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 2drh_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKAQELGIKI GVFKPGKRNK ITDVKGVKVG HVTLIKGKGK LIPGKGPVRT DATA SEQUENCE GVTAILPHEG NIYKEKVLAG AFVMNGYSKP VGLIQLWELG TIETPIILTN DATA SEQUENCE TLSIGTAVEG LLDYILEENE DIGVTTGSVN PLVLECNDSY LNDIRGRHVK DATA SEQUENCE REHVVEAIKR ADEDFEEGAV GAGTGMSAFE FKGGIGSASR IVEIEGKKYT DATA SEQUENCE VGALVLSNFG RREDLTIAGV PVGLELKNWP GRGXXXXXSI IMIIATDAPL DATA SEQUENCE TGRQLNRVAK RAIVGLARTG GYAYNGSGDI AVAFSTANRI KHYEKEVIEI DATA SEQUENCE KALPDSVISP LFKATAEAVE EAIINSLLEA RTMDGRDNHV RYALPKEELL DATA SEQUENCE RIMRRYGRL 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 0.000 176.279 176.300 -0.036 0.000 1.140 1 M CA 0.000 55.279 55.300 -0.035 0.000 0.988 1 M CB 0.000 32.580 32.600 -0.033 0.000 1.302 2 K N 0.652 121.031 120.400 -0.034 0.000 2.166 2 K HA 0.817 5.137 4.320 -0.000 0.000 0.245 2 K C 0.865 177.448 176.600 -0.029 0.000 0.967 2 K CA -0.039 56.231 56.287 -0.029 0.000 0.863 2 K CB 1.322 33.806 32.500 -0.026 0.000 1.107 2 K HN 0.737 nan 8.250 nan 0.000 0.436 3 A N 1.547 124.351 122.820 -0.026 0.000 1.948 3 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 3 A C 1.855 179.425 177.584 -0.023 0.000 1.177 3 A CA 1.553 53.573 52.037 -0.029 0.000 0.636 3 A CB -0.328 18.658 19.000 -0.023 0.000 0.815 3 A HN 0.682 nan 8.150 nan 0.000 0.449 4 Q N -0.078 119.713 119.800 -0.016 0.000 1.985 4 Q HA -0.232 4.108 4.340 -0.000 0.000 0.207 4 Q C 1.680 177.670 176.000 -0.016 0.000 0.996 4 Q CA 2.020 57.815 55.803 -0.012 0.000 0.851 4 Q CB -0.791 27.942 28.738 -0.008 0.000 0.921 4 Q HN 0.797 nan 8.270 nan 0.000 0.418 5 E N 0.441 120.629 120.200 -0.019 0.000 2.501 5 E HA -0.090 4.260 4.350 -0.000 0.000 0.203 5 E C 1.365 177.951 176.600 -0.023 0.000 1.072 5 E CA 0.487 56.875 56.400 -0.020 0.000 0.885 5 E CB -0.166 29.520 29.700 -0.022 0.000 0.813 5 E HN 0.275 nan 8.360 nan 0.000 0.556 6 L N -1.539 119.668 121.223 -0.027 0.000 2.766 6 L HA 0.280 4.620 4.340 -0.000 0.000 0.242 6 L C 1.281 178.135 176.870 -0.027 0.000 1.136 6 L CA 0.233 55.054 54.840 -0.031 0.000 0.933 6 L CB 0.344 42.377 42.059 -0.044 0.000 1.241 6 L HN 0.340 nan 8.230 nan 0.000 0.522 7 G N 1.128 109.915 108.800 -0.021 0.000 2.179 7 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 7 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 7 G C 0.365 175.253 174.900 -0.019 0.000 0.977 7 G CA -0.101 44.988 45.100 -0.017 0.000 0.641 7 G HN 0.291 nan 8.290 nan 0.000 0.533 8 I N 1.430 121.985 120.570 -0.025 0.000 2.505 8 I HA 0.196 4.366 4.170 -0.000 0.000 0.287 8 I C 0.555 176.660 176.117 -0.020 0.000 1.104 8 I CA 0.280 61.564 61.300 -0.028 0.000 1.387 8 I CB 0.627 38.603 38.000 -0.040 0.000 1.404 8 I HN 0.028 nan 8.210 nan 0.000 0.528 9 K N 7.748 128.137 120.400 -0.017 0.000 2.213 9 K HA 0.648 4.967 4.320 -0.000 0.000 0.270 9 K C -0.767 175.826 176.600 -0.013 0.000 1.002 9 K CA -0.358 55.922 56.287 -0.012 0.000 0.868 9 K CB 1.743 34.235 32.500 -0.013 0.000 1.093 9 K HN 0.492 nan 8.250 nan 0.000 0.454 10 I N 2.523 123.091 120.570 -0.004 0.000 2.447 10 I HA 0.378 4.547 4.170 -0.000 0.000 0.287 10 I C 0.399 176.522 176.117 0.011 0.000 1.023 10 I CA -0.190 61.111 61.300 0.001 0.000 1.083 10 I CB 1.753 39.758 38.000 0.008 0.000 1.245 10 I HN 0.892 nan 8.210 nan 0.000 0.434 11 G N 4.165 112.963 108.800 -0.002 0.000 2.725 11 G HA2 -0.141 3.818 3.960 -0.000 0.000 0.220 11 G HA3 -0.141 3.818 3.960 -0.000 0.000 0.220 11 G C 0.148 175.010 174.900 -0.064 0.000 1.357 11 G CA -0.183 44.909 45.100 -0.012 0.000 0.866 11 G HN 1.045 nan 8.290 nan 0.000 0.548 12 V N -3.702 116.115 119.914 -0.162 0.000 3.502 12 V HA 0.641 4.761 4.120 -0.000 0.000 0.288 12 V C 0.780 176.720 176.094 -0.256 0.000 1.461 12 V CA 0.400 62.555 62.300 -0.242 0.000 1.029 12 V CB -0.190 31.417 31.823 -0.359 0.000 0.843 12 V HN 0.825 nan 8.190 nan 0.000 0.438 13 F N 3.044 123.000 119.950 0.010 0.000 2.371 13 F HA 0.618 5.145 4.527 0.000 0.000 0.329 13 F C 0.864 176.669 175.800 0.009 0.000 1.107 13 F CA -1.257 56.750 58.000 0.011 0.000 1.137 13 F CB 1.150 40.161 39.000 0.017 0.000 1.214 13 F HN 0.119 nan 8.300 nan 0.000 0.536 14 K N 3.485 124.022 120.400 0.229 0.000 2.185 14 K HA 0.456 4.776 4.320 -0.000 0.000 0.271 14 K C -2.895 173.767 176.600 0.103 0.000 1.013 14 K CA -1.597 54.762 56.287 0.120 0.000 0.943 14 K CB 0.739 33.290 32.500 0.085 0.000 0.998 14 K HN 0.231 nan 8.250 nan 0.000 0.468 15 P HA 0.069 nan 4.420 nan 0.000 0.277 15 P C -0.055 177.266 177.300 0.037 0.000 1.271 15 P CA -0.319 62.812 63.100 0.052 0.000 0.795 15 P CB 0.667 32.391 31.700 0.040 0.000 1.101 16 G N 0.295 109.113 108.800 0.030 0.000 2.621 16 G HA2 0.102 4.061 3.960 -0.000 0.000 0.271 16 G HA3 0.102 4.061 3.960 -0.000 0.000 0.271 16 G C 0.897 175.807 174.900 0.018 0.000 1.236 16 G CA -0.494 44.620 45.100 0.023 0.000 0.958 16 G HN 0.389 nan 8.290 nan 0.000 0.512 17 K N -0.424 119.985 120.400 0.015 0.000 2.044 17 K HA -0.156 4.164 4.320 -0.000 0.000 0.210 17 K C 2.476 179.078 176.600 0.003 0.000 1.049 17 K CA 1.611 57.904 56.287 0.009 0.000 0.927 17 K CB -0.080 32.425 32.500 0.009 0.000 0.713 17 K HN 0.369 nan 8.250 nan 0.000 0.443 18 R N 0.102 120.605 120.500 0.004 0.000 2.254 18 R HA 0.052 4.392 4.340 -0.000 0.000 0.195 18 R C 0.331 176.619 176.300 -0.021 0.000 0.957 18 R CA 0.209 56.300 56.100 -0.014 0.000 1.024 18 R CB -0.151 30.141 30.300 -0.013 0.000 0.952 18 R HN 0.185 nan 8.270 nan 0.000 0.484 19 N N 1.451 120.153 118.700 0.004 0.000 2.738 19 N HA -0.183 4.556 4.740 -0.000 0.000 0.249 19 N C -1.478 174.042 175.510 0.016 0.000 1.047 19 N CA 0.968 54.025 53.050 0.012 0.000 0.707 19 N CB -0.688 37.800 38.487 0.002 0.000 0.937 19 N HN 0.301 nan 8.380 nan 0.000 0.545 20 K N -0.196 120.232 120.400 0.047 0.000 2.536 20 K HA 0.375 4.695 4.320 -0.000 0.000 0.269 20 K C 1.074 177.781 176.600 0.179 0.000 0.965 20 K CA -0.707 55.653 56.287 0.121 0.000 0.860 20 K CB 1.093 33.624 32.500 0.051 0.000 1.423 20 K HN 0.032 nan 8.250 nan 0.000 0.438 21 I N 1.268 121.990 120.570 0.254 0.000 2.423 21 I HA -0.255 3.915 4.170 -0.000 0.000 0.254 21 I C 1.602 177.803 176.117 0.139 0.000 1.151 21 I CA 1.930 63.318 61.300 0.148 0.000 1.421 21 I CB 0.127 38.187 38.000 0.100 0.000 1.079 21 I HN 0.803 nan 8.210 nan 0.000 0.431 22 T N -3.077 111.612 114.554 0.225 0.000 3.163 22 T HA -0.069 4.281 4.350 -0.000 0.000 0.260 22 T C 1.292 176.063 174.700 0.119 0.000 1.156 22 T CA 0.523 62.728 62.100 0.175 0.000 1.072 22 T CB -0.461 68.552 68.868 0.240 0.000 0.937 22 T HN 0.319 nan 8.240 nan 0.000 0.528 23 D N 1.218 121.677 120.400 0.098 0.000 2.348 23 D HA 0.031 4.671 4.640 -0.000 0.000 0.216 23 D C 0.301 176.635 176.300 0.056 0.000 0.970 23 D CA 0.319 54.358 54.000 0.064 0.000 0.889 23 D CB 0.100 40.929 40.800 0.049 0.000 0.912 23 D HN 0.312 nan 8.370 nan 0.000 0.524 24 V N 4.476 124.427 119.914 0.062 0.000 2.370 24 V HA -0.020 4.099 4.120 -0.000 0.000 0.257 24 V C 0.641 176.784 176.094 0.081 0.000 1.064 24 V CA -0.899 61.436 62.300 0.058 0.000 0.975 24 V CB 0.469 32.314 31.823 0.037 0.000 1.067 24 V HN 0.108 nan 8.190 nan 0.000 0.485 25 K N 4.312 124.755 120.400 0.072 0.000 2.504 25 K HA 0.052 4.372 4.320 -0.000 0.000 0.278 25 K C 0.961 177.619 176.600 0.096 0.000 1.025 25 K CA 1.068 57.399 56.287 0.074 0.000 1.093 25 K CB -0.186 32.349 32.500 0.058 0.000 0.873 25 K HN 1.075 nan 8.250 nan 0.000 0.483 26 G N 1.666 110.525 108.800 0.098 0.000 2.308 26 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.221 26 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.221 26 G C -0.072 174.904 174.900 0.126 0.000 1.032 26 G CA -0.090 45.083 45.100 0.121 0.000 0.623 26 G HN 0.610 nan 8.290 nan 0.000 0.506 27 V N 1.927 121.920 119.914 0.132 0.000 2.655 27 V HA 0.490 4.610 4.120 -0.000 0.000 0.300 27 V C 0.526 176.661 176.094 0.068 0.000 1.044 27 V CA 0.641 63.016 62.300 0.125 0.000 1.095 27 V CB 1.296 33.217 31.823 0.162 0.000 0.952 27 V HN 0.451 nan 8.190 nan 0.000 0.485 28 K N 3.096 123.502 120.400 0.009 0.000 2.469 28 K HA 0.786 5.106 4.320 -0.000 0.000 0.254 28 K C -1.722 174.788 176.600 -0.150 0.000 0.939 28 K CA -0.738 55.529 56.287 -0.034 0.000 0.812 28 K CB 2.690 35.176 32.500 -0.023 0.000 1.301 28 K HN 0.372 nan 8.250 nan 0.000 0.433 29 V N 1.036 120.810 119.914 -0.234 0.000 2.588 29 V HA 0.696 4.816 4.120 -0.000 0.000 0.304 29 V C -0.182 175.680 176.094 -0.387 0.000 1.042 29 V CA -0.772 61.248 62.300 -0.467 0.000 0.877 29 V CB 1.893 33.044 31.823 -1.119 0.000 0.996 29 V HN 0.937 nan 8.190 nan 0.000 0.425 30 G N 2.360 110.921 108.800 -0.398 0.000 2.571 30 G HA2 0.751 4.711 3.960 -0.000 0.000 0.304 30 G HA3 0.751 4.711 3.960 -0.000 0.000 0.304 30 G C -1.435 173.267 174.900 -0.329 0.000 1.314 30 G CA -0.408 44.513 45.100 -0.298 0.000 0.975 30 G HN 0.616 nan 8.290 nan 0.000 0.485 31 H N -0.478 118.584 119.070 -0.014 0.000 2.797 31 H HA 0.699 5.255 4.556 -0.000 0.000 0.372 31 H C -1.046 174.268 175.328 -0.022 0.000 1.168 31 H CA -0.692 55.349 56.048 -0.012 0.000 1.163 31 H CB 2.484 32.258 29.762 0.021 0.000 1.778 31 H HN 0.308 nan 8.280 nan 0.000 0.551 32 V N 2.106 122.085 119.914 0.108 0.000 2.567 32 V HA 0.199 4.319 4.120 -0.000 0.000 0.298 32 V C -0.357 175.706 176.094 -0.052 0.000 1.047 32 V CA -0.587 61.708 62.300 -0.009 0.000 0.880 32 V CB 1.928 33.717 31.823 -0.057 0.000 1.009 32 V HN 0.805 nan 8.190 nan 0.000 0.429 33 T N 6.718 121.231 114.554 -0.068 0.000 2.794 33 T HA 0.689 5.039 4.350 -0.000 0.000 0.280 33 T C -0.409 174.230 174.700 -0.102 0.000 0.987 33 T CA -0.324 61.730 62.100 -0.076 0.000 0.993 33 T CB 1.040 69.874 68.868 -0.057 0.000 0.939 33 T HN 0.378 nan 8.240 nan 0.000 0.449 34 L N 4.790 125.958 121.223 -0.090 0.000 2.345 34 L HA 0.594 4.934 4.340 -0.000 0.000 0.274 34 L C -0.706 176.128 176.870 -0.060 0.000 0.999 34 L CA -0.558 54.231 54.840 -0.086 0.000 0.849 34 L CB 0.790 42.802 42.059 -0.078 0.000 1.220 34 L HN 0.503 nan 8.230 nan 0.000 0.422 35 I N 4.106 124.640 120.570 -0.059 0.000 2.447 35 I HA 0.514 4.684 4.170 -0.000 0.000 0.287 35 I C -0.549 175.531 176.117 -0.062 0.000 1.023 35 I CA -0.555 60.711 61.300 -0.056 0.000 1.083 35 I CB 2.198 40.172 38.000 -0.042 0.000 1.245 35 I HN 0.539 nan 8.210 nan 0.000 0.434 36 K N 5.090 125.442 120.400 -0.079 0.000 2.589 36 K HA 0.608 4.928 4.320 -0.000 0.000 0.265 36 K C -0.539 176.007 176.600 -0.090 0.000 0.935 36 K CA -0.049 56.190 56.287 -0.080 0.000 0.850 36 K CB 2.251 34.697 32.500 -0.090 0.000 1.372 36 K HN 0.883 nan 8.250 nan 0.000 0.420 37 G N 2.490 111.249 108.800 -0.069 0.000 2.795 37 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.664 37 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.664 37 G C -1.468 173.396 174.900 -0.060 0.000 1.381 37 G CA 0.015 45.076 45.100 -0.065 0.000 0.853 37 G HN 0.956 nan 8.290 nan 0.000 0.545 38 K N -0.866 119.500 120.400 -0.057 0.000 2.642 38 K HA 0.790 5.110 4.320 -0.000 0.000 0.290 38 K C 0.536 177.101 176.600 -0.059 0.000 1.006 38 K CA 0.067 56.321 56.287 -0.056 0.000 0.869 38 K CB 1.311 33.785 32.500 -0.044 0.000 1.499 38 K HN 2.729 nan 8.250 nan 0.000 0.403 39 G N 0.949 109.710 108.800 -0.066 0.000 2.584 39 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.229 39 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.229 39 G C -0.956 173.889 174.900 -0.092 0.000 1.320 39 G CA -0.210 44.849 45.100 -0.070 0.000 0.891 39 G HN 0.695 nan 8.290 nan 0.000 0.573 40 K N -0.306 120.045 120.400 -0.082 0.000 2.600 40 K HA 0.016 4.336 4.320 -0.000 0.000 0.280 40 K C 0.571 177.117 176.600 -0.090 0.000 0.971 40 K CA 0.006 56.239 56.287 -0.089 0.000 1.053 40 K CB 0.283 32.746 32.500 -0.060 0.000 0.856 40 K HN 0.891 nan 8.250 nan 0.000 0.495 41 L N 5.403 126.563 121.223 -0.105 0.000 2.360 41 L HA 0.223 4.563 4.340 -0.000 0.000 0.276 41 L C -0.152 176.692 176.870 -0.044 0.000 1.121 41 L CA 0.531 55.322 54.840 -0.082 0.000 0.845 41 L CB 0.314 42.315 42.059 -0.097 0.000 1.143 41 L HN 0.440 nan 8.230 nan 0.000 0.452 42 I N 8.201 128.757 120.570 -0.023 0.000 2.555 42 I HA 0.276 4.446 4.170 -0.000 0.000 0.275 42 I C -2.059 174.070 176.117 0.020 0.000 1.082 42 I CA -1.816 59.481 61.300 -0.005 0.000 1.167 42 I CB 1.114 39.111 38.000 -0.005 0.000 1.312 42 I HN 0.532 nan 8.210 nan 0.000 0.493 43 P HA -0.066 nan 4.420 nan 0.000 0.255 43 P C 0.930 178.252 177.300 0.037 0.000 1.161 43 P CA 1.210 64.327 63.100 0.028 0.000 0.768 43 P CB 0.625 32.331 31.700 0.010 0.000 0.746 44 G N 3.097 111.934 108.800 0.062 0.000 2.232 44 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.226 44 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.226 44 G C 0.845 175.849 174.900 0.173 0.000 0.996 44 G CA 0.488 45.618 45.100 0.050 0.000 0.626 44 G HN 0.619 nan 8.290 nan 0.000 0.509 45 K N -0.013 120.492 120.400 0.175 0.000 2.325 45 K HA 0.535 4.855 4.320 -0.000 0.000 0.203 45 K C 1.143 177.768 176.600 0.042 0.000 1.128 45 K CA 1.538 57.909 56.287 0.140 0.000 0.931 45 K CB 0.668 33.198 32.500 0.050 0.000 1.125 45 K HN 1.424 nan 8.250 nan 0.000 0.487 46 G N 0.418 109.234 108.800 0.028 0.000 2.345 46 G HA2 0.126 4.085 3.960 -0.000 0.000 0.285 46 G HA3 0.126 4.085 3.960 -0.000 0.000 0.285 46 G C -3.110 171.764 174.900 -0.044 0.000 1.297 46 G CA -1.110 43.944 45.100 -0.077 0.000 0.875 46 G HN -0.094 nan 8.290 nan 0.000 0.506 47 P HA 0.359 nan 4.420 nan 0.000 0.267 47 P C -0.283 176.947 177.300 -0.117 0.000 1.200 47 P CA -0.197 62.844 63.100 -0.098 0.000 0.772 47 P CB 1.384 33.033 31.700 -0.084 0.000 0.855 48 V N 4.993 124.804 119.914 -0.172 0.000 2.384 48 V HA 0.493 4.613 4.120 -0.000 0.000 0.287 48 V C -0.445 175.601 176.094 -0.078 0.000 1.020 48 V CA -0.424 61.768 62.300 -0.180 0.000 0.850 48 V CB 0.368 31.961 31.823 -0.384 0.000 0.987 48 V HN 0.371 nan 8.190 nan 0.000 0.436 49 R N 4.817 125.306 120.500 -0.019 0.000 2.687 49 R HA 0.413 4.753 4.340 -0.000 0.000 0.264 49 R C -0.428 175.885 176.300 0.022 0.000 1.715 49 R CA -0.193 55.903 56.100 -0.006 0.000 1.633 49 R CB 1.020 31.320 30.300 -0.000 0.000 1.353 49 R HN 0.809 nan 8.270 nan 0.000 0.653 50 T N -1.530 113.037 114.554 0.022 0.000 2.618 50 T HA 0.872 5.222 4.350 -0.000 0.000 0.286 50 T C -0.631 174.076 174.700 0.011 0.000 1.027 50 T CA 0.074 62.196 62.100 0.037 0.000 1.063 50 T CB 2.104 71.020 68.868 0.080 0.000 1.440 50 T HN 0.567 nan 8.240 nan 0.000 0.505 51 G N -0.485 108.328 108.800 0.022 0.000 2.323 51 G HA2 0.488 4.448 3.960 -0.000 0.000 0.291 51 G HA3 0.488 4.448 3.960 -0.000 0.000 0.291 51 G C -2.136 172.780 174.900 0.027 0.000 1.278 51 G CA 0.091 45.190 45.100 -0.002 0.000 0.860 51 G HN 0.983 nan 8.290 nan 0.000 0.504 52 V N -0.229 119.702 119.914 0.029 0.000 2.888 52 V HA 0.802 4.922 4.120 -0.000 0.000 0.309 52 V C -0.476 175.667 176.094 0.081 0.000 1.114 52 V CA -0.585 61.745 62.300 0.049 0.000 0.940 52 V CB 2.150 34.004 31.823 0.053 0.000 1.021 52 V HN 0.968 nan 8.190 nan 0.000 0.426 53 T N 3.248 117.847 114.554 0.075 0.000 2.848 53 T HA 0.764 5.114 4.350 -0.000 0.000 0.285 53 T C -0.387 174.296 174.700 -0.028 0.000 0.995 53 T CA -0.313 61.844 62.100 0.095 0.000 0.970 53 T CB 1.700 70.673 68.868 0.175 0.000 0.976 53 T HN 1.003 nan 8.240 nan 0.000 0.441 54 A N 3.262 126.016 122.820 -0.109 0.000 2.330 54 A HA 0.856 5.176 4.320 -0.000 0.000 0.327 54 A C -0.877 176.593 177.584 -0.190 0.000 1.155 54 A CA -0.634 51.316 52.037 -0.145 0.000 0.803 54 A CB 0.330 19.229 19.000 -0.168 0.000 1.208 54 A HN 0.744 nan 8.150 nan 0.000 0.477 55 I N 2.559 123.033 120.570 -0.161 0.000 2.418 55 I HA 0.351 4.521 4.170 -0.000 0.000 0.287 55 I C -1.039 174.981 176.117 -0.161 0.000 1.008 55 I CA -0.177 61.032 61.300 -0.153 0.000 1.104 55 I CB 1.697 39.649 38.000 -0.080 0.000 1.264 55 I HN 0.379 nan 8.210 nan 0.000 0.438 56 L N 9.239 130.368 121.223 -0.156 0.000 2.272 56 L HA 0.483 4.823 4.340 -0.000 0.000 0.289 56 L C -1.600 175.161 176.870 -0.182 0.000 1.032 56 L CA -1.567 53.158 54.840 -0.191 0.000 0.810 56 L CB 0.841 42.808 42.059 -0.154 0.000 1.205 56 L HN 0.316 nan 8.230 nan 0.000 0.422 57 P HA -0.120 nan 4.420 nan 0.000 0.215 57 P C -0.570 176.722 177.300 -0.013 0.000 1.153 57 P CA 1.497 64.374 63.100 -0.371 0.000 0.853 57 P CB 0.209 31.510 31.700 -0.665 0.000 0.788 58 H N -4.845 114.212 119.070 -0.020 0.000 3.161 58 H HA 0.427 4.983 4.556 -0.000 0.000 0.285 58 H C 0.127 175.465 175.328 0.016 0.000 1.588 58 H CA -0.755 55.307 56.048 0.024 0.000 1.218 58 H CB -0.034 29.747 29.762 0.032 0.000 1.841 58 H HN -0.280 nan 8.280 nan 0.000 0.623 59 E N -0.371 120.028 120.200 0.332 0.000 2.474 59 E HA 0.229 4.579 4.350 -0.000 0.000 0.195 59 E C 0.785 177.532 176.600 0.244 0.000 1.039 59 E CA 0.263 56.785 56.400 0.204 0.000 0.881 59 E CB 0.770 30.548 29.700 0.129 0.000 0.970 59 E HN 0.602 nan 8.360 nan 0.000 0.486 60 G N 0.975 110.062 108.800 0.479 0.000 2.695 60 G HA2 0.031 3.991 3.960 -0.000 0.000 0.213 60 G HA3 0.031 3.991 3.960 -0.000 0.000 0.213 60 G C -0.216 174.857 174.900 0.288 0.000 1.406 60 G CA -0.534 44.746 45.100 0.299 0.000 1.049 60 G HN 0.023 nan 8.290 nan 0.000 0.573 61 N N 0.647 119.496 118.700 0.249 0.000 2.402 61 N HA 0.111 4.851 4.740 -0.000 0.000 0.252 61 N C 1.517 177.148 175.510 0.201 0.000 1.118 61 N CA -0.212 52.939 53.050 0.168 0.000 0.945 61 N CB 0.778 39.334 38.487 0.115 0.000 1.147 61 N HN 0.355 nan 8.380 nan 0.000 0.495 62 I N 3.026 123.636 120.570 0.067 0.000 2.361 62 I HA -0.260 3.910 4.170 -0.000 0.000 0.251 62 I C 1.638 177.796 176.117 0.068 0.000 1.133 62 I CA 0.885 62.170 61.300 -0.025 0.000 1.413 62 I CB -0.298 37.602 38.000 -0.168 0.000 1.073 62 I HN 0.529 nan 8.210 nan 0.000 0.424 63 Y N 2.121 122.393 120.300 -0.047 0.000 2.220 63 Y HA -0.144 4.406 4.550 -0.000 0.000 0.291 63 Y C 2.399 178.244 175.900 -0.093 0.000 1.129 63 Y CA 1.522 59.566 58.100 -0.094 0.000 1.161 63 Y CB 0.046 38.413 38.460 -0.156 0.000 0.997 63 Y HN -0.104 nan 8.280 nan 0.000 0.522 64 K N 0.636 121.026 120.400 -0.017 0.000 2.228 64 K HA 0.009 4.329 4.320 -0.000 0.000 0.202 64 K C -0.164 176.442 176.600 0.009 0.000 1.051 64 K CA 0.906 57.167 56.287 -0.043 0.000 0.960 64 K CB -0.016 32.536 32.500 0.087 0.000 0.743 64 K HN 0.455 nan 8.250 nan 0.000 0.458 65 E N 1.524 121.762 120.200 0.064 0.000 2.346 65 E HA 0.164 4.514 4.350 -0.000 0.000 0.239 65 E C -0.983 175.704 176.600 0.145 0.000 0.943 65 E CA -0.231 56.221 56.400 0.086 0.000 0.751 65 E CB 1.162 30.901 29.700 0.065 0.000 1.241 65 E HN 0.009 nan 8.360 nan 0.000 0.423 66 K N 0.692 121.121 120.400 0.047 0.000 2.138 66 K HA 0.366 4.686 4.320 -0.000 0.000 0.251 66 K C 0.129 176.762 176.600 0.055 0.000 1.015 66 K CA -0.551 55.752 56.287 0.027 0.000 0.917 66 K CB 1.020 33.504 32.500 -0.027 0.000 1.021 66 K HN 0.196 nan 8.250 nan 0.000 0.485 67 V N -0.857 119.076 119.914 0.031 0.000 2.715 67 V HA 0.455 4.575 4.120 -0.000 0.000 0.310 67 V C -0.340 175.790 176.094 0.060 0.000 1.054 67 V CA -1.248 61.092 62.300 0.066 0.000 0.928 67 V CB 1.095 32.965 31.823 0.078 0.000 1.007 67 V HN 0.554 nan 8.190 nan 0.000 0.437 68 L N 3.458 124.733 121.223 0.086 0.000 2.426 68 L HA 0.712 5.051 4.340 -0.000 0.000 0.271 68 L C 0.559 177.504 176.870 0.124 0.000 1.169 68 L CA 0.574 55.463 54.840 0.082 0.000 0.836 68 L CB 0.950 43.052 42.059 0.071 0.000 1.112 68 L HN 1.091 nan 8.230 nan 0.000 0.465 69 A N 1.916 124.800 122.820 0.107 0.000 2.609 69 A HA 0.905 5.224 4.320 -0.000 0.000 0.291 69 A C -0.569 177.086 177.584 0.119 0.000 1.096 69 A CA -0.016 52.103 52.037 0.137 0.000 0.684 69 A CB 1.810 20.882 19.000 0.120 0.000 1.282 69 A HN 0.742 nan 8.150 nan 0.000 0.412 70 G N -1.424 107.454 108.800 0.130 0.000 2.725 70 G HA2 0.958 4.918 3.960 -0.000 0.000 0.288 70 G HA3 0.958 4.918 3.960 -0.000 0.000 0.288 70 G C -0.820 174.173 174.900 0.154 0.000 1.399 70 G CA 0.046 45.247 45.100 0.170 0.000 0.859 70 G HN 2.182 nan 8.290 nan 0.000 0.479 71 A N -0.869 122.131 122.820 0.300 0.000 2.608 71 A HA 0.757 5.077 4.320 -0.000 0.000 0.292 71 A C -2.241 175.712 177.584 0.615 0.000 1.066 71 A CA -0.556 51.652 52.037 0.285 0.000 0.676 71 A CB 1.623 20.577 19.000 -0.076 0.000 1.277 71 A HN 1.846 nan 8.150 nan 0.000 0.413 72 F N 1.473 121.583 119.950 0.266 0.000 2.573 72 F HA 0.614 5.141 4.527 -0.000 0.000 0.316 72 F C -1.272 174.641 175.800 0.189 0.000 1.148 72 F CA -0.805 57.339 58.000 0.240 0.000 0.940 72 F CB 2.031 41.086 39.000 0.092 0.000 1.214 72 F HN 0.401 nan 8.300 nan 0.000 0.448 73 V N 8.662 128.244 119.914 -0.553 0.000 2.348 73 V HA 0.115 4.235 4.120 -0.000 0.000 0.270 73 V C 0.845 176.260 176.094 -1.132 0.000 1.037 73 V CA -0.344 61.630 62.300 -0.543 0.000 0.872 73 V CB 0.921 32.655 31.823 -0.150 0.000 1.002 73 V HN 1.009 nan 8.190 nan 0.000 0.464 74 M N 4.838 123.917 119.600 -0.867 0.000 2.160 74 M HA 0.155 4.635 4.480 -0.000 0.000 0.264 74 M C 0.660 176.811 176.300 -0.249 0.000 1.073 74 M CA 1.631 56.606 55.300 -0.541 0.000 1.142 74 M CB -0.150 32.370 32.600 -0.133 0.000 1.358 74 M HN 0.635 nan 8.290 nan 0.000 0.422 75 N N -0.424 118.171 118.700 -0.174 0.000 2.500 75 N HA 0.443 5.183 4.740 -0.000 0.000 0.291 75 N C -0.078 175.415 175.510 -0.029 0.000 1.092 75 N CA 0.049 53.061 53.050 -0.064 0.000 0.890 75 N CB 1.386 39.865 38.487 -0.014 0.000 1.466 75 N HN 0.234 nan 8.380 nan 0.000 0.507 76 G N 1.844 110.635 108.800 -0.015 0.000 3.295 76 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.231 76 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.231 76 G C -0.224 174.693 174.900 0.028 0.000 1.277 76 G CA 0.076 45.175 45.100 -0.001 0.000 1.013 76 G HN 0.611 nan 8.290 nan 0.000 0.509 77 Y N 1.822 122.111 120.300 -0.018 0.000 2.735 77 Y HA 0.493 5.043 4.550 -0.000 0.000 0.354 77 Y C 0.484 176.382 175.900 -0.003 0.000 1.288 77 Y CA -0.738 57.361 58.100 -0.002 0.000 1.836 77 Y CB -0.286 38.180 38.460 0.010 0.000 1.920 77 Y HN 0.115 nan 8.280 nan 0.000 0.438 78 S N 1.735 117.466 115.700 0.050 0.000 2.570 78 S HA 0.579 5.049 4.470 -0.000 0.000 0.270 78 S C -1.138 173.456 174.600 -0.010 0.000 1.149 78 S CA -0.910 57.319 58.200 0.048 0.000 0.837 78 S CB 1.086 64.307 63.200 0.034 0.000 1.124 78 S HN 0.247 nan 8.310 nan 0.000 0.465 79 K N 2.773 123.171 120.400 -0.002 0.000 2.961 79 K HA 0.400 4.720 4.320 -0.000 0.000 0.187 79 K C -2.603 173.984 176.600 -0.021 0.000 1.110 79 K CA -1.763 54.513 56.287 -0.018 0.000 0.968 79 K CB 0.932 33.424 32.500 -0.013 0.000 1.287 79 K HN 0.385 nan 8.250 nan 0.000 0.578 80 P HA 0.163 nan 4.420 nan 0.000 0.277 80 P C -0.478 176.788 177.300 -0.056 0.000 1.240 80 P CA -0.442 62.629 63.100 -0.049 0.000 0.798 80 P CB 1.509 33.166 31.700 -0.072 0.000 0.979 81 V N 1.504 121.382 119.914 -0.061 0.000 2.448 81 V HA 0.586 4.706 4.120 -0.000 0.000 0.295 81 V C 1.157 177.203 176.094 -0.081 0.000 1.025 81 V CA 0.583 62.848 62.300 -0.058 0.000 0.859 81 V CB 0.609 32.407 31.823 -0.041 0.000 0.988 81 V HN 0.993 nan 8.190 nan 0.000 0.431 82 G N 3.466 112.214 108.800 -0.087 0.000 2.201 82 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.212 82 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.212 82 G C 0.601 175.393 174.900 -0.180 0.000 0.994 82 G CA 0.241 45.278 45.100 -0.105 0.000 0.644 82 G HN 0.580 nan 8.290 nan 0.000 0.508 83 L N 0.065 121.128 121.223 -0.267 0.000 2.141 83 L HA 0.067 4.407 4.340 -0.000 0.000 0.209 83 L C 2.772 179.371 176.870 -0.452 0.000 1.094 83 L CA 1.050 55.557 54.840 -0.555 0.000 0.763 83 L CB -0.441 41.126 42.059 -0.819 0.000 0.908 83 L HN 0.271 nan 8.230 nan 0.000 0.437 84 I N -0.031 120.476 120.570 -0.105 0.000 2.208 84 I HA -0.327 3.843 4.170 -0.000 0.000 0.245 84 I C 2.673 178.854 176.117 0.107 0.000 1.097 84 I CA 1.503 62.883 61.300 0.132 0.000 1.363 84 I CB -0.519 37.554 38.000 0.121 0.000 1.051 84 I HN 0.294 nan 8.210 nan 0.000 0.413 85 Q N 0.056 119.867 119.800 0.018 0.000 2.187 85 Q HA -0.132 4.208 4.340 -0.000 0.000 0.199 85 Q C 2.354 178.361 176.000 0.012 0.000 0.957 85 Q CA 0.841 56.661 55.803 0.028 0.000 0.857 85 Q CB -0.036 28.709 28.738 0.011 0.000 0.929 85 Q HN 0.541 nan 8.270 nan 0.000 0.453 86 L N -0.294 120.882 121.223 -0.077 0.000 2.012 86 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 86 L C 1.845 178.724 176.870 0.014 0.000 1.073 86 L CA 1.331 56.106 54.840 -0.107 0.000 0.748 86 L CB -0.271 41.619 42.059 -0.281 0.000 0.891 86 L HN 0.444 nan 8.230 nan 0.000 0.431 87 W N 0.202 121.516 121.300 0.022 0.000 2.381 87 W HA -0.166 4.494 4.660 -0.000 0.000 0.301 87 W C 2.611 179.140 176.519 0.017 0.000 1.205 87 W CA 1.325 58.684 57.345 0.023 0.000 1.285 87 W CB -0.719 28.754 29.460 0.023 0.000 1.133 87 W HN 0.323 nan 8.180 nan 0.000 0.521 88 E N 0.356 120.703 120.200 0.245 0.000 2.047 88 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 88 E C 2.156 178.811 176.600 0.092 0.000 0.987 88 E CA 1.454 57.938 56.400 0.139 0.000 0.799 88 E CB -0.596 29.167 29.700 0.105 0.000 0.752 88 E HN 0.158 nan 8.360 nan 0.000 0.449 89 L N -1.540 119.728 121.223 0.073 0.000 2.513 89 L HA 0.299 4.639 4.340 -0.000 0.000 0.222 89 L C 1.376 178.274 176.870 0.046 0.000 1.096 89 L CA 0.328 55.193 54.840 0.042 0.000 0.857 89 L CB 0.098 42.167 42.059 0.017 0.000 1.026 89 L HN 0.431 nan 8.230 nan 0.000 0.469 90 G N 1.417 110.261 108.800 0.072 0.000 2.160 90 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.251 90 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.251 90 G C 0.289 175.219 174.900 0.049 0.000 1.008 90 G CA 0.528 45.675 45.100 0.077 0.000 0.724 90 G HN 0.432 nan 8.290 nan 0.000 0.514 91 T N -2.308 112.260 114.554 0.023 0.000 2.883 91 T HA 0.782 5.132 4.350 -0.000 0.000 0.296 91 T C -0.403 174.283 174.700 -0.024 0.000 1.117 91 T CA -0.985 61.118 62.100 0.005 0.000 1.006 91 T CB 2.810 71.674 68.868 -0.007 0.000 1.191 91 T HN 0.533 nan 8.240 nan 0.000 0.508 92 I N 1.470 122.012 120.570 -0.047 0.000 2.436 92 I HA 0.352 4.522 4.170 -0.000 0.000 0.289 92 I C 0.438 176.506 176.117 -0.082 0.000 1.010 92 I CA -0.746 60.500 61.300 -0.091 0.000 1.098 92 I CB 2.115 40.011 38.000 -0.173 0.000 1.266 92 I HN 1.013 nan 8.210 nan 0.000 0.434 93 E N 3.526 123.699 120.200 -0.044 0.000 2.812 93 E HA 0.204 4.554 4.350 -0.000 0.000 0.211 93 E C -0.326 176.308 176.600 0.057 0.000 0.986 93 E CA -0.343 56.064 56.400 0.011 0.000 1.119 93 E CB 0.760 30.492 29.700 0.054 0.000 1.046 93 E HN 0.611 nan 8.360 nan 0.000 0.474 94 T N -1.810 112.727 114.554 -0.028 0.000 2.821 94 T HA 0.448 4.798 4.350 -0.000 0.000 0.306 94 T C -3.099 171.542 174.700 -0.099 0.000 1.313 94 T CA -2.014 60.073 62.100 -0.022 0.000 1.012 94 T CB 1.893 70.756 68.868 -0.008 0.000 1.298 94 T HN -0.201 nan 8.240 nan 0.000 0.502 95 P HA 0.392 nan 4.420 nan 0.000 0.272 95 P C -0.506 176.710 177.300 -0.140 0.000 1.230 95 P CA -0.518 62.489 63.100 -0.156 0.000 0.788 95 P CB 0.570 32.165 31.700 -0.175 0.000 0.949 96 I N 2.200 122.679 120.570 -0.152 0.000 2.342 96 I HA 0.271 4.441 4.170 -0.000 0.000 0.291 96 I C 0.459 176.522 176.117 -0.089 0.000 1.010 96 I CA -0.533 60.701 61.300 -0.110 0.000 1.308 96 I CB 0.483 38.428 38.000 -0.092 0.000 1.400 96 I HN 0.053 nan 8.210 nan 0.000 0.488 97 I N 7.308 127.837 120.570 -0.067 0.000 2.441 97 I HA 0.494 4.664 4.170 -0.000 0.000 0.295 97 I C -0.205 175.896 176.117 -0.027 0.000 0.994 97 I CA -0.581 60.689 61.300 -0.050 0.000 1.144 97 I CB 1.698 39.671 38.000 -0.045 0.000 1.314 97 I HN 0.416 nan 8.210 nan 0.000 0.445 98 L N 4.614 125.832 121.223 -0.010 0.000 2.362 98 L HA 0.769 5.109 4.340 -0.000 0.000 0.271 98 L C 0.067 176.950 176.870 0.022 0.000 1.002 98 L CA -0.250 54.596 54.840 0.009 0.000 0.818 98 L CB 2.305 44.377 42.059 0.021 0.000 1.298 98 L HN 0.662 nan 8.230 nan 0.000 0.420 99 T N 0.154 114.723 114.554 0.026 0.000 2.649 99 T HA 0.253 4.603 4.350 -0.000 0.000 0.305 99 T C -1.632 173.090 174.700 0.037 0.000 1.409 99 T CA -0.644 61.476 62.100 0.034 0.000 1.021 99 T CB 1.347 70.236 68.868 0.034 0.000 1.726 99 T HN 0.821 nan 8.240 nan 0.000 0.475 100 N N 0.100 118.825 118.700 0.042 0.000 2.483 100 N HA 0.313 5.053 4.740 -0.000 0.000 0.269 100 N C 1.156 176.689 175.510 0.038 0.000 1.209 100 N CA 0.360 53.438 53.050 0.046 0.000 0.969 100 N CB 0.299 38.818 38.487 0.053 0.000 1.173 100 N HN 0.494 nan 8.380 nan 0.000 0.475 101 T N 0.506 115.086 114.554 0.044 0.000 2.624 101 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 101 T C 1.282 175.997 174.700 0.025 0.000 1.041 101 T CA 1.445 63.569 62.100 0.039 0.000 1.159 101 T CB -0.324 68.578 68.868 0.056 0.000 0.863 101 T HN 0.327 nan 8.240 nan 0.000 0.434 102 L N 0.830 122.067 121.223 0.023 0.000 2.610 102 L HA 0.214 4.554 4.340 -0.000 0.000 0.232 102 L C 2.102 178.971 176.870 -0.001 0.000 1.149 102 L CA 0.994 55.839 54.840 0.008 0.000 0.872 102 L CB -0.460 41.600 42.059 0.002 0.000 0.992 102 L HN 0.123 nan 8.230 nan 0.000 0.447 103 S N -0.780 114.925 115.700 0.008 0.000 2.556 103 S HA 0.141 4.611 4.470 -0.000 0.000 0.216 103 S C 1.898 176.501 174.600 0.005 0.000 0.970 103 S CA -0.129 58.075 58.200 0.006 0.000 0.912 103 S CB -0.033 63.182 63.200 0.024 0.000 0.790 103 S HN 0.517 nan 8.310 nan 0.000 0.504 104 I N -0.154 120.417 120.570 0.002 0.000 2.335 104 I HA -0.030 4.140 4.170 -0.000 0.000 0.251 104 I C 2.193 178.305 176.117 -0.009 0.000 1.129 104 I CA 1.538 62.836 61.300 -0.003 0.000 1.402 104 I CB -0.980 37.017 38.000 -0.006 0.000 1.069 104 I HN 0.233 nan 8.210 nan 0.000 0.424 105 G N 1.029 109.822 108.800 -0.011 0.000 2.402 105 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 105 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 105 G C 1.561 176.451 174.900 -0.015 0.000 1.162 105 G CA 1.344 46.435 45.100 -0.015 0.000 0.777 105 G HN 0.434 nan 8.290 nan 0.000 0.539 106 T N 1.754 116.300 114.554 -0.014 0.000 2.746 106 T HA 0.027 4.377 4.350 -0.000 0.000 0.267 106 T C 2.810 177.504 174.700 -0.010 0.000 1.039 106 T CA 1.432 63.523 62.100 -0.015 0.000 1.142 106 T CB -0.355 68.506 68.868 -0.013 0.000 0.866 106 T HN 0.363 nan 8.240 nan 0.000 0.444 107 A N 1.060 123.879 122.820 -0.003 0.000 1.908 107 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 107 A C 2.599 180.177 177.584 -0.010 0.000 1.181 107 A CA 1.388 53.424 52.037 -0.002 0.000 0.627 107 A CB -1.090 17.909 19.000 -0.001 0.000 0.818 107 A HN 0.348 nan 8.150 nan 0.000 0.445 108 V N 0.329 120.235 119.914 -0.014 0.000 2.343 108 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 108 V C 2.600 178.684 176.094 -0.017 0.000 1.051 108 V CA 2.170 64.459 62.300 -0.018 0.000 1.036 108 V CB -0.706 31.105 31.823 -0.020 0.000 0.654 108 V HN 0.545 nan 8.190 nan 0.000 0.451 109 E N 0.496 120.686 120.200 -0.017 0.000 2.038 109 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 109 E C 2.336 178.928 176.600 -0.012 0.000 1.000 109 E CA 1.677 58.066 56.400 -0.018 0.000 0.803 109 E CB -0.753 28.934 29.700 -0.022 0.000 0.750 109 E HN 0.622 nan 8.360 nan 0.000 0.448 110 G N 1.543 110.338 108.800 -0.009 0.000 2.418 110 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 110 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 110 G C 1.632 176.546 174.900 0.023 0.000 1.158 110 G CA 0.768 45.870 45.100 0.002 0.000 0.771 110 G HN 0.207 nan 8.290 nan 0.000 0.545 111 L N 0.650 121.881 121.223 0.013 0.000 2.012 111 L HA 0.034 4.374 4.340 -0.000 0.000 0.210 111 L C 2.690 179.589 176.870 0.049 0.000 1.073 111 L CA 1.446 56.305 54.840 0.031 0.000 0.748 111 L CB -0.579 41.479 42.059 -0.001 0.000 0.891 111 L HN 0.216 nan 8.230 nan 0.000 0.431 112 L N -0.781 120.445 121.223 0.005 0.000 2.131 112 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 112 L C 2.252 179.110 176.870 -0.021 0.000 1.092 112 L CA 1.132 55.957 54.840 -0.025 0.000 0.759 112 L CB -0.835 41.201 42.059 -0.039 0.000 0.903 112 L HN 0.307 nan 8.230 nan 0.000 0.435 113 D N -0.630 119.775 120.400 0.007 0.000 2.104 113 D HA -0.258 4.382 4.640 -0.000 0.000 0.194 113 D C 1.863 178.178 176.300 0.024 0.000 0.994 113 D CA 1.463 55.468 54.000 0.008 0.000 0.830 113 D CB -0.246 40.567 40.800 0.023 0.000 0.959 113 D HN 0.300 nan 8.370 nan 0.000 0.452 114 Y N 1.329 121.596 120.300 -0.055 0.000 2.114 114 Y HA -0.153 4.397 4.550 -0.000 0.000 0.284 114 Y C 2.299 178.156 175.900 -0.072 0.000 1.143 114 Y CA 1.298 59.366 58.100 -0.054 0.000 1.135 114 Y CB -0.515 37.915 38.460 -0.050 0.000 0.980 114 Y HN -0.099 nan 8.280 nan 0.000 0.499 115 I N -0.067 120.438 120.570 -0.109 0.000 2.163 115 I HA -0.363 3.807 4.170 -0.000 0.000 0.243 115 I C 2.319 178.266 176.117 -0.283 0.000 1.085 115 I CA 1.590 62.748 61.300 -0.236 0.000 1.347 115 I CB -0.515 37.391 38.000 -0.157 0.000 1.044 115 I HN 0.272 nan 8.210 nan 0.000 0.408 116 L N -0.059 121.041 121.223 -0.205 0.000 2.201 116 L HA -0.151 4.188 4.340 -0.000 0.000 0.212 116 L C 2.577 179.344 176.870 -0.171 0.000 1.105 116 L CA 0.872 55.602 54.840 -0.182 0.000 0.775 116 L CB -0.591 41.392 42.059 -0.125 0.000 0.913 116 L HN 0.249 nan 8.230 nan 0.000 0.440 117 E N 0.275 120.363 120.200 -0.187 0.000 2.072 117 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 117 E C 1.984 178.461 176.600 -0.205 0.000 0.985 117 E CA 0.983 57.281 56.400 -0.171 0.000 0.801 117 E CB 0.024 29.625 29.700 -0.165 0.000 0.750 117 E HN 0.438 nan 8.360 nan 0.000 0.452 118 E N 0.575 120.586 120.200 -0.314 0.000 2.435 118 E HA 0.026 4.376 4.350 -0.000 0.000 0.195 118 E C -0.008 176.487 176.600 -0.175 0.000 1.029 118 E CA 0.233 56.466 56.400 -0.279 0.000 0.865 118 E CB 0.115 29.555 29.700 -0.433 0.000 0.833 118 E HN 0.179 nan 8.360 nan 0.000 0.510 119 N N 0.863 119.454 118.700 -0.182 0.000 2.621 119 N HA 0.103 4.843 4.740 -0.000 0.000 0.271 119 N C -0.213 175.225 175.510 -0.119 0.000 1.181 119 N CA -0.021 52.948 53.050 -0.135 0.000 0.805 119 N CB 1.355 39.709 38.487 -0.222 0.000 1.351 119 N HN 0.006 nan 8.380 nan 0.000 0.539 120 E N 0.250 120.411 120.200 -0.064 0.000 2.481 120 E HA -0.090 4.260 4.350 -0.000 0.000 0.195 120 E C 0.652 177.241 176.600 -0.020 0.000 1.047 120 E CA 0.573 56.944 56.400 -0.048 0.000 0.867 120 E CB 0.279 29.959 29.700 -0.033 0.000 0.858 120 E HN 0.521 nan 8.360 nan 0.000 0.513 121 D N 0.520 120.926 120.400 0.010 0.000 2.333 121 D HA -0.066 4.574 4.640 -0.000 0.000 0.208 121 D C 0.799 177.130 176.300 0.052 0.000 0.984 121 D CA 0.054 54.092 54.000 0.063 0.000 0.873 121 D CB 0.000 40.894 40.800 0.156 0.000 0.935 121 D HN 0.141 nan 8.370 nan 0.000 0.521 122 I N 1.043 121.596 120.570 -0.029 0.000 2.598 122 I HA 0.171 4.341 4.170 -0.000 0.000 0.284 122 I C 1.647 177.740 176.117 -0.039 0.000 1.140 122 I CA 1.050 62.307 61.300 -0.072 0.000 1.420 122 I CB 0.636 38.481 38.000 -0.259 0.000 1.387 122 I HN 0.278 nan 8.210 nan 0.000 0.553 123 G N 3.957 112.756 108.800 -0.002 0.000 2.179 123 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.260 123 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.260 123 G C 0.412 175.320 174.900 0.013 0.000 0.977 123 G CA 0.361 45.461 45.100 0.000 0.000 0.641 123 G HN 0.486 nan 8.290 nan 0.000 0.533 124 V N -0.495 119.436 119.914 0.029 0.000 3.449 124 V HA 0.226 4.346 4.120 -0.000 0.000 0.208 124 V C 2.296 178.422 176.094 0.052 0.000 1.269 124 V CA 2.197 64.516 62.300 0.031 0.000 1.301 124 V CB 0.033 31.869 31.823 0.022 0.000 1.306 124 V HN 0.672 nan 8.190 nan 0.000 0.531 125 T N -3.057 111.545 114.554 0.079 0.000 3.023 125 T HA 0.241 4.591 4.350 -0.000 0.000 0.253 125 T C 0.574 175.375 174.700 0.170 0.000 1.038 125 T CA 0.750 62.912 62.100 0.103 0.000 0.962 125 T CB 0.638 69.560 68.868 0.090 0.000 1.018 125 T HN 0.396 nan 8.240 nan 0.000 0.521 126 T N -0.119 114.549 114.554 0.189 0.000 2.716 126 T HA 0.649 4.999 4.350 -0.000 0.000 0.286 126 T C 0.472 175.278 174.700 0.176 0.000 1.052 126 T CA -0.044 62.202 62.100 0.243 0.000 1.024 126 T CB 1.207 70.304 68.868 0.381 0.000 1.349 126 T HN 0.286 nan 8.240 nan 0.000 0.525 127 G N 1.044 109.965 108.800 0.202 0.000 2.529 127 G HA2 0.433 4.393 3.960 -0.000 0.000 0.277 127 G HA3 0.433 4.393 3.960 -0.000 0.000 0.277 127 G C 0.649 175.634 174.900 0.142 0.000 1.383 127 G CA 0.248 45.440 45.100 0.154 0.000 1.050 127 G HN 1.011 nan 8.290 nan 0.000 0.526 128 S N -2.297 113.466 115.700 0.105 0.000 2.397 128 S HA 0.610 5.080 4.470 -0.000 0.000 0.261 128 S C -0.126 174.520 174.600 0.076 0.000 1.187 128 S CA -0.022 58.206 58.200 0.045 0.000 1.023 128 S CB 1.122 64.337 63.200 0.024 0.000 1.103 128 S HN 1.334 nan 8.310 nan 0.000 0.474 129 V N 0.651 120.572 119.914 0.012 0.000 2.971 129 V HA 0.583 4.703 4.120 -0.000 0.000 0.309 129 V C -1.723 174.392 176.094 0.034 0.000 1.130 129 V CA -0.879 61.445 62.300 0.040 0.000 0.964 129 V CB 2.040 33.750 31.823 -0.189 0.000 1.029 129 V HN 0.968 nan 8.190 nan 0.000 0.427 130 N N 6.380 125.120 118.700 0.066 0.000 2.801 130 N HA 0.493 5.233 4.740 -0.000 0.000 0.235 130 N C -2.572 172.936 175.510 -0.003 0.000 1.069 130 N CA -1.810 51.254 53.050 0.023 0.000 0.946 130 N CB 1.128 39.628 38.487 0.023 0.000 1.212 130 N HN 0.541 nan 8.380 nan 0.000 0.509 131 P HA 0.022 nan 4.420 nan 0.000 0.268 131 P C -0.860 176.414 177.300 -0.044 0.000 1.204 131 P CA -0.405 62.677 63.100 -0.029 0.000 0.768 131 P CB 1.085 32.768 31.700 -0.029 0.000 0.842 132 L N 5.548 126.738 121.223 -0.055 0.000 2.276 132 L HA 0.404 4.744 4.340 -0.000 0.000 0.286 132 L C -0.942 175.891 176.870 -0.063 0.000 1.024 132 L CA -0.455 54.342 54.840 -0.072 0.000 0.826 132 L CB 1.176 43.181 42.059 -0.090 0.000 1.211 132 L HN 0.097 nan 8.230 nan 0.000 0.422 133 V N 6.214 126.093 119.914 -0.057 0.000 2.638 133 V HA 0.591 4.711 4.120 -0.000 0.000 0.306 133 V C -0.448 175.622 176.094 -0.040 0.000 1.052 133 V CA -0.531 61.743 62.300 -0.042 0.000 0.885 133 V CB 1.839 33.643 31.823 -0.031 0.000 0.999 133 V HN 0.599 nan 8.190 nan 0.000 0.424 134 L N 3.762 124.968 121.223 -0.028 0.000 2.283 134 L HA 0.952 5.292 4.340 -0.000 0.000 0.259 134 L C -0.516 176.354 176.870 0.000 0.000 1.027 134 L CA -0.363 54.465 54.840 -0.020 0.000 0.828 134 L CB 2.319 44.365 42.059 -0.022 0.000 1.380 134 L HN 0.900 nan 8.230 nan 0.000 0.425 135 E N -0.809 119.397 120.200 0.011 0.000 2.447 135 E HA 0.735 5.085 4.350 -0.000 0.000 0.279 135 E C -1.706 174.918 176.600 0.041 0.000 1.053 135 E CA -0.717 55.699 56.400 0.027 0.000 0.840 135 E CB 1.398 31.114 29.700 0.027 0.000 1.409 135 E HN 0.421 nan 8.360 nan 0.000 0.461 136 C N 0.646 119.976 119.300 0.051 0.000 2.994 136 C HA 0.617 5.077 4.460 -0.000 0.000 0.305 136 C C -1.075 173.955 174.990 0.066 0.000 1.251 136 C CA -0.850 58.206 59.018 0.063 0.000 1.478 136 C CB 1.776 29.556 27.740 0.067 0.000 1.922 136 C HN 0.762 nan 8.230 nan 0.000 0.472 137 N N 1.648 120.392 118.700 0.074 0.000 2.406 137 N HA 0.186 4.926 4.740 -0.000 0.000 0.251 137 N C -0.073 175.487 175.510 0.082 0.000 1.069 137 N CA 0.056 53.153 53.050 0.078 0.000 0.947 137 N CB 0.869 39.406 38.487 0.084 0.000 1.111 137 N HN 0.770 nan 8.380 nan 0.000 0.497 138 D N 0.720 121.171 120.400 0.085 0.000 2.388 138 D HA -0.023 4.617 4.640 -0.000 0.000 0.221 138 D C 1.296 177.668 176.300 0.119 0.000 1.133 138 D CA -0.146 53.913 54.000 0.098 0.000 0.831 138 D CB -0.248 40.601 40.800 0.082 0.000 0.962 138 D HN 0.385 nan 8.370 nan 0.000 0.502 139 S N -0.352 115.419 115.700 0.119 0.000 2.402 139 S HA -0.352 4.118 4.470 -0.000 0.000 0.233 139 S C 1.917 176.616 174.600 0.165 0.000 1.030 139 S CA 0.576 58.849 58.200 0.122 0.000 1.003 139 S CB -0.985 62.282 63.200 0.112 0.000 0.813 139 S HN 0.376 nan 8.310 nan 0.000 0.477 140 Y N 1.862 122.213 120.300 0.085 0.000 2.207 140 Y HA 0.013 4.563 4.550 -0.000 0.000 0.287 140 Y C 1.908 177.929 175.900 0.202 0.000 1.156 140 Y CA 1.633 59.813 58.100 0.133 0.000 1.182 140 Y CB -0.149 38.333 38.460 0.037 0.000 0.979 140 Y HN 0.283 nan 8.280 nan 0.000 0.521 141 L N -1.169 120.133 121.223 0.132 0.000 2.672 141 L HA 0.158 4.498 4.340 -0.000 0.000 0.236 141 L C 0.036 176.916 176.870 0.017 0.000 1.092 141 L CA -0.012 54.852 54.840 0.039 0.000 0.887 141 L CB 0.061 42.174 42.059 0.089 0.000 1.168 141 L HN 0.015 nan 8.230 nan 0.000 0.502 142 N N -0.022 118.709 118.700 0.052 0.000 2.370 142 N HA 0.093 4.833 4.740 -0.000 0.000 0.303 142 N C -0.715 174.836 175.510 0.067 0.000 1.103 142 N CA -0.505 52.578 53.050 0.055 0.000 0.848 142 N CB 1.421 39.956 38.487 0.079 0.000 1.235 142 N HN -0.103 nan 8.380 nan 0.000 0.496 143 D N 3.246 123.706 120.400 0.099 0.000 2.545 143 D HA 0.045 4.685 4.640 -0.000 0.000 0.227 143 D C 1.160 177.546 176.300 0.142 0.000 1.150 143 D CA 0.042 54.121 54.000 0.132 0.000 1.046 143 D CB -0.637 40.300 40.800 0.227 0.000 1.098 143 D HN 0.621 nan 8.370 nan 0.000 0.502 144 I N 2.260 122.878 120.570 0.080 0.000 2.361 144 I HA -0.205 3.965 4.170 -0.000 0.000 0.251 144 I C 1.998 178.111 176.117 -0.007 0.000 1.133 144 I CA 0.749 62.077 61.300 0.047 0.000 1.413 144 I CB 0.152 38.184 38.000 0.053 0.000 1.073 144 I HN 0.273 nan 8.210 nan 0.000 0.424 145 R N 0.213 120.711 120.500 -0.003 0.000 2.152 145 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 145 R C 2.112 178.358 176.300 -0.090 0.000 1.117 145 R CA 1.168 57.251 56.100 -0.028 0.000 0.981 145 R CB -0.577 29.719 30.300 -0.007 0.000 0.870 145 R HN 0.476 nan 8.270 nan 0.000 0.451 146 G N 0.507 109.211 108.800 -0.160 0.000 2.650 146 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.214 146 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.214 146 G C 0.010 174.551 174.900 -0.598 0.000 1.136 146 G CA -0.346 44.515 45.100 -0.397 0.000 0.789 146 G HN 0.222 nan 8.290 nan 0.000 0.536 147 R N 0.003 120.264 120.500 -0.398 0.000 3.059 147 R HA -0.168 4.171 4.340 -0.000 0.000 0.251 147 R C 0.478 176.611 176.300 -0.277 0.000 0.886 147 R CA 0.425 56.381 56.100 -0.241 0.000 0.634 147 R CB -1.734 28.485 30.300 -0.135 0.000 1.282 147 R HN 0.495 nan 8.270 nan 0.000 0.487 148 H N -0.962 118.134 119.070 0.043 0.000 2.535 148 H HA 0.062 4.618 4.556 -0.000 0.000 0.273 148 H C 0.923 176.325 175.328 0.123 0.000 0.983 148 H CA 0.597 56.684 56.048 0.065 0.000 1.238 148 H CB 0.498 30.294 29.762 0.056 0.000 1.412 148 H HN 0.085 nan 8.280 nan 0.000 0.562 149 V N 2.936 122.963 119.914 0.188 0.000 2.585 149 V HA -0.022 4.098 4.120 -0.000 0.000 0.296 149 V C 0.596 176.758 176.094 0.113 0.000 1.035 149 V CA 0.366 62.818 62.300 0.254 0.000 1.084 149 V CB 0.715 32.629 31.823 0.151 0.000 0.953 149 V HN 0.191 nan 8.190 nan 0.000 0.483 150 K N 4.292 124.664 120.400 -0.046 0.000 2.208 150 K HA 0.420 4.740 4.320 -0.000 0.000 0.247 150 K C 1.221 177.677 176.600 -0.241 0.000 0.953 150 K CA -0.879 55.210 56.287 -0.330 0.000 0.837 150 K CB 1.962 34.063 32.500 -0.666 0.000 1.131 150 K HN 0.634 nan 8.250 nan 0.000 0.431 151 R N 0.969 121.383 120.500 -0.144 0.000 2.117 151 R HA -0.223 4.117 4.340 -0.000 0.000 0.243 151 R C 0.702 176.962 176.300 -0.067 0.000 1.143 151 R CA 1.831 57.886 56.100 -0.075 0.000 0.968 151 R CB -0.378 29.889 30.300 -0.055 0.000 0.863 151 R HN 0.552 nan 8.270 nan 0.000 0.444 152 E N 0.766 120.893 120.200 -0.121 0.000 2.204 152 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 152 E C 1.772 178.391 176.600 0.032 0.000 0.990 152 E CA 1.536 57.904 56.400 -0.054 0.000 0.821 152 E CB -0.409 29.252 29.700 -0.065 0.000 0.750 152 E HN 0.673 nan 8.360 nan 0.000 0.477 153 H N -0.540 118.533 119.070 0.005 0.000 2.421 153 H HA -0.070 4.486 4.556 -0.000 0.000 0.298 153 H C 1.865 177.186 175.328 -0.012 0.000 1.087 153 H CA 0.921 56.971 56.048 0.004 0.000 1.330 153 H CB 0.193 29.963 29.762 0.013 0.000 1.388 153 H HN 0.009 nan 8.280 nan 0.000 0.526 154 V N 0.281 120.253 119.914 0.097 0.000 2.358 154 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 154 V C 2.391 178.465 176.094 -0.033 0.000 1.047 154 V CA 1.267 63.579 62.300 0.021 0.000 1.035 154 V CB -0.297 31.529 31.823 0.005 0.000 0.658 154 V HN 0.251 nan 8.190 nan 0.000 0.452 155 V N 0.094 120.003 119.914 -0.008 0.000 2.427 155 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 155 V C 2.561 178.627 176.094 -0.046 0.000 1.051 155 V CA 2.137 64.421 62.300 -0.026 0.000 1.048 155 V CB -0.574 31.281 31.823 0.054 0.000 0.666 155 V HN 0.588 nan 8.190 nan 0.000 0.456 156 E N 1.076 121.280 120.200 0.007 0.000 2.051 156 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 156 E C 2.161 178.745 176.600 -0.025 0.000 0.991 156 E CA 1.723 58.130 56.400 0.012 0.000 0.799 156 E CB -0.570 29.167 29.700 0.061 0.000 0.748 156 E HN 0.480 nan 8.360 nan 0.000 0.449 157 A N 0.556 123.358 122.820 -0.029 0.000 1.940 157 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 157 A C 2.368 179.877 177.584 -0.125 0.000 1.176 157 A CA 1.646 53.649 52.037 -0.056 0.000 0.631 157 A CB -0.746 18.232 19.000 -0.037 0.000 0.814 157 A HN 0.379 nan 8.150 nan 0.000 0.446 158 I N -0.905 119.549 120.570 -0.194 0.000 2.315 158 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 158 I C 2.154 178.129 176.117 -0.237 0.000 1.117 158 I CA 1.414 62.526 61.300 -0.314 0.000 1.404 158 I CB -0.238 37.375 38.000 -0.644 0.000 1.071 158 I HN 0.256 nan 8.210 nan 0.000 0.419 159 K N 0.482 120.789 120.400 -0.155 0.000 2.432 159 K HA 0.023 4.343 4.320 -0.000 0.000 0.196 159 K C 1.870 178.446 176.600 -0.040 0.000 1.038 159 K CA 0.451 56.699 56.287 -0.066 0.000 0.986 159 K CB 0.098 32.590 32.500 -0.012 0.000 0.782 159 K HN 0.274 nan 8.250 nan 0.000 0.485 160 R N 0.462 120.931 120.500 -0.051 0.000 2.290 160 R HA 0.185 4.524 4.340 -0.000 0.000 0.197 160 R C 0.311 176.583 176.300 -0.046 0.000 0.913 160 R CA -0.163 55.920 56.100 -0.030 0.000 1.040 160 R CB 0.444 30.735 30.300 -0.016 0.000 0.992 160 R HN 0.005 nan 8.270 nan 0.000 0.500 161 A N 2.778 125.547 122.820 -0.084 0.000 2.546 161 A HA 0.063 4.383 4.320 -0.000 0.000 0.243 161 A C 0.033 177.591 177.584 -0.043 0.000 1.063 161 A CA 0.343 52.320 52.037 -0.101 0.000 0.757 161 A CB 0.032 18.951 19.000 -0.135 0.000 0.991 161 A HN 0.423 nan 8.150 nan 0.000 0.503 162 D N 0.909 121.299 120.400 -0.017 0.000 2.779 162 D HA 0.157 4.797 4.640 -0.000 0.000 0.331 162 D C 0.010 176.365 176.300 0.091 0.000 1.331 162 D CA -0.479 53.541 54.000 0.034 0.000 0.866 162 D CB -0.092 40.733 40.800 0.041 0.000 1.409 162 D HN 0.219 nan 8.370 nan 0.000 0.486 163 E N 0.326 120.586 120.200 0.101 0.000 2.038 163 E HA -0.035 4.315 4.350 -0.000 0.000 0.195 163 E C 0.043 176.764 176.600 0.202 0.000 1.000 163 E CA 1.410 57.892 56.400 0.137 0.000 0.803 163 E CB -0.370 29.381 29.700 0.086 0.000 0.750 163 E HN 0.512 nan 8.360 nan 0.000 0.448 164 D N -0.947 119.531 120.400 0.130 0.000 2.304 164 D HA 0.339 4.979 4.640 -0.000 0.000 0.250 164 D C -0.969 175.437 176.300 0.176 0.000 1.107 164 D CA -0.400 53.641 54.000 0.068 0.000 0.885 164 D CB 0.374 41.187 40.800 0.022 0.000 1.192 164 D HN -0.032 nan 8.370 nan 0.000 0.436 165 F N -0.236 119.726 119.950 0.020 0.000 2.650 165 F HA 0.434 4.961 4.527 -0.000 0.000 0.310 165 F C -0.695 175.170 175.800 0.108 0.000 1.112 165 F CA -1.119 56.902 58.000 0.034 0.000 0.986 165 F CB 0.684 39.650 39.000 -0.058 0.000 1.285 165 F HN 0.150 nan 8.300 nan 0.000 0.440 166 E N 2.282 122.661 120.200 0.299 0.000 2.390 166 E HA 0.297 4.647 4.350 -0.000 0.000 0.261 166 E C -0.769 175.995 176.600 0.272 0.000 1.076 166 E CA -0.364 56.142 56.400 0.177 0.000 0.905 166 E CB 1.039 30.828 29.700 0.148 0.000 0.984 166 E HN 0.694 nan 8.360 nan 0.000 0.427 167 E N -0.263 119.996 120.200 0.099 0.000 2.339 167 E HA 0.576 4.925 4.350 -0.000 0.000 0.262 167 E C 0.055 176.678 176.600 0.038 0.000 0.934 167 E CA -0.527 55.942 56.400 0.115 0.000 0.802 167 E CB 2.004 31.747 29.700 0.071 0.000 1.275 167 E HN 0.652 nan 8.360 nan 0.000 0.427 168 G N 0.681 109.502 108.800 0.036 0.000 2.464 168 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.216 168 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.216 168 G C -0.637 174.255 174.900 -0.013 0.000 1.186 168 G CA -0.376 44.732 45.100 0.012 0.000 1.010 168 G HN 0.721 nan 8.290 nan 0.000 0.585 169 A N 0.532 123.341 122.820 -0.018 0.000 3.037 169 A HA 0.665 4.985 4.320 -0.000 0.000 0.272 169 A C 0.576 178.118 177.584 -0.070 0.000 1.723 169 A CA 0.915 52.935 52.037 -0.028 0.000 1.413 169 A CB -1.288 17.708 19.000 -0.007 0.000 1.112 169 A HN 2.287 nan 8.150 nan 0.000 0.606 170 V N -1.867 117.961 119.914 -0.142 0.000 3.114 170 V HA 0.956 5.075 4.120 -0.000 0.000 0.308 170 V C 0.769 176.662 176.094 -0.334 0.000 1.168 170 V CA -0.191 61.965 62.300 -0.240 0.000 1.015 170 V CB 0.773 32.399 31.823 -0.328 0.000 1.050 170 V HN 2.028 nan 8.190 nan 0.000 0.433 171 G N 1.943 110.598 108.800 -0.242 0.000 2.634 171 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.309 171 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.309 171 G C 1.171 176.051 174.900 -0.034 0.000 1.265 171 G CA 1.562 46.612 45.100 -0.084 0.000 0.998 171 G HN 2.366 nan 8.290 nan 0.000 0.551 172 A N -0.264 122.569 122.820 0.022 0.000 2.067 172 A HA 0.331 4.651 4.320 -0.000 0.000 0.219 172 A C 2.700 180.295 177.584 0.017 0.000 1.158 172 A CA 2.246 54.301 52.037 0.029 0.000 0.661 172 A CB -0.794 18.236 19.000 0.050 0.000 0.801 172 A HN 2.083 nan 8.150 nan 0.000 0.452 173 G N -1.528 107.265 108.800 -0.011 0.000 2.712 173 G HA2 0.039 3.999 3.960 -0.000 0.000 0.212 173 G HA3 0.039 3.999 3.960 -0.000 0.000 0.212 173 G C 1.347 176.244 174.900 -0.005 0.000 1.142 173 G CA 1.199 46.299 45.100 0.000 0.000 0.789 173 G HN 0.379 nan 8.290 nan 0.000 0.535 174 T N 0.976 115.513 114.554 -0.027 0.000 2.602 174 T HA -0.208 4.142 4.350 -0.000 0.000 0.264 174 T C 2.045 176.750 174.700 0.008 0.000 1.085 174 T CA 1.821 63.909 62.100 -0.020 0.000 1.164 174 T CB -0.382 68.471 68.868 -0.025 0.000 0.860 174 T HN 0.376 nan 8.240 nan 0.000 0.442 175 G N 0.730 109.546 108.800 0.027 0.000 3.707 175 G HA2 0.409 4.369 3.960 -0.000 0.000 0.286 175 G HA3 0.409 4.369 3.960 -0.000 0.000 0.286 175 G C 0.176 175.119 174.900 0.072 0.000 1.112 175 G CA -0.400 44.729 45.100 0.049 0.000 0.861 175 G HN 0.191 nan 8.290 nan 0.000 0.534 176 M N 0.761 120.397 119.600 0.060 0.000 2.247 176 M HA 0.442 4.922 4.480 -0.000 0.000 0.326 176 M C -0.046 176.290 176.300 0.059 0.000 1.134 176 M CA -0.046 55.291 55.300 0.063 0.000 1.136 176 M CB 1.080 33.713 32.600 0.054 0.000 1.454 176 M HN -0.093 nan 8.290 nan 0.000 0.467 177 S N 0.862 116.580 115.700 0.030 0.000 2.521 177 S HA 0.851 5.321 4.470 -0.000 0.000 0.295 177 S C -0.916 173.629 174.600 -0.092 0.000 1.098 177 S CA -0.839 57.353 58.200 -0.012 0.000 0.999 177 S CB 1.983 65.142 63.200 -0.069 0.000 1.034 177 S HN 0.735 nan 8.310 nan 0.000 0.483 178 A N 1.571 124.332 122.820 -0.098 0.000 2.402 178 A HA 0.754 5.074 4.320 -0.000 0.000 0.291 178 A C -0.522 176.988 177.584 -0.123 0.000 1.051 178 A CA -0.681 51.175 52.037 -0.300 0.000 0.716 178 A CB -0.155 18.710 19.000 -0.225 0.000 1.223 178 A HN 0.906 nan 8.150 nan 0.000 0.425 179 F N 0.529 120.340 119.950 -0.233 0.000 3.084 179 F HA -0.250 4.277 4.527 -0.000 0.000 0.286 179 F C 0.942 176.586 175.800 -0.259 0.000 0.855 179 F CA 1.614 59.521 58.000 -0.154 0.000 1.091 179 F CB -2.189 36.802 39.000 -0.015 0.000 1.177 179 F HN 0.920 nan 8.300 nan 0.000 0.542 180 E N -3.321 116.782 120.200 -0.161 0.000 2.791 180 E HA -0.252 4.098 4.350 -0.000 0.000 0.271 180 E C -0.014 176.413 176.600 -0.289 0.000 1.044 180 E CA 0.940 57.184 56.400 -0.260 0.000 0.814 180 E CB -1.306 28.214 29.700 -0.300 0.000 1.400 180 E HN 0.423 nan 8.360 nan 0.000 0.423 181 F N -0.002 119.991 119.950 0.071 0.000 2.639 181 F HA 0.478 5.005 4.527 -0.000 0.000 0.339 181 F C 0.639 176.478 175.800 0.065 0.000 1.071 181 F CA -1.222 56.839 58.000 0.103 0.000 0.994 181 F CB 0.757 39.800 39.000 0.072 0.000 1.341 181 F HN -0.315 nan 8.300 nan 0.000 0.498 182 K N 0.685 121.263 120.400 0.296 0.000 2.401 182 K HA 0.490 4.810 4.320 -0.000 0.000 0.278 182 K C 0.057 176.732 176.600 0.124 0.000 1.018 182 K CA 0.208 56.590 56.287 0.158 0.000 0.981 182 K CB 0.346 32.917 32.500 0.118 0.000 0.933 182 K HN 0.724 nan 8.250 nan 0.000 0.477 183 G N 1.084 109.933 108.800 0.081 0.000 2.828 183 G HA2 0.737 4.697 3.960 -0.000 0.000 0.244 183 G HA3 0.737 4.697 3.960 -0.000 0.000 0.244 183 G C -0.111 174.822 174.900 0.054 0.000 1.365 183 G CA -0.343 44.793 45.100 0.060 0.000 1.041 183 G HN 0.928 nan 8.290 nan 0.000 0.560 184 G N -1.676 107.158 108.800 0.058 0.000 2.347 184 G HA2 0.225 4.185 3.960 -0.000 0.000 0.224 184 G HA3 0.225 4.185 3.960 -0.000 0.000 0.224 184 G C -1.248 173.694 174.900 0.070 0.000 1.318 184 G CA -0.581 44.548 45.100 0.049 0.000 1.016 184 G HN 0.629 nan 8.290 nan 0.000 0.469 185 I N 2.251 122.860 120.570 0.065 0.000 2.365 185 I HA 0.599 4.769 4.170 -0.000 0.000 0.291 185 I C 0.990 177.195 176.117 0.147 0.000 1.004 185 I CA 0.258 61.631 61.300 0.122 0.000 1.311 185 I CB 0.303 38.397 38.000 0.157 0.000 1.401 185 I HN 0.943 nan 8.210 nan 0.000 0.491 186 G N 3.286 112.187 108.800 0.168 0.000 2.612 186 G HA2 0.607 4.567 3.960 -0.000 0.000 0.298 186 G HA3 0.607 4.567 3.960 -0.000 0.000 0.298 186 G C -1.397 173.617 174.900 0.191 0.000 1.336 186 G CA -0.366 44.826 45.100 0.153 0.000 0.953 186 G HN 0.550 nan 8.290 nan 0.000 0.482 187 S N -1.315 114.487 115.700 0.170 0.000 2.570 187 S HA 0.926 5.396 4.470 -0.000 0.000 0.270 187 S C -0.819 173.850 174.600 0.116 0.000 1.149 187 S CA 0.314 58.631 58.200 0.194 0.000 0.837 187 S CB 1.695 65.129 63.200 0.389 0.000 1.124 187 S HN 2.212 nan 8.310 nan 0.000 0.465 188 A N 1.324 124.210 122.820 0.109 0.000 2.567 188 A HA 0.825 5.144 4.320 -0.000 0.000 0.291 188 A C -0.920 176.704 177.584 0.067 0.000 1.048 188 A CA -0.120 51.959 52.037 0.071 0.000 0.661 188 A CB 0.821 19.857 19.000 0.060 0.000 1.288 188 A HN 1.762 nan 8.150 nan 0.000 0.424 189 S N 0.305 116.037 115.700 0.052 0.000 2.618 189 S HA 0.966 5.436 4.470 -0.000 0.000 0.277 189 S C -1.149 173.475 174.600 0.040 0.000 1.138 189 S CA -0.922 57.302 58.200 0.041 0.000 0.844 189 S CB 1.945 65.168 63.200 0.040 0.000 1.127 189 S HN 0.897 nan 8.310 nan 0.000 0.474 190 R N 0.471 120.985 120.500 0.022 0.000 2.698 190 R HA 0.564 4.904 4.340 -0.000 0.000 0.275 190 R C -1.408 174.872 176.300 -0.032 0.000 1.001 190 R CA -0.720 55.395 56.100 0.024 0.000 0.896 190 R CB 1.512 31.836 30.300 0.041 0.000 1.218 190 R HN 0.712 nan 8.270 nan 0.000 0.462 191 I N 2.619 123.176 120.570 -0.021 0.000 2.412 191 I HA 0.460 4.630 4.170 -0.000 0.000 0.296 191 I C 0.237 176.268 176.117 -0.144 0.000 0.987 191 I CA -0.861 60.408 61.300 -0.050 0.000 1.180 191 I CB 1.714 39.714 38.000 0.000 0.000 1.340 191 I HN 0.360 nan 8.210 nan 0.000 0.455 192 V N 2.655 122.461 119.914 -0.179 0.000 2.888 192 V HA 0.611 4.731 4.120 -0.000 0.000 0.309 192 V C -0.774 175.283 176.094 -0.062 0.000 1.114 192 V CA -0.721 61.423 62.300 -0.259 0.000 0.940 192 V CB 2.214 33.704 31.823 -0.555 0.000 1.021 192 V HN 0.865 nan 8.190 nan 0.000 0.426 193 E N 3.572 123.770 120.200 -0.003 0.000 2.133 193 E HA 0.677 5.027 4.350 -0.000 0.000 0.274 193 E C -1.338 175.292 176.600 0.050 0.000 0.930 193 E CA -0.769 55.634 56.400 0.005 0.000 0.770 193 E CB 1.609 31.312 29.700 0.005 0.000 1.104 193 E HN 0.822 nan 8.360 nan 0.000 0.403 194 I N 4.523 125.147 120.570 0.090 0.000 2.411 194 I HA 0.168 4.338 4.170 -0.000 0.000 0.284 194 I C -0.500 175.674 176.117 0.096 0.000 1.012 194 I CA -0.656 60.715 61.300 0.119 0.000 1.119 194 I CB 1.674 39.787 38.000 0.189 0.000 1.261 194 I HN 0.602 nan 8.210 nan 0.000 0.448 195 E N 4.819 125.048 120.200 0.049 0.000 2.230 195 E HA -0.221 4.129 4.350 -0.000 0.000 0.206 195 E C 0.939 177.546 176.600 0.011 0.000 1.309 195 E CA 1.090 57.509 56.400 0.031 0.000 0.697 195 E CB -1.318 28.406 29.700 0.041 0.000 1.146 195 E HN 1.180 nan 8.360 nan 0.000 0.363 196 G N -0.146 108.650 108.800 -0.006 0.000 2.179 196 G HA2 -0.335 3.624 3.960 -0.000 0.000 0.257 196 G HA3 -0.335 3.624 3.960 -0.000 0.000 0.257 196 G C 0.004 174.858 174.900 -0.076 0.000 1.010 196 G CA 0.956 46.037 45.100 -0.031 0.000 0.736 196 G HN 0.169 nan 8.290 nan 0.000 0.513 197 K N -0.102 120.224 120.400 -0.123 0.000 2.468 197 K HA 0.438 4.758 4.320 -0.000 0.000 0.252 197 K C -0.035 176.295 176.600 -0.450 0.000 0.932 197 K CA -0.757 55.347 56.287 -0.304 0.000 0.794 197 K CB 1.829 34.092 32.500 -0.394 0.000 1.241 197 K HN 0.250 nan 8.250 nan 0.000 0.428 198 K N 2.108 122.237 120.400 -0.451 0.000 2.201 198 K HA 0.389 4.709 4.320 -0.000 0.000 0.278 198 K C -0.813 175.474 176.600 -0.521 0.000 1.027 198 K CA -0.429 55.649 56.287 -0.349 0.000 0.909 198 K CB 0.653 33.044 32.500 -0.181 0.000 1.062 198 K HN 0.365 nan 8.250 nan 0.000 0.465 199 Y N -0.085 120.175 120.300 -0.067 0.000 2.512 199 Y HA 0.276 4.825 4.550 -0.000 0.000 0.348 199 Y C 0.061 175.908 175.900 -0.089 0.000 0.990 199 Y CA -0.863 57.194 58.100 -0.072 0.000 1.033 199 Y CB 2.381 40.789 38.460 -0.087 0.000 1.259 199 Y HN 0.429 nan 8.280 nan 0.000 0.461 200 T N 2.530 117.143 114.554 0.099 0.000 2.855 200 T HA 0.628 4.978 4.350 -0.000 0.000 0.281 200 T C -1.013 173.683 174.700 -0.008 0.000 1.007 200 T CA -0.668 61.445 62.100 0.022 0.000 1.009 200 T CB 1.279 70.160 68.868 0.022 0.000 0.983 200 T HN 0.307 nan 8.240 nan 0.000 0.455 201 V N 2.571 122.463 119.914 -0.038 0.000 2.376 201 V HA 0.706 4.826 4.120 -0.000 0.000 0.287 201 V C 0.533 176.607 176.094 -0.034 0.000 1.015 201 V CA -0.644 61.622 62.300 -0.055 0.000 0.834 201 V CB 1.522 33.304 31.823 -0.069 0.000 1.001 201 V HN 1.055 nan 8.190 nan 0.000 0.428 202 G N 3.173 111.945 108.800 -0.046 0.000 2.454 202 G HA2 0.842 4.801 3.960 -0.000 0.000 0.329 202 G HA3 0.842 4.801 3.960 -0.000 0.000 0.329 202 G C -0.822 174.067 174.900 -0.018 0.000 1.177 202 G CA -0.352 44.742 45.100 -0.011 0.000 0.951 202 G HN 1.107 nan 8.290 nan 0.000 0.485 203 A N 0.567 123.405 122.820 0.031 0.000 2.455 203 A HA 0.739 5.059 4.320 -0.000 0.000 0.300 203 A C -1.354 176.281 177.584 0.085 0.000 1.040 203 A CA -0.543 51.517 52.037 0.037 0.000 0.697 203 A CB 1.741 20.765 19.000 0.040 0.000 1.265 203 A HN 1.172 nan 8.150 nan 0.000 0.407 204 L N 3.383 124.649 121.223 0.073 0.000 2.381 204 L HA 0.837 5.177 4.340 -0.000 0.000 0.274 204 L C -0.963 175.959 176.870 0.087 0.000 0.988 204 L CA -0.799 54.100 54.840 0.099 0.000 0.824 204 L CB 1.853 43.934 42.059 0.037 0.000 1.263 204 L HN 0.881 nan 8.230 nan 0.000 0.410 205 V N 2.691 122.673 119.914 0.113 0.000 2.864 205 V HA 0.653 4.773 4.120 -0.000 0.000 0.314 205 V C -1.252 174.912 176.094 0.117 0.000 1.073 205 V CA -0.858 61.506 62.300 0.107 0.000 0.956 205 V CB 1.970 33.867 31.823 0.123 0.000 1.023 205 V HN 0.708 nan 8.190 nan 0.000 0.435 206 L N 4.248 125.535 121.223 0.107 0.000 2.337 206 L HA 0.695 5.035 4.340 -0.000 0.000 0.269 206 L C 0.295 177.245 176.870 0.133 0.000 1.018 206 L CA 0.007 54.909 54.840 0.104 0.000 0.876 206 L CB 1.132 43.238 42.059 0.079 0.000 1.236 206 L HN 1.047 nan 8.230 nan 0.000 0.436 207 S N 2.567 118.360 115.700 0.154 0.000 2.513 207 S HA 0.552 5.022 4.470 -0.000 0.000 0.276 207 S C 0.149 174.826 174.600 0.128 0.000 1.254 207 S CA -0.499 57.830 58.200 0.215 0.000 1.053 207 S CB 0.985 64.300 63.200 0.191 0.000 0.958 207 S HN 0.695 nan 8.310 nan 0.000 0.491 208 N N 1.535 120.343 118.700 0.179 0.000 2.581 208 N HA 0.281 5.021 4.740 -0.000 0.000 0.274 208 N C -1.116 174.436 175.510 0.072 0.000 1.629 208 N CA -0.547 52.541 53.050 0.064 0.000 0.884 208 N CB 0.237 38.772 38.487 0.080 0.000 1.423 208 N HN 0.688 nan 8.380 nan 0.000 0.507 209 F N -1.146 118.687 119.950 -0.196 0.000 2.790 209 F HA 0.946 5.473 4.527 -0.000 0.000 0.337 209 F C 0.473 175.969 175.800 -0.507 0.000 1.163 209 F CA -0.368 57.477 58.000 -0.257 0.000 0.997 209 F CB 0.700 39.566 39.000 -0.224 0.000 1.437 209 F HN 0.110 nan 8.300 nan 0.000 0.512 210 G N 1.379 110.006 108.800 -0.288 0.000 2.722 210 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.686 210 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.686 210 G C -1.186 173.630 174.900 -0.140 0.000 1.282 210 G CA -0.857 43.986 45.100 -0.429 0.000 0.817 210 G HN 0.919 nan 8.290 nan 0.000 0.605 211 R N 0.503 121.115 120.500 0.188 0.000 2.528 211 R HA 0.517 4.857 4.340 -0.000 0.000 0.271 211 R C 1.689 178.112 176.300 0.205 0.000 1.056 211 R CA -0.501 55.680 56.100 0.135 0.000 1.117 211 R CB 0.746 31.135 30.300 0.149 0.000 1.085 211 R HN 0.621 nan 8.270 nan 0.000 0.530 212 R N 1.857 122.393 120.500 0.060 0.000 2.096 212 R HA -0.182 4.158 4.340 -0.000 0.000 0.240 212 R C 1.401 177.765 176.300 0.106 0.000 1.139 212 R CA 2.193 58.305 56.100 0.020 0.000 0.952 212 R CB -0.161 30.064 30.300 -0.125 0.000 0.854 212 R HN 0.699 nan 8.270 nan 0.000 0.436 213 E N 0.003 120.260 120.200 0.096 0.000 2.478 213 E HA -0.121 4.229 4.350 -0.000 0.000 0.198 213 E C 0.528 177.212 176.600 0.140 0.000 1.046 213 E CA 0.851 57.307 56.400 0.093 0.000 0.870 213 E CB -0.155 29.582 29.700 0.061 0.000 0.818 213 E HN 0.453 nan 8.360 nan 0.000 0.527 214 D N 1.004 121.560 120.400 0.260 0.000 2.194 214 D HA -0.025 4.615 4.640 -0.000 0.000 0.204 214 D C 0.830 177.242 176.300 0.188 0.000 0.964 214 D CA -0.048 54.174 54.000 0.370 0.000 0.846 214 D CB -0.230 40.960 40.800 0.651 0.000 0.962 214 D HN 0.137 nan 8.370 nan 0.000 0.490 215 L N 2.073 123.233 121.223 -0.105 0.000 2.776 215 L HA -0.084 4.256 4.340 -0.000 0.000 0.283 215 L C -0.493 176.177 176.870 -0.333 0.000 1.194 215 L CA 0.828 55.238 54.840 -0.715 0.000 0.947 215 L CB -0.265 41.370 42.059 -0.707 0.000 1.255 215 L HN -0.180 nan 8.230 nan 0.000 0.481 216 T N 7.260 121.630 114.554 -0.307 0.000 2.847 216 T HA 0.554 4.904 4.350 -0.000 0.000 0.291 216 T C -0.071 174.521 174.700 -0.179 0.000 0.998 216 T CA -0.250 61.745 62.100 -0.175 0.000 0.967 216 T CB 0.699 69.518 68.868 -0.081 0.000 0.954 216 T HN 0.419 nan 8.240 nan 0.000 0.441 217 I N 2.570 123.033 120.570 -0.178 0.000 2.390 217 I HA 0.473 4.643 4.170 -0.000 0.000 0.283 217 I C 0.755 176.802 176.117 -0.116 0.000 1.016 217 I CA -0.829 60.382 61.300 -0.147 0.000 1.151 217 I CB 1.239 39.138 38.000 -0.167 0.000 1.293 217 I HN 0.920 nan 8.210 nan 0.000 0.458 218 A N 4.753 127.525 122.820 -0.080 0.000 2.791 218 A HA -0.120 4.200 4.320 -0.000 0.000 0.292 218 A C 1.462 179.007 177.584 -0.066 0.000 1.487 218 A CA 1.009 53.010 52.037 -0.059 0.000 0.760 218 A CB -1.828 17.140 19.000 -0.054 0.000 1.031 218 A HN 1.740 nan 8.150 nan 0.000 0.503 219 G N -3.711 105.045 108.800 -0.073 0.000 2.253 219 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.251 219 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.251 219 G C 0.451 175.277 174.900 -0.123 0.000 0.998 219 G CA 0.433 45.490 45.100 -0.070 0.000 0.621 219 G HN 1.869 nan 8.290 nan 0.000 0.524 220 V N 3.179 122.978 119.914 -0.193 0.000 2.461 220 V HA 0.408 4.528 4.120 -0.000 0.000 0.275 220 V C -1.172 174.726 176.094 -0.327 0.000 1.047 220 V CA -0.921 61.155 62.300 -0.374 0.000 0.955 220 V CB 1.457 33.018 31.823 -0.436 0.000 0.988 220 V HN 0.221 nan 8.190 nan 0.000 0.471 221 P HA 0.066 nan 4.420 nan 0.000 0.231 221 P C 1.035 178.226 177.300 -0.181 0.000 1.756 221 P CA 0.131 63.117 63.100 -0.189 0.000 0.990 221 P CB 0.359 31.995 31.700 -0.107 0.000 1.973 222 V N 1.396 121.188 119.914 -0.204 0.000 2.568 222 V HA -0.202 3.918 4.120 -0.000 0.000 0.253 222 V C 2.725 178.778 176.094 -0.069 0.000 1.072 222 V CA 2.532 64.736 62.300 -0.160 0.000 1.084 222 V CB -1.444 30.260 31.823 -0.199 0.000 0.676 222 V HN 0.369 nan 8.190 nan 0.000 0.469 223 G N -0.190 108.572 108.800 -0.062 0.000 2.404 223 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.215 223 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.215 223 G C 1.554 176.486 174.900 0.054 0.000 1.174 223 G CA 0.801 45.916 45.100 0.024 0.000 0.780 223 G HN 0.472 nan 8.290 nan 0.000 0.537 224 L N 0.184 121.426 121.223 0.031 0.000 2.056 224 L HA -0.021 4.319 4.340 -0.000 0.000 0.207 224 L C 2.887 179.796 176.870 0.065 0.000 1.078 224 L CA 0.865 55.734 54.840 0.048 0.000 0.749 224 L CB -0.311 41.775 42.059 0.044 0.000 0.901 224 L HN 0.128 nan 8.230 nan 0.000 0.433 225 E N 0.126 120.359 120.200 0.056 0.000 2.204 225 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 225 E C 1.385 178.048 176.600 0.105 0.000 0.990 225 E CA 1.077 57.525 56.400 0.080 0.000 0.821 225 E CB 0.004 29.742 29.700 0.062 0.000 0.750 225 E HN 0.315 nan 8.360 nan 0.000 0.477 226 L N 0.414 121.711 121.223 0.124 0.000 2.928 226 L HA 0.143 4.482 4.340 -0.000 0.000 0.246 226 L C 1.507 178.514 176.870 0.228 0.000 1.239 226 L CA 0.097 55.069 54.840 0.220 0.000 1.035 226 L CB 0.212 42.425 42.059 0.257 0.000 1.360 226 L HN -0.153 nan 8.230 nan 0.000 0.529 227 K N 0.332 120.815 120.400 0.138 0.000 2.032 227 K HA -0.235 4.085 4.320 -0.000 0.000 0.218 227 K C 1.245 177.898 176.600 0.088 0.000 1.054 227 K CA 2.419 58.758 56.287 0.087 0.000 0.941 227 K CB -0.212 32.325 32.500 0.062 0.000 0.720 227 K HN 0.464 nan 8.250 nan 0.000 0.449 228 N N -0.646 118.118 118.700 0.107 0.000 2.461 228 N HA -0.077 4.663 4.740 -0.000 0.000 0.188 228 N C -0.308 175.253 175.510 0.085 0.000 1.134 228 N CA -0.373 52.719 53.050 0.070 0.000 0.878 228 N CB 0.095 38.605 38.487 0.039 0.000 0.972 228 N HN 0.249 nan 8.380 nan 0.000 0.456 229 W N 3.424 124.729 121.300 0.009 0.000 2.264 229 W HA 0.062 4.722 4.660 -0.000 0.000 0.331 229 W C -2.215 174.277 176.519 -0.045 0.000 1.364 229 W CA -1.316 56.040 57.345 0.018 0.000 1.253 229 W CB 0.366 29.936 29.460 0.183 0.000 1.215 229 W HN 0.026 nan 8.180 nan 0.000 0.561 230 P HA 0.055 nan 4.420 nan 0.000 0.271 230 P C 0.354 177.719 177.300 0.107 0.000 1.233 230 P CA 1.976 64.925 63.100 -0.251 0.000 0.795 230 P CB 0.298 31.599 31.700 -0.666 0.000 0.936 231 G N -0.937 108.009 108.800 0.244 0.000 2.159 231 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.227 231 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.227 231 G C 0.135 175.100 174.900 0.108 0.000 0.986 231 G CA -0.462 44.843 45.100 0.342 0.000 0.651 231 G HN 0.527 nan 8.290 nan 0.000 0.523 232 R N 0.227 120.743 120.500 0.026 0.000 2.539 232 R HA 0.567 4.906 4.340 -0.000 0.000 0.275 232 R C 0.750 177.014 176.300 -0.061 0.000 1.077 232 R CA 0.835 56.897 56.100 -0.062 0.000 1.097 232 R CB 1.006 31.269 30.300 -0.062 0.000 1.018 232 R HN 1.226 nan 8.270 nan 0.000 0.483 240 I N 4.283 124.867 120.570 0.024 0.000 2.752 240 I HA 0.474 4.644 4.170 -0.000 0.000 0.290 240 I C -2.145 173.969 176.117 -0.004 0.000 1.507 240 I CA -0.810 60.509 61.300 0.032 0.000 1.038 240 I CB 1.235 39.207 38.000 -0.046 0.000 1.390 240 I HN 0.653 nan 8.210 nan 0.000 0.435 241 I N 7.235 127.822 120.570 0.029 0.000 2.433 241 I HA 0.463 4.633 4.170 -0.000 0.000 0.292 241 I C -0.507 175.628 176.117 0.031 0.000 1.001 241 I CA -0.574 60.737 61.300 0.019 0.000 1.119 241 I CB 1.624 39.639 38.000 0.025 0.000 1.289 241 I HN 0.598 nan 8.210 nan 0.000 0.438 242 M N 6.526 126.140 119.600 0.024 0.000 2.181 242 M HA 0.502 4.981 4.480 -0.000 0.000 0.323 242 M C -0.813 175.510 176.300 0.038 0.000 1.004 242 M CA -0.379 54.941 55.300 0.035 0.000 0.941 242 M CB 2.159 34.775 32.600 0.027 0.000 1.579 242 M HN 0.206 nan 8.290 nan 0.000 0.427 243 I N 5.208 125.802 120.570 0.041 0.000 2.330 243 I HA 0.441 4.611 4.170 -0.000 0.000 0.289 243 I C -0.523 175.593 176.117 -0.001 0.000 1.001 243 I CA -0.549 60.780 61.300 0.049 0.000 1.193 243 I CB 1.030 39.075 38.000 0.075 0.000 1.345 243 I HN 0.566 nan 8.210 nan 0.000 0.461 244 I N 5.135 125.673 120.570 -0.052 0.000 2.412 244 I HA 0.678 4.848 4.170 -0.000 0.000 0.296 244 I C 0.375 176.227 176.117 -0.442 0.000 0.987 244 I CA -0.701 60.508 61.300 -0.152 0.000 1.180 244 I CB 1.515 39.459 38.000 -0.093 0.000 1.340 244 I HN 0.579 nan 8.210 nan 0.000 0.455 245 A N 3.990 126.523 122.820 -0.479 0.000 2.435 245 A HA 0.868 5.187 4.320 -0.000 0.000 0.304 245 A C -0.432 176.928 177.584 -0.374 0.000 1.064 245 A CA -0.566 50.991 52.037 -0.800 0.000 0.727 245 A CB 2.111 20.692 19.000 -0.699 0.000 1.284 245 A HN 0.705 nan 8.150 nan 0.000 0.415 246 T N -0.355 114.012 114.554 -0.312 0.000 2.889 246 T HA 0.468 4.818 4.350 -0.000 0.000 0.315 246 T C -1.036 173.633 174.700 -0.051 0.000 1.291 246 T CA 0.115 62.135 62.100 -0.133 0.000 1.028 246 T CB 1.452 70.246 68.868 -0.123 0.000 1.235 246 T HN 0.747 nan 8.240 nan 0.000 0.491 247 D N 1.366 121.777 120.400 0.018 0.000 2.363 247 D HA 0.313 4.953 4.640 -0.000 0.000 0.214 247 D C 0.641 176.998 176.300 0.094 0.000 1.093 247 D CA -0.276 53.773 54.000 0.081 0.000 0.837 247 D CB -0.010 40.859 40.800 0.116 0.000 0.948 247 D HN 0.592 nan 8.370 nan 0.000 0.507 248 A N 2.113 124.898 122.820 -0.058 0.000 2.363 248 A HA 0.472 4.792 4.320 -0.000 0.000 0.270 248 A C -2.316 175.143 177.584 -0.208 0.000 1.121 248 A CA -1.305 50.513 52.037 -0.365 0.000 0.800 248 A CB 0.300 18.921 19.000 -0.632 0.000 1.052 248 A HN 0.038 nan 8.150 nan 0.000 0.493 249 P HA 0.360 nan 4.420 nan 0.000 0.271 249 P C -1.113 176.129 177.300 -0.097 0.000 1.233 249 P CA 0.453 63.505 63.100 -0.079 0.000 0.764 249 P CB 0.414 32.093 31.700 -0.035 0.000 0.825 250 L N 2.496 123.691 121.223 -0.047 0.000 2.472 250 L HA 0.397 4.737 4.340 -0.000 0.000 0.260 250 L C 1.000 177.875 176.870 0.008 0.000 0.963 250 L CA -0.780 54.042 54.840 -0.030 0.000 0.829 250 L CB 2.426 44.466 42.059 -0.032 0.000 1.348 250 L HN 0.290 nan 8.230 nan 0.000 0.408 251 T N -1.543 113.020 114.554 0.014 0.000 2.754 251 T HA 0.243 4.593 4.350 -0.000 0.000 0.286 251 T C 1.349 176.078 174.700 0.049 0.000 0.997 251 T CA 0.133 62.251 62.100 0.029 0.000 0.982 251 T CB 1.335 70.218 68.868 0.024 0.000 1.027 251 T HN 0.708 nan 8.240 nan 0.000 0.529 252 G N -0.012 108.823 108.800 0.058 0.000 2.446 252 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 252 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 252 G C 1.577 176.532 174.900 0.090 0.000 1.168 252 G CA 0.940 46.090 45.100 0.082 0.000 0.771 252 G HN 0.882 nan 8.290 nan 0.000 0.551 253 R N 0.232 120.774 120.500 0.070 0.000 2.096 253 R HA -0.148 4.192 4.340 -0.000 0.000 0.240 253 R C 2.667 179.007 176.300 0.066 0.000 1.139 253 R CA 2.002 58.139 56.100 0.062 0.000 0.952 253 R CB -0.373 29.951 30.300 0.041 0.000 0.854 253 R HN 0.476 nan 8.270 nan 0.000 0.436 254 Q N 0.088 119.928 119.800 0.066 0.000 2.170 254 Q HA -0.123 4.217 4.340 -0.000 0.000 0.203 254 Q C 2.218 178.278 176.000 0.100 0.000 0.976 254 Q CA 1.344 57.199 55.803 0.087 0.000 0.858 254 Q CB -0.008 28.765 28.738 0.057 0.000 0.907 254 Q HN 0.413 nan 8.270 nan 0.000 0.433 255 L N 0.622 121.896 121.223 0.085 0.000 2.217 255 L HA -0.126 4.214 4.340 -0.000 0.000 0.211 255 L C 1.851 178.779 176.870 0.097 0.000 1.107 255 L CA 0.363 55.255 54.840 0.087 0.000 0.783 255 L CB -0.249 41.865 42.059 0.093 0.000 0.919 255 L HN 0.229 nan 8.230 nan 0.000 0.442 256 N N 0.336 119.102 118.700 0.110 0.000 2.216 256 N HA -0.104 4.636 4.740 -0.000 0.000 0.183 256 N C 1.904 177.423 175.510 0.016 0.000 1.017 256 N CA 0.975 54.102 53.050 0.128 0.000 0.861 256 N CB -0.042 38.526 38.487 0.135 0.000 0.986 256 N HN 0.334 nan 8.380 nan 0.000 0.428 257 R N 0.341 120.829 120.500 -0.020 0.000 2.073 257 R HA -0.003 4.337 4.340 -0.000 0.000 0.234 257 R C 2.168 178.299 176.300 -0.283 0.000 1.134 257 R CA 0.871 56.872 56.100 -0.166 0.000 0.952 257 R CB -0.584 29.698 30.300 -0.031 0.000 0.850 257 R HN 0.006 nan 8.270 nan 0.000 0.433 258 V N 1.480 121.356 119.914 -0.063 0.000 2.287 258 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 258 V C 2.543 178.594 176.094 -0.072 0.000 1.053 258 V CA 2.031 64.313 62.300 -0.029 0.000 1.027 258 V CB -0.823 31.046 31.823 0.076 0.000 0.646 258 V HN 0.438 nan 8.190 nan 0.000 0.447 259 A N -0.481 122.332 122.820 -0.012 0.000 1.917 259 A HA -0.296 4.024 4.320 -0.000 0.000 0.219 259 A C 2.287 179.876 177.584 0.008 0.000 1.182 259 A CA 2.213 54.279 52.037 0.049 0.000 0.633 259 A CB -0.510 18.586 19.000 0.160 0.000 0.819 259 A HN 0.556 nan 8.150 nan 0.000 0.448 260 K N -1.036 119.257 120.400 -0.177 0.000 2.147 260 K HA -0.101 4.219 4.320 -0.000 0.000 0.205 260 K C 1.996 178.412 176.600 -0.307 0.000 1.049 260 K CA 0.954 56.972 56.287 -0.448 0.000 0.936 260 K CB -0.111 31.955 32.500 -0.724 0.000 0.722 260 K HN 0.235 nan 8.250 nan 0.000 0.446 261 R N 0.202 120.532 120.500 -0.284 0.000 2.237 261 R HA 0.004 4.344 4.340 -0.000 0.000 0.219 261 R C 1.981 178.227 176.300 -0.089 0.000 1.080 261 R CA 0.829 56.798 56.100 -0.217 0.000 0.995 261 R CB -0.600 29.556 30.300 -0.239 0.000 0.875 261 R HN 0.192 nan 8.270 nan 0.000 0.462 262 A N 1.309 124.099 122.820 -0.049 0.000 2.019 262 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 262 A C 1.933 179.512 177.584 -0.008 0.000 1.164 262 A CA 0.887 52.921 52.037 -0.005 0.000 0.644 262 A CB -0.275 18.739 19.000 0.023 0.000 0.805 262 A HN 0.059 nan 8.150 nan 0.000 0.449 263 I N -0.051 120.516 120.570 -0.006 0.000 2.493 263 I HA -0.135 4.035 4.170 -0.000 0.000 0.254 263 I C 2.338 178.427 176.117 -0.046 0.000 1.160 263 I CA 0.869 62.163 61.300 -0.009 0.000 1.445 263 I CB -1.332 36.701 38.000 0.055 0.000 1.086 263 I HN 0.132 nan 8.210 nan 0.000 0.433 264 V N 1.412 121.295 119.914 -0.051 0.000 2.343 264 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 264 V C 2.699 178.775 176.094 -0.030 0.000 1.051 264 V CA 2.029 64.302 62.300 -0.046 0.000 1.036 264 V CB -1.412 30.388 31.823 -0.038 0.000 0.654 264 V HN 0.486 nan 8.190 nan 0.000 0.451 265 G N -0.111 108.681 108.800 -0.013 0.000 2.402 265 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 265 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 265 G C 1.570 176.474 174.900 0.007 0.000 1.162 265 G CA 1.070 46.175 45.100 0.008 0.000 0.777 265 G HN 0.430 nan 8.290 nan 0.000 0.539 266 L N 1.610 122.818 121.223 -0.025 0.000 1.989 266 L HA 0.079 4.419 4.340 -0.000 0.000 0.211 266 L C 3.039 179.866 176.870 -0.072 0.000 1.071 266 L CA 2.414 57.215 54.840 -0.064 0.000 0.749 266 L CB -0.942 41.007 42.059 -0.185 0.000 0.890 266 L HN 0.230 nan 8.230 nan 0.000 0.431 267 A N -0.426 122.322 122.820 -0.120 0.000 1.940 267 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 267 A C 2.401 179.896 177.584 -0.148 0.000 1.176 267 A CA 1.959 53.884 52.037 -0.187 0.000 0.631 267 A CB -0.639 18.264 19.000 -0.162 0.000 0.814 267 A HN 0.565 nan 8.150 nan 0.000 0.446 268 R N -0.675 119.785 120.500 -0.067 0.000 2.237 268 R HA -0.064 4.276 4.340 -0.000 0.000 0.219 268 R C 1.824 178.114 176.300 -0.016 0.000 1.080 268 R CA 1.497 57.572 56.100 -0.040 0.000 0.995 268 R CB -0.359 29.929 30.300 -0.020 0.000 0.875 268 R HN 0.742 nan 8.270 nan 0.000 0.462 269 T N -3.858 110.721 114.554 0.043 0.000 3.086 269 T HA 0.229 4.579 4.350 -0.000 0.000 0.250 269 T C 1.143 175.924 174.700 0.135 0.000 1.074 269 T CA 0.421 62.569 62.100 0.079 0.000 0.988 269 T CB 1.003 70.000 68.868 0.215 0.000 0.988 269 T HN 0.316 nan 8.240 nan 0.000 0.530 270 G N 0.268 109.133 108.800 0.109 0.000 2.143 270 G HA2 0.017 3.977 3.960 -0.000 0.000 0.175 270 G HA3 0.017 3.977 3.960 -0.000 0.000 0.175 270 G C 0.260 175.293 174.900 0.222 0.000 1.004 270 G CA -0.497 44.707 45.100 0.174 0.000 0.671 270 G HN 0.949 nan 8.290 nan 0.000 0.512 271 G N -0.365 108.478 108.800 0.071 0.000 2.356 271 G HA2 0.513 4.473 3.960 -0.000 0.000 0.300 271 G HA3 0.513 4.473 3.960 -0.000 0.000 0.300 271 G C 0.219 174.867 174.900 -0.419 0.000 1.107 271 G CA -0.402 44.660 45.100 -0.063 0.000 0.960 271 G HN 0.307 nan 8.290 nan 0.000 0.418 272 Y N 1.907 122.036 120.300 -0.285 0.000 2.467 272 Y HA 0.392 4.942 4.550 -0.000 0.000 0.250 272 Y C 1.655 177.344 175.900 -0.353 0.000 1.155 272 Y CA 0.003 57.905 58.100 -0.330 0.000 1.249 272 Y CB 0.487 38.700 38.460 -0.411 0.000 1.146 272 Y HN 0.834 nan 8.280 nan 0.000 0.524 273 A N -0.230 122.428 122.820 -0.270 0.000 2.416 273 A HA -0.273 4.047 4.320 -0.000 0.000 0.293 273 A C -0.408 177.139 177.584 -0.063 0.000 1.452 273 A CA 0.041 51.977 52.037 -0.168 0.000 0.738 273 A CB -2.814 16.127 19.000 -0.098 0.000 1.123 273 A HN 0.368 nan 8.150 nan 0.000 0.389 274 Y N -0.183 120.148 120.300 0.052 0.000 2.469 274 Y HA 0.120 4.670 4.550 -0.000 0.000 0.353 274 Y C 1.842 177.732 175.900 -0.017 0.000 1.269 274 Y CA 0.423 58.535 58.100 0.020 0.000 1.504 274 Y CB 0.094 38.554 38.460 -0.000 0.000 1.369 274 Y HN 0.722 nan 8.280 nan 0.000 0.654 275 N N 0.494 119.293 118.700 0.165 0.000 2.060 275 N HA -0.175 4.565 4.740 -0.000 0.000 0.195 275 N C 1.676 177.158 175.510 -0.047 0.000 1.028 275 N CA 1.990 55.082 53.050 0.070 0.000 0.861 275 N CB -0.518 37.995 38.487 0.044 0.000 1.029 275 N HN 0.836 nan 8.380 nan 0.000 0.428 276 G N -1.282 107.362 108.800 -0.260 0.000 3.233 276 G HA2 0.075 4.035 3.960 -0.000 0.000 0.227 276 G HA3 0.075 4.035 3.960 -0.000 0.000 0.227 276 G C -0.232 174.429 174.900 -0.398 0.000 1.175 276 G CA -0.197 44.416 45.100 -0.811 0.000 0.781 276 G HN 0.308 nan 8.290 nan 0.000 0.542 277 S N 0.525 116.172 115.700 -0.088 0.000 2.411 277 S HA 0.509 4.979 4.470 -0.000 0.000 0.294 277 S C 0.784 175.403 174.600 0.032 0.000 1.115 277 S CA -0.388 57.809 58.200 -0.005 0.000 1.071 277 S CB 0.631 63.839 63.200 0.014 0.000 0.967 277 S HN 0.282 nan 8.310 nan 0.000 0.488 278 G N 3.983 112.822 108.800 0.065 0.000 2.605 278 G HA2 0.285 4.245 3.960 -0.000 0.000 0.301 278 G HA3 0.285 4.245 3.960 -0.000 0.000 0.301 278 G C -0.825 174.069 174.900 -0.009 0.000 0.881 278 G CA -0.502 44.638 45.100 0.066 0.000 1.553 278 G HN 0.674 nan 8.290 nan 0.000 0.483 279 D N 2.100 122.466 120.400 -0.057 0.000 2.373 279 D HA 0.489 5.129 4.640 -0.000 0.000 0.227 279 D C 0.151 176.388 176.300 -0.106 0.000 1.091 279 D CA 0.129 54.063 54.000 -0.110 0.000 0.840 279 D CB 1.757 42.457 40.800 -0.167 0.000 1.060 279 D HN 0.248 nan 8.370 nan 0.000 0.502 280 I N 0.967 121.494 120.570 -0.072 0.000 2.722 280 I HA 0.609 4.779 4.170 -0.000 0.000 0.295 280 I C -0.709 175.405 176.117 -0.006 0.000 1.161 280 I CA -1.087 60.178 61.300 -0.057 0.000 1.032 280 I CB 2.210 40.180 38.000 -0.049 0.000 1.244 280 I HN 0.290 nan 8.210 nan 0.000 0.421 281 A N 5.427 128.274 122.820 0.044 0.000 2.355 281 A HA 0.866 5.185 4.320 -0.000 0.000 0.317 281 A C -1.178 176.455 177.584 0.083 0.000 1.094 281 A CA -0.541 51.542 52.037 0.077 0.000 0.764 281 A CB 1.641 20.717 19.000 0.127 0.000 1.230 281 A HN 0.400 nan 8.150 nan 0.000 0.448 282 V N 1.629 121.580 119.914 0.062 0.000 2.483 282 V HA 0.719 4.839 4.120 -0.000 0.000 0.297 282 V C 0.223 176.374 176.094 0.095 0.000 1.027 282 V CA -0.212 62.129 62.300 0.068 0.000 0.855 282 V CB 1.405 33.255 31.823 0.045 0.000 0.995 282 V HN 1.285 nan 8.190 nan 0.000 0.424 283 A N 5.480 128.360 122.820 0.100 0.000 2.350 283 A HA 1.044 5.364 4.320 -0.000 0.000 0.324 283 A C -1.016 176.653 177.584 0.141 0.000 1.118 283 A CA -0.474 51.591 52.037 0.046 0.000 0.783 283 A CB 1.353 20.364 19.000 0.019 0.000 1.236 283 A HN 1.177 nan 8.150 nan 0.000 0.457 284 F N 0.113 120.072 119.950 0.015 0.000 2.645 284 F HA 0.826 5.353 4.527 -0.000 0.000 0.310 284 F C -0.446 175.365 175.800 0.018 0.000 1.102 284 F CA -0.850 57.159 58.000 0.014 0.000 0.952 284 F CB 1.352 40.355 39.000 0.004 0.000 1.326 284 F HN 0.512 nan 8.300 nan 0.000 0.456 285 S N -0.216 115.638 115.700 0.256 0.000 2.532 285 S HA 0.541 5.011 4.470 -0.000 0.000 0.301 285 S C 0.383 175.143 174.600 0.266 0.000 1.083 285 S CA 0.106 58.394 58.200 0.146 0.000 1.025 285 S CB 1.422 64.660 63.200 0.065 0.000 1.056 285 S HN 1.076 nan 8.310 nan 0.000 0.494 286 T N 1.189 115.868 114.554 0.208 0.000 3.086 286 T HA 0.304 4.654 4.350 -0.000 0.000 0.250 286 T C 1.628 176.402 174.700 0.123 0.000 1.074 286 T CA 0.394 62.621 62.100 0.211 0.000 0.988 286 T CB -0.022 68.972 68.868 0.210 0.000 0.988 286 T HN 0.602 nan 8.240 nan 0.000 0.530 287 A N 2.328 125.204 122.820 0.095 0.000 1.969 287 A HA 0.100 4.420 4.320 -0.000 0.000 0.218 287 A C 1.138 178.753 177.584 0.052 0.000 1.169 287 A CA 0.546 52.623 52.037 0.067 0.000 0.635 287 A CB -0.208 18.823 19.000 0.050 0.000 0.810 287 A HN 0.522 nan 8.150 nan 0.000 0.445 288 N N 0.552 119.286 118.700 0.056 0.000 2.524 288 N HA 0.277 5.017 4.740 -0.000 0.000 0.261 288 N C -1.197 174.339 175.510 0.043 0.000 0.998 288 N CA -0.218 52.856 53.050 0.041 0.000 0.915 288 N CB 1.313 39.821 38.487 0.034 0.000 1.187 288 N HN 0.290 nan 8.380 nan 0.000 0.507 289 R N 1.780 122.294 120.500 0.024 0.000 2.297 289 R HA 0.442 4.782 4.340 -0.000 0.000 0.308 289 R C -0.065 176.242 176.300 0.013 0.000 1.029 289 R CA -0.514 55.597 56.100 0.018 0.000 0.929 289 R CB 1.333 31.616 30.300 -0.027 0.000 1.046 289 R HN 0.391 nan 8.270 nan 0.000 0.461 290 I N 3.614 124.193 120.570 0.015 0.000 2.330 290 I HA 0.227 4.397 4.170 -0.000 0.000 0.289 290 I C 0.260 176.372 176.117 -0.008 0.000 1.001 290 I CA -0.687 60.612 61.300 -0.001 0.000 1.193 290 I CB 1.154 39.148 38.000 -0.010 0.000 1.345 290 I HN 0.386 nan 8.210 nan 0.000 0.461 291 K N 4.495 124.892 120.400 -0.004 0.000 2.349 291 K HA 0.065 4.385 4.320 -0.000 0.000 0.288 291 K C 1.037 177.624 176.600 -0.023 0.000 1.058 291 K CA -0.284 56.011 56.287 0.014 0.000 0.953 291 K CB 0.979 33.504 32.500 0.042 0.000 0.997 291 K HN 0.429 nan 8.250 nan 0.000 0.477 292 H N 2.439 121.399 119.070 -0.183 0.000 2.362 292 H HA -0.223 4.333 4.556 -0.000 0.000 0.294 292 H C 0.449 175.557 175.328 -0.368 0.000 1.113 292 H CA 2.113 57.929 56.048 -0.387 0.000 1.253 292 H CB 0.104 29.480 29.762 -0.644 0.000 1.363 292 H HN 0.630 nan 8.280 nan 0.000 0.494 293 Y N 0.185 120.455 120.300 -0.049 0.000 2.493 293 Y HA 0.160 4.710 4.550 -0.000 0.000 0.275 293 Y C 0.662 176.523 175.900 -0.065 0.000 1.183 293 Y CA 0.030 58.085 58.100 -0.075 0.000 1.258 293 Y CB -0.117 38.352 38.460 0.014 0.000 1.108 293 Y HN 0.176 nan 8.280 nan 0.000 0.521 294 E N 1.458 121.682 120.200 0.040 0.000 2.481 294 E HA -0.039 4.311 4.350 -0.000 0.000 0.263 294 E C 0.496 177.101 176.600 0.008 0.000 0.992 294 E CA 0.768 57.182 56.400 0.022 0.000 0.938 294 E CB 0.546 30.244 29.700 -0.005 0.000 0.933 294 E HN 0.296 nan 8.360 nan 0.000 0.453 295 K N 2.579 122.988 120.400 0.015 0.000 2.538 295 K HA 0.153 4.473 4.320 -0.000 0.000 0.215 295 K C -0.307 176.294 176.600 0.003 0.000 1.345 295 K CA -0.068 56.223 56.287 0.007 0.000 0.985 295 K CB 0.727 33.236 32.500 0.016 0.000 1.116 295 K HN 0.504 nan 8.250 nan 0.000 0.582 296 E N 1.704 121.907 120.200 0.005 0.000 2.283 296 E HA 0.210 4.560 4.350 -0.000 0.000 0.271 296 E C -0.386 176.215 176.600 0.001 0.000 1.031 296 E CA -0.613 55.789 56.400 0.003 0.000 0.868 296 E CB 2.033 31.736 29.700 0.004 0.000 1.094 296 E HN -0.223 nan 8.360 nan 0.000 0.401 297 V N 3.505 123.419 119.914 0.000 0.000 2.644 297 V HA -0.054 4.066 4.120 -0.000 0.000 0.305 297 V C 0.528 176.622 176.094 0.001 0.000 1.053 297 V CA 0.736 63.036 62.300 -0.000 0.000 1.186 297 V CB -0.612 31.212 31.823 0.001 0.000 0.895 297 V HN 0.466 nan 8.190 nan 0.000 0.490 298 I N 1.774 122.345 120.570 0.001 0.000 2.982 298 I HA 0.721 4.891 4.170 -0.000 0.000 0.312 298 I C -0.315 175.804 176.117 0.003 0.000 1.041 298 I CA -0.943 60.358 61.300 0.002 0.000 1.053 298 I CB 2.071 40.072 38.000 0.001 0.000 1.248 298 I HN 0.473 nan 8.210 nan 0.000 0.471 299 E N 3.697 123.900 120.200 0.005 0.000 2.145 299 E HA 0.423 4.773 4.350 -0.000 0.000 0.262 299 E C -1.094 175.510 176.600 0.007 0.000 0.883 299 E CA -0.724 55.680 56.400 0.006 0.000 0.748 299 E CB 1.983 31.686 29.700 0.006 0.000 1.140 299 E HN 0.379 nan 8.360 nan 0.000 0.417 300 I N 3.475 124.049 120.570 0.007 0.000 2.325 300 I HA 0.146 4.316 4.170 -0.000 0.000 0.291 300 I C 0.464 176.585 176.117 0.008 0.000 1.019 300 I CA -0.417 60.889 61.300 0.009 0.000 1.302 300 I CB 0.498 38.504 38.000 0.009 0.000 1.401 300 I HN 0.307 nan 8.210 nan 0.000 0.485 301 K N 5.088 125.494 120.400 0.010 0.000 2.298 301 K HA 0.672 4.992 4.320 -0.000 0.000 0.280 301 K C -0.294 176.305 176.600 -0.001 0.000 1.032 301 K CA -0.289 56.004 56.287 0.010 0.000 0.958 301 K CB 1.316 33.827 32.500 0.019 0.000 0.978 301 K HN 0.790 nan 8.250 nan 0.000 0.472 302 A N 3.286 126.100 122.820 -0.010 0.000 2.555 302 A HA 0.365 4.685 4.320 -0.000 0.000 0.297 302 A C -1.134 176.425 177.584 -0.040 0.000 1.060 302 A CA -0.854 51.166 52.037 -0.029 0.000 0.710 302 A CB 0.757 19.746 19.000 -0.018 0.000 1.282 302 A HN 0.609 nan 8.150 nan 0.000 0.399 303 L N 3.462 124.638 121.223 -0.078 0.000 2.397 303 L HA 0.379 4.719 4.340 -0.000 0.000 0.271 303 L C -1.725 175.104 176.870 -0.069 0.000 1.148 303 L CA -1.614 53.174 54.840 -0.086 0.000 0.825 303 L CB 0.897 42.859 42.059 -0.162 0.000 1.117 303 L HN 0.517 nan 8.230 nan 0.000 0.456 304 P HA 0.004 nan 4.420 nan 0.000 0.271 304 P C -0.296 176.964 177.300 -0.066 0.000 1.216 304 P CA -0.272 62.801 63.100 -0.044 0.000 0.771 304 P CB 0.933 32.614 31.700 -0.031 0.000 0.864 305 D N 1.758 122.125 120.400 -0.055 0.000 2.239 305 D HA -0.152 4.488 4.640 -0.000 0.000 0.202 305 D C 1.779 178.021 176.300 -0.096 0.000 0.993 305 D CA 1.865 55.823 54.000 -0.071 0.000 0.874 305 D CB -0.162 40.626 40.800 -0.020 0.000 0.922 305 D HN 0.485 nan 8.370 nan 0.000 0.464 306 S N 0.256 115.917 115.700 -0.065 0.000 2.507 306 S HA -0.098 4.372 4.470 -0.000 0.000 0.235 306 S C 1.858 176.410 174.600 -0.080 0.000 0.988 306 S CA 0.922 59.086 58.200 -0.060 0.000 0.944 306 S CB -0.170 63.010 63.200 -0.034 0.000 0.762 306 S HN 0.235 nan 8.310 nan 0.000 0.526 307 V N -0.692 119.162 119.914 -0.101 0.000 3.319 307 V HA 0.480 4.599 4.120 -0.000 0.000 0.317 307 V C 1.100 177.095 176.094 -0.166 0.000 1.411 307 V CA -0.238 62.002 62.300 -0.100 0.000 1.112 307 V CB -0.668 31.120 31.823 -0.058 0.000 1.031 307 V HN 0.663 nan 8.190 nan 0.000 0.448 308 I N -2.722 117.681 120.570 -0.278 0.000 3.928 308 I HA 0.313 4.483 4.170 -0.000 0.000 0.335 308 I C 1.741 177.464 176.117 -0.655 0.000 1.325 308 I CA 0.242 61.284 61.300 -0.430 0.000 1.107 308 I CB 0.055 37.766 38.000 -0.483 0.000 1.014 308 I HN 0.055 nan 8.210 nan 0.000 0.400 309 S N 2.533 117.944 115.700 -0.481 0.000 2.383 309 S HA -0.030 4.439 4.470 -0.000 0.000 0.229 309 S C -0.462 174.059 174.600 -0.132 0.000 1.030 309 S CA 1.539 59.521 58.200 -0.364 0.000 1.002 309 S CB -1.075 62.059 63.200 -0.111 0.000 0.829 309 S HN 0.436 nan 8.310 nan 0.000 0.467 310 P HA -0.040 nan 4.420 nan 0.000 0.216 310 P C 1.233 178.472 177.300 -0.103 0.000 1.150 310 P CA 0.869 63.987 63.100 0.030 0.000 0.837 310 P CB -0.084 31.613 31.700 -0.005 0.000 0.786 311 L N -2.783 118.338 121.223 -0.170 0.000 2.141 311 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 311 L C 2.240 179.171 176.870 0.103 0.000 1.094 311 L CA 1.057 55.829 54.840 -0.115 0.000 0.763 311 L CB -0.830 41.136 42.059 -0.154 0.000 0.908 311 L HN -0.064 nan 8.230 nan 0.000 0.437 312 F N 0.735 120.666 119.950 -0.032 0.000 2.146 312 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 312 F C 2.608 178.423 175.800 0.024 0.000 1.096 312 F CA 1.215 59.207 58.000 -0.014 0.000 1.275 312 F CB -0.875 38.118 39.000 -0.012 0.000 1.008 312 F HN 0.075 nan 8.300 nan 0.000 0.480 313 K N 0.533 121.103 120.400 0.283 0.000 2.025 313 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 313 K C 2.252 179.013 176.600 0.268 0.000 1.049 313 K CA 1.276 57.727 56.287 0.273 0.000 0.933 313 K CB -0.290 32.434 32.500 0.373 0.000 0.714 313 K HN 0.087 nan 8.250 nan 0.000 0.438 314 A N 0.753 123.694 122.820 0.201 0.000 1.940 314 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 314 A C 2.159 179.787 177.584 0.073 0.000 1.176 314 A CA 2.210 54.296 52.037 0.081 0.000 0.631 314 A CB -1.052 17.794 19.000 -0.256 0.000 0.814 314 A HN 0.491 nan 8.150 nan 0.000 0.446 315 T N 0.247 114.842 114.554 0.068 0.000 2.674 315 T HA -0.023 4.327 4.350 -0.000 0.000 0.265 315 T C 2.286 177.018 174.700 0.053 0.000 1.039 315 T CA 1.709 63.837 62.100 0.048 0.000 1.150 315 T CB -0.542 68.356 68.868 0.051 0.000 0.864 315 T HN 0.618 nan 8.240 nan 0.000 0.427 316 A N 1.405 124.265 122.820 0.066 0.000 1.908 316 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 316 A C 2.209 179.831 177.584 0.063 0.000 1.181 316 A CA 1.882 53.950 52.037 0.050 0.000 0.627 316 A CB -0.620 18.410 19.000 0.049 0.000 0.818 316 A HN 0.582 nan 8.150 nan 0.000 0.445 317 E N -0.530 119.726 120.200 0.095 0.000 2.031 317 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 317 E C 2.407 179.054 176.600 0.078 0.000 0.994 317 E CA 0.950 57.409 56.400 0.097 0.000 0.800 317 E CB -0.297 29.498 29.700 0.158 0.000 0.752 317 E HN 0.605 nan 8.360 nan 0.000 0.447 318 A N 0.780 123.645 122.820 0.075 0.000 1.908 318 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 318 A C 2.469 180.089 177.584 0.060 0.000 1.181 318 A CA 1.429 53.503 52.037 0.061 0.000 0.627 318 A CB -0.740 18.287 19.000 0.044 0.000 0.818 318 A HN 0.141 nan 8.150 nan 0.000 0.445 319 V N -0.178 119.769 119.914 0.055 0.000 2.307 319 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 319 V C 2.532 178.669 176.094 0.072 0.000 1.045 319 V CA 2.309 64.644 62.300 0.058 0.000 1.024 319 V CB -0.702 31.146 31.823 0.041 0.000 0.651 319 V HN 0.784 nan 8.190 nan 0.000 0.449 320 E N 0.000 120.238 120.200 0.062 0.000 2.058 320 E HA -0.301 4.049 4.350 -0.000 0.000 0.194 320 E C 2.308 178.946 176.600 0.064 0.000 0.997 320 E CA 1.840 58.279 56.400 0.064 0.000 0.801 320 E CB -0.137 29.588 29.700 0.042 0.000 0.746 320 E HN 0.679 nan 8.360 nan 0.000 0.450 321 E N -0.379 119.854 120.200 0.054 0.000 2.072 321 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 321 E C 1.967 178.603 176.600 0.059 0.000 0.985 321 E CA 0.779 57.206 56.400 0.045 0.000 0.801 321 E CB -0.113 29.611 29.700 0.040 0.000 0.750 321 E HN 0.343 nan 8.360 nan 0.000 0.452 322 A N 1.141 124.006 122.820 0.075 0.000 1.940 322 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 322 A C 2.107 179.757 177.584 0.110 0.000 1.176 322 A CA 1.247 53.340 52.037 0.093 0.000 0.631 322 A CB -0.585 18.476 19.000 0.100 0.000 0.814 322 A HN 0.292 nan 8.150 nan 0.000 0.446 323 I N -0.215 120.433 120.570 0.130 0.000 2.202 323 I HA -0.217 3.953 4.170 -0.000 0.000 0.242 323 I C 2.178 178.377 176.117 0.138 0.000 1.091 323 I CA 0.852 62.262 61.300 0.184 0.000 1.368 323 I CB -0.300 37.864 38.000 0.273 0.000 1.058 323 I HN 0.230 nan 8.210 nan 0.000 0.410 324 I N 1.062 121.683 120.570 0.086 0.000 2.163 324 I HA -0.284 3.886 4.170 -0.000 0.000 0.243 324 I C 2.196 178.321 176.117 0.014 0.000 1.085 324 I CA 1.601 62.916 61.300 0.024 0.000 1.347 324 I CB -1.668 36.324 38.000 -0.013 0.000 1.044 324 I HN 0.337 nan 8.210 nan 0.000 0.408 325 N N 1.039 119.756 118.700 0.028 0.000 2.205 325 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 325 N C 2.022 177.552 175.510 0.033 0.000 1.015 325 N CA 1.659 54.721 53.050 0.020 0.000 0.862 325 N CB -0.349 38.156 38.487 0.031 0.000 0.986 325 N HN 0.489 nan 8.380 nan 0.000 0.429 326 S N 0.348 116.086 115.700 0.063 0.000 2.423 326 S HA -0.001 4.469 4.470 -0.000 0.000 0.231 326 S C 2.015 176.644 174.600 0.048 0.000 1.014 326 S CA 0.517 58.760 58.200 0.072 0.000 0.965 326 S CB -0.385 62.878 63.200 0.104 0.000 0.785 326 S HN 0.238 nan 8.310 nan 0.000 0.495 327 L N 0.258 121.499 121.223 0.031 0.000 2.102 327 L HA 0.198 4.537 4.340 -0.000 0.000 0.202 327 L C 2.569 179.405 176.870 -0.056 0.000 1.076 327 L CA 0.665 55.502 54.840 -0.006 0.000 0.761 327 L CB -0.538 41.501 42.059 -0.033 0.000 0.921 327 L HN 0.262 nan 8.230 nan 0.000 0.444 328 L N -0.268 120.918 121.223 -0.062 0.000 2.191 328 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 328 L C 2.408 179.251 176.870 -0.045 0.000 1.103 328 L CA 0.995 55.791 54.840 -0.073 0.000 0.769 328 L CB -0.316 41.704 42.059 -0.065 0.000 0.908 328 L HN 0.309 nan 8.230 nan 0.000 0.438 329 E N 0.104 120.292 120.200 -0.020 0.000 2.400 329 E HA 0.136 4.486 4.350 -0.000 0.000 0.195 329 E C 0.806 177.405 176.600 -0.002 0.000 1.012 329 E CA 0.203 56.597 56.400 -0.010 0.000 0.875 329 E CB 0.253 29.954 29.700 0.002 0.000 0.859 329 E HN 0.332 nan 8.360 nan 0.000 0.498 330 A N 2.527 125.349 122.820 0.003 0.000 2.425 330 A HA 0.271 4.591 4.320 -0.000 0.000 0.249 330 A C 0.452 178.048 177.584 0.019 0.000 1.084 330 A CA -0.287 51.760 52.037 0.016 0.000 0.781 330 A CB 0.131 19.151 19.000 0.034 0.000 1.019 330 A HN 0.138 nan 8.150 nan 0.000 0.490 331 R N 1.662 122.176 120.500 0.023 0.000 2.532 331 R HA 0.561 4.901 4.340 -0.000 0.000 0.295 331 R C -0.544 175.781 176.300 0.042 0.000 0.968 331 R CA -0.432 55.687 56.100 0.032 0.000 0.916 331 R CB 0.485 30.797 30.300 0.021 0.000 1.124 331 R HN 0.478 nan 8.270 nan 0.000 0.463 332 T N 2.989 117.581 114.554 0.064 0.000 2.898 332 T HA 0.030 4.379 4.350 -0.000 0.000 0.331 332 T C 0.115 174.798 174.700 -0.029 0.000 1.085 332 T CA 0.567 62.685 62.100 0.029 0.000 1.129 332 T CB 0.124 69.022 68.868 0.050 0.000 1.054 332 T HN 0.652 nan 8.240 nan 0.000 0.540 333 M N 3.003 122.553 119.600 -0.083 0.000 2.365 333 M HA 0.286 4.766 4.480 -0.000 0.000 0.288 333 M C -1.859 174.390 176.300 -0.084 0.000 1.152 333 M CA -0.839 54.423 55.300 -0.063 0.000 0.948 333 M CB 1.881 34.471 32.600 -0.017 0.000 1.729 333 M HN 0.719 nan 8.290 nan 0.000 0.487 334 D N 2.497 122.854 120.400 -0.072 0.000 2.268 334 D HA 0.829 5.469 4.640 -0.000 0.000 0.249 334 D C -0.368 175.905 176.300 -0.045 0.000 1.008 334 D CA -0.255 53.707 54.000 -0.064 0.000 0.939 334 D CB 2.271 43.034 40.800 -0.062 0.000 1.170 334 D HN 0.761 nan 8.370 nan 0.000 0.468 335 G N -0.089 108.679 108.800 -0.053 0.000 2.846 335 G HA2 0.455 4.415 3.960 -0.000 0.000 0.299 335 G HA3 0.455 4.415 3.960 -0.000 0.000 0.299 335 G C -0.867 173.958 174.900 -0.125 0.000 1.242 335 G CA -0.989 44.069 45.100 -0.069 0.000 0.800 335 G HN 0.705 nan 8.290 nan 0.000 0.538 336 R N 0.105 120.514 120.500 -0.151 0.000 2.638 336 R HA 0.265 4.605 4.340 -0.000 0.000 0.268 336 R C -0.445 175.608 176.300 -0.412 0.000 1.006 336 R CA 0.858 56.828 56.100 -0.217 0.000 1.088 336 R CB -0.182 30.012 30.300 -0.176 0.000 0.950 336 R HN 0.423 nan 8.270 nan 0.000 0.419 337 D N 1.413 121.606 120.400 -0.346 0.000 2.811 337 D HA -0.216 4.424 4.640 -0.000 0.000 0.231 337 D C -0.556 175.551 176.300 -0.322 0.000 1.157 337 D CA 1.350 55.113 54.000 -0.395 0.000 0.716 337 D CB -1.085 39.337 40.800 -0.630 0.000 1.077 337 D HN 0.860 nan 8.370 nan 0.000 0.428 338 N N -1.147 117.439 118.700 -0.190 0.000 2.713 338 N HA -0.251 4.488 4.740 -0.000 0.000 0.251 338 N C -0.078 175.424 175.510 -0.012 0.000 1.117 338 N CA 1.165 54.165 53.050 -0.083 0.000 0.770 338 N CB -1.798 36.665 38.487 -0.040 0.000 1.137 338 N HN 0.683 nan 8.380 nan 0.000 0.566 339 H N -0.321 118.643 119.070 -0.176 0.000 2.897 339 H HA 0.315 4.871 4.556 -0.000 0.000 0.347 339 H C 0.715 175.968 175.328 -0.125 0.000 1.068 339 H CA 0.030 55.930 56.048 -0.248 0.000 1.426 339 H CB 0.883 30.225 29.762 -0.700 0.000 1.410 339 H HN 0.101 nan 8.280 nan 0.000 0.597 340 V N 1.343 121.321 119.914 0.107 0.000 2.888 340 V HA 0.580 4.700 4.120 -0.000 0.000 0.309 340 V C -0.784 175.344 176.094 0.057 0.000 1.114 340 V CA -1.179 61.120 62.300 -0.002 0.000 0.940 340 V CB 2.280 34.000 31.823 -0.173 0.000 1.021 340 V HN 0.651 nan 8.190 nan 0.000 0.426 341 R N 2.886 123.376 120.500 -0.017 0.000 2.476 341 R HA 0.557 4.896 4.340 -0.000 0.000 0.305 341 R C -1.633 174.681 176.300 0.022 0.000 0.965 341 R CA -0.421 55.738 56.100 0.098 0.000 0.867 341 R CB 1.723 32.110 30.300 0.144 0.000 1.176 341 R HN 0.899 nan 8.270 nan 0.000 0.447 342 Y N 0.403 120.879 120.300 0.293 0.000 2.310 342 Y HA 0.463 5.013 4.550 -0.000 0.000 0.326 342 Y C 1.026 177.124 175.900 0.330 0.000 1.151 342 Y CA -0.592 57.711 58.100 0.339 0.000 1.195 342 Y CB 1.212 39.972 38.460 0.501 0.000 1.210 342 Y HN 0.619 nan 8.280 nan 0.000 0.483 343 A N 2.954 125.971 122.820 0.328 0.000 2.462 343 A HA 0.263 4.583 4.320 -0.000 0.000 0.243 343 A C -0.404 177.138 177.584 -0.070 0.000 1.076 343 A CA -0.577 51.533 52.037 0.123 0.000 0.773 343 A CB -0.042 19.000 19.000 0.069 0.000 1.010 343 A HN 0.775 nan 8.150 nan 0.000 0.493 344 L N 4.972 125.977 121.223 -0.362 0.000 2.628 344 L HA 0.165 4.505 4.340 -0.000 0.000 0.274 344 L C -1.681 174.838 176.870 -0.585 0.000 1.209 344 L CA -0.905 53.431 54.840 -0.839 0.000 0.930 344 L CB 0.002 41.603 42.059 -0.763 0.000 1.183 344 L HN 0.492 nan 8.230 nan 0.000 0.492 345 P HA 0.006 nan 4.420 nan 0.000 0.263 345 P C -0.196 176.868 177.300 -0.393 0.000 1.247 345 P CA 0.048 62.804 63.100 -0.572 0.000 0.876 345 P CB 0.403 31.459 31.700 -1.072 0.000 0.928 346 K N 2.195 122.451 120.400 -0.240 0.000 2.097 346 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 346 K C 1.723 178.245 176.600 -0.131 0.000 1.049 346 K CA 1.199 57.381 56.287 -0.174 0.000 0.933 346 K CB 0.082 32.512 32.500 -0.117 0.000 0.717 346 K HN 0.388 nan 8.250 nan 0.000 0.442 347 E N 0.789 120.930 120.200 -0.099 0.000 2.152 347 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 347 E C 1.882 178.441 176.600 -0.068 0.000 0.983 347 E CA 0.977 57.341 56.400 -0.059 0.000 0.818 347 E CB 0.088 29.775 29.700 -0.021 0.000 0.758 347 E HN 0.255 nan 8.360 nan 0.000 0.467 348 E N 0.909 121.040 120.200 -0.115 0.000 2.072 348 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 348 E C 1.990 178.515 176.600 -0.126 0.000 0.985 348 E CA 0.390 56.721 56.400 -0.115 0.000 0.801 348 E CB -0.280 29.278 29.700 -0.237 0.000 0.750 348 E HN 0.122 nan 8.360 nan 0.000 0.452 349 L N 0.270 121.382 121.223 -0.185 0.000 2.079 349 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 349 L C 1.982 178.792 176.870 -0.099 0.000 1.081 349 L CA 1.660 56.400 54.840 -0.168 0.000 0.752 349 L CB -0.487 41.447 42.059 -0.209 0.000 0.896 349 L HN 0.256 nan 8.230 nan 0.000 0.433 350 L N -0.761 120.415 121.223 -0.079 0.000 2.093 350 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 350 L C 2.811 179.668 176.870 -0.021 0.000 1.085 350 L CA 1.519 56.331 54.840 -0.046 0.000 0.755 350 L CB -0.539 41.497 42.059 -0.039 0.000 0.904 350 L HN 0.359 nan 8.230 nan 0.000 0.435 351 R N 0.675 121.165 120.500 -0.017 0.000 2.073 351 R HA -0.188 4.151 4.340 -0.000 0.000 0.234 351 R C 2.281 178.602 176.300 0.035 0.000 1.134 351 R CA 1.660 57.765 56.100 0.008 0.000 0.952 351 R CB -0.245 30.062 30.300 0.011 0.000 0.850 351 R HN 0.180 nan 8.270 nan 0.000 0.433 352 I N 0.802 121.390 120.570 0.031 0.000 2.179 352 I HA -0.292 3.878 4.170 -0.000 0.000 0.242 352 I C 2.345 178.543 176.117 0.135 0.000 1.088 352 I CA 1.198 62.553 61.300 0.092 0.000 1.357 352 I CB -0.192 37.819 38.000 0.018 0.000 1.051 352 I HN 0.221 nan 8.210 nan 0.000 0.409 353 M N -0.309 119.314 119.600 0.038 0.000 2.149 353 M HA -0.203 4.277 4.480 -0.000 0.000 0.261 353 M C 2.413 178.765 176.300 0.086 0.000 1.064 353 M CA 1.687 57.009 55.300 0.037 0.000 1.102 353 M CB -1.317 31.274 32.600 -0.015 0.000 1.369 353 M HN 0.211 nan 8.290 nan 0.000 0.408 354 R N -0.544 119.992 120.500 0.060 0.000 2.075 354 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 354 R C 2.328 178.660 176.300 0.054 0.000 1.126 354 R CA 1.117 57.244 56.100 0.046 0.000 0.963 354 R CB -0.357 29.956 30.300 0.022 0.000 0.858 354 R HN 0.363 nan 8.270 nan 0.000 0.435 355 R N 0.040 120.587 120.500 0.077 0.000 2.159 355 R HA -0.160 4.179 4.340 -0.000 0.000 0.237 355 R C 0.507 176.751 176.300 -0.094 0.000 1.131 355 R CA 1.429 57.528 56.100 -0.001 0.000 0.982 355 R CB 0.033 30.339 30.300 0.010 0.000 0.868 355 R HN 0.239 nan 8.270 nan 0.000 0.453 356 Y N -0.162 120.130 120.300 -0.014 0.000 2.625 356 Y HA 0.300 4.850 4.550 0.000 0.000 0.285 356 Y C 0.958 176.850 175.900 -0.013 0.000 1.168 356 Y CA 0.116 58.208 58.100 -0.012 0.000 1.250 356 Y CB 0.723 39.175 38.460 -0.015 0.000 1.130 356 Y HN 0.270 nan 8.280 nan 0.000 0.526 357 G N 1.831 110.679 108.800 0.079 0.000 2.395 357 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.300 357 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.300 357 G C 0.118 175.048 174.900 0.050 0.000 0.998 357 G CA 0.021 45.148 45.100 0.045 0.000 1.046 357 G HN 0.467 nan 8.290 nan 0.000 0.513 358 R N -0.900 119.634 120.500 0.056 0.000 2.721 358 R HA 0.632 4.972 4.340 -0.000 0.000 0.272 358 R C -0.695 175.613 176.300 0.014 0.000 1.721 358 R CA -0.684 55.435 56.100 0.031 0.000 1.325 358 R CB 1.246 31.564 30.300 0.031 0.000 1.271 358 R HN 0.312 nan 8.270 nan 0.000 0.556 359 L N 0.000 121.227 121.223 0.006 0.000 2.949 359 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 359 L CA 0.000 54.839 54.840 -0.002 0.000 0.813 359 L CB 0.000 42.058 42.059 -0.001 0.000 0.961 359 L HN 0.000 nan 8.230 nan 0.000 0.502