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 1hn9_1_A DATA FIRST_RESID 1 DATA SEQUENCE MYTKIIGTGS YLPEQVRTNA DLEKMVDTSD EWIVTRTGIR ERHIAAPNET DATA SEQUENCE VSTMGFEAAT RAIEMAGIEK DQIGLIVVAT TSATHAFPSA ACQIQSMLGI DATA SEQUENCE KGCPAFDVAA ACAGFTYALS VADQYVKSGA VKYALVVGSD VLARTCDPTD DATA SEQUENCE RGTIIIFGDG AGAAVLAASE EPGIISTHLH ADGSYGELLT LPNADRVNPE DATA SEQUENCE NSIHLTMAGN EVFKVAVTEL AHIVDETLAA NNLDRSQLDW LVPHQANLRI DATA SEQUENCE ISATAKKLGM SMDNVVVTLD RHGNTSAASV PCALDEAVRD GRIKPGQLVL DATA SEQUENCE LEAFGGGFTW GSALVRF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.010 176.300 -0.483 0.000 1.140 1 M CA 0.000 55.160 55.300 -0.234 0.000 0.988 1 M CB 0.000 32.522 32.600 -0.129 0.000 1.302 2 Y N -1.180 119.096 120.300 -0.041 0.000 2.693 2 Y HA 0.833 5.383 4.550 0.001 0.000 0.331 2 Y C -0.202 175.669 175.900 -0.048 0.000 1.092 2 Y CA -0.658 57.415 58.100 -0.045 0.000 1.131 2 Y CB 2.345 40.779 38.460 -0.043 0.000 1.318 2 Y HN 0.549 nan 8.280 nan 0.000 0.510 3 T N 1.619 116.253 114.554 0.135 0.000 2.807 3 T HA 0.449 4.799 4.350 0.000 0.000 0.279 3 T C -0.932 173.780 174.700 0.021 0.000 0.993 3 T CA -1.031 61.098 62.100 0.048 0.000 0.970 3 T CB 0.867 69.748 68.868 0.021 0.000 0.950 3 T HN 0.290 nan 8.240 nan 0.000 0.441 4 K N 2.275 122.676 120.400 0.001 0.000 2.259 4 K HA 0.556 4.876 4.320 0.000 0.000 0.252 4 K C -0.593 175.989 176.600 -0.031 0.000 0.936 4 K CA -0.801 55.456 56.287 -0.050 0.000 0.810 4 K CB 2.062 34.546 32.500 -0.028 0.000 1.143 4 K HN 0.511 nan 8.250 nan 0.000 0.427 5 I N 5.239 125.747 120.570 -0.104 0.000 2.291 5 I HA 0.091 4.261 4.170 0.000 0.000 0.292 5 I C 1.196 177.364 176.117 0.085 0.000 1.064 5 I CA 0.048 61.357 61.300 0.014 0.000 1.269 5 I CB 0.406 38.430 38.000 0.040 0.000 1.418 5 I HN 0.625 nan 8.210 nan 0.000 0.485 6 I N 2.560 123.196 120.570 0.110 0.000 3.956 6 I HA 0.504 4.674 4.170 0.000 0.000 0.333 6 I C 0.661 176.843 176.117 0.107 0.000 1.302 6 I CA -0.119 61.251 61.300 0.116 0.000 1.122 6 I CB 0.371 38.440 38.000 0.116 0.000 1.013 6 I HN 0.475 nan 8.210 nan 0.000 0.405 7 G N 1.007 109.874 108.800 0.112 0.000 2.759 7 G HA2 0.570 4.531 3.960 0.000 0.000 0.297 7 G HA3 0.570 4.531 3.960 0.000 0.000 0.297 7 G C -0.989 173.965 174.900 0.089 0.000 1.434 7 G CA -0.150 44.998 45.100 0.080 0.000 0.980 7 G HN 0.188 nan 8.290 nan 0.000 0.531 8 T N -1.449 113.140 114.554 0.059 0.000 2.903 8 T HA 0.908 5.258 4.350 0.000 0.000 0.299 8 T C 0.014 174.717 174.700 0.005 0.000 1.093 8 T CA -0.348 61.778 62.100 0.044 0.000 1.002 8 T CB 2.330 71.218 68.868 0.033 0.000 1.127 8 T HN 1.758 nan 8.240 nan 0.000 0.488 9 G N 0.216 109.013 108.800 -0.006 0.000 2.677 9 G HA2 0.734 4.694 3.960 0.000 0.000 0.291 9 G HA3 0.734 4.694 3.960 0.000 0.000 0.291 9 G C -1.104 173.782 174.900 -0.023 0.000 1.435 9 G CA -0.409 44.679 45.100 -0.020 0.000 0.826 9 G HN 1.605 nan 8.290 nan 0.000 0.491 10 S N -1.157 114.533 115.700 -0.016 0.000 2.587 10 S HA 0.746 5.216 4.470 0.000 0.000 0.269 10 S C -1.901 172.721 174.600 0.038 0.000 1.154 10 S CA -0.865 57.328 58.200 -0.012 0.000 0.824 10 S CB 1.986 65.154 63.200 -0.053 0.000 1.118 10 S HN 1.903 nan 8.310 nan 0.000 0.462 11 Y N 1.582 121.809 120.300 -0.123 0.000 2.401 11 Y HA 0.661 5.211 4.550 0.000 0.000 0.330 11 Y C -2.273 173.510 175.900 -0.194 0.000 1.071 11 Y CA -1.059 56.960 58.100 -0.135 0.000 1.049 11 Y CB 1.225 39.631 38.460 -0.090 0.000 1.239 11 Y HN 0.832 nan 8.280 nan 0.000 0.437 12 L N 8.079 128.643 121.223 -1.099 0.000 2.341 12 L HA 0.547 4.887 4.340 0.000 0.000 0.278 12 L C -2.382 173.792 176.870 -1.159 0.000 1.005 12 L CA -2.141 52.050 54.840 -1.082 0.000 0.818 12 L CB 1.341 42.559 42.059 -1.403 0.000 1.259 12 L HN 0.596 nan 8.230 nan 0.000 0.418 13 P HA 0.009 nan 4.420 nan 0.000 0.269 13 P C 0.810 178.096 177.300 -0.023 0.000 1.211 13 P CA 0.052 63.025 63.100 -0.213 0.000 0.781 13 P CB 1.127 32.840 31.700 0.022 0.000 0.877 14 E N 1.314 121.543 120.200 0.048 0.000 2.072 14 E HA -0.199 4.151 4.350 0.000 0.000 0.191 14 E C 0.681 177.312 176.600 0.051 0.000 0.985 14 E CA 0.526 56.966 56.400 0.067 0.000 0.801 14 E CB 0.079 29.822 29.700 0.071 0.000 0.750 14 E HN 0.452 nan 8.360 nan 0.000 0.452 15 Q N 1.060 120.884 119.800 0.039 0.000 2.337 15 Q HA 0.134 4.474 4.340 0.000 0.000 0.270 15 Q C -1.244 174.721 176.000 -0.059 0.000 1.002 15 Q CA -0.160 55.643 55.803 0.001 0.000 0.888 15 Q CB 1.108 29.854 28.738 0.014 0.000 1.222 15 Q HN 0.010 nan 8.270 nan 0.000 0.400 16 V N 4.871 124.723 119.914 -0.104 0.000 2.555 16 V HA 0.423 4.543 4.120 0.000 0.000 0.302 16 V C -0.389 175.639 176.094 -0.110 0.000 1.038 16 V CA -0.726 61.456 62.300 -0.196 0.000 0.887 16 V CB 1.819 33.493 31.823 -0.248 0.000 0.991 16 V HN 0.776 nan 8.190 nan 0.000 0.434 17 R N 2.776 123.215 120.500 -0.101 0.000 2.239 17 R HA 0.500 4.840 4.340 0.000 0.000 0.332 17 R C 0.191 176.461 176.300 -0.049 0.000 0.988 17 R CA -0.232 55.839 56.100 -0.048 0.000 0.859 17 R CB 1.023 31.313 30.300 -0.016 0.000 1.148 17 R HN 0.950 nan 8.270 nan 0.000 0.482 18 T N 0.638 115.168 114.554 -0.039 0.000 2.847 18 T HA 0.166 4.516 4.350 0.000 0.000 0.279 18 T C 0.991 175.685 174.700 -0.011 0.000 0.984 18 T CA -0.813 61.269 62.100 -0.031 0.000 0.988 18 T CB 1.005 69.856 68.868 -0.028 0.000 1.040 18 T HN 0.451 nan 8.240 nan 0.000 0.528 19 N N 0.424 119.121 118.700 -0.004 0.000 2.309 19 N HA 0.004 4.744 4.740 0.000 0.000 0.182 19 N C 2.076 177.595 175.510 0.015 0.000 1.018 19 N CA 1.230 54.288 53.050 0.013 0.000 0.876 19 N CB -0.878 37.620 38.487 0.018 0.000 0.972 19 N HN 0.806 nan 8.380 nan 0.000 0.434 20 A N 0.963 123.786 122.820 0.005 0.000 1.930 20 A HA -0.120 4.200 4.320 0.000 0.000 0.217 20 A C 1.775 179.361 177.584 0.003 0.000 1.175 20 A CA 1.323 53.363 52.037 0.004 0.000 0.627 20 A CB -0.254 18.745 19.000 -0.001 0.000 0.815 20 A HN 0.084 nan 8.150 nan 0.000 0.443 21 D N 0.192 120.593 120.400 0.000 0.000 2.097 21 D HA -0.114 4.527 4.640 0.000 0.000 0.195 21 D C 1.923 178.227 176.300 0.006 0.000 0.989 21 D CA 1.100 55.101 54.000 0.001 0.000 0.827 21 D CB -0.346 40.452 40.800 -0.004 0.000 0.966 21 D HN 0.439 nan 8.370 nan 0.000 0.456 22 L N 0.877 122.108 121.223 0.013 0.000 2.131 22 L HA -0.152 4.189 4.340 0.000 0.000 0.210 22 L C 2.282 179.162 176.870 0.016 0.000 1.092 22 L CA 1.012 55.864 54.840 0.020 0.000 0.759 22 L CB -0.316 41.764 42.059 0.036 0.000 0.903 22 L HN 0.007 nan 8.230 nan 0.000 0.435 23 E N -0.013 120.196 120.200 0.015 0.000 2.160 23 E HA -0.278 4.073 4.350 0.000 0.000 0.195 23 E C 1.993 178.591 176.600 -0.003 0.000 0.991 23 E CA 1.097 57.502 56.400 0.007 0.000 0.810 23 E CB 0.011 29.716 29.700 0.008 0.000 0.742 23 E HN 0.316 nan 8.360 nan 0.000 0.466 24 K N -0.232 120.167 120.400 -0.001 0.000 2.426 24 K HA 0.040 4.360 4.320 0.000 0.000 0.193 24 K C 1.590 178.187 176.600 -0.004 0.000 1.028 24 K CA 0.276 56.560 56.287 -0.004 0.000 1.047 24 K CB 0.300 32.798 32.500 -0.002 0.000 0.821 24 K HN 0.070 nan 8.250 nan 0.000 0.513 25 M N -0.002 119.596 119.600 -0.002 0.000 2.657 25 M HA 0.074 4.554 4.480 0.000 0.000 0.262 25 M C 0.181 176.476 176.300 -0.009 0.000 1.213 25 M CA 0.044 55.342 55.300 -0.003 0.000 1.182 25 M CB 1.190 33.793 32.600 0.004 0.000 1.303 25 M HN -0.105 nan 8.290 nan 0.000 0.501 26 V N -3.545 116.362 119.914 -0.012 0.000 3.159 26 V HA 0.473 4.593 4.120 0.000 0.000 0.308 26 V C -1.310 174.756 176.094 -0.047 0.000 1.190 26 V CA -1.293 60.991 62.300 -0.027 0.000 1.037 26 V CB 1.699 33.511 31.823 -0.018 0.000 1.060 26 V HN 0.025 nan 8.190 nan 0.000 0.437 27 D N 1.640 121.994 120.400 -0.076 0.000 2.441 27 D HA 0.502 5.142 4.640 0.000 0.000 0.243 27 D C -0.114 176.086 176.300 -0.168 0.000 1.257 27 D CA 1.091 55.026 54.000 -0.109 0.000 1.027 27 D CB -0.182 40.545 40.800 -0.122 0.000 1.084 27 D HN 1.012 nan 8.370 nan 0.000 0.514 28 T N 0.806 115.291 114.554 -0.115 0.000 2.739 28 T HA 0.607 4.957 4.350 0.000 0.000 0.303 28 T C -1.509 173.186 174.700 -0.008 0.000 1.389 28 T CA -0.556 61.478 62.100 -0.111 0.000 1.001 28 T CB 0.914 69.769 68.868 -0.022 0.000 1.436 28 T HN 0.237 nan 8.240 nan 0.000 0.500 29 S N 0.625 116.374 115.700 0.082 0.000 2.570 29 S HA 0.466 4.936 4.470 0.000 0.000 0.286 29 S C 0.581 175.264 174.600 0.140 0.000 1.099 29 S CA -0.324 57.933 58.200 0.094 0.000 0.913 29 S CB 1.752 65.002 63.200 0.084 0.000 1.085 29 S HN 0.808 nan 8.310 nan 0.000 0.480 30 D N 1.097 121.547 120.400 0.082 0.000 2.116 30 D HA -0.261 4.379 4.640 0.000 0.000 0.193 30 D C 1.577 177.916 176.300 0.065 0.000 0.998 30 D CA 2.238 56.275 54.000 0.061 0.000 0.836 30 D CB -0.152 40.666 40.800 0.031 0.000 0.951 30 D HN 0.805 nan 8.370 nan 0.000 0.449 31 E N -1.221 119.023 120.200 0.072 0.000 2.058 31 E HA -0.218 4.133 4.350 0.000 0.000 0.194 31 E C 2.025 178.672 176.600 0.078 0.000 0.997 31 E CA 1.243 57.678 56.400 0.059 0.000 0.801 31 E CB -0.513 29.225 29.700 0.063 0.000 0.746 31 E HN 0.570 nan 8.360 nan 0.000 0.450 32 W N 1.006 122.289 121.300 -0.029 0.000 2.388 32 W HA -0.073 4.587 4.660 0.001 0.000 0.294 32 W C 1.878 178.374 176.519 -0.039 0.000 1.212 32 W CA 1.447 58.771 57.345 -0.034 0.000 1.271 32 W CB -0.129 29.312 29.460 -0.031 0.000 1.126 32 W HN 0.067 nan 8.180 nan 0.000 0.535 33 I N -0.287 120.370 120.570 0.145 0.000 2.179 33 I HA -0.336 3.834 4.170 0.000 0.000 0.242 33 I C 2.158 178.168 176.117 -0.178 0.000 1.088 33 I CA 1.445 62.732 61.300 -0.023 0.000 1.357 33 I CB -1.073 36.981 38.000 0.089 0.000 1.051 33 I HN -0.198 nan 8.210 nan 0.000 0.409 34 V N 0.939 120.787 119.914 -0.110 0.000 2.295 34 V HA -0.292 3.828 4.120 0.000 0.000 0.246 34 V C 2.747 178.731 176.094 -0.182 0.000 1.049 34 V CA 2.562 64.790 62.300 -0.121 0.000 1.024 34 V CB -1.302 30.479 31.823 -0.071 0.000 0.648 34 V HN 0.655 nan 8.190 nan 0.000 0.447 35 T N -0.703 113.719 114.554 -0.220 0.000 2.867 35 T HA -0.171 4.179 4.350 0.000 0.000 0.268 35 T C 2.048 176.535 174.700 -0.355 0.000 1.057 35 T CA 1.889 63.840 62.100 -0.248 0.000 1.136 35 T CB -0.412 68.328 68.868 -0.213 0.000 0.874 35 T HN 0.514 nan 8.240 nan 0.000 0.466 36 R N 1.074 121.238 120.500 -0.560 0.000 2.140 36 R HA 0.216 4.556 4.340 0.000 0.000 0.213 36 R C 2.616 178.675 176.300 -0.403 0.000 1.059 36 R CA 1.723 57.457 56.100 -0.610 0.000 1.000 36 R CB -1.342 28.297 30.300 -1.102 0.000 0.910 36 R HN 0.806 nan 8.270 nan 0.000 0.455 37 T N -6.032 108.326 114.554 -0.326 0.000 2.964 37 T HA 0.359 4.710 4.350 0.000 0.000 0.249 37 T C 1.811 176.417 174.700 -0.156 0.000 1.000 37 T CA 1.224 63.195 62.100 -0.216 0.000 0.992 37 T CB 0.647 69.403 68.868 -0.186 0.000 1.087 37 T HN 1.428 nan 8.240 nan 0.000 0.489 38 G N 1.715 110.426 108.800 -0.148 0.000 2.176 38 G HA2 -0.175 3.786 3.960 0.000 0.000 0.253 38 G HA3 -0.175 3.786 3.960 0.000 0.000 0.253 38 G C -0.015 174.831 174.900 -0.091 0.000 0.979 38 G CA 0.165 45.199 45.100 -0.110 0.000 0.641 38 G HN 0.696 nan 8.290 nan 0.000 0.530 39 I N -0.083 120.432 120.570 -0.092 0.000 2.385 39 I HA 0.489 4.659 4.170 0.000 0.000 0.294 39 I C 1.430 177.518 176.117 -0.049 0.000 0.988 39 I CA -0.758 60.502 61.300 -0.067 0.000 1.265 39 I CB 1.442 39.400 38.000 -0.069 0.000 1.388 39 I HN 0.040 nan 8.210 nan 0.000 0.480 40 R N 2.988 123.466 120.500 -0.036 0.000 2.276 40 R HA 0.302 4.643 4.340 0.000 0.000 0.195 40 R C -0.209 176.074 176.300 -0.029 0.000 0.908 40 R CA 0.073 56.156 56.100 -0.029 0.000 1.083 40 R CB 0.748 31.031 30.300 -0.028 0.000 1.182 40 R HN 0.612 nan 8.270 nan 0.000 0.608 41 E N 0.787 120.968 120.200 -0.032 0.000 2.356 41 E HA 0.420 4.770 4.350 0.000 0.000 0.275 41 E C -1.294 175.276 176.600 -0.050 0.000 0.904 41 E CA -0.803 55.560 56.400 -0.061 0.000 0.757 41 E CB 2.598 32.239 29.700 -0.097 0.000 1.232 41 E HN -0.081 nan 8.360 nan 0.000 0.442 42 R N 0.677 121.126 120.500 -0.085 0.000 2.725 42 R HA 0.465 4.806 4.340 0.000 0.000 0.277 42 R C -1.208 175.014 176.300 -0.129 0.000 0.987 42 R CA -0.866 55.219 56.100 -0.026 0.000 0.901 42 R CB 1.011 31.331 30.300 0.034 0.000 1.207 42 R HN 0.442 nan 8.270 nan 0.000 0.463 43 H N 1.470 120.518 119.070 -0.035 0.000 2.525 43 H HA 0.404 4.960 4.556 0.000 0.000 0.339 43 H C -0.153 175.159 175.328 -0.026 0.000 1.109 43 H CA -0.130 55.880 56.048 -0.064 0.000 1.352 43 H CB 0.928 30.598 29.762 -0.153 0.000 1.461 43 H HN 0.227 nan 8.280 nan 0.000 0.533 44 I N 1.991 122.606 120.570 0.075 0.000 2.410 44 I HA 0.294 4.464 4.170 0.000 0.000 0.286 44 I C 0.359 176.519 176.117 0.071 0.000 1.009 44 I CA -0.892 60.446 61.300 0.064 0.000 1.111 44 I CB 0.900 38.923 38.000 0.038 0.000 1.262 44 I HN 0.669 nan 8.210 nan 0.000 0.443 45 A N 4.991 127.859 122.820 0.080 0.000 2.540 45 A HA 0.504 4.825 4.320 0.000 0.000 0.239 45 A C 0.789 178.421 177.584 0.081 0.000 1.061 45 A CA 0.087 52.181 52.037 0.095 0.000 0.758 45 A CB 0.174 19.234 19.000 0.099 0.000 0.991 45 A HN 0.909 nan 8.150 nan 0.000 0.502 46 A N 3.916 126.791 122.820 0.091 0.000 2.346 46 A HA 0.532 4.853 4.320 0.000 0.000 0.252 46 A C -1.093 176.527 177.584 0.060 0.000 1.089 46 A CA -0.954 51.125 52.037 0.070 0.000 0.797 46 A CB -0.434 18.611 19.000 0.074 0.000 1.047 46 A HN 0.615 nan 8.150 nan 0.000 0.494 47 P HA -0.199 nan 4.420 nan 0.000 0.217 47 P C 0.751 178.074 177.300 0.038 0.000 1.151 47 P CA 2.076 65.199 63.100 0.038 0.000 0.849 47 P CB -0.158 31.560 31.700 0.031 0.000 0.787 48 N N -1.773 116.951 118.700 0.041 0.000 2.398 48 N HA -0.000 4.740 4.740 0.000 0.000 0.188 48 N C 0.205 175.742 175.510 0.045 0.000 1.122 48 N CA -0.016 53.056 53.050 0.037 0.000 0.866 48 N CB -0.133 38.373 38.487 0.031 0.000 0.970 48 N HN 0.158 nan 8.380 nan 0.000 0.462 49 E N 0.617 120.853 120.200 0.060 0.000 2.214 49 E HA 0.280 4.630 4.350 0.000 0.000 0.274 49 E C -0.346 176.298 176.600 0.073 0.000 0.977 49 E CA -0.703 55.742 56.400 0.075 0.000 0.827 49 E CB 1.730 31.500 29.700 0.117 0.000 1.130 49 E HN 0.344 nan 8.360 nan 0.000 0.394 50 T N -2.586 112.013 114.554 0.075 0.000 2.804 50 T HA 0.204 4.554 4.350 0.000 0.000 0.290 50 T C 0.891 175.642 174.700 0.086 0.000 1.099 50 T CA -0.760 61.385 62.100 0.074 0.000 1.011 50 T CB 0.838 69.746 68.868 0.067 0.000 1.291 50 T HN 0.116 nan 8.240 nan 0.000 0.523 51 V N 1.241 121.204 119.914 0.081 0.000 2.392 51 V HA -0.161 3.959 4.120 0.000 0.000 0.249 51 V C 2.820 178.968 176.094 0.090 0.000 1.059 51 V CA 2.699 65.051 62.300 0.087 0.000 1.051 51 V CB -1.001 30.868 31.823 0.077 0.000 0.658 51 V HN 0.987 nan 8.190 nan 0.000 0.455 52 S N -0.281 115.467 115.700 0.079 0.000 2.377 52 S HA -0.160 4.311 4.470 0.000 0.000 0.223 52 S C 2.171 176.824 174.600 0.089 0.000 1.030 52 S CA 1.641 59.885 58.200 0.073 0.000 0.970 52 S CB -0.375 62.851 63.200 0.043 0.000 0.830 52 S HN 0.872 nan 8.310 nan 0.000 0.473 53 T N 1.128 115.724 114.554 0.071 0.000 2.777 53 T HA -0.013 4.337 4.350 0.000 0.000 0.266 53 T C 1.811 176.555 174.700 0.074 0.000 1.040 53 T CA 1.060 63.206 62.100 0.078 0.000 1.141 53 T CB -0.505 68.384 68.868 0.035 0.000 0.868 53 T HN 0.241 nan 8.240 nan 0.000 0.444 54 M N 1.042 120.690 119.600 0.080 0.000 2.132 54 M HA 0.102 4.582 4.480 0.000 0.000 0.263 54 M C 2.869 179.230 176.300 0.102 0.000 1.065 54 M CA 1.779 57.148 55.300 0.115 0.000 1.122 54 M CB -0.844 31.902 32.600 0.244 0.000 1.365 54 M HN 0.529 nan 8.290 nan 0.000 0.411 55 G N -0.202 108.667 108.800 0.115 0.000 2.432 55 G HA2 -0.238 3.722 3.960 0.000 0.000 0.219 55 G HA3 -0.238 3.722 3.960 0.000 0.000 0.219 55 G C 1.313 176.280 174.900 0.112 0.000 1.135 55 G CA 0.329 45.492 45.100 0.107 0.000 0.767 55 G HN 0.404 nan 8.290 nan 0.000 0.550 56 F N 1.742 121.676 119.950 -0.026 0.000 2.146 56 F HA 0.005 4.532 4.527 0.001 0.000 0.298 56 F C 2.407 178.168 175.800 -0.066 0.000 1.096 56 F CA 1.745 59.719 58.000 -0.043 0.000 1.275 56 F CB -0.197 38.770 39.000 -0.055 0.000 1.008 56 F HN 0.222 nan 8.300 nan 0.000 0.480 57 E N 0.823 120.861 120.200 -0.270 0.000 2.031 57 E HA -0.147 4.203 4.350 0.000 0.000 0.193 57 E C 2.271 178.733 176.600 -0.230 0.000 0.994 57 E CA 1.710 57.873 56.400 -0.396 0.000 0.800 57 E CB -0.818 28.596 29.700 -0.478 0.000 0.752 57 E HN 0.383 nan 8.360 nan 0.000 0.447 58 A N 0.876 123.649 122.820 -0.079 0.000 1.883 58 A HA -0.137 4.183 4.320 0.000 0.000 0.217 58 A C 2.470 180.019 177.584 -0.058 0.000 1.186 58 A CA 2.584 54.607 52.037 -0.023 0.000 0.624 58 A CB -1.183 17.835 19.000 0.030 0.000 0.822 58 A HN 0.396 nan 8.150 nan 0.000 0.444 59 A N -0.361 122.419 122.820 -0.067 0.000 1.902 59 A HA -0.108 4.212 4.320 0.000 0.000 0.217 59 A C 2.451 179.961 177.584 -0.123 0.000 1.181 59 A CA 2.617 54.621 52.037 -0.055 0.000 0.623 59 A CB -1.477 17.523 19.000 -0.002 0.000 0.818 59 A HN 0.826 nan 8.150 nan 0.000 0.443 60 T N -1.943 112.450 114.554 -0.267 0.000 2.788 60 T HA -0.159 4.192 4.350 0.000 0.000 0.268 60 T C 1.929 176.527 174.700 -0.170 0.000 1.044 60 T CA 1.379 63.311 62.100 -0.280 0.000 1.139 60 T CB -0.361 68.212 68.868 -0.491 0.000 0.867 60 T HN 0.532 nan 8.240 nan 0.000 0.454 61 R N 1.160 121.572 120.500 -0.146 0.000 2.092 61 R HA 0.242 4.582 4.340 0.000 0.000 0.231 61 R C 3.006 179.273 176.300 -0.056 0.000 1.119 61 R CA 1.154 57.202 56.100 -0.087 0.000 0.970 61 R CB -0.607 29.654 30.300 -0.065 0.000 0.864 61 R HN 0.527 nan 8.270 nan 0.000 0.440 62 A N 1.107 123.901 122.820 -0.043 0.000 1.930 62 A HA -0.116 4.205 4.320 0.000 0.000 0.217 62 A C 2.111 179.681 177.584 -0.022 0.000 1.175 62 A CA 1.121 53.150 52.037 -0.013 0.000 0.627 62 A CB -0.402 18.608 19.000 0.016 0.000 0.815 62 A HN 0.167 nan 8.150 nan 0.000 0.443 63 I N -0.462 120.081 120.570 -0.045 0.000 2.226 63 I HA -0.262 3.908 4.170 0.000 0.000 0.245 63 I C 2.465 178.546 176.117 -0.060 0.000 1.100 63 I CA 1.528 62.793 61.300 -0.059 0.000 1.374 63 I CB -0.407 37.551 38.000 -0.069 0.000 1.057 63 I HN 0.409 nan 8.210 nan 0.000 0.413 64 E N 0.489 120.653 120.200 -0.059 0.000 2.033 64 E HA -0.319 4.031 4.350 0.000 0.000 0.199 64 E C 2.238 178.817 176.600 -0.035 0.000 1.011 64 E CA 1.866 58.236 56.400 -0.050 0.000 0.815 64 E CB -0.210 29.459 29.700 -0.051 0.000 0.755 64 E HN 0.424 nan 8.360 nan 0.000 0.451 65 M N 0.289 119.873 119.600 -0.026 0.000 2.117 65 M HA -0.156 4.324 4.480 0.000 0.000 0.262 65 M C 2.227 178.525 176.300 -0.003 0.000 1.065 65 M CA 1.692 56.986 55.300 -0.010 0.000 1.114 65 M CB -0.044 32.556 32.600 -0.000 0.000 1.361 65 M HN 0.158 nan 8.290 nan 0.000 0.408 66 A N -0.150 122.664 122.820 -0.010 0.000 2.019 66 A HA 0.082 4.402 4.320 0.000 0.000 0.219 66 A C 1.727 179.290 177.584 -0.035 0.000 1.164 66 A CA 1.373 53.403 52.037 -0.011 0.000 0.644 66 A CB -1.224 17.757 19.000 -0.033 0.000 0.805 66 A HN 0.849 nan 8.150 nan 0.000 0.449 67 G N -0.812 107.958 108.800 -0.049 0.000 2.160 67 G HA2 -0.245 3.715 3.960 0.000 0.000 0.251 67 G HA3 -0.245 3.715 3.960 0.000 0.000 0.251 67 G C 0.190 175.035 174.900 -0.091 0.000 1.008 67 G CA 0.527 45.596 45.100 -0.052 0.000 0.724 67 G HN 1.416 nan 8.290 nan 0.000 0.514 68 I N -3.893 116.585 120.570 -0.154 0.000 2.947 68 I HA 0.862 5.032 4.170 0.000 0.000 0.314 68 I C -0.032 175.982 176.117 -0.171 0.000 1.028 68 I CA -1.510 59.644 61.300 -0.243 0.000 1.077 68 I CB 1.297 38.968 38.000 -0.548 0.000 1.274 68 I HN -0.145 nan 8.210 nan 0.000 0.485 69 E N 2.522 122.628 120.200 -0.157 0.000 2.259 69 E HA 0.100 4.450 4.350 0.000 0.000 0.281 69 E C 0.401 176.947 176.600 -0.091 0.000 1.027 69 E CA -0.367 55.978 56.400 -0.091 0.000 0.838 69 E CB 1.765 31.432 29.700 -0.055 0.000 1.066 69 E HN 0.692 nan 8.360 nan 0.000 0.401 70 K N 2.052 122.420 120.400 -0.054 0.000 2.218 70 K HA -0.206 4.114 4.320 0.000 0.000 0.205 70 K C 0.681 177.271 176.600 -0.015 0.000 1.046 70 K CA 1.779 58.047 56.287 -0.032 0.000 0.933 70 K CB 0.011 32.511 32.500 0.000 0.000 0.728 70 K HN 0.272 nan 8.250 nan 0.000 0.454 71 D N 1.042 121.436 120.400 -0.010 0.000 2.378 71 D HA -0.131 4.509 4.640 0.000 0.000 0.227 71 D C 1.270 177.581 176.300 0.018 0.000 1.012 71 D CA 0.713 54.716 54.000 0.006 0.000 0.905 71 D CB 0.017 40.821 40.800 0.008 0.000 0.895 71 D HN 0.473 nan 8.370 nan 0.000 0.532 72 Q N -0.215 119.587 119.800 0.004 0.000 2.392 72 Q HA 0.224 4.564 4.340 0.000 0.000 0.203 72 Q C 0.518 176.595 176.000 0.128 0.000 0.917 72 Q CA -0.128 55.714 55.803 0.064 0.000 0.939 72 Q CB 0.702 29.442 28.738 0.002 0.000 1.063 72 Q HN 0.377 nan 8.270 nan 0.000 0.516 73 I N 0.877 121.483 120.570 0.060 0.000 2.598 73 I HA -0.033 4.137 4.170 0.000 0.000 0.284 73 I C 1.121 177.285 176.117 0.078 0.000 1.140 73 I CA 0.238 61.589 61.300 0.086 0.000 1.420 73 I CB 0.943 38.966 38.000 0.037 0.000 1.387 73 I HN 0.137 nan 8.210 nan 0.000 0.553 74 G N 6.867 115.718 108.800 0.086 0.000 3.277 74 G HA2 0.387 4.347 3.960 0.000 0.000 0.243 74 G HA3 0.387 4.347 3.960 0.000 0.000 0.243 74 G C -0.312 174.582 174.900 -0.009 0.000 1.107 74 G CA 0.127 45.250 45.100 0.038 0.000 0.771 74 G HN 0.404 nan 8.290 nan 0.000 0.544 75 L N 0.162 121.377 121.223 -0.013 0.000 2.643 75 L HA 0.578 4.918 4.340 0.000 0.000 0.257 75 L C -1.975 174.858 176.870 -0.061 0.000 0.922 75 L CA -0.734 54.066 54.840 -0.066 0.000 0.909 75 L CB 1.740 43.721 42.059 -0.130 0.000 1.424 75 L HN -0.022 nan 8.230 nan 0.000 0.422 76 I N 5.250 125.766 120.570 -0.091 0.000 2.447 76 I HA 0.625 4.796 4.170 0.000 0.000 0.287 76 I C -1.047 174.910 176.117 -0.266 0.000 1.023 76 I CA -0.927 60.308 61.300 -0.108 0.000 1.083 76 I CB 2.078 40.050 38.000 -0.048 0.000 1.245 76 I HN 0.294 nan 8.210 nan 0.000 0.434 77 V N 6.983 126.717 119.914 -0.300 0.000 2.483 77 V HA 0.428 4.548 4.120 0.000 0.000 0.297 77 V C -0.260 175.690 176.094 -0.240 0.000 1.027 77 V CA -0.696 61.302 62.300 -0.503 0.000 0.855 77 V CB 2.240 33.747 31.823 -0.527 0.000 0.995 77 V HN 0.392 nan 8.190 nan 0.000 0.424 78 V N 3.956 123.753 119.914 -0.195 0.000 2.384 78 V HA 0.711 4.832 4.120 0.000 0.000 0.287 78 V C 0.466 176.556 176.094 -0.007 0.000 1.020 78 V CA -0.564 61.711 62.300 -0.042 0.000 0.850 78 V CB 1.793 33.618 31.823 0.003 0.000 0.987 78 V HN 0.976 nan 8.190 nan 0.000 0.436 79 A N 3.781 126.635 122.820 0.057 0.000 2.269 79 A HA 0.761 5.081 4.320 0.000 0.000 0.302 79 A C 0.089 177.731 177.584 0.097 0.000 1.266 79 A CA -0.129 51.958 52.037 0.083 0.000 0.894 79 A CB 0.748 19.833 19.000 0.142 0.000 1.147 79 A HN 0.833 nan 8.150 nan 0.000 0.537 80 T N 0.426 115.023 114.554 0.072 0.000 2.886 80 T HA 0.547 4.898 4.350 0.000 0.000 0.330 80 T C 0.050 174.780 174.700 0.049 0.000 1.488 80 T CA 0.310 62.452 62.100 0.069 0.000 1.054 80 T CB 1.270 70.180 68.868 0.070 0.000 1.348 80 T HN 1.050 nan 8.240 nan 0.000 0.489 81 T N -0.460 114.118 114.554 0.040 0.000 3.337 81 T HA 0.322 4.672 4.350 0.000 0.000 0.299 81 T C 0.583 175.292 174.700 0.015 0.000 0.998 81 T CA 0.242 62.356 62.100 0.023 0.000 0.948 81 T CB -0.308 68.566 68.868 0.009 0.000 1.170 81 T HN 0.693 nan 8.240 nan 0.000 0.508 82 S N -0.147 115.568 115.700 0.025 0.000 3.073 82 S HA 0.703 5.173 4.470 0.000 0.000 0.252 82 S C 0.604 175.221 174.600 0.027 0.000 0.953 82 S CA -0.336 57.875 58.200 0.017 0.000 1.105 82 S CB -0.017 63.191 63.200 0.015 0.000 1.070 82 S HN 0.697 nan 8.310 nan 0.000 0.574 83 A N 1.903 124.746 122.820 0.038 0.000 2.386 83 A HA 0.550 4.870 4.320 0.000 0.000 0.246 83 A C 1.666 179.269 177.584 0.033 0.000 1.089 83 A CA 0.288 52.358 52.037 0.055 0.000 0.790 83 A CB -0.040 19.006 19.000 0.076 0.000 1.042 83 A HN 0.681 nan 8.150 nan 0.000 0.497 84 T N -1.289 113.302 114.554 0.062 0.000 2.904 84 T HA 0.042 4.392 4.350 0.000 0.000 0.267 84 T C 0.461 175.022 174.700 -0.232 0.000 1.059 84 T CA 1.604 63.686 62.100 -0.031 0.000 1.137 84 T CB -0.415 68.498 68.868 0.074 0.000 0.879 84 T HN 0.705 nan 8.240 nan 0.000 0.467 85 H N -0.935 118.119 119.070 -0.026 0.000 2.637 85 H HA 0.774 5.330 4.556 0.000 0.000 0.363 85 H C 0.925 176.227 175.328 -0.044 0.000 1.131 85 H CA -0.327 55.683 56.048 -0.063 0.000 1.183 85 H CB 1.732 31.459 29.762 -0.059 0.000 1.637 85 H HN 0.092 nan 8.280 nan 0.000 0.531 86 A N 2.818 125.634 122.820 -0.007 0.000 1.930 86 A HA 0.065 4.385 4.320 0.000 0.000 0.217 86 A C 0.139 177.829 177.584 0.177 0.000 1.175 86 A CA 1.309 53.363 52.037 0.029 0.000 0.627 86 A CB -0.454 18.513 19.000 -0.054 0.000 0.815 86 A HN 0.575 nan 8.150 nan 0.000 0.443 87 F N -2.607 117.407 119.950 0.107 0.000 2.615 87 F HA 0.655 5.182 4.527 0.000 0.000 0.312 87 F C -3.084 172.756 175.800 0.066 0.000 1.119 87 F CA -2.799 55.245 58.000 0.073 0.000 0.979 87 F CB 0.787 39.813 39.000 0.044 0.000 1.266 87 F HN -0.159 nan 8.300 nan 0.000 0.444 88 P HA 0.138 nan 4.420 nan 0.000 0.269 88 P C -0.249 177.135 177.300 0.140 0.000 1.209 88 P CA -0.138 63.058 63.100 0.160 0.000 0.776 88 P CB 1.465 33.178 31.700 0.021 0.000 0.876 89 S N 1.209 116.996 115.700 0.146 0.000 2.589 89 S HA 0.263 4.733 4.470 0.000 0.000 0.265 89 S C 1.554 176.205 174.600 0.086 0.000 1.342 89 S CA -0.082 58.196 58.200 0.130 0.000 1.005 89 S CB 0.507 63.789 63.200 0.137 0.000 0.909 89 S HN 0.580 nan 8.310 nan 0.000 0.555 90 A N 2.049 124.920 122.820 0.084 0.000 1.940 90 A HA 0.101 4.421 4.320 0.000 0.000 0.219 90 A C 2.420 180.032 177.584 0.047 0.000 1.176 90 A CA 1.873 53.949 52.037 0.065 0.000 0.631 90 A CB -1.705 17.337 19.000 0.070 0.000 0.814 90 A HN 1.364 nan 8.150 nan 0.000 0.446 91 A N -0.927 121.918 122.820 0.043 0.000 1.883 91 A HA -0.212 4.108 4.320 0.000 0.000 0.217 91 A C 2.324 179.924 177.584 0.027 0.000 1.186 91 A CA 1.766 53.816 52.037 0.022 0.000 0.624 91 A CB -1.357 17.638 19.000 -0.008 0.000 0.822 91 A HN 0.608 nan 8.150 nan 0.000 0.444 92 C N -0.900 118.423 119.300 0.038 0.000 2.425 92 C HA -0.129 4.331 4.460 0.000 0.000 0.277 92 C C 2.937 177.924 174.990 -0.005 0.000 1.280 92 C CA 1.231 60.263 59.018 0.022 0.000 1.744 92 C CB -1.443 26.315 27.740 0.031 0.000 1.989 92 C HN 0.685 nan 8.230 nan 0.000 0.491 93 Q N 0.206 120.000 119.800 -0.009 0.000 2.079 93 Q HA -0.083 4.258 4.340 0.000 0.000 0.200 93 Q C 2.124 178.090 176.000 -0.057 0.000 0.974 93 Q CA 1.323 57.100 55.803 -0.044 0.000 0.840 93 Q CB -0.165 28.550 28.738 -0.038 0.000 0.898 93 Q HN 0.674 nan 8.270 nan 0.000 0.430 94 I N 0.680 121.244 120.570 -0.010 0.000 2.226 94 I HA -0.301 3.870 4.170 0.000 0.000 0.245 94 I C 2.673 178.802 176.117 0.020 0.000 1.100 94 I CA 1.151 62.467 61.300 0.026 0.000 1.374 94 I CB -0.323 37.731 38.000 0.090 0.000 1.057 94 I HN 0.346 nan 8.210 nan 0.000 0.413 95 Q N 0.350 120.157 119.800 0.012 0.000 2.096 95 Q HA -0.253 4.087 4.340 0.000 0.000 0.204 95 Q C 2.347 178.335 176.000 -0.020 0.000 0.982 95 Q CA 2.229 58.039 55.803 0.011 0.000 0.850 95 Q CB -0.042 28.701 28.738 0.008 0.000 0.901 95 Q HN 0.381 nan 8.270 nan 0.000 0.422 96 S N -0.294 115.374 115.700 -0.053 0.000 2.368 96 S HA -0.131 4.339 4.470 0.000 0.000 0.224 96 S C 1.960 176.474 174.600 -0.144 0.000 1.029 96 S CA 1.356 59.507 58.200 -0.081 0.000 0.988 96 S CB -0.142 63.007 63.200 -0.086 0.000 0.838 96 S HN 0.429 nan 8.310 nan 0.000 0.462 97 M N 0.657 120.107 119.600 -0.250 0.000 2.213 97 M HA -0.041 4.439 4.480 0.000 0.000 0.263 97 M C 1.860 177.946 176.300 -0.357 0.000 1.062 97 M CA 1.246 56.218 55.300 -0.548 0.000 1.105 97 M CB -0.487 31.456 32.600 -1.096 0.000 1.385 97 M HN 0.298 nan 8.290 nan 0.000 0.417 98 L N -0.169 121.037 121.223 -0.029 0.000 2.465 98 L HA 0.042 4.382 4.340 0.000 0.000 0.224 98 L C 1.251 178.167 176.870 0.077 0.000 1.145 98 L CA 0.322 55.271 54.840 0.182 0.000 0.834 98 L CB -0.745 41.414 42.059 0.166 0.000 0.944 98 L HN 0.628 nan 8.230 nan 0.000 0.451 99 G N 1.631 110.433 108.800 0.004 0.000 2.221 99 G HA2 -0.287 3.673 3.960 0.000 0.000 0.265 99 G HA3 -0.287 3.673 3.960 0.000 0.000 0.265 99 G C 0.132 175.037 174.900 0.009 0.000 1.041 99 G CA 0.644 45.743 45.100 -0.000 0.000 0.807 99 G HN 0.504 nan 8.290 nan 0.000 0.502 100 I N -3.165 117.411 120.570 0.010 0.000 2.785 100 I HA 0.965 5.135 4.170 0.000 0.000 0.302 100 I C -0.344 175.776 176.117 0.005 0.000 1.069 100 I CA -1.508 59.799 61.300 0.011 0.000 1.045 100 I CB 2.421 40.433 38.000 0.019 0.000 1.236 100 I HN 0.206 nan 8.210 nan 0.000 0.429 101 K N 2.504 122.906 120.400 0.004 0.000 2.512 101 K HA 0.829 5.149 4.320 0.000 0.000 0.263 101 K C 0.096 176.699 176.600 0.004 0.000 0.966 101 K CA -0.365 55.923 56.287 0.002 0.000 0.851 101 K CB 2.200 34.698 32.500 -0.003 0.000 1.395 101 K HN 1.048 nan 8.250 nan 0.000 0.440 102 G N 0.367 109.169 108.800 0.003 0.000 2.604 102 G HA2 -0.299 3.661 3.960 0.000 0.000 0.205 102 G HA3 -0.299 3.661 3.960 0.000 0.000 0.205 102 G C 0.396 175.299 174.900 0.004 0.000 1.186 102 G CA -0.222 44.880 45.100 0.003 0.000 0.753 102 G HN 1.317 nan 8.290 nan 0.000 0.526 103 C N 3.402 122.706 119.300 0.007 0.000 2.703 103 C HA 0.623 5.083 4.460 0.000 0.000 0.411 103 C C -0.947 174.047 174.990 0.007 0.000 1.290 103 C CA -1.212 57.808 59.018 0.004 0.000 2.054 103 C CB 0.679 28.423 27.740 0.006 0.000 2.732 103 C HN 0.620 nan 8.230 nan 0.000 0.650 104 P HA 0.394 nan 4.420 nan 0.000 0.269 104 P C -0.569 176.776 177.300 0.076 0.000 1.209 104 P CA 0.587 63.711 63.100 0.039 0.000 0.776 104 P CB 0.786 32.493 31.700 0.012 0.000 0.876 105 A N 3.245 126.148 122.820 0.139 0.000 2.429 105 A HA 0.754 5.074 4.320 0.000 0.000 0.289 105 A C -1.034 176.694 177.584 0.240 0.000 1.043 105 A CA -0.507 51.592 52.037 0.104 0.000 0.722 105 A CB 0.705 19.735 19.000 0.050 0.000 1.243 105 A HN 0.525 nan 8.150 nan 0.000 0.415 106 F N -0.272 119.676 119.950 -0.003 0.000 2.713 106 F HA 0.793 5.321 4.527 0.001 0.000 0.311 106 F C -1.429 174.389 175.800 0.030 0.000 1.141 106 F CA -1.147 56.862 58.000 0.014 0.000 0.939 106 F CB 0.842 39.846 39.000 0.008 0.000 1.325 106 F HN 0.312 nan 8.300 nan 0.000 0.453 107 D N 1.202 121.740 120.400 0.231 0.000 2.217 107 D HA 0.645 5.285 4.640 0.000 0.000 0.248 107 D C -0.969 175.455 176.300 0.206 0.000 1.008 107 D CA -0.337 53.730 54.000 0.113 0.000 0.914 107 D CB 2.412 43.280 40.800 0.114 0.000 1.182 107 D HN 0.506 nan 8.370 nan 0.000 0.451 108 V N 0.791 120.769 119.914 0.107 0.000 2.588 108 V HA 0.665 4.785 4.120 0.000 0.000 0.304 108 V C -0.489 175.639 176.094 0.057 0.000 1.042 108 V CA -0.871 61.507 62.300 0.130 0.000 0.877 108 V CB 1.793 33.693 31.823 0.129 0.000 0.996 108 V HN 0.701 nan 8.190 nan 0.000 0.425 109 A N 3.937 126.772 122.820 0.025 0.000 2.256 109 A HA 0.831 5.151 4.320 0.000 0.000 0.317 109 A C 0.313 177.814 177.584 -0.138 0.000 1.318 109 A CA 0.146 52.166 52.037 -0.028 0.000 0.894 109 A CB 0.885 19.881 19.000 -0.006 0.000 1.165 109 A HN 1.512 nan 8.150 nan 0.000 0.525 110 A N 2.518 125.231 122.820 -0.178 0.000 2.897 110 A HA 0.676 4.996 4.320 0.000 0.000 0.230 110 A C 0.845 178.325 177.584 -0.173 0.000 0.896 110 A CA 0.837 52.668 52.037 -0.344 0.000 1.114 110 A CB -1.098 17.401 19.000 -0.834 0.000 1.230 110 A HN 2.725 nan 8.150 nan 0.000 0.481 111 A N -0.917 121.856 122.820 -0.079 0.000 5.568 111 A HA -0.376 3.944 4.320 0.000 0.000 0.322 111 A C 1.848 179.425 177.584 -0.012 0.000 1.802 111 A CA 1.548 53.571 52.037 -0.023 0.000 0.727 111 A CB -1.933 17.064 19.000 -0.006 0.000 1.362 111 A HN 1.470 nan 8.150 nan 0.000 0.396 112 C N -0.431 118.855 119.300 -0.023 0.000 2.419 112 C HA 0.202 4.663 4.460 0.000 0.000 0.283 112 C C 2.958 177.823 174.990 -0.208 0.000 1.373 112 C CA 1.412 60.350 59.018 -0.133 0.000 1.781 112 C CB -1.881 25.706 27.740 -0.254 0.000 1.886 112 C HN 1.273 nan 8.230 nan 0.000 0.520 113 A N 0.525 123.293 122.820 -0.086 0.000 2.251 113 A HA 0.360 4.680 4.320 0.000 0.000 0.209 113 A C 2.196 179.881 177.584 0.170 0.000 1.187 113 A CA 0.997 53.074 52.037 0.066 0.000 0.823 113 A CB -0.679 18.410 19.000 0.147 0.000 0.846 113 A HN 0.517 nan 8.150 nan 0.000 0.486 114 G N -0.097 108.756 108.800 0.089 0.000 2.505 114 G HA2 -0.334 3.626 3.960 0.000 0.000 0.220 114 G HA3 -0.334 3.626 3.960 0.000 0.000 0.220 114 G C 1.346 176.373 174.900 0.211 0.000 1.145 114 G CA 1.393 46.563 45.100 0.118 0.000 0.761 114 G HN 0.529 nan 8.290 nan 0.000 0.571 115 F N 2.587 122.608 119.950 0.119 0.000 2.134 115 F HA -0.127 4.400 4.527 0.000 0.000 0.299 115 F C 3.096 178.978 175.800 0.136 0.000 1.097 115 F CA 2.286 60.357 58.000 0.119 0.000 1.264 115 F CB -0.597 38.475 39.000 0.120 0.000 1.001 115 F HN 0.248 nan 8.300 nan 0.000 0.479 116 T N -2.228 112.450 114.554 0.207 0.000 2.788 116 T HA -0.269 4.082 4.350 0.000 0.000 0.268 116 T C 1.852 176.543 174.700 -0.015 0.000 1.044 116 T CA 1.671 63.825 62.100 0.091 0.000 1.139 116 T CB -1.180 67.794 68.868 0.177 0.000 0.867 116 T HN 0.347 nan 8.240 nan 0.000 0.454 117 Y N 2.059 122.328 120.300 -0.051 0.000 2.133 117 Y HA 0.228 4.778 4.550 0.000 0.000 0.287 117 Y C 3.131 178.971 175.900 -0.099 0.000 1.134 117 Y CA 0.749 58.813 58.100 -0.060 0.000 1.133 117 Y CB -1.038 37.408 38.460 -0.023 0.000 0.987 117 Y HN 0.314 nan 8.280 nan 0.000 0.502 118 A N -0.413 122.414 122.820 0.012 0.000 1.940 118 A HA -0.199 4.122 4.320 0.000 0.000 0.219 118 A C 2.202 179.651 177.584 -0.225 0.000 1.176 118 A CA 1.730 53.700 52.037 -0.111 0.000 0.631 118 A CB -1.123 17.784 19.000 -0.154 0.000 0.814 118 A HN 0.445 nan 8.150 nan 0.000 0.446 119 L N -0.237 120.739 121.223 -0.413 0.000 2.017 119 L HA -0.116 4.224 4.340 0.000 0.000 0.208 119 L C 2.662 179.422 176.870 -0.183 0.000 1.073 119 L CA 2.563 57.168 54.840 -0.392 0.000 0.745 119 L CB -0.734 41.020 42.059 -0.509 0.000 0.894 119 L HN 0.366 nan 8.230 nan 0.000 0.432 120 S N -1.367 114.234 115.700 -0.165 0.000 2.359 120 S HA -0.181 4.289 4.470 0.000 0.000 0.224 120 S C 1.992 176.544 174.600 -0.080 0.000 1.035 120 S CA 1.676 59.792 58.200 -0.139 0.000 1.018 120 S CB -0.482 62.592 63.200 -0.210 0.000 0.876 120 S HN 0.309 nan 8.310 nan 0.000 0.448 121 V N 2.091 121.990 119.914 -0.025 0.000 2.295 121 V HA -0.152 3.968 4.120 0.000 0.000 0.246 121 V C 2.912 179.113 176.094 0.178 0.000 1.049 121 V CA 1.907 64.263 62.300 0.093 0.000 1.024 121 V CB -1.393 30.557 31.823 0.211 0.000 0.648 121 V HN 0.638 nan 8.190 nan 0.000 0.447 122 A N -0.124 122.759 122.820 0.106 0.000 1.969 122 A HA -0.271 4.050 4.320 0.000 0.000 0.218 122 A C 2.037 179.684 177.584 0.105 0.000 1.169 122 A CA 1.950 54.067 52.037 0.132 0.000 0.635 122 A CB -0.665 18.338 19.000 0.005 0.000 0.810 122 A HN 0.597 nan 8.150 nan 0.000 0.445 123 D N -0.562 119.850 120.400 0.020 0.000 2.123 123 D HA -0.181 4.459 4.640 0.000 0.000 0.196 123 D C 2.026 178.312 176.300 -0.024 0.000 0.992 123 D CA 1.548 55.543 54.000 -0.009 0.000 0.833 123 D CB -0.078 40.695 40.800 -0.045 0.000 0.954 123 D HN 0.360 nan 8.370 nan 0.000 0.455 124 Q N -0.615 119.155 119.800 -0.050 0.000 2.084 124 Q HA -0.182 4.159 4.340 0.000 0.000 0.202 124 Q C 2.278 178.193 176.000 -0.142 0.000 0.978 124 Q CA 1.204 56.923 55.803 -0.141 0.000 0.844 124 Q CB -0.879 27.718 28.738 -0.234 0.000 0.898 124 Q HN 0.554 nan 8.270 nan 0.000 0.426 125 Y N 0.139 120.421 120.300 -0.029 0.000 2.293 125 Y HA -0.127 4.423 4.550 0.000 0.000 0.291 125 Y C 2.468 178.345 175.900 -0.039 0.000 1.137 125 Y CA 0.760 58.847 58.100 -0.021 0.000 1.202 125 Y CB -0.150 38.317 38.460 0.011 0.000 0.990 125 Y HN -0.126 nan 8.280 nan 0.000 0.537 126 V N -0.244 119.734 119.914 0.107 0.000 2.407 126 V HA -0.222 3.898 4.120 0.000 0.000 0.245 126 V C 2.121 178.196 176.094 -0.032 0.000 1.041 126 V CA 1.538 63.854 62.300 0.026 0.000 1.040 126 V CB -0.421 31.411 31.823 0.014 0.000 0.671 126 V HN 0.285 nan 8.190 nan 0.000 0.455 127 K N 1.022 121.386 120.400 -0.060 0.000 2.032 127 K HA -0.171 4.149 4.320 0.000 0.000 0.209 127 K C 2.274 178.791 176.600 -0.138 0.000 1.048 127 K CA 1.872 58.079 56.287 -0.133 0.000 0.927 127 K CB -0.374 32.029 32.500 -0.162 0.000 0.712 127 K HN 0.607 nan 8.250 nan 0.000 0.441 128 S N -0.721 114.913 115.700 -0.109 0.000 2.603 128 S HA 0.012 4.482 4.470 0.000 0.000 0.229 128 S C 1.411 175.971 174.600 -0.068 0.000 0.972 128 S CA 0.818 58.958 58.200 -0.100 0.000 0.935 128 S CB 0.032 63.167 63.200 -0.108 0.000 0.769 128 S HN 0.511 nan 8.310 nan 0.000 0.536 129 G N 0.418 109.185 108.800 -0.054 0.000 2.199 129 G HA2 -0.258 3.702 3.960 0.000 0.000 0.254 129 G HA3 -0.258 3.702 3.960 0.000 0.000 0.254 129 G C 1.011 175.903 174.900 -0.013 0.000 0.982 129 G CA 0.214 45.289 45.100 -0.042 0.000 0.632 129 G HN 1.222 nan 8.290 nan 0.000 0.529 130 A N -0.845 121.989 122.820 0.022 0.000 1.969 130 A HA 0.537 4.857 4.320 0.000 0.000 0.218 130 A C 1.152 178.771 177.584 0.057 0.000 1.169 130 A CA 1.943 54.017 52.037 0.063 0.000 0.635 130 A CB 0.190 19.278 19.000 0.147 0.000 0.810 130 A HN 1.160 nan 8.150 nan 0.000 0.445 131 V N -0.322 119.624 119.914 0.054 0.000 2.531 131 V HA 0.232 4.352 4.120 0.000 0.000 0.301 131 V C 0.899 176.968 176.094 -0.040 0.000 1.034 131 V CA -0.618 61.695 62.300 0.021 0.000 0.865 131 V CB 1.714 33.563 31.823 0.043 0.000 0.995 131 V HN 0.503 nan 8.190 nan 0.000 0.424 132 K N 3.320 123.663 120.400 -0.095 0.000 2.044 132 K HA 0.093 4.414 4.320 0.000 0.000 0.204 132 K C -0.447 175.888 176.600 -0.442 0.000 1.049 132 K CA 1.166 57.276 56.287 -0.296 0.000 0.945 132 K CB 0.188 32.465 32.500 -0.371 0.000 0.724 132 K HN 0.649 nan 8.250 nan 0.000 0.440 133 Y N -0.508 119.800 120.300 0.014 0.000 2.391 133 Y HA 0.537 5.087 4.550 0.000 0.000 0.341 133 Y C -0.578 175.325 175.900 0.005 0.000 0.965 133 Y CA -1.295 56.813 58.100 0.013 0.000 1.067 133 Y CB 2.310 40.777 38.460 0.012 0.000 1.199 133 Y HN -0.013 nan 8.280 nan 0.000 0.450 134 A N 3.060 125.982 122.820 0.170 0.000 2.435 134 A HA 0.770 5.090 4.320 0.000 0.000 0.304 134 A C -2.128 175.500 177.584 0.073 0.000 1.064 134 A CA -0.696 51.390 52.037 0.082 0.000 0.727 134 A CB 1.545 20.569 19.000 0.041 0.000 1.284 134 A HN 0.667 nan 8.150 nan 0.000 0.415 135 L N 2.565 123.810 121.223 0.036 0.000 2.296 135 L HA 0.733 5.073 4.340 0.000 0.000 0.286 135 L C -1.161 175.721 176.870 0.019 0.000 1.023 135 L CA -0.241 54.623 54.840 0.039 0.000 0.812 135 L CB 1.607 43.684 42.059 0.031 0.000 1.223 135 L HN 0.407 nan 8.230 nan 0.000 0.421 136 V N 5.946 125.898 119.914 0.065 0.000 2.444 136 V HA 0.597 4.718 4.120 0.000 0.000 0.294 136 V C -0.456 175.770 176.094 0.220 0.000 1.022 136 V CA -0.629 61.708 62.300 0.062 0.000 0.850 136 V CB 1.816 33.624 31.823 -0.026 0.000 0.992 136 V HN 0.551 nan 8.190 nan 0.000 0.426 137 V N 3.120 123.142 119.914 0.179 0.000 2.680 137 V HA 0.839 4.959 4.120 0.000 0.000 0.309 137 V C 0.520 176.788 176.094 0.289 0.000 1.052 137 V CA -0.405 62.028 62.300 0.221 0.000 0.908 137 V CB 2.176 34.070 31.823 0.118 0.000 1.001 137 V HN 0.955 nan 8.190 nan 0.000 0.431 138 G N 1.491 110.469 108.800 0.297 0.000 2.574 138 G HA2 0.580 4.540 3.960 0.000 0.000 0.306 138 G HA3 0.580 4.540 3.960 0.000 0.000 0.306 138 G C -0.793 174.192 174.900 0.141 0.000 1.334 138 G CA -0.349 44.916 45.100 0.276 0.000 0.954 138 G HN 0.687 nan 8.290 nan 0.000 0.500 139 S N 1.855 117.632 115.700 0.129 0.000 2.572 139 S HA 0.668 5.138 4.470 0.000 0.000 0.274 139 S C -1.871 172.788 174.600 0.099 0.000 1.150 139 S CA -0.765 57.498 58.200 0.105 0.000 0.944 139 S CB 1.845 65.106 63.200 0.102 0.000 1.071 139 S HN 0.522 nan 8.310 nan 0.000 0.479 140 D N 1.653 122.111 120.400 0.097 0.000 2.655 140 D HA 0.346 4.986 4.640 0.000 0.000 0.229 140 D C -0.524 175.826 176.300 0.083 0.000 1.229 140 D CA -0.303 53.749 54.000 0.087 0.000 0.807 140 D CB 2.204 43.063 40.800 0.097 0.000 1.514 140 D HN 0.519 nan 8.370 nan 0.000 0.444 141 V N 0.323 120.276 119.914 0.065 0.000 2.699 141 V HA 0.277 4.397 4.120 0.000 0.000 0.311 141 V C 1.483 177.600 176.094 0.039 0.000 1.160 141 V CA -0.432 61.906 62.300 0.063 0.000 1.313 141 V CB -0.195 31.663 31.823 0.058 0.000 1.553 141 V HN 0.488 nan 8.190 nan 0.000 0.630 142 L N 0.742 121.983 121.223 0.030 0.000 2.265 142 L HA -0.060 4.280 4.340 0.000 0.000 0.215 142 L C 2.817 179.664 176.870 -0.039 0.000 1.117 142 L CA 1.737 56.531 54.840 -0.077 0.000 0.782 142 L CB -0.613 41.304 42.059 -0.237 0.000 0.914 142 L HN 0.628 nan 8.230 nan 0.000 0.441 143 A N 0.303 123.175 122.820 0.086 0.000 1.933 143 A HA -0.230 4.090 4.320 0.000 0.000 0.218 143 A C 2.443 180.065 177.584 0.064 0.000 1.175 143 A CA 1.419 53.527 52.037 0.117 0.000 0.628 143 A CB -0.525 18.552 19.000 0.130 0.000 0.814 143 A HN 0.334 nan 8.150 nan 0.000 0.444 144 R N -0.139 120.392 120.500 0.051 0.000 2.237 144 R HA -0.104 4.237 4.340 0.000 0.000 0.219 144 R C 1.816 178.143 176.300 0.045 0.000 1.080 144 R CA 1.751 57.879 56.100 0.046 0.000 0.995 144 R CB -0.268 30.057 30.300 0.042 0.000 0.875 144 R HN 0.657 nan 8.270 nan 0.000 0.462 145 T N -3.078 111.489 114.554 0.021 0.000 3.086 145 T HA 0.168 4.518 4.350 0.000 0.000 0.250 145 T C 0.755 175.499 174.700 0.073 0.000 1.074 145 T CA -0.383 61.737 62.100 0.034 0.000 0.988 145 T CB -0.272 68.578 68.868 -0.030 0.000 0.988 145 T HN 0.062 nan 8.240 nan 0.000 0.530 146 C N 2.834 122.150 119.300 0.027 0.000 2.534 146 C HA 0.485 4.946 4.460 0.000 0.000 0.385 146 C C 0.657 175.562 174.990 -0.141 0.000 1.264 146 C CA -0.915 58.097 59.018 -0.010 0.000 2.342 146 C CB 0.441 28.204 27.740 0.040 0.000 2.564 146 C HN 0.529 nan 8.230 nan 0.000 0.603 147 D N 3.334 123.504 120.400 -0.383 0.000 2.339 147 D HA 0.113 4.753 4.640 0.000 0.000 0.256 147 D C -1.030 175.115 176.300 -0.259 0.000 1.214 147 D CA -1.786 51.768 54.000 -0.744 0.000 0.877 147 D CB 0.944 41.340 40.800 -0.675 0.000 1.111 147 D HN 0.323 nan 8.370 nan 0.000 0.478 148 P HA -0.107 nan 4.420 nan 0.000 0.231 148 P C 0.779 178.052 177.300 -0.046 0.000 1.158 148 P CA 0.901 63.965 63.100 -0.060 0.000 0.763 148 P CB -0.019 31.666 31.700 -0.026 0.000 0.805 149 T N -4.776 109.737 114.554 -0.069 0.000 3.105 149 T HA 0.123 4.473 4.350 0.000 0.000 0.253 149 T C 0.200 174.880 174.700 -0.033 0.000 1.047 149 T CA -0.295 61.781 62.100 -0.040 0.000 0.944 149 T CB -0.580 68.268 68.868 -0.032 0.000 1.016 149 T HN -0.114 nan 8.240 nan 0.000 0.544 150 D N 1.261 121.638 120.400 -0.037 0.000 2.428 150 D HA 0.307 4.948 4.640 0.000 0.000 0.221 150 D C 1.325 177.642 176.300 0.029 0.000 1.123 150 D CA -0.712 53.285 54.000 -0.005 0.000 0.869 150 D CB 1.060 41.857 40.800 -0.006 0.000 1.032 150 D HN 0.101 nan 8.370 nan 0.000 0.506 151 R N 2.706 123.221 120.500 0.026 0.000 2.096 151 R HA -0.148 4.192 4.340 0.000 0.000 0.240 151 R C 1.971 178.335 176.300 0.106 0.000 1.139 151 R CA 1.900 58.030 56.100 0.051 0.000 0.952 151 R CB -0.481 29.822 30.300 0.004 0.000 0.854 151 R HN 0.569 nan 8.270 nan 0.000 0.436 152 G N -1.098 107.769 108.800 0.110 0.000 2.485 152 G HA2 -0.319 3.642 3.960 0.000 0.000 0.221 152 G HA3 -0.319 3.642 3.960 0.000 0.000 0.221 152 G C 1.346 176.337 174.900 0.152 0.000 1.115 152 G CA 1.553 46.737 45.100 0.140 0.000 0.751 152 G HN 0.606 nan 8.290 nan 0.000 0.567 153 T N -2.111 112.546 114.554 0.171 0.000 3.026 153 T HA 0.175 4.525 4.350 0.000 0.000 0.245 153 T C 2.199 177.066 174.700 0.279 0.000 1.004 153 T CA 0.380 62.649 62.100 0.283 0.000 1.069 153 T CB -0.125 68.928 68.868 0.309 0.000 1.005 153 T HN 0.004 nan 8.240 nan 0.000 0.472 154 I N 3.061 123.732 120.570 0.168 0.000 2.567 154 I HA 0.073 4.244 4.170 0.000 0.000 0.257 154 I C 2.036 178.219 176.117 0.111 0.000 1.184 154 I CA 0.462 61.843 61.300 0.134 0.000 1.451 154 I CB -0.381 37.660 38.000 0.068 0.000 1.089 154 I HN 0.537 nan 8.210 nan 0.000 0.441 155 I N -3.124 117.503 120.570 0.094 0.000 3.059 155 I HA -0.075 4.095 4.170 0.000 0.000 0.270 155 I C 1.814 177.931 176.117 0.001 0.000 1.238 155 I CA 0.794 62.132 61.300 0.063 0.000 1.478 155 I CB -0.349 37.712 38.000 0.102 0.000 1.097 155 I HN -0.025 nan 8.210 nan 0.000 0.455 156 I N 1.208 121.747 120.570 -0.052 0.000 2.385 156 I HA 0.120 4.290 4.170 0.000 0.000 0.244 156 I C 1.061 176.997 176.117 -0.302 0.000 1.089 156 I CA 0.667 61.811 61.300 -0.260 0.000 1.410 156 I CB -0.888 36.785 38.000 -0.544 0.000 1.117 156 I HN 0.045 nan 8.210 nan 0.000 0.429 157 F N 0.877 120.864 119.950 0.061 0.000 2.389 157 F HA 0.513 5.040 4.527 0.000 0.000 0.337 157 F C 0.996 176.832 175.800 0.059 0.000 1.112 157 F CA -0.131 57.910 58.000 0.068 0.000 1.192 157 F CB 0.804 39.850 39.000 0.076 0.000 1.185 157 F HN -0.041 nan 8.300 nan 0.000 0.552 158 G N 0.811 109.770 108.800 0.266 0.000 2.733 158 G HA2 0.542 4.502 3.960 0.000 0.000 0.288 158 G HA3 0.542 4.502 3.960 0.000 0.000 0.288 158 G C -1.925 173.076 174.900 0.170 0.000 1.373 158 G CA -0.798 44.407 45.100 0.175 0.000 0.895 158 G HN 0.418 nan 8.290 nan 0.000 0.479 159 D N -1.000 119.472 120.400 0.120 0.000 2.299 159 D HA 0.766 5.406 4.640 0.000 0.000 0.243 159 D C 0.432 176.746 176.300 0.024 0.000 0.982 159 D CA 0.332 54.385 54.000 0.089 0.000 0.924 159 D CB 1.969 42.819 40.800 0.084 0.000 1.238 159 D HN 0.938 nan 8.370 nan 0.000 0.484 160 G N -1.189 107.622 108.800 0.019 0.000 2.324 160 G HA2 0.604 4.564 3.960 0.000 0.000 0.293 160 G HA3 0.604 4.564 3.960 0.000 0.000 0.293 160 G C -2.045 172.867 174.900 0.021 0.000 1.297 160 G CA -0.162 44.907 45.100 -0.052 0.000 0.853 160 G HN 0.655 nan 8.290 nan 0.000 0.535 161 A N -1.246 121.581 122.820 0.012 0.000 2.547 161 A HA 0.991 5.311 4.320 0.000 0.000 0.297 161 A C -0.096 177.494 177.584 0.009 0.000 1.056 161 A CA 0.330 52.397 52.037 0.050 0.000 0.688 161 A CB 1.697 20.762 19.000 0.109 0.000 1.282 161 A HN 2.315 nan 8.150 nan 0.000 0.400 162 G N -0.356 108.434 108.800 -0.016 0.000 2.519 162 G HA2 0.917 4.877 3.960 0.000 0.000 0.307 162 G HA3 0.917 4.877 3.960 0.000 0.000 0.307 162 G C -0.612 174.268 174.900 -0.033 0.000 1.266 162 G CA 0.001 45.059 45.100 -0.071 0.000 0.970 162 G HN 1.955 nan 8.290 nan 0.000 0.481 163 A N -0.611 122.201 122.820 -0.012 0.000 2.587 163 A HA 1.008 5.328 4.320 0.000 0.000 0.293 163 A C -0.637 177.016 177.584 0.115 0.000 1.087 163 A CA -0.134 51.956 52.037 0.088 0.000 0.692 163 A CB 1.705 20.746 19.000 0.067 0.000 1.291 163 A HN 2.280 nan 8.150 nan 0.000 0.407 164 A N 0.152 123.097 122.820 0.208 0.000 2.486 164 A HA 0.704 5.025 4.320 0.000 0.000 0.300 164 A C -1.346 176.328 177.584 0.150 0.000 1.048 164 A CA -0.447 51.714 52.037 0.206 0.000 0.696 164 A CB 1.515 20.722 19.000 0.345 0.000 1.278 164 A HN 1.416 nan 8.150 nan 0.000 0.405 165 V N 2.892 122.879 119.914 0.120 0.000 2.370 165 V HA 0.428 4.548 4.120 0.000 0.000 0.283 165 V C -0.760 175.410 176.094 0.126 0.000 1.023 165 V CA -0.380 61.982 62.300 0.104 0.000 0.857 165 V CB 1.077 32.939 31.823 0.066 0.000 0.985 165 V HN 0.729 nan 8.190 nan 0.000 0.443 166 L N 4.455 125.756 121.223 0.130 0.000 2.322 166 L HA 0.887 5.227 4.340 0.000 0.000 0.279 166 L C 0.269 177.234 176.870 0.158 0.000 1.036 166 L CA 0.004 54.911 54.840 0.113 0.000 0.807 166 L CB 1.612 43.712 42.059 0.070 0.000 1.226 166 L HN 0.785 nan 8.230 nan 0.000 0.433 167 A N 1.869 124.753 122.820 0.106 0.000 2.486 167 A HA 0.875 5.195 4.320 0.000 0.000 0.300 167 A C -0.598 176.962 177.584 -0.040 0.000 1.048 167 A CA -0.449 51.614 52.037 0.043 0.000 0.696 167 A CB 1.263 20.375 19.000 0.187 0.000 1.278 167 A HN 0.823 nan 8.150 nan 0.000 0.405 168 A N 1.031 123.767 122.820 -0.141 0.000 2.498 168 A HA 0.579 4.899 4.320 0.000 0.000 0.239 168 A C 0.571 178.130 177.584 -0.042 0.000 1.068 168 A CA 0.880 52.862 52.037 -0.091 0.000 0.766 168 A CB -0.016 18.903 19.000 -0.135 0.000 1.003 168 A HN 2.152 nan 8.150 nan 0.000 0.497 169 S N 0.562 116.270 115.700 0.013 0.000 2.541 169 S HA 0.366 4.836 4.470 0.000 0.000 0.271 169 S C 0.421 175.085 174.600 0.106 0.000 1.133 169 S CA -0.417 57.811 58.200 0.047 0.000 0.876 169 S CB 1.166 64.395 63.200 0.049 0.000 1.105 169 S HN 0.691 nan 8.310 nan 0.000 0.470 170 E N 1.399 121.651 120.200 0.086 0.000 2.208 170 E HA 0.018 4.368 4.350 0.000 0.000 0.193 170 E C -0.041 176.671 176.600 0.185 0.000 0.988 170 E CA 0.852 57.325 56.400 0.122 0.000 0.828 170 E CB 0.155 29.893 29.700 0.063 0.000 0.763 170 E HN 0.637 nan 8.360 nan 0.000 0.478 171 E N 0.402 120.638 120.200 0.060 0.000 2.343 171 E HA 0.268 4.618 4.350 0.000 0.000 0.270 171 E C -2.637 173.821 176.600 -0.236 0.000 0.895 171 E CA -2.430 53.872 56.400 -0.164 0.000 0.767 171 E CB 2.324 31.942 29.700 -0.137 0.000 1.248 171 E HN -0.096 nan 8.360 nan 0.000 0.440 172 P HA 0.166 nan 4.420 nan 0.000 0.275 172 P C 0.359 177.546 177.300 -0.188 0.000 1.228 172 P CA 0.433 63.353 63.100 -0.300 0.000 0.786 172 P CB 0.987 32.443 31.700 -0.407 0.000 0.927 173 G N 2.810 111.513 108.800 -0.163 0.000 2.642 173 G HA2 -0.220 3.741 3.960 0.000 0.000 0.231 173 G HA3 -0.220 3.741 3.960 0.000 0.000 0.231 173 G C -0.412 174.411 174.900 -0.129 0.000 1.338 173 G CA -0.469 44.538 45.100 -0.155 0.000 0.883 173 G HN 0.563 nan 8.290 nan 0.000 0.570 174 I N 1.744 122.280 120.570 -0.057 0.000 2.406 174 I HA 0.150 4.320 4.170 0.000 0.000 0.293 174 I C 1.820 177.962 176.117 0.043 0.000 1.101 174 I CA -0.116 61.175 61.300 -0.014 0.000 1.334 174 I CB 0.292 38.291 38.000 -0.001 0.000 1.421 174 I HN 0.442 nan 8.210 nan 0.000 0.513 175 I N 4.225 124.810 120.570 0.025 0.000 2.252 175 I HA -0.157 4.014 4.170 0.000 0.000 0.245 175 I C 1.006 177.168 176.117 0.076 0.000 1.102 175 I CA 1.002 62.329 61.300 0.044 0.000 1.385 175 I CB -0.114 37.902 38.000 0.027 0.000 1.064 175 I HN 0.791 nan 8.210 nan 0.000 0.414 176 S N -0.865 114.868 115.700 0.055 0.000 2.627 176 S HA 0.485 4.955 4.470 0.000 0.000 0.268 176 S C -0.500 174.066 174.600 -0.057 0.000 1.130 176 S CA -0.627 57.560 58.200 -0.021 0.000 0.819 176 S CB 1.603 64.805 63.200 0.003 0.000 1.100 176 S HN 0.153 nan 8.310 nan 0.000 0.465 177 T N -0.851 113.545 114.554 -0.263 0.000 2.906 177 T HA 0.835 5.185 4.350 0.000 0.000 0.295 177 T C -1.588 172.780 174.700 -0.553 0.000 1.061 177 T CA -0.631 61.342 62.100 -0.212 0.000 1.000 177 T CB 1.397 70.165 68.868 -0.166 0.000 1.103 177 T HN 0.865 nan 8.240 nan 0.000 0.486 178 H N 0.109 119.108 119.070 -0.119 0.000 2.856 178 H HA 0.710 5.266 4.556 0.000 0.000 0.355 178 H C -0.942 174.203 175.328 -0.305 0.000 1.079 178 H CA -0.697 55.234 56.048 -0.194 0.000 1.240 178 H CB 1.550 31.265 29.762 -0.078 0.000 1.701 178 H HN 0.612 nan 8.280 nan 0.000 0.527 179 L N 2.897 123.856 121.223 -0.439 0.000 2.401 179 L HA 0.643 4.984 4.340 0.000 0.000 0.266 179 L C -0.639 175.784 176.870 -0.745 0.000 0.991 179 L CA -0.650 53.832 54.840 -0.596 0.000 0.818 179 L CB 2.205 43.748 42.059 -0.861 0.000 1.321 179 L HN 0.690 nan 8.230 nan 0.000 0.413 180 H N 0.485 119.251 119.070 -0.506 0.000 3.008 180 H HA 0.876 5.432 4.556 0.000 0.000 0.354 180 H C -1.032 173.758 175.328 -0.897 0.000 1.252 180 H CA -0.648 54.949 56.048 -0.751 0.000 1.117 180 H CB 2.347 31.419 29.762 -1.151 0.000 1.857 180 H HN 0.785 nan 8.280 nan 0.000 0.547 181 A N 1.001 123.476 122.820 -0.574 0.000 2.612 181 A HA 0.515 4.835 4.320 0.000 0.000 0.293 181 A C -1.846 175.729 177.584 -0.015 0.000 1.075 181 A CA -0.542 51.308 52.037 -0.310 0.000 0.680 181 A CB 1.916 20.893 19.000 -0.037 0.000 1.279 181 A HN 0.662 nan 8.150 nan 0.000 0.411 182 D N 0.610 121.199 120.400 0.314 0.000 2.319 182 D HA 0.377 5.018 4.640 0.000 0.000 0.237 182 D C 0.924 177.402 176.300 0.297 0.000 1.353 182 D CA 0.414 54.646 54.000 0.387 0.000 0.992 182 D CB 1.127 42.349 40.800 0.703 0.000 1.368 182 D HN 0.729 nan 8.370 nan 0.000 0.564 183 G N 1.360 110.238 108.800 0.129 0.000 2.559 183 G HA2 -0.175 3.785 3.960 0.000 0.000 0.216 183 G HA3 -0.175 3.785 3.960 0.000 0.000 0.216 183 G C 1.339 176.220 174.900 -0.031 0.000 1.126 183 G CA 0.952 46.084 45.100 0.052 0.000 0.778 183 G HN 0.484 nan 8.290 nan 0.000 0.543 184 S N -0.517 115.122 115.700 -0.102 0.000 2.507 184 S HA -0.020 4.450 4.470 0.000 0.000 0.235 184 S C 1.463 175.847 174.600 -0.361 0.000 0.988 184 S CA 0.360 58.413 58.200 -0.245 0.000 0.944 184 S CB -0.428 62.573 63.200 -0.332 0.000 0.762 184 S HN 0.412 nan 8.310 nan 0.000 0.526 185 Y N 1.695 121.849 120.300 -0.242 0.000 2.524 185 Y HA 0.450 5.001 4.550 0.001 0.000 0.266 185 Y C 2.259 177.840 175.900 -0.532 0.000 1.180 185 Y CA -0.708 57.062 58.100 -0.550 0.000 1.244 185 Y CB -0.588 37.089 38.460 -1.305 0.000 1.125 185 Y HN 0.329 nan 8.280 nan 0.000 0.524 186 G N 0.737 109.453 108.800 -0.140 0.000 2.469 186 G HA2 -0.385 3.575 3.960 0.000 0.000 0.220 186 G HA3 -0.385 3.575 3.960 0.000 0.000 0.220 186 G C 1.662 176.549 174.900 -0.021 0.000 1.136 186 G CA 1.506 46.569 45.100 -0.062 0.000 0.759 186 G HN 0.483 nan 8.290 nan 0.000 0.562 187 E N 0.723 120.911 120.200 -0.020 0.000 2.268 187 E HA 0.137 4.488 4.350 0.000 0.000 0.195 187 E C 2.317 178.957 176.600 0.067 0.000 0.995 187 E CA 0.952 57.366 56.400 0.024 0.000 0.836 187 E CB -0.433 29.279 29.700 0.020 0.000 0.763 187 E HN 0.506 nan 8.360 nan 0.000 0.491 188 L N -1.479 119.788 121.223 0.073 0.000 2.465 188 L HA 0.215 4.555 4.340 0.000 0.000 0.224 188 L C 0.471 177.504 176.870 0.271 0.000 1.145 188 L CA 0.282 55.232 54.840 0.184 0.000 0.834 188 L CB 0.241 42.460 42.059 0.265 0.000 0.944 188 L HN 0.326 nan 8.230 nan 0.000 0.451 189 L N 0.261 121.638 121.223 0.256 0.000 2.661 189 L HA 0.390 4.731 4.340 0.000 0.000 0.263 189 L C -0.517 176.463 176.870 0.183 0.000 0.956 189 L CA -0.032 54.976 54.840 0.279 0.000 0.918 189 L CB 1.680 44.002 42.059 0.439 0.000 1.280 189 L HN 0.035 nan 8.230 nan 0.000 0.416 190 T N 2.233 116.864 114.554 0.129 0.000 2.896 190 T HA 0.799 5.149 4.350 0.000 0.000 0.297 190 T C -1.587 173.143 174.700 0.050 0.000 1.108 190 T CA -0.698 61.450 62.100 0.080 0.000 1.004 190 T CB 1.764 70.671 68.868 0.065 0.000 1.159 190 T HN 0.735 nan 8.240 nan 0.000 0.499 191 L N 2.434 123.674 121.223 0.027 0.000 2.573 191 L HA 0.596 4.936 4.340 0.000 0.000 0.260 191 L C -2.859 174.013 176.870 0.003 0.000 0.997 191 L CA -1.443 53.400 54.840 0.004 0.000 0.890 191 L CB 0.986 43.032 42.059 -0.023 0.000 1.179 191 L HN 0.563 nan 8.230 nan 0.000 0.439 192 P HA 0.317 nan 4.420 nan 0.000 0.271 192 P C -0.763 176.526 177.300 -0.020 0.000 1.218 192 P CA -0.018 63.079 63.100 -0.006 0.000 0.780 192 P CB 0.626 32.321 31.700 -0.008 0.000 0.901 193 N N -0.099 118.589 118.700 -0.020 0.000 2.458 193 N HA 0.466 5.206 4.740 0.000 0.000 0.271 193 N C -0.243 175.244 175.510 -0.037 0.000 1.210 193 N CA -0.833 52.200 53.050 -0.030 0.000 0.978 193 N CB 0.443 38.916 38.487 -0.024 0.000 1.206 193 N HN 0.433 nan 8.380 nan 0.000 0.536 194 A N 0.585 123.376 122.820 -0.047 0.000 2.567 194 A HA -0.068 4.253 4.320 0.000 0.000 0.240 194 A C -0.140 177.421 177.584 -0.038 0.000 1.053 194 A CA 0.326 52.333 52.037 -0.050 0.000 0.755 194 A CB -0.064 18.902 19.000 -0.057 0.000 0.978 194 A HN 0.595 nan 8.150 nan 0.000 0.507 195 D N 1.933 122.312 120.400 -0.035 0.000 2.336 195 D HA 0.166 4.807 4.640 0.000 0.000 0.249 195 D C 1.005 177.290 176.300 -0.024 0.000 1.213 195 D CA -0.046 53.939 54.000 -0.025 0.000 0.870 195 D CB 0.400 41.186 40.800 -0.023 0.000 1.076 195 D HN 0.544 nan 8.370 nan 0.000 0.483 196 R N 2.329 122.817 120.500 -0.020 0.000 2.310 196 R HA 0.061 4.401 4.340 0.000 0.000 0.202 196 R C 1.486 177.778 176.300 -0.013 0.000 0.933 196 R CA 0.125 56.214 56.100 -0.019 0.000 1.054 196 R CB 0.604 30.893 30.300 -0.018 0.000 0.985 196 R HN 0.288 nan 8.270 nan 0.000 0.489 197 V N -0.058 119.849 119.914 -0.011 0.000 2.672 197 V HA 0.021 4.142 4.120 0.000 0.000 0.242 197 V C 0.157 176.246 176.094 -0.009 0.000 1.059 197 V CA 0.909 63.204 62.300 -0.008 0.000 1.081 197 V CB 0.005 31.825 31.823 -0.005 0.000 0.752 197 V HN 0.260 nan 8.190 nan 0.000 0.472 198 N N 0.132 118.826 118.700 -0.011 0.000 2.762 198 N HA 0.295 5.035 4.740 0.000 0.000 0.252 198 N C -2.473 173.027 175.510 -0.017 0.000 1.269 198 N CA -1.054 51.989 53.050 -0.011 0.000 0.799 198 N CB 2.027 40.509 38.487 -0.009 0.000 1.173 198 N HN 0.082 nan 8.380 nan 0.000 0.516 199 P HA -0.269 nan 4.420 nan 0.000 0.219 199 P C 1.344 178.626 177.300 -0.029 0.000 1.144 199 P CA 1.157 64.241 63.100 -0.026 0.000 0.806 199 P CB 0.257 31.942 31.700 -0.023 0.000 0.771 200 E N -0.062 120.124 120.200 -0.023 0.000 2.208 200 E HA -0.128 4.222 4.350 0.000 0.000 0.193 200 E C 0.218 176.802 176.600 -0.027 0.000 0.988 200 E CA 0.565 56.951 56.400 -0.023 0.000 0.828 200 E CB -1.465 28.227 29.700 -0.014 0.000 0.763 200 E HN 0.361 nan 8.360 nan 0.000 0.478 201 N N 1.623 120.307 118.700 -0.026 0.000 2.412 201 N HA -0.027 4.713 4.740 0.000 0.000 0.254 201 N C -0.236 175.245 175.510 -0.049 0.000 1.232 201 N CA 0.026 53.061 53.050 -0.026 0.000 0.880 201 N CB 0.523 38.999 38.487 -0.018 0.000 1.076 201 N HN 0.069 nan 8.380 nan 0.000 0.458 202 S N 1.576 117.247 115.700 -0.048 0.000 2.563 202 S HA 0.049 4.519 4.470 0.000 0.000 0.284 202 S C 0.940 175.475 174.600 -0.109 0.000 1.331 202 S CA -0.437 57.705 58.200 -0.097 0.000 1.047 202 S CB 0.142 63.326 63.200 -0.027 0.000 0.859 202 S HN 0.538 nan 8.310 nan 0.000 0.514 203 I N 0.751 121.196 120.570 -0.209 0.000 3.936 203 I HA 0.402 4.572 4.170 0.000 0.000 0.330 203 I C 0.000 176.062 176.117 -0.093 0.000 1.509 203 I CA -0.699 60.519 61.300 -0.136 0.000 1.126 203 I CB -0.336 37.585 38.000 -0.132 0.000 1.115 203 I HN 0.527 nan 8.210 nan 0.000 0.424 204 H N 2.031 121.098 119.070 -0.005 0.000 2.652 204 H HA 0.374 4.930 4.556 0.000 0.000 0.349 204 H C -0.044 175.280 175.328 -0.007 0.000 1.099 204 H CA -0.681 55.364 56.048 -0.005 0.000 1.417 204 H CB 1.711 31.478 29.762 0.009 0.000 1.457 204 H HN 0.241 nan 8.280 nan 0.000 0.568 205 L N 2.851 124.144 121.223 0.116 0.000 2.490 205 L HA 0.070 4.410 4.340 0.000 0.000 0.274 205 L C 0.124 177.040 176.870 0.077 0.000 1.201 205 L CA 0.188 55.046 54.840 0.029 0.000 0.869 205 L CB 0.314 42.311 42.059 -0.104 0.000 1.123 205 L HN 0.772 nan 8.230 nan 0.000 0.484 206 T N 3.547 118.154 114.554 0.089 0.000 2.893 206 T HA 0.650 5.001 4.350 0.000 0.000 0.291 206 T C -0.587 174.203 174.700 0.151 0.000 1.028 206 T CA -0.875 61.294 62.100 0.114 0.000 0.995 206 T CB 1.763 70.691 68.868 0.101 0.000 1.051 206 T HN 0.740 nan 8.240 nan 0.000 0.470 207 M N 2.234 121.935 119.600 0.168 0.000 2.325 207 M HA 0.595 5.076 4.480 0.000 0.000 0.285 207 M C -1.660 174.748 176.300 0.180 0.000 1.119 207 M CA -0.706 54.718 55.300 0.206 0.000 0.959 207 M CB 1.872 34.629 32.600 0.262 0.000 1.737 207 M HN 0.957 nan 8.290 nan 0.000 0.486 208 A N 3.460 126.395 122.820 0.192 0.000 3.016 208 A HA 0.548 4.868 4.320 0.000 0.000 0.303 208 A C 1.062 178.751 177.584 0.175 0.000 1.507 208 A CA 0.168 52.304 52.037 0.165 0.000 1.196 208 A CB -0.711 18.389 19.000 0.166 0.000 1.169 208 A HN 1.177 nan 8.150 nan 0.000 0.544 209 G N 1.784 110.676 108.800 0.153 0.000 2.574 209 G HA2 -0.350 3.610 3.960 0.000 0.000 0.220 209 G HA3 -0.350 3.610 3.960 0.000 0.000 0.220 209 G C 1.326 176.302 174.900 0.126 0.000 1.173 209 G CA 1.367 46.549 45.100 0.136 0.000 0.772 209 G HN 0.677 nan 8.290 nan 0.000 0.585 210 N N 0.436 119.194 118.700 0.096 0.000 2.142 210 N HA -0.080 4.661 4.740 0.000 0.000 0.186 210 N C 2.119 177.712 175.510 0.139 0.000 1.023 210 N CA 1.307 54.407 53.050 0.083 0.000 0.852 210 N CB -0.312 38.199 38.487 0.041 0.000 0.998 210 N HN 0.618 nan 8.380 nan 0.000 0.424 211 E N 0.975 121.259 120.200 0.140 0.000 2.106 211 E HA -0.075 4.276 4.350 0.000 0.000 0.192 211 E C 1.894 178.586 176.600 0.154 0.000 0.984 211 E CA 0.498 56.989 56.400 0.152 0.000 0.806 211 E CB 0.220 30.024 29.700 0.174 0.000 0.750 211 E HN -0.026 nan 8.360 nan 0.000 0.458 212 V N 0.849 120.875 119.914 0.186 0.000 2.287 212 V HA -0.247 3.873 4.120 0.000 0.000 0.248 212 V C 2.049 178.069 176.094 -0.124 0.000 1.053 212 V CA 2.004 64.371 62.300 0.110 0.000 1.027 212 V CB -0.631 31.299 31.823 0.179 0.000 0.646 212 V HN 0.388 nan 8.190 nan 0.000 0.447 213 F N 1.943 121.799 119.950 -0.157 0.000 2.095 213 F HA -0.227 4.300 4.527 0.000 0.000 0.298 213 F C 2.419 178.057 175.800 -0.270 0.000 1.104 213 F CA 2.671 60.537 58.000 -0.223 0.000 1.232 213 F CB -0.657 38.261 39.000 -0.137 0.000 0.987 213 F HN 0.103 nan 8.300 nan 0.000 0.475 214 K N 0.238 120.628 120.400 -0.017 0.000 2.032 214 K HA -0.108 4.212 4.320 0.000 0.000 0.209 214 K C 2.053 178.448 176.600 -0.342 0.000 1.048 214 K CA 2.128 58.339 56.287 -0.128 0.000 0.927 214 K CB -1.706 30.802 32.500 0.014 0.000 0.712 214 K HN 0.307 nan 8.250 nan 0.000 0.441 215 V N 0.695 120.392 119.914 -0.361 0.000 2.453 215 V HA -0.113 4.007 4.120 0.000 0.000 0.247 215 V C 2.918 178.481 176.094 -0.886 0.000 1.048 215 V CA 1.645 63.649 62.300 -0.495 0.000 1.049 215 V CB -0.622 30.963 31.823 -0.396 0.000 0.672 215 V HN 0.679 nan 8.190 nan 0.000 0.457 216 A N -0.091 121.966 122.820 -1.271 0.000 1.902 216 A HA -0.156 4.165 4.320 0.000 0.000 0.217 216 A C 2.402 179.346 177.584 -1.066 0.000 1.181 216 A CA 2.025 52.976 52.037 -1.810 0.000 0.623 216 A CB -0.665 17.297 19.000 -1.730 0.000 0.818 216 A HN 0.327 nan 8.150 nan 0.000 0.443 217 V N -0.290 119.085 119.914 -0.899 0.000 2.295 217 V HA -0.239 3.882 4.120 0.000 0.000 0.246 217 V C 2.766 178.525 176.094 -0.558 0.000 1.049 217 V CA 2.524 64.406 62.300 -0.697 0.000 1.024 217 V CB -1.215 30.173 31.823 -0.725 0.000 0.648 217 V HN 0.618 nan 8.190 nan 0.000 0.447 218 T N -0.559 113.651 114.554 -0.573 0.000 2.674 218 T HA -0.158 4.193 4.350 0.000 0.000 0.265 218 T C 1.889 176.132 174.700 -0.762 0.000 1.039 218 T CA 1.438 63.186 62.100 -0.587 0.000 1.150 218 T CB -0.234 68.357 68.868 -0.462 0.000 0.864 218 T HN 0.429 nan 8.240 nan 0.000 0.427 219 E N 1.015 120.784 120.200 -0.717 0.000 2.152 219 E HA 0.074 4.424 4.350 0.000 0.000 0.192 219 E C 2.304 178.642 176.600 -0.437 0.000 0.983 219 E CA 0.475 56.456 56.400 -0.698 0.000 0.818 219 E CB -0.410 28.496 29.700 -1.322 0.000 0.758 219 E HN 0.449 nan 8.360 nan 0.000 0.467 220 L N 0.442 121.420 121.223 -0.407 0.000 2.093 220 L HA -0.116 4.224 4.340 0.000 0.000 0.208 220 L C 2.458 179.269 176.870 -0.098 0.000 1.085 220 L CA 0.968 55.713 54.840 -0.158 0.000 0.755 220 L CB -0.452 41.495 42.059 -0.188 0.000 0.904 220 L HN 0.059 nan 8.230 nan 0.000 0.435 221 A N -0.484 122.215 122.820 -0.201 0.000 1.877 221 A HA -0.254 4.066 4.320 0.000 0.000 0.216 221 A C 1.988 179.581 177.584 0.014 0.000 1.186 221 A CA 1.693 53.656 52.037 -0.123 0.000 0.620 221 A CB -0.963 17.916 19.000 -0.202 0.000 0.822 221 A HN 0.478 nan 8.150 nan 0.000 0.443 222 H N -1.306 117.744 119.070 -0.033 0.000 2.319 222 H HA -0.062 4.495 4.556 0.000 0.000 0.299 222 H C 2.096 177.473 175.328 0.082 0.000 1.092 222 H CA 1.319 57.379 56.048 0.021 0.000 1.302 222 H CB -0.060 29.721 29.762 0.033 0.000 1.373 222 H HN 0.482 nan 8.280 nan 0.000 0.497 223 I N 0.388 121.134 120.570 0.294 0.000 2.439 223 I HA -0.199 3.972 4.170 0.000 0.000 0.251 223 I C 1.878 178.077 176.117 0.137 0.000 1.139 223 I CA 0.541 62.018 61.300 0.296 0.000 1.438 223 I CB 0.102 38.407 38.000 0.508 0.000 1.085 223 I HN 0.066 nan 8.210 nan 0.000 0.427 224 V N 0.876 120.855 119.914 0.110 0.000 2.358 224 V HA -0.267 3.853 4.120 0.000 0.000 0.246 224 V C 2.036 178.148 176.094 0.030 0.000 1.047 224 V CA 2.025 64.362 62.300 0.062 0.000 1.035 224 V CB -0.666 31.188 31.823 0.050 0.000 0.658 224 V HN 0.415 nan 8.190 nan 0.000 0.452 225 D N -0.455 119.970 120.400 0.043 0.000 2.144 225 D HA -0.175 4.465 4.640 0.000 0.000 0.200 225 D C 2.171 178.474 176.300 0.004 0.000 0.978 225 D CA 1.336 55.353 54.000 0.028 0.000 0.833 225 D CB -0.098 40.730 40.800 0.047 0.000 0.961 225 D HN 0.578 nan 8.370 nan 0.000 0.470 226 E N 0.117 120.319 120.200 0.004 0.000 2.077 226 E HA -0.156 4.194 4.350 0.000 0.000 0.193 226 E C 1.650 178.141 176.600 -0.181 0.000 0.989 226 E CA 1.385 57.758 56.400 -0.045 0.000 0.800 226 E CB 0.138 29.842 29.700 0.007 0.000 0.746 226 E HN 0.105 nan 8.360 nan 0.000 0.452 227 T N 1.565 115.960 114.554 -0.265 0.000 2.684 227 T HA -0.168 4.183 4.350 0.000 0.000 0.267 227 T C 1.918 176.558 174.700 -0.100 0.000 1.036 227 T CA 1.409 63.295 62.100 -0.356 0.000 1.148 227 T CB -0.225 68.544 68.868 -0.164 0.000 0.863 227 T HN 0.147 nan 8.240 nan 0.000 0.436 228 L N 0.680 121.880 121.223 -0.039 0.000 1.994 228 L HA -0.071 4.269 4.340 0.000 0.000 0.208 228 L C 3.084 179.958 176.870 0.006 0.000 1.071 228 L CA 1.361 56.202 54.840 0.001 0.000 0.745 228 L CB -0.717 41.347 42.059 0.008 0.000 0.892 228 L HN 0.231 nan 8.230 nan 0.000 0.431 229 A N -0.014 122.805 122.820 -0.002 0.000 1.902 229 A HA -0.171 4.149 4.320 0.000 0.000 0.217 229 A C 2.519 180.117 177.584 0.023 0.000 1.181 229 A CA 1.687 53.730 52.037 0.010 0.000 0.623 229 A CB -0.785 18.220 19.000 0.008 0.000 0.818 229 A HN 0.410 nan 8.150 nan 0.000 0.443 230 A N 0.168 123.003 122.820 0.025 0.000 1.978 230 A HA -0.198 4.122 4.320 0.000 0.000 0.220 230 A C 1.555 179.187 177.584 0.079 0.000 1.170 230 A CA 1.798 53.879 52.037 0.074 0.000 0.636 230 A CB -0.656 18.439 19.000 0.158 0.000 0.810 230 A HN 0.681 nan 8.150 nan 0.000 0.448 231 N N -0.619 118.122 118.700 0.068 0.000 2.251 231 N HA 0.081 4.821 4.740 0.000 0.000 0.217 231 N C 0.162 175.695 175.510 0.039 0.000 1.124 231 N CA 0.104 53.191 53.050 0.061 0.000 0.843 231 N CB 0.246 38.775 38.487 0.071 0.000 1.024 231 N HN 0.368 nan 8.380 nan 0.000 0.501 232 N N 0.667 119.386 118.700 0.032 0.000 2.708 232 N HA -0.176 4.565 4.740 0.000 0.000 0.249 232 N C -1.351 174.170 175.510 0.018 0.000 1.097 232 N CA 0.711 53.774 53.050 0.022 0.000 0.710 232 N CB -1.011 37.489 38.487 0.021 0.000 1.032 232 N HN 0.339 nan 8.380 nan 0.000 0.551 233 L N -0.175 121.060 121.223 0.019 0.000 2.334 233 L HA 0.431 4.771 4.340 0.000 0.000 0.276 233 L C 0.543 177.420 176.870 0.011 0.000 1.014 233 L CA -1.008 53.841 54.840 0.016 0.000 0.815 233 L CB 1.572 43.644 42.059 0.021 0.000 1.268 233 L HN 0.074 nan 8.230 nan 0.000 0.428 234 D N 0.441 120.845 120.400 0.007 0.000 2.283 234 D HA 0.146 4.787 4.640 0.000 0.000 0.248 234 D C 1.284 177.585 176.300 0.002 0.000 1.072 234 D CA -0.465 53.537 54.000 0.003 0.000 0.929 234 D CB 1.082 41.881 40.800 -0.001 0.000 1.182 234 D HN 0.496 nan 8.370 nan 0.000 0.433 235 R N 1.048 121.548 120.500 -0.001 0.000 2.159 235 R HA -0.143 4.197 4.340 0.000 0.000 0.237 235 R C 1.437 177.730 176.300 -0.013 0.000 1.131 235 R CA 1.588 57.687 56.100 -0.003 0.000 0.982 235 R CB -0.724 29.573 30.300 -0.004 0.000 0.868 235 R HN 0.391 nan 8.270 nan 0.000 0.453 236 S N 0.476 116.166 115.700 -0.017 0.000 2.515 236 S HA -0.078 4.392 4.470 0.000 0.000 0.231 236 S C 1.566 176.147 174.600 -0.030 0.000 0.987 236 S CA 0.565 58.748 58.200 -0.028 0.000 0.936 236 S CB 0.018 63.202 63.200 -0.026 0.000 0.766 236 S HN 0.515 nan 8.310 nan 0.000 0.528 237 Q N 0.347 120.137 119.800 -0.017 0.000 2.451 237 Q HA 0.302 4.642 4.340 0.000 0.000 0.206 237 Q C -0.003 175.991 176.000 -0.011 0.000 0.947 237 Q CA 0.048 55.844 55.803 -0.012 0.000 0.937 237 Q CB -0.090 28.649 28.738 0.001 0.000 1.025 237 Q HN 0.558 nan 8.270 nan 0.000 0.511 238 L N 1.546 122.760 121.223 -0.015 0.000 2.416 238 L HA 0.011 4.351 4.340 0.000 0.000 0.272 238 L C 0.772 177.599 176.870 -0.072 0.000 1.161 238 L CA -0.092 54.743 54.840 -0.008 0.000 0.845 238 L CB 0.603 42.665 42.059 0.005 0.000 1.119 238 L HN 0.090 nan 8.230 nan 0.000 0.464 239 D N 1.643 122.001 120.400 -0.069 0.000 2.323 239 D HA 0.043 4.683 4.640 0.000 0.000 0.218 239 D C -0.447 175.504 176.300 -0.582 0.000 0.973 239 D CA 0.985 54.819 54.000 -0.275 0.000 0.890 239 D CB 0.449 41.168 40.800 -0.135 0.000 1.011 239 D HN 0.365 nan 8.370 nan 0.000 0.499 240 W N 0.515 121.826 121.300 0.019 0.000 3.138 240 W HA 0.440 5.100 4.660 -0.000 0.000 0.331 240 W C -1.131 175.403 176.519 0.025 0.000 1.166 240 W CA -0.917 56.433 57.345 0.008 0.000 1.212 240 W CB 1.413 30.865 29.460 -0.014 0.000 1.399 240 W HN -0.311 nan 8.180 nan 0.000 0.514 241 L N 3.546 124.943 121.223 0.290 0.000 2.313 241 L HA 0.776 5.116 4.340 0.000 0.000 0.283 241 L C -1.118 175.862 176.870 0.184 0.000 1.013 241 L CA -0.649 54.304 54.840 0.188 0.000 0.816 241 L CB 1.437 43.565 42.059 0.115 0.000 1.236 241 L HN 0.246 nan 8.230 nan 0.000 0.419 242 V N 7.716 127.721 119.914 0.151 0.000 2.276 242 V HA 0.431 4.551 4.120 0.000 0.000 0.268 242 V C -2.156 174.004 176.094 0.109 0.000 1.032 242 V CA -1.065 61.294 62.300 0.099 0.000 0.810 242 V CB 0.885 32.756 31.823 0.079 0.000 1.060 242 V HN 0.706 nan 8.190 nan 0.000 0.446 243 P HA 0.195 nan 4.420 nan 0.000 0.282 243 P C -0.394 176.967 177.300 0.103 0.000 1.259 243 P CA -0.412 62.749 63.100 0.103 0.000 0.826 243 P CB 0.981 32.718 31.700 0.062 0.000 1.064 244 H N 2.724 121.847 119.070 0.089 0.000 2.848 244 H HA 0.024 4.580 4.556 0.000 0.000 0.341 244 H C 0.043 175.404 175.328 0.055 0.000 1.060 244 H CA 0.215 56.319 56.048 0.094 0.000 1.444 244 H CB 0.682 30.527 29.762 0.139 0.000 1.446 244 H HN 0.311 nan 8.280 nan 0.000 0.583 245 Q N 4.842 124.299 119.800 -0.572 0.000 3.181 245 Q HA 0.138 4.478 4.340 0.000 0.000 0.293 245 Q C 0.907 176.661 176.000 -0.410 0.000 1.406 245 Q CA 0.057 55.639 55.803 -0.367 0.000 1.026 245 Q CB 0.687 29.287 28.738 -0.231 0.000 1.630 245 Q HN 0.660 nan 8.270 nan 0.000 0.553 246 A N 2.771 125.416 122.820 -0.291 0.000 1.872 246 A HA -0.078 4.242 4.320 0.000 0.000 0.214 246 A C 0.736 178.251 177.584 -0.116 0.000 1.187 246 A CA 1.650 53.616 52.037 -0.117 0.000 0.614 246 A CB 0.017 19.059 19.000 0.070 0.000 0.826 246 A HN 0.731 nan 8.150 nan 0.000 0.442 247 N N -4.591 114.060 118.700 -0.083 0.000 3.265 247 N HA 0.240 4.981 4.740 0.000 0.000 0.235 247 N C -0.385 175.095 175.510 -0.050 0.000 1.343 247 N CA -0.418 52.586 53.050 -0.076 0.000 0.904 247 N CB 0.327 38.780 38.487 -0.057 0.000 1.492 247 N HN -0.055 nan 8.380 nan 0.000 0.504 248 L N 0.114 121.298 121.223 -0.065 0.000 2.191 248 L HA 0.108 4.448 4.340 0.000 0.000 0.212 248 L C 2.825 179.684 176.870 -0.017 0.000 1.103 248 L CA 2.580 57.389 54.840 -0.051 0.000 0.769 248 L CB -1.015 41.003 42.059 -0.069 0.000 0.908 248 L HN 0.811 nan 8.230 nan 0.000 0.438 249 R N -0.267 120.241 120.500 0.014 0.000 2.073 249 R HA -0.127 4.213 4.340 0.000 0.000 0.234 249 R C 1.965 178.358 176.300 0.155 0.000 1.134 249 R CA 2.034 58.194 56.100 0.099 0.000 0.952 249 R CB -1.549 28.818 30.300 0.111 0.000 0.850 249 R HN 0.420 nan 8.270 nan 0.000 0.433 250 I N 0.817 121.471 120.570 0.141 0.000 2.142 250 I HA -0.207 3.964 4.170 0.000 0.000 0.240 250 I C 2.605 178.678 176.117 -0.073 0.000 1.078 250 I CA 1.497 62.757 61.300 -0.068 0.000 1.343 250 I CB -0.938 36.995 38.000 -0.112 0.000 1.046 250 I HN 0.267 nan 8.210 nan 0.000 0.405 251 I N 0.612 121.159 120.570 -0.037 0.000 2.163 251 I HA -0.322 3.849 4.170 0.000 0.000 0.243 251 I C 2.614 178.715 176.117 -0.027 0.000 1.085 251 I CA 1.450 62.732 61.300 -0.031 0.000 1.347 251 I CB -0.328 37.655 38.000 -0.028 0.000 1.044 251 I HN 0.160 nan 8.210 nan 0.000 0.408 252 S N 0.629 116.317 115.700 -0.021 0.000 2.382 252 S HA -0.151 4.319 4.470 0.000 0.000 0.228 252 S C 2.214 176.798 174.600 -0.026 0.000 1.027 252 S CA 1.248 59.437 58.200 -0.019 0.000 0.991 252 S CB -0.362 62.829 63.200 -0.014 0.000 0.823 252 S HN 0.557 nan 8.310 nan 0.000 0.469 253 A N 1.547 124.345 122.820 -0.036 0.000 1.873 253 A HA -0.092 4.228 4.320 0.000 0.000 0.215 253 A C 2.355 179.893 177.584 -0.076 0.000 1.186 253 A CA 1.969 53.969 52.037 -0.061 0.000 0.616 253 A CB -1.391 17.546 19.000 -0.106 0.000 0.823 253 A HN 0.463 nan 8.150 nan 0.000 0.442 254 T N 0.526 115.030 114.554 -0.084 0.000 2.684 254 T HA -0.073 4.277 4.350 0.000 0.000 0.267 254 T C 2.227 176.906 174.700 -0.036 0.000 1.036 254 T CA 1.771 63.831 62.100 -0.067 0.000 1.148 254 T CB -0.532 68.305 68.868 -0.052 0.000 0.863 254 T HN 0.599 nan 8.240 nan 0.000 0.436 255 A N 1.657 124.462 122.820 -0.025 0.000 1.908 255 A HA -0.147 4.173 4.320 0.000 0.000 0.218 255 A C 2.233 179.803 177.584 -0.024 0.000 1.181 255 A CA 2.031 54.057 52.037 -0.017 0.000 0.627 255 A CB -0.595 18.398 19.000 -0.012 0.000 0.818 255 A HN 0.505 nan 8.150 nan 0.000 0.445 256 K N 0.094 120.477 120.400 -0.028 0.000 2.063 256 K HA -0.227 4.093 4.320 0.000 0.000 0.208 256 K C 2.090 178.673 176.600 -0.029 0.000 1.048 256 K CA 1.963 58.233 56.287 -0.028 0.000 0.928 256 K CB -0.199 32.283 32.500 -0.029 0.000 0.713 256 K HN 0.418 nan 8.250 nan 0.000 0.442 257 K N 0.625 121.004 120.400 -0.035 0.000 2.283 257 K HA -0.063 4.258 4.320 0.000 0.000 0.202 257 K C 1.547 178.134 176.600 -0.021 0.000 1.048 257 K CA 0.916 57.184 56.287 -0.032 0.000 0.948 257 K CB 0.081 32.553 32.500 -0.045 0.000 0.742 257 K HN 0.198 nan 8.250 nan 0.000 0.458 258 L N -0.119 121.092 121.223 -0.019 0.000 2.607 258 L HA 0.246 4.586 4.340 0.000 0.000 0.228 258 L C 0.856 177.715 176.870 -0.019 0.000 1.123 258 L CA 0.263 55.095 54.840 -0.013 0.000 0.890 258 L CB 0.281 42.336 42.059 -0.007 0.000 1.103 258 L HN 0.500 nan 8.230 nan 0.000 0.468 259 G N 0.766 109.552 108.800 -0.023 0.000 2.225 259 G HA2 -0.320 3.641 3.960 0.000 0.000 0.267 259 G HA3 -0.320 3.641 3.960 0.000 0.000 0.267 259 G C 0.159 175.038 174.900 -0.034 0.000 1.024 259 G CA 0.241 45.325 45.100 -0.026 0.000 0.784 259 G HN 0.296 nan 8.290 nan 0.000 0.507 260 M N 0.727 120.306 119.600 -0.035 0.000 2.300 260 M HA 0.466 4.946 4.480 0.000 0.000 0.348 260 M C 0.831 177.104 176.300 -0.046 0.000 1.151 260 M CA -0.464 54.808 55.300 -0.047 0.000 1.046 260 M CB 1.871 34.445 32.600 -0.043 0.000 1.647 260 M HN 0.233 nan 8.290 nan 0.000 0.451 261 S N 2.153 117.817 115.700 -0.060 0.000 2.580 261 S HA 0.178 4.648 4.470 0.000 0.000 0.274 261 S C 1.200 175.775 174.600 -0.043 0.000 1.329 261 S CA -0.595 57.574 58.200 -0.052 0.000 1.036 261 S CB 0.649 63.811 63.200 -0.064 0.000 0.919 261 S HN 0.770 nan 8.310 nan 0.000 0.515 262 M N 2.441 122.027 119.600 -0.024 0.000 2.539 262 M HA -0.043 4.437 4.480 0.000 0.000 0.261 262 M C 0.882 177.191 176.300 0.015 0.000 1.069 262 M CA 0.903 56.202 55.300 -0.002 0.000 1.081 262 M CB -1.376 31.222 32.600 -0.004 0.000 1.412 262 M HN 0.651 nan 8.290 nan 0.000 0.482 263 D N 0.375 120.765 120.400 -0.016 0.000 2.310 263 D HA -0.090 4.550 4.640 0.000 0.000 0.212 263 D C 0.747 177.003 176.300 -0.073 0.000 0.965 263 D CA 0.890 54.883 54.000 -0.012 0.000 0.879 263 D CB -0.291 40.479 40.800 -0.050 0.000 0.921 263 D HN 0.435 nan 8.370 nan 0.000 0.510 264 N N -0.533 118.078 118.700 -0.148 0.000 2.251 264 N HA 0.099 4.839 4.740 0.000 0.000 0.217 264 N C -0.854 174.693 175.510 0.062 0.000 1.124 264 N CA -0.033 52.803 53.050 -0.357 0.000 0.843 264 N CB 1.307 39.563 38.487 -0.386 0.000 1.024 264 N HN -0.136 nan 8.380 nan 0.000 0.501 265 V N 0.740 120.778 119.914 0.207 0.000 2.604 265 V HA 0.373 4.493 4.120 0.000 0.000 0.305 265 V C -0.157 176.077 176.094 0.233 0.000 1.043 265 V CA -0.989 61.444 62.300 0.221 0.000 0.888 265 V CB 2.332 34.209 31.823 0.090 0.000 0.995 265 V HN -0.221 nan 8.190 nan 0.000 0.429 266 V N 5.234 125.243 119.914 0.157 0.000 2.385 266 V HA 0.371 4.491 4.120 0.000 0.000 0.269 266 V C -0.112 175.964 176.094 -0.030 0.000 1.043 266 V CA -0.310 61.995 62.300 0.009 0.000 0.906 266 V CB 1.439 33.201 31.823 -0.101 0.000 0.995 266 V HN 0.608 nan 8.190 nan 0.000 0.467 267 V N 4.911 124.792 119.914 -0.055 0.000 2.409 267 V HA 0.423 4.544 4.120 0.000 0.000 0.291 267 V C 0.828 176.832 176.094 -0.151 0.000 1.020 267 V CA 0.091 62.340 62.300 -0.085 0.000 0.848 267 V CB 1.657 33.446 31.823 -0.057 0.000 0.990 267 V HN 1.003 nan 8.190 nan 0.000 0.430 268 T N 0.843 115.268 114.554 -0.214 0.000 2.975 268 T HA 0.071 4.421 4.350 0.000 0.000 0.261 268 T C 1.632 176.142 174.700 -0.317 0.000 0.984 268 T CA 0.380 62.249 62.100 -0.385 0.000 0.911 268 T CB 0.038 68.513 68.868 -0.655 0.000 1.127 268 T HN 0.465 nan 8.240 nan 0.000 0.514 269 L N 1.988 123.102 121.223 -0.181 0.000 2.189 269 L HA -0.125 4.215 4.340 0.000 0.000 0.214 269 L C 2.082 178.910 176.870 -0.071 0.000 1.097 269 L CA 2.434 57.209 54.840 -0.109 0.000 0.764 269 L CB -0.849 41.143 42.059 -0.111 0.000 0.900 269 L HN 0.235 nan 8.230 nan 0.000 0.436 270 D N 0.278 120.630 120.400 -0.080 0.000 2.178 270 D HA -0.250 4.390 4.640 0.000 0.000 0.201 270 D C 1.932 178.221 176.300 -0.018 0.000 0.980 270 D CA 1.373 55.342 54.000 -0.052 0.000 0.842 270 D CB -0.237 40.530 40.800 -0.055 0.000 0.948 270 D HN 0.528 nan 8.370 nan 0.000 0.472 271 R N -1.095 119.406 120.500 0.001 0.000 2.254 271 R HA 0.212 4.552 4.340 0.000 0.000 0.193 271 R C 1.806 178.305 176.300 0.332 0.000 0.929 271 R CA 0.232 56.404 56.100 0.121 0.000 1.038 271 R CB 0.235 30.617 30.300 0.138 0.000 1.009 271 R HN 0.407 nan 8.270 nan 0.000 0.512 272 H N -0.789 118.311 119.070 0.050 0.000 2.855 272 H HA 0.252 4.808 4.556 0.000 0.000 0.259 272 H C 0.950 176.305 175.328 0.046 0.000 0.972 272 H CA -0.199 55.903 56.048 0.091 0.000 1.213 272 H CB 1.044 30.816 29.762 0.016 0.000 1.451 272 H HN 0.282 nan 8.280 nan 0.000 0.484 273 G N 2.027 110.892 108.800 0.109 0.000 2.645 273 G HA2 -0.319 3.641 3.960 0.000 0.000 0.246 273 G HA3 -0.319 3.641 3.960 0.000 0.000 0.246 273 G C -0.332 174.567 174.900 -0.002 0.000 1.322 273 G CA -0.150 44.961 45.100 0.020 0.000 0.898 273 G HN 0.427 nan 8.290 nan 0.000 0.573 274 N N 1.049 119.715 118.700 -0.056 0.000 2.500 274 N HA 0.429 5.169 4.740 0.000 0.000 0.236 274 N C 1.191 176.804 175.510 0.172 0.000 1.022 274 N CA 0.521 53.538 53.050 -0.054 0.000 0.935 274 N CB 0.622 38.953 38.487 -0.260 0.000 1.147 274 N HN 0.996 nan 8.380 nan 0.000 0.512 275 T N 0.405 115.065 114.554 0.176 0.000 3.273 275 T HA 0.160 4.510 4.350 0.000 0.000 0.254 275 T C 0.925 175.797 174.700 0.287 0.000 1.002 275 T CA 0.043 62.275 62.100 0.221 0.000 0.913 275 T CB -0.359 68.585 68.868 0.126 0.000 1.056 275 T HN 0.453 nan 8.240 nan 0.000 0.576 276 S N 1.651 117.618 115.700 0.445 0.000 4.054 276 S HA -0.387 4.083 4.470 0.000 0.000 0.618 276 S C 1.927 176.719 174.600 0.321 0.000 2.026 276 S CA 1.653 60.110 58.200 0.429 0.000 4.205 276 S CB -1.652 61.710 63.200 0.270 0.000 0.233 276 S HN 1.512 nan 8.310 nan 0.000 0.612 277 A N 0.850 123.793 122.820 0.205 0.000 2.076 277 A HA 0.247 4.567 4.320 0.000 0.000 0.220 277 A C 2.461 180.160 177.584 0.192 0.000 1.160 277 A CA 2.561 54.722 52.037 0.206 0.000 0.653 277 A CB -1.255 17.854 19.000 0.181 0.000 0.801 277 A HN 1.684 nan 8.150 nan 0.000 0.455 278 A N -1.189 121.719 122.820 0.146 0.000 2.119 278 A HA 0.118 4.438 4.320 0.000 0.000 0.216 278 A C 2.241 179.845 177.584 0.033 0.000 1.152 278 A CA 1.429 53.502 52.037 0.060 0.000 0.708 278 A CB -0.621 18.412 19.000 0.055 0.000 0.805 278 A HN 0.481 nan 8.150 nan 0.000 0.460 279 S N -0.265 115.514 115.700 0.132 0.000 2.351 279 S HA -0.164 4.307 4.470 0.000 0.000 0.220 279 S C 1.944 176.565 174.600 0.035 0.000 1.035 279 S CA 1.987 60.250 58.200 0.106 0.000 1.031 279 S CB -0.450 62.819 63.200 0.116 0.000 0.928 279 S HN 0.329 nan 8.310 nan 0.000 0.433 280 V N 3.986 123.939 119.914 0.064 0.000 2.261 280 V HA -0.089 4.031 4.120 0.000 0.000 0.246 280 V C -0.553 175.406 176.094 -0.224 0.000 1.047 280 V CA 2.079 64.371 62.300 -0.014 0.000 1.015 280 V CB -1.740 30.161 31.823 0.131 0.000 0.642 280 V HN 0.534 nan 8.190 nan 0.000 0.446 281 P HA -0.124 nan 4.420 nan 0.000 0.220 281 P C 1.716 178.859 177.300 -0.261 0.000 1.148 281 P CA 1.477 64.194 63.100 -0.637 0.000 0.803 281 P CB -0.196 30.853 31.700 -1.084 0.000 0.782 282 C N -0.029 119.177 119.300 -0.158 0.000 2.457 282 C HA 0.105 4.566 4.460 0.000 0.000 0.278 282 C C 3.186 178.154 174.990 -0.037 0.000 1.309 282 C CA 1.132 60.121 59.018 -0.049 0.000 1.735 282 C CB -1.641 26.122 27.740 0.039 0.000 1.992 282 C HN 0.251 nan 8.230 nan 0.000 0.493 283 A N 0.161 122.942 122.820 -0.065 0.000 1.898 283 A HA -0.097 4.224 4.320 0.000 0.000 0.216 283 A C 2.015 179.521 177.584 -0.131 0.000 1.181 283 A CA 1.450 53.425 52.037 -0.104 0.000 0.620 283 A CB -0.624 18.320 19.000 -0.093 0.000 0.819 283 A HN 0.477 nan 8.150 nan 0.000 0.442 284 L N 0.500 121.652 121.223 -0.119 0.000 1.994 284 L HA -0.181 4.159 4.340 0.000 0.000 0.208 284 L C 1.991 178.768 176.870 -0.155 0.000 1.071 284 L CA 2.881 57.643 54.840 -0.129 0.000 0.745 284 L CB -0.823 41.206 42.059 -0.051 0.000 0.892 284 L HN 0.476 nan 8.230 nan 0.000 0.431 285 D N -0.702 119.629 120.400 -0.114 0.000 2.116 285 D HA -0.296 4.344 4.640 0.000 0.000 0.193 285 D C 2.146 178.375 176.300 -0.118 0.000 0.998 285 D CA 1.706 55.648 54.000 -0.097 0.000 0.836 285 D CB -0.117 40.641 40.800 -0.069 0.000 0.951 285 D HN 0.591 nan 8.370 nan 0.000 0.449 286 E N -0.725 119.405 120.200 -0.117 0.000 2.085 286 E HA -0.203 4.147 4.350 0.000 0.000 0.194 286 E C 1.904 178.391 176.600 -0.189 0.000 0.994 286 E CA 1.181 57.506 56.400 -0.126 0.000 0.801 286 E CB -0.215 29.417 29.700 -0.114 0.000 0.743 286 E HN 0.341 nan 8.360 nan 0.000 0.453 287 A N 0.157 122.818 122.820 -0.265 0.000 2.016 287 A HA -0.032 4.288 4.320 0.000 0.000 0.217 287 A C 2.261 179.607 177.584 -0.397 0.000 1.162 287 A CA 0.784 52.581 52.037 -0.399 0.000 0.662 287 A CB -0.108 18.548 19.000 -0.574 0.000 0.812 287 A HN 0.219 nan 8.150 nan 0.000 0.450 288 V N -0.232 119.486 119.914 -0.327 0.000 2.407 288 V HA -0.157 3.964 4.120 0.000 0.000 0.245 288 V C 2.507 178.492 176.094 -0.182 0.000 1.041 288 V CA 1.888 64.016 62.300 -0.286 0.000 1.040 288 V CB -0.641 31.039 31.823 -0.238 0.000 0.671 288 V HN 0.508 nan 8.190 nan 0.000 0.455 289 R N 0.883 121.294 120.500 -0.147 0.000 2.189 289 R HA -0.098 4.242 4.340 0.000 0.000 0.218 289 R C 1.399 177.641 176.300 -0.096 0.000 1.074 289 R CA 1.356 57.396 56.100 -0.101 0.000 0.991 289 R CB -0.175 30.078 30.300 -0.078 0.000 0.883 289 R HN 0.742 nan 8.270 nan 0.000 0.457 290 D N -1.571 118.754 120.400 -0.125 0.000 2.368 290 D HA 0.094 4.734 4.640 0.000 0.000 0.218 290 D C 0.988 177.228 176.300 -0.101 0.000 1.112 290 D CA 0.477 54.416 54.000 -0.101 0.000 0.834 290 D CB 0.522 41.262 40.800 -0.101 0.000 0.953 290 D HN 0.156 nan 8.370 nan 0.000 0.505 291 G N 0.773 109.501 108.800 -0.120 0.000 2.179 291 G HA2 -0.407 3.554 3.960 0.000 0.000 0.260 291 G HA3 -0.407 3.554 3.960 0.000 0.000 0.260 291 G C 1.263 176.097 174.900 -0.110 0.000 0.977 291 G CA 0.314 45.357 45.100 -0.095 0.000 0.641 291 G HN 0.405 nan 8.290 nan 0.000 0.533 292 R N -0.349 120.020 120.500 -0.219 0.000 2.066 292 R HA 0.156 4.496 4.340 0.000 0.000 0.232 292 R C 1.245 177.347 176.300 -0.329 0.000 1.131 292 R CA 1.109 57.033 56.100 -0.293 0.000 0.955 292 R CB -0.081 29.794 30.300 -0.709 0.000 0.851 292 R HN 0.500 nan 8.270 nan 0.000 0.432 293 I N 2.280 122.529 120.570 -0.535 0.000 2.322 293 I HA 0.055 4.225 4.170 0.000 0.000 0.292 293 I C -0.208 175.807 176.117 -0.170 0.000 1.060 293 I CA 0.132 61.167 61.300 -0.442 0.000 1.309 293 I CB 0.983 38.554 38.000 -0.715 0.000 1.415 293 I HN 0.032 nan 8.210 nan 0.000 0.492 294 K N 7.033 127.455 120.400 0.037 0.000 2.185 294 K HA 0.528 4.848 4.320 0.000 0.000 0.240 294 K C -2.513 174.153 176.600 0.110 0.000 0.983 294 K CA -1.886 54.438 56.287 0.062 0.000 0.873 294 K CB 0.784 33.342 32.500 0.097 0.000 1.118 294 K HN 0.166 nan 8.250 nan 0.000 0.441 295 P HA -0.075 nan 4.420 nan 0.000 0.264 295 P C 0.502 177.874 177.300 0.120 0.000 1.183 295 P CA 1.211 64.386 63.100 0.126 0.000 0.763 295 P CB 0.442 32.195 31.700 0.087 0.000 0.807 296 G N 1.679 110.559 108.800 0.133 0.000 2.241 296 G HA2 -0.242 3.718 3.960 0.000 0.000 0.244 296 G HA3 -0.242 3.718 3.960 0.000 0.000 0.244 296 G C 0.172 175.149 174.900 0.128 0.000 0.998 296 G CA -0.328 44.834 45.100 0.104 0.000 0.621 296 G HN 0.568 nan 8.290 nan 0.000 0.519 297 Q N 0.021 119.930 119.800 0.182 0.000 2.354 297 Q HA 0.600 4.940 4.340 0.000 0.000 0.244 297 Q C 0.058 176.208 176.000 0.250 0.000 0.969 297 Q CA -0.247 55.679 55.803 0.204 0.000 0.885 297 Q CB 1.524 30.423 28.738 0.268 0.000 1.241 297 Q HN 0.341 nan 8.270 nan 0.000 0.461 298 L N 2.758 124.099 121.223 0.197 0.000 2.264 298 L HA 0.427 4.767 4.340 0.000 0.000 0.289 298 L C -1.182 175.835 176.870 0.246 0.000 1.044 298 L CA -0.600 54.354 54.840 0.189 0.000 0.807 298 L CB 1.209 43.332 42.059 0.107 0.000 1.192 298 L HN 0.398 nan 8.230 nan 0.000 0.425 299 V N 5.608 125.706 119.914 0.307 0.000 2.540 299 V HA 0.359 4.479 4.120 0.000 0.000 0.302 299 V C -0.410 175.838 176.094 0.258 0.000 1.035 299 V CA -0.715 61.781 62.300 0.327 0.000 0.873 299 V CB 2.203 34.272 31.823 0.410 0.000 0.992 299 V HN 0.509 nan 8.190 nan 0.000 0.428 300 L N 6.579 127.931 121.223 0.216 0.000 2.287 300 L HA 0.648 4.989 4.340 0.000 0.000 0.287 300 L C -0.759 176.224 176.870 0.189 0.000 1.022 300 L CA 0.156 55.104 54.840 0.181 0.000 0.814 300 L CB 1.035 43.177 42.059 0.137 0.000 1.217 300 L HN 0.537 nan 8.230 nan 0.000 0.420 301 L N 4.860 126.204 121.223 0.202 0.000 2.325 301 L HA 0.753 5.093 4.340 0.000 0.000 0.278 301 L C -0.667 176.329 176.870 0.210 0.000 1.023 301 L CA -0.692 54.276 54.840 0.214 0.000 0.811 301 L CB 1.765 43.979 42.059 0.259 0.000 1.249 301 L HN 0.707 nan 8.230 nan 0.000 0.431 302 E N 1.742 122.072 120.200 0.217 0.000 2.412 302 E HA 0.899 5.250 4.350 0.000 0.000 0.279 302 E C -1.518 175.243 176.600 0.268 0.000 0.984 302 E CA -0.940 55.599 56.400 0.231 0.000 0.788 302 E CB 2.125 31.944 29.700 0.198 0.000 1.277 302 E HN 0.693 nan 8.360 nan 0.000 0.455 303 A N 0.840 123.836 122.820 0.293 0.000 2.608 303 A HA 0.764 5.084 4.320 0.000 0.000 0.292 303 A C -2.058 175.723 177.584 0.329 0.000 1.066 303 A CA -0.819 51.394 52.037 0.293 0.000 0.676 303 A CB 1.186 20.314 19.000 0.215 0.000 1.277 303 A HN 0.720 nan 8.150 nan 0.000 0.413 304 F N 0.377 120.362 119.950 0.057 0.000 2.588 304 F HA 0.794 5.322 4.527 0.000 0.000 0.310 304 F C 0.208 175.975 175.800 -0.056 0.000 1.082 304 F CA 0.594 58.626 58.000 0.053 0.000 0.929 304 F CB 2.169 41.119 39.000 -0.083 0.000 1.254 304 F HN 1.240 nan 8.300 nan 0.000 0.455 305 G N 1.682 110.180 108.800 -0.503 0.000 2.606 305 G HA2 0.462 4.422 3.960 0.000 0.000 0.300 305 G HA3 0.462 4.422 3.960 0.000 0.000 0.300 305 G C -0.773 173.997 174.900 -0.217 0.000 1.360 305 G CA -0.363 44.599 45.100 -0.231 0.000 0.783 305 G HN 1.000 nan 8.290 nan 0.000 0.484 306 G N -1.560 107.270 108.800 0.051 0.000 2.391 306 G HA2 0.506 4.467 3.960 0.000 0.000 0.234 306 G HA3 0.506 4.467 3.960 0.000 0.000 0.234 306 G C 1.037 176.036 174.900 0.165 0.000 1.284 306 G CA 1.218 46.441 45.100 0.204 0.000 0.873 306 G HN 2.038 nan 8.290 nan 0.000 0.549 307 G N 0.922 109.880 108.800 0.263 0.000 4.241 307 G HA2 -0.100 3.861 3.960 0.000 0.000 0.193 307 G HA3 -0.100 3.861 3.960 0.000 0.000 0.193 307 G C 0.143 175.143 174.900 0.167 0.000 1.789 307 G CA -0.508 44.687 45.100 0.159 0.000 1.025 307 G HN 0.530 nan 8.290 nan 0.000 0.346 308 F N 3.214 123.290 119.950 0.210 0.000 2.450 308 F HA 0.595 5.122 4.527 0.001 0.000 0.339 308 F C 1.171 177.039 175.800 0.113 0.000 1.146 308 F CA 0.066 58.118 58.000 0.086 0.000 1.267 308 F CB 1.189 40.273 39.000 0.140 0.000 1.178 308 F HN 0.356 nan 8.300 nan 0.000 0.585 309 T N -0.411 114.222 114.554 0.132 0.000 2.909 309 T HA 0.738 5.088 4.350 0.000 0.000 0.299 309 T C -1.366 173.475 174.700 0.236 0.000 1.073 309 T CA -0.919 61.244 62.100 0.104 0.000 0.999 309 T CB 1.868 70.667 68.868 -0.115 0.000 1.098 309 T HN 0.693 nan 8.240 nan 0.000 0.477 310 W N -0.062 121.316 121.300 0.131 0.000 3.213 310 W HA 0.819 5.479 4.660 0.000 0.000 0.318 310 W C -0.705 175.969 176.519 0.258 0.000 1.248 310 W CA -1.125 56.323 57.345 0.173 0.000 1.187 310 W CB 0.995 30.608 29.460 0.255 0.000 1.403 310 W HN 1.064 nan 8.180 nan 0.000 0.556 311 G N 0.663 109.699 108.800 0.393 0.000 2.649 311 G HA2 0.747 4.707 3.960 0.000 0.000 0.290 311 G HA3 0.747 4.707 3.960 0.000 0.000 0.290 311 G C -1.327 173.712 174.900 0.232 0.000 1.426 311 G CA -0.426 44.789 45.100 0.193 0.000 0.794 311 G HN 1.389 nan 8.290 nan 0.000 0.483 312 S N -1.767 114.037 115.700 0.173 0.000 2.615 312 S HA 0.933 5.404 4.470 0.000 0.000 0.269 312 S C -0.852 173.853 174.600 0.175 0.000 1.161 312 S CA -0.057 58.263 58.200 0.200 0.000 0.817 312 S CB 1.632 64.961 63.200 0.215 0.000 1.131 312 S HN 2.482 nan 8.310 nan 0.000 0.467 313 A N 0.484 123.414 122.820 0.183 0.000 2.517 313 A HA 0.757 5.077 4.320 0.000 0.000 0.297 313 A C -1.772 175.912 177.584 0.167 0.000 1.050 313 A CA -0.584 51.545 52.037 0.153 0.000 0.694 313 A CB 1.543 20.617 19.000 0.123 0.000 1.277 313 A HN 1.349 nan 8.150 nan 0.000 0.400 314 L N 2.891 124.203 121.223 0.149 0.000 2.305 314 L HA 0.756 5.096 4.340 0.000 0.000 0.284 314 L C -1.148 175.781 176.870 0.097 0.000 1.013 314 L CA -0.264 54.657 54.840 0.136 0.000 0.819 314 L CB 1.576 43.715 42.059 0.132 0.000 1.227 314 L HN 0.483 nan 8.230 nan 0.000 0.417 315 V N 4.938 124.921 119.914 0.115 0.000 2.588 315 V HA 0.554 4.674 4.120 0.000 0.000 0.304 315 V C -0.301 175.826 176.094 0.055 0.000 1.042 315 V CA -0.796 61.517 62.300 0.022 0.000 0.877 315 V CB 1.755 33.553 31.823 -0.041 0.000 0.996 315 V HN 0.708 nan 8.190 nan 0.000 0.425 316 R N 3.258 123.725 120.500 -0.054 0.000 2.215 316 R HA 0.583 4.923 4.340 0.000 0.000 0.336 316 R C -1.052 175.207 176.300 -0.069 0.000 0.996 316 R CA -0.165 55.942 56.100 0.011 0.000 0.847 316 R CB 0.370 30.654 30.300 -0.027 0.000 1.127 316 R HN 0.522 nan 8.270 nan 0.000 0.465 317 F N 0.000 119.983 119.950 0.055 0.000 2.286 317 F HA 0.000 4.527 4.527 0.000 0.000 0.279 317 F CA 0.000 58.030 58.000 0.050 0.000 1.383 317 F CB 0.000 39.033 39.000 0.056 0.000 1.145 317 F HN 0.000 nan 8.300 nan 0.000 0.574