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 2cfs_1_A DATA FIRST_RESID 1 DATA SEQUENCE MARCERLRGA ALRDVLGRAQ GVLFDCDGVL WNGERAVPGA PELLERLARA DATA SEQUENCE GKAALFVSNN SRRARPELAL RFARLGFGGL RAEQLFSSAL cAARLLRQRL DATA SEQUENCE PGPPDXXGAV FVLGGEGLRA ELRAAGLRLA GDPSAGDGAA PRVRAVLVGY DATA SEQUENCE DEHFSFAKLR EACAHLRDPE CLLVATDRDP WHPLSDGSRT PGTGSLAAAV DATA SEQUENCE ETASGRQALV VGKPSPYMFE cITENFSIDP ARTLMVGDRL ETDILFGHRC DATA SEQUENCE GMTTVLTLTG VSRLEEAQAY LAAGQHDLVP HYYVESIADL TEGLE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.192 176.300 -0.180 0.000 1.140 1 M CA 0.000 55.247 55.300 -0.088 0.000 0.988 1 M CB 0.000 32.479 32.600 -0.201 0.000 1.302 2 A N 1.444 124.050 122.820 -0.357 0.000 2.484 2 A HA 0.568 4.888 4.320 -0.000 0.000 0.268 2 A C 0.807 178.284 177.584 -0.179 0.000 1.114 2 A CA 0.644 52.403 52.037 -0.462 0.000 0.780 2 A CB -0.190 18.538 19.000 -0.454 0.000 1.061 2 A HN 0.985 nan 8.150 nan 0.000 0.505 3 R N 1.450 121.863 120.500 -0.145 0.000 2.662 3 R HA 0.418 4.758 4.340 -0.000 0.000 0.396 3 R C 0.634 176.936 176.300 0.003 0.000 1.096 3 R CA 0.469 56.542 56.100 -0.044 0.000 1.081 3 R CB -1.120 29.164 30.300 -0.027 0.000 1.382 3 R HN 1.894 nan 8.270 nan 0.000 0.580 4 C N 1.779 121.081 119.300 0.003 0.000 3.899 4 C HA -0.159 4.301 4.460 -0.000 0.000 0.297 4 C C 0.604 175.760 174.990 0.276 0.000 1.371 4 C CA 0.967 60.065 59.018 0.132 0.000 2.088 4 C CB -2.246 25.552 27.740 0.098 0.000 1.346 4 C HN 0.825 nan 8.230 nan 0.000 0.658 5 E N 0.929 121.235 120.200 0.177 0.000 2.259 5 E HA 0.424 4.774 4.350 -0.000 0.000 0.281 5 E C 0.520 177.179 176.600 0.099 0.000 1.027 5 E CA -0.651 55.863 56.400 0.191 0.000 0.838 5 E CB 0.609 30.423 29.700 0.190 0.000 1.066 5 E HN 0.520 nan 8.360 nan 0.000 0.401 6 R N 4.006 124.383 120.500 -0.205 0.000 2.480 6 R HA 0.018 4.358 4.340 -0.000 0.000 0.303 6 R C -0.941 175.216 176.300 -0.239 0.000 0.985 6 R CA -0.167 55.542 56.100 -0.653 0.000 1.051 6 R CB -0.010 29.975 30.300 -0.524 0.000 0.935 6 R HN 0.449 nan 8.270 nan 0.000 0.410 7 L N 6.512 127.594 121.223 -0.234 0.000 2.283 7 L HA 0.381 4.721 4.340 -0.000 0.000 0.287 7 L C -0.256 176.505 176.870 -0.181 0.000 1.073 7 L CA 0.506 55.220 54.840 -0.210 0.000 0.822 7 L CB -0.073 41.817 42.059 -0.282 0.000 1.186 7 L HN 0.913 nan 8.230 nan 0.000 0.436 8 R N 2.737 123.147 120.500 -0.151 0.000 2.829 8 R HA 0.822 5.162 4.340 -0.000 0.000 0.267 8 R C 0.420 176.669 176.300 -0.084 0.000 1.051 8 R CA -0.610 55.428 56.100 -0.104 0.000 0.927 8 R CB -0.137 30.116 30.300 -0.078 0.000 1.292 8 R HN 0.681 nan 8.270 nan 0.000 0.445 9 G N 0.295 109.060 108.800 -0.059 0.000 2.632 9 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.322 9 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.322 9 G C 0.986 175.855 174.900 -0.051 0.000 1.326 9 G CA 1.658 46.731 45.100 -0.045 0.000 0.986 9 G HN 1.157 nan 8.290 nan 0.000 0.541 10 A N -0.614 122.182 122.820 -0.041 0.000 1.972 10 A HA 0.298 4.617 4.320 -0.000 0.000 0.219 10 A C 2.997 180.546 177.584 -0.057 0.000 1.169 10 A CA 3.265 55.278 52.037 -0.040 0.000 0.635 10 A CB -0.977 18.008 19.000 -0.026 0.000 0.810 10 A HN 2.170 nan 8.150 nan 0.000 0.446 11 A N -0.230 122.550 122.820 -0.068 0.000 1.877 11 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 11 A C 2.103 179.583 177.584 -0.174 0.000 1.186 11 A CA 1.752 53.729 52.037 -0.099 0.000 0.620 11 A CB -0.695 18.255 19.000 -0.084 0.000 0.822 11 A HN 0.737 nan 8.150 nan 0.000 0.443 12 L N -0.192 120.922 121.223 -0.181 0.000 2.043 12 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 12 L C 2.381 179.168 176.870 -0.138 0.000 1.075 12 L CA 2.260 56.983 54.840 -0.195 0.000 0.752 12 L CB -0.676 41.296 42.059 -0.144 0.000 0.891 12 L HN 0.397 nan 8.230 nan 0.000 0.432 13 R N -0.741 119.702 120.500 -0.095 0.000 2.092 13 R HA -0.125 4.214 4.340 -0.000 0.000 0.231 13 R C 1.856 178.118 176.300 -0.065 0.000 1.119 13 R CA 1.500 57.560 56.100 -0.067 0.000 0.970 13 R CB -0.184 30.087 30.300 -0.047 0.000 0.864 13 R HN 0.507 nan 8.270 nan 0.000 0.440 14 D N -0.314 120.044 120.400 -0.070 0.000 2.123 14 D HA -0.107 4.533 4.640 -0.000 0.000 0.200 14 D C 1.965 178.224 176.300 -0.069 0.000 0.976 14 D CA 0.875 54.841 54.000 -0.057 0.000 0.831 14 D CB -0.329 40.445 40.800 -0.043 0.000 0.974 14 D HN 0.010 nan 8.370 nan 0.000 0.469 15 V N 1.324 121.172 119.914 -0.109 0.000 2.287 15 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 15 V C 2.637 178.669 176.094 -0.104 0.000 1.053 15 V CA 1.338 63.561 62.300 -0.128 0.000 1.027 15 V CB -0.464 31.197 31.823 -0.271 0.000 0.646 15 V HN 0.173 nan 8.190 nan 0.000 0.447 16 L N -0.133 121.030 121.223 -0.100 0.000 2.095 16 L HA 0.017 4.357 4.340 -0.000 0.000 0.204 16 L C 2.652 179.492 176.870 -0.049 0.000 1.080 16 L CA 1.451 56.250 54.840 -0.070 0.000 0.759 16 L CB -1.064 40.961 42.059 -0.057 0.000 0.914 16 L HN 0.459 nan 8.230 nan 0.000 0.439 17 G N -0.160 108.612 108.800 -0.045 0.000 2.446 17 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 17 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 17 G C 1.745 176.626 174.900 -0.032 0.000 1.168 17 G CA 0.628 45.709 45.100 -0.032 0.000 0.771 17 G HN 0.251 nan 8.290 nan 0.000 0.551 18 R N 0.562 121.039 120.500 -0.038 0.000 2.115 18 R HA 0.226 4.566 4.340 -0.000 0.000 0.226 18 R C 1.651 177.927 176.300 -0.040 0.000 1.100 18 R CA 0.403 56.482 56.100 -0.036 0.000 0.980 18 R CB -0.245 30.034 30.300 -0.036 0.000 0.875 18 R HN 0.339 nan 8.270 nan 0.000 0.445 19 A N 1.142 123.932 122.820 -0.050 0.000 2.520 19 A HA -0.039 4.281 4.320 -0.000 0.000 0.245 19 A C 0.460 178.017 177.584 -0.046 0.000 1.072 19 A CA 0.046 52.048 52.037 -0.058 0.000 0.761 19 A CB 0.408 19.363 19.000 -0.075 0.000 1.004 19 A HN 0.361 nan 8.150 nan 0.000 0.499 20 Q N 1.194 120.967 119.800 -0.045 0.000 2.424 20 Q HA 0.269 4.609 4.340 -0.000 0.000 0.204 20 Q C 0.739 176.716 176.000 -0.039 0.000 0.933 20 Q CA 0.658 56.442 55.803 -0.032 0.000 0.929 20 Q CB 0.521 29.244 28.738 -0.024 0.000 1.037 20 Q HN 0.941 nan 8.270 nan 0.000 0.511 21 G N -0.485 108.277 108.800 -0.064 0.000 2.616 21 G HA2 0.453 4.413 3.960 -0.000 0.000 0.294 21 G HA3 0.453 4.413 3.960 -0.000 0.000 0.294 21 G C -1.759 173.057 174.900 -0.138 0.000 1.489 21 G CA -0.538 44.508 45.100 -0.090 0.000 0.836 21 G HN -0.077 nan 8.290 nan 0.000 0.527 22 V N 1.612 121.416 119.914 -0.183 0.000 2.531 22 V HA 0.528 4.648 4.120 -0.000 0.000 0.301 22 V C -0.047 175.795 176.094 -0.420 0.000 1.034 22 V CA -0.707 61.383 62.300 -0.350 0.000 0.865 22 V CB 1.693 33.244 31.823 -0.453 0.000 0.995 22 V HN 0.694 nan 8.190 nan 0.000 0.424 23 L N 5.017 125.988 121.223 -0.421 0.000 2.264 23 L HA 0.573 4.913 4.340 -0.000 0.000 0.289 23 L C -1.119 175.488 176.870 -0.439 0.000 1.044 23 L CA -0.150 54.496 54.840 -0.322 0.000 0.807 23 L CB 0.970 42.962 42.059 -0.111 0.000 1.192 23 L HN 0.512 nan 8.230 nan 0.000 0.425 24 F N 1.599 121.424 119.950 -0.208 0.000 2.458 24 F HA 0.254 4.781 4.527 -0.000 0.000 0.336 24 F C 0.516 176.325 175.800 0.015 0.000 1.114 24 F CA -0.799 57.156 58.000 -0.076 0.000 0.987 24 F CB 1.360 40.355 39.000 -0.008 0.000 1.130 24 F HN 0.422 nan 8.300 nan 0.000 0.458 25 D N 1.283 121.782 120.400 0.166 0.000 2.360 25 D HA 0.178 4.818 4.640 -0.000 0.000 0.242 25 D C 0.258 176.564 176.300 0.011 0.000 1.184 25 D CA -0.159 53.890 54.000 0.081 0.000 0.930 25 D CB 1.145 41.956 40.800 0.020 0.000 1.161 25 D HN 0.549 nan 8.370 nan 0.000 0.447 26 C N -0.149 119.070 119.300 -0.135 0.000 2.992 26 C HA 0.191 4.651 4.460 -0.000 0.000 0.277 26 C C 0.102 174.675 174.990 -0.695 0.000 1.564 26 C CA -0.301 58.392 59.018 -0.543 0.000 1.722 26 C CB -0.575 26.892 27.740 -0.455 0.000 1.895 26 C HN 0.583 nan 8.230 nan 0.000 0.701 27 D N 0.885 121.113 120.400 -0.287 0.000 2.389 27 D HA 0.382 5.022 4.640 -0.000 0.000 0.247 27 D C 1.039 177.296 176.300 -0.071 0.000 1.128 27 D CA 1.431 55.376 54.000 -0.092 0.000 0.884 27 D CB 0.497 41.370 40.800 0.122 0.000 1.194 27 D HN 0.764 nan 8.370 nan 0.000 0.441 28 G N 0.885 109.670 108.800 -0.025 0.000 2.179 28 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 28 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 28 G C 0.726 175.609 174.900 -0.027 0.000 0.977 28 G CA 0.437 45.541 45.100 0.007 0.000 0.641 28 G HN 0.469 nan 8.290 nan 0.000 0.533 29 V N -0.623 119.212 119.914 -0.132 0.000 3.161 29 V HA 0.313 4.433 4.120 -0.000 0.000 0.221 29 V C 2.321 178.317 176.094 -0.163 0.000 1.296 29 V CA 1.142 63.385 62.300 -0.095 0.000 1.306 29 V CB -0.160 31.632 31.823 -0.053 0.000 1.171 29 V HN 0.198 nan 8.190 nan 0.000 0.513 30 L N -0.591 120.344 121.223 -0.480 0.000 2.354 30 L HA 0.176 4.516 4.340 -0.000 0.000 0.212 30 L C 0.603 177.403 176.870 -0.117 0.000 1.091 30 L CA 0.741 55.277 54.840 -0.507 0.000 0.828 30 L CB 0.109 41.341 42.059 -1.379 0.000 0.973 30 L HN 0.639 nan 8.230 nan 0.000 0.461 31 W N -1.758 119.522 121.300 -0.034 0.000 3.059 31 W HA 0.446 5.107 4.660 0.001 0.000 0.329 31 W C -1.602 174.909 176.519 -0.014 0.000 1.246 31 W CA -1.546 55.793 57.345 -0.010 0.000 1.190 31 W CB 0.257 29.685 29.460 -0.054 0.000 1.423 31 W HN -0.272 nan 8.180 nan 0.000 0.571 32 N N 1.158 120.049 118.700 0.319 0.000 2.504 32 N HA 0.536 5.276 4.740 -0.000 0.000 0.280 32 N C 0.494 176.096 175.510 0.154 0.000 1.052 32 N CA 0.288 53.473 53.050 0.225 0.000 0.887 32 N CB 1.890 40.462 38.487 0.141 0.000 1.323 32 N HN 1.150 nan 8.380 nan 0.000 0.509 33 G N 1.819 110.690 108.800 0.117 0.000 2.596 33 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.304 33 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.304 33 G C 0.463 175.306 174.900 -0.095 0.000 1.189 33 G CA 0.014 45.113 45.100 -0.000 0.000 0.986 33 G HN 0.511 nan 8.290 nan 0.000 0.548 34 E N 1.611 121.769 120.200 -0.069 0.000 2.494 34 E HA 0.105 4.455 4.350 -0.000 0.000 0.193 34 E C 1.392 177.964 176.600 -0.048 0.000 1.074 34 E CA 0.314 56.657 56.400 -0.094 0.000 0.867 34 E CB 0.104 29.764 29.700 -0.066 0.000 0.924 34 E HN 0.472 nan 8.360 nan 0.000 0.502 35 R N 0.600 121.109 120.500 0.015 0.000 2.409 35 R HA 0.509 4.849 4.340 -0.000 0.000 0.313 35 R C -0.805 175.595 176.300 0.166 0.000 0.953 35 R CA -0.432 55.709 56.100 0.069 0.000 0.849 35 R CB 1.222 31.559 30.300 0.063 0.000 1.171 35 R HN -0.029 nan 8.270 nan 0.000 0.458 36 A N 3.584 126.510 122.820 0.178 0.000 2.425 36 A HA 0.216 4.536 4.320 -0.000 0.000 0.249 36 A C 0.031 177.733 177.584 0.196 0.000 1.084 36 A CA -0.392 51.816 52.037 0.285 0.000 0.781 36 A CB 0.720 19.863 19.000 0.237 0.000 1.019 36 A HN 0.541 nan 8.150 nan 0.000 0.490 37 V N 4.908 124.953 119.914 0.218 0.000 2.485 37 V HA 0.102 4.222 4.120 -0.000 0.000 0.287 37 V C -1.937 174.218 176.094 0.103 0.000 1.022 37 V CA -0.649 61.734 62.300 0.139 0.000 1.067 37 V CB 0.436 32.333 31.823 0.124 0.000 0.967 37 V HN 0.739 nan 8.190 nan 0.000 0.479 38 P HA 0.218 nan 4.420 nan 0.000 0.263 38 P C 0.916 178.234 177.300 0.029 0.000 1.195 38 P CA 1.256 64.376 63.100 0.034 0.000 0.762 38 P CB 0.514 32.231 31.700 0.030 0.000 0.799 39 G N 2.877 111.679 108.800 0.003 0.000 2.176 39 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.232 39 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.232 39 G C 1.085 175.995 174.900 0.017 0.000 0.986 39 G CA 0.314 45.417 45.100 0.005 0.000 0.643 39 G HN 0.640 nan 8.290 nan 0.000 0.522 40 A N 0.913 123.757 122.820 0.039 0.000 1.897 40 A HA 0.362 4.682 4.320 -0.000 0.000 0.215 40 A C 0.552 178.173 177.584 0.061 0.000 1.181 40 A CA 2.284 54.392 52.037 0.118 0.000 0.620 40 A CB -0.831 18.344 19.000 0.290 0.000 0.821 40 A HN 0.423 nan 8.150 nan 0.000 0.443 41 P HA -0.108 nan 4.420 nan 0.000 0.218 41 P C 0.828 178.051 177.300 -0.129 0.000 1.149 41 P CA 1.350 64.163 63.100 -0.478 0.000 0.817 41 P CB 0.016 31.309 31.700 -0.678 0.000 0.785 42 E N -0.852 119.299 120.200 -0.082 0.000 2.107 42 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 42 E C 1.799 178.409 176.600 0.017 0.000 0.982 42 E CA 0.482 56.865 56.400 -0.028 0.000 0.809 42 E CB -1.150 28.535 29.700 -0.025 0.000 0.756 42 E HN 0.109 nan 8.360 nan 0.000 0.459 43 L N 0.278 121.524 121.223 0.038 0.000 2.012 43 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 43 L C 1.721 178.645 176.870 0.090 0.000 1.073 43 L CA 1.573 56.456 54.840 0.073 0.000 0.748 43 L CB -0.366 41.752 42.059 0.098 0.000 0.891 43 L HN 0.142 nan 8.230 nan 0.000 0.431 44 L N -0.284 120.996 121.223 0.094 0.000 2.027 44 L HA -0.179 4.161 4.340 -0.000 0.000 0.206 44 L C 2.566 179.505 176.870 0.116 0.000 1.074 44 L CA 1.687 56.607 54.840 0.133 0.000 0.745 44 L CB -1.486 40.715 42.059 0.238 0.000 0.898 44 L HN 0.419 nan 8.230 nan 0.000 0.433 45 E N -0.697 119.549 120.200 0.077 0.000 2.033 45 E HA -0.240 4.110 4.350 -0.000 0.000 0.199 45 E C 2.323 178.956 176.600 0.054 0.000 1.011 45 E CA 1.263 57.695 56.400 0.054 0.000 0.815 45 E CB -0.060 29.654 29.700 0.022 0.000 0.755 45 E HN 0.271 nan 8.360 nan 0.000 0.451 46 R N 0.306 120.836 120.500 0.049 0.000 2.120 46 R HA -0.099 4.241 4.340 -0.000 0.000 0.234 46 R C 2.445 178.777 176.300 0.053 0.000 1.123 46 R CA 0.794 56.920 56.100 0.044 0.000 0.975 46 R CB -0.485 29.838 30.300 0.038 0.000 0.866 46 R HN 0.282 nan 8.270 nan 0.000 0.446 47 L N -0.053 121.216 121.223 0.076 0.000 2.056 47 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 47 L C 2.677 179.588 176.870 0.068 0.000 1.078 47 L CA 1.328 56.217 54.840 0.082 0.000 0.749 47 L CB -0.641 41.495 42.059 0.129 0.000 0.901 47 L HN 0.138 nan 8.230 nan 0.000 0.433 48 A N 0.169 123.034 122.820 0.075 0.000 1.858 48 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 48 A C 2.376 179.989 177.584 0.048 0.000 1.190 48 A CA 1.509 53.586 52.037 0.066 0.000 0.617 48 A CB -0.546 18.498 19.000 0.074 0.000 0.827 48 A HN 0.298 nan 8.150 nan 0.000 0.443 49 R N -0.540 119.986 120.500 0.043 0.000 2.103 49 R HA -0.180 4.160 4.340 -0.000 0.000 0.242 49 R C 2.200 178.516 176.300 0.027 0.000 1.142 49 R CA 1.370 57.489 56.100 0.032 0.000 0.960 49 R CB -0.582 29.735 30.300 0.027 0.000 0.858 49 R HN 0.516 nan 8.270 nan 0.000 0.439 50 A N 0.234 123.071 122.820 0.029 0.000 2.239 50 A HA 0.121 4.441 4.320 -0.000 0.000 0.209 50 A C 1.407 179.004 177.584 0.021 0.000 1.171 50 A CA 0.902 52.952 52.037 0.022 0.000 0.768 50 A CB -0.306 18.706 19.000 0.020 0.000 0.790 50 A HN 0.511 nan 8.150 nan 0.000 0.478 51 G N -0.530 108.287 108.800 0.027 0.000 2.176 51 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.252 51 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.252 51 G C -0.012 174.903 174.900 0.024 0.000 1.024 51 G CA 0.566 45.682 45.100 0.027 0.000 0.755 51 G HN 0.611 nan 8.290 nan 0.000 0.507 52 K N 0.266 120.681 120.400 0.026 0.000 2.185 52 K HA 0.663 4.983 4.320 -0.000 0.000 0.269 52 K C 0.571 177.182 176.600 0.019 0.000 0.987 52 K CA -0.052 56.245 56.287 0.016 0.000 0.865 52 K CB 1.784 34.291 32.500 0.012 0.000 1.090 52 K HN 0.467 nan 8.250 nan 0.000 0.450 53 A N 2.233 125.051 122.820 -0.003 0.000 2.454 53 A HA 0.425 4.745 4.320 -0.000 0.000 0.260 53 A C -0.141 177.405 177.584 -0.064 0.000 1.106 53 A CA -0.291 51.731 52.037 -0.026 0.000 0.780 53 A CB 0.133 19.104 19.000 -0.049 0.000 1.044 53 A HN 0.756 nan 8.150 nan 0.000 0.498 54 A N 3.225 126.012 122.820 -0.054 0.000 2.304 54 A HA 0.736 5.056 4.320 -0.000 0.000 0.323 54 A C -0.387 176.990 177.584 -0.345 0.000 1.195 54 A CA -0.392 51.571 52.037 -0.124 0.000 0.826 54 A CB 0.444 19.463 19.000 0.032 0.000 1.184 54 A HN 0.847 nan 8.150 nan 0.000 0.496 55 L N 0.929 121.821 121.223 -0.552 0.000 2.359 55 L HA 0.706 5.046 4.340 -0.000 0.000 0.256 55 L C -1.419 174.976 176.870 -0.792 0.000 1.026 55 L CA -0.549 53.968 54.840 -0.537 0.000 0.828 55 L CB 2.294 44.165 42.059 -0.313 0.000 1.406 55 L HN 0.685 nan 8.230 nan 0.000 0.413 56 F N 0.923 120.971 119.950 0.163 0.000 2.518 56 F HA 0.601 5.128 4.527 0.000 0.000 0.323 56 F C -0.300 175.626 175.800 0.210 0.000 1.129 56 F CA -0.906 57.209 58.000 0.190 0.000 0.920 56 F CB 2.028 41.137 39.000 0.182 0.000 1.160 56 F HN -0.036 nan 8.300 nan 0.000 0.440 57 V N 3.110 123.189 119.914 0.274 0.000 2.409 57 V HA 0.697 4.817 4.120 -0.000 0.000 0.290 57 V C -1.070 175.081 176.094 0.096 0.000 1.017 57 V CA -0.022 62.375 62.300 0.161 0.000 0.841 57 V CB 1.498 33.345 31.823 0.040 0.000 1.003 57 V HN 0.773 nan 8.190 nan 0.000 0.426 58 S N 4.811 120.576 115.700 0.109 0.000 2.513 58 S HA 0.526 4.996 4.470 -0.000 0.000 0.299 58 S C 0.399 175.016 174.600 0.028 0.000 1.087 58 S CA -0.698 57.542 58.200 0.066 0.000 1.012 58 S CB 1.679 64.947 63.200 0.115 0.000 1.044 58 S HN 0.795 nan 8.310 nan 0.000 0.485 59 N N 2.816 121.515 118.700 -0.001 0.000 2.383 59 N HA 0.078 4.818 4.740 -0.000 0.000 0.192 59 N C -0.018 175.491 175.510 -0.002 0.000 1.141 59 N CA 0.051 53.102 53.050 0.002 0.000 0.851 59 N CB -0.284 38.206 38.487 0.005 0.000 0.976 59 N HN 0.580 nan 8.380 nan 0.000 0.465 60 N N 1.054 119.742 118.700 -0.019 0.000 2.447 60 N HA -0.050 4.690 4.740 -0.000 0.000 0.263 60 N C 0.350 175.856 175.510 -0.006 0.000 1.226 60 N CA 0.501 53.517 53.050 -0.057 0.000 0.906 60 N CB 0.560 39.018 38.487 -0.048 0.000 1.060 60 N HN 0.099 nan 8.380 nan 0.000 0.468 61 S N 2.755 118.452 115.700 -0.004 0.000 2.749 61 S HA 0.265 4.735 4.470 -0.000 0.000 0.246 61 S C 1.181 175.816 174.600 0.057 0.000 1.023 61 S CA -0.557 57.671 58.200 0.047 0.000 1.012 61 S CB 0.442 63.691 63.200 0.082 0.000 0.942 61 S HN 0.576 nan 8.310 nan 0.000 0.531 62 R N 0.861 121.368 120.500 0.011 0.000 2.140 62 R HA 0.303 4.643 4.340 -0.000 0.000 0.213 62 R C -0.052 176.266 176.300 0.030 0.000 1.059 62 R CA 0.512 56.633 56.100 0.035 0.000 1.000 62 R CB 0.272 30.531 30.300 -0.069 0.000 0.910 62 R HN 0.138 nan 8.270 nan 0.000 0.455 63 R N -0.125 120.381 120.500 0.010 0.000 2.621 63 R HA 0.396 4.736 4.340 -0.000 0.000 0.292 63 R C -0.973 175.339 176.300 0.020 0.000 0.969 63 R CA -0.707 55.400 56.100 0.011 0.000 0.887 63 R CB 1.784 32.080 30.300 -0.006 0.000 1.180 63 R HN 0.095 nan 8.270 nan 0.000 0.450 64 A N 2.179 125.011 122.820 0.019 0.000 2.425 64 A HA 0.139 4.459 4.320 -0.000 0.000 0.242 64 A C 1.488 179.080 177.584 0.014 0.000 1.077 64 A CA -0.066 51.981 52.037 0.018 0.000 0.781 64 A CB 0.337 19.345 19.000 0.014 0.000 1.020 64 A HN 0.826 nan 8.150 nan 0.000 0.494 65 R N 0.764 121.268 120.500 0.008 0.000 2.134 65 R HA -0.175 4.165 4.340 -0.000 0.000 0.248 65 R C -0.873 175.426 176.300 -0.001 0.000 1.143 65 R CA 2.542 58.640 56.100 -0.003 0.000 0.957 65 R CB -1.268 29.012 30.300 -0.034 0.000 0.867 65 R HN 0.626 nan 8.270 nan 0.000 0.441 66 P HA -0.098 nan 4.420 nan 0.000 0.218 66 P C 0.362 177.664 177.300 0.004 0.000 1.149 66 P CA 1.271 64.368 63.100 -0.005 0.000 0.817 66 P CB 0.110 31.806 31.700 -0.006 0.000 0.785 67 E N -1.296 118.908 120.200 0.006 0.000 2.230 67 E HA -0.027 4.323 4.350 -0.000 0.000 0.192 67 E C 1.723 178.330 176.600 0.012 0.000 0.987 67 E CA 0.312 56.714 56.400 0.003 0.000 0.841 67 E CB -0.942 28.756 29.700 -0.003 0.000 0.783 67 E HN 0.093 nan 8.360 nan 0.000 0.481 68 L N 0.355 121.601 121.223 0.037 0.000 2.056 68 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 68 L C 2.038 179.023 176.870 0.193 0.000 1.078 68 L CA 1.575 56.467 54.840 0.087 0.000 0.749 68 L CB -0.552 41.570 42.059 0.104 0.000 0.901 68 L HN 0.134 nan 8.230 nan 0.000 0.433 69 A N -0.816 122.087 122.820 0.139 0.000 2.024 69 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 69 A C 2.243 179.924 177.584 0.162 0.000 1.164 69 A CA 1.662 53.783 52.037 0.141 0.000 0.643 69 A CB -0.786 18.213 19.000 -0.001 0.000 0.806 69 A HN 0.472 nan 8.150 nan 0.000 0.451 70 L N -1.132 120.136 121.223 0.074 0.000 2.012 70 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 70 L C 2.792 179.657 176.870 -0.009 0.000 1.073 70 L CA 1.942 56.795 54.840 0.023 0.000 0.748 70 L CB -0.490 41.558 42.059 -0.017 0.000 0.891 70 L HN 0.485 nan 8.230 nan 0.000 0.431 71 R N -0.311 120.139 120.500 -0.083 0.000 2.127 71 R HA -0.211 4.129 4.340 -0.000 0.000 0.238 71 R C 2.264 178.337 176.300 -0.379 0.000 1.134 71 R CA 1.590 57.486 56.100 -0.339 0.000 0.975 71 R CB -0.264 29.715 30.300 -0.535 0.000 0.865 71 R HN 0.152 nan 8.270 nan 0.000 0.447 72 F N 0.236 120.099 119.950 -0.144 0.000 2.051 72 F HA -0.133 4.394 4.527 -0.000 0.000 0.296 72 F C 2.621 178.508 175.800 0.146 0.000 1.122 72 F CA 1.585 59.612 58.000 0.045 0.000 1.201 72 F CB -0.594 38.395 39.000 -0.018 0.000 0.978 72 F HN 0.141 nan 8.300 nan 0.000 0.472 73 A N -0.097 122.872 122.820 0.250 0.000 1.972 73 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 73 A C 2.221 179.853 177.584 0.079 0.000 1.169 73 A CA 1.689 53.816 52.037 0.149 0.000 0.635 73 A CB -0.845 18.205 19.000 0.084 0.000 0.810 73 A HN 0.386 nan 8.150 nan 0.000 0.446 74 R N -1.022 119.491 120.500 0.022 0.000 2.092 74 R HA -0.039 4.300 4.340 -0.000 0.000 0.231 74 R C 0.565 176.840 176.300 -0.040 0.000 1.119 74 R CA 1.149 57.225 56.100 -0.040 0.000 0.970 74 R CB -0.161 30.078 30.300 -0.102 0.000 0.864 74 R HN 0.334 nan 8.270 nan 0.000 0.440 75 L N 0.605 121.825 121.223 -0.006 0.000 2.728 75 L HA 0.316 4.656 4.340 -0.000 0.000 0.235 75 L C 0.843 177.782 176.870 0.116 0.000 1.197 75 L CA 1.097 55.978 54.840 0.069 0.000 0.992 75 L CB 0.104 42.192 42.059 0.048 0.000 1.263 75 L HN 0.576 nan 8.230 nan 0.000 0.484 76 G N -0.804 108.013 108.800 0.027 0.000 2.157 76 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.239 76 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.239 76 G C 0.238 174.978 174.900 -0.268 0.000 0.982 76 G CA -0.332 44.673 45.100 -0.159 0.000 0.650 76 G HN 0.258 nan 8.290 nan 0.000 0.527 77 F N 2.414 122.420 119.950 0.093 0.000 2.441 77 F HA 0.551 5.078 4.527 -0.000 0.000 0.337 77 F C 1.440 177.298 175.800 0.097 0.000 1.182 77 F CA -0.334 57.743 58.000 0.127 0.000 1.279 77 F CB 0.675 39.828 39.000 0.255 0.000 1.614 77 F HN 0.254 nan 8.300 nan 0.000 0.574 78 G N -0.318 108.565 108.800 0.139 0.000 2.606 78 G HA2 0.408 4.368 3.960 -0.000 0.000 0.252 78 G HA3 0.408 4.368 3.960 -0.000 0.000 0.252 78 G C 0.914 175.863 174.900 0.082 0.000 1.206 78 G CA 0.048 45.203 45.100 0.091 0.000 0.861 78 G HN 0.936 nan 8.290 nan 0.000 0.561 79 G N -1.128 107.704 108.800 0.054 0.000 2.136 79 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.242 79 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.242 79 G C 0.290 175.213 174.900 0.038 0.000 0.989 79 G CA 0.282 45.409 45.100 0.045 0.000 0.682 79 G HN 0.671 nan 8.290 nan 0.000 0.522 80 L N 0.809 122.037 121.223 0.009 0.000 2.290 80 L HA 0.441 4.781 4.340 -0.000 0.000 0.284 80 L C 1.134 177.972 176.870 -0.053 0.000 1.078 80 L CA -0.832 53.979 54.840 -0.049 0.000 0.815 80 L CB 0.804 42.724 42.059 -0.231 0.000 1.162 80 L HN 0.163 nan 8.230 nan 0.000 0.435 81 R N 2.319 122.810 120.500 -0.014 0.000 2.442 81 R HA 0.219 4.559 4.340 -0.000 0.000 0.291 81 R C 0.959 177.222 176.300 -0.062 0.000 1.069 81 R CA -0.121 55.973 56.100 -0.009 0.000 1.022 81 R CB 0.761 31.090 30.300 0.049 0.000 0.976 81 R HN 0.790 nan 8.270 nan 0.000 0.443 82 A N 3.040 125.814 122.820 -0.078 0.000 2.125 82 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 82 A C 1.430 178.931 177.584 -0.139 0.000 1.156 82 A CA 1.162 53.127 52.037 -0.120 0.000 0.671 82 A CB -0.167 18.780 19.000 -0.088 0.000 0.794 82 A HN 0.778 nan 8.150 nan 0.000 0.459 83 E N -0.063 120.095 120.200 -0.069 0.000 2.409 83 E HA -0.137 4.213 4.350 -0.000 0.000 0.198 83 E C 1.810 178.419 176.600 0.015 0.000 1.024 83 E CA 0.844 57.222 56.400 -0.037 0.000 0.861 83 E CB -0.200 29.548 29.700 0.079 0.000 0.788 83 E HN 0.744 nan 8.360 nan 0.000 0.521 84 Q N -0.327 119.484 119.800 0.019 0.000 2.472 84 Q HA 0.087 4.427 4.340 -0.000 0.000 0.208 84 Q C -0.239 175.802 176.000 0.068 0.000 0.958 84 Q CA 0.312 56.164 55.803 0.081 0.000 0.932 84 Q CB 0.246 29.083 28.738 0.165 0.000 1.007 84 Q HN 0.259 nan 8.270 nan 0.000 0.508 85 L N 0.608 121.705 121.223 -0.211 0.000 2.305 85 L HA 0.464 4.804 4.340 -0.000 0.000 0.284 85 L C -0.933 175.709 176.870 -0.380 0.000 1.013 85 L CA -0.596 54.172 54.840 -0.120 0.000 0.819 85 L CB 0.820 42.795 42.059 -0.139 0.000 1.227 85 L HN -0.095 nan 8.230 nan 0.000 0.417 86 F N 1.332 121.345 119.950 0.104 0.000 2.460 86 F HA 0.498 5.025 4.527 0.000 0.000 0.341 86 F C 0.505 176.347 175.800 0.070 0.000 1.130 86 F CA -0.528 57.514 58.000 0.071 0.000 0.962 86 F CB 2.169 41.192 39.000 0.038 0.000 1.171 86 F HN 0.467 nan 8.300 nan 0.000 0.436 87 S N 0.020 115.829 115.700 0.182 0.000 2.648 87 S HA 0.385 4.855 4.470 -0.000 0.000 0.305 87 S C 0.916 175.591 174.600 0.124 0.000 1.094 87 S CA -0.103 58.174 58.200 0.129 0.000 0.983 87 S CB 1.536 64.791 63.200 0.091 0.000 1.101 87 S HN 0.622 nan 8.310 nan 0.000 0.514 88 S N 0.850 116.604 115.700 0.090 0.000 2.399 88 S HA -0.089 4.380 4.470 -0.000 0.000 0.231 88 S C 1.958 176.621 174.600 0.104 0.000 1.022 88 S CA 0.795 59.054 58.200 0.098 0.000 0.983 88 S CB -1.186 62.057 63.200 0.072 0.000 0.803 88 S HN 1.126 nan 8.310 nan 0.000 0.480 89 A N 1.927 124.798 122.820 0.085 0.000 1.877 89 A HA 0.082 4.402 4.320 -0.000 0.000 0.216 89 A C 2.254 179.890 177.584 0.086 0.000 1.186 89 A CA 1.566 53.649 52.037 0.076 0.000 0.620 89 A CB -0.896 18.139 19.000 0.058 0.000 0.822 89 A HN 0.549 nan 8.150 nan 0.000 0.443 90 L N -0.464 120.816 121.223 0.094 0.000 2.027 90 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 90 L C 2.426 179.386 176.870 0.149 0.000 1.074 90 L CA 2.310 57.210 54.840 0.100 0.000 0.745 90 L CB -0.556 41.550 42.059 0.079 0.000 0.898 90 L HN 0.445 nan 8.230 nan 0.000 0.433 91 c N -0.343 118.375 118.600 0.197 0.000 2.435 91 c HA 0.030 4.600 4.570 -0.000 0.000 0.279 91 c C 3.003 177.281 174.090 0.313 0.000 1.321 91 c CA 0.384 56.884 56.329 0.285 0.000 1.752 91 c CB -1.568 41.113 42.510 0.284 0.000 1.959 91 c HN 0.713 nan 8.230 nan 0.000 0.500 92 A N 0.918 123.855 122.820 0.194 0.000 1.902 92 A HA 0.048 4.368 4.320 -0.000 0.000 0.217 92 A C 2.390 180.025 177.584 0.085 0.000 1.181 92 A CA 2.060 54.165 52.037 0.114 0.000 0.623 92 A CB -0.910 18.138 19.000 0.081 0.000 0.818 92 A HN 0.550 nan 8.150 nan 0.000 0.443 93 A N -0.128 122.747 122.820 0.092 0.000 1.877 93 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 93 A C 2.259 179.893 177.584 0.083 0.000 1.186 93 A CA 1.579 53.658 52.037 0.071 0.000 0.620 93 A CB -0.499 18.539 19.000 0.064 0.000 0.822 93 A HN 0.558 nan 8.150 nan 0.000 0.443 94 R N -0.989 119.588 120.500 0.128 0.000 2.081 94 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 94 R C 2.255 178.642 176.300 0.145 0.000 1.131 94 R CA 1.485 57.675 56.100 0.151 0.000 0.960 94 R CB -0.617 29.808 30.300 0.207 0.000 0.856 94 R HN 0.588 nan 8.270 nan 0.000 0.436 95 L N 1.087 122.392 121.223 0.137 0.000 2.046 95 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 95 L C 2.148 178.992 176.870 -0.044 0.000 1.077 95 L CA 1.288 56.099 54.840 -0.048 0.000 0.747 95 L CB -0.151 41.658 42.059 -0.416 0.000 0.896 95 L HN 0.155 nan 8.230 nan 0.000 0.432 96 L N -0.655 120.560 121.223 -0.013 0.000 2.012 96 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 96 L C 2.875 179.751 176.870 0.009 0.000 1.073 96 L CA 0.958 55.795 54.840 -0.004 0.000 0.748 96 L CB -0.665 41.399 42.059 0.008 0.000 0.891 96 L HN 0.244 nan 8.230 nan 0.000 0.431 97 R N 0.199 120.715 120.500 0.026 0.000 2.105 97 R HA -0.181 4.159 4.340 -0.000 0.000 0.239 97 R C 2.168 178.485 176.300 0.027 0.000 1.135 97 R CA 1.404 57.521 56.100 0.028 0.000 0.967 97 R CB -0.586 29.737 30.300 0.039 0.000 0.861 97 R HN 0.567 nan 8.270 nan 0.000 0.442 98 Q N -0.528 119.292 119.800 0.033 0.000 2.172 98 Q HA -0.033 4.307 4.340 -0.000 0.000 0.200 98 Q C 1.686 177.693 176.000 0.013 0.000 0.964 98 Q CA 1.104 56.927 55.803 0.032 0.000 0.855 98 Q CB 0.168 28.939 28.738 0.055 0.000 0.918 98 Q HN 0.279 nan 8.270 nan 0.000 0.444 99 R N -0.929 119.570 120.500 -0.003 0.000 2.369 99 R HA 0.144 4.484 4.340 -0.000 0.000 0.210 99 R C -0.189 176.107 176.300 -0.007 0.000 0.881 99 R CA -0.442 55.651 56.100 -0.011 0.000 1.031 99 R CB 0.361 30.640 30.300 -0.035 0.000 1.184 99 R HN 0.071 nan 8.270 nan 0.000 0.581 100 L N 4.509 125.730 121.223 -0.003 0.000 2.747 100 L HA -0.048 4.291 4.340 -0.000 0.000 0.286 100 L C -1.821 175.050 176.870 0.001 0.000 1.216 100 L CA -0.380 54.460 54.840 -0.000 0.000 0.930 100 L CB -0.037 42.023 42.059 0.003 0.000 1.216 100 L HN 0.065 nan 8.230 nan 0.000 0.486 101 P HA 0.581 nan 4.420 nan 0.000 0.317 101 P C -0.236 177.065 177.300 0.002 0.000 1.307 101 P CA -0.011 63.090 63.100 0.002 0.000 0.749 101 P CB 0.604 32.306 31.700 0.002 0.000 1.377 102 G N -1.011 107.791 108.800 0.003 0.000 2.758 102 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.686 102 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.686 102 G C -2.797 172.105 174.900 0.003 0.000 1.389 102 G CA -0.826 44.275 45.100 0.003 0.000 0.845 102 G HN 0.563 nan 8.290 nan 0.000 0.572 103 P HA 0.219 nan 4.420 nan 0.000 0.266 103 P C -1.201 176.102 177.300 0.004 0.000 1.193 103 P CA -0.595 62.508 63.100 0.004 0.000 0.770 103 P CB 0.067 31.769 31.700 0.003 0.000 0.836 104 P HA -0.042 nan 4.420 nan 0.000 0.216 104 P C 0.284 177.587 177.300 0.005 0.000 1.153 104 P CA 2.097 65.201 63.100 0.005 0.000 0.858 104 P CB -0.281 31.422 31.700 0.005 0.000 0.789 109 A N 0.950 123.760 122.820 -0.016 0.000 2.340 109 A HA 0.740 5.060 4.320 -0.000 0.000 0.268 109 A C 0.258 177.834 177.584 -0.014 0.000 1.100 109 A CA -0.377 51.651 52.037 -0.014 0.000 0.803 109 A CB 1.004 19.994 19.000 -0.017 0.000 1.043 109 A HN 1.419 nan 8.150 nan 0.000 0.488 110 V N 2.485 122.402 119.914 0.004 0.000 2.394 110 V HA 0.279 4.398 4.120 -0.000 0.000 0.282 110 V C -0.360 175.765 176.094 0.051 0.000 1.031 110 V CA -0.253 62.060 62.300 0.022 0.000 0.881 110 V CB 0.814 32.645 31.823 0.014 0.000 0.982 110 V HN 0.729 nan 8.190 nan 0.000 0.451 111 F N 6.284 126.190 119.950 -0.073 0.000 2.424 111 F HA 0.588 5.114 4.527 -0.002 0.000 0.356 111 F C -0.124 175.692 175.800 0.027 0.000 1.110 111 F CA -0.219 57.763 58.000 -0.031 0.000 1.161 111 F CB 0.966 39.949 39.000 -0.028 0.000 1.115 111 F HN 0.269 nan 8.300 nan 0.000 0.507 112 V N 7.870 127.458 119.914 -0.544 0.000 2.459 112 V HA 0.309 4.429 4.120 -0.000 0.000 0.295 112 V C -0.169 175.635 176.094 -0.485 0.000 1.029 112 V CA -0.890 61.201 62.300 -0.348 0.000 0.874 112 V CB 1.647 33.367 31.823 -0.171 0.000 0.985 112 V HN 0.593 nan 8.190 nan 0.000 0.438 113 L N 5.366 126.455 121.223 -0.222 0.000 2.288 113 L HA 0.828 5.168 4.340 -0.000 0.000 0.283 113 L C 0.668 177.535 176.870 -0.005 0.000 1.072 113 L CA 0.290 55.089 54.840 -0.069 0.000 0.862 113 L CB 0.611 42.742 42.059 0.120 0.000 1.245 113 L HN 0.909 nan 8.230 nan 0.000 0.432 114 G N 1.249 110.042 108.800 -0.011 0.000 2.316 114 G HA2 0.427 4.387 3.960 -0.000 0.000 0.296 114 G HA3 0.427 4.387 3.960 -0.000 0.000 0.296 114 G C -0.779 174.144 174.900 0.039 0.000 1.399 114 G CA -0.226 44.890 45.100 0.026 0.000 0.833 114 G HN 0.583 nan 8.290 nan 0.000 0.565 115 G N -1.236 107.608 108.800 0.074 0.000 2.525 115 G HA2 0.491 4.451 3.960 -0.000 0.000 0.287 115 G HA3 0.491 4.451 3.960 -0.000 0.000 0.287 115 G C 0.582 175.515 174.900 0.057 0.000 1.350 115 G CA 0.045 45.198 45.100 0.089 0.000 1.039 115 G HN 0.472 nan 8.290 nan 0.000 0.513 116 E N -0.096 120.138 120.200 0.056 0.000 2.216 116 E HA -0.043 4.307 4.350 -0.000 0.000 0.192 116 E C 2.531 179.150 176.600 0.030 0.000 0.988 116 E CA 0.918 57.339 56.400 0.034 0.000 0.834 116 E CB -0.450 29.268 29.700 0.031 0.000 0.772 116 E HN 0.481 nan 8.360 nan 0.000 0.479 117 G N 1.742 110.565 108.800 0.038 0.000 2.433 117 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 117 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 117 G C 1.607 176.526 174.900 0.032 0.000 1.186 117 G CA 0.722 45.841 45.100 0.032 0.000 0.779 117 G HN 0.244 nan 8.290 nan 0.000 0.543 118 L N 0.775 122.023 121.223 0.041 0.000 2.012 118 L HA -0.019 4.321 4.340 -0.000 0.000 0.210 118 L C 2.868 179.752 176.870 0.024 0.000 1.073 118 L CA 1.841 56.703 54.840 0.038 0.000 0.748 118 L CB -0.659 41.427 42.059 0.046 0.000 0.891 118 L HN 0.162 nan 8.230 nan 0.000 0.431 119 R N -0.675 119.835 120.500 0.016 0.000 2.073 119 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 119 R C 2.284 178.590 176.300 0.010 0.000 1.134 119 R CA 1.397 57.500 56.100 0.006 0.000 0.952 119 R CB -0.761 29.539 30.300 -0.001 0.000 0.850 119 R HN 0.549 nan 8.270 nan 0.000 0.433 120 A N 1.184 124.011 122.820 0.013 0.000 1.903 120 A HA -0.297 4.023 4.320 -0.000 0.000 0.219 120 A C 2.057 179.650 177.584 0.014 0.000 1.191 120 A CA 2.005 54.049 52.037 0.012 0.000 0.638 120 A CB -0.543 18.464 19.000 0.012 0.000 0.823 120 A HN 0.300 nan 8.150 nan 0.000 0.451 121 E N -0.096 120.116 120.200 0.019 0.000 2.058 121 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 121 E C 1.882 178.497 176.600 0.025 0.000 0.997 121 E CA 1.410 57.824 56.400 0.023 0.000 0.801 121 E CB -0.383 29.336 29.700 0.031 0.000 0.746 121 E HN 0.610 nan 8.360 nan 0.000 0.450 122 L N -0.111 121.126 121.223 0.024 0.000 2.046 122 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 122 L C 2.660 179.540 176.870 0.018 0.000 1.077 122 L CA 1.353 56.206 54.840 0.022 0.000 0.747 122 L CB -0.346 41.722 42.059 0.016 0.000 0.896 122 L HN 0.069 nan 8.230 nan 0.000 0.432 123 R N -0.097 120.411 120.500 0.013 0.000 2.092 123 R HA -0.081 4.259 4.340 -0.000 0.000 0.231 123 R C 2.384 178.692 176.300 0.012 0.000 1.119 123 R CA 1.183 57.289 56.100 0.011 0.000 0.970 123 R CB -0.470 29.835 30.300 0.008 0.000 0.864 123 R HN 0.335 nan 8.270 nan 0.000 0.440 124 A N 1.055 123.883 122.820 0.013 0.000 2.076 124 A HA -0.069 4.251 4.320 -0.000 0.000 0.220 124 A C 2.013 179.606 177.584 0.015 0.000 1.160 124 A CA 1.638 53.682 52.037 0.012 0.000 0.653 124 A CB -0.254 18.752 19.000 0.011 0.000 0.801 124 A HN 0.374 nan 8.150 nan 0.000 0.455 125 A N -2.079 120.753 122.820 0.021 0.000 2.345 125 A HA 0.454 4.774 4.320 -0.000 0.000 0.225 125 A C 1.634 179.232 177.584 0.022 0.000 1.243 125 A CA 1.008 53.061 52.037 0.026 0.000 0.875 125 A CB -0.739 18.283 19.000 0.037 0.000 0.929 125 A HN 1.791 nan 8.150 nan 0.000 0.502 126 G N -1.069 107.741 108.800 0.017 0.000 2.176 126 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.253 126 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.253 126 G C 0.073 174.981 174.900 0.013 0.000 0.979 126 G CA 0.209 45.318 45.100 0.014 0.000 0.641 126 G HN 0.426 nan 8.290 nan 0.000 0.530 127 L N 0.576 121.807 121.223 0.014 0.000 2.397 127 L HA 0.507 4.846 4.340 -0.000 0.000 0.271 127 L C 1.136 178.011 176.870 0.009 0.000 1.148 127 L CA -0.736 54.112 54.840 0.012 0.000 0.825 127 L CB 0.901 42.968 42.059 0.014 0.000 1.117 127 L HN 0.335 nan 8.230 nan 0.000 0.456 128 R N 3.824 124.328 120.500 0.007 0.000 2.265 128 R HA 0.543 4.883 4.340 -0.000 0.000 0.314 128 R C -1.273 175.031 176.300 0.005 0.000 1.053 128 R CA -0.398 55.705 56.100 0.006 0.000 0.931 128 R CB 0.545 30.848 30.300 0.005 0.000 1.024 128 R HN 0.564 nan 8.270 nan 0.000 0.457 129 L N 3.925 125.151 121.223 0.005 0.000 2.322 129 L HA 0.536 4.875 4.340 -0.000 0.000 0.279 129 L C 0.403 177.283 176.870 0.017 0.000 1.036 129 L CA -1.261 53.581 54.840 0.004 0.000 0.807 129 L CB 1.733 43.787 42.059 -0.008 0.000 1.226 129 L HN 0.814 nan 8.230 nan 0.000 0.433 130 A N 1.710 124.553 122.820 0.037 0.000 2.511 130 A HA 0.443 4.763 4.320 -0.000 0.000 0.242 130 A C 1.221 178.855 177.584 0.082 0.000 1.069 130 A CA 0.704 52.789 52.037 0.080 0.000 0.763 130 A CB -0.050 19.055 19.000 0.175 0.000 1.001 130 A HN 1.165 nan 8.150 nan 0.000 0.498 131 G N 1.855 110.704 108.800 0.081 0.000 2.205 131 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.261 131 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.261 131 G C 0.044 174.965 174.900 0.034 0.000 0.980 131 G CA 0.448 45.587 45.100 0.065 0.000 0.632 131 G HN 0.853 nan 8.290 nan 0.000 0.533 132 D N 2.072 122.486 120.400 0.025 0.000 2.382 132 D HA 0.452 5.092 4.640 -0.000 0.000 0.240 132 D C -1.222 175.089 176.300 0.019 0.000 1.146 132 D CA -0.710 53.300 54.000 0.016 0.000 0.897 132 D CB 0.705 41.512 40.800 0.012 0.000 1.197 132 D HN 0.256 nan 8.370 nan 0.000 0.432 133 P HA 0.067 nan 4.420 nan 0.000 0.268 133 P C -0.457 176.852 177.300 0.014 0.000 1.205 133 P CA -0.238 62.870 63.100 0.014 0.000 0.771 133 P CB 0.679 32.386 31.700 0.011 0.000 0.858 134 S N 0.704 116.413 115.700 0.015 0.000 2.601 134 S HA 0.447 4.917 4.470 -0.000 0.000 0.271 134 S C 0.296 174.903 174.600 0.011 0.000 1.305 134 S CA -0.478 57.730 58.200 0.014 0.000 1.022 134 S CB 0.532 63.741 63.200 0.015 0.000 0.940 134 S HN 0.635 nan 8.310 nan 0.000 0.525 135 A N 2.425 125.250 122.820 0.009 0.000 2.484 135 A HA 0.541 4.861 4.320 -0.000 0.000 0.268 135 A C 1.350 178.938 177.584 0.007 0.000 1.114 135 A CA 0.289 52.330 52.037 0.008 0.000 0.780 135 A CB -1.306 17.698 19.000 0.007 0.000 1.061 135 A HN 1.435 nan 8.150 nan 0.000 0.505 136 G N 3.092 111.896 108.800 0.007 0.000 2.602 136 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.310 136 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.310 136 G C 0.119 175.023 174.900 0.007 0.000 1.183 136 G CA 1.153 46.257 45.100 0.006 0.000 0.979 136 G HN 1.707 nan 8.290 nan 0.000 0.545 137 D N 0.305 120.709 120.400 0.007 0.000 2.819 137 D HA 0.530 5.170 4.640 -0.000 0.000 0.326 137 D C 0.850 177.155 176.300 0.008 0.000 1.408 137 D CA 0.824 54.829 54.000 0.007 0.000 0.811 137 D CB 0.040 40.844 40.800 0.007 0.000 1.148 137 D HN 0.810 nan 8.370 nan 0.000 0.457 138 G N -0.014 108.790 108.800 0.008 0.000 2.653 138 G HA2 0.471 4.431 3.960 -0.000 0.000 0.265 138 G HA3 0.471 4.431 3.960 -0.000 0.000 0.265 138 G C 0.246 175.152 174.900 0.010 0.000 1.237 138 G CA -0.448 44.657 45.100 0.008 0.000 0.946 138 G HN 0.465 nan 8.290 nan 0.000 0.522 139 A N -0.723 122.103 122.820 0.010 0.000 2.386 139 A HA 0.612 4.932 4.320 -0.000 0.000 0.248 139 A C 0.977 178.569 177.584 0.014 0.000 1.082 139 A CA 0.314 52.358 52.037 0.012 0.000 0.789 139 A CB -0.020 18.986 19.000 0.011 0.000 1.025 139 A HN 1.911 nan 8.150 nan 0.000 0.490 140 A N 3.237 126.069 122.820 0.019 0.000 2.548 140 A HA 0.472 4.792 4.320 -0.000 0.000 0.247 140 A C -1.570 176.024 177.584 0.016 0.000 1.067 140 A CA -0.766 51.285 52.037 0.023 0.000 0.757 140 A CB -0.844 18.177 19.000 0.035 0.000 0.996 140 A HN 0.705 nan 8.150 nan 0.000 0.504 141 P HA 0.072 nan 4.420 nan 0.000 0.267 141 P C -0.040 177.255 177.300 -0.008 0.000 1.200 141 P CA -0.303 62.798 63.100 0.002 0.000 0.772 141 P CB 0.395 32.096 31.700 0.001 0.000 0.855 142 R N 1.410 121.905 120.500 -0.009 0.000 2.502 142 R HA 0.128 4.468 4.340 -0.000 0.000 0.292 142 R C -0.481 175.790 176.300 -0.048 0.000 0.998 142 R CA -0.103 55.986 56.100 -0.019 0.000 1.056 142 R CB 0.040 30.335 30.300 -0.008 0.000 0.939 142 R HN 0.246 nan 8.270 nan 0.000 0.411 143 V N 6.813 126.666 119.914 -0.102 0.000 2.488 143 V HA 0.159 4.279 4.120 -0.000 0.000 0.277 143 V C 1.187 177.226 176.094 -0.092 0.000 1.046 143 V CA 0.127 62.322 62.300 -0.175 0.000 0.986 143 V CB 1.336 32.834 31.823 -0.543 0.000 0.989 143 V HN 0.874 nan 8.190 nan 0.000 0.475 144 R N 2.699 123.169 120.500 -0.050 0.000 2.469 144 R HA 0.509 4.849 4.340 -0.000 0.000 0.250 144 R C 0.220 176.519 176.300 -0.000 0.000 0.909 144 R CA 0.289 56.379 56.100 -0.017 0.000 1.050 144 R CB 1.296 31.590 30.300 -0.009 0.000 1.256 144 R HN 0.689 nan 8.270 nan 0.000 0.550 145 A N 0.917 123.741 122.820 0.006 0.000 2.449 145 A HA 0.580 4.900 4.320 -0.000 0.000 0.302 145 A C -0.923 176.706 177.584 0.075 0.000 1.048 145 A CA -0.467 51.589 52.037 0.032 0.000 0.708 145 A CB 2.075 21.088 19.000 0.023 0.000 1.274 145 A HN -0.050 nan 8.150 nan 0.000 0.410 146 V N 2.641 122.621 119.914 0.110 0.000 2.370 146 V HA 0.435 4.555 4.120 -0.000 0.000 0.283 146 V C -0.667 175.504 176.094 0.129 0.000 1.023 146 V CA -0.391 62.025 62.300 0.194 0.000 0.857 146 V CB 1.128 33.095 31.823 0.241 0.000 0.985 146 V HN 0.770 nan 8.190 nan 0.000 0.443 147 L N 7.441 128.728 121.223 0.107 0.000 2.287 147 L HA 0.617 4.957 4.340 -0.000 0.000 0.287 147 L C -0.353 176.557 176.870 0.066 0.000 1.022 147 L CA 0.045 54.923 54.840 0.063 0.000 0.814 147 L CB 1.707 43.785 42.059 0.032 0.000 1.217 147 L HN 0.425 nan 8.230 nan 0.000 0.420 148 V N 5.856 125.813 119.914 0.073 0.000 2.348 148 V HA 0.786 4.906 4.120 -0.000 0.000 0.270 148 V C 0.772 176.900 176.094 0.056 0.000 1.037 148 V CA 0.002 62.345 62.300 0.072 0.000 0.872 148 V CB 0.325 32.190 31.823 0.069 0.000 1.002 148 V HN 0.926 nan 8.190 nan 0.000 0.464 149 G N 2.360 111.194 108.800 0.056 0.000 3.016 149 G HA2 0.442 4.402 3.960 -0.000 0.000 0.270 149 G HA3 0.442 4.402 3.960 -0.000 0.000 0.270 149 G C -1.234 173.723 174.900 0.095 0.000 1.352 149 G CA -0.846 44.302 45.100 0.081 0.000 1.060 149 G HN 0.547 nan 8.290 nan 0.000 0.538 150 Y N 1.338 121.647 120.300 0.015 0.000 2.680 150 Y HA 0.312 4.862 4.550 0.000 0.000 0.356 150 Y C -0.310 175.602 175.900 0.019 0.000 1.122 150 Y CA -0.424 57.682 58.100 0.011 0.000 1.509 150 Y CB 0.318 38.779 38.460 0.002 0.000 1.245 150 Y HN 0.256 nan 8.280 nan 0.000 0.513 151 D N 5.190 125.421 120.400 -0.281 0.000 2.454 151 D HA 0.120 4.760 4.640 -0.000 0.000 0.225 151 D C 0.520 176.632 176.300 -0.313 0.000 1.081 151 D CA -0.179 53.718 54.000 -0.172 0.000 0.864 151 D CB 0.799 41.633 40.800 0.056 0.000 1.040 151 D HN 0.743 nan 8.370 nan 0.000 0.517 152 E N 1.338 121.284 120.200 -0.423 0.000 2.338 152 E HA -0.115 4.235 4.350 -0.000 0.000 0.197 152 E C 0.383 176.698 176.600 -0.476 0.000 1.007 152 E CA 0.655 56.772 56.400 -0.471 0.000 0.849 152 E CB 0.265 29.695 29.700 -0.450 0.000 0.774 152 E HN 0.530 nan 8.360 nan 0.000 0.506 153 H N -0.943 118.132 119.070 0.008 0.000 2.488 153 H HA 0.069 4.627 4.556 0.003 0.000 0.294 153 H C -0.384 174.989 175.328 0.075 0.000 1.088 153 H CA -0.406 55.665 56.048 0.039 0.000 1.086 153 H CB -0.572 29.202 29.762 0.021 0.000 1.569 153 H HN 0.059 nan 8.280 nan 0.000 0.548 154 F N 3.201 123.149 119.950 -0.003 0.000 2.602 154 F HA 0.108 4.635 4.527 0.001 0.000 0.367 154 F C 0.643 176.479 175.800 0.058 0.000 1.126 154 F CA 0.029 58.039 58.000 0.017 0.000 1.321 154 F CB 0.593 39.577 39.000 -0.026 0.000 1.094 154 F HN 0.084 nan 8.300 nan 0.000 0.594 155 S N 5.299 120.699 115.700 -0.499 0.000 2.579 155 S HA 0.310 4.780 4.470 -0.000 0.000 0.272 155 S C 0.197 174.551 174.600 -0.410 0.000 1.141 155 S CA -0.817 57.231 58.200 -0.253 0.000 0.843 155 S CB 0.774 63.932 63.200 -0.071 0.000 1.122 155 S HN 0.706 nan 8.310 nan 0.000 0.468 156 F N 1.879 121.677 119.950 -0.254 0.000 2.202 156 F HA 0.012 4.539 4.527 -0.001 0.000 0.301 156 F C 2.352 178.050 175.800 -0.170 0.000 1.082 156 F CA 1.987 59.877 58.000 -0.183 0.000 1.313 156 F CB -0.638 38.319 39.000 -0.072 0.000 1.024 156 F HN 0.837 nan 8.300 nan 0.000 0.495 157 A N 0.245 123.098 122.820 0.055 0.000 1.873 157 A HA -0.195 4.125 4.320 -0.000 0.000 0.215 157 A C 2.240 179.769 177.584 -0.092 0.000 1.186 157 A CA 1.802 53.842 52.037 0.004 0.000 0.616 157 A CB -0.633 18.393 19.000 0.044 0.000 0.823 157 A HN 0.437 nan 8.150 nan 0.000 0.442 158 K N -0.781 119.551 120.400 -0.112 0.000 2.097 158 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 158 K C 1.894 178.438 176.600 -0.094 0.000 1.049 158 K CA 1.362 57.637 56.287 -0.020 0.000 0.933 158 K CB -0.387 32.079 32.500 -0.056 0.000 0.717 158 K HN 0.390 nan 8.250 nan 0.000 0.442 159 L N 1.613 122.628 121.223 -0.348 0.000 2.046 159 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 159 L C 2.338 179.045 176.870 -0.272 0.000 1.077 159 L CA 1.669 56.346 54.840 -0.271 0.000 0.747 159 L CB -0.385 41.462 42.059 -0.353 0.000 0.896 159 L HN 0.054 nan 8.230 nan 0.000 0.432 160 R N -0.577 119.694 120.500 -0.381 0.000 2.081 160 R HA -0.205 4.135 4.340 -0.000 0.000 0.235 160 R C 2.346 178.477 176.300 -0.282 0.000 1.131 160 R CA 1.843 57.746 56.100 -0.329 0.000 0.960 160 R CB -0.282 29.851 30.300 -0.279 0.000 0.856 160 R HN 0.580 nan 8.270 nan 0.000 0.436 161 E N -0.327 119.698 120.200 -0.293 0.000 2.072 161 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 161 E C 1.788 177.976 176.600 -0.686 0.000 0.985 161 E CA 1.040 57.144 56.400 -0.493 0.000 0.801 161 E CB -0.058 29.370 29.700 -0.453 0.000 0.750 161 E HN 0.454 nan 8.360 nan 0.000 0.452 162 A N 0.416 122.993 122.820 -0.406 0.000 1.940 162 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 162 A C 2.420 179.918 177.584 -0.142 0.000 1.176 162 A CA 1.567 53.496 52.037 -0.179 0.000 0.631 162 A CB -0.838 18.273 19.000 0.185 0.000 0.814 162 A HN 0.492 nan 8.150 nan 0.000 0.446 163 C N -1.243 117.960 119.300 -0.162 0.000 2.450 163 C HA 0.199 4.659 4.460 -0.000 0.000 0.279 163 C C 3.268 178.169 174.990 -0.149 0.000 1.335 163 C CA 0.307 59.254 59.018 -0.119 0.000 1.749 163 C CB -1.321 26.352 27.740 -0.112 0.000 1.963 163 C HN 0.715 nan 8.230 nan 0.000 0.501 164 A N 0.787 123.456 122.820 -0.251 0.000 1.865 164 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 164 A C 1.930 179.379 177.584 -0.224 0.000 1.191 164 A CA 1.904 53.780 52.037 -0.269 0.000 0.623 164 A CB -0.926 17.844 19.000 -0.383 0.000 0.826 164 A HN 0.707 nan 8.150 nan 0.000 0.444 165 H N -0.368 118.599 119.070 -0.172 0.000 2.387 165 H HA -0.039 4.517 4.556 -0.001 0.000 0.299 165 H C 1.850 177.136 175.328 -0.070 0.000 1.099 165 H CA 1.554 57.524 56.048 -0.130 0.000 1.315 165 H CB -0.433 29.226 29.762 -0.172 0.000 1.380 165 H HN 0.440 nan 8.280 nan 0.000 0.513 166 L N 0.379 121.626 121.223 0.041 0.000 2.554 166 L HA -0.021 4.319 4.340 -0.000 0.000 0.226 166 L C 2.330 179.205 176.870 0.008 0.000 1.137 166 L CA 0.029 54.887 54.840 0.031 0.000 0.863 166 L CB 0.013 42.088 42.059 0.027 0.000 0.985 166 L HN 0.019 nan 8.230 nan 0.000 0.451 167 R N 0.125 120.619 120.500 -0.011 0.000 2.105 167 R HA -0.124 4.216 4.340 -0.000 0.000 0.239 167 R C 0.574 176.874 176.300 0.000 0.000 1.135 167 R CA 0.756 56.848 56.100 -0.013 0.000 0.967 167 R CB -0.851 29.432 30.300 -0.027 0.000 0.861 167 R HN 0.248 nan 8.270 nan 0.000 0.442 168 D N 1.911 122.317 120.400 0.011 0.000 2.363 168 D HA -0.007 4.633 4.640 -0.000 0.000 0.263 168 D C -1.484 174.824 176.300 0.014 0.000 1.258 168 D CA -1.787 52.221 54.000 0.014 0.000 0.907 168 D CB 1.124 41.937 40.800 0.022 0.000 1.107 168 D HN 0.028 nan 8.370 nan 0.000 0.495 169 P HA -0.044 nan 4.420 nan 0.000 0.237 169 P C 0.473 177.779 177.300 0.011 0.000 1.178 169 P CA 0.439 63.545 63.100 0.010 0.000 0.766 169 P CB 0.564 32.268 31.700 0.007 0.000 0.876 170 E N -0.871 119.335 120.200 0.010 0.000 2.442 170 E HA -0.001 4.348 4.350 -0.000 0.000 0.195 170 E C 0.530 177.137 176.600 0.010 0.000 1.030 170 E CA -0.103 56.303 56.400 0.009 0.000 0.869 170 E CB -0.994 28.710 29.700 0.007 0.000 0.857 170 E HN 0.162 nan 8.360 nan 0.000 0.505 171 C N 2.700 122.010 119.300 0.016 0.000 2.555 171 C HA 0.178 4.638 4.460 -0.000 0.000 0.385 171 C C 0.359 175.363 174.990 0.024 0.000 1.296 171 C CA -0.990 58.041 59.018 0.020 0.000 1.757 171 C CB -1.256 26.504 27.740 0.033 0.000 2.445 171 C HN 0.093 nan 8.230 nan 0.000 0.571 172 L N 6.078 127.313 121.223 0.019 0.000 2.485 172 L HA 0.255 4.595 4.340 -0.000 0.000 0.275 172 L C 0.178 177.068 176.870 0.034 0.000 1.207 172 L CA 0.494 55.345 54.840 0.018 0.000 0.855 172 L CB 0.422 42.485 42.059 0.008 0.000 1.114 172 L HN 0.627 nan 8.230 nan 0.000 0.485 173 L N 4.772 126.013 121.223 0.031 0.000 2.305 173 L HA 0.626 4.966 4.340 -0.000 0.000 0.284 173 L C -0.720 176.168 176.870 0.029 0.000 1.013 173 L CA -0.107 54.759 54.840 0.043 0.000 0.819 173 L CB 1.493 43.578 42.059 0.044 0.000 1.227 173 L HN 0.277 nan 8.230 nan 0.000 0.417 174 V N 4.385 124.320 119.914 0.036 0.000 2.656 174 V HA 0.890 5.010 4.120 -0.000 0.000 0.307 174 V C -0.114 176.000 176.094 0.035 0.000 1.051 174 V CA -0.495 61.817 62.300 0.020 0.000 0.893 174 V CB 1.606 33.430 31.823 0.001 0.000 0.999 174 V HN 0.946 nan 8.190 nan 0.000 0.426 175 A N 2.093 124.931 122.820 0.030 0.000 2.342 175 A HA 0.643 4.963 4.320 -0.000 0.000 0.323 175 A C 1.050 178.661 177.584 0.045 0.000 1.125 175 A CA 0.196 52.256 52.037 0.039 0.000 0.785 175 A CB 1.451 20.471 19.000 0.034 0.000 1.221 175 A HN 1.045 nan 8.150 nan 0.000 0.463 176 T N -0.440 114.147 114.554 0.055 0.000 2.746 176 T HA -0.030 4.320 4.350 -0.000 0.000 0.267 176 T C 0.433 175.171 174.700 0.064 0.000 1.039 176 T CA 1.630 63.771 62.100 0.067 0.000 1.142 176 T CB -0.532 68.381 68.868 0.075 0.000 0.866 176 T HN 0.866 nan 8.240 nan 0.000 0.444 177 D N -1.024 119.409 120.400 0.056 0.000 2.692 177 D HA 0.209 4.849 4.640 -0.000 0.000 0.290 177 D C -0.682 175.637 176.300 0.031 0.000 1.281 177 D CA -0.919 53.106 54.000 0.042 0.000 0.804 177 D CB 1.252 42.078 40.800 0.045 0.000 1.331 177 D HN 0.032 nan 8.370 nan 0.000 0.432 178 R N -0.283 120.222 120.500 0.008 0.000 2.586 178 R HA 0.155 4.495 4.340 -0.000 0.000 0.336 178 R C -0.808 175.461 176.300 -0.053 0.000 1.060 178 R CA -0.499 55.594 56.100 -0.012 0.000 1.079 178 R CB 0.188 30.479 30.300 -0.015 0.000 1.317 178 R HN 0.292 nan 8.270 nan 0.000 0.568 179 D N 2.445 122.813 120.400 -0.052 0.000 2.434 179 D HA -0.008 4.632 4.640 -0.000 0.000 0.252 179 D C -1.339 174.830 176.300 -0.218 0.000 1.185 179 D CA -1.538 52.355 54.000 -0.180 0.000 0.886 179 D CB 1.239 41.956 40.800 -0.139 0.000 1.148 179 D HN 0.034 nan 8.370 nan 0.000 0.483 180 P HA -0.018 nan 4.420 nan 0.000 0.218 180 P C 0.070 177.335 177.300 -0.060 0.000 1.152 180 P CA 0.914 63.910 63.100 -0.175 0.000 0.826 180 P CB 0.245 31.841 31.700 -0.174 0.000 0.790 181 W N -2.583 118.568 121.300 -0.248 0.000 2.982 181 W HA 0.405 5.064 4.660 -0.001 0.000 0.344 181 W C -1.540 174.691 176.519 -0.479 0.000 1.215 181 W CA -0.515 56.700 57.345 -0.216 0.000 1.182 181 W CB 0.225 29.641 29.460 -0.073 0.000 1.437 181 W HN -0.207 nan 8.180 nan 0.000 0.570 182 H N 1.139 120.502 119.070 0.488 0.000 2.782 182 H HA 0.316 4.872 4.556 -0.000 0.000 0.347 182 H C -2.463 173.090 175.328 0.375 0.000 1.038 182 H CA -1.550 54.679 56.048 0.303 0.000 1.255 182 H CB 2.806 32.631 29.762 0.105 0.000 1.623 182 H HN -0.139 nan 8.280 nan 0.000 0.525 183 P HA 0.152 nan 4.420 nan 0.000 0.276 183 P C -0.055 177.364 177.300 0.198 0.000 1.230 183 P CA -0.176 63.110 63.100 0.310 0.000 0.776 183 P CB 1.441 33.322 31.700 0.302 0.000 0.888 184 L N 1.928 123.232 121.223 0.133 0.000 2.358 184 L HA 0.216 4.556 4.340 -0.000 0.000 0.268 184 L C 2.169 179.080 176.870 0.069 0.000 1.032 184 L CA -0.424 54.471 54.840 0.090 0.000 0.805 184 L CB 1.445 43.547 42.059 0.072 0.000 1.253 184 L HN 0.408 nan 8.230 nan 0.000 0.452 185 S N -0.221 115.509 115.700 0.051 0.000 2.359 185 S HA -0.207 4.263 4.470 -0.000 0.000 0.224 185 S C 1.074 175.694 174.600 0.034 0.000 1.035 185 S CA 1.366 59.591 58.200 0.042 0.000 1.018 185 S CB -0.537 62.680 63.200 0.028 0.000 0.876 185 S HN 0.854 nan 8.310 nan 0.000 0.448 186 D N 1.183 121.599 120.400 0.027 0.000 2.368 186 D HA 0.230 4.870 4.640 -0.000 0.000 0.250 186 D C 1.372 177.681 176.300 0.016 0.000 1.142 186 D CA 0.647 54.659 54.000 0.019 0.000 0.925 186 D CB -1.030 39.779 40.800 0.016 0.000 0.896 186 D HN 0.673 nan 8.370 nan 0.000 0.525 187 G N -0.246 108.567 108.800 0.022 0.000 2.212 187 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.266 187 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.266 187 G C 0.539 175.433 174.900 -0.009 0.000 0.978 187 G CA 0.740 45.845 45.100 0.009 0.000 0.632 187 G HN 0.904 nan 8.290 nan 0.000 0.537 188 S N -0.211 115.489 115.700 0.000 0.000 2.624 188 S HA 0.772 5.242 4.470 -0.000 0.000 0.263 188 S C 0.326 174.927 174.600 0.002 0.000 1.287 188 S CA -0.304 57.889 58.200 -0.012 0.000 0.990 188 S CB 1.413 64.615 63.200 0.003 0.000 0.950 188 S HN 0.625 nan 8.310 nan 0.000 0.561 189 R N -0.254 120.235 120.500 -0.018 0.000 2.740 189 R HA 0.594 4.934 4.340 -0.000 0.000 0.282 189 R C -0.800 175.563 176.300 0.105 0.000 0.969 189 R CA -0.682 55.436 56.100 0.030 0.000 0.918 189 R CB 1.868 32.064 30.300 -0.173 0.000 1.175 189 R HN 0.722 nan 8.270 nan 0.000 0.464 190 T N 2.312 116.999 114.554 0.222 0.000 2.823 190 T HA 0.427 4.777 4.350 -0.000 0.000 0.279 190 T C -2.523 172.366 174.700 0.315 0.000 0.998 190 T CA -2.425 59.824 62.100 0.247 0.000 0.994 190 T CB 1.339 70.374 68.868 0.279 0.000 0.960 190 T HN 0.214 nan 8.240 nan 0.000 0.448 191 P HA 0.294 nan 4.420 nan 0.000 0.268 191 P C -0.006 177.481 177.300 0.311 0.000 1.204 191 P CA -0.078 63.154 63.100 0.220 0.000 0.768 191 P CB 0.456 32.213 31.700 0.095 0.000 0.842 192 G N 1.115 110.068 108.800 0.254 0.000 2.531 192 G HA2 0.271 4.231 3.960 -0.000 0.000 0.313 192 G HA3 0.271 4.231 3.960 -0.000 0.000 0.313 192 G C 0.899 175.898 174.900 0.164 0.000 1.238 192 G CA -0.372 44.914 45.100 0.311 0.000 0.994 192 G HN 0.344 nan 8.290 nan 0.000 0.493 193 T N 0.458 115.136 114.554 0.208 0.000 2.803 193 T HA -0.124 4.226 4.350 -0.000 0.000 0.269 193 T C 2.510 177.213 174.700 0.005 0.000 1.052 193 T CA 1.826 63.977 62.100 0.085 0.000 1.136 193 T CB -0.442 68.504 68.868 0.131 0.000 0.864 193 T HN 0.633 nan 8.240 nan 0.000 0.467 194 G N 1.373 110.179 108.800 0.011 0.000 2.450 194 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 194 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 194 G C 1.887 176.768 174.900 -0.030 0.000 1.130 194 G CA 1.369 46.460 45.100 -0.016 0.000 0.760 194 G HN 0.649 nan 8.290 nan 0.000 0.557 195 S N 0.468 116.147 115.700 -0.036 0.000 2.387 195 S HA 0.043 4.512 4.470 -0.000 0.000 0.226 195 S C 2.335 176.842 174.600 -0.156 0.000 1.026 195 S CA 0.988 59.154 58.200 -0.056 0.000 0.972 195 S CB -0.349 62.839 63.200 -0.020 0.000 0.814 195 S HN 0.310 nan 8.310 nan 0.000 0.477 196 L N 1.313 122.375 121.223 -0.269 0.000 2.109 196 L HA 0.137 4.477 4.340 -0.000 0.000 0.207 196 L C 3.196 179.925 176.870 -0.234 0.000 1.086 196 L CA 0.978 55.507 54.840 -0.518 0.000 0.760 196 L CB -0.910 40.728 42.059 -0.701 0.000 0.910 196 L HN 0.438 nan 8.230 nan 0.000 0.437 197 A N 0.528 123.283 122.820 -0.108 0.000 1.933 197 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 197 A C 2.582 180.159 177.584 -0.011 0.000 1.175 197 A CA 1.660 53.682 52.037 -0.026 0.000 0.628 197 A CB -0.643 18.355 19.000 -0.003 0.000 0.814 197 A HN 0.374 nan 8.150 nan 0.000 0.444 198 A N -0.082 122.724 122.820 -0.023 0.000 1.902 198 A HA 0.142 4.462 4.320 -0.000 0.000 0.217 198 A C 2.494 180.085 177.584 0.013 0.000 1.181 198 A CA 2.102 54.139 52.037 -0.001 0.000 0.623 198 A CB -0.974 18.027 19.000 0.001 0.000 0.818 198 A HN 1.029 nan 8.150 nan 0.000 0.443 199 A N -0.494 122.329 122.820 0.005 0.000 1.877 199 A HA -0.004 4.316 4.320 -0.000 0.000 0.216 199 A C 2.234 179.868 177.584 0.084 0.000 1.186 199 A CA 1.840 53.914 52.037 0.061 0.000 0.620 199 A CB -0.988 18.078 19.000 0.111 0.000 0.822 199 A HN 0.421 nan 8.150 nan 0.000 0.443 200 V N 0.086 120.056 119.914 0.094 0.000 2.295 200 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 200 V C 2.386 178.514 176.094 0.057 0.000 1.049 200 V CA 2.308 64.667 62.300 0.100 0.000 1.024 200 V CB -0.979 30.922 31.823 0.130 0.000 0.648 200 V HN 0.629 nan 8.190 nan 0.000 0.447 201 E N 0.032 120.258 120.200 0.043 0.000 2.118 201 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 201 E C 2.300 178.916 176.600 0.026 0.000 0.992 201 E CA 1.872 58.291 56.400 0.031 0.000 0.804 201 E CB -0.248 29.467 29.700 0.025 0.000 0.741 201 E HN 0.640 nan 8.360 nan 0.000 0.458 202 T N 0.622 115.193 114.554 0.029 0.000 2.737 202 T HA -0.102 4.248 4.350 -0.000 0.000 0.265 202 T C 2.006 176.718 174.700 0.020 0.000 1.038 202 T CA 1.171 63.287 62.100 0.026 0.000 1.144 202 T CB -0.190 68.697 68.868 0.032 0.000 0.866 202 T HN 0.225 nan 8.240 nan 0.000 0.434 203 A N 1.719 124.550 122.820 0.018 0.000 2.015 203 A HA -0.036 4.284 4.320 -0.000 0.000 0.219 203 A C 2.494 180.071 177.584 -0.011 0.000 1.163 203 A CA 1.843 53.878 52.037 -0.004 0.000 0.646 203 A CB -0.577 18.404 19.000 -0.032 0.000 0.806 203 A HN 0.578 nan 8.150 nan 0.000 0.448 204 S N -2.337 113.363 115.700 -0.000 0.000 2.503 204 S HA 0.370 4.840 4.470 -0.000 0.000 0.217 204 S C 1.496 176.099 174.600 0.004 0.000 0.999 204 S CA 1.148 59.347 58.200 -0.002 0.000 0.914 204 S CB -0.230 62.975 63.200 0.008 0.000 0.782 204 S HN 1.872 nan 8.310 nan 0.000 0.520 205 G N 1.787 110.593 108.800 0.009 0.000 2.153 205 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.252 205 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.252 205 G C 0.090 174.997 174.900 0.012 0.000 0.994 205 G CA 0.205 45.311 45.100 0.010 0.000 0.698 205 G HN 0.535 nan 8.290 nan 0.000 0.521 206 R N -0.436 120.074 120.500 0.016 0.000 2.674 206 R HA 0.568 4.907 4.340 -0.000 0.000 0.266 206 R C -0.118 176.193 176.300 0.019 0.000 1.016 206 R CA -0.670 55.441 56.100 0.017 0.000 1.062 206 R CB 0.765 31.078 30.300 0.021 0.000 1.142 206 R HN 0.266 nan 8.270 nan 0.000 0.517 207 Q N 0.562 120.373 119.800 0.017 0.000 2.307 207 Q HA 0.405 4.745 4.340 -0.000 0.000 0.262 207 Q C -0.651 175.360 176.000 0.019 0.000 0.961 207 Q CA -0.525 55.288 55.803 0.018 0.000 0.882 207 Q CB 2.273 31.020 28.738 0.015 0.000 1.264 207 Q HN 0.664 nan 8.270 nan 0.000 0.446 208 A N 3.276 126.109 122.820 0.022 0.000 2.407 208 A HA 0.240 4.560 4.320 -0.000 0.000 0.248 208 A C -0.133 177.461 177.584 0.016 0.000 1.082 208 A CA -0.356 51.694 52.037 0.022 0.000 0.785 208 A CB 0.240 19.256 19.000 0.027 0.000 1.020 208 A HN 0.811 nan 8.150 nan 0.000 0.489 209 L N 3.473 124.701 121.223 0.007 0.000 2.361 209 L HA 0.395 4.734 4.340 -0.000 0.000 0.278 209 L C -0.727 176.144 176.870 0.002 0.000 1.113 209 L CA -0.422 54.415 54.840 -0.005 0.000 0.849 209 L CB 0.669 42.709 42.059 -0.032 0.000 1.155 209 L HN 0.460 nan 8.230 nan 0.000 0.452 210 V N 6.397 126.324 119.914 0.021 0.000 2.439 210 V HA 0.151 4.271 4.120 -0.000 0.000 0.282 210 V C 0.880 177.019 176.094 0.075 0.000 1.039 210 V CA -0.454 61.872 62.300 0.043 0.000 0.913 210 V CB 1.530 33.383 31.823 0.049 0.000 0.983 210 V HN 0.748 nan 8.190 nan 0.000 0.460 211 V N 3.738 123.706 119.914 0.090 0.000 2.374 211 V HA 0.158 4.278 4.120 -0.000 0.000 0.241 211 V C 1.590 177.813 176.094 0.216 0.000 1.034 211 V CA 1.597 64.011 62.300 0.189 0.000 1.037 211 V CB -0.400 31.522 31.823 0.165 0.000 0.682 211 V HN 0.951 nan 8.190 nan 0.000 0.463 212 G N -0.184 108.679 108.800 0.106 0.000 2.616 212 G HA2 0.240 4.200 3.960 -0.000 0.000 0.268 212 G HA3 0.240 4.200 3.960 -0.000 0.000 0.268 212 G C -0.307 174.564 174.900 -0.048 0.000 1.213 212 G CA -0.521 44.590 45.100 0.019 0.000 0.926 212 G HN 0.402 nan 8.290 nan 0.000 0.523 213 K N 0.951 121.199 120.400 -0.254 0.000 2.527 213 K HA 0.050 4.370 4.320 -0.000 0.000 0.278 213 K C -1.662 174.892 176.600 -0.077 0.000 0.981 213 K CA -0.560 55.519 56.287 -0.346 0.000 1.009 213 K CB 0.840 32.980 32.500 -0.600 0.000 0.895 213 K HN 0.247 nan 8.250 nan 0.000 0.493 214 P HA -0.020 nan 4.420 nan 0.000 0.255 214 P C -0.301 177.193 177.300 0.323 0.000 1.357 214 P CA 0.090 63.317 63.100 0.212 0.000 0.839 214 P CB 0.399 32.186 31.700 0.144 0.000 1.356 215 S N 1.908 117.751 115.700 0.238 0.000 2.549 215 S HA 0.170 4.640 4.470 -0.000 0.000 0.283 215 S C -1.320 173.514 174.600 0.390 0.000 1.320 215 S CA -1.102 57.248 58.200 0.249 0.000 1.058 215 S CB 0.396 63.719 63.200 0.205 0.000 0.882 215 S HN -0.028 nan 8.310 nan 0.000 0.498 216 P HA -0.047 nan 4.420 nan 0.000 0.223 216 P C 0.910 178.381 177.300 0.284 0.000 1.151 216 P CA 0.624 63.855 63.100 0.219 0.000 0.787 216 P CB -0.078 31.681 31.700 0.099 0.000 0.788 217 Y N 0.291 120.705 120.300 0.190 0.000 2.256 217 Y HA -0.233 4.317 4.550 -0.000 0.000 0.288 217 Y C 2.253 178.260 175.900 0.177 0.000 1.155 217 Y CA 1.523 59.715 58.100 0.153 0.000 1.203 217 Y CB -0.743 37.780 38.460 0.105 0.000 0.980 217 Y HN -0.165 nan 8.280 nan 0.000 0.530 218 M N -0.920 118.738 119.600 0.097 0.000 2.202 218 M HA -0.186 4.294 4.480 -0.000 0.000 0.262 218 M C 1.795 178.121 176.300 0.043 0.000 1.063 218 M CA 1.673 56.984 55.300 0.019 0.000 1.097 218 M CB -0.869 31.750 32.600 0.031 0.000 1.382 218 M HN 0.375 nan 8.290 nan 0.000 0.413 219 F N 0.511 120.514 119.950 0.087 0.000 2.163 219 F HA -0.095 4.432 4.527 -0.000 0.000 0.297 219 F C 2.015 177.701 175.800 -0.190 0.000 1.094 219 F CA 1.710 59.683 58.000 -0.046 0.000 1.290 219 F CB -0.353 38.569 39.000 -0.129 0.000 1.017 219 F HN 0.232 nan 8.300 nan 0.000 0.483 220 E N -0.816 119.279 120.200 -0.174 0.000 2.058 220 E HA -0.314 4.036 4.350 -0.000 0.000 0.194 220 E C 2.442 178.810 176.600 -0.387 0.000 0.997 220 E CA 1.540 57.778 56.400 -0.270 0.000 0.801 220 E CB -0.771 28.814 29.700 -0.191 0.000 0.746 220 E HN 0.516 nan 8.360 nan 0.000 0.450 221 c N 0.869 119.130 118.600 -0.564 0.000 2.393 221 c HA -0.183 4.387 4.570 -0.000 0.000 0.276 221 c C 2.618 176.491 174.090 -0.362 0.000 1.215 221 c CA 0.884 56.982 56.329 -0.384 0.000 1.743 221 c CB -0.995 41.297 42.510 -0.363 0.000 2.044 221 c HN 0.374 nan 8.230 nan 0.000 0.464 222 I N 1.121 121.287 120.570 -0.674 0.000 2.264 222 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 222 I C 2.283 178.048 176.117 -0.587 0.000 1.111 222 I CA 2.187 62.803 61.300 -1.141 0.000 1.382 222 I CB -0.491 36.862 38.000 -1.077 0.000 1.060 222 I HN 0.607 nan 8.210 nan 0.000 0.418 223 T N -3.182 111.057 114.554 -0.525 0.000 3.206 223 T HA 0.074 4.424 4.350 -0.000 0.000 0.253 223 T C 1.296 175.893 174.700 -0.172 0.000 1.042 223 T CA -0.071 61.814 62.100 -0.357 0.000 0.931 223 T CB 0.073 68.626 68.868 -0.525 0.000 1.029 223 T HN 0.402 nan 8.240 nan 0.000 0.564 224 E N 1.743 121.871 120.200 -0.119 0.000 2.086 224 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 224 E C 1.565 178.157 176.600 -0.014 0.000 0.975 224 E CA 0.792 57.169 56.400 -0.040 0.000 0.813 224 E CB -0.052 29.647 29.700 -0.001 0.000 0.768 224 E HN 0.671 nan 8.360 nan 0.000 0.457 225 N N -1.308 117.427 118.700 0.058 0.000 2.412 225 N HA 0.099 4.839 4.740 -0.000 0.000 0.184 225 N C -0.950 174.337 175.510 -0.370 0.000 1.101 225 N CA 0.145 53.166 53.050 -0.048 0.000 0.881 225 N CB 0.476 39.074 38.487 0.185 0.000 0.969 225 N HN -0.030 nan 8.380 nan 0.000 0.459 226 F N -0.880 119.039 119.950 -0.051 0.000 2.635 226 F HA 0.224 4.751 4.527 -0.000 0.000 0.314 226 F C -0.329 175.402 175.800 -0.115 0.000 1.119 226 F CA -1.235 56.725 58.000 -0.066 0.000 1.000 226 F CB 1.534 40.493 39.000 -0.069 0.000 1.278 226 F HN -0.335 nan 8.300 nan 0.000 0.446 227 S N 4.478 120.233 115.700 0.092 0.000 2.499 227 S HA 0.774 5.244 4.470 -0.000 0.000 0.275 227 S C -0.672 173.948 174.600 0.034 0.000 1.257 227 S CA -0.365 57.852 58.200 0.027 0.000 1.050 227 S CB -0.101 63.109 63.200 0.017 0.000 0.937 227 S HN 0.563 nan 8.310 nan 0.000 0.490 228 I N 1.288 121.846 120.570 -0.019 0.000 2.619 228 I HA 0.550 4.720 4.170 -0.000 0.000 0.292 228 I C -1.203 174.944 176.117 0.050 0.000 1.100 228 I CA -0.980 60.320 61.300 -0.000 0.000 1.043 228 I CB 2.130 40.108 38.000 -0.037 0.000 1.239 228 I HN 0.368 nan 8.210 nan 0.000 0.420 229 D N 8.215 128.637 120.400 0.036 0.000 2.365 229 D HA 0.317 4.957 4.640 -0.000 0.000 0.237 229 D C -1.579 174.734 176.300 0.022 0.000 1.190 229 D CA -2.420 51.597 54.000 0.029 0.000 0.867 229 D CB 1.580 42.381 40.800 0.000 0.000 1.050 229 D HN 0.375 nan 8.370 nan 0.000 0.491 230 P HA -0.100 nan 4.420 nan 0.000 0.221 230 P C 1.039 178.256 177.300 -0.138 0.000 1.150 230 P CA 0.585 63.642 63.100 -0.073 0.000 0.800 230 P CB 0.222 31.776 31.700 -0.244 0.000 0.787 231 A N 0.356 123.114 122.820 -0.104 0.000 2.019 231 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 231 A C 1.996 179.523 177.584 -0.096 0.000 1.164 231 A CA 1.227 53.200 52.037 -0.106 0.000 0.644 231 A CB -0.660 18.296 19.000 -0.075 0.000 0.805 231 A HN 0.014 nan 8.150 nan 0.000 0.449 232 R N -0.023 120.432 120.500 -0.075 0.000 2.507 232 R HA 0.181 4.521 4.340 -0.000 0.000 0.298 232 R C -0.745 175.507 176.300 -0.079 0.000 0.999 232 R CA 0.201 56.261 56.100 -0.068 0.000 1.082 232 R CB -0.290 29.983 30.300 -0.044 0.000 1.246 232 R HN 0.337 nan 8.270 nan 0.000 0.553 233 T N 1.515 116.007 114.554 -0.103 0.000 2.824 233 T HA 0.517 4.867 4.350 -0.000 0.000 0.282 233 T C 0.105 174.708 174.700 -0.160 0.000 0.993 233 T CA -0.521 61.510 62.100 -0.115 0.000 0.967 233 T CB 2.096 70.921 68.868 -0.071 0.000 0.960 233 T HN -0.048 nan 8.240 nan 0.000 0.441 234 L N 3.044 124.161 121.223 -0.177 0.000 2.334 234 L HA 0.668 5.008 4.340 -0.000 0.000 0.277 234 L C -0.104 176.624 176.870 -0.237 0.000 1.075 234 L CA -0.946 53.773 54.840 -0.202 0.000 0.804 234 L CB 1.041 42.980 42.059 -0.200 0.000 1.174 234 L HN 0.498 nan 8.230 nan 0.000 0.438 235 M N 3.926 123.406 119.600 -0.200 0.000 2.125 235 M HA 0.461 4.941 4.480 -0.000 0.000 0.321 235 M C -1.386 174.829 176.300 -0.142 0.000 0.983 235 M CA -0.256 54.947 55.300 -0.161 0.000 0.934 235 M CB 1.400 33.949 32.600 -0.085 0.000 1.542 235 M HN 0.229 nan 8.290 nan 0.000 0.424 236 V N 5.212 125.001 119.914 -0.209 0.000 2.384 236 V HA 0.983 5.103 4.120 -0.000 0.000 0.287 236 V C 0.387 176.474 176.094 -0.010 0.000 1.020 236 V CA -0.313 61.911 62.300 -0.126 0.000 0.850 236 V CB 0.877 32.551 31.823 -0.247 0.000 0.987 236 V HN 0.990 nan 8.190 nan 0.000 0.436 237 G N 2.686 111.506 108.800 0.033 0.000 2.682 237 G HA2 0.552 4.512 3.960 -0.000 0.000 0.290 237 G HA3 0.552 4.512 3.960 -0.000 0.000 0.290 237 G C -0.444 174.486 174.900 0.050 0.000 1.425 237 G CA -0.019 45.106 45.100 0.041 0.000 0.807 237 G HN 0.578 nan 8.290 nan 0.000 0.482 238 D N -1.476 118.945 120.400 0.036 0.000 2.433 238 D HA 0.103 4.743 4.640 -0.000 0.000 0.211 238 D C 0.588 176.907 176.300 0.033 0.000 1.114 238 D CA -0.199 53.827 54.000 0.043 0.000 0.837 238 D CB 1.108 41.930 40.800 0.037 0.000 0.984 238 D HN 0.278 nan 8.370 nan 0.000 0.505 239 R N 0.827 121.338 120.500 0.018 0.000 2.507 239 R HA 0.350 4.690 4.340 -0.000 0.000 0.298 239 R C 0.873 177.177 176.300 0.007 0.000 1.087 239 R CA -0.442 55.654 56.100 -0.006 0.000 0.917 239 R CB 1.202 31.470 30.300 -0.054 0.000 1.173 239 R HN -0.123 nan 8.270 nan 0.000 0.472 240 L N 2.506 123.745 121.223 0.027 0.000 2.046 240 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 240 L C 1.170 178.030 176.870 -0.018 0.000 1.077 240 L CA 1.488 56.345 54.840 0.029 0.000 0.747 240 L CB -0.003 42.100 42.059 0.074 0.000 0.896 240 L HN 0.631 nan 8.230 nan 0.000 0.432 241 E N -1.222 118.957 120.200 -0.035 0.000 2.482 241 E HA -0.061 4.289 4.350 -0.000 0.000 0.196 241 E C 1.564 178.144 176.600 -0.034 0.000 1.047 241 E CA 0.790 57.154 56.400 -0.061 0.000 0.869 241 E CB 0.148 29.812 29.700 -0.059 0.000 0.836 241 E HN 0.371 nan 8.360 nan 0.000 0.520 242 T N -0.529 114.013 114.554 -0.020 0.000 3.311 242 T HA 0.009 4.359 4.350 -0.000 0.000 0.239 242 T C 0.932 175.655 174.700 0.039 0.000 0.976 242 T CA 0.215 62.305 62.100 -0.015 0.000 1.283 242 T CB -0.040 68.791 68.868 -0.062 0.000 1.113 242 T HN -0.013 nan 8.240 nan 0.000 0.392 243 D N 1.458 121.877 120.400 0.031 0.000 2.103 243 D HA 0.009 4.649 4.640 -0.000 0.000 0.199 243 D C 2.014 178.390 176.300 0.128 0.000 0.978 243 D CA 0.862 54.908 54.000 0.077 0.000 0.829 243 D CB -0.051 40.772 40.800 0.038 0.000 0.981 243 D HN 0.165 nan 8.370 nan 0.000 0.464 244 I N 1.031 121.655 120.570 0.090 0.000 2.233 244 I HA -0.138 4.032 4.170 -0.000 0.000 0.243 244 I C 2.444 178.653 176.117 0.152 0.000 1.093 244 I CA 0.435 61.795 61.300 0.101 0.000 1.380 244 I CB -1.208 36.854 38.000 0.104 0.000 1.067 244 I HN -0.007 nan 8.210 nan 0.000 0.413 245 L N 0.683 121.979 121.223 0.121 0.000 2.012 245 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 245 L C 2.486 179.439 176.870 0.138 0.000 1.073 245 L CA 1.798 56.705 54.840 0.111 0.000 0.748 245 L CB -1.162 40.914 42.059 0.029 0.000 0.891 245 L HN 0.198 nan 8.230 nan 0.000 0.431 246 F N 0.583 120.526 119.950 -0.013 0.000 2.065 246 F HA -0.154 4.373 4.527 0.001 0.000 0.298 246 F C 2.203 177.951 175.800 -0.087 0.000 1.112 246 F CA 2.058 60.035 58.000 -0.039 0.000 1.212 246 F CB -1.069 37.911 39.000 -0.033 0.000 0.975 246 F HN 0.150 nan 8.300 nan 0.000 0.476 247 G N -0.919 107.819 108.800 -0.103 0.000 2.422 247 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 247 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 247 G C 1.628 176.317 174.900 -0.352 0.000 1.146 247 G CA 1.014 45.925 45.100 -0.314 0.000 0.769 247 G HN 0.469 nan 8.290 nan 0.000 0.547 248 H N 0.749 119.738 119.070 -0.134 0.000 2.293 248 H HA 0.017 4.573 4.556 -0.000 0.000 0.300 248 H C 2.871 178.094 175.328 -0.175 0.000 1.082 248 H CA 1.354 57.340 56.048 -0.104 0.000 1.308 248 H CB -0.073 29.655 29.762 -0.058 0.000 1.375 248 H HN 0.304 nan 8.280 nan 0.000 0.495 249 R N -0.253 120.204 120.500 -0.071 0.000 2.170 249 R HA -0.109 4.231 4.340 -0.000 0.000 0.242 249 R C 2.270 178.389 176.300 -0.301 0.000 1.145 249 R CA 1.344 57.354 56.100 -0.150 0.000 0.984 249 R CB -0.187 30.046 30.300 -0.112 0.000 0.869 249 R HN 0.257 nan 8.270 nan 0.000 0.455 250 C N -0.695 118.290 119.300 -0.524 0.000 2.696 250 C HA 0.260 4.719 4.460 -0.000 0.000 0.264 250 C C 1.427 176.072 174.990 -0.575 0.000 1.288 250 C CA 0.264 58.829 59.018 -0.755 0.000 1.717 250 C CB -0.407 26.515 27.740 -1.363 0.000 1.893 250 C HN 0.787 nan 8.230 nan 0.000 0.577 251 G N 1.025 109.603 108.800 -0.369 0.000 2.160 251 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.244 251 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.244 251 G C -0.137 174.582 174.900 -0.303 0.000 1.022 251 G CA 0.068 45.009 45.100 -0.265 0.000 0.741 251 G HN 0.517 nan 8.290 nan 0.000 0.508 252 M N 0.768 120.141 119.600 -0.378 0.000 2.409 252 M HA 0.389 4.869 4.480 -0.000 0.000 0.329 252 M C 0.665 176.711 176.300 -0.423 0.000 1.180 252 M CA -0.413 54.669 55.300 -0.363 0.000 1.053 252 M CB 1.239 33.619 32.600 -0.367 0.000 1.586 252 M HN 0.088 nan 8.290 nan 0.000 0.461 253 T N 1.633 115.929 114.554 -0.430 0.000 2.834 253 T HA 0.244 4.594 4.350 -0.000 0.000 0.298 253 T C 0.252 174.748 174.700 -0.340 0.000 0.966 253 T CA -0.438 61.303 62.100 -0.597 0.000 1.141 253 T CB -0.147 68.511 68.868 -0.350 0.000 0.905 253 T HN 0.733 nan 8.240 nan 0.000 0.535 254 T N -0.005 114.415 114.554 -0.224 0.000 2.859 254 T HA 0.671 5.021 4.350 -0.000 0.000 0.281 254 T C -0.460 174.297 174.700 0.095 0.000 1.005 254 T CA -0.843 61.239 62.100 -0.031 0.000 1.025 254 T CB 1.186 70.030 68.868 -0.039 0.000 0.977 254 T HN 0.307 nan 8.240 nan 0.000 0.458 255 V N 3.696 123.655 119.914 0.074 0.000 2.525 255 V HA 0.454 4.574 4.120 -0.000 0.000 0.299 255 V C -0.522 175.644 176.094 0.120 0.000 1.034 255 V CA -0.966 61.416 62.300 0.135 0.000 0.863 255 V CB 1.390 33.269 31.823 0.094 0.000 0.999 255 V HN 0.953 nan 8.190 nan 0.000 0.423 256 L N 4.475 125.801 121.223 0.172 0.000 2.276 256 L HA 0.660 5.000 4.340 -0.000 0.000 0.286 256 L C 0.333 177.310 176.870 0.178 0.000 1.061 256 L CA 0.893 55.827 54.840 0.156 0.000 0.807 256 L CB 1.571 43.722 42.059 0.153 0.000 1.177 256 L HN 0.763 nan 8.230 nan 0.000 0.429 257 T N 4.961 119.596 114.554 0.134 0.000 2.867 257 T HA 0.432 4.782 4.350 -0.000 0.000 0.282 257 T C 0.845 175.615 174.700 0.117 0.000 1.000 257 T CA -0.473 61.707 62.100 0.134 0.000 1.042 257 T CB 0.611 69.548 68.868 0.116 0.000 0.973 257 T HN 0.647 nan 8.240 nan 0.000 0.465 258 L N 3.607 124.904 121.223 0.123 0.000 2.653 258 L HA 0.183 4.523 4.340 -0.000 0.000 0.231 258 L C 2.250 179.170 176.870 0.083 0.000 1.153 258 L CA 0.006 54.905 54.840 0.098 0.000 0.933 258 L CB -0.140 41.983 42.059 0.108 0.000 1.175 258 L HN 0.776 nan 8.230 nan 0.000 0.473 259 T N -3.436 111.168 114.554 0.082 0.000 3.148 259 T HA 0.185 4.535 4.350 -0.000 0.000 0.253 259 T C 1.033 175.776 174.700 0.072 0.000 1.134 259 T CA 0.453 62.598 62.100 0.075 0.000 1.051 259 T CB 0.248 69.160 68.868 0.073 0.000 0.959 259 T HN 0.336 nan 8.240 nan 0.000 0.525 260 G N 0.619 109.461 108.800 0.071 0.000 3.356 260 G HA2 0.458 4.418 3.960 -0.000 0.000 0.178 260 G HA3 0.458 4.418 3.960 -0.000 0.000 0.178 260 G C 0.716 175.667 174.900 0.085 0.000 1.130 260 G CA 0.045 45.189 45.100 0.074 0.000 0.800 260 G HN 0.057 nan 8.290 nan 0.000 0.669 261 V N 0.809 120.769 119.914 0.078 0.000 2.283 261 V HA 0.032 4.152 4.120 -0.000 0.000 0.243 261 V C 1.554 177.705 176.094 0.095 0.000 1.039 261 V CA 1.575 63.934 62.300 0.098 0.000 1.016 261 V CB -0.526 31.306 31.823 0.015 0.000 0.650 261 V HN 0.367 nan 8.190 nan 0.000 0.449 262 S N 0.573 116.312 115.700 0.065 0.000 2.565 262 S HA 0.418 4.888 4.470 -0.000 0.000 0.274 262 S C 0.073 174.701 174.600 0.047 0.000 1.309 262 S CA -0.519 57.719 58.200 0.063 0.000 1.043 262 S CB 0.744 63.981 63.200 0.063 0.000 0.939 262 S HN 0.263 nan 8.310 nan 0.000 0.504 263 R N 1.489 122.008 120.500 0.031 0.000 2.540 263 R HA 0.287 4.627 4.340 -0.000 0.000 0.287 263 R C 1.016 177.290 176.300 -0.044 0.000 0.980 263 R CA -0.829 55.270 56.100 -0.002 0.000 0.966 263 R CB 0.705 31.003 30.300 -0.003 0.000 1.106 263 R HN 0.545 nan 8.270 nan 0.000 0.480 264 L N 2.877 124.039 121.223 -0.102 0.000 2.043 264 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 264 L C 2.178 178.959 176.870 -0.149 0.000 1.075 264 L CA 2.238 56.951 54.840 -0.212 0.000 0.752 264 L CB -0.618 41.227 42.059 -0.356 0.000 0.891 264 L HN 0.831 nan 8.230 nan 0.000 0.432 265 E N -0.260 119.877 120.200 -0.105 0.000 2.086 265 E HA -0.334 4.016 4.350 -0.000 0.000 0.205 265 E C 1.874 178.413 176.600 -0.102 0.000 1.027 265 E CA 2.298 58.645 56.400 -0.088 0.000 0.830 265 E CB -0.340 29.321 29.700 -0.065 0.000 0.751 265 E HN 0.750 nan 8.360 nan 0.000 0.456 266 E N 0.309 120.451 120.200 -0.095 0.000 2.072 266 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 266 E C 2.198 178.742 176.600 -0.093 0.000 0.985 266 E CA 0.900 57.212 56.400 -0.148 0.000 0.801 266 E CB -0.241 29.413 29.700 -0.077 0.000 0.750 266 E HN 0.456 nan 8.360 nan 0.000 0.452 267 A N 1.343 124.169 122.820 0.010 0.000 1.940 267 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 267 A C 2.069 179.676 177.584 0.038 0.000 1.176 267 A CA 1.595 53.680 52.037 0.080 0.000 0.631 267 A CB -0.387 18.620 19.000 0.012 0.000 0.814 267 A HN 0.187 nan 8.150 nan 0.000 0.446 268 Q N -0.892 118.886 119.800 -0.036 0.000 2.163 268 Q HA 0.116 4.456 4.340 -0.000 0.000 0.198 268 Q C 2.438 178.410 176.000 -0.047 0.000 0.954 268 Q CA 0.805 56.587 55.803 -0.035 0.000 0.851 268 Q CB -0.356 28.349 28.738 -0.054 0.000 0.928 268 Q HN 0.653 nan 8.270 nan 0.000 0.459 269 A N 0.856 123.614 122.820 -0.103 0.000 1.852 269 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 269 A C 1.758 179.273 177.584 -0.115 0.000 1.215 269 A CA 1.875 53.817 52.037 -0.159 0.000 0.641 269 A CB -1.311 17.517 19.000 -0.286 0.000 0.838 269 A HN 0.411 nan 8.150 nan 0.000 0.450 270 Y N -0.819 119.444 120.300 -0.063 0.000 2.241 270 Y HA -0.188 4.362 4.550 -0.000 0.000 0.286 270 Y C 2.262 178.092 175.900 -0.116 0.000 1.166 270 Y CA 1.390 59.439 58.100 -0.085 0.000 1.203 270 Y CB -0.747 37.666 38.460 -0.078 0.000 0.977 270 Y HN 0.359 nan 8.280 nan 0.000 0.529 271 L N -0.034 121.225 121.223 0.061 0.000 2.056 271 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 271 L C 2.371 179.220 176.870 -0.035 0.000 1.078 271 L CA 1.942 56.780 54.840 -0.004 0.000 0.749 271 L CB -1.139 40.934 42.059 0.024 0.000 0.901 271 L HN 0.097 nan 8.230 nan 0.000 0.433 272 A N -0.435 122.370 122.820 -0.025 0.000 1.972 272 A HA -0.045 4.275 4.320 -0.000 0.000 0.219 272 A C 2.220 179.776 177.584 -0.047 0.000 1.169 272 A CA 1.476 53.494 52.037 -0.031 0.000 0.635 272 A CB -1.031 17.950 19.000 -0.031 0.000 0.810 272 A HN 0.540 nan 8.150 nan 0.000 0.446 273 A N -1.375 121.415 122.820 -0.049 0.000 2.259 273 A HA 0.414 4.734 4.320 -0.000 0.000 0.208 273 A C 1.745 179.265 177.584 -0.108 0.000 1.201 273 A CA 1.049 53.055 52.037 -0.051 0.000 0.824 273 A CB -1.217 17.775 19.000 -0.013 0.000 0.838 273 A HN 1.817 nan 8.150 nan 0.000 0.485 274 G N -0.580 108.103 108.800 -0.196 0.000 2.233 274 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.270 274 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.270 274 G C 0.191 174.734 174.900 -0.595 0.000 1.011 274 G CA 0.597 45.419 45.100 -0.465 0.000 0.762 274 G HN 0.675 nan 8.290 nan 0.000 0.511 275 Q N -0.374 119.228 119.800 -0.330 0.000 3.026 275 Q HA 0.321 4.661 4.340 -0.000 0.000 0.258 275 Q C 1.230 177.052 176.000 -0.297 0.000 1.388 275 Q CA -0.319 55.331 55.803 -0.254 0.000 1.000 275 Q CB -0.038 28.630 28.738 -0.117 0.000 1.634 275 Q HN 0.783 nan 8.270 nan 0.000 0.571 276 H N 0.326 119.285 119.070 -0.185 0.000 2.456 276 H HA -0.153 4.403 4.556 -0.000 0.000 0.296 276 H C 1.251 176.259 175.328 -0.533 0.000 1.079 276 H CA 1.462 57.344 56.048 -0.277 0.000 1.322 276 H CB 0.341 29.964 29.762 -0.231 0.000 1.388 276 H HN 0.595 nan 8.280 nan 0.000 0.538 277 D N 0.054 120.198 120.400 -0.427 0.000 2.340 277 D HA -0.046 4.594 4.640 -0.000 0.000 0.220 277 D C 1.090 177.181 176.300 -0.347 0.000 1.039 277 D CA 0.318 53.927 54.000 -0.651 0.000 0.866 277 D CB -0.208 40.385 40.800 -0.345 0.000 0.913 277 D HN 0.378 nan 8.370 nan 0.000 0.523 278 L N 0.309 121.328 121.223 -0.341 0.000 2.769 278 L HA 0.277 4.617 4.340 -0.000 0.000 0.240 278 L C -0.301 176.475 176.870 -0.157 0.000 1.163 278 L CA -0.272 54.365 54.840 -0.339 0.000 0.962 278 L CB 0.811 42.358 42.059 -0.853 0.000 1.258 278 L HN -0.115 nan 8.230 nan 0.000 0.513 279 V N 1.515 121.372 119.914 -0.094 0.000 2.394 279 V HA 0.365 4.485 4.120 -0.000 0.000 0.282 279 V C -2.093 174.064 176.094 0.105 0.000 1.031 279 V CA -1.676 60.631 62.300 0.012 0.000 0.881 279 V CB 1.483 33.298 31.823 -0.014 0.000 0.982 279 V HN -0.015 nan 8.190 nan 0.000 0.451 280 P HA 0.312 nan 4.420 nan 0.000 0.277 280 P C -0.065 177.211 177.300 -0.041 0.000 1.240 280 P CA -0.209 62.942 63.100 0.086 0.000 0.798 280 P CB 1.120 32.896 31.700 0.128 0.000 0.979 281 H N 0.298 119.297 119.070 -0.117 0.000 2.333 281 H HA 0.016 4.572 4.556 -0.000 0.000 0.302 281 H C 0.150 175.097 175.328 -0.635 0.000 1.075 281 H CA 2.014 57.813 56.048 -0.416 0.000 1.348 281 H CB -0.385 29.061 29.762 -0.526 0.000 1.393 281 H HN 0.430 nan 8.280 nan 0.000 0.509 282 Y N -1.560 118.848 120.300 0.180 0.000 2.605 282 Y HA 0.367 4.917 4.550 -0.000 0.000 0.343 282 Y C -0.863 175.149 175.900 0.187 0.000 1.036 282 Y CA -1.804 56.367 58.100 0.119 0.000 1.065 282 Y CB 1.383 39.862 38.460 0.033 0.000 1.288 282 Y HN 0.009 nan 8.280 nan 0.000 0.481 283 Y N -0.722 119.711 120.300 0.221 0.000 2.588 283 Y HA 0.867 5.417 4.550 -0.000 0.000 0.343 283 Y C -1.579 174.390 175.900 0.114 0.000 1.065 283 Y CA -1.763 56.419 58.100 0.137 0.000 1.038 283 Y CB 1.312 39.831 38.460 0.099 0.000 1.297 283 Y HN 0.499 nan 8.280 nan 0.000 0.467 284 V N -0.752 119.266 119.914 0.173 0.000 3.049 284 V HA 0.509 4.629 4.120 -0.000 0.000 0.309 284 V C 0.375 176.580 176.094 0.184 0.000 1.148 284 V CA -0.863 61.478 62.300 0.070 0.000 0.990 284 V CB 1.982 33.831 31.823 0.043 0.000 1.039 284 V HN 1.042 nan 8.190 nan 0.000 0.430 285 E N 1.332 121.616 120.200 0.141 0.000 2.077 285 E HA -0.018 4.332 4.350 -0.000 0.000 0.193 285 E C 0.829 177.498 176.600 0.115 0.000 0.989 285 E CA 1.765 58.251 56.400 0.143 0.000 0.800 285 E CB 0.181 29.947 29.700 0.109 0.000 0.746 285 E HN 1.002 nan 8.360 nan 0.000 0.452 286 S N -1.420 114.338 115.700 0.097 0.000 2.570 286 S HA 0.176 4.646 4.470 -0.000 0.000 0.270 286 S C 0.672 175.328 174.600 0.094 0.000 1.149 286 S CA -0.792 57.464 58.200 0.093 0.000 0.837 286 S CB 0.766 64.014 63.200 0.080 0.000 1.124 286 S HN 0.247 nan 8.310 nan 0.000 0.465 287 I N -0.464 120.172 120.570 0.111 0.000 2.916 287 I HA 0.148 4.318 4.170 -0.000 0.000 0.267 287 I C 2.045 178.228 176.117 0.109 0.000 1.263 287 I CA 1.212 62.594 61.300 0.136 0.000 1.471 287 I CB -0.768 37.357 38.000 0.209 0.000 1.089 287 I HN 0.674 nan 8.210 nan 0.000 0.468 288 A N 1.775 124.645 122.820 0.084 0.000 2.019 288 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 288 A C 1.800 179.412 177.584 0.046 0.000 1.164 288 A CA 1.873 53.946 52.037 0.061 0.000 0.644 288 A CB -0.624 18.407 19.000 0.050 0.000 0.805 288 A HN 0.512 nan 8.150 nan 0.000 0.449 289 D N -0.135 120.291 120.400 0.043 0.000 2.350 289 D HA -0.044 4.596 4.640 -0.000 0.000 0.216 289 D C 1.565 177.872 176.300 0.011 0.000 0.968 289 D CA 0.641 54.654 54.000 0.022 0.000 0.894 289 D CB -0.107 40.700 40.800 0.013 0.000 0.909 289 D HN 0.501 nan 8.370 nan 0.000 0.520 290 L N 0.287 121.529 121.223 0.032 0.000 2.375 290 L HA -0.025 4.315 4.340 -0.000 0.000 0.215 290 L C 2.243 179.128 176.870 0.025 0.000 1.108 290 L CA 0.577 55.431 54.840 0.023 0.000 0.830 290 L CB -0.245 41.849 42.059 0.059 0.000 0.959 290 L HN -0.070 nan 8.230 nan 0.000 0.457 291 T N -0.685 113.890 114.554 0.035 0.000 2.746 291 T HA -0.181 4.168 4.350 -0.000 0.000 0.267 291 T C 1.621 176.329 174.700 0.013 0.000 1.039 291 T CA 1.254 63.372 62.100 0.031 0.000 1.142 291 T CB -0.118 68.769 68.868 0.032 0.000 0.866 291 T HN 0.255 nan 8.240 nan 0.000 0.444 292 E N 0.943 121.145 120.200 0.004 0.000 2.136 292 E HA -0.123 4.227 4.350 -0.000 0.000 0.202 292 E C 2.240 178.831 176.600 -0.014 0.000 1.019 292 E CA 1.358 57.754 56.400 -0.006 0.000 0.819 292 E CB -0.670 29.023 29.700 -0.012 0.000 0.739 292 E HN 0.557 nan 8.360 nan 0.000 0.458 293 G N -0.839 107.948 108.800 -0.022 0.000 2.776 293 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.209 293 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.209 293 G C 1.147 176.034 174.900 -0.022 0.000 1.145 293 G CA 0.219 45.299 45.100 -0.033 0.000 0.791 293 G HN 0.137 nan 8.290 nan 0.000 0.530 294 L N -1.156 120.062 121.223 -0.009 0.000 2.445 294 L HA 0.523 4.863 4.340 -0.000 0.000 0.207 294 L C 1.323 178.192 176.870 -0.001 0.000 1.053 294 L CA 0.955 55.794 54.840 -0.001 0.000 0.841 294 L CB 0.224 42.291 42.059 0.012 0.000 1.074 294 L HN 0.312 nan 8.230 nan 0.000 0.479 295 E N 0.000 120.200 120.200 -0.000 0.000 2.725 295 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 295 E CA 0.000 nan 56.400 nan 0.000 0.976 295 E CB 0.000 nan 29.700 nan 0.000 0.812 295 E HN 0.000 nan 8.360 nan 0.000 0.440