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 2x5o_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADYQGKNVVI IGLGLTGLSC VDFFLARGVT PRVMDTRMTP PGLDKLPEAV DATA SEQUENCE ERHTGSLNDE WLMAADLIVA SPGIALAHPS LSAAADAGIE IVGDIELFCR DATA SEQUENCE EAQAPIVAIT GSNGKSTVTT LVGEMAKAAG VNVGVGGNIG LPALMLLDDE DATA SEQUENCE CELYVLELSS FQLETTSSLQ AVAATILNVT EDHMDRYPFG LQQYRAAXLR DATA SEQUENCE IYENAKVCVV NADDALTMPI RGADERCVSF GVNMGDYHLN HQQGETWLRV DATA SEQUENCE KGEKVLNVKE MKLSGQHNYT NALAALALAD AAGLPRASSL KALTTFTGLP DATA SEQUENCE HRFEVVLEHN GVRWINDSKA TNVGSTEAAL NGLHVDGTLH LLLGGDGKSA DATA SEQUENCE DFSPLARYLN GDNVRLYCFG RDGAQLAALR PEVAEQTETM EQAMRLLAPR DATA SEQUENCE VQPGDMVLLS PACASLDQFK NFEQRGNEFA RLAKELGSH 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.323 177.584 -0.436 0.000 1.274 1 A CA 0.000 51.872 52.037 -0.275 0.000 0.836 1 A CB 0.000 18.800 19.000 -0.334 0.000 0.831 2 D N 0.240 120.351 120.400 -0.482 0.000 2.425 2 D HA 0.577 5.200 4.640 -0.030 0.000 0.240 2 D C -0.660 175.402 176.300 -0.398 0.000 1.080 2 D CA 0.008 53.793 54.000 -0.358 0.000 0.836 2 D CB 0.812 41.514 40.800 -0.163 0.000 1.125 2 D HN 0.385 nan 8.370 nan 0.000 0.525 3 Y N 1.180 121.540 120.300 0.100 0.000 2.458 3 Y HA 0.169 4.701 4.550 -0.030 0.000 0.256 3 Y C 1.418 177.370 175.900 0.086 0.000 1.159 3 Y CA -0.286 57.903 58.100 0.148 0.000 1.261 3 Y CB -0.066 38.596 38.460 0.336 0.000 1.119 3 Y HN 0.345 nan 8.280 nan 0.000 0.524 4 Q N 0.635 120.512 119.800 0.128 0.000 2.283 4 Q HA 0.217 4.539 4.340 -0.030 0.000 0.301 4 Q C 1.271 177.307 176.000 0.059 0.000 1.063 4 Q CA 1.372 57.223 55.803 0.081 0.000 0.952 4 Q CB 0.185 28.944 28.738 0.035 0.000 1.166 4 Q HN 0.717 nan 8.270 nan 0.000 0.381 5 G N 3.050 111.877 108.800 0.045 0.000 2.205 5 G HA2 -0.222 3.720 3.960 -0.030 0.000 0.261 5 G HA3 -0.222 3.720 3.960 -0.030 0.000 0.261 5 G C -0.207 174.703 174.900 0.016 0.000 0.980 5 G CA 0.104 45.216 45.100 0.021 0.000 0.632 5 G HN 0.513 nan 8.290 nan 0.000 0.533 6 K N 0.770 121.195 120.400 0.041 0.000 2.185 6 K HA 0.259 4.561 4.320 -0.030 0.000 0.271 6 K C -0.029 176.547 176.600 -0.040 0.000 1.013 6 K CA -0.761 55.541 56.287 0.024 0.000 0.943 6 K CB 0.671 33.225 32.500 0.090 0.000 0.998 6 K HN 0.209 nan 8.250 nan 0.000 0.468 7 N N 2.341 121.005 118.700 -0.061 0.000 2.415 7 N HA 0.083 4.805 4.740 -0.030 0.000 0.246 7 N C -1.295 174.127 175.510 -0.146 0.000 1.078 7 N CA -0.131 52.852 53.050 -0.111 0.000 0.942 7 N CB 0.396 38.827 38.487 -0.094 0.000 1.140 7 N HN 0.119 nan 8.380 nan 0.000 0.501 8 V N 3.691 123.467 119.914 -0.231 0.000 2.459 8 V HA 0.425 4.527 4.120 -0.030 0.000 0.295 8 V C 0.061 175.995 176.094 -0.266 0.000 1.029 8 V CA -0.801 61.297 62.300 -0.336 0.000 0.874 8 V CB 1.854 33.249 31.823 -0.712 0.000 0.985 8 V HN 0.261 nan 8.190 nan 0.000 0.438 9 V N 6.251 126.058 119.914 -0.178 0.000 2.487 9 V HA 0.518 4.620 4.120 -0.030 0.000 0.298 9 V C -0.299 175.758 176.094 -0.061 0.000 1.028 9 V CA -0.438 61.814 62.300 -0.080 0.000 0.860 9 V CB 1.937 33.763 31.823 0.005 0.000 0.991 9 V HN 0.690 nan 8.190 nan 0.000 0.427 10 I N 5.853 126.412 120.570 -0.019 0.000 2.339 10 I HA 0.457 4.610 4.170 -0.030 0.000 0.290 10 I C -0.435 175.705 176.117 0.037 0.000 0.994 10 I CA -0.245 61.064 61.300 0.015 0.000 1.191 10 I CB 1.416 39.444 38.000 0.045 0.000 1.343 10 I HN 0.417 nan 8.210 nan 0.000 0.458 11 I N 6.070 126.650 120.570 0.018 0.000 2.312 11 I HA 0.590 4.743 4.170 -0.030 0.000 0.290 11 I C 0.453 176.571 176.117 0.003 0.000 1.008 11 I CA -0.323 60.980 61.300 0.005 0.000 1.226 11 I CB 1.220 39.202 38.000 -0.031 0.000 1.371 11 I HN 0.812 nan 8.210 nan 0.000 0.468 12 G N 4.831 113.638 108.800 0.010 0.000 3.367 12 G HA2 -0.043 3.899 3.960 -0.030 0.000 0.686 12 G HA3 -0.043 3.899 3.960 -0.030 0.000 0.686 12 G C -1.056 173.855 174.900 0.020 0.000 1.146 12 G CA -0.802 44.301 45.100 0.006 0.000 0.913 12 G HN 0.451 nan 8.290 nan 0.000 0.554 13 L N 3.099 124.334 121.223 0.020 0.000 2.600 13 L HA 0.950 5.273 4.340 -0.030 0.000 0.179 13 L C 2.063 178.945 176.870 0.021 0.000 1.609 13 L CA 2.129 56.985 54.840 0.027 0.000 3.107 13 L CB -0.562 41.514 42.059 0.029 0.000 2.940 13 L HN 2.752 nan 8.230 nan 0.000 0.916 14 G N -0.726 108.085 108.800 0.019 0.000 2.740 14 G HA2 -0.290 3.652 3.960 -0.030 0.000 0.250 14 G HA3 -0.290 3.652 3.960 -0.030 0.000 0.250 14 G C 0.661 175.572 174.900 0.019 0.000 1.358 14 G CA 0.227 45.336 45.100 0.016 0.000 0.897 14 G HN 0.699 nan 8.290 nan 0.000 0.567 15 L N -0.432 120.801 121.223 0.017 0.000 2.046 15 L HA -0.093 4.229 4.340 -0.030 0.000 0.208 15 L C 3.286 180.168 176.870 0.019 0.000 1.077 15 L CA 2.298 57.149 54.840 0.019 0.000 0.747 15 L CB -0.835 41.234 42.059 0.016 0.000 0.896 15 L HN 0.752 nan 8.230 nan 0.000 0.432 16 T N -0.593 113.969 114.554 0.013 0.000 2.857 16 T HA -0.063 4.269 4.350 -0.030 0.000 0.266 16 T C 1.832 176.541 174.700 0.015 0.000 1.048 16 T CA 1.138 63.242 62.100 0.006 0.000 1.139 16 T CB -0.358 68.509 68.868 -0.002 0.000 0.874 16 T HN 0.534 nan 8.240 nan 0.000 0.455 17 G N 1.367 110.181 108.800 0.023 0.000 2.422 17 G HA2 -0.110 3.832 3.960 -0.030 0.000 0.218 17 G HA3 -0.110 3.832 3.960 -0.030 0.000 0.218 17 G C 1.477 176.410 174.900 0.056 0.000 1.146 17 G CA 0.379 45.502 45.100 0.038 0.000 0.769 17 G HN 0.427 nan 8.290 nan 0.000 0.547 18 L N 1.486 122.738 121.223 0.048 0.000 2.083 18 L HA -0.109 4.214 4.340 -0.030 0.000 0.209 18 L C 3.315 180.226 176.870 0.067 0.000 1.083 18 L CA 1.447 56.322 54.840 0.057 0.000 0.752 18 L CB -0.351 41.735 42.059 0.045 0.000 0.899 18 L HN 0.446 nan 8.230 nan 0.000 0.433 19 S N -1.239 114.493 115.700 0.052 0.000 2.382 19 S HA -0.197 4.256 4.470 -0.030 0.000 0.228 19 S C 2.086 176.731 174.600 0.074 0.000 1.027 19 S CA 1.178 59.411 58.200 0.056 0.000 0.991 19 S CB -0.921 62.296 63.200 0.028 0.000 0.823 19 S HN 0.449 nan 8.310 nan 0.000 0.469 20 C N 1.144 120.484 119.300 0.065 0.000 2.446 20 C HA 0.074 4.516 4.460 -0.030 0.000 0.277 20 C C 2.790 177.945 174.990 0.275 0.000 1.275 20 C CA 0.543 59.626 59.018 0.109 0.000 1.727 20 C CB -1.437 26.378 27.740 0.124 0.000 2.010 20 C HN 0.532 nan 8.230 nan 0.000 0.486 21 V N 1.529 121.571 119.914 0.213 0.000 2.287 21 V HA -0.242 3.861 4.120 -0.030 0.000 0.248 21 V C 2.112 178.327 176.094 0.202 0.000 1.053 21 V CA 2.375 64.805 62.300 0.216 0.000 1.027 21 V CB -0.705 31.194 31.823 0.128 0.000 0.646 21 V HN 0.482 nan 8.190 nan 0.000 0.447 22 D N -0.781 119.708 120.400 0.148 0.000 2.144 22 D HA -0.157 4.465 4.640 -0.030 0.000 0.200 22 D C 1.847 178.210 176.300 0.104 0.000 0.978 22 D CA 1.158 55.223 54.000 0.109 0.000 0.833 22 D CB -0.320 40.532 40.800 0.086 0.000 0.961 22 D HN 0.491 nan 8.370 nan 0.000 0.470 23 F N 0.389 120.295 119.950 -0.074 0.000 2.102 23 F HA -0.206 4.304 4.527 -0.029 0.000 0.298 23 F C 1.894 177.532 175.800 -0.270 0.000 1.105 23 F CA 1.332 59.204 58.000 -0.212 0.000 1.239 23 F CB -0.237 38.544 39.000 -0.364 0.000 0.991 23 F HN -0.173 nan 8.300 nan 0.000 0.474 24 F N 0.401 120.420 119.950 0.116 0.000 2.163 24 F HA -0.085 4.424 4.527 -0.030 0.000 0.297 24 F C 2.196 177.962 175.800 -0.056 0.000 1.094 24 F CA 1.141 59.129 58.000 -0.020 0.000 1.290 24 F CB -0.984 38.039 39.000 0.039 0.000 1.017 24 F HN -0.086 nan 8.300 nan 0.000 0.483 25 L N -0.382 120.927 121.223 0.145 0.000 2.079 25 L HA -0.230 4.092 4.340 -0.030 0.000 0.210 25 L C 2.603 179.477 176.870 0.007 0.000 1.081 25 L CA 1.227 56.108 54.840 0.069 0.000 0.752 25 L CB -0.999 41.097 42.059 0.062 0.000 0.896 25 L HN 0.147 nan 8.230 nan 0.000 0.433 26 A N -0.232 122.561 122.820 -0.044 0.000 2.121 26 A HA -0.119 4.183 4.320 -0.030 0.000 0.218 26 A C 2.134 179.653 177.584 -0.108 0.000 1.154 26 A CA 1.029 53.019 52.037 -0.077 0.000 0.679 26 A CB -0.335 18.606 19.000 -0.099 0.000 0.795 26 A HN 0.357 nan 8.150 nan 0.000 0.458 27 R N -1.375 119.044 120.500 -0.134 0.000 2.427 27 R HA 0.278 4.600 4.340 -0.030 0.000 0.262 27 R C 0.936 177.230 176.300 -0.010 0.000 0.943 27 R CA 0.480 56.515 56.100 -0.107 0.000 1.081 27 R CB 0.151 30.338 30.300 -0.189 0.000 1.166 27 R HN 0.568 nan 8.270 nan 0.000 0.534 28 G N 0.771 109.573 108.800 0.004 0.000 2.160 28 G HA2 -0.231 3.711 3.960 -0.030 0.000 0.244 28 G HA3 -0.231 3.711 3.960 -0.030 0.000 0.244 28 G C -0.213 174.716 174.900 0.048 0.000 1.022 28 G CA 0.047 45.160 45.100 0.021 0.000 0.741 28 G HN 0.156 nan 8.290 nan 0.000 0.508 29 V N 0.641 120.607 119.914 0.086 0.000 2.483 29 V HA 0.569 4.671 4.120 -0.030 0.000 0.297 29 V C 0.375 176.514 176.094 0.074 0.000 1.027 29 V CA -0.335 62.024 62.300 0.098 0.000 0.855 29 V CB 1.985 33.934 31.823 0.210 0.000 0.995 29 V HN 0.296 nan 8.190 nan 0.000 0.424 30 T N 7.843 122.402 114.554 0.009 0.000 2.747 30 T HA 0.380 4.712 4.350 -0.030 0.000 0.301 30 T C -2.111 172.543 174.700 -0.077 0.000 0.952 30 T CA -0.725 61.367 62.100 -0.014 0.000 0.983 30 T CB 1.018 69.868 68.868 -0.030 0.000 0.930 30 T HN 0.530 nan 8.240 nan 0.000 0.494 31 P HA 0.435 nan 4.420 nan 0.000 0.278 31 P C -0.451 176.769 177.300 -0.134 0.000 1.266 31 P CA -0.893 62.102 63.100 -0.176 0.000 0.807 31 P CB 1.353 32.939 31.700 -0.191 0.000 1.094 32 R N -0.329 120.071 120.500 -0.165 0.000 2.732 32 R HA 0.645 4.967 4.340 -0.030 0.000 0.278 32 R C -0.848 175.480 176.300 0.046 0.000 0.976 32 R CA -1.084 54.937 56.100 -0.132 0.000 0.963 32 R CB 1.802 31.840 30.300 -0.437 0.000 1.150 32 R HN 0.241 nan 8.270 nan 0.000 0.478 33 V N 4.073 124.096 119.914 0.182 0.000 2.555 33 V HA 0.503 4.606 4.120 -0.030 0.000 0.302 33 V C -0.033 176.231 176.094 0.284 0.000 1.038 33 V CA -0.714 61.697 62.300 0.185 0.000 0.887 33 V CB 1.696 33.596 31.823 0.129 0.000 0.991 33 V HN 0.757 nan 8.190 nan 0.000 0.434 34 M N 2.211 121.925 119.600 0.189 0.000 2.619 34 M HA 0.818 5.281 4.480 -0.030 0.000 0.297 34 M C -1.738 174.602 176.300 0.066 0.000 1.229 34 M CA -0.518 54.865 55.300 0.138 0.000 0.860 34 M CB 2.884 35.537 32.600 0.088 0.000 1.741 34 M HN 0.539 nan 8.290 nan 0.000 0.462 35 D N 0.866 121.296 120.400 0.049 0.000 2.977 35 D HA 0.171 4.794 4.640 -0.030 0.000 0.220 35 D C 0.279 176.583 176.300 0.007 0.000 1.267 35 D CA 0.029 54.038 54.000 0.015 0.000 0.884 35 D CB 2.590 43.398 40.800 0.013 0.000 1.667 35 D HN 0.908 nan 8.370 nan 0.000 0.536 36 T N 0.692 115.244 114.554 -0.004 0.000 3.007 36 T HA 0.035 4.367 4.350 -0.030 0.000 0.270 36 T C 0.928 175.624 174.700 -0.007 0.000 1.107 36 T CA 0.491 62.592 62.100 0.003 0.000 1.118 36 T CB 0.072 68.951 68.868 0.017 0.000 0.889 36 T HN 0.226 nan 8.240 nan 0.000 0.506 37 R N 0.342 120.835 120.500 -0.011 0.000 2.539 37 R HA 0.381 4.703 4.340 -0.030 0.000 0.275 37 R C 1.565 177.847 176.300 -0.029 0.000 1.077 37 R CA -0.349 55.741 56.100 -0.016 0.000 1.097 37 R CB 0.571 30.864 30.300 -0.011 0.000 1.018 37 R HN 0.146 nan 8.270 nan 0.000 0.483 38 M N 1.236 120.816 119.600 -0.033 0.000 2.132 38 M HA -0.091 4.371 4.480 -0.030 0.000 0.263 38 M C 0.445 176.721 176.300 -0.040 0.000 1.065 38 M CA 1.752 57.023 55.300 -0.047 0.000 1.122 38 M CB 0.257 32.831 32.600 -0.043 0.000 1.365 38 M HN 0.698 nan 8.290 nan 0.000 0.411 39 T N -0.043 114.496 114.554 -0.026 0.000 3.327 39 T HA 0.494 4.826 4.350 -0.030 0.000 0.373 39 T C -2.572 172.122 174.700 -0.010 0.000 1.589 39 T CA -1.631 60.458 62.100 -0.018 0.000 1.497 39 T CB 0.479 69.337 68.868 -0.015 0.000 1.032 39 T HN 0.160 nan 8.240 nan 0.000 0.640 40 P HA 0.332 nan 4.420 nan 0.000 0.272 40 P C -2.743 174.559 177.300 0.003 0.000 1.223 40 P CA -1.437 61.662 63.100 -0.001 0.000 0.784 40 P CB -0.279 31.423 31.700 0.003 0.000 0.923 41 P HA 0.086 nan 4.420 nan 0.000 0.265 41 P C 1.022 178.328 177.300 0.011 0.000 1.193 41 P CA 1.292 64.397 63.100 0.007 0.000 0.765 41 P CB -0.127 31.578 31.700 0.007 0.000 0.823 42 G N 2.013 110.820 108.800 0.012 0.000 2.176 42 G HA2 -0.314 3.628 3.960 -0.030 0.000 0.253 42 G HA3 -0.314 3.628 3.960 -0.030 0.000 0.253 42 G C 0.705 175.616 174.900 0.019 0.000 0.979 42 G CA 0.239 45.349 45.100 0.017 0.000 0.641 42 G HN 0.559 nan 8.290 nan 0.000 0.530 43 L N 1.181 122.414 121.223 0.016 0.000 2.042 43 L HA 0.078 4.400 4.340 -0.030 0.000 0.210 43 L C 2.103 178.985 176.870 0.018 0.000 1.076 43 L CA 2.946 57.797 54.840 0.018 0.000 0.749 43 L CB -0.316 41.749 42.059 0.011 0.000 0.893 43 L HN 0.214 nan 8.230 nan 0.000 0.432 44 D N -0.686 119.723 120.400 0.014 0.000 2.350 44 D HA -0.100 4.522 4.640 -0.030 0.000 0.216 44 D C 1.713 178.023 176.300 0.017 0.000 0.968 44 D CA 0.615 54.624 54.000 0.014 0.000 0.894 44 D CB 0.017 40.823 40.800 0.010 0.000 0.909 44 D HN 0.318 nan 8.370 nan 0.000 0.520 45 K N -0.008 120.404 120.400 0.020 0.000 2.361 45 K HA 0.099 4.401 4.320 -0.030 0.000 0.194 45 K C 0.564 177.182 176.600 0.029 0.000 1.032 45 K CA -0.350 55.951 56.287 0.023 0.000 1.048 45 K CB 0.245 32.759 32.500 0.024 0.000 0.842 45 K HN 0.134 nan 8.250 nan 0.000 0.526 46 L N 3.758 125.000 121.223 0.031 0.000 2.433 46 L HA 0.162 4.484 4.340 -0.030 0.000 0.275 46 L C -2.382 174.509 176.870 0.035 0.000 1.128 46 L CA -1.720 53.143 54.840 0.038 0.000 0.875 46 L CB 0.201 42.287 42.059 0.044 0.000 1.171 46 L HN -0.095 nan 8.230 nan 0.000 0.463 47 P HA -0.024 nan 4.420 nan 0.000 0.265 47 P C 0.391 177.709 177.300 0.030 0.000 1.187 47 P CA 0.017 63.135 63.100 0.029 0.000 0.766 47 P CB 0.510 32.227 31.700 0.029 0.000 0.820 48 E N 2.429 122.644 120.200 0.025 0.000 2.209 48 E HA -0.254 4.079 4.350 -0.030 0.000 0.196 48 E C 1.661 178.275 176.600 0.025 0.000 0.993 48 E CA 1.199 57.614 56.400 0.026 0.000 0.819 48 E CB -0.267 29.446 29.700 0.021 0.000 0.745 48 E HN 0.533 nan 8.360 nan 0.000 0.477 49 A N 0.452 123.284 122.820 0.020 0.000 2.070 49 A HA -0.052 4.251 4.320 -0.030 0.000 0.220 49 A C 1.077 178.667 177.584 0.011 0.000 1.159 49 A CA 0.652 52.697 52.037 0.013 0.000 0.656 49 A CB 0.048 19.055 19.000 0.011 0.000 0.800 49 A HN 0.103 nan 8.150 nan 0.000 0.453 50 V N 1.778 121.705 119.914 0.022 0.000 2.385 50 V HA 0.127 4.229 4.120 -0.030 0.000 0.269 50 V C 0.052 176.170 176.094 0.039 0.000 1.043 50 V CA -0.652 61.661 62.300 0.021 0.000 0.906 50 V CB 0.824 32.669 31.823 0.036 0.000 0.995 50 V HN 0.480 nan 8.190 nan 0.000 0.467 51 E N 5.530 125.739 120.200 0.015 0.000 2.392 51 E HA 0.311 4.643 4.350 -0.030 0.000 0.264 51 E C 0.044 176.774 176.600 0.216 0.000 1.024 51 E CA -0.207 56.243 56.400 0.082 0.000 0.903 51 E CB 0.665 30.334 29.700 -0.051 0.000 0.963 51 E HN 0.602 nan 8.360 nan 0.000 0.432 52 R N 2.203 122.908 120.500 0.341 0.000 2.774 52 R HA 0.450 4.772 4.340 -0.030 0.000 0.272 52 R C -1.802 174.681 176.300 0.305 0.000 1.000 52 R CA -0.909 55.411 56.100 0.366 0.000 0.906 52 R CB 1.066 31.471 30.300 0.174 0.000 1.227 52 R HN 0.714 nan 8.270 nan 0.000 0.468 53 H N 0.362 119.451 119.070 0.031 0.000 2.840 53 H HA 0.505 5.043 4.556 -0.030 0.000 0.340 53 H C -1.269 173.975 175.328 -0.140 0.000 1.004 53 H CA -0.055 55.852 56.048 -0.234 0.000 1.288 53 H CB 1.568 30.871 29.762 -0.764 0.000 1.607 53 H HN 0.987 nan 8.280 nan 0.000 0.522 54 T N 1.403 115.715 114.554 -0.403 0.000 2.930 54 T HA 0.559 4.891 4.350 -0.030 0.000 0.290 54 T C 0.980 175.525 174.700 -0.259 0.000 1.052 54 T CA -0.322 61.656 62.100 -0.204 0.000 1.017 54 T CB 1.639 70.439 68.868 -0.112 0.000 1.137 54 T HN 1.153 nan 8.240 nan 0.000 0.511 55 G N 0.483 109.213 108.800 -0.116 0.000 2.195 55 G HA2 0.005 3.947 3.960 -0.030 0.000 0.246 55 G HA3 0.005 3.947 3.960 -0.030 0.000 0.246 55 G C 0.213 175.093 174.900 -0.034 0.000 0.984 55 G CA 0.544 45.593 45.100 -0.085 0.000 0.633 55 G HN 2.236 nan 8.290 nan 0.000 0.525 56 S N -1.450 114.259 115.700 0.014 0.000 2.627 56 S HA 0.651 5.104 4.470 -0.030 0.000 0.268 56 S C -0.732 173.930 174.600 0.104 0.000 1.130 56 S CA -0.896 57.350 58.200 0.078 0.000 0.819 56 S CB 1.344 64.605 63.200 0.102 0.000 1.100 56 S HN 0.870 nan 8.310 nan 0.000 0.465 57 L N 1.975 123.198 121.223 -0.000 0.000 2.395 57 L HA 0.502 4.824 4.340 -0.030 0.000 0.269 57 L C 0.182 176.889 176.870 -0.272 0.000 1.133 57 L CA -0.746 54.016 54.840 -0.130 0.000 0.812 57 L CB 0.552 42.491 42.059 -0.201 0.000 1.125 57 L HN 0.753 nan 8.230 nan 0.000 0.452 58 N N 1.703 120.082 118.700 -0.535 0.000 2.546 58 N HA 0.073 4.796 4.740 -0.030 0.000 0.238 58 N C 0.120 175.436 175.510 -0.324 0.000 0.984 58 N CA -0.277 52.327 53.050 -0.744 0.000 0.935 58 N CB 1.067 38.608 38.487 -1.577 0.000 1.122 58 N HN 0.495 nan 8.380 nan 0.000 0.510 59 D N 2.401 122.687 120.400 -0.191 0.000 2.264 59 D HA -0.104 4.518 4.640 -0.030 0.000 0.208 59 D C 0.878 177.167 176.300 -0.018 0.000 0.966 59 D CA 0.967 54.924 54.000 -0.071 0.000 0.864 59 D CB 0.562 41.339 40.800 -0.039 0.000 0.933 59 D HN 0.697 nan 8.370 nan 0.000 0.499 60 E N -0.165 120.020 120.200 -0.024 0.000 2.072 60 E HA -0.154 4.178 4.350 -0.030 0.000 0.191 60 E C 1.891 178.629 176.600 0.229 0.000 0.985 60 E CA 0.691 57.144 56.400 0.088 0.000 0.801 60 E CB -0.033 29.730 29.700 0.104 0.000 0.750 60 E HN 0.340 nan 8.360 nan 0.000 0.452 61 W N 0.746 121.986 121.300 -0.100 0.000 2.418 61 W HA 0.023 4.665 4.660 -0.030 0.000 0.292 61 W C 1.990 178.461 176.519 -0.079 0.000 1.213 61 W CA 0.350 57.642 57.345 -0.089 0.000 1.283 61 W CB -0.856 28.537 29.460 -0.111 0.000 1.119 61 W HN 0.061 nan 8.180 nan 0.000 0.542 62 L N -0.440 120.871 121.223 0.147 0.000 2.072 62 L HA -0.192 4.130 4.340 -0.030 0.000 0.205 62 L C 2.346 179.241 176.870 0.042 0.000 1.079 62 L CA 0.859 55.736 54.840 0.062 0.000 0.752 62 L CB -0.687 41.379 42.059 0.011 0.000 0.906 62 L HN -0.138 nan 8.230 nan 0.000 0.436 63 M N -0.766 118.860 119.600 0.043 0.000 2.476 63 M HA -0.029 4.433 4.480 -0.030 0.000 0.262 63 M C 2.197 178.512 176.300 0.026 0.000 1.079 63 M CA 1.023 56.340 55.300 0.030 0.000 1.104 63 M CB -1.057 31.559 32.600 0.026 0.000 1.409 63 M HN 0.226 nan 8.290 nan 0.000 0.467 64 A N 0.134 122.974 122.820 0.034 0.000 2.178 64 A HA 0.446 4.749 4.320 -0.030 0.000 0.211 64 A C 1.272 178.848 177.584 -0.013 0.000 1.157 64 A CA 0.425 52.468 52.037 0.010 0.000 0.780 64 A CB -0.377 18.625 19.000 0.004 0.000 0.828 64 A HN 0.361 nan 8.150 nan 0.000 0.476 65 A N 0.105 122.921 122.820 -0.007 0.000 2.407 65 A HA 0.403 4.705 4.320 -0.030 0.000 0.248 65 A C 0.456 178.029 177.584 -0.018 0.000 1.082 65 A CA -0.015 52.005 52.037 -0.028 0.000 0.785 65 A CB 0.280 19.267 19.000 -0.023 0.000 1.020 65 A HN 0.303 nan 8.150 nan 0.000 0.489 66 D N -0.367 120.019 120.400 -0.024 0.000 2.271 66 D HA 0.123 4.745 4.640 -0.030 0.000 0.206 66 D C -0.159 176.150 176.300 0.014 0.000 0.967 66 D CA 1.010 55.010 54.000 0.000 0.000 0.867 66 D CB 0.200 41.005 40.800 0.008 0.000 0.960 66 D HN 0.295 nan 8.370 nan 0.000 0.509 67 L N 0.541 121.757 121.223 -0.012 0.000 2.493 67 L HA 0.415 4.738 4.340 -0.030 0.000 0.265 67 L C -1.767 175.078 176.870 -0.042 0.000 0.954 67 L CA -0.533 54.306 54.840 -0.000 0.000 0.844 67 L CB 2.350 44.421 42.059 0.020 0.000 1.302 67 L HN -0.246 nan 8.230 nan 0.000 0.405 68 I N 5.044 125.606 120.570 -0.013 0.000 2.433 68 I HA 0.511 4.663 4.170 -0.030 0.000 0.292 68 I C -0.834 175.281 176.117 -0.004 0.000 1.001 68 I CA -0.954 60.334 61.300 -0.020 0.000 1.119 68 I CB 2.065 40.062 38.000 -0.005 0.000 1.289 68 I HN 0.250 nan 8.210 nan 0.000 0.438 69 V N 5.902 125.811 119.914 -0.009 0.000 2.313 69 V HA 0.536 4.638 4.120 -0.030 0.000 0.278 69 V C 0.338 176.440 176.094 0.012 0.000 1.017 69 V CA -0.550 61.761 62.300 0.020 0.000 0.823 69 V CB 1.208 33.068 31.823 0.060 0.000 1.010 69 V HN 0.803 nan 8.190 nan 0.000 0.443 70 A N 3.761 126.587 122.820 0.011 0.000 2.260 70 A HA 0.650 4.952 4.320 -0.030 0.000 0.308 70 A C 0.475 178.061 177.584 0.003 0.000 1.254 70 A CA -0.225 51.813 52.037 0.001 0.000 0.874 70 A CB 0.954 19.954 19.000 0.001 0.000 1.153 70 A HN 0.799 nan 8.150 nan 0.000 0.527 71 S N 3.301 118.997 115.700 -0.007 0.000 2.558 71 S HA 0.156 4.609 4.470 -0.030 0.000 0.287 71 S C -0.864 173.727 174.600 -0.016 0.000 1.321 71 S CA -0.477 57.717 58.200 -0.011 0.000 1.048 71 S CB 0.409 63.596 63.200 -0.021 0.000 0.844 71 S HN 0.590 nan 8.310 nan 0.000 0.512 72 P HA 0.038 nan 4.420 nan 0.000 0.228 72 P C 1.107 178.315 177.300 -0.154 0.000 1.151 72 P CA 0.992 64.094 63.100 0.003 0.000 0.770 72 P CB -0.396 31.355 31.700 0.086 0.000 0.786 73 G N -0.581 108.138 108.800 -0.135 0.000 2.920 73 G HA2 0.071 4.013 3.960 -0.030 0.000 0.208 73 G HA3 0.071 4.013 3.960 -0.030 0.000 0.208 73 G C 0.437 175.229 174.900 -0.180 0.000 1.159 73 G CA -0.032 44.950 45.100 -0.196 0.000 0.784 73 G HN 0.304 nan 8.290 nan 0.000 0.535 74 I N 1.135 121.626 120.570 -0.131 0.000 2.377 74 I HA 0.663 4.816 4.170 -0.030 0.000 0.293 74 I C 0.370 176.441 176.117 -0.076 0.000 0.987 74 I CA -0.984 60.265 61.300 -0.086 0.000 1.185 74 I CB 1.665 39.627 38.000 -0.065 0.000 1.341 74 I HN 0.024 nan 8.210 nan 0.000 0.455 75 A N 6.564 129.360 122.820 -0.040 0.000 2.524 75 A HA 0.123 4.426 4.320 -0.030 0.000 0.250 75 A C 0.803 178.414 177.584 0.045 0.000 1.078 75 A CA -0.169 51.858 52.037 -0.016 0.000 0.761 75 A CB 0.166 19.163 19.000 -0.004 0.000 1.012 75 A HN 0.895 nan 8.150 nan 0.000 0.500 76 L N 3.104 124.354 121.223 0.044 0.000 2.265 76 L HA -0.052 4.271 4.340 -0.030 0.000 0.215 76 L C 2.305 179.220 176.870 0.076 0.000 1.117 76 L CA 2.443 57.319 54.840 0.060 0.000 0.782 76 L CB -0.472 41.629 42.059 0.071 0.000 0.914 76 L HN 0.757 nan 8.230 nan 0.000 0.441 77 A N -2.348 120.519 122.820 0.078 0.000 2.278 77 A HA -0.021 4.281 4.320 -0.030 0.000 0.212 77 A C 0.752 178.391 177.584 0.091 0.000 1.213 77 A CA -0.286 51.798 52.037 0.080 0.000 0.840 77 A CB -1.024 18.022 19.000 0.076 0.000 0.866 77 A HN 0.464 nan 8.150 nan 0.000 0.489 78 H N 1.099 120.169 119.070 0.001 0.000 3.034 78 H HA 0.062 4.600 4.556 -0.030 0.000 0.324 78 H C -1.803 173.525 175.328 0.001 0.000 1.015 78 H CA -1.204 54.841 56.048 -0.006 0.000 1.429 78 H CB 1.078 30.831 29.762 -0.015 0.000 1.429 78 H HN 0.049 nan 8.280 nan 0.000 0.585 79 P HA -0.120 nan 4.420 nan 0.000 0.218 79 P C 1.563 178.977 177.300 0.190 0.000 1.148 79 P CA 1.305 64.456 63.100 0.086 0.000 0.822 79 P CB 0.280 31.967 31.700 -0.022 0.000 0.784 80 S N -0.753 115.183 115.700 0.395 0.000 2.382 80 S HA -0.087 4.366 4.470 -0.030 0.000 0.228 80 S C 1.789 176.432 174.600 0.072 0.000 1.027 80 S CA 1.023 59.319 58.200 0.160 0.000 0.991 80 S CB -0.958 62.270 63.200 0.046 0.000 0.823 80 S HN 0.147 nan 8.310 nan 0.000 0.469 81 L N 1.435 122.706 121.223 0.081 0.000 2.179 81 L HA -0.056 4.266 4.340 -0.030 0.000 0.208 81 L C 2.669 179.571 176.870 0.054 0.000 1.096 81 L CA 1.209 56.073 54.840 0.040 0.000 0.779 81 L CB -0.618 41.459 42.059 0.030 0.000 0.922 81 L HN 0.415 nan 8.230 nan 0.000 0.443 82 S N 0.104 115.849 115.700 0.074 0.000 2.383 82 S HA -0.120 4.332 4.470 -0.030 0.000 0.227 82 S C 2.180 176.806 174.600 0.044 0.000 1.026 82 S CA 0.743 58.977 58.200 0.056 0.000 0.981 82 S CB -0.391 62.843 63.200 0.057 0.000 0.818 82 S HN 0.330 nan 8.310 nan 0.000 0.472 83 A N 2.262 125.111 122.820 0.047 0.000 1.908 83 A HA 0.227 4.529 4.320 -0.030 0.000 0.218 83 A C 2.531 180.132 177.584 0.029 0.000 1.181 83 A CA 1.870 53.928 52.037 0.036 0.000 0.627 83 A CB -1.461 17.561 19.000 0.036 0.000 0.818 83 A HN 0.848 nan 8.150 nan 0.000 0.445 84 A N -0.331 122.506 122.820 0.028 0.000 1.930 84 A HA 0.233 4.535 4.320 -0.030 0.000 0.217 84 A C 2.491 180.089 177.584 0.023 0.000 1.175 84 A CA 1.877 53.927 52.037 0.022 0.000 0.627 84 A CB -0.946 18.064 19.000 0.017 0.000 0.815 84 A HN 1.022 nan 8.150 nan 0.000 0.443 85 A N 0.219 123.055 122.820 0.027 0.000 1.902 85 A HA -0.190 4.112 4.320 -0.030 0.000 0.217 85 A C 1.742 179.340 177.584 0.024 0.000 1.181 85 A CA 1.916 53.969 52.037 0.027 0.000 0.623 85 A CB -0.628 18.390 19.000 0.031 0.000 0.818 85 A HN 0.429 nan 8.150 nan 0.000 0.443 86 D N 0.042 120.456 120.400 0.025 0.000 2.178 86 D HA -0.037 4.586 4.640 -0.030 0.000 0.201 86 D C 1.870 178.182 176.300 0.019 0.000 0.980 86 D CA 1.430 55.443 54.000 0.021 0.000 0.842 86 D CB -0.279 40.534 40.800 0.022 0.000 0.948 86 D HN 0.446 nan 8.370 nan 0.000 0.472 87 A N -0.610 122.222 122.820 0.019 0.000 2.238 87 A HA 0.423 4.726 4.320 -0.030 0.000 0.208 87 A C 1.728 179.322 177.584 0.017 0.000 1.177 87 A CA 1.010 53.057 52.037 0.017 0.000 0.804 87 A CB -0.164 18.846 19.000 0.017 0.000 0.823 87 A HN 0.243 nan 8.150 nan 0.000 0.482 88 G N -0.888 107.923 108.800 0.019 0.000 2.157 88 G HA2 -0.209 3.733 3.960 -0.030 0.000 0.248 88 G HA3 -0.209 3.733 3.960 -0.030 0.000 0.248 88 G C 0.080 174.993 174.900 0.021 0.000 0.979 88 G CA 0.132 45.243 45.100 0.019 0.000 0.650 88 G HN 0.454 nan 8.290 nan 0.000 0.529 89 I N 1.435 122.018 120.570 0.021 0.000 2.416 89 I HA 0.206 4.359 4.170 -0.030 0.000 0.288 89 I C 0.987 177.121 176.117 0.027 0.000 1.051 89 I CA -0.315 60.998 61.300 0.022 0.000 1.375 89 I CB 1.047 39.057 38.000 0.018 0.000 1.407 89 I HN 0.235 nan 8.210 nan 0.000 0.516 90 E N 6.991 127.212 120.200 0.034 0.000 2.415 90 E HA 0.203 4.535 4.350 -0.030 0.000 0.263 90 E C -0.951 175.674 176.600 0.042 0.000 0.995 90 E CA -0.039 56.388 56.400 0.045 0.000 0.915 90 E CB 0.645 30.383 29.700 0.063 0.000 0.951 90 E HN 0.429 nan 8.360 nan 0.000 0.449 91 I N 5.868 126.463 120.570 0.042 0.000 2.418 91 I HA 0.270 4.422 4.170 -0.030 0.000 0.287 91 I C -0.229 175.915 176.117 0.045 0.000 1.008 91 I CA -0.787 60.535 61.300 0.037 0.000 1.104 91 I CB 1.523 39.542 38.000 0.031 0.000 1.264 91 I HN 0.339 nan 8.210 nan 0.000 0.438 92 V N 2.575 122.517 119.914 0.046 0.000 3.158 92 V HA 1.030 5.132 4.120 -0.030 0.000 0.311 92 V C -0.121 175.992 176.094 0.033 0.000 1.181 92 V CA -0.472 61.856 62.300 0.048 0.000 1.054 92 V CB 1.565 33.428 31.823 0.067 0.000 1.085 92 V HN 0.714 nan 8.190 nan 0.000 0.446 93 G N -0.264 108.550 108.800 0.024 0.000 3.013 93 G HA2 0.474 4.417 3.960 -0.030 0.000 0.278 93 G HA3 0.474 4.417 3.960 -0.030 0.000 0.278 93 G C 0.211 175.095 174.900 -0.027 0.000 1.353 93 G CA 0.282 45.386 45.100 0.007 0.000 1.043 93 G HN 0.976 nan 8.290 nan 0.000 0.523 94 D N -0.635 119.737 120.400 -0.047 0.000 2.149 94 D HA -0.173 4.449 4.640 -0.030 0.000 0.198 94 D C 2.092 178.342 176.300 -0.085 0.000 0.990 94 D CA 0.870 54.808 54.000 -0.103 0.000 0.839 94 D CB -0.042 40.702 40.800 -0.093 0.000 0.948 94 D HN 0.156 nan 8.370 nan 0.000 0.460 95 I N 1.199 121.742 120.570 -0.045 0.000 2.286 95 I HA -0.189 3.963 4.170 -0.030 0.000 0.248 95 I C 2.519 178.665 176.117 0.049 0.000 1.115 95 I CA 1.034 62.328 61.300 -0.010 0.000 1.392 95 I CB -1.296 36.688 38.000 -0.027 0.000 1.065 95 I HN 0.091 nan 8.210 nan 0.000 0.418 96 E N 1.650 121.861 120.200 0.019 0.000 2.051 96 E HA -0.179 4.154 4.350 -0.030 0.000 0.192 96 E C 2.298 178.903 176.600 0.010 0.000 0.991 96 E CA 1.319 57.737 56.400 0.030 0.000 0.799 96 E CB -0.417 29.305 29.700 0.035 0.000 0.748 96 E HN 0.454 nan 8.360 nan 0.000 0.449 97 L N -0.289 120.889 121.223 -0.076 0.000 2.042 97 L HA -0.155 4.167 4.340 -0.030 0.000 0.210 97 L C 2.439 179.195 176.870 -0.190 0.000 1.076 97 L CA 1.520 56.228 54.840 -0.221 0.000 0.749 97 L CB -0.589 41.074 42.059 -0.660 0.000 0.893 97 L HN 0.208 nan 8.230 nan 0.000 0.432 98 F N 0.077 119.863 119.950 -0.273 0.000 2.134 98 F HA -0.240 4.269 4.527 -0.030 0.000 0.299 98 F C 2.524 178.240 175.800 -0.140 0.000 1.097 98 F CA 1.513 59.383 58.000 -0.217 0.000 1.264 98 F CB -0.388 38.474 39.000 -0.231 0.000 1.001 98 F HN 0.036 nan 8.300 nan 0.000 0.479 99 C N 0.809 120.113 119.300 0.006 0.000 2.440 99 C HA -0.109 4.333 4.460 -0.030 0.000 0.278 99 C C 2.702 177.627 174.990 -0.108 0.000 1.295 99 C CA 0.948 59.940 59.018 -0.043 0.000 1.738 99 C CB -1.336 26.444 27.740 0.067 0.000 1.987 99 C HN 0.433 nan 8.230 nan 0.000 0.492 100 R N 0.621 121.089 120.500 -0.054 0.000 2.189 100 R HA -0.080 4.243 4.340 -0.030 0.000 0.223 100 R C 1.791 178.067 176.300 -0.041 0.000 1.092 100 R CA 0.959 57.053 56.100 -0.011 0.000 0.989 100 R CB -0.085 30.259 30.300 0.075 0.000 0.876 100 R HN 0.588 nan 8.270 nan 0.000 0.457 101 E N 0.021 120.150 120.200 -0.119 0.000 2.372 101 E HA 0.155 4.488 4.350 -0.030 0.000 0.201 101 E C 0.370 176.838 176.600 -0.220 0.000 0.938 101 E CA 0.152 56.485 56.400 -0.113 0.000 0.944 101 E CB 0.176 29.862 29.700 -0.023 0.000 0.937 101 E HN 0.176 nan 8.360 nan 0.000 0.495 102 A N 2.027 124.577 122.820 -0.449 0.000 2.565 102 A HA -0.003 4.299 4.320 -0.030 0.000 0.237 102 A C 0.754 178.275 177.584 -0.105 0.000 1.053 102 A CA 0.402 52.164 52.037 -0.458 0.000 0.755 102 A CB 0.233 18.803 19.000 -0.716 0.000 0.980 102 A HN -0.040 nan 8.150 nan 0.000 0.506 103 Q N -0.120 119.708 119.800 0.047 0.000 2.157 103 Q HA 0.428 4.750 4.340 -0.030 0.000 0.229 103 Q C -0.129 175.934 176.000 0.105 0.000 0.827 103 Q CA 0.645 56.486 55.803 0.064 0.000 1.055 103 Q CB 0.648 29.412 28.738 0.043 0.000 1.157 103 Q HN 0.864 nan 8.270 nan 0.000 0.482 104 A N 1.003 123.942 122.820 0.198 0.000 2.527 104 A HA 0.792 5.095 4.320 -0.030 0.000 0.293 104 A C -2.710 174.995 177.584 0.201 0.000 1.117 104 A CA -1.536 50.582 52.037 0.136 0.000 0.723 104 A CB 1.087 20.073 19.000 -0.022 0.000 1.313 104 A HN -0.099 nan 8.150 nan 0.000 0.411 105 P HA 0.401 nan 4.420 nan 0.000 0.269 105 P C -0.996 176.430 177.300 0.210 0.000 1.215 105 P CA 0.291 63.471 63.100 0.134 0.000 0.780 105 P CB 0.353 32.098 31.700 0.076 0.000 0.898 106 I N 1.581 122.268 120.570 0.195 0.000 2.406 106 I HA 0.240 4.392 4.170 -0.030 0.000 0.290 106 I C -0.432 175.762 176.117 0.129 0.000 0.999 106 I CA -0.975 60.458 61.300 0.220 0.000 1.124 106 I CB 1.856 39.994 38.000 0.230 0.000 1.289 106 I HN -0.048 nan 8.210 nan 0.000 0.441 107 V N 5.658 125.635 119.914 0.106 0.000 2.407 107 V HA 0.653 4.755 4.120 -0.030 0.000 0.278 107 V C 0.306 176.425 176.094 0.042 0.000 1.037 107 V CA -0.358 61.976 62.300 0.057 0.000 0.900 107 V CB 1.366 33.207 31.823 0.030 0.000 0.983 107 V HN 0.824 nan 8.190 nan 0.000 0.459 108 A N 6.710 129.545 122.820 0.025 0.000 2.330 108 A HA 0.899 5.201 4.320 -0.030 0.000 0.313 108 A C -0.922 176.648 177.584 -0.024 0.000 1.124 108 A CA -0.450 51.587 52.037 -0.001 0.000 0.774 108 A CB 0.776 19.776 19.000 0.000 0.000 1.198 108 A HN 0.748 nan 8.150 nan 0.000 0.465 109 I N 1.590 122.138 120.570 -0.037 0.000 2.466 109 I HA 0.552 4.704 4.170 -0.030 0.000 0.289 109 I C 0.212 176.297 176.117 -0.053 0.000 1.026 109 I CA -0.127 61.147 61.300 -0.043 0.000 1.078 109 I CB 2.554 40.530 38.000 -0.039 0.000 1.249 109 I HN 0.656 nan 8.210 nan 0.000 0.429 110 T N 3.263 117.774 114.554 -0.072 0.000 2.831 110 T HA 0.957 5.290 4.350 -0.030 0.000 0.287 110 T C -0.730 173.938 174.700 -0.054 0.000 1.070 110 T CA -0.282 61.774 62.100 -0.073 0.000 1.010 110 T CB 1.983 70.776 68.868 -0.125 0.000 1.264 110 T HN 1.022 nan 8.240 nan 0.000 0.532 111 G N 0.268 109.039 108.800 -0.049 0.000 2.345 111 G HA2 0.253 4.195 3.960 -0.030 0.000 0.310 111 G HA3 0.253 4.195 3.960 -0.030 0.000 0.310 111 G C 0.409 175.328 174.900 0.031 0.000 1.476 111 G CA 0.250 45.338 45.100 -0.021 0.000 0.978 111 G HN 0.625 nan 8.290 nan 0.000 0.656 112 S N -0.404 115.330 115.700 0.056 0.000 2.428 112 S HA 0.078 4.531 4.470 -0.030 0.000 0.230 112 S C 0.845 175.490 174.600 0.075 0.000 1.014 112 S CA 1.465 59.740 58.200 0.125 0.000 0.957 112 S CB -0.091 63.196 63.200 0.145 0.000 0.784 112 S HN 0.738 nan 8.310 nan 0.000 0.499 113 N N -1.854 116.878 118.700 0.053 0.000 2.396 113 N HA 0.509 5.231 4.740 -0.030 0.000 0.275 113 N C 0.231 175.770 175.510 0.048 0.000 1.218 113 N CA 0.505 53.576 53.050 0.035 0.000 0.812 113 N CB 1.532 40.030 38.487 0.019 0.000 1.592 113 N HN 0.102 nan 8.380 nan 0.000 0.480 114 G N 1.349 110.177 108.800 0.048 0.000 2.217 114 G HA2 -0.323 3.620 3.960 -0.030 0.000 0.246 114 G HA3 -0.323 3.620 3.960 -0.030 0.000 0.246 114 G C 0.917 175.830 174.900 0.022 0.000 0.990 114 G CA 0.925 46.055 45.100 0.050 0.000 0.627 114 G HN 0.735 nan 8.290 nan 0.000 0.522 115 K N 0.476 120.889 120.400 0.022 0.000 2.155 115 K HA 0.195 4.497 4.320 -0.030 0.000 0.203 115 K C 2.232 178.838 176.600 0.010 0.000 1.052 115 K CA 1.778 58.070 56.287 0.008 0.000 0.948 115 K CB -0.284 32.224 32.500 0.013 0.000 0.728 115 K HN 0.266 nan 8.250 nan 0.000 0.448 116 S N 0.967 116.688 115.700 0.035 0.000 2.395 116 S HA -0.060 4.392 4.470 -0.030 0.000 0.225 116 S C 1.874 176.507 174.600 0.054 0.000 1.027 116 S CA 1.436 59.671 58.200 0.058 0.000 0.965 116 S CB -0.248 63.012 63.200 0.100 0.000 0.812 116 S HN 0.425 nan 8.310 nan 0.000 0.482 117 T N 2.337 116.927 114.554 0.060 0.000 2.708 117 T HA -0.065 4.267 4.350 -0.030 0.000 0.266 117 T C 1.950 176.585 174.700 -0.108 0.000 1.037 117 T CA 1.351 63.482 62.100 0.051 0.000 1.146 117 T CB -0.433 68.493 68.868 0.097 0.000 0.865 117 T HN 0.184 nan 8.240 nan 0.000 0.435 118 V N 1.487 121.342 119.914 -0.097 0.000 2.427 118 V HA -0.162 3.941 4.120 -0.030 0.000 0.248 118 V C 2.757 178.764 176.094 -0.146 0.000 1.051 118 V CA 1.854 64.062 62.300 -0.154 0.000 1.048 118 V CB -1.124 30.613 31.823 -0.144 0.000 0.666 118 V HN 0.535 nan 8.190 nan 0.000 0.456 119 T N -0.314 114.186 114.554 -0.090 0.000 2.708 119 T HA -0.190 4.142 4.350 -0.030 0.000 0.266 119 T C 1.989 176.636 174.700 -0.089 0.000 1.037 119 T CA 2.170 64.230 62.100 -0.067 0.000 1.146 119 T CB -0.363 68.490 68.868 -0.025 0.000 0.865 119 T HN 0.533 nan 8.240 nan 0.000 0.435 120 T N 2.299 116.793 114.554 -0.099 0.000 2.777 120 T HA 0.100 4.433 4.350 -0.030 0.000 0.266 120 T C 2.006 176.534 174.700 -0.288 0.000 1.040 120 T CA 0.685 62.722 62.100 -0.106 0.000 1.141 120 T CB -0.401 68.481 68.868 0.024 0.000 0.868 120 T HN 0.204 nan 8.240 nan 0.000 0.444 121 L N 0.742 121.657 121.223 -0.513 0.000 2.012 121 L HA -0.109 4.213 4.340 -0.030 0.000 0.210 121 L C 2.652 179.350 176.870 -0.286 0.000 1.073 121 L CA 1.137 55.623 54.840 -0.589 0.000 0.748 121 L CB -0.602 41.113 42.059 -0.574 0.000 0.891 121 L HN 0.157 nan 8.230 nan 0.000 0.431 122 V N -0.045 119.748 119.914 -0.201 0.000 2.407 122 V HA -0.211 3.891 4.120 -0.030 0.000 0.248 122 V C 2.603 178.644 176.094 -0.089 0.000 1.055 122 V CA 1.867 64.092 62.300 -0.125 0.000 1.049 122 V CB -1.254 30.510 31.823 -0.099 0.000 0.662 122 V HN 0.596 nan 8.190 nan 0.000 0.455 123 G N -0.141 108.610 108.800 -0.082 0.000 2.446 123 G HA2 -0.238 3.705 3.960 -0.030 0.000 0.217 123 G HA3 -0.238 3.705 3.960 -0.030 0.000 0.217 123 G C 1.454 176.332 174.900 -0.037 0.000 1.168 123 G CA 0.771 45.845 45.100 -0.043 0.000 0.771 123 G HN 0.491 nan 8.290 nan 0.000 0.551 124 E N 0.320 120.486 120.200 -0.056 0.000 2.110 124 E HA -0.070 4.263 4.350 -0.030 0.000 0.193 124 E C 2.612 179.197 176.600 -0.026 0.000 0.988 124 E CA 0.714 57.100 56.400 -0.024 0.000 0.804 124 E CB -0.387 29.308 29.700 -0.008 0.000 0.745 124 E HN 0.514 nan 8.360 nan 0.000 0.458 125 M N 0.370 119.938 119.600 -0.054 0.000 2.086 125 M HA -0.135 4.327 4.480 -0.030 0.000 0.261 125 M C 2.441 178.726 176.300 -0.024 0.000 1.067 125 M CA 1.661 56.938 55.300 -0.038 0.000 1.116 125 M CB -0.395 32.173 32.600 -0.054 0.000 1.348 125 M HN 0.073 nan 8.290 nan 0.000 0.407 126 A N 0.810 123.613 122.820 -0.029 0.000 1.883 126 A HA -0.214 4.089 4.320 -0.030 0.000 0.217 126 A C 2.104 179.678 177.584 -0.015 0.000 1.186 126 A CA 2.023 54.047 52.037 -0.022 0.000 0.624 126 A CB -0.635 18.348 19.000 -0.028 0.000 0.822 126 A HN 0.440 nan 8.150 nan 0.000 0.444 127 K N -0.323 120.070 120.400 -0.011 0.000 2.063 127 K HA -0.102 4.201 4.320 -0.030 0.000 0.208 127 K C 2.194 178.795 176.600 0.002 0.000 1.048 127 K CA 1.229 57.514 56.287 -0.002 0.000 0.928 127 K CB -0.359 32.146 32.500 0.008 0.000 0.713 127 K HN 0.462 nan 8.250 nan 0.000 0.442 128 A N 1.152 123.974 122.820 0.003 0.000 2.019 128 A HA -0.065 4.237 4.320 -0.030 0.000 0.219 128 A C 2.179 179.765 177.584 0.003 0.000 1.164 128 A CA 1.680 53.721 52.037 0.006 0.000 0.644 128 A CB -0.472 18.532 19.000 0.008 0.000 0.805 128 A HN 0.331 nan 8.150 nan 0.000 0.449 129 A N -1.770 121.049 122.820 -0.001 0.000 2.238 129 A HA 0.412 4.714 4.320 -0.030 0.000 0.208 129 A C 1.765 179.347 177.584 -0.003 0.000 1.177 129 A CA 1.141 53.177 52.037 -0.002 0.000 0.804 129 A CB -0.901 18.097 19.000 -0.004 0.000 0.823 129 A HN 1.842 nan 8.150 nan 0.000 0.482 130 G N -1.256 107.542 108.800 -0.004 0.000 2.143 130 G HA2 -0.197 3.745 3.960 -0.030 0.000 0.248 130 G HA3 -0.197 3.745 3.960 -0.030 0.000 0.248 130 G C 0.147 175.041 174.900 -0.011 0.000 0.991 130 G CA 0.209 45.306 45.100 -0.005 0.000 0.689 130 G HN 0.745 nan 8.290 nan 0.000 0.522 131 V N 1.204 121.109 119.914 -0.015 0.000 2.530 131 V HA 0.304 4.406 4.120 -0.030 0.000 0.282 131 V C 0.876 176.949 176.094 -0.034 0.000 1.048 131 V CA -0.789 61.496 62.300 -0.026 0.000 0.997 131 V CB 1.639 33.445 31.823 -0.029 0.000 0.987 131 V HN 0.430 nan 8.190 nan 0.000 0.477 132 N N 4.234 122.907 118.700 -0.045 0.000 2.399 132 N HA 0.112 4.834 4.740 -0.030 0.000 0.259 132 N C -0.901 174.554 175.510 -0.092 0.000 1.160 132 N CA 0.282 53.299 53.050 -0.054 0.000 0.946 132 N CB 1.231 39.687 38.487 -0.052 0.000 1.156 132 N HN 0.486 nan 8.380 nan 0.000 0.489 133 V N 2.685 122.555 119.914 -0.073 0.000 2.604 133 V HA 0.768 4.870 4.120 -0.030 0.000 0.305 133 V C 0.107 176.166 176.094 -0.058 0.000 1.043 133 V CA -0.637 61.608 62.300 -0.092 0.000 0.888 133 V CB 1.580 33.373 31.823 -0.050 0.000 0.995 133 V HN 0.640 nan 8.190 nan 0.000 0.429 134 G N 5.372 114.131 108.800 -0.069 0.000 2.384 134 G HA2 0.587 4.529 3.960 -0.030 0.000 0.316 134 G HA3 0.587 4.529 3.960 -0.030 0.000 0.316 134 G C -1.189 173.791 174.900 0.134 0.000 1.160 134 G CA -0.346 44.809 45.100 0.091 0.000 0.936 134 G HN 0.815 nan 8.290 nan 0.000 0.455 135 V N 2.184 122.147 119.914 0.082 0.000 2.448 135 V HA 0.962 5.065 4.120 -0.030 0.000 0.295 135 V C 0.720 176.834 176.094 0.033 0.000 1.025 135 V CA 0.564 62.895 62.300 0.052 0.000 0.859 135 V CB 0.874 32.717 31.823 0.032 0.000 0.988 135 V HN 1.226 nan 8.190 nan 0.000 0.431 136 G N 2.251 111.051 108.800 -0.000 0.000 2.552 136 G HA2 0.669 4.612 3.960 -0.030 0.000 0.137 136 G HA3 0.669 4.612 3.960 -0.030 0.000 0.137 136 G C 0.166 175.024 174.900 -0.071 0.000 1.135 136 G CA 0.476 45.561 45.100 -0.025 0.000 1.047 136 G HN 1.687 nan 8.290 nan 0.000 0.501 137 G N 0.320 109.053 108.800 -0.112 0.000 3.050 137 G HA2 -0.163 3.780 3.960 -0.030 0.000 0.234 137 G HA3 -0.163 3.780 3.960 -0.030 0.000 0.234 137 G C 0.949 175.813 174.900 -0.061 0.000 1.521 137 G CA 1.026 46.044 45.100 -0.137 0.000 1.090 137 G HN 1.548 nan 8.290 nan 0.000 0.556 138 N N 1.398 120.084 118.700 -0.024 0.000 2.459 138 N HA 0.159 4.881 4.740 -0.030 0.000 0.181 138 N C 1.228 176.771 175.510 0.054 0.000 1.046 138 N CA 1.385 54.450 53.050 0.024 0.000 0.904 138 N CB -0.236 38.278 38.487 0.045 0.000 0.964 138 N HN 0.843 nan 8.380 nan 0.000 0.444 139 I N -4.789 115.808 120.570 0.046 0.000 3.023 139 I HA 0.710 4.862 4.170 -0.030 0.000 0.312 139 I C 1.208 177.350 176.117 0.042 0.000 1.056 139 I CA -0.792 60.548 61.300 0.067 0.000 1.033 139 I CB 1.477 39.534 38.000 0.095 0.000 1.233 139 I HN 0.072 nan 8.210 nan 0.000 0.462 140 G N 2.582 111.413 108.800 0.052 0.000 2.596 140 G HA2 -0.238 3.705 3.960 -0.030 0.000 0.295 140 G HA3 -0.238 3.705 3.960 -0.030 0.000 0.295 140 G C -0.441 174.473 174.900 0.023 0.000 1.240 140 G CA 0.091 45.214 45.100 0.039 0.000 0.985 140 G HN 0.707 nan 8.290 nan 0.000 0.555 141 L N 3.148 124.382 121.223 0.018 0.000 2.410 141 L HA 0.407 4.729 4.340 -0.030 0.000 0.273 141 L C -1.623 175.235 176.870 -0.020 0.000 1.144 141 L CA -0.813 54.033 54.840 0.010 0.000 0.863 141 L CB 0.216 42.290 42.059 0.025 0.000 1.140 141 L HN 0.302 nan 8.230 nan 0.000 0.463 142 P HA -0.155 nan 4.420 nan 0.000 0.265 142 P C 0.324 177.565 177.300 -0.098 0.000 1.167 142 P CA 0.542 63.611 63.100 -0.053 0.000 0.760 142 P CB 0.562 32.246 31.700 -0.026 0.000 0.783 143 A N 3.857 126.553 122.820 -0.207 0.000 1.940 143 A HA -0.197 4.106 4.320 -0.030 0.000 0.219 143 A C 1.981 179.448 177.584 -0.195 0.000 1.176 143 A CA 1.627 53.402 52.037 -0.436 0.000 0.631 143 A CB -1.349 17.153 19.000 -0.829 0.000 0.814 143 A HN 0.588 nan 8.150 nan 0.000 0.446 144 L N -1.026 120.178 121.223 -0.032 0.000 2.265 144 L HA -0.157 4.165 4.340 -0.030 0.000 0.215 144 L C 2.328 179.278 176.870 0.135 0.000 1.117 144 L CA 0.666 55.574 54.840 0.113 0.000 0.782 144 L CB -0.421 41.635 42.059 -0.005 0.000 0.914 144 L HN 0.352 nan 8.230 nan 0.000 0.441 145 M N -0.744 118.902 119.600 0.076 0.000 2.562 145 M HA -0.029 4.433 4.480 -0.030 0.000 0.257 145 M C 1.983 178.355 176.300 0.121 0.000 1.099 145 M CA 1.180 56.533 55.300 0.088 0.000 1.099 145 M CB -0.437 32.196 32.600 0.055 0.000 1.427 145 M HN 0.291 nan 8.290 nan 0.000 0.489 146 L N -0.741 120.573 121.223 0.151 0.000 2.375 146 L HA 0.043 4.365 4.340 -0.030 0.000 0.215 146 L C 0.785 177.902 176.870 0.410 0.000 1.108 146 L CA -0.332 54.664 54.840 0.259 0.000 0.830 146 L CB -0.290 41.934 42.059 0.274 0.000 0.959 146 L HN 0.116 nan 8.230 nan 0.000 0.457 147 L N 1.861 123.303 121.223 0.365 0.000 2.615 147 L HA 0.051 4.373 4.340 -0.030 0.000 0.271 147 L C -0.453 176.567 176.870 0.251 0.000 1.183 147 L CA 0.909 55.934 54.840 0.308 0.000 0.933 147 L CB -0.343 41.819 42.059 0.173 0.000 1.199 147 L HN 0.058 nan 8.230 nan 0.000 0.487 148 D N 2.634 123.205 120.400 0.285 0.000 2.861 148 D HA 0.147 4.769 4.640 -0.030 0.000 0.216 148 D C 0.304 176.683 176.300 0.131 0.000 1.323 148 D CA -0.421 53.679 54.000 0.167 0.000 0.917 148 D CB 1.130 42.017 40.800 0.145 0.000 1.582 148 D HN 0.459 nan 8.370 nan 0.000 0.576 149 D N 1.974 122.422 120.400 0.080 0.000 2.228 149 D HA -0.146 4.476 4.640 -0.030 0.000 0.203 149 D C 1.059 177.377 176.300 0.030 0.000 0.988 149 D CA 1.083 55.113 54.000 0.051 0.000 0.864 149 D CB 0.403 41.222 40.800 0.032 0.000 0.928 149 D HN 0.623 nan 8.370 nan 0.000 0.469 150 E N -0.706 119.508 120.200 0.023 0.000 2.442 150 E HA 0.021 4.353 4.350 -0.030 0.000 0.195 150 E C 0.349 176.929 176.600 -0.033 0.000 1.030 150 E CA -0.182 56.217 56.400 -0.000 0.000 0.869 150 E CB 0.328 30.030 29.700 0.005 0.000 0.857 150 E HN 0.151 nan 8.360 nan 0.000 0.505 151 C N 1.827 121.094 119.300 -0.055 0.000 2.634 151 C HA 0.013 4.455 4.460 -0.030 0.000 0.418 151 C C 1.544 176.406 174.990 -0.214 0.000 1.373 151 C CA 0.152 59.055 59.018 -0.193 0.000 1.756 151 C CB -0.187 27.313 27.740 -0.400 0.000 2.589 151 C HN 0.432 nan 8.230 nan 0.000 0.602 152 E N 0.840 120.919 120.200 -0.202 0.000 2.431 152 E HA 0.233 4.565 4.350 -0.030 0.000 0.200 152 E C -0.366 176.141 176.600 -0.155 0.000 0.995 152 E CA 0.153 56.471 56.400 -0.136 0.000 0.915 152 E CB 0.417 30.070 29.700 -0.079 0.000 0.930 152 E HN 0.491 nan 8.360 nan 0.000 0.496 153 L N -0.018 121.048 121.223 -0.260 0.000 2.592 153 L HA 0.330 4.652 4.340 -0.030 0.000 0.258 153 L C -2.091 174.609 176.870 -0.284 0.000 0.926 153 L CA -0.725 54.012 54.840 -0.171 0.000 0.885 153 L CB 1.117 43.131 42.059 -0.075 0.000 1.380 153 L HN -0.184 nan 8.230 nan 0.000 0.415 154 Y N 3.586 123.940 120.300 0.089 0.000 2.360 154 Y HA 0.745 5.277 4.550 -0.030 0.000 0.337 154 Y C -0.242 175.686 175.900 0.047 0.000 1.039 154 Y CA -0.787 57.373 58.100 0.100 0.000 1.109 154 Y CB 2.204 40.798 38.460 0.224 0.000 1.201 154 Y HN 0.310 nan 8.280 nan 0.000 0.458 155 V N 5.450 125.461 119.914 0.161 0.000 2.376 155 V HA 0.399 4.501 4.120 -0.030 0.000 0.287 155 V C -0.596 175.518 176.094 0.033 0.000 1.015 155 V CA -0.834 61.508 62.300 0.070 0.000 0.834 155 V CB 1.187 33.022 31.823 0.020 0.000 1.001 155 V HN 0.576 nan 8.190 nan 0.000 0.428 156 L N 3.947 125.172 121.223 0.004 0.000 2.333 156 L HA 0.570 4.893 4.340 -0.030 0.000 0.280 156 L C 0.210 177.055 176.870 -0.042 0.000 1.004 156 L CA -0.426 54.381 54.840 -0.055 0.000 0.820 156 L CB 2.170 44.161 42.059 -0.113 0.000 1.247 156 L HN 0.668 nan 8.230 nan 0.000 0.416 157 E N 4.481 124.658 120.200 -0.037 0.000 2.259 157 E HA 0.441 4.773 4.350 -0.030 0.000 0.281 157 E C -1.407 175.176 176.600 -0.029 0.000 1.037 157 E CA -0.394 55.993 56.400 -0.022 0.000 0.854 157 E CB 0.869 30.572 29.700 0.005 0.000 1.051 157 E HN 0.471 nan 8.360 nan 0.000 0.409 158 L N 3.720 124.926 121.223 -0.029 0.000 2.365 158 L HA 0.357 4.679 4.340 -0.030 0.000 0.273 158 L C 0.080 176.941 176.870 -0.015 0.000 1.000 158 L CA -0.931 53.892 54.840 -0.029 0.000 0.819 158 L CB 1.984 44.013 42.059 -0.049 0.000 1.284 158 L HN 0.601 nan 8.230 nan 0.000 0.418 159 S N -0.295 115.413 115.700 0.013 0.000 2.672 159 S HA 0.215 4.668 4.470 -0.030 0.000 0.276 159 S C 1.172 175.733 174.600 -0.064 0.000 1.207 159 S CA -0.089 58.119 58.200 0.014 0.000 1.002 159 S CB 1.655 64.924 63.200 0.115 0.000 0.998 159 S HN 0.742 nan 8.310 nan 0.000 0.542 160 S N 0.883 116.476 115.700 -0.179 0.000 2.387 160 S HA -0.179 4.274 4.470 -0.030 0.000 0.230 160 S C 1.404 175.897 174.600 -0.179 0.000 1.035 160 S CA 1.252 59.303 58.200 -0.248 0.000 1.014 160 S CB -1.151 61.868 63.200 -0.302 0.000 0.836 160 S HN 0.676 nan 8.310 nan 0.000 0.466 161 F N 2.115 122.119 119.950 0.091 0.000 2.146 161 F HA 0.065 4.576 4.527 -0.028 0.000 0.298 161 F C 2.955 178.770 175.800 0.026 0.000 1.096 161 F CA 1.028 59.059 58.000 0.051 0.000 1.275 161 F CB -1.027 37.960 39.000 -0.022 0.000 1.008 161 F HN 0.220 nan 8.300 nan 0.000 0.480 162 Q N 0.176 120.076 119.800 0.167 0.000 2.124 162 Q HA -0.149 4.174 4.340 -0.030 0.000 0.202 162 Q C 2.286 178.314 176.000 0.048 0.000 0.977 162 Q CA 1.284 57.138 55.803 0.084 0.000 0.850 162 Q CB -0.383 28.381 28.738 0.042 0.000 0.901 162 Q HN 0.438 nan 8.270 nan 0.000 0.429 163 L N 0.582 121.817 121.223 0.020 0.000 2.141 163 L HA -0.185 4.138 4.340 -0.030 0.000 0.209 163 L C 2.043 178.925 176.870 0.021 0.000 1.094 163 L CA 1.021 55.858 54.840 -0.005 0.000 0.763 163 L CB -0.265 41.761 42.059 -0.056 0.000 0.908 163 L HN 0.242 nan 8.230 nan 0.000 0.437 164 E N -0.503 119.730 120.200 0.056 0.000 2.209 164 E HA -0.196 4.136 4.350 -0.030 0.000 0.196 164 E C 1.591 178.230 176.600 0.065 0.000 0.993 164 E CA 1.713 58.159 56.400 0.077 0.000 0.819 164 E CB -0.048 29.733 29.700 0.135 0.000 0.745 164 E HN 0.559 nan 8.360 nan 0.000 0.477 165 T N -2.020 112.571 114.554 0.062 0.000 3.145 165 T HA 0.120 4.452 4.350 -0.030 0.000 0.255 165 T C 0.362 175.086 174.700 0.041 0.000 1.039 165 T CA -0.388 61.742 62.100 0.051 0.000 0.928 165 T CB 0.484 69.382 68.868 0.051 0.000 1.029 165 T HN -0.210 nan 8.240 nan 0.000 0.554 166 T N 1.946 116.521 114.554 0.035 0.000 2.797 166 T HA 0.520 4.852 4.350 -0.030 0.000 0.279 166 T C 0.863 175.581 174.700 0.030 0.000 0.991 166 T CA -0.506 61.612 62.100 0.031 0.000 0.979 166 T CB 1.739 70.621 68.868 0.023 0.000 0.943 166 T HN 0.335 nan 8.240 nan 0.000 0.444 167 S N 0.566 116.287 115.700 0.035 0.000 2.628 167 S HA 0.132 4.584 4.470 -0.030 0.000 0.246 167 S C 1.201 175.821 174.600 0.034 0.000 1.062 167 S CA -0.423 57.797 58.200 0.033 0.000 1.028 167 S CB 0.338 63.559 63.200 0.035 0.000 0.985 167 S HN 0.387 nan 8.310 nan 0.000 0.551 168 S N 1.691 117.413 115.700 0.037 0.000 2.575 168 S HA 0.414 4.867 4.470 -0.030 0.000 0.237 168 S C -0.127 174.496 174.600 0.038 0.000 0.975 168 S CA -0.504 57.717 58.200 0.036 0.000 0.960 168 S CB 0.040 63.262 63.200 0.036 0.000 0.822 168 S HN 0.514 nan 8.310 nan 0.000 0.472 169 L N 3.123 124.371 121.223 0.042 0.000 2.410 169 L HA 0.246 4.569 4.340 -0.030 0.000 0.273 169 L C -0.138 176.761 176.870 0.048 0.000 1.144 169 L CA 0.903 55.773 54.840 0.050 0.000 0.863 169 L CB 0.336 42.421 42.059 0.043 0.000 1.140 169 L HN 0.118 nan 8.230 nan 0.000 0.463 170 Q N 5.753 125.586 119.800 0.054 0.000 3.064 170 Q HA 0.486 4.809 4.340 -0.030 0.000 0.258 170 Q C -0.488 175.550 176.000 0.064 0.000 0.972 170 Q CA -0.566 55.269 55.803 0.054 0.000 0.761 170 Q CB 1.267 30.032 28.738 0.044 0.000 1.281 170 Q HN 0.859 nan 8.270 nan 0.000 0.455 171 A N 0.925 123.786 122.820 0.069 0.000 2.425 171 A HA 0.135 4.437 4.320 -0.030 0.000 0.249 171 A C 1.161 178.789 177.584 0.072 0.000 1.084 171 A CA -0.253 51.830 52.037 0.076 0.000 0.781 171 A CB 0.803 19.846 19.000 0.071 0.000 1.019 171 A HN 0.548 nan 8.150 nan 0.000 0.490 172 V N 1.708 121.665 119.914 0.072 0.000 2.490 172 V HA 0.224 4.327 4.120 -0.030 0.000 0.250 172 V C 1.007 177.135 176.094 0.057 0.000 1.061 172 V CA 2.357 64.693 62.300 0.060 0.000 1.064 172 V CB -0.454 31.402 31.823 0.056 0.000 0.670 172 V HN 1.436 nan 8.190 nan 0.000 0.461 173 A N -1.045 121.812 122.820 0.061 0.000 2.491 173 A HA 0.850 5.153 4.320 -0.030 0.000 0.293 173 A C -0.716 176.911 177.584 0.071 0.000 1.047 173 A CA 0.113 52.188 52.037 0.062 0.000 0.735 173 A CB 1.447 20.469 19.000 0.036 0.000 1.281 173 A HN 0.996 nan 8.150 nan 0.000 0.398 174 A N 1.008 123.897 122.820 0.115 0.000 2.435 174 A HA 0.974 5.276 4.320 -0.030 0.000 0.304 174 A C -0.338 177.363 177.584 0.194 0.000 1.064 174 A CA -0.230 51.876 52.037 0.114 0.000 0.727 174 A CB 1.828 20.902 19.000 0.125 0.000 1.284 174 A HN 1.657 nan 8.150 nan 0.000 0.415 175 T N 1.121 115.727 114.554 0.087 0.000 2.916 175 T HA 0.618 4.950 4.350 -0.030 0.000 0.305 175 T C -1.316 173.369 174.700 -0.024 0.000 1.119 175 T CA -0.347 61.847 62.100 0.158 0.000 1.008 175 T CB 0.553 69.510 68.868 0.149 0.000 1.129 175 T HN 0.491 nan 8.240 nan 0.000 0.480 176 I N 5.773 126.360 120.570 0.028 0.000 2.330 176 I HA 0.297 4.449 4.170 -0.030 0.000 0.289 176 I C 1.190 177.383 176.117 0.126 0.000 1.001 176 I CA -0.613 60.675 61.300 -0.020 0.000 1.193 176 I CB 1.602 39.547 38.000 -0.092 0.000 1.345 176 I HN 0.614 nan 8.210 nan 0.000 0.461 177 L N 5.568 126.861 121.223 0.117 0.000 2.156 177 L HA -0.021 4.301 4.340 -0.030 0.000 0.208 177 L C 0.092 177.093 176.870 0.219 0.000 1.095 177 L CA 0.866 55.857 54.840 0.252 0.000 0.770 177 L CB -0.449 41.702 42.059 0.154 0.000 0.914 177 L HN 0.828 nan 8.230 nan 0.000 0.439 178 N N -3.161 115.597 118.700 0.096 0.000 3.322 178 N HA 0.390 5.112 4.740 -0.030 0.000 0.233 178 N C -1.377 174.133 175.510 -0.001 0.000 1.399 178 N CA -0.763 52.320 53.050 0.056 0.000 0.894 178 N CB 1.695 40.230 38.487 0.079 0.000 1.440 178 N HN -0.306 nan 8.380 nan 0.000 0.503 179 V N 0.009 119.916 119.914 -0.012 0.000 2.488 179 V HA 0.777 4.879 4.120 -0.030 0.000 0.293 179 V C -0.564 175.553 176.094 0.038 0.000 1.027 179 V CA -0.274 62.000 62.300 -0.043 0.000 0.862 179 V CB 0.922 32.668 31.823 -0.128 0.000 1.008 179 V HN 1.046 nan 8.190 nan 0.000 0.428 180 T N 0.190 114.811 114.554 0.112 0.000 2.916 180 T HA 0.595 4.928 4.350 -0.030 0.000 0.292 180 T C -0.354 174.446 174.700 0.167 0.000 1.055 180 T CA -0.752 61.414 62.100 0.109 0.000 1.009 180 T CB 2.073 70.979 68.868 0.064 0.000 1.118 180 T HN 0.647 nan 8.240 nan 0.000 0.497 181 E N 0.926 121.175 120.200 0.081 0.000 2.694 181 E HA 0.116 4.448 4.350 -0.030 0.000 0.250 181 E C -0.860 175.682 176.600 -0.096 0.000 0.963 181 E CA 0.517 56.924 56.400 0.012 0.000 0.949 181 E CB 0.212 29.892 29.700 -0.033 0.000 0.911 181 E HN 0.627 nan 8.360 nan 0.000 0.500 182 D N 1.634 121.847 120.400 -0.312 0.000 2.623 182 D HA 0.167 4.790 4.640 -0.030 0.000 0.241 182 D C -0.950 174.997 176.300 -0.588 0.000 1.241 182 D CA -0.262 53.446 54.000 -0.485 0.000 0.788 182 D CB 0.704 41.248 40.800 -0.426 0.000 1.413 182 D HN 0.625 nan 8.370 nan 0.000 0.429 183 H N 1.886 120.839 119.070 -0.194 0.000 2.820 183 H HA -0.149 4.389 4.556 -0.030 0.000 0.295 183 H C 1.326 176.686 175.328 0.055 0.000 1.187 183 H CA 0.760 56.808 56.048 0.000 0.000 1.144 183 H CB -0.954 28.908 29.762 0.166 0.000 1.354 183 H HN 0.431 nan 8.280 nan 0.000 0.395 184 M N 0.483 120.098 119.600 0.025 0.000 2.279 184 M HA -0.096 4.366 4.480 -0.030 0.000 0.264 184 M C 2.145 178.485 176.300 0.066 0.000 1.062 184 M CA 1.789 57.121 55.300 0.055 0.000 1.099 184 M CB -0.575 32.008 32.600 -0.027 0.000 1.394 184 M HN 0.367 nan 8.290 nan 0.000 0.426 185 D N -0.076 120.350 120.400 0.044 0.000 2.311 185 D HA -0.205 4.418 4.640 -0.030 0.000 0.212 185 D C 1.452 177.758 176.300 0.010 0.000 0.972 185 D CA 1.068 55.081 54.000 0.021 0.000 0.887 185 D CB -0.410 40.400 40.800 0.015 0.000 0.915 185 D HN 0.400 nan 8.370 nan 0.000 0.497 186 R N -1.476 119.037 120.500 0.022 0.000 2.437 186 R HA 0.135 4.457 4.340 -0.030 0.000 0.257 186 R C -0.340 175.756 176.300 -0.340 0.000 0.927 186 R CA -0.194 55.830 56.100 -0.128 0.000 1.078 186 R CB 0.638 30.886 30.300 -0.088 0.000 1.161 186 R HN 0.116 nan 8.270 nan 0.000 0.529 187 Y N 0.649 121.035 120.300 0.143 0.000 2.592 187 Y HA 0.252 4.785 4.550 -0.028 0.000 0.354 187 Y C -1.848 174.123 175.900 0.118 0.000 1.063 187 Y CA -2.503 55.693 58.100 0.161 0.000 1.205 187 Y CB 1.438 39.990 38.460 0.154 0.000 1.106 187 Y HN -0.057 nan 8.280 nan 0.000 0.649 188 P HA -0.084 nan 4.420 nan 0.000 0.234 188 P C 0.449 177.651 177.300 -0.165 0.000 1.167 188 P CA 1.200 64.296 63.100 -0.007 0.000 0.763 188 P CB 0.024 31.672 31.700 -0.086 0.000 0.835 189 F N -0.062 119.963 119.950 0.125 0.000 2.668 189 F HA 0.405 4.914 4.527 -0.030 0.000 0.297 189 F C 1.802 177.660 175.800 0.096 0.000 1.124 189 F CA 0.311 58.368 58.000 0.095 0.000 1.353 189 F CB -0.209 38.843 39.000 0.088 0.000 0.992 189 F HN 0.032 nan 8.300 nan 0.000 0.524 190 G N 0.812 109.743 108.800 0.218 0.000 2.562 190 G HA2 -0.367 3.576 3.960 -0.030 0.000 0.250 190 G HA3 -0.367 3.576 3.960 -0.030 0.000 0.250 190 G C 0.566 175.549 174.900 0.139 0.000 1.269 190 G CA 0.009 45.193 45.100 0.139 0.000 0.919 190 G HN 0.251 nan 8.290 nan 0.000 0.574 191 L N 0.042 121.324 121.223 0.098 0.000 2.083 191 L HA -0.010 4.312 4.340 -0.030 0.000 0.209 191 L C 2.936 179.848 176.870 0.070 0.000 1.083 191 L CA 3.116 58.019 54.840 0.104 0.000 0.752 191 L CB -0.489 41.616 42.059 0.076 0.000 0.899 191 L HN 0.610 nan 8.230 nan 0.000 0.433 192 Q N -0.757 119.078 119.800 0.059 0.000 2.224 192 Q HA -0.225 4.097 4.340 -0.030 0.000 0.203 192 Q C 2.119 178.124 176.000 0.007 0.000 0.970 192 Q CA 1.494 57.312 55.803 0.025 0.000 0.865 192 Q CB -0.265 28.495 28.738 0.037 0.000 0.922 192 Q HN 0.709 nan 8.270 nan 0.000 0.445 193 Q N -0.561 119.277 119.800 0.062 0.000 2.083 193 Q HA -0.170 4.153 4.340 -0.030 0.000 0.198 193 Q C 1.868 177.771 176.000 -0.161 0.000 0.969 193 Q CA 0.868 56.706 55.803 0.057 0.000 0.838 193 Q CB -0.083 28.816 28.738 0.267 0.000 0.900 193 Q HN 0.331 nan 8.270 nan 0.000 0.436 194 Y N 1.406 121.376 120.300 -0.549 0.000 2.128 194 Y HA -0.241 4.293 4.550 -0.028 0.000 0.284 194 Y C 2.321 177.923 175.900 -0.497 0.000 1.154 194 Y CA 2.102 59.587 58.100 -1.025 0.000 1.149 194 Y CB -0.373 37.656 38.460 -0.719 0.000 0.976 194 Y HN 0.040 nan 8.280 nan 0.000 0.505 195 R N 0.271 120.541 120.500 -0.383 0.000 2.091 195 R HA -0.177 4.146 4.340 -0.030 0.000 0.238 195 R C 2.328 178.469 176.300 -0.264 0.000 1.136 195 R CA 1.446 57.328 56.100 -0.363 0.000 0.959 195 R CB -0.601 29.590 30.300 -0.182 0.000 0.856 195 R HN 0.437 nan 8.270 nan 0.000 0.437 196 A N 1.114 123.828 122.820 -0.176 0.000 1.933 196 A HA 0.039 4.342 4.320 -0.030 0.000 0.218 196 A C 1.374 178.886 177.584 -0.120 0.000 1.175 196 A CA 1.233 53.205 52.037 -0.108 0.000 0.628 196 A CB -0.664 18.301 19.000 -0.058 0.000 0.814 196 A HN 0.572 nan 8.150 nan 0.000 0.444 200 R N 0.731 121.171 120.500 -0.100 0.000 2.200 200 R HA -0.085 4.237 4.340 -0.030 0.000 0.234 200 R C 1.996 178.249 176.300 -0.078 0.000 1.127 200 R CA 1.657 57.722 56.100 -0.058 0.000 0.989 200 R CB -0.156 30.116 30.300 -0.046 0.000 0.869 200 R HN 0.370 nan 8.270 nan 0.000 0.459 201 I N 0.058 120.510 120.570 -0.197 0.000 2.614 201 I HA -0.251 3.901 4.170 -0.030 0.000 0.258 201 I C 0.946 176.993 176.117 -0.116 0.000 1.189 201 I CA 1.158 62.333 61.300 -0.209 0.000 1.462 201 I CB 0.157 37.955 38.000 -0.336 0.000 1.092 201 I HN 0.131 nan 8.210 nan 0.000 0.442 202 Y N 0.743 121.037 120.300 -0.010 0.000 2.523 202 Y HA 0.110 4.647 4.550 -0.023 0.000 0.279 202 Y C 0.951 176.851 175.900 0.001 0.000 1.139 202 Y CA -0.258 57.840 58.100 -0.003 0.000 1.296 202 Y CB -0.366 38.089 38.460 -0.008 0.000 1.045 202 Y HN 0.006 nan 8.280 nan 0.000 0.538 203 E N 1.429 121.712 120.200 0.138 0.000 2.417 203 E HA -0.060 4.272 4.350 -0.030 0.000 0.261 203 E C 0.152 176.795 176.600 0.072 0.000 1.000 203 E CA 0.180 56.632 56.400 0.087 0.000 0.919 203 E CB -0.103 29.630 29.700 0.054 0.000 0.955 203 E HN 0.467 nan 8.360 nan 0.000 0.455 204 N N 0.042 118.779 118.700 0.061 0.000 2.753 204 N HA -0.245 4.477 4.740 -0.030 0.000 0.251 204 N C -0.495 175.051 175.510 0.060 0.000 1.097 204 N CA 0.673 53.754 53.050 0.051 0.000 0.786 204 N CB -0.798 37.714 38.487 0.042 0.000 1.137 204 N HN 0.563 nan 8.380 nan 0.000 0.566 205 A N 0.558 123.427 122.820 0.082 0.000 2.401 205 A HA 0.243 4.545 4.320 -0.030 0.000 0.259 205 A C 1.324 178.947 177.584 0.065 0.000 1.103 205 A CA -0.067 52.023 52.037 0.089 0.000 0.789 205 A CB 0.721 19.806 19.000 0.142 0.000 1.035 205 A HN 0.305 nan 8.150 nan 0.000 0.491 206 K N 1.365 121.800 120.400 0.057 0.000 2.057 206 K HA 0.026 4.329 4.320 -0.030 0.000 0.206 206 K C -0.103 176.521 176.600 0.040 0.000 1.050 206 K CA 1.353 57.666 56.287 0.043 0.000 0.935 206 K CB -0.011 32.514 32.500 0.041 0.000 0.715 206 K HN 0.514 nan 8.250 nan 0.000 0.439 207 V N 0.880 120.824 119.914 0.051 0.000 2.656 207 V HA 0.228 4.330 4.120 -0.030 0.000 0.307 207 V C -0.814 175.319 176.094 0.064 0.000 1.051 207 V CA -1.010 61.317 62.300 0.045 0.000 0.893 207 V CB 1.674 33.526 31.823 0.048 0.000 0.999 207 V HN 0.206 nan 8.190 nan 0.000 0.426 208 C N 4.293 123.607 119.300 0.024 0.000 2.329 208 C HA 0.719 5.162 4.460 -0.030 0.000 0.329 208 C C 0.157 175.162 174.990 0.025 0.000 1.275 208 C CA -0.721 58.306 59.018 0.016 0.000 1.726 208 C CB 1.137 28.689 27.740 -0.315 0.000 2.291 208 C HN 0.628 nan 8.230 nan 0.000 0.514 209 V N 4.778 124.780 119.914 0.146 0.000 2.357 209 V HA 0.566 4.668 4.120 -0.030 0.000 0.284 209 V C 0.102 176.336 176.094 0.234 0.000 1.018 209 V CA -0.208 62.190 62.300 0.164 0.000 0.841 209 V CB 1.326 33.242 31.823 0.156 0.000 0.991 209 V HN 0.797 nan 8.190 nan 0.000 0.437 210 V N 2.172 122.153 119.914 0.111 0.000 3.019 210 V HA 0.691 4.793 4.120 -0.030 0.000 0.317 210 V C -0.164 175.762 176.094 -0.280 0.000 1.094 210 V CA -0.930 61.380 62.300 0.018 0.000 1.000 210 V CB 2.191 33.968 31.823 -0.076 0.000 1.060 210 V HN 0.691 nan 8.190 nan 0.000 0.443 211 N N 1.889 120.339 118.700 -0.416 0.000 2.437 211 N HA 0.421 5.143 4.740 -0.030 0.000 0.243 211 N C 0.894 176.146 175.510 -0.429 0.000 1.041 211 N CA 0.305 52.840 53.050 -0.857 0.000 0.940 211 N CB 1.460 39.646 38.487 -0.502 0.000 1.133 211 N HN 1.014 nan 8.380 nan 0.000 0.506 212 A N 3.186 125.770 122.820 -0.392 0.000 2.125 212 A HA -0.109 4.193 4.320 -0.030 0.000 0.219 212 A C 1.082 178.589 177.584 -0.129 0.000 1.156 212 A CA 1.180 53.106 52.037 -0.185 0.000 0.671 212 A CB 0.028 18.959 19.000 -0.114 0.000 0.794 212 A HN 0.685 nan 8.150 nan 0.000 0.459 213 D N -0.673 119.640 120.400 -0.144 0.000 2.349 213 D HA 0.067 4.689 4.640 -0.030 0.000 0.214 213 D C -0.464 175.804 176.300 -0.053 0.000 1.063 213 D CA 0.320 54.281 54.000 -0.065 0.000 0.847 213 D CB 0.377 41.163 40.800 -0.023 0.000 0.933 213 D HN 0.365 nan 8.370 nan 0.000 0.513 214 D N 0.059 120.411 120.400 -0.080 0.000 2.402 214 D HA 0.303 4.926 4.640 -0.030 0.000 0.252 214 D C 0.792 177.063 176.300 -0.048 0.000 1.294 214 D CA -0.627 53.345 54.000 -0.047 0.000 0.948 214 D CB 1.295 42.077 40.800 -0.030 0.000 1.202 214 D HN -0.123 nan 8.370 nan 0.000 0.561 215 A N 3.938 126.737 122.820 -0.035 0.000 2.019 215 A HA -0.078 4.224 4.320 -0.030 0.000 0.219 215 A C 2.054 179.625 177.584 -0.023 0.000 1.164 215 A CA 0.804 52.822 52.037 -0.032 0.000 0.644 215 A CB -0.326 18.659 19.000 -0.024 0.000 0.805 215 A HN 0.692 nan 8.150 nan 0.000 0.449 216 L N 0.104 121.315 121.223 -0.020 0.000 2.465 216 L HA -0.090 4.232 4.340 -0.030 0.000 0.224 216 L C 2.551 179.415 176.870 -0.010 0.000 1.145 216 L CA 1.514 56.341 54.840 -0.021 0.000 0.834 216 L CB -0.720 41.320 42.059 -0.031 0.000 0.944 216 L HN 0.651 nan 8.230 nan 0.000 0.451 217 T N -3.703 110.854 114.554 0.005 0.000 3.148 217 T HA 0.072 4.404 4.350 -0.030 0.000 0.253 217 T C 0.900 175.679 174.700 0.132 0.000 1.134 217 T CA -0.006 62.135 62.100 0.068 0.000 1.051 217 T CB 0.004 68.907 68.868 0.059 0.000 0.959 217 T HN -0.072 nan 8.240 nan 0.000 0.525 218 M N 2.552 122.176 119.600 0.040 0.000 2.216 218 M HA 0.427 4.889 4.480 -0.030 0.000 0.356 218 M C -2.560 173.742 176.300 0.004 0.000 1.205 218 M CA -2.958 52.329 55.300 -0.022 0.000 1.122 218 M CB 0.640 33.213 32.600 -0.046 0.000 1.571 218 M HN -0.092 nan 8.290 nan 0.000 0.464 219 P HA 0.126 nan 4.420 nan 0.000 0.268 219 P C 0.944 178.236 177.300 -0.012 0.000 1.208 219 P CA -0.009 63.087 63.100 -0.007 0.000 0.777 219 P CB 0.665 32.306 31.700 -0.098 0.000 0.875 220 I N -0.613 119.961 120.570 0.007 0.000 2.454 220 I HA -0.156 3.996 4.170 -0.030 0.000 0.254 220 I C 1.273 177.382 176.117 -0.013 0.000 1.156 220 I CA 1.402 62.700 61.300 -0.003 0.000 1.433 220 I CB -0.159 37.841 38.000 0.001 0.000 1.082 220 I HN 0.321 nan 8.210 nan 0.000 0.432 221 R N 0.772 121.263 120.500 -0.016 0.000 2.673 221 R HA 0.662 4.984 4.340 -0.030 0.000 0.281 221 R C -0.945 175.331 176.300 -0.040 0.000 0.991 221 R CA -0.513 55.573 56.100 -0.024 0.000 0.896 221 R CB 1.943 32.234 30.300 -0.015 0.000 1.201 221 R HN 0.036 nan 8.270 nan 0.000 0.457 222 G N 0.807 109.580 108.800 -0.045 0.000 2.733 222 G HA2 0.619 4.561 3.960 -0.030 0.000 0.297 222 G HA3 0.619 4.561 3.960 -0.030 0.000 0.297 222 G C -1.271 173.607 174.900 -0.037 0.000 1.422 222 G CA -0.054 45.017 45.100 -0.048 0.000 0.942 222 G HN 0.749 nan 8.290 nan 0.000 0.510 223 A N 0.774 123.577 122.820 -0.029 0.000 2.713 223 A HA 0.573 4.875 4.320 -0.030 0.000 0.212 223 A C 0.958 178.531 177.584 -0.019 0.000 2.263 223 A CA 0.380 52.404 52.037 -0.021 0.000 1.645 223 A CB -0.324 18.667 19.000 -0.016 0.000 1.159 223 A HN 0.460 nan 8.150 nan 0.000 0.394 224 D N 0.699 121.090 120.400 -0.015 0.000 2.400 224 D HA 0.144 4.766 4.640 -0.030 0.000 0.243 224 D C -0.034 176.259 176.300 -0.012 0.000 1.184 224 D CA 0.527 54.520 54.000 -0.012 0.000 0.853 224 D CB -0.093 40.702 40.800 -0.008 0.000 0.944 224 D HN 0.612 nan 8.370 nan 0.000 0.501 225 E N -0.574 119.615 120.200 -0.017 0.000 3.625 225 E HA 0.039 4.371 4.350 -0.030 0.000 0.166 225 E C -0.202 176.381 176.600 -0.028 0.000 0.978 225 E CA -0.664 55.725 56.400 -0.018 0.000 1.429 225 E CB 0.024 29.714 29.700 -0.017 0.000 1.100 225 E HN 0.122 nan 8.360 nan 0.000 0.428 226 R N 0.008 120.492 120.500 -0.027 0.000 2.738 226 R HA 0.325 4.648 4.340 -0.030 0.000 0.268 226 R C -0.259 176.015 176.300 -0.044 0.000 1.062 226 R CA -0.334 55.742 56.100 -0.039 0.000 1.158 226 R CB 0.378 30.661 30.300 -0.029 0.000 1.046 226 R HN 0.132 nan 8.270 nan 0.000 0.493 227 C N 1.715 120.971 119.300 -0.073 0.000 2.657 227 C HA 0.206 4.649 4.460 -0.030 0.000 0.404 227 C C 0.636 175.621 174.990 -0.008 0.000 1.291 227 C CA -0.781 58.193 59.018 -0.073 0.000 2.218 227 C CB 0.566 28.215 27.740 -0.153 0.000 2.687 227 C HN 0.552 nan 8.230 nan 0.000 0.634 228 V N 3.451 123.387 119.914 0.037 0.000 2.686 228 V HA 0.407 4.509 4.120 -0.030 0.000 0.295 228 V C 0.497 176.664 176.094 0.122 0.000 1.055 228 V CA 0.274 62.642 62.300 0.113 0.000 1.050 228 V CB 1.270 33.188 31.823 0.157 0.000 0.984 228 V HN 1.084 nan 8.190 nan 0.000 0.482 229 S N 4.391 120.193 115.700 0.170 0.000 2.566 229 S HA 0.876 5.329 4.470 -0.030 0.000 0.298 229 S C -0.889 173.875 174.600 0.273 0.000 1.083 229 S CA -0.755 57.515 58.200 0.117 0.000 0.978 229 S CB 1.922 65.130 63.200 0.014 0.000 1.073 229 S HN 0.663 nan 8.310 nan 0.000 0.491 230 F N -0.670 119.359 119.950 0.132 0.000 2.561 230 F HA 1.026 5.538 4.527 -0.025 0.000 0.321 230 F C 0.151 176.034 175.800 0.138 0.000 1.065 230 F CA -0.475 57.624 58.000 0.166 0.000 0.934 230 F CB 1.411 40.468 39.000 0.095 0.000 1.215 230 F HN 1.019 nan 8.300 nan 0.000 0.471 231 G N 0.898 109.851 108.800 0.255 0.000 2.554 231 G HA2 0.431 4.373 3.960 -0.030 0.000 0.306 231 G HA3 0.431 4.373 3.960 -0.030 0.000 0.306 231 G C -1.012 174.036 174.900 0.246 0.000 1.320 231 G CA -0.290 44.891 45.100 0.135 0.000 0.800 231 G HN 0.686 nan 8.290 nan 0.000 0.481 232 V N 0.373 120.403 119.914 0.192 0.000 2.391 232 V HA 0.058 4.160 4.120 -0.030 0.000 0.237 232 V C 1.970 178.203 176.094 0.232 0.000 1.046 232 V CA 1.452 63.891 62.300 0.232 0.000 1.053 232 V CB -0.234 31.715 31.823 0.211 0.000 0.704 232 V HN 0.626 nan 8.190 nan 0.000 0.475 233 N N 0.304 119.097 118.700 0.155 0.000 2.325 233 N HA 0.201 4.924 4.740 -0.030 0.000 0.182 233 N C 0.356 175.861 175.510 -0.009 0.000 1.088 233 N CA 0.336 53.450 53.050 0.108 0.000 0.879 233 N CB 0.649 39.184 38.487 0.080 0.000 0.983 233 N HN 0.575 nan 8.380 nan 0.000 0.471 234 M N -2.096 117.506 119.600 0.003 0.000 2.631 234 M HA 0.740 5.202 4.480 -0.030 0.000 0.288 234 M C -0.490 175.818 176.300 0.014 0.000 1.260 234 M CA -0.708 54.545 55.300 -0.078 0.000 0.842 234 M CB 2.865 35.431 32.600 -0.056 0.000 1.743 234 M HN -0.066 nan 8.290 nan 0.000 0.461 235 G N 0.696 109.499 108.800 0.004 0.000 2.335 235 G HA2 -0.009 3.933 3.960 -0.030 0.000 0.592 235 G HA3 -0.009 3.933 3.960 -0.030 0.000 0.592 235 G C -0.813 174.205 174.900 0.198 0.000 1.442 235 G CA -0.320 44.850 45.100 0.117 0.000 0.976 235 G HN 0.808 nan 8.290 nan 0.000 0.652 236 D N -0.659 119.864 120.400 0.206 0.000 2.123 236 D HA -0.053 4.569 4.640 -0.030 0.000 0.196 236 D C 0.369 176.725 176.300 0.093 0.000 0.992 236 D CA 1.737 55.831 54.000 0.157 0.000 0.833 236 D CB 0.072 40.977 40.800 0.175 0.000 0.954 236 D HN 0.395 nan 8.370 nan 0.000 0.455 237 Y N 0.669 121.093 120.300 0.207 0.000 2.342 237 Y HA 0.259 4.790 4.550 -0.031 0.000 0.338 237 Y C 0.755 176.778 175.900 0.206 0.000 0.965 237 Y CA -0.713 57.474 58.100 0.146 0.000 1.159 237 Y CB 1.067 39.620 38.460 0.154 0.000 1.157 237 Y HN 0.022 nan 8.280 nan 0.000 0.486 238 H N 1.706 120.890 119.070 0.190 0.000 2.960 238 H HA 0.554 5.105 4.556 -0.009 0.000 0.323 238 H C -1.812 173.580 175.328 0.107 0.000 1.326 238 H CA -1.260 54.883 56.048 0.158 0.000 1.124 238 H CB 0.963 30.789 29.762 0.107 0.000 1.853 238 H HN 0.548 nan 8.280 nan 0.000 0.536 239 L N 0.992 122.318 121.223 0.173 0.000 2.357 239 L HA 0.364 4.686 4.340 -0.030 0.000 0.273 239 L C 0.511 177.417 176.870 0.060 0.000 1.080 239 L CA -0.625 54.229 54.840 0.024 0.000 0.803 239 L CB 1.117 43.162 42.059 -0.023 0.000 1.174 239 L HN 0.619 nan 8.230 nan 0.000 0.443 240 N N 0.756 119.429 118.700 -0.045 0.000 2.448 240 N HA 0.252 4.975 4.740 -0.030 0.000 0.279 240 N C -1.196 174.299 175.510 -0.026 0.000 1.025 240 N CA -0.661 52.412 53.050 0.039 0.000 0.898 240 N CB 0.921 39.432 38.487 0.039 0.000 1.303 240 N HN 0.637 nan 8.380 nan 0.000 0.495 241 H N 2.384 121.547 119.070 0.155 0.000 2.562 241 H HA 0.206 4.742 4.556 -0.032 0.000 0.314 241 H C -0.452 174.959 175.328 0.138 0.000 1.079 241 H CA -0.259 55.876 56.048 0.144 0.000 1.349 241 H CB 1.527 31.353 29.762 0.107 0.000 1.432 241 H HN 0.453 nan 8.280 nan 0.000 0.479 242 Q N 3.894 123.852 119.800 0.262 0.000 2.347 242 Q HA 0.102 4.424 4.340 -0.030 0.000 0.265 242 Q C 0.684 176.782 176.000 0.164 0.000 1.024 242 Q CA -0.441 55.484 55.803 0.204 0.000 0.731 242 Q CB 2.609 31.512 28.738 0.275 0.000 1.245 242 Q HN 0.867 nan 8.270 nan 0.000 0.472 243 Q N 0.966 120.838 119.800 0.120 0.000 2.049 243 Q HA -0.314 4.008 4.340 -0.030 0.000 0.409 243 Q C 0.487 176.545 176.000 0.097 0.000 0.726 243 Q CA 1.901 57.758 55.803 0.090 0.000 0.896 243 Q CB -1.697 27.085 28.738 0.074 0.000 3.134 243 Q HN 0.730 nan 8.270 nan 0.000 0.836 244 G N 0.854 109.700 108.800 0.078 0.000 2.985 244 G HA2 0.161 4.104 3.960 -0.030 0.000 0.209 244 G HA3 0.161 4.104 3.960 -0.030 0.000 0.209 244 G C -0.025 174.921 174.900 0.078 0.000 1.165 244 G CA 0.277 45.421 45.100 0.073 0.000 0.776 244 G HN 0.391 nan 8.290 nan 0.000 0.541 245 E N 0.053 120.302 120.200 0.082 0.000 2.222 245 E HA 0.482 4.814 4.350 -0.030 0.000 0.272 245 E C -0.734 175.880 176.600 0.023 0.000 0.982 245 E CA -0.257 56.148 56.400 0.009 0.000 0.842 245 E CB 1.517 31.209 29.700 -0.013 0.000 1.144 245 E HN -0.007 nan 8.360 nan 0.000 0.397 246 T N 1.330 115.786 114.554 -0.164 0.000 2.863 246 T HA 0.416 4.748 4.350 -0.030 0.000 0.285 246 T C -1.233 173.233 174.700 -0.389 0.000 1.009 246 T CA -0.712 61.248 62.100 -0.233 0.000 0.989 246 T CB 0.614 69.293 68.868 -0.315 0.000 1.004 246 T HN 0.311 nan 8.240 nan 0.000 0.455 247 W N 1.839 122.977 121.300 -0.271 0.000 2.689 247 W HA 0.634 5.277 4.660 -0.030 0.000 0.340 247 W C -0.691 175.687 176.519 -0.235 0.000 1.060 247 W CA -1.028 56.183 57.345 -0.223 0.000 1.218 247 W CB 0.999 30.366 29.460 -0.154 0.000 1.410 247 W HN 0.368 nan 8.180 nan 0.000 0.528 248 L N 4.080 125.331 121.223 0.047 0.000 2.319 248 L HA 0.508 4.831 4.340 -0.030 0.000 0.280 248 L C 0.496 177.364 176.870 -0.003 0.000 1.099 248 L CA -0.441 54.401 54.840 0.003 0.000 0.828 248 L CB 0.235 42.296 42.059 0.005 0.000 1.150 248 L HN 0.370 nan 8.230 nan 0.000 0.442 249 R N 2.488 122.883 120.500 -0.174 0.000 2.803 249 R HA 0.700 5.022 4.340 -0.030 0.000 0.276 249 R C -1.308 174.770 176.300 -0.371 0.000 0.978 249 R CA -0.911 55.006 56.100 -0.305 0.000 0.939 249 R CB 2.800 32.780 30.300 -0.532 0.000 1.179 249 R HN 0.299 nan 8.270 nan 0.000 0.472 250 V N 2.971 122.707 119.914 -0.297 0.000 2.376 250 V HA 0.189 4.292 4.120 -0.030 0.000 0.287 250 V C -0.046 175.911 176.094 -0.228 0.000 1.015 250 V CA -0.893 61.174 62.300 -0.388 0.000 0.834 250 V CB 1.175 32.738 31.823 -0.433 0.000 1.001 250 V HN 0.755 nan 8.190 nan 0.000 0.428 251 K N 3.940 124.269 120.400 -0.117 0.000 3.156 251 K HA -0.254 4.048 4.320 -0.030 0.000 0.266 251 K C 1.153 177.771 176.600 0.030 0.000 0.966 251 K CA 0.650 56.940 56.287 0.004 0.000 0.719 251 K CB -1.462 31.000 32.500 -0.063 0.000 1.333 251 K HN 1.537 nan 8.250 nan 0.000 0.468 252 G N 0.051 108.920 108.800 0.114 0.000 2.225 252 G HA2 -0.368 3.574 3.960 -0.030 0.000 0.254 252 G HA3 -0.368 3.574 3.960 -0.030 0.000 0.254 252 G C -0.116 174.755 174.900 -0.049 0.000 0.988 252 G CA 0.521 45.653 45.100 0.053 0.000 0.625 252 G HN 0.546 nan 8.290 nan 0.000 0.527 253 E N 1.099 121.245 120.200 -0.089 0.000 2.174 253 E HA 0.501 4.834 4.350 -0.030 0.000 0.282 253 E C 0.241 176.758 176.600 -0.138 0.000 0.992 253 E CA -0.775 55.558 56.400 -0.112 0.000 0.803 253 E CB 0.427 30.072 29.700 -0.091 0.000 1.090 253 E HN 0.277 nan 8.360 nan 0.000 0.396 254 K N 2.800 123.089 120.400 -0.185 0.000 2.412 254 K HA 0.036 4.338 4.320 -0.030 0.000 0.281 254 K C 0.767 177.359 176.600 -0.013 0.000 1.027 254 K CA 0.007 56.197 56.287 -0.162 0.000 0.989 254 K CB 1.071 33.263 32.500 -0.513 0.000 0.935 254 K HN 0.472 nan 8.250 nan 0.000 0.475 255 V N 1.230 121.194 119.914 0.084 0.000 3.572 255 V HA 0.306 4.408 4.120 -0.030 0.000 0.260 255 V C -0.198 175.987 176.094 0.153 0.000 1.324 255 V CA -0.117 62.238 62.300 0.092 0.000 1.068 255 V CB 0.200 32.045 31.823 0.037 0.000 0.837 255 V HN 0.499 nan 8.190 nan 0.000 0.450 256 L N 1.663 123.021 121.223 0.225 0.000 2.611 256 L HA 0.579 4.901 4.340 -0.030 0.000 0.260 256 L C -1.183 175.615 176.870 -0.119 0.000 0.924 256 L CA -0.271 54.614 54.840 0.076 0.000 0.901 256 L CB 1.996 44.046 42.059 -0.015 0.000 1.369 256 L HN 0.211 nan 8.230 nan 0.000 0.415 257 N N 2.715 121.051 118.700 -0.607 0.000 2.458 257 N HA 0.132 4.854 4.740 -0.030 0.000 0.270 257 N C 1.098 176.239 175.510 -0.615 0.000 1.102 257 N CA 0.345 52.677 53.050 -1.196 0.000 0.967 257 N CB 1.776 39.398 38.487 -1.443 0.000 1.078 257 N HN 0.632 nan 8.380 nan 0.000 0.471 258 V N 2.941 122.491 119.914 -0.608 0.000 3.078 258 V HA -0.156 3.946 4.120 -0.030 0.000 0.265 258 V C 2.002 177.917 176.094 -0.298 0.000 1.122 258 V CA 1.675 63.681 62.300 -0.491 0.000 1.141 258 V CB -0.860 30.398 31.823 -0.942 0.000 0.735 258 V HN 0.803 nan 8.190 nan 0.000 0.498 259 K N 0.209 120.426 120.400 -0.304 0.000 2.360 259 K HA -0.153 4.149 4.320 -0.030 0.000 0.201 259 K C 1.627 178.149 176.600 -0.130 0.000 1.046 259 K CA 1.697 57.876 56.287 -0.180 0.000 0.940 259 K CB -0.278 32.113 32.500 -0.183 0.000 0.748 259 K HN 0.466 nan 8.250 nan 0.000 0.465 260 E N 0.664 120.770 120.200 -0.156 0.000 2.371 260 E HA 0.079 4.411 4.350 -0.030 0.000 0.194 260 E C 0.614 177.186 176.600 -0.047 0.000 1.012 260 E CA 0.442 56.785 56.400 -0.095 0.000 0.860 260 E CB -0.018 29.621 29.700 -0.101 0.000 0.811 260 E HN 0.454 nan 8.360 nan 0.000 0.502 261 M N 0.705 120.281 119.600 -0.040 0.000 2.241 261 M HA 0.074 4.537 4.480 -0.030 0.000 0.335 261 M C 1.364 177.685 176.300 0.036 0.000 1.122 261 M CA -0.017 55.298 55.300 0.025 0.000 1.164 261 M CB 0.822 33.464 32.600 0.071 0.000 1.459 261 M HN -0.324 nan 8.290 nan 0.000 0.461 262 K N 1.533 121.960 120.400 0.044 0.000 2.262 262 K HA 0.267 4.569 4.320 -0.030 0.000 0.200 262 K C 0.392 177.008 176.600 0.026 0.000 1.049 262 K CA 0.556 56.855 56.287 0.020 0.000 0.979 262 K CB -0.075 32.417 32.500 -0.014 0.000 0.773 262 K HN 0.604 nan 8.250 nan 0.000 0.474 263 L N 2.007 123.264 121.223 0.058 0.000 2.426 263 L HA 0.063 4.385 4.340 -0.030 0.000 0.271 263 L C 0.329 177.229 176.870 0.051 0.000 1.169 263 L CA 0.130 54.992 54.840 0.038 0.000 0.836 263 L CB 0.762 42.866 42.059 0.076 0.000 1.112 263 L HN -0.040 nan 8.230 nan 0.000 0.465 264 S N 0.487 116.145 115.700 -0.071 0.000 2.677 264 S HA 0.880 5.332 4.470 -0.030 0.000 0.304 264 S C -0.102 174.210 174.600 -0.479 0.000 1.108 264 S CA -0.138 57.978 58.200 -0.140 0.000 0.944 264 S CB 2.034 65.218 63.200 -0.025 0.000 1.127 264 S HN 1.029 nan 8.310 nan 0.000 0.511 265 G N 0.920 109.339 108.800 -0.634 0.000 2.907 265 G HA2 -0.133 3.809 3.960 -0.030 0.000 0.686 265 G HA3 -0.133 3.809 3.960 -0.030 0.000 0.686 265 G C 0.130 174.484 174.900 -0.910 0.000 1.115 265 G CA 0.032 44.774 45.100 -0.597 0.000 0.760 265 G HN 0.668 nan 8.290 nan 0.000 0.620 266 Q N 0.417 119.997 119.800 -0.367 0.000 2.112 266 Q HA -0.264 4.058 4.340 -0.030 0.000 0.206 266 Q C 2.354 178.273 176.000 -0.135 0.000 0.987 266 Q CA 2.414 58.143 55.803 -0.123 0.000 0.858 266 Q CB -0.164 28.642 28.738 0.115 0.000 0.905 266 Q HN 0.986 nan 8.270 nan 0.000 0.420 267 H N -1.260 117.724 119.070 -0.144 0.000 2.495 267 H HA 0.030 4.568 4.556 -0.031 0.000 0.287 267 H C 1.205 176.484 175.328 -0.082 0.000 1.033 267 H CA 1.076 57.086 56.048 -0.064 0.000 1.307 267 H CB -0.150 29.579 29.762 -0.055 0.000 1.401 267 H HN 0.267 nan 8.280 nan 0.000 0.555 268 N N 0.735 118.946 118.700 -0.816 0.000 2.270 268 N HA -0.102 4.620 4.740 -0.030 0.000 0.181 268 N C 1.469 176.881 175.510 -0.163 0.000 1.016 268 N CA 0.674 53.445 53.050 -0.465 0.000 0.870 268 N CB -0.369 37.821 38.487 -0.495 0.000 0.979 268 N HN 0.325 nan 8.380 nan 0.000 0.431 269 Y N 1.266 121.502 120.300 -0.107 0.000 2.200 269 Y HA -0.104 4.427 4.550 -0.031 0.000 0.290 269 Y C 2.721 178.612 175.900 -0.016 0.000 1.137 269 Y CA 1.263 59.336 58.100 -0.045 0.000 1.163 269 Y CB -1.476 36.973 38.460 -0.018 0.000 0.988 269 Y HN 0.170 nan 8.280 nan 0.000 0.518 270 T N -2.262 112.386 114.554 0.157 0.000 2.951 270 T HA -0.109 4.223 4.350 -0.030 0.000 0.268 270 T C 1.668 176.317 174.700 -0.085 0.000 1.073 270 T CA 1.232 63.424 62.100 0.153 0.000 1.134 270 T CB -0.342 68.714 68.868 0.314 0.000 0.884 270 T HN 0.168 nan 8.240 nan 0.000 0.479 271 N N 2.293 120.943 118.700 -0.084 0.000 2.142 271 N HA 0.082 4.804 4.740 -0.030 0.000 0.186 271 N C 2.291 177.681 175.510 -0.199 0.000 1.023 271 N CA 1.552 54.498 53.050 -0.172 0.000 0.852 271 N CB -0.881 37.550 38.487 -0.094 0.000 0.998 271 N HN 0.604 nan 8.380 nan 0.000 0.424 272 A N 1.377 124.142 122.820 -0.093 0.000 1.908 272 A HA -0.085 4.217 4.320 -0.030 0.000 0.218 272 A C 2.391 179.905 177.584 -0.115 0.000 1.181 272 A CA 1.017 53.010 52.037 -0.073 0.000 0.627 272 A CB -0.819 18.199 19.000 0.029 0.000 0.818 272 A HN 0.225 nan 8.150 nan 0.000 0.445 273 L N -0.836 120.328 121.223 -0.097 0.000 2.012 273 L HA -0.230 4.092 4.340 -0.030 0.000 0.210 273 L C 3.130 179.783 176.870 -0.361 0.000 1.073 273 L CA 1.206 55.994 54.840 -0.087 0.000 0.748 273 L CB -0.650 41.470 42.059 0.101 0.000 0.891 273 L HN 0.449 nan 8.230 nan 0.000 0.431 274 A N 0.016 122.423 122.820 -0.688 0.000 1.902 274 A HA -0.181 4.121 4.320 -0.030 0.000 0.217 274 A C 2.540 179.844 177.584 -0.466 0.000 1.181 274 A CA 1.815 53.325 52.037 -0.878 0.000 0.623 274 A CB -0.745 17.499 19.000 -1.260 0.000 0.818 274 A HN 0.413 nan 8.150 nan 0.000 0.443 275 A N -0.662 121.947 122.820 -0.353 0.000 1.902 275 A HA -0.050 4.252 4.320 -0.030 0.000 0.217 275 A C 2.136 179.593 177.584 -0.213 0.000 1.181 275 A CA 1.739 53.630 52.037 -0.245 0.000 0.623 275 A CB -0.617 18.252 19.000 -0.219 0.000 0.818 275 A HN 0.626 nan 8.150 nan 0.000 0.443 276 L N -0.357 120.742 121.223 -0.206 0.000 2.083 276 L HA -0.053 4.269 4.340 -0.030 0.000 0.209 276 L C 2.693 179.414 176.870 -0.249 0.000 1.083 276 L CA 1.997 56.757 54.840 -0.132 0.000 0.752 276 L CB -0.624 41.438 42.059 0.006 0.000 0.899 276 L HN 0.351 nan 8.230 nan 0.000 0.433 277 A N -0.759 121.678 122.820 -0.637 0.000 1.933 277 A HA -0.149 4.154 4.320 -0.030 0.000 0.218 277 A C 2.223 179.637 177.584 -0.283 0.000 1.175 277 A CA 1.880 53.423 52.037 -0.824 0.000 0.628 277 A CB -0.767 17.596 19.000 -1.061 0.000 0.814 277 A HN 0.481 nan 8.150 nan 0.000 0.444 278 L N -0.907 120.186 121.223 -0.216 0.000 2.072 278 L HA -0.129 4.193 4.340 -0.030 0.000 0.205 278 L C 3.103 179.934 176.870 -0.063 0.000 1.079 278 L CA 0.969 55.748 54.840 -0.103 0.000 0.752 278 L CB -0.568 41.434 42.059 -0.096 0.000 0.906 278 L HN 0.409 nan 8.230 nan 0.000 0.436 279 A N 0.026 122.801 122.820 -0.075 0.000 1.877 279 A HA -0.248 4.054 4.320 -0.030 0.000 0.216 279 A C 1.953 179.533 177.584 -0.006 0.000 1.186 279 A CA 2.069 54.083 52.037 -0.038 0.000 0.620 279 A CB -0.610 18.364 19.000 -0.042 0.000 0.822 279 A HN 0.349 nan 8.150 nan 0.000 0.443 280 D N 0.054 120.461 120.400 0.011 0.000 2.123 280 D HA -0.105 4.517 4.640 -0.030 0.000 0.196 280 D C 2.189 178.518 176.300 0.049 0.000 0.992 280 D CA 1.701 55.737 54.000 0.060 0.000 0.833 280 D CB -0.446 40.445 40.800 0.151 0.000 0.954 280 D HN 0.437 nan 8.370 nan 0.000 0.455 281 A N 0.650 123.491 122.820 0.035 0.000 1.969 281 A HA 0.058 4.360 4.320 -0.030 0.000 0.218 281 A C 2.162 179.764 177.584 0.030 0.000 1.169 281 A CA 1.673 53.733 52.037 0.038 0.000 0.635 281 A CB -0.393 18.626 19.000 0.032 0.000 0.810 281 A HN 0.219 nan 8.150 nan 0.000 0.445 282 A N -1.733 121.099 122.820 0.020 0.000 2.235 282 A HA 0.397 4.699 4.320 -0.030 0.000 0.208 282 A C 1.772 179.367 177.584 0.017 0.000 1.172 282 A CA 1.223 53.271 52.037 0.019 0.000 0.786 282 A CB -0.906 18.100 19.000 0.010 0.000 0.804 282 A HN 1.842 nan 8.150 nan 0.000 0.479 283 G N -1.375 107.437 108.800 0.020 0.000 2.141 283 G HA2 -0.203 3.740 3.960 -0.030 0.000 0.242 283 G HA3 -0.203 3.740 3.960 -0.030 0.000 0.242 283 G C 0.067 174.975 174.900 0.014 0.000 0.982 283 G CA 0.196 45.308 45.100 0.019 0.000 0.662 283 G HN 0.429 nan 8.290 nan 0.000 0.527 284 L N 1.007 122.237 121.223 0.011 0.000 2.397 284 L HA 0.383 4.705 4.340 -0.030 0.000 0.271 284 L C -1.650 175.228 176.870 0.013 0.000 1.148 284 L CA -1.942 52.901 54.840 0.006 0.000 0.825 284 L CB 0.550 42.608 42.059 -0.002 0.000 1.117 284 L HN -0.092 nan 8.230 nan 0.000 0.456 285 P HA 0.079 nan 4.420 nan 0.000 0.271 285 P C 0.075 177.385 177.300 0.017 0.000 1.226 285 P CA -0.374 62.734 63.100 0.014 0.000 0.765 285 P CB 0.771 32.477 31.700 0.010 0.000 0.835 286 R N 5.363 125.878 120.500 0.024 0.000 2.112 286 R HA -0.240 4.082 4.340 -0.030 0.000 0.242 286 R C 1.907 178.221 176.300 0.024 0.000 1.137 286 R CA 2.556 58.674 56.100 0.031 0.000 0.944 286 R CB -1.496 28.824 30.300 0.034 0.000 0.857 286 R HN 0.501 nan 8.270 nan 0.000 0.435 287 A N -0.364 122.467 122.820 0.019 0.000 1.908 287 A HA -0.188 4.114 4.320 -0.030 0.000 0.218 287 A C 2.208 179.800 177.584 0.014 0.000 1.181 287 A CA 2.212 54.259 52.037 0.017 0.000 0.627 287 A CB -0.876 18.133 19.000 0.015 0.000 0.818 287 A HN 0.630 nan 8.150 nan 0.000 0.445 288 S N -0.490 115.217 115.700 0.011 0.000 2.406 288 S HA -0.077 4.376 4.470 -0.030 0.000 0.228 288 S C 1.980 176.584 174.600 0.006 0.000 1.020 288 S CA 1.263 59.469 58.200 0.009 0.000 0.965 288 S CB -0.478 62.726 63.200 0.006 0.000 0.798 288 S HN 0.453 nan 8.310 nan 0.000 0.488 289 S N 2.273 117.977 115.700 0.005 0.000 2.383 289 S HA 0.141 4.593 4.470 -0.030 0.000 0.227 289 S C 1.778 176.379 174.600 0.001 0.000 1.026 289 S CA 1.025 59.223 58.200 -0.003 0.000 0.981 289 S CB -0.516 62.683 63.200 -0.001 0.000 0.818 289 S HN 0.414 nan 8.310 nan 0.000 0.472 290 L N 1.345 122.575 121.223 0.012 0.000 2.093 290 L HA -0.077 4.245 4.340 -0.030 0.000 0.208 290 L C 2.531 179.409 176.870 0.013 0.000 1.085 290 L CA 1.152 56.000 54.840 0.014 0.000 0.755 290 L CB -0.420 41.651 42.059 0.020 0.000 0.904 290 L HN 0.277 nan 8.230 nan 0.000 0.435 291 K N 0.678 121.086 120.400 0.014 0.000 2.063 291 K HA -0.220 4.082 4.320 -0.030 0.000 0.208 291 K C 2.130 178.746 176.600 0.027 0.000 1.048 291 K CA 1.492 57.790 56.287 0.018 0.000 0.928 291 K CB -0.114 32.395 32.500 0.016 0.000 0.713 291 K HN 0.259 nan 8.250 nan 0.000 0.442 292 A N 1.399 124.233 122.820 0.024 0.000 1.933 292 A HA -0.130 4.173 4.320 -0.030 0.000 0.218 292 A C 2.121 179.742 177.584 0.061 0.000 1.175 292 A CA 1.336 53.395 52.037 0.037 0.000 0.628 292 A CB -0.618 18.384 19.000 0.005 0.000 0.814 292 A HN 0.359 nan 8.150 nan 0.000 0.444 293 L N -0.029 121.215 121.223 0.035 0.000 2.127 293 L HA -0.182 4.140 4.340 -0.030 0.000 0.211 293 L C 2.950 179.873 176.870 0.087 0.000 1.089 293 L CA 1.843 56.716 54.840 0.055 0.000 0.757 293 L CB -0.761 41.311 42.059 0.022 0.000 0.899 293 L HN 0.700 nan 8.230 nan 0.000 0.434 294 T N -4.913 109.675 114.554 0.056 0.000 3.023 294 T HA -0.096 4.237 4.350 -0.030 0.000 0.266 294 T C 1.638 176.370 174.700 0.054 0.000 1.093 294 T CA 1.212 63.337 62.100 0.040 0.000 1.129 294 T CB -0.356 68.520 68.868 0.014 0.000 0.899 294 T HN 0.446 nan 8.240 nan 0.000 0.491 295 T N -1.870 112.733 114.554 0.081 0.000 3.014 295 T HA 0.312 4.645 4.350 -0.030 0.000 0.250 295 T C 0.259 175.019 174.700 0.100 0.000 1.060 295 T CA -0.686 61.457 62.100 0.071 0.000 1.040 295 T CB -0.569 68.338 68.868 0.066 0.000 0.971 295 T HN 0.279 nan 8.240 nan 0.000 0.497 296 F N 4.461 124.412 119.950 0.001 0.000 2.504 296 F HA 0.384 4.894 4.527 -0.028 0.000 0.369 296 F C 1.427 177.231 175.800 0.007 0.000 1.082 296 F CA -0.332 57.670 58.000 0.004 0.000 1.216 296 F CB 1.252 40.252 39.000 0.001 0.000 1.108 296 F HN 0.163 nan 8.300 nan 0.000 0.554 297 T N 2.066 116.176 114.554 -0.741 0.000 3.069 297 T HA 0.547 4.879 4.350 -0.030 0.000 0.252 297 T C 0.703 175.008 174.700 -0.658 0.000 1.053 297 T CA 0.156 61.941 62.100 -0.525 0.000 0.964 297 T CB -0.685 68.016 68.868 -0.278 0.000 1.005 297 T HN 1.360 nan 8.240 nan 0.000 0.532 298 G N 0.926 108.917 108.800 -1.348 0.000 2.603 298 G HA2 0.063 4.005 3.960 -0.030 0.000 0.686 298 G HA3 0.063 4.005 3.960 -0.030 0.000 0.686 298 G C -1.144 173.567 174.900 -0.315 0.000 1.286 298 G CA -0.850 43.884 45.100 -0.610 0.000 0.871 298 G HN 0.487 nan 8.290 nan 0.000 0.568 299 L N 1.023 122.238 121.223 -0.013 0.000 2.352 299 L HA 0.554 4.876 4.340 -0.030 0.000 0.269 299 L C -1.793 175.098 176.870 0.036 0.000 1.034 299 L CA -2.127 52.755 54.840 0.070 0.000 0.806 299 L CB 1.874 44.046 42.059 0.188 0.000 1.244 299 L HN 0.388 nan 8.230 nan 0.000 0.447 300 P HA 0.076 nan 4.420 nan 0.000 0.269 300 P C -0.470 176.807 177.300 -0.039 0.000 1.209 300 P CA 0.264 63.267 63.100 -0.163 0.000 0.776 300 P CB 0.252 31.762 31.700 -0.316 0.000 0.876 301 H N -1.565 117.577 119.070 0.120 0.000 3.642 301 H HA -0.160 4.378 4.556 -0.030 0.000 0.185 301 H C -0.099 175.291 175.328 0.102 0.000 0.992 301 H CA 0.602 56.734 56.048 0.141 0.000 1.216 301 H CB -1.459 28.485 29.762 0.304 0.000 1.055 301 H HN 0.413 nan 8.280 nan 0.000 0.351 302 R N 0.239 120.844 120.500 0.176 0.000 2.369 302 R HA 0.260 4.583 4.340 -0.030 0.000 0.310 302 R C -0.169 176.261 176.300 0.218 0.000 1.141 302 R CA -0.607 55.594 56.100 0.169 0.000 1.116 302 R CB -0.621 29.775 30.300 0.160 0.000 1.135 302 R HN 0.221 nan 8.270 nan 0.000 0.529 303 F N 0.687 120.657 119.950 0.034 0.000 2.907 303 F HA -0.319 4.191 4.527 -0.028 0.000 0.244 303 F C -0.009 175.810 175.800 0.032 0.000 1.007 303 F CA 0.940 58.955 58.000 0.026 0.000 0.872 303 F CB -0.277 38.746 39.000 0.038 0.000 0.767 303 F HN 0.515 nan 8.300 nan 0.000 0.837 304 E N 1.073 121.253 120.200 -0.033 0.000 2.146 304 E HA 0.432 4.764 4.350 -0.030 0.000 0.282 304 E C -0.484 176.102 176.600 -0.024 0.000 0.989 304 E CA -0.724 55.676 56.400 0.000 0.000 0.799 304 E CB 1.103 30.795 29.700 -0.013 0.000 1.088 304 E HN 0.131 nan 8.360 nan 0.000 0.397 305 V N 6.538 126.459 119.914 0.012 0.000 2.403 305 V HA -0.033 4.070 4.120 -0.030 0.000 0.265 305 V C 1.268 177.397 176.094 0.060 0.000 1.034 305 V CA 0.125 62.451 62.300 0.043 0.000 1.036 305 V CB 0.437 32.300 31.823 0.065 0.000 1.032 305 V HN 0.705 nan 8.190 nan 0.000 0.478 306 V N 3.146 123.122 119.914 0.104 0.000 3.506 306 V HA 0.413 4.516 4.120 -0.030 0.000 0.263 306 V C 0.221 176.319 176.094 0.008 0.000 1.203 306 V CA 0.414 62.746 62.300 0.053 0.000 1.133 306 V CB 0.185 32.052 31.823 0.073 0.000 0.802 306 V HN 0.546 nan 8.190 nan 0.000 0.459 307 L N 0.541 121.810 121.223 0.077 0.000 2.611 307 L HA 0.626 4.948 4.340 -0.030 0.000 0.260 307 L C -1.219 175.777 176.870 0.210 0.000 0.924 307 L CA -0.400 54.470 54.840 0.050 0.000 0.901 307 L CB 2.151 44.115 42.059 -0.158 0.000 1.369 307 L HN 0.274 nan 8.230 nan 0.000 0.415 308 E N 3.361 123.662 120.200 0.168 0.000 2.267 308 E HA 0.516 4.848 4.350 -0.030 0.000 0.248 308 E C -1.777 174.960 176.600 0.227 0.000 0.899 308 E CA -0.484 56.036 56.400 0.200 0.000 0.764 308 E CB 0.714 30.494 29.700 0.133 0.000 1.227 308 E HN 0.725 nan 8.360 nan 0.000 0.421 309 H N 3.435 122.577 119.070 0.120 0.000 3.038 309 H HA 0.298 4.836 4.556 -0.030 0.000 0.362 309 H C -0.529 174.849 175.328 0.083 0.000 1.167 309 H CA -0.489 55.601 56.048 0.069 0.000 1.197 309 H CB 0.814 30.586 29.762 0.016 0.000 1.840 309 H HN 0.510 nan 8.280 nan 0.000 0.540 310 N N 2.907 121.358 118.700 -0.415 0.000 2.725 310 N HA -0.171 4.552 4.740 -0.030 0.000 0.249 310 N C 0.863 176.336 175.510 -0.063 0.000 1.103 310 N CA 1.936 54.825 53.050 -0.267 0.000 0.707 310 N CB -1.328 36.993 38.487 -0.276 0.000 1.043 310 N HN 1.259 nan 8.380 nan 0.000 0.553 311 G N -2.821 105.966 108.800 -0.022 0.000 2.136 311 G HA2 -0.261 3.682 3.960 -0.030 0.000 0.242 311 G HA3 -0.261 3.682 3.960 -0.030 0.000 0.242 311 G C -0.173 174.740 174.900 0.022 0.000 0.989 311 G CA 0.315 45.421 45.100 0.010 0.000 0.682 311 G HN 0.569 nan 8.290 nan 0.000 0.522 312 V N 0.500 120.447 119.914 0.056 0.000 2.588 312 V HA 0.595 4.697 4.120 -0.030 0.000 0.304 312 V C 0.366 176.501 176.094 0.068 0.000 1.042 312 V CA -1.058 61.245 62.300 0.006 0.000 0.877 312 V CB 1.755 33.559 31.823 -0.031 0.000 0.996 312 V HN 0.363 nan 8.190 nan 0.000 0.425 313 R N 3.290 123.773 120.500 -0.028 0.000 2.265 313 R HA 0.440 4.762 4.340 -0.030 0.000 0.319 313 R C -1.651 174.626 176.300 -0.039 0.000 1.006 313 R CA -0.337 55.796 56.100 0.056 0.000 0.880 313 R CB 1.333 31.661 30.300 0.047 0.000 1.077 313 R HN 0.612 nan 8.270 nan 0.000 0.454 314 W N 4.442 125.765 121.300 0.037 0.000 2.417 314 W HA 0.405 5.047 4.660 -0.030 0.000 0.315 314 W C -0.506 176.093 176.519 0.133 0.000 1.045 314 W CA -0.535 56.870 57.345 0.101 0.000 1.221 314 W CB 0.998 30.460 29.460 0.003 0.000 1.309 314 W HN 0.226 nan 8.180 nan 0.000 0.453 315 I N 3.938 124.669 120.570 0.269 0.000 2.418 315 I HA 0.111 4.264 4.170 -0.030 0.000 0.287 315 I C -0.261 175.742 176.117 -0.190 0.000 1.008 315 I CA -1.082 60.169 61.300 -0.082 0.000 1.104 315 I CB 1.394 39.078 38.000 -0.527 0.000 1.264 315 I HN 0.387 nan 8.210 nan 0.000 0.438 316 N N 4.549 123.195 118.700 -0.090 0.000 2.521 316 N HA 0.077 4.800 4.740 -0.030 0.000 0.236 316 N C -0.320 175.090 175.510 -0.166 0.000 1.067 316 N CA 0.078 53.002 53.050 -0.209 0.000 0.939 316 N CB 0.420 38.986 38.487 0.133 0.000 1.201 316 N HN 0.434 nan 8.380 nan 0.000 0.511 317 D N 1.438 121.692 120.400 -0.242 0.000 3.035 317 D HA 0.132 4.754 4.640 -0.030 0.000 0.290 317 D C 0.917 177.183 176.300 -0.056 0.000 1.360 317 D CA -0.078 53.874 54.000 -0.080 0.000 0.862 317 D CB 0.040 40.817 40.800 -0.038 0.000 1.078 317 D HN 0.388 nan 8.370 nan 0.000 0.487 318 S N 0.119 115.810 115.700 -0.015 0.000 2.440 318 S HA -0.159 4.293 4.470 -0.030 0.000 0.238 318 S C 1.886 176.483 174.600 -0.004 0.000 1.010 318 S CA 0.862 59.071 58.200 0.015 0.000 0.972 318 S CB -0.056 63.182 63.200 0.063 0.000 0.774 318 S HN 0.082 nan 8.310 nan 0.000 0.501 319 K N 2.030 122.392 120.400 -0.064 0.000 2.442 319 K HA 0.214 4.517 4.320 -0.030 0.000 0.198 319 K C 0.502 176.905 176.600 -0.328 0.000 1.042 319 K CA 0.462 56.448 56.287 -0.500 0.000 0.958 319 K CB -0.938 31.355 32.500 -0.346 0.000 0.766 319 K HN 0.354 nan 8.250 nan 0.000 0.474 320 A N 1.525 124.255 122.820 -0.149 0.000 2.785 320 A HA 0.101 4.404 4.320 -0.030 0.000 0.294 320 A C 0.776 178.305 177.584 -0.092 0.000 1.597 320 A CA 0.252 52.226 52.037 -0.105 0.000 1.283 320 A CB -0.695 18.270 19.000 -0.058 0.000 1.088 320 A HN 0.350 nan 8.150 nan 0.000 0.568 321 T N -1.211 113.276 114.554 -0.112 0.000 3.105 321 T HA 0.213 4.546 4.350 -0.030 0.000 0.253 321 T C 0.271 174.940 174.700 -0.051 0.000 1.047 321 T CA 0.113 62.174 62.100 -0.066 0.000 0.944 321 T CB -0.651 68.174 68.868 -0.071 0.000 1.016 321 T HN 0.744 nan 8.240 nan 0.000 0.544 322 N N -1.093 117.578 118.700 -0.048 0.000 2.647 322 N HA 0.412 5.134 4.740 -0.030 0.000 0.266 322 N C 0.506 176.018 175.510 0.004 0.000 1.373 322 N CA -1.002 52.028 53.050 -0.034 0.000 0.807 322 N CB 1.142 39.580 38.487 -0.082 0.000 1.513 322 N HN -0.190 nan 8.380 nan 0.000 0.505 323 V N 0.158 120.092 119.914 0.033 0.000 2.343 323 V HA -0.086 4.016 4.120 -0.030 0.000 0.247 323 V C 2.295 178.402 176.094 0.022 0.000 1.051 323 V CA 2.532 64.871 62.300 0.066 0.000 1.036 323 V CB -1.278 30.598 31.823 0.089 0.000 0.654 323 V HN 0.908 nan 8.190 nan 0.000 0.451 324 G N -1.307 107.496 108.800 0.006 0.000 2.442 324 G HA2 -0.302 3.640 3.960 -0.030 0.000 0.219 324 G HA3 -0.302 3.640 3.960 -0.030 0.000 0.219 324 G C 1.925 176.793 174.900 -0.053 0.000 1.141 324 G CA 1.322 46.417 45.100 -0.008 0.000 0.763 324 G HN 0.499 nan 8.290 nan 0.000 0.554 325 S N -0.288 115.378 115.700 -0.057 0.000 2.371 325 S HA -0.079 4.373 4.470 -0.030 0.000 0.224 325 S C 2.539 177.073 174.600 -0.110 0.000 1.029 325 S CA 1.951 60.096 58.200 -0.091 0.000 0.978 325 S CB -0.468 62.689 63.200 -0.073 0.000 0.833 325 S HN 0.364 nan 8.310 nan 0.000 0.466 326 T N 2.127 116.634 114.554 -0.078 0.000 2.788 326 T HA -0.049 4.283 4.350 -0.030 0.000 0.268 326 T C 1.642 176.241 174.700 -0.169 0.000 1.044 326 T CA 1.254 63.301 62.100 -0.089 0.000 1.139 326 T CB -0.343 68.495 68.868 -0.050 0.000 0.867 326 T HN 0.499 nan 8.240 nan 0.000 0.454 327 E N 0.966 121.066 120.200 -0.167 0.000 2.070 327 E HA -0.162 4.170 4.350 -0.030 0.000 0.197 327 E C 2.557 178.940 176.600 -0.362 0.000 1.004 327 E CA 1.185 57.408 56.400 -0.295 0.000 0.805 327 E CB -0.224 29.425 29.700 -0.086 0.000 0.744 327 E HN 0.503 nan 8.360 nan 0.000 0.451 328 A N 1.176 123.823 122.820 -0.288 0.000 1.972 328 A HA -0.086 4.216 4.320 -0.030 0.000 0.219 328 A C 2.322 179.647 177.584 -0.433 0.000 1.169 328 A CA 1.601 53.394 52.037 -0.408 0.000 0.635 328 A CB -0.410 18.235 19.000 -0.592 0.000 0.810 328 A HN 0.300 nan 8.150 nan 0.000 0.446 329 A N -0.409 122.229 122.820 -0.302 0.000 1.930 329 A HA 0.074 4.376 4.320 -0.030 0.000 0.217 329 A C 2.083 179.561 177.584 -0.176 0.000 1.175 329 A CA 1.363 53.294 52.037 -0.178 0.000 0.627 329 A CB -0.417 18.640 19.000 0.095 0.000 0.815 329 A HN 0.463 nan 8.150 nan 0.000 0.443 330 L N -0.727 120.323 121.223 -0.289 0.000 2.307 330 L HA 0.024 4.346 4.340 -0.030 0.000 0.211 330 L C 0.865 177.518 176.870 -0.361 0.000 1.099 330 L CA 0.109 54.747 54.840 -0.336 0.000 0.816 330 L CB -0.490 41.255 42.059 -0.524 0.000 0.952 330 L HN 0.362 nan 8.230 nan 0.000 0.455 331 N N 0.934 119.369 118.700 -0.441 0.000 2.431 331 N HA 0.192 4.914 4.740 -0.030 0.000 0.265 331 N C 0.924 176.412 175.510 -0.036 0.000 1.184 331 N CA 1.001 53.950 53.050 -0.170 0.000 0.943 331 N CB 0.676 39.106 38.487 -0.095 0.000 1.080 331 N HN 0.301 nan 8.380 nan 0.000 0.477 332 G N 2.451 111.282 108.800 0.052 0.000 2.148 332 G HA2 -0.287 3.655 3.960 -0.030 0.000 0.254 332 G HA3 -0.287 3.655 3.960 -0.030 0.000 0.254 332 G C 0.018 174.944 174.900 0.044 0.000 0.981 332 G CA 0.260 45.391 45.100 0.051 0.000 0.670 332 G HN 0.660 nan 8.290 nan 0.000 0.528 333 L N 1.315 122.553 121.223 0.025 0.000 2.499 333 L HA 0.571 4.893 4.340 -0.030 0.000 0.273 333 L C 0.481 177.411 176.870 0.101 0.000 1.195 333 L CA -0.570 54.296 54.840 0.044 0.000 0.882 333 L CB 0.317 42.396 42.059 0.034 0.000 1.133 333 L HN 0.374 nan 8.230 nan 0.000 0.483 334 H N 4.167 123.258 119.070 0.036 0.000 2.519 334 H HA 0.647 5.186 4.556 -0.030 0.000 0.316 334 H C -1.350 174.006 175.328 0.047 0.000 1.065 334 H CA -0.614 55.457 56.048 0.038 0.000 1.264 334 H CB 1.001 30.783 29.762 0.034 0.000 1.413 334 H HN 0.418 nan 8.280 nan 0.000 0.465 335 V N 5.886 125.471 119.914 -0.549 0.000 2.588 335 V HA 0.116 4.218 4.120 -0.030 0.000 0.304 335 V C 0.326 176.119 176.094 -0.501 0.000 1.042 335 V CA -0.722 61.324 62.300 -0.424 0.000 0.877 335 V CB 2.011 33.726 31.823 -0.180 0.000 0.996 335 V HN 0.900 nan 8.190 nan 0.000 0.425 336 D N 2.921 123.114 120.400 -0.344 0.000 2.137 336 D HA 0.028 4.651 4.640 -0.030 0.000 0.202 336 D C 1.270 177.514 176.300 -0.093 0.000 0.970 336 D CA 1.607 55.507 54.000 -0.167 0.000 0.837 336 D CB 0.546 41.323 40.800 -0.039 0.000 0.981 336 D HN 0.708 nan 8.370 nan 0.000 0.475 337 G N -0.139 108.609 108.800 -0.086 0.000 3.441 337 G HA2 0.220 4.162 3.960 -0.030 0.000 0.195 337 G HA3 0.220 4.162 3.960 -0.030 0.000 0.195 337 G C -0.190 174.658 174.900 -0.088 0.000 1.633 337 G CA -0.064 45.000 45.100 -0.059 0.000 0.895 337 G HN 0.011 nan 8.290 nan 0.000 0.654 338 T N 0.863 115.356 114.554 -0.101 0.000 2.837 338 T HA 0.456 4.788 4.350 -0.030 0.000 0.285 338 T C -0.762 173.772 174.700 -0.277 0.000 0.984 338 T CA -0.188 61.785 62.100 -0.212 0.000 1.049 338 T CB 1.726 70.419 68.868 -0.292 0.000 0.947 338 T HN 0.311 nan 8.240 nan 0.000 0.472 339 L N 4.823 125.889 121.223 -0.262 0.000 2.260 339 L HA 0.308 4.631 4.340 -0.030 0.000 0.289 339 L C -0.436 176.287 176.870 -0.244 0.000 1.057 339 L CA -0.192 54.540 54.840 -0.180 0.000 0.811 339 L CB 0.052 42.061 42.059 -0.084 0.000 1.184 339 L HN 0.624 nan 8.230 nan 0.000 0.429 340 H N 6.481 125.576 119.070 0.041 0.000 2.641 340 H HA 0.310 4.848 4.556 -0.029 0.000 0.295 340 H C -0.886 174.548 175.328 0.177 0.000 1.070 340 H CA -0.716 55.456 56.048 0.206 0.000 1.257 340 H CB 1.556 31.358 29.762 0.067 0.000 1.393 340 H HN 0.451 nan 8.280 nan 0.000 0.464 341 L N 4.931 126.335 121.223 0.303 0.000 2.287 341 L HA 0.308 4.630 4.340 -0.030 0.000 0.287 341 L C -1.056 175.973 176.870 0.266 0.000 1.022 341 L CA -0.540 54.410 54.840 0.183 0.000 0.814 341 L CB 0.899 43.004 42.059 0.076 0.000 1.217 341 L HN 0.405 nan 8.230 nan 0.000 0.420 342 L N 6.537 127.896 121.223 0.226 0.000 2.265 342 L HA 0.511 4.833 4.340 -0.030 0.000 0.288 342 L C -0.624 176.367 176.870 0.201 0.000 1.058 342 L CA 0.097 55.123 54.840 0.309 0.000 0.809 342 L CB 0.960 43.215 42.059 0.327 0.000 1.179 342 L HN 0.524 nan 8.230 nan 0.000 0.429 343 L N 3.237 124.533 121.223 0.122 0.000 2.381 343 L HA 1.003 5.326 4.340 -0.030 0.000 0.268 343 L C 0.183 176.754 176.870 -0.500 0.000 0.997 343 L CA -0.587 54.168 54.840 -0.141 0.000 0.818 343 L CB 2.114 44.056 42.059 -0.195 0.000 1.310 343 L HN 0.718 nan 8.230 nan 0.000 0.416 344 G N 0.497 108.883 108.800 -0.690 0.000 2.339 344 G HA2 0.516 4.459 3.960 -0.030 0.000 0.302 344 G HA3 0.516 4.459 3.960 -0.030 0.000 0.302 344 G C -0.692 173.789 174.900 -0.698 0.000 1.425 344 G CA 0.286 44.755 45.100 -1.052 0.000 0.899 344 G HN 1.121 nan 8.290 nan 0.000 0.619 345 G N -0.247 108.308 108.800 -0.409 0.000 2.297 345 G HA2 0.424 4.367 3.960 -0.030 0.000 0.209 345 G HA3 0.424 4.367 3.960 -0.030 0.000 0.209 345 G C -1.282 173.621 174.900 0.006 0.000 1.267 345 G CA 0.611 45.671 45.100 -0.066 0.000 1.127 345 G HN 1.666 nan 8.290 nan 0.000 0.498 346 D N 0.903 121.342 120.400 0.065 0.000 2.428 346 D HA 0.528 5.150 4.640 -0.030 0.000 0.221 346 D C 1.432 177.788 176.300 0.094 0.000 1.123 346 D CA 0.671 54.717 54.000 0.076 0.000 0.869 346 D CB 0.585 41.429 40.800 0.073 0.000 1.032 346 D HN 0.922 nan 8.370 nan 0.000 0.506 347 G N 2.954 111.846 108.800 0.154 0.000 2.848 347 G HA2 -0.135 3.807 3.960 -0.030 0.000 0.208 347 G HA3 -0.135 3.807 3.960 -0.030 0.000 0.208 347 G C 0.603 175.486 174.900 -0.030 0.000 1.152 347 G CA -0.195 45.016 45.100 0.186 0.000 0.789 347 G HN 0.718 nan 8.290 nan 0.000 0.531 348 K N -0.509 119.880 120.400 -0.018 0.000 3.071 348 K HA -0.213 4.089 4.320 -0.030 0.000 0.265 348 K C 0.986 177.528 176.600 -0.097 0.000 1.060 348 K CA 0.382 56.644 56.287 -0.043 0.000 0.767 348 K CB -1.834 30.637 32.500 -0.049 0.000 1.241 348 K HN 0.268 nan 8.250 nan 0.000 0.486 349 S N -3.039 112.587 115.700 -0.123 0.000 3.476 349 S HA -0.269 4.184 4.470 -0.030 0.000 0.309 349 S C 0.456 174.900 174.600 -0.260 0.000 1.222 349 S CA 0.833 58.936 58.200 -0.161 0.000 0.922 349 S CB -1.105 62.038 63.200 -0.095 0.000 1.023 349 S HN 0.813 nan 8.310 nan 0.000 0.591 350 A N 1.202 123.783 122.820 -0.399 0.000 2.445 350 A HA 0.417 4.719 4.320 -0.030 0.000 0.242 350 A C 0.333 177.548 177.584 -0.614 0.000 1.075 350 A CA -0.027 51.730 52.037 -0.467 0.000 0.777 350 A CB 0.234 18.955 19.000 -0.465 0.000 1.013 350 A HN 0.317 nan 8.150 nan 0.000 0.493 351 D N 1.335 121.523 120.400 -0.353 0.000 2.338 351 D HA 0.210 4.832 4.640 -0.030 0.000 0.255 351 D C -0.029 176.155 176.300 -0.193 0.000 1.237 351 D CA -0.027 53.824 54.000 -0.247 0.000 0.883 351 D CB -0.111 40.624 40.800 -0.109 0.000 1.087 351 D HN 0.321 nan 8.370 nan 0.000 0.485 352 F N 1.434 121.376 119.950 -0.015 0.000 2.780 352 F HA -0.044 4.465 4.527 -0.030 0.000 0.299 352 F C 2.595 178.396 175.800 0.002 0.000 1.146 352 F CA 0.245 58.238 58.000 -0.011 0.000 1.428 352 F CB -0.529 38.460 39.000 -0.019 0.000 1.115 352 F HN 0.380 nan 8.300 nan 0.000 0.583 353 S N 0.168 115.954 115.700 0.143 0.000 2.419 353 S HA -0.118 4.334 4.470 -0.030 0.000 0.235 353 S C -0.526 174.121 174.600 0.077 0.000 1.019 353 S CA 0.698 58.953 58.200 0.091 0.000 0.982 353 S CB -1.578 61.649 63.200 0.046 0.000 0.789 353 S HN 0.177 nan 8.310 nan 0.000 0.490 354 P HA 0.062 nan 4.420 nan 0.000 0.225 354 P C 1.195 178.587 177.300 0.154 0.000 1.148 354 P CA 0.713 63.868 63.100 0.092 0.000 0.779 354 P CB -0.163 31.598 31.700 0.101 0.000 0.780 355 L N -1.548 119.781 121.223 0.177 0.000 2.240 355 L HA -0.034 4.288 4.340 -0.030 0.000 0.211 355 L C 2.357 179.337 176.870 0.184 0.000 1.106 355 L CA 0.899 55.885 54.840 0.243 0.000 0.793 355 L CB -0.991 41.159 42.059 0.152 0.000 0.927 355 L HN -0.044 nan 8.230 nan 0.000 0.446 356 A N 1.543 124.409 122.820 0.076 0.000 1.940 356 A HA -0.237 4.065 4.320 -0.030 0.000 0.219 356 A C 2.336 179.898 177.584 -0.037 0.000 1.176 356 A CA 1.840 53.890 52.037 0.021 0.000 0.631 356 A CB -0.597 18.407 19.000 0.005 0.000 0.814 356 A HN 0.571 nan 8.150 nan 0.000 0.446 357 R N -2.101 118.311 120.500 -0.147 0.000 2.293 357 R HA -0.102 4.221 4.340 -0.030 0.000 0.219 357 R C 0.832 176.918 176.300 -0.357 0.000 1.091 357 R CA 1.601 57.525 56.100 -0.294 0.000 1.004 357 R CB -0.514 29.530 30.300 -0.426 0.000 0.865 357 R HN 0.533 nan 8.270 nan 0.000 0.469 358 Y N 0.309 120.605 120.300 -0.007 0.000 2.458 358 Y HA 0.306 4.838 4.550 -0.031 0.000 0.256 358 Y C 1.138 177.029 175.900 -0.016 0.000 1.159 358 Y CA -0.150 57.945 58.100 -0.009 0.000 1.261 358 Y CB 0.674 39.130 38.460 -0.006 0.000 1.119 358 Y HN -0.045 nan 8.280 nan 0.000 0.524 359 L N -0.002 121.269 121.223 0.080 0.000 2.818 359 L HA 0.225 4.547 4.340 -0.030 0.000 0.243 359 L C -0.041 176.830 176.870 0.001 0.000 1.185 359 L CA -0.172 54.691 54.840 0.039 0.000 0.988 359 L CB -0.206 41.868 42.059 0.025 0.000 1.292 359 L HN 0.084 nan 8.230 nan 0.000 0.519 360 N N 0.907 119.605 118.700 -0.005 0.000 2.447 360 N HA 0.589 5.311 4.740 -0.030 0.000 0.271 360 N C 0.547 176.048 175.510 -0.014 0.000 1.226 360 N CA 0.645 53.685 53.050 -0.017 0.000 0.980 360 N CB 1.165 39.637 38.487 -0.024 0.000 1.206 360 N HN 0.146 nan 8.380 nan 0.000 0.558 361 G N -0.010 108.779 108.800 -0.017 0.000 2.757 361 G HA2 -0.189 3.753 3.960 -0.030 0.000 0.638 361 G HA3 -0.189 3.753 3.960 -0.030 0.000 0.638 361 G C -0.631 174.255 174.900 -0.024 0.000 1.344 361 G CA -0.413 44.677 45.100 -0.017 0.000 0.855 361 G HN 0.536 nan 8.290 nan 0.000 0.537 362 D N 0.400 120.785 120.400 -0.024 0.000 2.339 362 D HA 0.078 4.700 4.640 -0.030 0.000 0.217 362 D C 1.272 177.547 176.300 -0.042 0.000 1.050 362 D CA 0.169 54.152 54.000 -0.028 0.000 0.856 362 D CB 0.129 40.917 40.800 -0.019 0.000 0.922 362 D HN 0.328 nan 8.370 nan 0.000 0.518 363 N N 0.424 119.094 118.700 -0.050 0.000 2.328 363 N HA 0.092 4.815 4.740 -0.030 0.000 0.247 363 N C -0.645 174.802 175.510 -0.106 0.000 1.165 363 N CA 0.071 53.077 53.050 -0.075 0.000 0.873 363 N CB 2.185 40.634 38.487 -0.064 0.000 1.125 363 N HN -0.074 nan 8.380 nan 0.000 0.513 364 V N 1.367 121.222 119.914 -0.097 0.000 2.638 364 V HA 0.468 4.570 4.120 -0.030 0.000 0.306 364 V C -0.318 175.700 176.094 -0.126 0.000 1.052 364 V CA -0.782 61.454 62.300 -0.107 0.000 0.885 364 V CB 2.618 34.405 31.823 -0.059 0.000 0.999 364 V HN 0.009 nan 8.190 nan 0.000 0.424 365 R N 4.411 124.821 120.500 -0.151 0.000 2.621 365 R HA 0.696 5.018 4.340 -0.030 0.000 0.292 365 R C -1.333 174.810 176.300 -0.261 0.000 0.969 365 R CA -0.657 55.322 56.100 -0.202 0.000 0.887 365 R CB 2.323 32.557 30.300 -0.110 0.000 1.180 365 R HN 0.592 nan 8.270 nan 0.000 0.450 366 L N 3.150 124.123 121.223 -0.418 0.000 2.317 366 L HA 0.548 4.870 4.340 -0.030 0.000 0.281 366 L C -0.860 175.659 176.870 -0.585 0.000 1.024 366 L CA -0.935 53.716 54.840 -0.315 0.000 0.810 366 L CB 1.024 42.980 42.059 -0.172 0.000 1.240 366 L HN 0.463 nan 8.230 nan 0.000 0.427 367 Y N 1.163 121.516 120.300 0.089 0.000 2.332 367 Y HA 0.411 4.943 4.550 -0.030 0.000 0.326 367 Y C -0.390 175.621 175.900 0.185 0.000 0.978 367 Y CA -0.669 57.510 58.100 0.132 0.000 1.205 367 Y CB 1.810 40.363 38.460 0.154 0.000 1.131 367 Y HN 0.456 nan 8.280 nan 0.000 0.462 368 C N 5.296 124.735 119.300 0.232 0.000 2.369 368 C HA 0.801 5.243 4.460 -0.030 0.000 0.322 368 C C -0.405 174.691 174.990 0.177 0.000 1.258 368 C CA -1.091 57.985 59.018 0.096 0.000 1.487 368 C CB -0.861 26.856 27.740 -0.039 0.000 2.165 368 C HN 0.785 nan 8.230 nan 0.000 0.483 369 F N 0.620 120.600 119.950 0.049 0.000 2.726 369 F HA 0.956 5.466 4.527 -0.030 0.000 0.324 369 F C 0.404 176.241 175.800 0.061 0.000 1.140 369 F CA 0.053 58.093 58.000 0.066 0.000 0.964 369 F CB 0.513 39.574 39.000 0.102 0.000 1.399 369 F HN 1.130 nan 8.300 nan 0.000 0.491 370 G N 0.833 109.781 108.800 0.246 0.000 2.698 370 G HA2 -0.281 3.662 3.960 -0.030 0.000 0.233 370 G HA3 -0.281 3.662 3.960 -0.030 0.000 0.233 370 G C 0.560 175.479 174.900 0.033 0.000 1.352 370 G CA 0.312 45.493 45.100 0.135 0.000 0.879 370 G HN 1.233 nan 8.290 nan 0.000 0.567 371 R N -0.328 120.190 120.500 0.030 0.000 2.083 371 R HA -0.104 4.219 4.340 -0.030 0.000 0.237 371 R C 1.040 177.353 176.300 0.023 0.000 1.137 371 R CA 2.235 58.354 56.100 0.032 0.000 0.951 371 R CB -0.285 30.039 30.300 0.040 0.000 0.851 371 R HN 0.513 nan 8.270 nan 0.000 0.434 372 D N -0.918 119.486 120.400 0.006 0.000 2.427 372 D HA 0.125 4.747 4.640 -0.030 0.000 0.224 372 D C 1.056 177.324 176.300 -0.054 0.000 1.157 372 D CA 0.212 54.233 54.000 0.034 0.000 0.828 372 D CB 0.717 41.616 40.800 0.165 0.000 0.974 372 D HN 0.431 nan 8.370 nan 0.000 0.498 373 G N 1.085 109.839 108.800 -0.077 0.000 2.442 373 G HA2 -0.273 3.670 3.960 -0.030 0.000 0.219 373 G HA3 -0.273 3.670 3.960 -0.030 0.000 0.219 373 G C 1.618 176.480 174.900 -0.064 0.000 1.141 373 G CA 0.993 46.033 45.100 -0.099 0.000 0.763 373 G HN 0.383 nan 8.290 nan 0.000 0.554 374 A N 0.285 123.093 122.820 -0.021 0.000 1.898 374 A HA -0.028 4.274 4.320 -0.030 0.000 0.216 374 A C 2.334 179.912 177.584 -0.010 0.000 1.181 374 A CA 1.797 53.829 52.037 -0.007 0.000 0.620 374 A CB -0.385 18.622 19.000 0.011 0.000 0.819 374 A HN 0.448 nan 8.150 nan 0.000 0.442 375 Q N -0.452 119.356 119.800 0.015 0.000 2.124 375 Q HA -0.099 4.224 4.340 -0.030 0.000 0.202 375 Q C 2.031 178.019 176.000 -0.020 0.000 0.977 375 Q CA 1.412 57.255 55.803 0.067 0.000 0.850 375 Q CB -0.323 28.549 28.738 0.224 0.000 0.901 375 Q HN 0.674 nan 8.270 nan 0.000 0.429 376 L N -0.037 121.075 121.223 -0.185 0.000 2.072 376 L HA -0.123 4.199 4.340 -0.030 0.000 0.205 376 L C 2.508 179.279 176.870 -0.165 0.000 1.079 376 L CA 0.896 55.540 54.840 -0.327 0.000 0.752 376 L CB -0.557 41.221 42.059 -0.468 0.000 0.906 376 L HN 0.182 nan 8.230 nan 0.000 0.436 377 A N 0.130 122.885 122.820 -0.110 0.000 1.978 377 A HA -0.182 4.120 4.320 -0.030 0.000 0.220 377 A C 2.449 180.001 177.584 -0.052 0.000 1.170 377 A CA 1.664 53.657 52.037 -0.073 0.000 0.636 377 A CB -0.687 18.285 19.000 -0.047 0.000 0.810 377 A HN 0.404 nan 8.150 nan 0.000 0.448 378 A N -0.438 122.361 122.820 -0.033 0.000 2.121 378 A HA 0.079 4.382 4.320 -0.030 0.000 0.218 378 A C 1.992 179.571 177.584 -0.009 0.000 1.154 378 A CA 1.075 53.105 52.037 -0.012 0.000 0.679 378 A CB -0.558 18.447 19.000 0.009 0.000 0.795 378 A HN 0.500 nan 8.150 nan 0.000 0.458 379 L N -1.761 119.451 121.223 -0.018 0.000 2.079 379 L HA -0.094 4.228 4.340 -0.030 0.000 0.210 379 L C 1.713 178.573 176.870 -0.017 0.000 1.081 379 L CA 1.359 56.194 54.840 -0.009 0.000 0.752 379 L CB -0.095 41.952 42.059 -0.020 0.000 0.896 379 L HN 0.439 nan 8.230 nan 0.000 0.433 380 R N -1.225 119.256 120.500 -0.032 0.000 3.101 380 R HA 0.157 4.480 4.340 -0.030 0.000 0.242 380 R C -2.266 174.008 176.300 -0.044 0.000 1.831 380 R CA -0.984 55.095 56.100 -0.034 0.000 1.321 380 R CB 1.025 31.303 30.300 -0.036 0.000 1.512 380 R HN -0.182 nan 8.270 nan 0.000 0.568 381 P HA -0.129 nan 4.420 nan 0.000 0.218 381 P C 0.207 177.483 177.300 -0.040 0.000 1.149 381 P CA 1.128 64.207 63.100 -0.036 0.000 0.817 381 P CB 0.413 32.100 31.700 -0.022 0.000 0.785 382 E N -0.491 119.687 120.200 -0.036 0.000 2.265 382 E HA -0.097 4.235 4.350 -0.030 0.000 0.196 382 E C 1.499 178.070 176.600 -0.049 0.000 0.996 382 E CA 1.032 57.411 56.400 -0.035 0.000 0.832 382 E CB -0.909 28.775 29.700 -0.027 0.000 0.756 382 E HN 0.280 nan 8.360 nan 0.000 0.491 383 V N -3.171 116.702 119.914 -0.068 0.000 3.276 383 V HA 0.620 4.722 4.120 -0.030 0.000 0.319 383 V C 0.464 176.462 176.094 -0.160 0.000 1.427 383 V CA -0.259 61.981 62.300 -0.099 0.000 1.102 383 V CB -0.098 31.669 31.823 -0.094 0.000 1.020 383 V HN 0.116 nan 8.190 nan 0.000 0.456 384 A N 0.418 123.158 122.820 -0.134 0.000 2.325 384 A HA 0.864 5.166 4.320 -0.030 0.000 0.333 384 A C -0.226 177.277 177.584 -0.136 0.000 1.155 384 A CA -0.575 51.363 52.037 -0.165 0.000 0.814 384 A CB 1.160 20.094 19.000 -0.110 0.000 1.206 384 A HN 0.476 nan 8.150 nan 0.000 0.482 385 E N 0.669 120.775 120.200 -0.156 0.000 2.266 385 E HA 0.353 4.686 4.350 -0.030 0.000 0.268 385 E C -1.268 175.354 176.600 0.037 0.000 0.879 385 E CA -0.565 55.816 56.400 -0.031 0.000 0.762 385 E CB 2.488 32.207 29.700 0.031 0.000 1.199 385 E HN 0.695 nan 8.360 nan 0.000 0.422 386 Q N 1.480 121.316 119.800 0.060 0.000 2.337 386 Q HA 0.452 4.774 4.340 -0.030 0.000 0.266 386 Q C -1.043 175.026 176.000 0.115 0.000 1.023 386 Q CA -0.401 55.454 55.803 0.086 0.000 0.829 386 Q CB 1.693 30.461 28.738 0.049 0.000 1.306 386 Q HN 0.709 nan 8.270 nan 0.000 0.449 387 T N -0.770 113.881 114.554 0.161 0.000 2.864 387 T HA 0.278 4.611 4.350 -0.030 0.000 0.289 387 T C 0.518 175.317 174.700 0.165 0.000 1.082 387 T CA -0.696 61.492 62.100 0.147 0.000 1.009 387 T CB 1.454 70.413 68.868 0.152 0.000 1.234 387 T HN 0.599 nan 8.240 nan 0.000 0.526 388 E N 0.989 121.262 120.200 0.122 0.000 2.046 388 E HA 0.069 4.401 4.350 -0.030 0.000 0.190 388 E C 0.951 177.656 176.600 0.175 0.000 0.982 388 E CA 1.529 58.001 56.400 0.119 0.000 0.800 388 E CB -0.230 29.508 29.700 0.064 0.000 0.756 388 E HN 0.922 nan 8.360 nan 0.000 0.449 389 T N -3.232 111.392 114.554 0.116 0.000 2.930 389 T HA 0.276 4.609 4.350 -0.030 0.000 0.290 389 T C 1.038 175.634 174.700 -0.172 0.000 1.052 389 T CA -0.526 61.599 62.100 0.042 0.000 1.017 389 T CB 1.096 69.945 68.868 -0.033 0.000 1.137 389 T HN 0.111 nan 8.240 nan 0.000 0.511 390 M N 0.304 119.577 119.600 -0.544 0.000 2.159 390 M HA -0.056 4.407 4.480 -0.030 0.000 0.263 390 M C 2.223 178.345 176.300 -0.296 0.000 1.063 390 M CA 1.958 56.720 55.300 -0.896 0.000 1.110 390 M CB -0.345 31.797 32.600 -0.762 0.000 1.374 390 M HN 0.963 nan 8.290 nan 0.000 0.411 391 E N -0.139 119.977 120.200 -0.140 0.000 2.077 391 E HA -0.262 4.071 4.350 -0.030 0.000 0.193 391 E C 1.886 178.449 176.600 -0.062 0.000 0.989 391 E CA 1.586 57.941 56.400 -0.074 0.000 0.800 391 E CB -0.079 29.594 29.700 -0.046 0.000 0.746 391 E HN 0.657 nan 8.360 nan 0.000 0.452 392 Q N -0.029 119.743 119.800 -0.048 0.000 2.096 392 Q HA -0.174 4.149 4.340 -0.030 0.000 0.204 392 Q C 2.210 178.211 176.000 0.003 0.000 0.982 392 Q CA 1.564 57.360 55.803 -0.011 0.000 0.850 392 Q CB -0.191 28.557 28.738 0.018 0.000 0.901 392 Q HN 0.377 nan 8.270 nan 0.000 0.422 393 A N 0.578 123.397 122.820 -0.002 0.000 1.933 393 A HA -0.185 4.117 4.320 -0.030 0.000 0.218 393 A C 2.032 179.580 177.584 -0.061 0.000 1.175 393 A CA 1.389 53.456 52.037 0.049 0.000 0.628 393 A CB -0.453 18.619 19.000 0.120 0.000 0.814 393 A HN 0.299 nan 8.150 nan 0.000 0.444 394 M N -1.151 118.408 119.600 -0.067 0.000 2.132 394 M HA -0.116 4.346 4.480 -0.030 0.000 0.263 394 M C 2.288 178.545 176.300 -0.072 0.000 1.065 394 M CA 1.373 56.635 55.300 -0.064 0.000 1.122 394 M CB -0.309 32.275 32.600 -0.025 0.000 1.365 394 M HN 0.329 nan 8.290 nan 0.000 0.411 395 R N -0.006 120.462 120.500 -0.055 0.000 2.189 395 R HA -0.080 4.242 4.340 -0.030 0.000 0.223 395 R C 2.062 178.341 176.300 -0.035 0.000 1.092 395 R CA 0.799 56.874 56.100 -0.042 0.000 0.989 395 R CB -0.328 29.953 30.300 -0.032 0.000 0.876 395 R HN 0.256 nan 8.270 nan 0.000 0.457 396 L N 1.125 122.328 121.223 -0.033 0.000 2.095 396 L HA -0.069 4.254 4.340 -0.030 0.000 0.204 396 L C 1.938 178.775 176.870 -0.054 0.000 1.080 396 L CA 1.395 56.239 54.840 0.006 0.000 0.759 396 L CB -0.208 41.905 42.059 0.090 0.000 0.914 396 L HN 0.112 nan 8.230 nan 0.000 0.439 397 L N -1.985 119.081 121.223 -0.261 0.000 2.179 397 L HA 0.291 4.614 4.340 -0.030 0.000 0.208 397 L C 2.448 179.129 176.870 -0.315 0.000 1.096 397 L CA 1.595 56.146 54.840 -0.483 0.000 0.779 397 L CB -1.746 39.585 42.059 -1.213 0.000 0.922 397 L HN 0.048 nan 8.230 nan 0.000 0.443 398 A N 1.013 123.730 122.820 -0.172 0.000 1.883 398 A HA -0.048 4.254 4.320 -0.030 0.000 0.217 398 A C 0.475 178.029 177.584 -0.049 0.000 1.186 398 A CA 1.925 53.930 52.037 -0.053 0.000 0.624 398 A CB -2.109 16.928 19.000 0.062 0.000 0.822 398 A HN 0.500 nan 8.150 nan 0.000 0.444 399 P HA -0.116 nan 4.420 nan 0.000 0.221 399 P C 1.028 178.325 177.300 -0.005 0.000 1.145 399 P CA 1.008 64.107 63.100 -0.002 0.000 0.795 399 P CB -0.084 31.622 31.700 0.010 0.000 0.775 400 R N -1.240 119.237 120.500 -0.038 0.000 2.297 400 R HA 0.133 4.456 4.340 -0.030 0.000 0.197 400 R C 0.189 176.472 176.300 -0.029 0.000 0.943 400 R CA -0.049 56.053 56.100 0.005 0.000 1.038 400 R CB -0.070 30.279 30.300 0.081 0.000 0.957 400 R HN 0.064 nan 8.270 nan 0.000 0.484 401 V N 2.710 122.534 119.914 -0.150 0.000 2.508 401 V HA 0.020 4.123 4.120 -0.030 0.000 0.281 401 V C 0.200 176.285 176.094 -0.015 0.000 1.041 401 V CA 0.247 62.446 62.300 -0.168 0.000 1.016 401 V CB 1.179 32.824 31.823 -0.296 0.000 0.984 401 V HN 0.159 nan 8.190 nan 0.000 0.478 402 Q N 5.187 125.009 119.800 0.037 0.000 2.351 402 Q HA 0.470 4.792 4.340 -0.030 0.000 0.273 402 Q C -2.590 173.424 176.000 0.022 0.000 1.077 402 Q CA -2.495 53.330 55.803 0.037 0.000 0.843 402 Q CB 1.527 30.294 28.738 0.048 0.000 1.367 402 Q HN 0.382 nan 8.270 nan 0.000 0.449 403 P HA 0.032 nan 4.420 nan 0.000 0.262 403 P C 0.586 177.891 177.300 0.009 0.000 1.182 403 P CA 1.294 64.403 63.100 0.013 0.000 0.761 403 P CB 0.256 31.966 31.700 0.016 0.000 0.795 404 G N 1.742 110.543 108.800 0.002 0.000 2.213 404 G HA2 -0.172 3.771 3.960 -0.030 0.000 0.226 404 G HA3 -0.172 3.771 3.960 -0.030 0.000 0.226 404 G C 0.081 174.965 174.900 -0.027 0.000 0.992 404 G CA -0.288 44.808 45.100 -0.006 0.000 0.632 404 G HN 0.490 nan 8.290 nan 0.000 0.511 405 D N 0.084 120.469 120.400 -0.025 0.000 2.411 405 D HA 0.641 5.264 4.640 -0.030 0.000 0.251 405 D C 0.586 176.841 176.300 -0.075 0.000 1.201 405 D CA 0.080 54.064 54.000 -0.028 0.000 0.996 405 D CB 0.898 41.734 40.800 0.060 0.000 1.101 405 D HN 0.361 nan 8.370 nan 0.000 0.504 406 M N 0.521 120.078 119.600 -0.071 0.000 2.393 406 M HA 0.425 4.887 4.480 -0.030 0.000 0.299 406 M C -1.933 174.295 176.300 -0.119 0.000 1.103 406 M CA -0.766 54.464 55.300 -0.116 0.000 0.910 406 M CB 1.824 34.388 32.600 -0.059 0.000 1.659 406 M HN -0.007 nan 8.290 nan 0.000 0.445 407 V N 5.457 125.202 119.914 -0.280 0.000 2.357 407 V HA 0.488 4.591 4.120 -0.030 0.000 0.284 407 V C -1.068 175.022 176.094 -0.006 0.000 1.018 407 V CA -0.712 61.463 62.300 -0.208 0.000 0.841 407 V CB 1.329 32.763 31.823 -0.649 0.000 0.991 407 V HN 0.722 nan 8.190 nan 0.000 0.437 408 L N 6.787 128.013 121.223 0.004 0.000 2.343 408 L HA 0.633 4.955 4.340 -0.030 0.000 0.278 408 L C -0.818 175.969 176.870 -0.138 0.000 0.996 408 L CA -0.517 54.264 54.840 -0.097 0.000 0.831 408 L CB 1.522 43.539 42.059 -0.069 0.000 1.232 408 L HN 0.629 nan 8.230 nan 0.000 0.413 409 L N 4.663 125.628 121.223 -0.431 0.000 2.282 409 L HA 0.579 4.902 4.340 -0.030 0.000 0.287 409 L C -0.214 176.501 176.870 -0.258 0.000 1.075 409 L CA 0.725 55.311 54.840 -0.423 0.000 0.839 409 L CB 0.790 42.254 42.059 -0.991 0.000 1.219 409 L HN 0.721 nan 8.230 nan 0.000 0.434 410 S N 6.583 122.219 115.700 -0.107 0.000 2.293 410 S HA 0.514 4.966 4.470 -0.030 0.000 0.154 410 S C -2.186 172.387 174.600 -0.045 0.000 1.602 410 S CA -0.753 57.407 58.200 -0.068 0.000 1.260 410 S CB 0.674 63.855 63.200 -0.032 0.000 1.270 410 S HN 0.587 nan 8.310 nan 0.000 0.416 411 P HA 0.276 nan 4.420 nan 0.000 0.251 411 P C 0.756 178.004 177.300 -0.086 0.000 1.223 411 P CA 0.824 63.893 63.100 -0.051 0.000 0.796 411 P CB 0.080 31.780 31.700 -0.001 0.000 1.068 412 A N -2.487 120.308 122.820 -0.041 0.000 2.979 412 A HA -0.199 4.104 4.320 -0.030 0.000 0.260 412 A C 0.398 178.029 177.584 0.079 0.000 1.282 412 A CA 1.025 53.071 52.037 0.015 0.000 0.971 412 A CB -2.575 16.441 19.000 0.026 0.000 1.124 412 A HN 0.384 nan 8.150 nan 0.000 0.826 413 C N -1.399 117.918 119.300 0.030 0.000 3.086 413 C HA 0.770 5.212 4.460 -0.030 0.000 0.311 413 C C 0.920 175.937 174.990 0.046 0.000 1.260 413 C CA -0.623 58.430 59.018 0.058 0.000 1.426 413 C CB 1.480 29.236 27.740 0.027 0.000 1.826 413 C HN 1.778 nan 8.230 nan 0.000 0.474 414 A N 1.296 124.154 122.820 0.063 0.000 2.466 414 A HA 0.429 4.732 4.320 -0.030 0.000 0.238 414 A C 1.156 178.825 177.584 0.141 0.000 1.074 414 A CA 0.670 52.767 52.037 0.101 0.000 0.774 414 A CB 0.154 19.218 19.000 0.107 0.000 1.015 414 A HN 1.568 nan 8.150 nan 0.000 0.498 415 S N 0.879 116.694 115.700 0.191 0.000 2.575 415 S HA 0.088 4.540 4.470 -0.030 0.000 0.215 415 S C 1.130 175.934 174.600 0.340 0.000 0.966 415 S CA 0.246 58.627 58.200 0.302 0.000 0.911 415 S CB -0.418 62.918 63.200 0.226 0.000 0.780 415 S HN 0.574 nan 8.310 nan 0.000 0.514 416 L N 2.199 123.548 121.223 0.211 0.000 2.465 416 L HA -0.012 4.311 4.340 -0.030 0.000 0.224 416 L C 2.302 179.243 176.870 0.118 0.000 1.145 416 L CA 1.050 55.985 54.840 0.158 0.000 0.834 416 L CB -0.586 41.540 42.059 0.113 0.000 0.944 416 L HN 0.445 nan 8.230 nan 0.000 0.451 417 D N -0.123 120.349 120.400 0.120 0.000 2.219 417 D HA -0.235 4.388 4.640 -0.030 0.000 0.205 417 D C 1.573 177.892 176.300 0.032 0.000 0.970 417 D CA 1.234 55.278 54.000 0.073 0.000 0.851 417 D CB 0.044 40.889 40.800 0.074 0.000 0.943 417 D HN 0.446 nan 8.370 nan 0.000 0.488 418 Q N -1.706 118.112 119.800 0.029 0.000 2.143 418 Q HA 0.250 4.572 4.340 -0.030 0.000 0.242 418 Q C -0.485 175.229 176.000 -0.477 0.000 0.790 418 Q CA -0.152 55.510 55.803 -0.234 0.000 0.954 418 Q CB 1.268 29.804 28.738 -0.336 0.000 1.155 418 Q HN 0.131 nan 8.270 nan 0.000 0.474 419 F N -0.486 119.500 119.950 0.061 0.000 2.620 419 F HA 0.337 4.847 4.527 -0.029 0.000 0.320 419 F C 1.013 176.826 175.800 0.022 0.000 1.069 419 F CA -1.056 56.968 58.000 0.040 0.000 0.953 419 F CB 1.370 40.400 39.000 0.049 0.000 1.322 419 F HN -0.331 nan 8.300 nan 0.000 0.479 420 K N 0.505 121.026 120.400 0.201 0.000 2.097 420 K HA -0.107 4.196 4.320 -0.030 0.000 0.206 420 K C -0.480 176.168 176.600 0.079 0.000 1.049 420 K CA 1.728 58.075 56.287 0.099 0.000 0.933 420 K CB -0.038 32.492 32.500 0.051 0.000 0.717 420 K HN 0.861 nan 8.250 nan 0.000 0.442 421 N N -2.799 115.942 118.700 0.069 0.000 3.501 421 N HA -0.026 4.696 4.740 -0.030 0.000 0.235 421 N C 0.222 175.656 175.510 -0.128 0.000 1.442 421 N CA -0.431 52.607 53.050 -0.020 0.000 0.872 421 N CB -0.227 38.170 38.487 -0.150 0.000 1.414 421 N HN -0.090 nan 8.380 nan 0.000 0.485 422 F N -1.293 118.598 119.950 -0.098 0.000 2.407 422 F HA 0.339 4.849 4.527 -0.028 0.000 0.299 422 F C 1.437 177.006 175.800 -0.386 0.000 1.097 422 F CA 0.645 58.520 58.000 -0.207 0.000 1.422 422 F CB -0.365 38.547 39.000 -0.147 0.000 1.067 422 F HN 0.505 nan 8.300 nan 0.000 0.539 423 E N 0.842 120.295 120.200 -1.244 0.000 2.077 423 E HA -0.239 4.093 4.350 -0.030 0.000 0.193 423 E C 2.256 178.564 176.600 -0.485 0.000 0.989 423 E CA 1.567 57.304 56.400 -1.104 0.000 0.800 423 E CB -0.435 28.811 29.700 -0.758 0.000 0.746 423 E HN 0.667 nan 8.360 nan 0.000 0.452 424 Q N 0.612 120.231 119.800 -0.302 0.000 2.084 424 Q HA -0.234 4.088 4.340 -0.030 0.000 0.202 424 Q C 2.310 178.212 176.000 -0.163 0.000 0.978 424 Q CA 1.599 57.342 55.803 -0.099 0.000 0.844 424 Q CB -0.027 28.744 28.738 0.054 0.000 0.898 424 Q HN 0.120 nan 8.270 nan 0.000 0.426 425 R N -0.579 119.624 120.500 -0.495 0.000 2.091 425 R HA -0.135 4.187 4.340 -0.030 0.000 0.238 425 R C 2.172 178.289 176.300 -0.305 0.000 1.136 425 R CA 1.665 57.215 56.100 -0.916 0.000 0.959 425 R CB -0.630 28.944 30.300 -1.211 0.000 0.856 425 R HN 0.389 nan 8.270 nan 0.000 0.437 426 G N 0.644 109.354 108.800 -0.151 0.000 2.418 426 G HA2 -0.259 3.683 3.960 -0.030 0.000 0.217 426 G HA3 -0.259 3.683 3.960 -0.030 0.000 0.217 426 G C 1.136 176.188 174.900 0.254 0.000 1.158 426 G CA 0.704 45.906 45.100 0.169 0.000 0.771 426 G HN 0.337 nan 8.290 nan 0.000 0.545 427 N N 0.809 119.617 118.700 0.181 0.000 2.120 427 N HA -0.060 4.662 4.740 -0.030 0.000 0.188 427 N C 2.120 177.679 175.510 0.081 0.000 1.024 427 N CA 1.077 54.210 53.050 0.138 0.000 0.852 427 N CB -0.309 38.236 38.487 0.096 0.000 1.003 427 N HN 0.510 nan 8.380 nan 0.000 0.424 428 E N -0.085 120.161 120.200 0.078 0.000 2.077 428 E HA -0.147 4.186 4.350 -0.030 0.000 0.193 428 E C 1.646 178.280 176.600 0.057 0.000 0.989 428 E CA 0.590 57.036 56.400 0.078 0.000 0.800 428 E CB -0.208 29.593 29.700 0.168 0.000 0.746 428 E HN 0.301 nan 8.360 nan 0.000 0.452 429 F N 1.462 121.394 119.950 -0.030 0.000 2.126 429 F HA -0.221 4.289 4.527 -0.029 0.000 0.299 429 F C 2.127 177.905 175.800 -0.036 0.000 1.096 429 F CA 1.531 59.517 58.000 -0.024 0.000 1.255 429 F CB -0.247 38.751 39.000 -0.003 0.000 0.997 429 F HN -0.049 nan 8.300 nan 0.000 0.479 430 A N 0.577 123.391 122.820 -0.009 0.000 1.898 430 A HA -0.177 4.125 4.320 -0.030 0.000 0.216 430 A C 2.351 179.783 177.584 -0.254 0.000 1.181 430 A CA 1.610 53.562 52.037 -0.141 0.000 0.620 430 A CB -0.884 18.121 19.000 0.009 0.000 0.819 430 A HN 0.486 nan 8.150 nan 0.000 0.442 431 R N -0.358 120.039 120.500 -0.171 0.000 2.083 431 R HA -0.097 4.225 4.340 -0.030 0.000 0.237 431 R C 1.948 178.090 176.300 -0.262 0.000 1.137 431 R CA 1.808 57.802 56.100 -0.176 0.000 0.951 431 R CB -0.423 29.817 30.300 -0.100 0.000 0.851 431 R HN 0.510 nan 8.270 nan 0.000 0.434 432 L N -0.033 121.016 121.223 -0.290 0.000 2.093 432 L HA -0.050 4.273 4.340 -0.030 0.000 0.208 432 L C 2.678 179.218 176.870 -0.550 0.000 1.085 432 L CA 1.050 55.692 54.840 -0.331 0.000 0.755 432 L CB -0.472 41.441 42.059 -0.242 0.000 0.904 432 L HN 0.330 nan 8.230 nan 0.000 0.435 433 A N 0.279 122.630 122.820 -0.782 0.000 1.933 433 A HA -0.214 4.088 4.320 -0.030 0.000 0.218 433 A C 2.323 179.254 177.584 -1.087 0.000 1.175 433 A CA 1.658 52.948 52.037 -1.244 0.000 0.628 433 A CB -0.298 18.040 19.000 -1.104 0.000 0.814 433 A HN 0.331 nan 8.150 nan 0.000 0.444 434 K N -0.657 119.347 120.400 -0.660 0.000 2.155 434 K HA -0.108 4.194 4.320 -0.030 0.000 0.203 434 K C 2.102 178.445 176.600 -0.429 0.000 1.052 434 K CA 1.190 57.175 56.287 -0.503 0.000 0.948 434 K CB -0.073 32.224 32.500 -0.339 0.000 0.728 434 K HN 0.715 nan 8.250 nan 0.000 0.448 435 E N 1.282 121.252 120.200 -0.383 0.000 2.047 435 E HA -0.160 4.172 4.350 -0.030 0.000 0.191 435 E C 1.740 178.158 176.600 -0.303 0.000 0.987 435 E CA 0.963 57.193 56.400 -0.284 0.000 0.799 435 E CB 0.099 29.665 29.700 -0.225 0.000 0.752 435 E HN 0.212 nan 8.360 nan 0.000 0.449 436 L N -0.516 120.462 121.223 -0.408 0.000 2.509 436 L HA 0.160 4.482 4.340 -0.030 0.000 0.222 436 L C 1.992 178.674 176.870 -0.312 0.000 1.123 436 L CA 0.525 55.179 54.840 -0.310 0.000 0.856 436 L CB 0.333 42.243 42.059 -0.249 0.000 0.985 436 L HN 0.176 nan 8.230 nan 0.000 0.456 437 G N -0.823 107.645 108.800 -0.553 0.000 3.393 437 G HA2 0.175 4.118 3.960 -0.030 0.000 0.255 437 G HA3 0.175 4.118 3.960 -0.030 0.000 0.255 437 G C 0.250 175.053 174.900 -0.162 0.000 1.097 437 G CA 0.282 45.157 45.100 -0.375 0.000 0.780 437 G HN 0.325 nan 8.290 nan 0.000 0.540 438 S N -0.956 114.609 115.700 -0.225 0.000 2.661 438 S HA 0.618 5.070 4.470 -0.030 0.000 0.285 438 S C -0.766 173.703 174.600 -0.219 0.000 1.138 438 S CA -0.974 57.119 58.200 -0.179 0.000 0.855 438 S CB 1.858 64.919 63.200 -0.232 0.000 1.136 438 S HN 0.155 nan 8.310 nan 0.000 0.484 439 H N 0.000 119.104 119.070 0.057 0.000 2.539 439 H HA 0.000 4.538 4.556 -0.029 0.000 0.296 439 H CA 0.000 56.061 56.048 0.022 0.000 1.023 439 H CB 0.000 29.784 29.762 0.036 0.000 1.292 439 H HN 0.000 nan 8.280 nan 0.000 0.496