150 nan 0.000 0.509 574 R N 0.800 121.244 120.500 -0.094 0.000 2.290 574 R HA 0.166 4.506 4.340 -0.000 0.000 0.197 574 R C 1.007 177.254 176.300 -0.089 0.000 0.913 574 R CA 0.617 56.660 56.100 -0.095 0.000 1.040 574 R CB 0.380 30.629 30.300 -0.086 0.000 0.992 574 R HN 0.804 nan 8.270 nan 0.000 0.500 575 R N -0.469 119.976 120.500 -0.092 0.000 2.890 575 R HA 0.310 4.650 4.340 -0.000 0.000 0.101 575 R C -0.033 176.173 176.300 -0.156 0.000 1.054 575 R CA -0.755 55.283 56.100 -0.103 0.000 0.858 575 R CB 0.226 30.482 30.300 -0.073 0.000 0.757 575 R HN -0.144 nan 8.270 nan 0.000 0.370 576 R N 1.327 121.690 120.500 -0.228 0.000 2.582 576 R HA 0.337 4.676 4.340 -0.000 0.000 0.271 576 R C -0.967 175.083 176.300 -0.416 0.000 1.078 576 R CA -0.185 55.661 56.100 -0.423 0.000 1.127 576 R CB 0.712 30.544 30.300 -0.780 0.000 1.038 576 R HN 0.181 nan 8.270 nan 0.000 0.500 577 L N 0.110 121.142 121.223 -0.318 0.000 2.528 577 L HA 0.378 4.718 4.340 -0.000 0.000 0.267 577 L C -1.337 175.515 176.870 -0.030 0.000 0.961 577 L CA 0.000 54.769 54.840 -0.120 0.000 0.866 577 L CB 2.336 44.334 42.059 -0.102 0.000 1.248 577 L HN 0.418 nan 8.230 nan 0.000 0.404 578 S N 5.018 120.800 115.700 0.138 0.000 2.565 578 S HA 0.743 5.213 4.470 -0.000 0.000 0.290 578 S C -0.712 173.926 174.600 0.063 0.000 1.150 578 S CA -0.547 57.715 58.200 0.104 0.000 1.058 578 S CB 1.524 64.908 63.200 0.306 0.000 1.032 578 S HN 0.729 nan 8.310 nan 0.000 0.510 579 L N 3.627 124.802 121.223 -0.079 0.000 2.490 579 L HA 0.391 4.731 4.340 -0.000 0.000 0.256 579 L C -1.684 175.143 176.870 -0.071 0.000 1.089 579 L CA -0.620 54.216 54.840 -0.006 0.000 0.916 579 L CB 0.308 42.350 42.059 -0.028 0.000 1.188 579 L HN 0.710 nan 8.230 nan 0.000 0.476 580 Y N 3.230 123.531 120.300 0.002 0.000 2.620 580 Y HA 0.487 5.037 4.550 -0.000 0.000 0.352 580 Y C 0.726 176.622 175.900 -0.007 0.000 1.140 580 Y CA -0.041 58.063 58.100 0.007 0.000 1.529 580 Y CB 0.091 38.558 38.460 0.012 0.000 1.321 580 Y HN 0.550 nan 8.280 nan 0.000 0.501 581 A N 1.717 124.571 122.820 0.057 0.000 2.567 581 A HA 0.742 5.062 4.320 -0.000 0.000 0.289 581 A C -1.377 176.208 177.584 0.002 0.000 1.177 581 A CA -1.066 50.981 52.037 0.017 0.000 0.694 581 A CB 1.493 20.490 19.000 -0.004 0.000 1.292 581 A HN 0.407 nan 8.150 nan 0.000 0.425 582 D N 0.378 120.771 120.400 -0.012 0.000 2.362 582 D HA 0.305 4.945 4.640 -0.000 0.000 0.247 582 D C -0.606 175.686 176.300 -0.012 0.000 1.050 582 D CA -0.349 53.648 54.000 -0.006 0.000 0.839 582 D CB 1.639 42.434 40.800 -0.008 0.000 1.283 582 D HN 0.607 nan 8.370 nan 0.000 0.477 583 E N 0.439 120.636 120.200 -0.006 0.000 2.413 583 E HA -0.110 4.240 4.350 -0.000 0.000 0.204 583 E C 1.128 177.723 176.600 -0.008 0.000 1.275 583 E CA 0.369 56.762 56.400 -0.011 0.000 1.090 583 E CB 0.265 29.965 29.700 -0.001 0.000 1.145 583 E HN 0.325 nan 8.360 nan 0.000 0.472 584 R N -0.187 120.306 120.500 -0.012 0.000 2.493 584 R HA 0.029 4.369 4.340 -0.000 0.000 0.177 584 R C 1.720 178.009 176.300 -0.020 0.000 0.861 584 R CA -0.047 56.046 56.100 -0.012 0.000 1.083 584 R CB 0.292 30.587 30.300 -0.008 0.000 1.328 584 R HN 0.038 nan 8.270 nan 0.000 0.615 585 I N 2.372 122.925 120.570 -0.028 0.000 2.113 585 I HA -0.254 3.916 4.170 -0.000 0.000 0.238 585 I C 2.543 178.643 176.117 -0.029 0.000 1.070 585 I CA 1.230 62.508 61.300 -0.037 0.000 1.332 585 I CB -1.464 36.501 38.000 -0.060 0.000 1.044 585 I HN 0.332 nan 8.210 nan 0.000 0.402 586 L N 0.618 121.824 121.223 -0.028 0.000 1.978 586 L HA -0.287 4.052 4.340 -0.000 0.000 0.218 586 L C 2.706 179.563 176.870 -0.023 0.000 1.075 586 L CA 2.071 56.897 54.840 -0.024 0.000 0.767 586 L CB -0.201 41.841 42.059 -0.029 0.000 0.890 586 L HN 0.225 nan 8.230 nan 0.000 0.434 587 S N -0.114 115.571 115.700 -0.025 0.000 2.399 587 S HA -0.118 4.352 4.470 -0.000 0.000 0.231 587 S C 2.001 176.590 174.600 -0.018 0.000 1.022 587 S CA 1.032 59.219 58.200 -0.023 0.000 0.983 587 S CB -0.316 62.871 63.200 -0.022 0.000 0.803 587 S HN 0.666 nan 8.310 nan 0.000 0.480 588 A N 1.670 124.480 122.820 -0.017 0.000 1.898 588 A HA 0.166 4.486 4.320 -0.000 0.000 0.216 588 A C 2.300 179.876 177.584 -0.013 0.000 1.181 588 A CA 1.573 53.602 52.037 -0.014 0.000 0.620 588 A CB -1.068 17.923 19.000 -0.015 0.000 0.819 588 A HN 0.497 nan 8.150 nan 0.000 0.442 589 A N 0.238 123.051 122.820 -0.013 0.000 1.824 589 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 589 A C 1.999 179.578 177.584 -0.009 0.000 1.209 589 A CA 1.484 53.516 52.037 -0.008 0.000 0.614 589 A CB -0.866 18.131 19.000 -0.006 0.000 0.852 589 A HN 0.388 nan 8.150 nan 0.000 0.447 590 I N -0.218 120.346 120.570 -0.011 0.000 2.244 590 I HA -0.400 3.770 4.170 -0.000 0.000 0.252 590 I C 2.523 178.628 176.117 -0.020 0.000 1.062 590 I CA 2.146 63.437 61.300 -0.014 0.000 1.342 590 I CB -0.864 37.124 38.000 -0.019 0.000 1.031 590 I HN 0.433 nan 8.210 nan 0.000 0.433 591 A N -0.644 122.165 122.820 -0.018 0.000 2.081 591 A HA 0.009 4.329 4.320 -0.000 0.000 0.214 591 A C 1.291 178.864 177.584 -0.018 0.000 1.158 591 A CA 0.840 52.865 52.037 -0.019 0.000 0.724 591 A CB -0.510 18.480 19.000 -0.017 0.000 0.826 591 A HN 0.544 nan 8.150 nan 0.000 0.463 592 T N -2.369 112.177 114.554 -0.013 0.000 2.902 592 T HA 0.633 4.983 4.350 -0.000 0.000 0.280 592 T C -0.244 174.448 174.700 -0.013 0.000 0.992 592 T CA -0.740 61.354 62.100 -0.010 0.000 1.015 592 T CB 1.518 70.385 68.868 -0.002 0.000 1.044 592 T HN 0.240 nan 8.240 nan 0.000 0.520 593 R N 1.466 121.958 120.500 -0.013 0.000 2.810 593 R HA 0.284 4.624 4.340 -0.000 0.000 0.280 593 R C -0.650 175.643 176.300 -0.012 0.000 1.517 593 R CA -0.353 55.735 56.100 -0.019 0.000 1.063 593 R CB 0.631 30.909 30.300 -0.036 0.000 1.275 593 R HN 1.121 nan 8.270 nan 0.000 0.464 594 T N 1.286 115.841 114.554 0.002 0.000 2.155 594 T HA -0.220 4.130 4.350 -0.000 0.000 0.227 594 T C 0.210 174.913 174.700 0.005 0.000 1.026 594 T CA 0.668 62.776 62.100 0.015 0.000 1.465 594 T CB -0.198 68.683 68.868 0.021 0.000 1.016 594 T HN 0.547 nan 8.240 nan 0.000 0.405 595 E N 2.560 122.766 120.200 0.010 0.000 2.437 595 E HA 0.130 4.480 4.350 -0.000 0.000 0.263 595 E C 0.420 177.009 176.600 -0.018 0.000 1.030 595 E CA -0.226 56.165 56.400 -0.015 0.000 0.934 595 E CB 0.538 30.218 29.700 -0.033 0.000 0.943 595 E HN 0.527 nan 8.360 nan 0.000 0.444 596 R N 1.860 122.334 120.500 -0.044 0.000 2.412 596 R HA 0.133 4.473 4.340 -0.000 0.000 0.304 596 R C -0.532 175.727 176.300 -0.069 0.000 1.066 596 R CA -0.787 55.288 56.100 -0.041 0.000 0.923 596 R CB 0.752 31.029 30.300 -0.038 0.000 1.156 596 R HN 0.511 nan 8.270 nan 0.000 0.513 597 R N 1.665 122.107 120.500 -0.095 0.000 2.840 597 R HA 0.527 4.867 4.340 -0.000 0.000 0.282 597 R C -0.161 176.103 176.300 -0.061 0.000 1.133 597 R CA -0.155 55.862 56.100 -0.138 0.000 1.208 597 R CB 0.324 30.494 30.300 -0.217 0.000 1.160 597 R HN 0.588 nan 8.270 nan 0.000 0.576 598 S N -3.402 112.263 115.700 -0.058 0.000 3.721 598 S HA 0.139 4.609 4.470 -0.000 0.000 0.632 598 S C 0.045 174.698 174.600 0.088 0.000 0.694 598 S CA -0.317 57.903 58.200 0.033 0.000 1.112 598 S CB -1.207 62.014 63.200 0.034 0.000 0.915 598 S HN 1.429 nan 8.310 nan 0.000 0.456 599 G N 0.148 109.052 108.800 0.173 0.000 3.146 599 G HA2 0.372 4.332 3.960 -0.000 0.000 0.238 599 G HA3 0.372 4.332 3.960 -0.000 0.000 0.238 599 G C 1.141 176.056 174.900 0.025 0.000 1.022 599 G CA 0.460 45.661 45.100 0.170 0.000 0.880 599 G HN 0.761 nan 8.290 nan 0.000 0.533 600 L N 1.043 122.251 121.223 -0.024 0.000 2.013 600 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 600 L C 3.337 180.192 176.870 -0.026 0.000 1.073 600 L CA 1.506 56.249 54.840 -0.162 0.000 0.753 600 L CB -0.429 41.588 42.059 -0.069 0.000 0.890 600 L HN 0.291 nan 8.230 nan 0.000 0.432 601 A N 0.177 123.052 122.820 0.093 0.000 1.863 601 A HA -0.367 3.953 4.320 -0.000 0.000 0.218 601 A C 2.460 180.196 177.584 0.253 0.000 1.233 601 A CA 2.751 54.892 52.037 0.174 0.000 0.655 601 A CB -1.159 17.881 19.000 0.066 0.000 0.839 601 A HN 0.476 nan 8.150 nan 0.000 0.454 602 A N -1.050 121.849 122.820 0.131 0.000 1.969 602 A HA 0.063 4.383 4.320 -0.000 0.000 0.218 602 A C 2.036 179.657 177.584 0.063 0.000 1.169 602 A CA 1.368 53.472 52.037 0.111 0.000 0.635 602 A CB -0.552 18.497 19.000 0.082 0.000 0.810 602 A HN 0.509 nan 8.150 nan 0.000 0.445 603 L N -1.717 119.475 121.223 -0.052 0.000 2.633 603 L HA -0.022 4.318 4.340 -0.000 0.000 0.235 603 L C 1.399 178.162 176.870 -0.178 0.000 1.163 603 L CA 0.699 55.430 54.840 -0.181 0.000 0.859 603 L CB -0.313 41.529 42.059 -0.362 0.000 0.973 603 L HN 0.497 nan 8.230 nan 0.000 0.451 604 F N -2.558 117.442 119.950 0.085 0.000 2.706 604 F HA 0.075 4.602 4.527 -0.000 0.000 0.308 604 F C 2.141 177.905 175.800 -0.060 0.000 1.095 604 F CA -0.249 57.785 58.000 0.056 0.000 1.244 604 F CB 0.630 39.791 39.000 0.269 0.000 1.063 604 F HN -0.072 nan 8.300 nan 0.000 0.582 605 S N -0.839 114.966 115.700 0.174 0.000 2.506 605 S HA -0.079 4.391 4.470 -0.000 0.000 0.230 605 S C 1.780 176.411 174.600 0.052 0.000 1.066 605 S CA 0.801 59.048 58.200 0.078 0.000 0.940 605 S CB 0.079 63.345 63.200 0.111 0.000 0.818 605 S HN 0.477 nan 8.310 nan 0.000 0.518 606 S N 0.801 116.535 115.700 0.057 0.000 2.061 606 S HA -0.340 4.130 4.470 -0.000 0.000 0.242 606 S C 0.622 175.242 174.600 0.034 0.000 1.092 606 S CA 2.399 60.621 58.200 0.036 0.000 1.865 606 S CB -1.536 61.683 63.200 0.031 0.000 2.426 606 S HN 1.415 nan 8.310 nan 0.000 0.564 607 R N 0.000 120.517 120.500 0.029 0.000 2.786 607 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 607 R CA 0.000 nan 56.100 nan 0.000 0.921 607 R CB 0.000 nan 30.300 nan 0.000 0.687 607 R HN 0.000 nan 8.270 nan 0.000 0.535