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 1re5_1_A DATA FIRST_RESID 3 DATA SEQUENCE NQLFDAYFTA PAMREIFSDR GRLQGMLDFE AALARAEASA GLVPHSAVAA DATA SEQUENCE IEAACQAERY DTGALANAIA TAGNSAIPLV KALGKVIATG VPEAERYVHL DATA SEQUENCE GATSQDAMDT GLVLQLRDAL DLIEADLGKL ADTLSQQALK HADTPLVGRT DATA SEQUENCE WLQHATPVTL GMKLAGVLGA LTRHRQRLQE LRPRLLVLQF GGASGSLAAL DATA SEQUENCE GSKAMPVAEA LAEQLKLTLP EQPWHTQRDR LVEFASVLGL VAGSLGKFGR DATA SEQUENCE DISLLMQTEA GEVFEPSAPX XXXXXXXXXK RNPVGAAVLI GAATRVPGLL DATA SEQUENCE STLFAAMPQE HERSLGLWHA EWETLPDICC LVSGALRQAQ VIAEGMEVDA DATA SEQUENCE ARMRRNLDLT QGLVLAEAVS IVLAQRLGRD RAHHLLEQCC QRAVAEQRHL DATA SEQUENCE RAVLGDEPQV SAELSGEELD RLLDPAHYLG QARVWVARAV SEHQRFTA 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.549 175.510 0.066 0.000 1.280 3 N CA 0.000 53.086 53.050 0.059 0.000 0.885 3 N CB 0.000 38.539 38.487 0.087 0.000 1.341 4 Q N 0.465 120.284 119.800 0.031 0.000 2.140 4 Q HA 0.351 4.691 4.340 -0.000 0.000 0.227 4 Q C 0.462 176.448 176.000 -0.023 0.000 0.798 4 Q CA -0.302 55.519 55.803 0.030 0.000 0.987 4 Q CB 0.453 29.204 28.738 0.023 0.000 1.161 4 Q HN 0.388 nan 8.270 nan 0.000 0.480 5 L N 0.223 121.385 121.223 -0.103 0.000 1.990 5 L HA -0.114 4.226 4.340 -0.000 0.000 0.213 5 L C 1.403 178.070 176.870 -0.339 0.000 1.072 5 L CA 1.870 56.534 54.840 -0.295 0.000 0.755 5 L CB -0.206 41.538 42.059 -0.525 0.000 0.889 5 L HN 0.282 nan 8.230 nan 0.000 0.432 6 F N -1.173 118.764 119.950 -0.022 0.000 2.797 6 F HA -0.054 4.473 4.527 -0.000 0.000 0.302 6 F C 1.802 177.540 175.800 -0.102 0.000 1.130 6 F CA -0.026 57.894 58.000 -0.133 0.000 1.387 6 F CB -0.096 38.832 39.000 -0.120 0.000 1.107 6 F HN 0.106 nan 8.300 nan 0.000 0.577 7 D N 0.667 121.158 120.400 0.151 0.000 2.178 7 D HA -0.136 4.504 4.640 -0.000 0.000 0.202 7 D C 2.298 178.672 176.300 0.123 0.000 0.974 7 D CA 1.181 55.276 54.000 0.159 0.000 0.841 7 D CB 0.114 40.989 40.800 0.125 0.000 0.953 7 D HN 0.179 nan 8.370 nan 0.000 0.478 8 A N -0.709 122.160 122.820 0.081 0.000 1.968 8 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 8 A C 2.005 179.668 177.584 0.132 0.000 1.169 8 A CA 0.947 53.034 52.037 0.083 0.000 0.638 8 A CB -0.853 18.173 19.000 0.043 0.000 0.812 8 A HN 0.432 nan 8.150 nan 0.000 0.446 9 Y N -1.004 119.246 120.300 -0.084 0.000 2.337 9 Y HA 0.057 4.607 4.550 -0.000 0.000 0.293 9 Y C 1.493 177.378 175.900 -0.025 0.000 1.123 9 Y CA 0.631 58.645 58.100 -0.143 0.000 1.201 9 Y CB -0.254 38.006 38.460 -0.333 0.000 1.011 9 Y HN 0.336 nan 8.280 nan 0.000 0.545 10 F N -1.199 118.781 119.950 0.049 0.000 2.678 10 F HA 0.163 4.690 4.527 -0.000 0.000 0.291 10 F C 0.498 176.289 175.800 -0.015 0.000 1.123 10 F CA 0.001 57.953 58.000 -0.079 0.000 1.395 10 F CB 0.387 39.357 39.000 -0.050 0.000 1.121 10 F HN -0.250 nan 8.300 nan 0.000 0.592 11 T N 0.402 115.084 114.554 0.214 0.000 2.887 11 T HA 0.629 4.979 4.350 -0.000 0.000 0.288 11 T C -0.430 174.345 174.700 0.125 0.000 1.021 11 T CA -0.668 61.524 62.100 0.154 0.000 1.000 11 T CB 1.975 70.935 68.868 0.154 0.000 1.034 11 T HN 0.025 nan 8.240 nan 0.000 0.467 12 A N 4.088 126.975 122.820 0.113 0.000 2.309 12 A HA 0.531 4.851 4.320 -0.000 0.000 0.290 12 A C -0.912 176.730 177.584 0.097 0.000 1.206 12 A CA -1.550 50.546 52.037 0.099 0.000 0.850 12 A CB 0.097 19.152 19.000 0.093 0.000 1.118 12 A HN 0.597 nan 8.150 nan 0.000 0.523 13 P HA -0.337 nan 4.420 nan 0.000 0.220 13 P C 1.467 178.807 177.300 0.067 0.000 1.155 13 P CA 2.556 65.700 63.100 0.072 0.000 0.880 13 P CB 0.136 31.871 31.700 0.059 0.000 0.790 14 A N -0.882 121.976 122.820 0.063 0.000 1.933 14 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 14 A C 2.392 180.011 177.584 0.059 0.000 1.175 14 A CA 2.333 54.402 52.037 0.052 0.000 0.628 14 A CB -1.317 17.713 19.000 0.049 0.000 0.814 14 A HN 0.169 nan 8.150 nan 0.000 0.444 15 M N -0.747 118.910 119.600 0.095 0.000 2.132 15 M HA -0.040 4.440 4.480 -0.000 0.000 0.263 15 M C 2.040 178.445 176.300 0.176 0.000 1.065 15 M CA 1.859 57.246 55.300 0.145 0.000 1.122 15 M CB -0.299 32.414 32.600 0.189 0.000 1.365 15 M HN 0.354 nan 8.290 nan 0.000 0.411 16 R N -0.077 120.514 120.500 0.151 0.000 2.096 16 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 16 R C 1.989 178.353 176.300 0.105 0.000 1.127 16 R CA 1.798 57.990 56.100 0.154 0.000 0.968 16 R CB -0.453 29.919 30.300 0.120 0.000 0.861 16 R HN 0.418 nan 8.270 nan 0.000 0.440 17 E N 0.367 120.602 120.200 0.058 0.000 2.077 17 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 17 E C 1.747 178.329 176.600 -0.031 0.000 0.989 17 E CA 1.715 58.128 56.400 0.020 0.000 0.800 17 E CB -0.216 29.491 29.700 0.013 0.000 0.746 17 E HN 0.472 nan 8.360 nan 0.000 0.452 18 I N -0.618 119.894 120.570 -0.096 0.000 2.179 18 I HA -0.202 3.968 4.170 -0.000 0.000 0.242 18 I C 0.431 176.305 176.117 -0.405 0.000 1.088 18 I CA 0.668 61.789 61.300 -0.299 0.000 1.357 18 I CB -0.090 37.623 38.000 -0.478 0.000 1.051 18 I HN 0.001 nan 8.210 nan 0.000 0.409 19 F N 1.816 121.793 119.950 0.045 0.000 2.560 19 F HA 0.216 4.743 4.527 -0.000 0.000 0.338 19 F C 0.701 176.523 175.800 0.037 0.000 1.201 19 F CA -0.530 57.495 58.000 0.042 0.000 1.291 19 F CB -0.218 38.813 39.000 0.053 0.000 1.627 19 F HN -0.068 nan 8.300 nan 0.000 0.588 20 S N -1.941 113.832 115.700 0.120 0.000 2.704 20 S HA 0.393 4.863 4.470 -0.000 0.000 0.296 20 S C 0.674 175.311 174.600 0.061 0.000 1.138 20 S CA -0.938 57.315 58.200 0.089 0.000 0.875 20 S CB 1.834 65.067 63.200 0.056 0.000 1.151 20 S HN 0.190 nan 8.310 nan 0.000 0.500 21 D N 0.621 121.051 120.400 0.049 0.000 2.123 21 D HA -0.131 4.509 4.640 -0.000 0.000 0.196 21 D C 1.900 178.211 176.300 0.020 0.000 0.992 21 D CA 1.007 55.025 54.000 0.030 0.000 0.833 21 D CB -0.198 40.620 40.800 0.029 0.000 0.954 21 D HN 0.501 nan 8.370 nan 0.000 0.455 22 R N 0.812 121.327 120.500 0.024 0.000 2.083 22 R HA -0.131 4.209 4.340 -0.000 0.000 0.237 22 R C 2.325 178.628 176.300 0.004 0.000 1.137 22 R CA 1.778 57.891 56.100 0.021 0.000 0.951 22 R CB -0.707 29.607 30.300 0.022 0.000 0.851 22 R HN 0.193 nan 8.270 nan 0.000 0.434 23 G N 0.572 109.366 108.800 -0.011 0.000 2.422 23 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.218 23 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.218 23 G C 1.599 176.474 174.900 -0.041 0.000 1.146 23 G CA 0.757 45.829 45.100 -0.046 0.000 0.769 23 G HN 0.360 nan 8.290 nan 0.000 0.547 24 R N -0.645 119.845 120.500 -0.017 0.000 2.073 24 R HA 0.001 4.341 4.340 -0.000 0.000 0.234 24 R C 2.411 178.685 176.300 -0.042 0.000 1.134 24 R CA 1.017 57.105 56.100 -0.020 0.000 0.952 24 R CB -0.393 29.900 30.300 -0.011 0.000 0.850 24 R HN 0.260 nan 8.270 nan 0.000 0.433 25 L N 1.170 122.369 121.223 -0.039 0.000 2.017 25 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 25 L C 2.515 179.364 176.870 -0.034 0.000 1.073 25 L CA 1.766 56.573 54.840 -0.055 0.000 0.745 25 L CB -1.069 40.968 42.059 -0.036 0.000 0.894 25 L HN 0.272 nan 8.230 nan 0.000 0.432 26 Q N -0.505 119.290 119.800 -0.008 0.000 2.135 26 Q HA -0.123 4.217 4.340 -0.000 0.000 0.204 26 Q C 2.149 178.155 176.000 0.009 0.000 0.981 26 Q CA 1.791 57.598 55.803 0.007 0.000 0.856 26 Q CB -0.721 28.022 28.738 0.007 0.000 0.902 26 Q HN 0.473 nan 8.270 nan 0.000 0.425 27 G N -0.079 108.719 108.800 -0.003 0.000 2.421 27 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 27 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 27 G C 1.359 176.289 174.900 0.049 0.000 1.171 27 G CA 1.043 46.151 45.100 0.014 0.000 0.775 27 G HN 0.376 nan 8.290 nan 0.000 0.543 28 M N -0.113 119.500 119.600 0.023 0.000 2.132 28 M HA 0.112 4.592 4.480 -0.000 0.000 0.263 28 M C 2.589 178.966 176.300 0.129 0.000 1.065 28 M CA 0.917 56.254 55.300 0.062 0.000 1.122 28 M CB -0.389 32.199 32.600 -0.020 0.000 1.365 28 M HN 0.130 nan 8.290 nan 0.000 0.411 29 L N -0.015 121.237 121.223 0.048 0.000 2.046 29 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 29 L C 1.894 178.804 176.870 0.066 0.000 1.077 29 L CA 1.076 55.941 54.840 0.043 0.000 0.747 29 L CB -0.831 41.240 42.059 0.019 0.000 0.896 29 L HN 0.253 nan 8.230 nan 0.000 0.432 30 D N -0.282 120.159 120.400 0.069 0.000 2.149 30 D HA -0.235 4.405 4.640 -0.000 0.000 0.198 30 D C 1.837 178.174 176.300 0.061 0.000 0.990 30 D CA 1.195 55.227 54.000 0.053 0.000 0.839 30 D CB -0.204 40.627 40.800 0.051 0.000 0.948 30 D HN 0.233 nan 8.370 nan 0.000 0.460 31 F N 1.785 121.726 119.950 -0.015 0.000 2.102 31 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 31 F C 2.086 177.874 175.800 -0.020 0.000 1.105 31 F CA 1.238 59.225 58.000 -0.021 0.000 1.239 31 F CB 0.019 39.018 39.000 -0.001 0.000 0.991 31 F HN -0.194 nan 8.300 nan 0.000 0.474 32 E N 0.898 121.082 120.200 -0.027 0.000 2.058 32 E HA -0.215 4.134 4.350 -0.000 0.000 0.194 32 E C 2.455 178.962 176.600 -0.156 0.000 0.997 32 E CA 1.306 57.646 56.400 -0.099 0.000 0.801 32 E CB -1.085 28.665 29.700 0.083 0.000 0.746 32 E HN 0.511 nan 8.360 nan 0.000 0.450 33 A N 1.689 124.456 122.820 -0.089 0.000 1.858 33 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 33 A C 2.474 179.972 177.584 -0.143 0.000 1.190 33 A CA 2.325 54.313 52.037 -0.081 0.000 0.617 33 A CB -0.759 18.220 19.000 -0.036 0.000 0.827 33 A HN 0.277 nan 8.150 nan 0.000 0.443 34 A N -0.489 122.224 122.820 -0.180 0.000 1.940 34 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 34 A C 2.201 179.595 177.584 -0.317 0.000 1.176 34 A CA 1.532 53.440 52.037 -0.214 0.000 0.631 34 A CB -0.588 18.295 19.000 -0.196 0.000 0.814 34 A HN 0.531 nan 8.150 nan 0.000 0.446 35 L N -0.809 120.127 121.223 -0.477 0.000 1.994 35 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 35 L C 2.987 179.685 176.870 -0.287 0.000 1.071 35 L CA 1.688 56.219 54.840 -0.515 0.000 0.745 35 L CB -0.647 41.023 42.059 -0.649 0.000 0.892 35 L HN 0.454 nan 8.230 nan 0.000 0.431 36 A N -0.250 122.445 122.820 -0.208 0.000 1.883 36 A HA -0.290 4.030 4.320 -0.000 0.000 0.217 36 A C 2.349 179.831 177.584 -0.169 0.000 1.186 36 A CA 1.915 53.866 52.037 -0.144 0.000 0.624 36 A CB -0.658 18.283 19.000 -0.097 0.000 0.822 36 A HN 0.425 nan 8.150 nan 0.000 0.444 37 R N -0.719 119.685 120.500 -0.159 0.000 2.083 37 R HA -0.154 4.186 4.340 -0.000 0.000 0.237 37 R C 2.390 178.601 176.300 -0.148 0.000 1.137 37 R CA 1.523 57.538 56.100 -0.140 0.000 0.951 37 R CB -0.390 29.844 30.300 -0.110 0.000 0.851 37 R HN 0.499 nan 8.270 nan 0.000 0.434 38 A N 0.605 123.325 122.820 -0.166 0.000 1.969 38 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 38 A C 1.752 179.258 177.584 -0.131 0.000 1.169 38 A CA 1.389 53.335 52.037 -0.151 0.000 0.635 38 A CB -0.244 18.634 19.000 -0.202 0.000 0.810 38 A HN 0.440 nan 8.150 nan 0.000 0.445 39 E N -0.356 119.759 120.200 -0.141 0.000 2.299 39 E HA 0.081 4.431 4.350 -0.000 0.000 0.193 39 E C 2.165 178.683 176.600 -0.136 0.000 0.998 39 E CA 0.529 56.869 56.400 -0.101 0.000 0.851 39 E CB -0.154 29.506 29.700 -0.068 0.000 0.795 39 E HN 0.613 nan 8.360 nan 0.000 0.492 40 A N 1.638 124.328 122.820 -0.217 0.000 1.898 40 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 40 A C 2.272 179.695 177.584 -0.268 0.000 1.181 40 A CA 1.579 53.394 52.037 -0.370 0.000 0.620 40 A CB -0.465 18.175 19.000 -0.601 0.000 0.819 40 A HN 0.284 nan 8.150 nan 0.000 0.442 41 S N -0.840 114.773 115.700 -0.144 0.000 2.603 41 S HA 0.376 4.846 4.470 -0.000 0.000 0.229 41 S C 1.197 175.787 174.600 -0.017 0.000 0.972 41 S CA 0.754 58.940 58.200 -0.023 0.000 0.935 41 S CB -0.080 63.117 63.200 -0.006 0.000 0.769 41 S HN 0.860 nan 8.310 nan 0.000 0.536 42 A N 0.240 123.036 122.820 -0.041 0.000 2.431 42 A HA 0.684 5.004 4.320 -0.000 0.000 0.239 42 A C 1.441 179.017 177.584 -0.014 0.000 1.230 42 A CA 0.137 52.163 52.037 -0.017 0.000 0.928 42 A CB -0.391 18.601 19.000 -0.014 0.000 1.006 42 A HN 1.432 nan 8.150 nan 0.000 0.520 43 G N -0.639 108.142 108.800 -0.032 0.000 2.160 43 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.244 43 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.244 43 G C 0.473 175.357 174.900 -0.027 0.000 1.022 43 G CA 0.388 45.474 45.100 -0.023 0.000 0.741 43 G HN 0.351 nan 8.290 nan 0.000 0.508 44 L N -1.012 120.183 121.223 -0.047 0.000 2.609 44 L HA 0.386 4.726 4.340 -0.000 0.000 0.230 44 L C 0.877 177.723 176.870 -0.041 0.000 1.087 44 L CA 0.864 55.700 54.840 -0.006 0.000 0.874 44 L CB 0.604 42.676 42.059 0.021 0.000 1.114 44 L HN 0.170 nan 8.230 nan 0.000 0.488 45 V N 1.626 121.423 119.914 -0.195 0.000 2.686 45 V HA 0.371 4.491 4.120 -0.000 0.000 0.306 45 V C -2.328 173.472 176.094 -0.490 0.000 1.065 45 V CA -1.331 60.696 62.300 -0.454 0.000 0.894 45 V CB 2.499 34.102 31.823 -0.367 0.000 1.004 45 V HN 0.020 nan 8.190 nan 0.000 0.424 46 P HA 0.136 nan 4.420 nan 0.000 0.271 46 P C 0.606 177.752 177.300 -0.257 0.000 1.226 46 P CA 0.143 63.052 63.100 -0.320 0.000 0.765 46 P CB 0.489 32.020 31.700 -0.281 0.000 0.835 47 H N 1.887 120.872 119.070 -0.141 0.000 2.492 47 H HA -0.116 4.440 4.556 -0.000 0.000 0.296 47 H C 1.909 177.186 175.328 -0.085 0.000 1.095 47 H CA 2.127 58.114 56.048 -0.102 0.000 1.281 47 H CB -0.215 29.504 29.762 -0.072 0.000 1.374 47 H HN 0.529 nan 8.280 nan 0.000 0.545 48 S N 0.261 115.974 115.700 0.021 0.000 2.428 48 S HA 0.006 4.476 4.470 -0.000 0.000 0.230 48 S C 2.394 176.983 174.600 -0.019 0.000 1.014 48 S CA 0.582 58.784 58.200 0.005 0.000 0.957 48 S CB -0.088 63.115 63.200 0.004 0.000 0.784 48 S HN 0.423 nan 8.310 nan 0.000 0.499 49 A N 1.531 124.307 122.820 -0.073 0.000 1.970 49 A HA 0.222 4.542 4.320 -0.000 0.000 0.216 49 A C 2.313 179.868 177.584 -0.048 0.000 1.170 49 A CA 1.056 53.060 52.037 -0.055 0.000 0.645 49 A CB -0.908 18.011 19.000 -0.135 0.000 0.816 49 A HN 0.399 nan 8.150 nan 0.000 0.447 50 V N 0.168 120.029 119.914 -0.089 0.000 2.332 50 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 50 V C 3.019 179.098 176.094 -0.027 0.000 1.055 50 V CA 2.063 64.320 62.300 -0.073 0.000 1.038 50 V CB -1.252 30.513 31.823 -0.097 0.000 0.651 50 V HN 0.596 nan 8.190 nan 0.000 0.450 51 A N -0.197 122.617 122.820 -0.009 0.000 1.930 51 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 51 A C 2.431 180.020 177.584 0.009 0.000 1.175 51 A CA 1.873 53.912 52.037 0.003 0.000 0.627 51 A CB -0.711 18.294 19.000 0.009 0.000 0.815 51 A HN 0.561 nan 8.150 nan 0.000 0.443 52 A N 0.189 123.017 122.820 0.013 0.000 1.877 52 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 52 A C 2.127 179.731 177.584 0.033 0.000 1.186 52 A CA 1.571 53.623 52.037 0.025 0.000 0.620 52 A CB -0.648 18.373 19.000 0.035 0.000 0.822 52 A HN 0.488 nan 8.150 nan 0.000 0.443 53 I N -0.353 120.236 120.570 0.032 0.000 2.099 53 I HA -0.298 3.872 4.170 -0.000 0.000 0.239 53 I C 2.531 178.670 176.117 0.036 0.000 1.066 53 I CA 1.849 63.173 61.300 0.040 0.000 1.324 53 I CB -0.613 37.403 38.000 0.026 0.000 1.037 53 I HN 0.434 nan 8.210 nan 0.000 0.401 54 E N 0.875 121.085 120.200 0.016 0.000 2.130 54 E HA -0.275 4.075 4.350 -0.000 0.000 0.196 54 E C 2.231 178.848 176.600 0.028 0.000 0.998 54 E CA 1.414 57.823 56.400 0.015 0.000 0.806 54 E CB -0.270 29.432 29.700 0.002 0.000 0.738 54 E HN 0.566 nan 8.360 nan 0.000 0.459 55 A N 0.927 123.763 122.820 0.026 0.000 2.067 55 A HA 0.018 4.338 4.320 -0.000 0.000 0.219 55 A C 2.180 179.786 177.584 0.035 0.000 1.158 55 A CA 1.402 53.453 52.037 0.024 0.000 0.661 55 A CB -0.160 18.849 19.000 0.016 0.000 0.801 55 A HN 0.267 nan 8.150 nan 0.000 0.452 56 A N -2.035 120.822 122.820 0.062 0.000 2.267 56 A HA 0.235 4.555 4.320 -0.000 0.000 0.213 56 A C 1.010 178.715 177.584 0.202 0.000 1.192 56 A CA 0.366 52.466 52.037 0.106 0.000 0.851 56 A CB -0.530 18.547 19.000 0.128 0.000 0.881 56 A HN 0.443 nan 8.150 nan 0.000 0.494 57 C N 1.627 121.009 119.300 0.137 0.000 2.882 57 C HA 0.576 5.036 4.460 -0.000 0.000 0.492 57 C C 0.924 175.993 174.990 0.131 0.000 1.279 57 C CA 0.470 59.570 59.018 0.137 0.000 1.551 57 C CB -1.907 25.875 27.740 0.070 0.000 2.037 57 C HN 0.668 nan 8.230 nan 0.000 0.625 58 Q N -0.101 119.812 119.800 0.189 0.000 2.310 58 Q HA 0.672 5.012 4.340 -0.000 0.000 0.270 58 Q C 0.696 176.827 176.000 0.218 0.000 1.025 58 Q CA 0.178 56.061 55.803 0.134 0.000 0.772 58 Q CB 1.202 29.980 28.738 0.067 0.000 1.253 58 Q HN 0.627 nan 8.270 nan 0.000 0.450 59 A N 1.165 124.088 122.820 0.171 0.000 1.927 59 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 59 A C 1.688 179.393 177.584 0.201 0.000 1.185 59 A CA 2.292 54.451 52.037 0.204 0.000 0.639 59 A CB -0.203 18.854 19.000 0.096 0.000 0.820 59 A HN 0.904 nan 8.150 nan 0.000 0.451 60 E N -0.431 119.825 120.200 0.093 0.000 2.187 60 E HA -0.187 4.163 4.350 -0.000 0.000 0.199 60 E C 2.208 178.793 176.600 -0.025 0.000 1.004 60 E CA 2.067 58.487 56.400 0.034 0.000 0.813 60 E CB -0.741 28.965 29.700 0.010 0.000 0.736 60 E HN 0.667 nan 8.360 nan 0.000 0.468 61 R N 0.295 120.727 120.500 -0.113 0.000 2.323 61 R HA 0.069 4.409 4.340 -0.000 0.000 0.198 61 R C 0.026 175.952 176.300 -0.623 0.000 0.988 61 R CA 0.812 56.685 56.100 -0.378 0.000 1.041 61 R CB -1.095 28.899 30.300 -0.510 0.000 0.926 61 R HN 0.231 nan 8.270 nan 0.000 0.476 62 Y N -1.462 118.838 120.300 0.001 0.000 2.549 62 Y HA 0.462 5.012 4.550 -0.000 0.000 0.339 62 Y C -0.299 175.601 175.900 -0.001 0.000 1.053 62 Y CA -2.109 55.990 58.100 -0.001 0.000 1.105 62 Y CB 1.847 40.305 38.460 -0.003 0.000 1.258 62 Y HN 0.137 nan 8.280 nan 0.000 0.478 63 D N 0.168 120.659 120.400 0.152 0.000 2.412 63 D HA 0.208 4.848 4.640 -0.000 0.000 0.224 63 D C 0.487 176.833 176.300 0.077 0.000 1.093 63 D CA -0.088 53.962 54.000 0.083 0.000 0.850 63 D CB 1.296 42.127 40.800 0.051 0.000 1.046 63 D HN 0.597 nan 8.370 nan 0.000 0.507 64 T N 2.269 116.860 114.554 0.062 0.000 2.684 64 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 64 T C 1.877 176.595 174.700 0.031 0.000 1.036 64 T CA 1.512 63.637 62.100 0.042 0.000 1.148 64 T CB -0.379 68.510 68.868 0.036 0.000 0.863 64 T HN 0.602 nan 8.240 nan 0.000 0.436 65 G N 1.145 109.963 108.800 0.030 0.000 2.476 65 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.218 65 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.218 65 G C 1.829 176.742 174.900 0.023 0.000 1.164 65 G CA 1.075 46.190 45.100 0.024 0.000 0.768 65 G HN 0.604 nan 8.290 nan 0.000 0.560 66 A N 0.534 123.371 122.820 0.028 0.000 1.877 66 A HA 0.106 4.426 4.320 -0.000 0.000 0.216 66 A C 2.472 180.070 177.584 0.023 0.000 1.186 66 A CA 1.370 53.423 52.037 0.027 0.000 0.620 66 A CB -0.459 18.561 19.000 0.034 0.000 0.822 66 A HN 0.352 nan 8.150 nan 0.000 0.443 67 L N -0.628 120.610 121.223 0.024 0.000 2.042 67 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 67 L C 3.106 179.976 176.870 -0.000 0.000 1.076 67 L CA 1.086 55.930 54.840 0.006 0.000 0.749 67 L CB -0.641 41.415 42.059 -0.005 0.000 0.893 67 L HN 0.444 nan 8.230 nan 0.000 0.432 68 A N 0.423 123.247 122.820 0.007 0.000 1.917 68 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 68 A C 2.081 179.673 177.584 0.014 0.000 1.182 68 A CA 2.120 54.163 52.037 0.010 0.000 0.633 68 A CB -0.631 18.378 19.000 0.016 0.000 0.819 68 A HN 0.502 nan 8.150 nan 0.000 0.448 69 N N 0.143 118.852 118.700 0.015 0.000 2.244 69 N HA -0.059 4.681 4.740 -0.000 0.000 0.183 69 N C 1.874 177.393 175.510 0.015 0.000 1.016 69 N CA 1.305 54.365 53.050 0.016 0.000 0.866 69 N CB -0.398 38.099 38.487 0.015 0.000 0.980 69 N HN 0.507 nan 8.380 nan 0.000 0.430 70 A N 1.489 124.316 122.820 0.011 0.000 1.897 70 A HA 0.001 4.321 4.320 -0.000 0.000 0.215 70 A C 2.290 179.880 177.584 0.010 0.000 1.181 70 A CA 0.609 52.651 52.037 0.008 0.000 0.620 70 A CB -0.556 18.445 19.000 0.002 0.000 0.821 70 A HN 0.138 nan 8.150 nan 0.000 0.443 71 I N 0.077 120.652 120.570 0.007 0.000 2.264 71 I HA -0.315 3.855 4.170 -0.000 0.000 0.248 71 I C 2.818 178.962 176.117 0.045 0.000 1.111 71 I CA 1.049 62.358 61.300 0.015 0.000 1.382 71 I CB -0.243 37.758 38.000 0.003 0.000 1.060 71 I HN 0.357 nan 8.210 nan 0.000 0.418 72 A N -0.348 122.495 122.820 0.038 0.000 2.131 72 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 72 A C 2.209 179.815 177.584 0.037 0.000 1.158 72 A CA 2.231 54.293 52.037 0.041 0.000 0.665 72 A CB -0.650 18.368 19.000 0.029 0.000 0.795 72 A HN 0.437 nan 8.150 nan 0.000 0.460 73 T N -1.790 112.784 114.554 0.033 0.000 2.978 73 T HA 0.365 4.715 4.350 -0.000 0.000 0.248 73 T C 2.063 176.786 174.700 0.037 0.000 1.018 73 T CA 0.577 62.694 62.100 0.029 0.000 1.026 73 T CB 0.196 69.076 68.868 0.020 0.000 1.032 73 T HN 0.477 nan 8.240 nan 0.000 0.485 74 A N 0.881 123.725 122.820 0.041 0.000 1.930 74 A HA 0.502 4.822 4.320 -0.000 0.000 0.215 74 A C 2.169 179.805 177.584 0.087 0.000 1.176 74 A CA 1.488 53.553 52.037 0.047 0.000 0.632 74 A CB -0.743 18.271 19.000 0.024 0.000 0.819 74 A HN 0.743 nan 8.150 nan 0.000 0.445 75 G N -1.008 107.864 108.800 0.121 0.000 2.213 75 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.226 75 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.226 75 G C -0.012 175.072 174.900 0.308 0.000 0.992 75 G CA 0.861 46.093 45.100 0.220 0.000 0.632 75 G HN 1.439 nan 8.290 nan 0.000 0.511 76 N N -1.417 117.370 118.700 0.145 0.000 3.039 76 N HA 0.597 5.337 4.740 -0.000 0.000 0.257 76 N C 0.844 176.265 175.510 -0.148 0.000 1.497 76 N CA 0.501 53.538 53.050 -0.022 0.000 0.861 76 N CB 0.487 38.967 38.487 -0.012 0.000 1.479 76 N HN 0.442 nan 8.380 nan 0.000 0.547 77 S N -1.818 113.687 115.700 -0.326 0.000 2.470 77 S HA 0.245 4.715 4.470 -0.000 0.000 0.222 77 S C 1.763 176.249 174.600 -0.191 0.000 1.024 77 S CA 0.396 58.444 58.200 -0.255 0.000 0.931 77 S CB -0.662 62.331 63.200 -0.344 0.000 0.791 77 S HN 0.768 nan 8.310 nan 0.000 0.513 78 A N 3.511 126.224 122.820 -0.178 0.000 1.865 78 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 78 A C 2.277 179.761 177.584 -0.167 0.000 1.191 78 A CA 1.693 53.642 52.037 -0.146 0.000 0.623 78 A CB -1.122 17.828 19.000 -0.084 0.000 0.826 78 A HN 0.813 nan 8.150 nan 0.000 0.444 79 I N -1.592 118.902 120.570 -0.127 0.000 2.208 79 I HA -0.115 4.055 4.170 -0.000 0.000 0.245 79 I C -0.858 175.196 176.117 -0.105 0.000 1.097 79 I CA 1.767 62.992 61.300 -0.125 0.000 1.363 79 I CB -1.418 36.546 38.000 -0.061 0.000 1.051 79 I HN 0.118 nan 8.210 nan 0.000 0.413 80 P HA -0.102 nan 4.420 nan 0.000 0.219 80 P C 1.939 179.184 177.300 -0.092 0.000 1.150 80 P CA 1.011 64.071 63.100 -0.067 0.000 0.814 80 P CB -0.034 31.635 31.700 -0.051 0.000 0.787 81 L N -0.684 120.456 121.223 -0.139 0.000 2.044 81 L HA -0.080 4.260 4.340 -0.000 0.000 0.205 81 L C 2.109 178.862 176.870 -0.194 0.000 1.075 81 L CA 1.734 56.452 54.840 -0.204 0.000 0.747 81 L CB -1.127 40.794 42.059 -0.231 0.000 0.903 81 L HN -0.214 nan 8.230 nan 0.000 0.435 82 V N 0.131 119.939 119.914 -0.177 0.000 2.343 82 V HA -0.318 3.802 4.120 -0.000 0.000 0.247 82 V C 2.665 178.709 176.094 -0.083 0.000 1.051 82 V CA 2.152 64.358 62.300 -0.157 0.000 1.036 82 V CB -0.751 30.887 31.823 -0.308 0.000 0.654 82 V HN 0.530 nan 8.190 nan 0.000 0.451 83 K N 0.250 120.606 120.400 -0.074 0.000 2.057 83 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 83 K C 2.189 178.797 176.600 0.014 0.000 1.049 83 K CA 1.545 57.816 56.287 -0.026 0.000 0.931 83 K CB -0.321 32.164 32.500 -0.024 0.000 0.714 83 K HN 0.423 nan 8.250 nan 0.000 0.440 84 A N 1.215 124.046 122.820 0.018 0.000 1.972 84 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 84 A C 2.004 179.726 177.584 0.229 0.000 1.169 84 A CA 1.230 53.336 52.037 0.115 0.000 0.635 84 A CB -0.514 18.567 19.000 0.135 0.000 0.810 84 A HN 0.405 nan 8.150 nan 0.000 0.446 85 L N 0.093 121.387 121.223 0.118 0.000 2.056 85 L HA 0.039 4.379 4.340 -0.000 0.000 0.207 85 L C 2.334 179.290 176.870 0.144 0.000 1.078 85 L CA 2.342 57.294 54.840 0.186 0.000 0.749 85 L CB -1.167 40.908 42.059 0.027 0.000 0.901 85 L HN 0.264 nan 8.230 nan 0.000 0.433 86 G N -0.745 108.103 108.800 0.080 0.000 2.440 86 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.218 86 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.218 86 G C 1.681 176.619 174.900 0.063 0.000 1.154 86 G CA 1.285 46.422 45.100 0.063 0.000 0.767 86 G HN 0.543 nan 8.290 nan 0.000 0.552 87 K N 0.178 120.618 120.400 0.067 0.000 2.362 87 K HA 0.294 4.614 4.320 -0.000 0.000 0.200 87 K C 2.405 179.035 176.600 0.051 0.000 1.046 87 K CA 1.379 57.698 56.287 0.053 0.000 0.952 87 K CB -0.558 31.972 32.500 0.051 0.000 0.753 87 K HN 0.292 nan 8.250 nan 0.000 0.466 88 V N 0.560 120.520 119.914 0.076 0.000 2.599 88 V HA -0.003 4.117 4.120 -0.000 0.000 0.245 88 V C 2.270 178.387 176.094 0.039 0.000 1.046 88 V CA 1.022 63.346 62.300 0.041 0.000 1.065 88 V CB -0.116 31.730 31.823 0.038 0.000 0.703 88 V HN 0.531 nan 8.190 nan 0.000 0.464 89 I N 0.594 121.202 120.570 0.063 0.000 2.676 89 I HA -0.122 4.048 4.170 -0.000 0.000 0.259 89 I C 2.573 178.716 176.117 0.043 0.000 1.194 89 I CA 1.078 62.411 61.300 0.056 0.000 1.473 89 I CB -0.437 37.605 38.000 0.071 0.000 1.096 89 I HN 0.279 nan 8.210 nan 0.000 0.443 90 A N 0.701 123.544 122.820 0.039 0.000 1.898 90 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 90 A C 2.372 179.969 177.584 0.022 0.000 1.181 90 A CA 2.233 54.288 52.037 0.029 0.000 0.620 90 A CB -1.012 18.003 19.000 0.025 0.000 0.819 90 A HN 0.326 nan 8.150 nan 0.000 0.442 91 T N -0.371 114.193 114.554 0.017 0.000 2.685 91 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 91 T C 1.757 176.463 174.700 0.010 0.000 1.034 91 T CA 1.834 63.940 62.100 0.009 0.000 1.149 91 T CB -0.464 68.404 68.868 0.000 0.000 0.860 91 T HN 0.607 nan 8.240 nan 0.000 0.449 92 G N 0.120 108.928 108.800 0.013 0.000 2.615 92 G HA2 0.159 4.119 3.960 -0.000 0.000 0.213 92 G HA3 0.159 4.119 3.960 -0.000 0.000 0.213 92 G C 0.336 175.248 174.900 0.020 0.000 1.215 92 G CA -0.020 45.088 45.100 0.014 0.000 0.843 92 G HN 0.405 nan 8.290 nan 0.000 0.571 93 V N 2.815 122.746 119.914 0.029 0.000 2.192 93 V HA 0.229 4.349 4.120 -0.000 0.000 0.264 93 V C -1.525 174.596 176.094 0.046 0.000 1.155 93 V CA -0.989 61.333 62.300 0.037 0.000 1.005 93 V CB 1.247 33.096 31.823 0.042 0.000 1.201 93 V HN 0.128 nan 8.190 nan 0.000 0.468 94 P HA -0.233 nan 4.420 nan 0.000 0.218 94 P C 1.474 178.800 177.300 0.042 0.000 1.152 94 P CA 1.363 64.484 63.100 0.034 0.000 0.857 94 P CB 0.243 31.958 31.700 0.025 0.000 0.787 95 E N -0.752 119.482 120.200 0.058 0.000 2.494 95 E HA 0.063 4.413 4.350 -0.000 0.000 0.193 95 E C 1.350 178.042 176.600 0.153 0.000 1.074 95 E CA 0.701 57.148 56.400 0.079 0.000 0.867 95 E CB -0.731 29.020 29.700 0.085 0.000 0.924 95 E HN 0.186 nan 8.360 nan 0.000 0.502 96 A N 1.199 124.108 122.820 0.148 0.000 2.095 96 A HA -0.008 4.312 4.320 -0.000 0.000 0.212 96 A C 2.037 179.739 177.584 0.196 0.000 1.162 96 A CA 0.595 52.774 52.037 0.236 0.000 0.753 96 A CB -0.271 18.812 19.000 0.139 0.000 0.840 96 A HN 0.272 nan 8.150 nan 0.000 0.468 97 E N 1.106 121.360 120.200 0.089 0.000 2.147 97 E HA -0.282 4.068 4.350 -0.000 0.000 0.199 97 E C 1.997 178.593 176.600 -0.006 0.000 1.005 97 E CA 1.590 58.018 56.400 0.046 0.000 0.810 97 E CB -0.150 29.564 29.700 0.024 0.000 0.736 97 E HN 0.734 nan 8.360 nan 0.000 0.460 98 R N -0.819 119.612 120.500 -0.115 0.000 2.316 98 R HA -0.113 4.227 4.340 -0.000 0.000 0.202 98 R C 0.829 176.903 176.300 -0.377 0.000 1.029 98 R CA 1.082 57.017 56.100 -0.275 0.000 1.018 98 R CB -0.241 29.812 30.300 -0.413 0.000 0.888 98 R HN 0.304 nan 8.270 nan 0.000 0.471 99 Y N 0.173 120.486 120.300 0.020 0.000 2.449 99 Y HA 0.198 4.748 4.550 0.000 0.000 0.254 99 Y C 1.031 176.945 175.900 0.022 0.000 1.140 99 Y CA -0.508 57.600 58.100 0.012 0.000 1.272 99 Y CB 0.777 39.232 38.460 -0.008 0.000 1.114 99 Y HN -0.107 nan 8.280 nan 0.000 0.525 100 V N 1.725 121.730 119.914 0.152 0.000 2.637 100 V HA 0.005 4.125 4.120 -0.000 0.000 0.296 100 V C 0.997 177.209 176.094 0.198 0.000 1.046 100 V CA 0.160 62.544 62.300 0.141 0.000 1.066 100 V CB 0.177 32.070 31.823 0.116 0.000 0.968 100 V HN 0.719 nan 8.190 nan 0.000 0.483 101 H N 2.767 121.874 119.070 0.062 0.000 2.861 101 H HA -0.182 4.374 4.556 -0.000 0.000 0.289 101 H C -0.247 175.146 175.328 0.109 0.000 1.176 101 H CA 0.635 56.744 56.048 0.102 0.000 1.146 101 H CB -0.487 29.335 29.762 0.100 0.000 1.330 101 H HN 0.593 nan 8.280 nan 0.000 0.379 102 L N 1.003 122.268 121.223 0.070 0.000 2.477 102 L HA 0.305 4.645 4.340 -0.000 0.000 0.272 102 L C 1.503 178.402 176.870 0.048 0.000 1.157 102 L CA 1.822 56.699 54.840 0.062 0.000 0.889 102 L CB 0.306 42.421 42.059 0.094 0.000 1.158 102 L HN 0.468 nan 8.230 nan 0.000 0.473 103 G N 3.066 111.883 108.800 0.028 0.000 2.184 103 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.264 103 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.264 103 G C 0.311 175.189 174.900 -0.037 0.000 0.975 103 G CA 0.288 45.395 45.100 0.012 0.000 0.642 103 G HN 1.232 nan 8.290 nan 0.000 0.536 104 A N -0.738 122.036 122.820 -0.075 0.000 2.320 104 A HA 0.895 5.215 4.320 -0.000 0.000 0.334 104 A C 0.262 177.757 177.584 -0.147 0.000 1.147 104 A CA 0.775 52.756 52.037 -0.093 0.000 0.820 104 A CB 1.539 20.560 19.000 0.035 0.000 1.218 104 A HN 1.094 nan 8.150 nan 0.000 0.482 105 T N -0.400 114.137 114.554 -0.029 0.000 2.944 105 T HA 0.387 4.737 4.350 -0.000 0.000 0.284 105 T C 1.486 176.273 174.700 0.145 0.000 1.010 105 T CA 0.217 62.350 62.100 0.054 0.000 1.025 105 T CB 0.984 69.797 68.868 -0.092 0.000 1.079 105 T HN 0.577 nan 8.240 nan 0.000 0.516 106 S N 1.285 117.079 115.700 0.157 0.000 2.372 106 S HA -0.188 4.282 4.470 -0.000 0.000 0.227 106 S C 1.939 176.572 174.600 0.054 0.000 1.044 106 S CA 1.757 60.034 58.200 0.128 0.000 1.050 106 S CB -0.450 62.810 63.200 0.100 0.000 0.901 106 S HN 0.807 nan 8.310 nan 0.000 0.447 107 Q N 0.498 120.276 119.800 -0.036 0.000 2.234 107 Q HA -0.188 4.152 4.340 -0.000 0.000 0.206 107 Q C 1.211 177.112 176.000 -0.165 0.000 0.980 107 Q CA 1.326 57.060 55.803 -0.115 0.000 0.869 107 Q CB -0.100 28.289 28.738 -0.582 0.000 0.912 107 Q HN 0.464 nan 8.270 nan 0.000 0.436 108 D N 0.068 120.371 120.400 -0.162 0.000 2.084 108 D HA -0.164 4.476 4.640 -0.000 0.000 0.194 108 D C 1.699 177.581 176.300 -0.697 0.000 0.990 108 D CA 1.467 55.318 54.000 -0.248 0.000 0.826 108 D CB -0.250 40.524 40.800 -0.043 0.000 0.971 108 D HN 0.383 nan 8.370 nan 0.000 0.453 109 A N 0.875 123.290 122.820 -0.676 0.000 1.877 109 A HA -0.165 4.154 4.320 -0.000 0.000 0.216 109 A C 2.329 179.684 177.584 -0.381 0.000 1.186 109 A CA 1.471 53.049 52.037 -0.766 0.000 0.620 109 A CB -0.550 18.392 19.000 -0.097 0.000 0.822 109 A HN 0.140 nan 8.150 nan 0.000 0.443 110 M N -0.723 118.755 119.600 -0.204 0.000 2.067 110 M HA -0.157 4.323 4.480 -0.000 0.000 0.260 110 M C 1.694 177.946 176.300 -0.080 0.000 1.069 110 M CA 1.847 57.069 55.300 -0.130 0.000 1.117 110 M CB -0.697 31.870 32.600 -0.057 0.000 1.334 110 M HN 0.287 nan 8.290 nan 0.000 0.407 111 D N -0.027 120.329 120.400 -0.073 0.000 2.117 111 D HA -0.102 4.538 4.640 -0.000 0.000 0.198 111 D C 1.997 178.291 176.300 -0.009 0.000 0.982 111 D CA 1.502 55.479 54.000 -0.038 0.000 0.828 111 D CB -0.430 40.209 40.800 -0.269 0.000 0.967 111 D HN 0.280 nan 8.370 nan 0.000 0.464 112 T N -0.254 114.226 114.554 -0.123 0.000 2.746 112 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 112 T C 1.969 176.678 174.700 0.015 0.000 1.039 112 T CA 1.418 63.500 62.100 -0.029 0.000 1.142 112 T CB -0.648 68.162 68.868 -0.097 0.000 0.866 112 T HN 0.251 nan 8.240 nan 0.000 0.444 113 G N 1.534 110.308 108.800 -0.043 0.000 2.440 113 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.218 113 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.218 113 G C 1.502 176.417 174.900 0.025 0.000 1.154 113 G CA 0.474 45.576 45.100 0.003 0.000 0.767 113 G HN 0.431 nan 8.290 nan 0.000 0.552 114 L N 0.607 121.857 121.223 0.044 0.000 2.017 114 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 114 L C 2.976 179.917 176.870 0.119 0.000 1.073 114 L CA 1.361 56.267 54.840 0.109 0.000 0.745 114 L CB -0.387 41.762 42.059 0.150 0.000 0.894 114 L HN 0.162 nan 8.230 nan 0.000 0.432 115 V N 0.521 120.509 119.914 0.124 0.000 2.332 115 V HA -0.346 3.774 4.120 -0.000 0.000 0.248 115 V C 2.595 178.711 176.094 0.038 0.000 1.055 115 V CA 1.820 64.178 62.300 0.096 0.000 1.038 115 V CB -0.467 31.443 31.823 0.145 0.000 0.651 115 V HN 0.417 nan 8.190 nan 0.000 0.450 116 L N -0.596 120.651 121.223 0.040 0.000 2.012 116 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 116 L C 2.734 179.589 176.870 -0.025 0.000 1.073 116 L CA 1.863 56.710 54.840 0.011 0.000 0.748 116 L CB -0.664 41.408 42.059 0.022 0.000 0.891 116 L HN 0.383 nan 8.230 nan 0.000 0.431 117 Q N -0.192 119.587 119.800 -0.034 0.000 2.124 117 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 117 Q C 2.356 178.305 176.000 -0.085 0.000 0.977 117 Q CA 1.222 56.945 55.803 -0.133 0.000 0.850 117 Q CB -0.164 28.460 28.738 -0.189 0.000 0.901 117 Q HN 0.518 nan 8.270 nan 0.000 0.429 118 L N 0.358 121.602 121.223 0.034 0.000 2.131 118 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 118 L C 2.691 179.510 176.870 -0.084 0.000 1.092 118 L CA 0.992 55.847 54.840 0.026 0.000 0.759 118 L CB -0.428 41.579 42.059 -0.087 0.000 0.903 118 L HN 0.224 nan 8.230 nan 0.000 0.435 119 R N 0.347 120.801 120.500 -0.076 0.000 2.066 119 R HA -0.174 4.166 4.340 -0.000 0.000 0.232 119 R C 1.762 178.042 176.300 -0.033 0.000 1.131 119 R CA 1.903 57.962 56.100 -0.067 0.000 0.955 119 R CB -0.159 30.115 30.300 -0.044 0.000 0.851 119 R HN 0.312 nan 8.270 nan 0.000 0.432 120 D N 0.339 120.716 120.400 -0.039 0.000 2.144 120 D HA -0.113 4.527 4.640 -0.000 0.000 0.199 120 D C 1.713 178.014 176.300 0.001 0.000 0.984 120 D CA 1.425 55.406 54.000 -0.032 0.000 0.834 120 D CB -0.220 40.537 40.800 -0.071 0.000 0.955 120 D HN 0.363 nan 8.370 nan 0.000 0.465 121 A N 0.945 123.777 122.820 0.021 0.000 1.877 121 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 121 A C 2.303 179.998 177.584 0.185 0.000 1.186 121 A CA 0.799 52.924 52.037 0.146 0.000 0.620 121 A CB -0.868 18.331 19.000 0.333 0.000 0.822 121 A HN 0.248 nan 8.150 nan 0.000 0.443 122 L N -0.446 120.861 121.223 0.140 0.000 2.012 122 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 122 L C 2.029 178.968 176.870 0.115 0.000 1.073 122 L CA 2.158 57.086 54.840 0.146 0.000 0.748 122 L CB -0.566 41.497 42.059 0.007 0.000 0.891 122 L HN 0.375 nan 8.230 nan 0.000 0.431 123 D N -0.264 120.178 120.400 0.070 0.000 2.123 123 D HA -0.208 4.432 4.640 -0.000 0.000 0.196 123 D C 2.324 178.668 176.300 0.073 0.000 0.992 123 D CA 1.135 55.172 54.000 0.061 0.000 0.833 123 D CB -0.138 40.683 40.800 0.035 0.000 0.954 123 D HN 0.335 nan 8.370 nan 0.000 0.455 124 L N 0.343 121.614 121.223 0.081 0.000 2.005 124 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 124 L C 2.581 179.507 176.870 0.094 0.000 1.072 124 L CA 0.777 55.666 54.840 0.082 0.000 0.744 124 L CB -0.382 41.729 42.059 0.086 0.000 0.895 124 L HN 0.030 nan 8.230 nan 0.000 0.433 125 I N -0.128 120.513 120.570 0.118 0.000 2.264 125 I HA -0.312 3.858 4.170 -0.000 0.000 0.248 125 I C 2.438 178.617 176.117 0.104 0.000 1.111 125 I CA 1.431 62.800 61.300 0.114 0.000 1.382 125 I CB -0.289 37.799 38.000 0.146 0.000 1.060 125 I HN 0.347 nan 8.210 nan 0.000 0.418 126 E N 0.764 121.031 120.200 0.111 0.000 2.106 126 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 126 E C 2.354 179.012 176.600 0.098 0.000 0.984 126 E CA 1.107 57.573 56.400 0.110 0.000 0.806 126 E CB -0.113 29.658 29.700 0.118 0.000 0.750 126 E HN 0.517 nan 8.360 nan 0.000 0.458 127 A N 2.087 124.959 122.820 0.087 0.000 1.845 127 A HA -0.237 4.083 4.320 -0.000 0.000 0.215 127 A C 1.779 179.408 177.584 0.074 0.000 1.195 127 A CA 1.907 53.990 52.037 0.077 0.000 0.616 127 A CB -0.557 18.482 19.000 0.066 0.000 0.832 127 A HN 0.085 nan 8.150 nan 0.000 0.443 128 D N 0.054 120.497 120.400 0.071 0.000 2.123 128 D HA -0.148 4.492 4.640 -0.000 0.000 0.196 128 D C 1.966 178.301 176.300 0.059 0.000 0.992 128 D CA 1.032 55.071 54.000 0.065 0.000 0.833 128 D CB -0.458 40.381 40.800 0.066 0.000 0.954 128 D HN 0.422 nan 8.370 nan 0.000 0.455 129 L N 0.583 121.843 121.223 0.062 0.000 1.989 129 L HA -0.155 4.185 4.340 -0.000 0.000 0.211 129 L C 2.593 179.492 176.870 0.049 0.000 1.071 129 L CA 1.718 56.587 54.840 0.048 0.000 0.749 129 L CB -0.875 41.215 42.059 0.050 0.000 0.890 129 L HN 0.131 nan 8.230 nan 0.000 0.431 130 G N -0.475 108.373 108.800 0.080 0.000 2.440 130 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.218 130 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.218 130 G C 1.670 176.633 174.900 0.106 0.000 1.154 130 G CA 0.976 46.146 45.100 0.117 0.000 0.767 130 G HN 0.298 nan 8.290 nan 0.000 0.552 131 K N -0.289 120.158 120.400 0.078 0.000 2.026 131 K HA -0.063 4.256 4.320 -0.000 0.000 0.208 131 K C 2.448 179.072 176.600 0.039 0.000 1.048 131 K CA 1.353 57.678 56.287 0.063 0.000 0.929 131 K CB -0.303 32.232 32.500 0.057 0.000 0.713 131 K HN 0.249 nan 8.250 nan 0.000 0.439 132 L N 1.027 122.265 121.223 0.025 0.000 2.083 132 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 132 L C 2.172 179.003 176.870 -0.064 0.000 1.083 132 L CA 2.076 56.911 54.840 -0.009 0.000 0.752 132 L CB -0.675 41.381 42.059 -0.006 0.000 0.899 132 L HN 0.243 nan 8.230 nan 0.000 0.433 133 A N -0.955 121.828 122.820 -0.062 0.000 1.933 133 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 133 A C 2.004 179.403 177.584 -0.309 0.000 1.175 133 A CA 1.729 53.665 52.037 -0.169 0.000 0.628 133 A CB -0.741 18.231 19.000 -0.046 0.000 0.814 133 A HN 0.524 nan 8.150 nan 0.000 0.444 134 D N -0.557 119.789 120.400 -0.089 0.000 2.078 134 D HA -0.148 4.492 4.640 -0.000 0.000 0.193 134 D C 2.355 178.611 176.300 -0.072 0.000 0.990 134 D CA 2.432 56.413 54.000 -0.032 0.000 0.827 134 D CB -0.793 40.064 40.800 0.095 0.000 0.975 134 D HN 0.537 nan 8.370 nan 0.000 0.451 135 T N -0.209 114.324 114.554 -0.036 0.000 2.833 135 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 135 T C 2.018 176.686 174.700 -0.053 0.000 1.054 135 T CA 0.753 62.841 62.100 -0.021 0.000 1.135 135 T CB -0.329 68.544 68.868 0.009 0.000 0.869 135 T HN -0.037 nan 8.240 nan 0.000 0.466 136 L N 1.292 122.447 121.223 -0.113 0.000 2.141 136 L HA 0.162 4.502 4.340 -0.000 0.000 0.209 136 L C 2.919 179.701 176.870 -0.146 0.000 1.094 136 L CA 1.692 56.443 54.840 -0.148 0.000 0.763 136 L CB -1.109 40.815 42.059 -0.226 0.000 0.908 136 L HN 0.428 nan 8.230 nan 0.000 0.437 137 S N -1.278 114.298 115.700 -0.207 0.000 2.356 137 S HA -0.223 4.247 4.470 -0.000 0.000 0.223 137 S C 1.914 176.473 174.600 -0.068 0.000 1.032 137 S CA 1.413 59.498 58.200 -0.190 0.000 1.005 137 S CB -0.069 62.938 63.200 -0.321 0.000 0.867 137 S HN 0.592 nan 8.310 nan 0.000 0.449 138 Q N 0.109 119.885 119.800 -0.041 0.000 2.020 138 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 138 Q C 2.575 178.583 176.000 0.013 0.000 0.982 138 Q CA 1.362 57.163 55.803 -0.004 0.000 0.838 138 Q CB -0.302 28.441 28.738 0.008 0.000 0.899 138 Q HN 0.537 nan 8.270 nan 0.000 0.423 139 Q N 0.347 120.165 119.800 0.031 0.000 2.061 139 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 139 Q C 2.183 178.255 176.000 0.119 0.000 0.984 139 Q CA 1.617 57.483 55.803 0.105 0.000 0.846 139 Q CB -0.509 28.291 28.738 0.103 0.000 0.902 139 Q HN 0.406 nan 8.270 nan 0.000 0.421 140 A N 0.997 123.844 122.820 0.046 0.000 1.892 140 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 140 A C 2.299 179.913 177.584 0.049 0.000 1.188 140 A CA 1.411 53.474 52.037 0.044 0.000 0.631 140 A CB -0.829 18.170 19.000 -0.002 0.000 0.822 140 A HN 0.315 nan 8.150 nan 0.000 0.447 141 L N -0.859 120.377 121.223 0.023 0.000 2.027 141 L HA -0.202 4.138 4.340 -0.000 0.000 0.206 141 L C 2.644 179.504 176.870 -0.016 0.000 1.074 141 L CA 1.951 56.797 54.840 0.010 0.000 0.745 141 L CB -0.444 41.618 42.059 0.005 0.000 0.898 141 L HN 0.504 nan 8.230 nan 0.000 0.433 142 K N -0.105 120.269 120.400 -0.044 0.000 2.074 142 K HA -0.228 4.092 4.320 -0.000 0.000 0.209 142 K C 1.083 177.511 176.600 -0.286 0.000 1.048 142 K CA 1.829 58.014 56.287 -0.171 0.000 0.926 142 K CB -0.071 32.296 32.500 -0.222 0.000 0.713 142 K HN 0.422 nan 8.250 nan 0.000 0.444 143 H N -1.162 117.916 119.070 0.012 0.000 2.488 143 H HA 0.324 4.880 4.556 -0.000 0.000 0.294 143 H C 0.949 176.283 175.328 0.009 0.000 1.088 143 H CA 0.219 56.275 56.048 0.013 0.000 1.086 143 H CB 0.885 30.659 29.762 0.021 0.000 1.569 143 H HN 0.318 nan 8.280 nan 0.000 0.548 144 A N 0.872 123.732 122.820 0.067 0.000 2.032 144 A HA -0.214 4.106 4.320 -0.000 0.000 0.221 144 A C 1.052 178.657 177.584 0.035 0.000 1.165 144 A CA 2.069 54.135 52.037 0.047 0.000 0.645 144 A CB -0.088 18.924 19.000 0.020 0.000 0.807 144 A HN 0.557 nan 8.150 nan 0.000 0.453 145 D N -2.508 117.911 120.400 0.031 0.000 2.582 145 D HA 0.116 4.756 4.640 -0.000 0.000 0.246 145 D C 0.390 176.705 176.300 0.026 0.000 1.334 145 D CA 0.363 54.371 54.000 0.013 0.000 0.805 145 D CB -1.115 39.676 40.800 -0.014 0.000 1.087 145 D HN 0.160 nan 8.370 nan 0.000 0.499 146 T N 1.247 115.843 114.554 0.070 0.000 2.737 146 T HA 0.344 4.694 4.350 -0.000 0.000 0.296 146 T C -2.525 172.206 174.700 0.052 0.000 0.922 146 T CA -1.482 60.666 62.100 0.080 0.000 1.079 146 T CB 1.066 70.037 68.868 0.172 0.000 0.892 146 T HN -0.103 nan 8.240 nan 0.000 0.514 147 P HA 0.398 nan 4.420 nan 0.000 0.279 147 P C -0.628 176.680 177.300 0.013 0.000 1.239 147 P CA -0.615 62.495 63.100 0.017 0.000 0.789 147 P CB 0.957 32.663 31.700 0.010 0.000 0.933 148 L N 1.228 122.451 121.223 0.001 0.000 2.424 148 L HA 0.646 4.986 4.340 -0.000 0.000 0.258 148 L C -0.401 176.444 176.870 -0.042 0.000 0.995 148 L CA -1.497 53.331 54.840 -0.020 0.000 0.821 148 L CB 1.727 43.769 42.059 -0.028 0.000 1.383 148 L HN 0.092 nan 8.230 nan 0.000 0.410 149 V N 1.381 121.236 119.914 -0.097 0.000 2.843 149 V HA 0.489 4.609 4.120 -0.000 0.000 0.305 149 V C 0.901 176.906 176.094 -0.148 0.000 1.065 149 V CA 0.752 62.953 62.300 -0.165 0.000 1.116 149 V CB 1.222 32.791 31.823 -0.422 0.000 0.968 149 V HN 0.988 nan 8.190 nan 0.000 0.487 150 G N 5.843 114.588 108.800 -0.091 0.000 2.415 150 G HA2 0.518 4.478 3.960 -0.000 0.000 0.269 150 G HA3 0.518 4.478 3.960 -0.000 0.000 0.269 150 G C -0.496 174.377 174.900 -0.045 0.000 1.209 150 G CA -0.682 44.395 45.100 -0.038 0.000 0.835 150 G HN 0.829 nan 8.290 nan 0.000 0.534 151 R N 1.123 121.623 120.500 0.001 0.000 2.409 151 R HA 0.425 4.765 4.340 -0.000 0.000 0.313 151 R C -0.939 175.422 176.300 0.101 0.000 0.953 151 R CA -0.536 55.594 56.100 0.051 0.000 0.849 151 R CB 1.962 32.287 30.300 0.042 0.000 1.171 151 R HN 0.430 nan 8.270 nan 0.000 0.458 152 T N 2.511 117.157 114.554 0.153 0.000 2.786 152 T HA 0.177 4.527 4.350 -0.000 0.000 0.283 152 T C -0.555 174.378 174.700 0.388 0.000 0.992 152 T CA -0.335 61.912 62.100 0.246 0.000 0.954 152 T CB 0.398 69.384 68.868 0.198 0.000 0.934 152 T HN 0.673 nan 8.240 nan 0.000 0.440 153 W N 3.833 125.145 121.300 0.019 0.000 5.271 153 W HA -0.242 4.418 4.660 0.000 0.000 0.364 153 W C 0.790 177.322 176.519 0.021 0.000 1.342 153 W CA 0.059 57.413 57.345 0.016 0.000 0.899 153 W CB -2.502 26.967 29.460 0.015 0.000 2.450 153 W HN 0.778 nan 8.180 nan 0.000 1.508 154 L N -2.940 118.407 121.223 0.206 0.000 4.759 154 L HA -0.339 4.001 4.340 -0.000 0.000 0.419 154 L C 1.089 178.059 176.870 0.165 0.000 1.093 154 L CA 1.215 56.143 54.840 0.146 0.000 1.037 154 L CB -1.286 40.836 42.059 0.105 0.000 2.095 154 L HN 0.153 nan 8.230 nan 0.000 0.739 155 Q N -0.500 119.414 119.800 0.189 0.000 2.266 155 Q HA 0.445 4.785 4.340 -0.000 0.000 0.261 155 Q C -0.098 176.045 176.000 0.238 0.000 0.985 155 Q CA -0.761 55.144 55.803 0.170 0.000 0.873 155 Q CB 1.307 30.105 28.738 0.101 0.000 1.306 155 Q HN 0.047 nan 8.270 nan 0.000 0.447 156 H N 0.493 119.582 119.070 0.031 0.000 2.928 156 H HA 0.386 4.942 4.556 -0.000 0.000 0.338 156 H C -0.306 175.041 175.328 0.032 0.000 1.047 156 H CA 0.342 56.407 56.048 0.030 0.000 1.435 156 H CB 0.530 30.302 29.762 0.018 0.000 1.428 156 H HN 0.693 nan 8.280 nan 0.000 0.590 157 A N 1.695 124.567 122.820 0.086 0.000 2.524 157 A HA 0.567 4.887 4.320 -0.000 0.000 0.286 157 A C -0.076 177.547 177.584 0.065 0.000 1.203 157 A CA -0.409 51.672 52.037 0.074 0.000 0.736 157 A CB 0.255 19.297 19.000 0.070 0.000 1.322 157 A HN 0.740 nan 8.150 nan 0.000 0.424 158 T N -0.005 114.606 114.554 0.095 0.000 2.906 158 T HA 0.347 4.697 4.350 -0.000 0.000 0.329 158 T C -2.280 172.471 174.700 0.085 0.000 1.091 158 T CA -0.315 61.866 62.100 0.136 0.000 1.127 158 T CB -0.665 68.314 68.868 0.184 0.000 1.035 158 T HN 0.369 nan 8.240 nan 0.000 0.547 159 P HA 0.315 nan 4.420 nan 0.000 0.269 159 P C -0.533 176.782 177.300 0.024 0.000 1.205 159 P CA -0.369 62.764 63.100 0.056 0.000 0.780 159 P CB 0.400 32.156 31.700 0.092 0.000 0.858 160 V N -0.095 119.828 119.914 0.014 0.000 3.226 160 V HA 0.496 4.616 4.120 -0.000 0.000 0.304 160 V C -0.386 175.718 176.094 0.018 0.000 1.336 160 V CA -0.433 61.879 62.300 0.021 0.000 1.066 160 V CB 2.613 34.451 31.823 0.026 0.000 1.087 160 V HN 0.492 nan 8.190 nan 0.000 0.451 161 T N 0.609 115.181 114.554 0.030 0.000 2.912 161 T HA 0.430 4.780 4.350 -0.000 0.000 0.288 161 T C 0.422 175.145 174.700 0.039 0.000 1.030 161 T CA -0.232 61.888 62.100 0.033 0.000 1.020 161 T CB 1.407 70.295 68.868 0.033 0.000 1.056 161 T HN 0.587 nan 8.240 nan 0.000 0.480 162 L N 4.237 125.482 121.223 0.036 0.000 2.083 162 L HA 0.208 4.548 4.340 -0.000 0.000 0.209 162 L C 2.308 179.204 176.870 0.044 0.000 1.083 162 L CA 2.523 57.371 54.840 0.014 0.000 0.752 162 L CB -0.904 41.123 42.059 -0.054 0.000 0.899 162 L HN 0.830 nan 8.230 nan 0.000 0.433 163 G N -0.896 107.956 108.800 0.087 0.000 2.408 163 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.217 163 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.217 163 G C 1.626 176.566 174.900 0.067 0.000 1.150 163 G CA 0.862 46.015 45.100 0.087 0.000 0.776 163 G HN 0.430 nan 8.290 nan 0.000 0.542 164 M N 0.159 119.806 119.600 0.079 0.000 2.080 164 M HA -0.069 4.411 4.480 -0.000 0.000 0.260 164 M C 2.607 178.948 176.300 0.068 0.000 1.068 164 M CA 1.681 57.048 55.300 0.111 0.000 1.109 164 M CB -0.175 32.510 32.600 0.142 0.000 1.342 164 M HN 0.154 nan 8.290 nan 0.000 0.405 165 K N 0.289 120.718 120.400 0.047 0.000 1.991 165 K HA -0.167 4.153 4.320 -0.000 0.000 0.212 165 K C 1.877 178.478 176.600 0.002 0.000 1.049 165 K CA 1.574 57.877 56.287 0.028 0.000 0.932 165 K CB -0.542 31.978 32.500 0.033 0.000 0.717 165 K HN 0.386 nan 8.250 nan 0.000 0.441 166 L N 0.700 121.922 121.223 -0.002 0.000 2.127 166 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 166 L C 2.584 179.399 176.870 -0.092 0.000 1.089 166 L CA 0.969 55.771 54.840 -0.063 0.000 0.757 166 L CB -0.641 41.394 42.059 -0.040 0.000 0.899 166 L HN 0.268 nan 8.230 nan 0.000 0.434 167 A N 0.331 123.128 122.820 -0.040 0.000 1.969 167 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 167 A C 2.419 179.958 177.584 -0.076 0.000 1.169 167 A CA 1.563 53.575 52.037 -0.042 0.000 0.635 167 A CB -1.051 17.963 19.000 0.024 0.000 0.810 167 A HN 0.437 nan 8.150 nan 0.000 0.445 168 G N -0.420 108.336 108.800 -0.072 0.000 2.418 168 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.217 168 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.217 168 G C 1.486 176.311 174.900 -0.125 0.000 1.158 168 G CA 1.282 46.323 45.100 -0.098 0.000 0.771 168 G HN 0.325 nan 8.290 nan 0.000 0.545 169 V N 0.799 120.627 119.914 -0.143 0.000 2.343 169 V HA -0.124 3.996 4.120 -0.000 0.000 0.247 169 V C 2.660 178.625 176.094 -0.215 0.000 1.051 169 V CA 1.527 63.709 62.300 -0.195 0.000 1.036 169 V CB -0.503 31.120 31.823 -0.333 0.000 0.654 169 V HN 0.351 nan 8.190 nan 0.000 0.451 170 L N 1.664 122.764 121.223 -0.204 0.000 2.012 170 L HA -0.058 4.282 4.340 -0.000 0.000 0.210 170 L C 2.369 179.133 176.870 -0.177 0.000 1.073 170 L CA 2.521 57.243 54.840 -0.196 0.000 0.748 170 L CB -1.458 40.497 42.059 -0.174 0.000 0.891 170 L HN 0.266 nan 8.230 nan 0.000 0.431 171 G N -0.916 107.791 108.800 -0.155 0.000 2.491 171 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.218 171 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.218 171 G C 1.616 176.382 174.900 -0.224 0.000 1.180 171 G CA 1.302 46.308 45.100 -0.156 0.000 0.774 171 G HN 0.700 nan 8.290 nan 0.000 0.562 172 A N 0.557 123.221 122.820 -0.260 0.000 1.883 172 A HA 0.030 4.350 4.320 -0.000 0.000 0.217 172 A C 2.487 179.655 177.584 -0.692 0.000 1.186 172 A CA 1.535 53.318 52.037 -0.424 0.000 0.624 172 A CB -0.494 18.331 19.000 -0.293 0.000 0.822 172 A HN 0.372 nan 8.150 nan 0.000 0.444 173 L N -0.755 120.219 121.223 -0.415 0.000 2.079 173 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 173 L C 2.763 179.453 176.870 -0.301 0.000 1.081 173 L CA 1.751 56.411 54.840 -0.299 0.000 0.752 173 L CB -1.008 40.952 42.059 -0.165 0.000 0.896 173 L HN 0.369 nan 8.230 nan 0.000 0.433 174 T N -0.837 113.540 114.554 -0.294 0.000 2.737 174 T HA -0.175 4.175 4.350 -0.000 0.000 0.265 174 T C 2.055 176.540 174.700 -0.359 0.000 1.038 174 T CA 1.131 63.028 62.100 -0.338 0.000 1.144 174 T CB -0.154 68.590 68.868 -0.206 0.000 0.866 174 T HN 0.249 nan 8.240 nan 0.000 0.434 175 R N -0.040 120.282 120.500 -0.296 0.000 2.127 175 R HA -0.086 4.254 4.340 -0.000 0.000 0.238 175 R C 2.265 178.502 176.300 -0.105 0.000 1.134 175 R CA 1.460 57.441 56.100 -0.199 0.000 0.975 175 R CB -0.273 29.908 30.300 -0.199 0.000 0.865 175 R HN 0.658 nan 8.270 nan 0.000 0.447 176 H N -0.888 118.114 119.070 -0.113 0.000 2.428 176 H HA 0.019 4.575 4.556 0.000 0.000 0.296 176 H C 2.089 177.368 175.328 -0.083 0.000 1.062 176 H CA 0.711 56.712 56.048 -0.078 0.000 1.350 176 H CB 0.195 29.915 29.762 -0.070 0.000 1.403 176 H HN 0.113 nan 8.280 nan 0.000 0.533 177 R N 0.706 121.153 120.500 -0.088 0.000 2.092 177 R HA -0.142 4.198 4.340 -0.000 0.000 0.231 177 R C 2.303 178.591 176.300 -0.019 0.000 1.119 177 R CA 1.135 57.143 56.100 -0.154 0.000 0.970 177 R CB -0.145 29.801 30.300 -0.591 0.000 0.864 177 R HN 0.434 nan 8.270 nan 0.000 0.440 178 Q N 1.023 120.772 119.800 -0.084 0.000 2.050 178 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 178 Q C 2.087 178.173 176.000 0.143 0.000 0.980 178 Q CA 1.526 57.425 55.803 0.161 0.000 0.840 178 Q CB 0.119 28.906 28.738 0.082 0.000 0.898 178 Q HN 0.282 nan 8.270 nan 0.000 0.424 179 R N -0.267 120.293 120.500 0.099 0.000 2.073 179 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 179 R C 2.278 178.644 176.300 0.110 0.000 1.134 179 R CA 1.117 57.276 56.100 0.099 0.000 0.952 179 R CB -0.300 30.060 30.300 0.099 0.000 0.850 179 R HN 0.213 nan 8.270 nan 0.000 0.433 180 L N 1.270 122.568 121.223 0.125 0.000 2.131 180 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 180 L C 2.412 179.361 176.870 0.132 0.000 1.092 180 L CA 1.663 56.591 54.840 0.146 0.000 0.759 180 L CB -0.834 41.319 42.059 0.157 0.000 0.903 180 L HN 0.253 nan 8.230 nan 0.000 0.435 181 Q N -0.674 119.217 119.800 0.152 0.000 2.083 181 Q HA -0.181 4.159 4.340 -0.000 0.000 0.198 181 Q C 1.944 177.995 176.000 0.086 0.000 0.969 181 Q CA 1.392 57.277 55.803 0.137 0.000 0.838 181 Q CB 0.153 29.015 28.738 0.206 0.000 0.900 181 Q HN 0.569 nan 8.270 nan 0.000 0.436 182 E N 0.221 120.474 120.200 0.087 0.000 2.152 182 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 182 E C 1.933 178.555 176.600 0.037 0.000 0.983 182 E CA 1.097 57.531 56.400 0.056 0.000 0.818 182 E CB -0.055 29.680 29.700 0.058 0.000 0.758 182 E HN 0.383 nan 8.360 nan 0.000 0.467 183 L N -0.746 120.506 121.223 0.047 0.000 2.418 183 L HA 0.178 4.518 4.340 -0.000 0.000 0.218 183 L C 2.175 179.041 176.870 -0.006 0.000 1.125 183 L CA 0.961 55.817 54.840 0.026 0.000 0.835 183 L CB -0.362 41.734 42.059 0.061 0.000 0.953 183 L HN -0.165 nan 8.230 nan 0.000 0.454 184 R N 1.360 121.863 120.500 0.005 0.000 2.112 184 R HA -0.123 4.217 4.340 -0.000 0.000 0.242 184 R C -0.353 175.920 176.300 -0.045 0.000 1.137 184 R CA 2.483 58.569 56.100 -0.024 0.000 0.944 184 R CB -1.531 28.770 30.300 0.001 0.000 0.857 184 R HN 0.443 nan 8.270 nan 0.000 0.435 185 P HA -0.153 nan 4.420 nan 0.000 0.223 185 P C 0.667 177.928 177.300 -0.064 0.000 1.151 185 P CA 1.295 64.371 63.100 -0.039 0.000 0.787 185 P CB -0.053 31.632 31.700 -0.025 0.000 0.788 186 R N -0.634 119.822 120.500 -0.074 0.000 2.080 186 R HA 0.006 4.346 4.340 -0.000 0.000 0.222 186 R C 2.389 178.581 176.300 -0.179 0.000 1.107 186 R CA 0.571 56.604 56.100 -0.113 0.000 0.980 186 R CB -0.671 29.577 30.300 -0.087 0.000 0.879 186 R HN 0.068 nan 8.270 nan 0.000 0.439 187 L N 1.019 122.143 121.223 -0.164 0.000 2.072 187 L HA 0.031 4.371 4.340 -0.000 0.000 0.205 187 L C 0.657 177.409 176.870 -0.197 0.000 1.079 187 L CA 1.510 56.219 54.840 -0.218 0.000 0.752 187 L CB -0.130 41.796 42.059 -0.222 0.000 0.906 187 L HN 0.075 nan 8.230 nan 0.000 0.436 188 L N 2.204 123.347 121.223 -0.134 0.000 2.416 188 L HA 0.177 4.517 4.340 -0.000 0.000 0.243 188 L C -0.437 176.410 176.870 -0.038 0.000 1.373 188 L CA -0.557 54.237 54.840 -0.077 0.000 1.227 188 L CB -0.864 41.158 42.059 -0.061 0.000 1.428 188 L HN 0.098 nan 8.230 nan 0.000 0.425 189 V N -0.932 118.965 119.914 -0.028 0.000 2.919 189 V HA 0.547 4.667 4.120 -0.000 0.000 0.316 189 V C -0.226 176.000 176.094 0.218 0.000 1.077 189 V CA -1.251 61.078 62.300 0.048 0.000 0.977 189 V CB 2.434 34.230 31.823 -0.045 0.000 1.039 189 V HN 0.249 nan 8.190 nan 0.000 0.441 190 L N 1.796 123.162 121.223 0.237 0.000 2.395 190 L HA 0.606 4.945 4.340 -0.000 0.000 0.269 190 L C -0.009 177.087 176.870 0.377 0.000 1.133 190 L CA 0.172 55.174 54.840 0.269 0.000 0.812 190 L CB 1.238 43.410 42.059 0.189 0.000 1.125 190 L HN 0.970 nan 8.230 nan 0.000 0.452 191 Q N 3.846 123.772 119.800 0.211 0.000 2.425 191 Q HA 0.385 4.725 4.340 -0.000 0.000 0.254 191 Q C -1.928 174.116 176.000 0.074 0.000 1.032 191 Q CA -0.014 55.734 55.803 -0.091 0.000 0.798 191 Q CB 0.542 29.000 28.738 -0.467 0.000 1.210 191 Q HN 0.523 nan 8.270 nan 0.000 0.491 192 F N 3.079 122.976 119.950 -0.088 0.000 2.902 192 F HA 0.650 5.178 4.527 0.000 0.000 0.368 192 F C 0.204 175.978 175.800 -0.043 0.000 1.202 192 F CA -0.631 57.373 58.000 0.006 0.000 1.109 192 F CB 1.286 40.347 39.000 0.101 0.000 1.418 192 F HN 0.544 nan 8.300 nan 0.000 0.527 193 G N 1.912 110.565 108.800 -0.245 0.000 2.797 193 G HA2 0.452 4.412 3.960 -0.000 0.000 0.209 193 G HA3 0.452 4.412 3.960 -0.000 0.000 0.209 193 G C 0.584 175.372 174.900 -0.187 0.000 1.080 193 G CA 0.311 45.264 45.100 -0.246 0.000 0.897 193 G HN 1.392 nan 8.290 nan 0.000 0.641 194 G N -0.421 108.280 108.800 -0.165 0.000 2.829 194 G HA2 0.244 4.204 3.960 -0.000 0.000 0.628 194 G HA3 0.244 4.204 3.960 -0.000 0.000 0.628 194 G C 1.216 176.065 174.900 -0.085 0.000 1.412 194 G CA 0.462 45.468 45.100 -0.156 0.000 0.864 194 G HN 1.355 nan 8.290 nan 0.000 0.544 195 A N -0.328 122.439 122.820 -0.088 0.000 1.942 195 A HA -0.140 4.180 4.320 -0.000 0.000 0.227 195 A C 2.485 180.012 177.584 -0.095 0.000 1.445 195 A CA 4.190 56.176 52.037 -0.085 0.000 0.704 195 A CB -0.821 18.147 19.000 -0.053 0.000 0.841 195 A HN 2.625 nan 8.150 nan 0.000 0.495 196 S N -3.698 111.968 115.700 -0.057 0.000 2.846 196 S HA 0.473 4.943 4.470 -0.000 0.000 0.249 196 S C 1.137 175.747 174.600 0.016 0.000 1.028 196 S CA 0.896 59.079 58.200 -0.029 0.000 1.043 196 S CB 0.148 63.327 63.200 -0.035 0.000 0.990 196 S HN 2.279 nan 8.310 nan 0.000 0.564 197 G N 1.870 110.693 108.800 0.040 0.000 2.162 197 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.260 197 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.260 197 G C 0.950 175.810 174.900 -0.065 0.000 0.976 197 G CA 0.702 45.798 45.100 -0.005 0.000 0.655 197 G HN 1.381 nan 8.290 nan 0.000 0.533 198 S N -0.973 114.689 115.700 -0.063 0.000 2.503 198 S HA 0.367 4.837 4.470 -0.000 0.000 0.217 198 S C 1.450 175.995 174.600 -0.092 0.000 0.999 198 S CA 0.949 59.111 58.200 -0.064 0.000 0.914 198 S CB 0.249 63.422 63.200 -0.046 0.000 0.782 198 S HN 1.316 nan 8.310 nan 0.000 0.520 199 L N 0.037 121.176 121.223 -0.139 0.000 4.179 199 L HA -0.271 4.069 4.340 -0.000 0.000 0.418 199 L C 1.616 178.418 176.870 -0.113 0.000 1.168 199 L CA 0.258 54.981 54.840 -0.196 0.000 0.972 199 L CB -2.035 39.884 42.059 -0.232 0.000 2.005 199 L HN 0.454 nan 8.230 nan 0.000 0.935 200 A N -0.835 121.938 122.820 -0.078 0.000 1.978 200 A HA 0.017 4.337 4.320 -0.000 0.000 0.220 200 A C 2.381 179.942 177.584 -0.039 0.000 1.170 200 A CA 2.258 54.266 52.037 -0.048 0.000 0.636 200 A CB -0.442 18.535 19.000 -0.038 0.000 0.810 200 A HN 0.971 nan 8.150 nan 0.000 0.448 201 A N -0.467 122.325 122.820 -0.047 0.000 2.024 201 A HA -0.045 4.275 4.320 -0.000 0.000 0.220 201 A C 1.911 179.488 177.584 -0.012 0.000 1.164 201 A CA 1.497 53.517 52.037 -0.029 0.000 0.643 201 A CB -0.487 18.494 19.000 -0.032 0.000 0.806 201 A HN 0.506 nan 8.150 nan 0.000 0.451 202 L N -1.487 119.726 121.223 -0.017 0.000 2.592 202 L HA 0.236 4.576 4.340 -0.000 0.000 0.227 202 L C 1.742 178.620 176.870 0.013 0.000 1.127 202 L CA 0.145 54.993 54.840 0.013 0.000 0.884 202 L CB -0.815 41.266 42.059 0.036 0.000 1.065 202 L HN 0.604 nan 8.230 nan 0.000 0.457 203 G N 1.305 110.105 108.800 -0.000 0.000 2.611 203 G HA2 -0.441 3.519 3.960 -0.000 0.000 0.301 203 G HA3 -0.441 3.519 3.960 -0.000 0.000 0.301 203 G C 0.942 175.846 174.900 0.007 0.000 1.233 203 G CA 0.679 45.781 45.100 0.003 0.000 0.993 203 G HN 0.425 nan 8.290 nan 0.000 0.553 204 S N -0.038 115.669 115.700 0.011 0.000 2.561 204 S HA 0.122 4.592 4.470 -0.000 0.000 0.225 204 S C 1.579 176.192 174.600 0.022 0.000 0.977 204 S CA 1.580 59.788 58.200 0.014 0.000 0.926 204 S CB 0.184 63.392 63.200 0.012 0.000 0.769 204 S HN 0.558 nan 8.310 nan 0.000 0.533 205 K N 1.331 121.748 120.400 0.027 0.000 2.458 205 K HA 0.415 4.735 4.320 -0.000 0.000 0.194 205 K C 1.835 178.471 176.600 0.059 0.000 1.024 205 K CA 0.567 56.876 56.287 0.037 0.000 1.108 205 K CB -0.415 32.107 32.500 0.036 0.000 0.846 205 K HN 0.457 nan 8.250 nan 0.000 0.518 206 A N 1.694 124.546 122.820 0.054 0.000 1.841 206 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 206 A C 2.132 179.784 177.584 0.113 0.000 1.199 206 A CA 1.433 53.515 52.037 0.076 0.000 0.621 206 A CB -0.288 18.726 19.000 0.023 0.000 0.835 206 A HN 0.108 nan 8.150 nan 0.000 0.445 207 M N -0.711 118.933 119.600 0.073 0.000 2.117 207 M HA -0.070 4.410 4.480 -0.000 0.000 0.262 207 M C -0.320 176.021 176.300 0.069 0.000 1.065 207 M CA 1.532 56.877 55.300 0.074 0.000 1.114 207 M CB -2.417 30.211 32.600 0.047 0.000 1.361 207 M HN 0.162 nan 8.290 nan 0.000 0.408 208 P HA -0.079 nan 4.420 nan 0.000 0.216 208 P C 1.974 179.292 177.300 0.030 0.000 1.153 208 P CA 1.068 64.188 63.100 0.034 0.000 0.848 208 P CB -0.028 31.687 31.700 0.025 0.000 0.787 209 V N -0.066 119.881 119.914 0.055 0.000 2.427 209 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 209 V C 2.409 178.496 176.094 -0.011 0.000 1.051 209 V CA 2.100 64.416 62.300 0.027 0.000 1.048 209 V CB -1.680 30.199 31.823 0.093 0.000 0.666 209 V HN 0.089 nan 8.190 nan 0.000 0.456 210 A N -0.033 122.859 122.820 0.120 0.000 1.877 210 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 210 A C 2.184 179.781 177.584 0.021 0.000 1.186 210 A CA 1.887 53.999 52.037 0.126 0.000 0.620 210 A CB -0.435 18.734 19.000 0.282 0.000 0.822 210 A HN 0.625 nan 8.150 nan 0.000 0.443 211 E N -0.183 120.035 120.200 0.030 0.000 2.072 211 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 211 E C 2.331 178.918 176.600 -0.022 0.000 0.985 211 E CA 0.900 57.307 56.400 0.011 0.000 0.801 211 E CB -0.332 29.378 29.700 0.017 0.000 0.750 211 E HN 0.602 nan 8.360 nan 0.000 0.452 212 A N 1.609 124.406 122.820 -0.038 0.000 1.902 212 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 212 A C 2.203 179.730 177.584 -0.095 0.000 1.181 212 A CA 1.093 53.095 52.037 -0.058 0.000 0.623 212 A CB -0.512 18.451 19.000 -0.063 0.000 0.818 212 A HN 0.207 nan 8.150 nan 0.000 0.443 213 L N -0.299 120.834 121.223 -0.150 0.000 2.056 213 L HA -0.025 4.315 4.340 -0.000 0.000 0.207 213 L C 2.672 179.470 176.870 -0.121 0.000 1.078 213 L CA 2.147 56.858 54.840 -0.215 0.000 0.749 213 L CB -0.954 40.853 42.059 -0.420 0.000 0.901 213 L HN 0.345 nan 8.230 nan 0.000 0.433 214 A N -0.692 122.088 122.820 -0.067 0.000 1.865 214 A HA -0.292 4.028 4.320 -0.000 0.000 0.217 214 A C 2.329 179.903 177.584 -0.017 0.000 1.191 214 A CA 1.880 53.910 52.037 -0.012 0.000 0.623 214 A CB -0.913 18.096 19.000 0.016 0.000 0.826 214 A HN 0.606 nan 8.150 nan 0.000 0.444 215 E N -0.863 119.323 120.200 -0.024 0.000 2.070 215 E HA -0.284 4.066 4.350 -0.000 0.000 0.197 215 E C 2.184 178.767 176.600 -0.028 0.000 1.004 215 E CA 1.467 57.855 56.400 -0.021 0.000 0.805 215 E CB -0.149 29.538 29.700 -0.022 0.000 0.744 215 E HN 0.561 nan 8.360 nan 0.000 0.451 216 Q N -0.006 119.766 119.800 -0.046 0.000 2.112 216 Q HA -0.152 4.188 4.340 -0.000 0.000 0.206 216 Q C 2.234 178.212 176.000 -0.037 0.000 0.987 216 Q CA 1.226 56.998 55.803 -0.052 0.000 0.858 216 Q CB -0.143 28.543 28.738 -0.087 0.000 0.905 216 Q HN 0.423 nan 8.270 nan 0.000 0.420 217 L N 0.106 121.312 121.223 -0.028 0.000 2.592 217 L HA 0.089 4.429 4.340 -0.000 0.000 0.227 217 L C 0.259 177.130 176.870 0.003 0.000 1.127 217 L CA -0.024 54.813 54.840 -0.004 0.000 0.884 217 L CB 0.079 42.151 42.059 0.021 0.000 1.065 217 L HN 0.132 nan 8.230 nan 0.000 0.457 218 K N 0.887 121.284 120.400 -0.004 0.000 3.096 218 K HA -0.168 4.152 4.320 -0.000 0.000 0.266 218 K C -0.566 176.036 176.600 0.004 0.000 1.043 218 K CA 0.497 56.783 56.287 -0.002 0.000 0.758 218 K CB -1.486 31.011 32.500 -0.004 0.000 1.260 218 K HN 0.296 nan 8.250 nan 0.000 0.481 219 L N -0.163 121.068 121.223 0.013 0.000 2.341 219 L HA 0.390 4.730 4.340 -0.000 0.000 0.267 219 L C 0.763 177.647 176.870 0.023 0.000 1.009 219 L CA -1.012 53.841 54.840 0.023 0.000 0.819 219 L CB 2.079 44.168 42.059 0.050 0.000 1.323 219 L HN -0.058 nan 8.230 nan 0.000 0.425 220 T N 1.802 116.367 114.554 0.020 0.000 2.899 220 T HA 0.318 4.668 4.350 -0.000 0.000 0.295 220 T C -0.409 174.318 174.700 0.045 0.000 1.033 220 T CA -0.293 61.819 62.100 0.019 0.000 1.084 220 T CB 1.175 70.043 68.868 -0.001 0.000 0.979 220 T HN 0.185 nan 8.240 nan 0.000 0.532 221 L N 5.545 126.796 121.223 0.046 0.000 2.264 221 L HA 0.448 4.788 4.340 -0.000 0.000 0.289 221 L C -1.950 174.958 176.870 0.065 0.000 1.044 221 L CA -1.918 52.966 54.840 0.074 0.000 0.807 221 L CB 0.536 42.635 42.059 0.066 0.000 1.192 221 L HN 0.411 nan 8.230 nan 0.000 0.425 222 P HA 0.112 nan 4.420 nan 0.000 0.274 222 P C 0.046 177.382 177.300 0.060 0.000 1.256 222 P CA -0.332 62.805 63.100 0.061 0.000 0.795 222 P CB 0.584 32.348 31.700 0.107 0.000 1.038 223 E N 0.913 121.134 120.200 0.034 0.000 2.160 223 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 223 E C 0.285 176.910 176.600 0.043 0.000 0.991 223 E CA 1.429 57.847 56.400 0.031 0.000 0.810 223 E CB 0.051 29.760 29.700 0.016 0.000 0.742 223 E HN 0.732 nan 8.360 nan 0.000 0.466 224 Q N -1.002 118.837 119.800 0.065 0.000 2.633 224 Q HA 0.549 4.889 4.340 -0.000 0.000 0.289 224 Q C -3.091 172.972 176.000 0.105 0.000 0.940 224 Q CA -2.149 53.689 55.803 0.058 0.000 0.785 224 Q CB 1.263 30.021 28.738 0.033 0.000 1.467 224 Q HN -0.238 nan 8.270 nan 0.000 0.401 225 P HA 0.033 nan 4.420 nan 0.000 0.271 225 P C -0.751 176.511 177.300 -0.062 0.000 1.233 225 P CA -0.067 62.949 63.100 -0.140 0.000 0.789 225 P CB 0.220 31.683 31.700 -0.396 0.000 0.951 226 W N 1.253 122.377 121.300 -0.294 0.000 1.187 226 W HA 0.258 4.918 4.660 0.000 0.000 0.297 226 W C 0.072 176.499 176.519 -0.154 0.000 0.842 226 W CA -0.227 57.012 57.345 -0.177 0.000 2.286 226 W CB -1.564 27.840 29.460 -0.092 0.000 1.736 226 W HN 0.403 nan 8.180 nan 0.000 0.507 227 H N 1.635 120.528 119.070 -0.295 0.000 2.387 227 H HA -0.116 4.440 4.556 -0.000 0.000 0.299 227 H C 1.744 176.917 175.328 -0.258 0.000 1.099 227 H CA 2.605 58.418 56.048 -0.392 0.000 1.315 227 H CB -0.424 29.119 29.762 -0.366 0.000 1.380 227 H HN 0.259 nan 8.280 nan 0.000 0.513 228 T N -1.869 112.693 114.554 0.013 0.000 3.200 228 T HA 0.157 4.507 4.350 -0.000 0.000 0.284 228 T C 0.377 175.123 174.700 0.077 0.000 1.009 228 T CA -0.430 61.683 62.100 0.022 0.000 0.907 228 T CB 0.564 69.439 68.868 0.012 0.000 1.120 228 T HN -0.055 nan 8.240 nan 0.000 0.534 229 Q N 1.814 121.699 119.800 0.142 0.000 2.456 229 Q HA 0.397 4.737 4.340 -0.000 0.000 0.252 229 Q C 0.136 176.270 176.000 0.222 0.000 1.042 229 Q CA -0.374 55.518 55.803 0.149 0.000 0.766 229 Q CB 1.416 30.240 28.738 0.143 0.000 1.196 229 Q HN 0.269 nan 8.270 nan 0.000 0.504 230 R N 1.343 121.941 120.500 0.163 0.000 2.388 230 R HA 0.011 4.351 4.340 -0.000 0.000 0.247 230 R C 0.815 177.152 176.300 0.063 0.000 0.931 230 R CA 0.040 56.247 56.100 0.179 0.000 1.082 230 R CB 0.251 30.650 30.300 0.166 0.000 1.135 230 R HN 0.570 nan 8.270 nan 0.000 0.525 231 D N 1.104 121.514 120.400 0.017 0.000 2.190 231 D HA -0.234 4.406 4.640 -0.000 0.000 0.200 231 D C 1.443 177.702 176.300 -0.069 0.000 0.992 231 D CA 0.936 54.919 54.000 -0.029 0.000 0.854 231 D CB -0.095 40.695 40.800 -0.016 0.000 0.936 231 D HN 0.180 nan 8.370 nan 0.000 0.462 232 R N 0.172 120.592 120.500 -0.134 0.000 2.083 232 R HA -0.024 4.316 4.340 -0.000 0.000 0.237 232 R C 2.809 179.059 176.300 -0.084 0.000 1.137 232 R CA 1.131 57.115 56.100 -0.193 0.000 0.951 232 R CB -0.330 29.691 30.300 -0.466 0.000 0.851 232 R HN 0.272 nan 8.270 nan 0.000 0.434 233 L N 0.065 121.274 121.223 -0.023 0.000 2.056 233 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 233 L C 2.385 179.283 176.870 0.048 0.000 1.078 233 L CA 0.869 55.760 54.840 0.085 0.000 0.749 233 L CB -0.448 41.713 42.059 0.169 0.000 0.901 233 L HN 0.039 nan 8.230 nan 0.000 0.433 234 V N 0.161 120.036 119.914 -0.065 0.000 2.407 234 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 234 V C 2.493 178.461 176.094 -0.210 0.000 1.055 234 V CA 1.971 64.122 62.300 -0.248 0.000 1.049 234 V CB -0.545 31.008 31.823 -0.450 0.000 0.662 234 V HN 0.541 nan 8.190 nan 0.000 0.455 235 E N 0.163 120.313 120.200 -0.083 0.000 2.031 235 E HA -0.288 4.062 4.350 -0.000 0.000 0.193 235 E C 2.160 178.791 176.600 0.052 0.000 0.994 235 E CA 1.736 58.131 56.400 -0.009 0.000 0.800 235 E CB -0.311 29.399 29.700 0.016 0.000 0.752 235 E HN 0.483 nan 8.360 nan 0.000 0.447 236 F N 1.530 121.439 119.950 -0.068 0.000 2.091 236 F HA -0.180 4.347 4.527 -0.000 0.000 0.299 236 F C 2.124 177.895 175.800 -0.048 0.000 1.103 236 F CA 1.804 59.779 58.000 -0.043 0.000 1.228 236 F CB -0.880 38.105 39.000 -0.025 0.000 0.984 236 F HN 0.133 nan 8.300 nan 0.000 0.477 237 A N -0.937 121.781 122.820 -0.170 0.000 1.933 237 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 237 A C 2.404 179.851 177.584 -0.227 0.000 1.175 237 A CA 1.960 53.825 52.037 -0.287 0.000 0.628 237 A CB -1.445 17.453 19.000 -0.169 0.000 0.814 237 A HN 0.486 nan 8.150 nan 0.000 0.444 238 S N -0.648 114.969 115.700 -0.137 0.000 2.382 238 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 238 S C 1.854 176.400 174.600 -0.090 0.000 1.027 238 S CA 1.596 59.771 58.200 -0.041 0.000 0.991 238 S CB -0.440 62.805 63.200 0.074 0.000 0.823 238 S HN 0.296 nan 8.310 nan 0.000 0.469 239 V N 1.584 121.422 119.914 -0.127 0.000 2.453 239 V HA -0.057 4.063 4.120 -0.000 0.000 0.247 239 V C 2.385 178.317 176.094 -0.269 0.000 1.048 239 V CA 1.235 63.440 62.300 -0.159 0.000 1.049 239 V CB -0.666 31.111 31.823 -0.076 0.000 0.672 239 V HN 0.376 nan 8.190 nan 0.000 0.457 240 L N 1.207 122.229 121.223 -0.336 0.000 2.131 240 L HA -0.056 4.284 4.340 -0.000 0.000 0.210 240 L C 2.484 179.205 176.870 -0.249 0.000 1.092 240 L CA 2.158 56.797 54.840 -0.334 0.000 0.759 240 L CB -1.421 40.370 42.059 -0.448 0.000 0.903 240 L HN 0.353 nan 8.230 nan 0.000 0.435 241 G N -1.188 107.488 108.800 -0.207 0.000 2.418 241 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 241 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 241 G C 1.538 176.344 174.900 -0.156 0.000 1.158 241 G CA 0.433 45.447 45.100 -0.143 0.000 0.771 241 G HN 0.225 nan 8.290 nan 0.000 0.545 242 L N 0.654 121.750 121.223 -0.213 0.000 2.046 242 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 242 L C 3.150 179.785 176.870 -0.393 0.000 1.077 242 L CA 0.832 55.508 54.840 -0.273 0.000 0.747 242 L CB -0.938 40.906 42.059 -0.358 0.000 0.896 242 L HN 0.108 nan 8.230 nan 0.000 0.432 243 V N -0.350 119.266 119.914 -0.497 0.000 2.295 243 V HA -0.305 3.815 4.120 -0.000 0.000 0.246 243 V C 2.719 178.750 176.094 -0.105 0.000 1.049 243 V CA 1.619 63.736 62.300 -0.306 0.000 1.024 243 V CB -1.167 30.526 31.823 -0.217 0.000 0.648 243 V HN 0.504 nan 8.190 nan 0.000 0.447 244 A N 0.468 123.218 122.820 -0.116 0.000 1.908 244 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 244 A C 2.421 179.978 177.584 -0.045 0.000 1.181 244 A CA 2.070 54.063 52.037 -0.073 0.000 0.627 244 A CB -1.265 17.679 19.000 -0.094 0.000 0.818 244 A HN 0.541 nan 8.150 nan 0.000 0.445 245 G N -0.843 107.926 108.800 -0.052 0.000 2.421 245 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.216 245 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.216 245 G C 1.841 176.751 174.900 0.017 0.000 1.171 245 G CA 1.327 46.413 45.100 -0.024 0.000 0.775 245 G HN 0.496 nan 8.290 nan 0.000 0.543 246 S N 0.487 116.222 115.700 0.058 0.000 2.355 246 S HA 0.020 4.490 4.470 -0.000 0.000 0.222 246 S C 2.277 176.935 174.600 0.096 0.000 1.031 246 S CA 0.723 58.981 58.200 0.095 0.000 0.993 246 S CB -0.270 63.047 63.200 0.195 0.000 0.859 246 S HN 0.285 nan 8.310 nan 0.000 0.453 247 L N 1.057 122.337 121.223 0.095 0.000 2.191 247 L HA -0.060 4.280 4.340 -0.000 0.000 0.212 247 L C 2.643 179.585 176.870 0.121 0.000 1.103 247 L CA 1.024 55.950 54.840 0.144 0.000 0.769 247 L CB -1.037 41.085 42.059 0.105 0.000 0.908 247 L HN 0.422 nan 8.230 nan 0.000 0.438 248 G N -0.269 108.562 108.800 0.051 0.000 2.408 248 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 248 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 248 G C 1.745 176.659 174.900 0.023 0.000 1.150 248 G CA 0.259 45.367 45.100 0.012 0.000 0.776 248 G HN 0.141 nan 8.290 nan 0.000 0.542 249 K N -0.035 120.396 120.400 0.052 0.000 2.057 249 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 249 K C 2.137 178.801 176.600 0.107 0.000 1.050 249 K CA 0.780 57.099 56.287 0.053 0.000 0.935 249 K CB -0.435 32.095 32.500 0.049 0.000 0.715 249 K HN 0.246 nan 8.250 nan 0.000 0.439 250 F N 1.454 121.387 119.950 -0.027 0.000 2.095 250 F HA -0.077 4.450 4.527 -0.000 0.000 0.298 250 F C 2.088 177.873 175.800 -0.026 0.000 1.104 250 F CA 1.876 59.861 58.000 -0.027 0.000 1.232 250 F CB -1.018 37.969 39.000 -0.020 0.000 0.987 250 F HN 0.096 nan 8.300 nan 0.000 0.475 251 G N -0.286 108.422 108.800 -0.155 0.000 2.422 251 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.218 251 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.218 251 G C 1.766 176.559 174.900 -0.180 0.000 1.146 251 G CA 0.927 45.877 45.100 -0.251 0.000 0.769 251 G HN 0.354 nan 8.290 nan 0.000 0.547 252 R N 0.855 121.296 120.500 -0.098 0.000 2.073 252 R HA -0.051 4.289 4.340 -0.000 0.000 0.234 252 R C 2.081 178.329 176.300 -0.087 0.000 1.134 252 R CA 1.868 57.922 56.100 -0.076 0.000 0.952 252 R CB -0.645 29.628 30.300 -0.046 0.000 0.850 252 R HN 0.210 nan 8.270 nan 0.000 0.433 253 D N 0.203 120.559 120.400 -0.074 0.000 2.123 253 D HA -0.150 4.490 4.640 -0.000 0.000 0.196 253 D C 1.833 178.059 176.300 -0.124 0.000 0.992 253 D CA 1.278 55.240 54.000 -0.063 0.000 0.833 253 D CB -0.113 40.693 40.800 0.010 0.000 0.954 253 D HN 0.209 nan 8.370 nan 0.000 0.455 254 I N 1.175 121.611 120.570 -0.223 0.000 2.142 254 I HA -0.239 3.931 4.170 -0.000 0.000 0.240 254 I C 2.581 178.583 176.117 -0.191 0.000 1.078 254 I CA 1.205 62.352 61.300 -0.255 0.000 1.343 254 I CB -1.474 36.296 38.000 -0.383 0.000 1.046 254 I HN 0.035 nan 8.210 nan 0.000 0.405 255 S N 1.247 116.853 115.700 -0.156 0.000 2.383 255 S HA -0.162 4.308 4.470 -0.000 0.000 0.229 255 S C 2.073 176.614 174.600 -0.098 0.000 1.030 255 S CA 1.137 59.272 58.200 -0.108 0.000 1.002 255 S CB -0.900 62.253 63.200 -0.079 0.000 0.829 255 S HN 0.461 nan 8.310 nan 0.000 0.467 256 L N 0.295 121.461 121.223 -0.094 0.000 2.179 256 L HA 0.162 4.502 4.340 -0.000 0.000 0.208 256 L C 2.503 179.314 176.870 -0.099 0.000 1.096 256 L CA 0.687 55.483 54.840 -0.073 0.000 0.779 256 L CB -0.379 41.650 42.059 -0.050 0.000 0.922 256 L HN 0.319 nan 8.230 nan 0.000 0.443 257 L N -1.067 120.070 121.223 -0.143 0.000 2.217 257 L HA -0.122 4.218 4.340 -0.000 0.000 0.211 257 L C 2.291 178.965 176.870 -0.327 0.000 1.107 257 L CA 0.955 55.676 54.840 -0.199 0.000 0.783 257 L CB -0.180 41.757 42.059 -0.204 0.000 0.919 257 L HN 0.333 nan 8.230 nan 0.000 0.442 258 M N -0.895 118.517 119.600 -0.314 0.000 2.618 258 M HA -0.022 4.458 4.480 -0.000 0.000 0.240 258 M C 0.556 176.757 176.300 -0.165 0.000 1.123 258 M CA 0.339 55.413 55.300 -0.378 0.000 1.060 258 M CB 0.121 32.597 32.600 -0.206 0.000 1.535 258 M HN 0.232 nan 8.290 nan 0.000 0.507 259 Q N -0.018 119.714 119.800 -0.113 0.000 2.369 259 Q HA -0.063 4.277 4.340 -0.000 0.000 0.295 259 Q C 1.109 177.107 176.000 -0.004 0.000 1.075 259 Q CA 0.338 56.118 55.803 -0.038 0.000 0.941 259 Q CB 0.843 29.563 28.738 -0.029 0.000 1.260 259 Q HN 0.253 nan 8.270 nan 0.000 0.417 260 T N 1.685 116.258 114.554 0.031 0.000 2.720 260 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 260 T C 1.085 175.814 174.700 0.049 0.000 1.037 260 T CA 1.668 63.802 62.100 0.058 0.000 1.144 260 T CB -0.029 68.869 68.868 0.049 0.000 0.864 260 T HN 0.652 nan 8.240 nan 0.000 0.444 261 E N 1.118 121.337 120.200 0.031 0.000 2.511 261 E HA 0.219 4.569 4.350 -0.000 0.000 0.196 261 E C 1.556 178.176 176.600 0.034 0.000 1.066 261 E CA 0.563 56.982 56.400 0.031 0.000 0.871 261 E CB -0.127 29.586 29.700 0.022 0.000 0.863 261 E HN 0.584 nan 8.360 nan 0.000 0.520 262 A N 1.128 123.959 122.820 0.018 0.000 1.989 262 A HA 0.454 4.774 4.320 -0.000 0.000 0.201 262 A C 1.777 179.354 177.584 -0.011 0.000 1.720 262 A CA 0.526 52.564 52.037 0.003 0.000 0.956 262 A CB -0.513 18.467 19.000 -0.033 0.000 1.094 262 A HN 0.276 nan 8.150 nan 0.000 0.561 263 G N 0.565 109.328 108.800 -0.062 0.000 2.412 263 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.297 263 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.297 263 G C 0.321 175.172 174.900 -0.081 0.000 0.965 263 G CA 1.055 46.129 45.100 -0.044 0.000 1.134 263 G HN 0.680 nan 8.290 nan 0.000 0.511 264 E N -1.796 118.242 120.200 -0.271 0.000 2.290 264 E HA 0.267 4.617 4.350 -0.000 0.000 0.197 264 E C 0.707 177.194 176.600 -0.189 0.000 0.948 264 E CA 0.496 56.817 56.400 -0.131 0.000 0.895 264 E CB 0.831 30.474 29.700 -0.093 0.000 0.865 264 E HN 0.358 nan 8.360 nan 0.000 0.486 265 V N 1.018 120.651 119.914 -0.468 0.000 2.841 265 V HA 0.412 4.532 4.120 -0.000 0.000 0.310 265 V C -1.224 174.493 176.094 -0.629 0.000 1.090 265 V CA -0.781 61.328 62.300 -0.318 0.000 0.930 265 V CB 1.669 33.379 31.823 -0.188 0.000 1.014 265 V HN 0.020 nan 8.190 nan 0.000 0.425 266 F N 0.389 120.327 119.950 -0.021 0.000 2.599 266 F HA 0.525 5.052 4.527 -0.000 0.000 0.311 266 F C 0.396 176.187 175.800 -0.015 0.000 1.076 266 F CA -0.815 57.175 58.000 -0.018 0.000 0.937 266 F CB 1.675 40.672 39.000 -0.005 0.000 1.282 266 F HN 0.386 nan 8.300 nan 0.000 0.460 267 E N 1.969 122.269 120.200 0.165 0.000 2.373 267 E HA 0.234 4.584 4.350 -0.000 0.000 0.263 267 E C -2.309 174.361 176.600 0.115 0.000 1.073 267 E CA -1.640 54.816 56.400 0.095 0.000 0.894 267 E CB 0.443 30.179 29.700 0.061 0.000 1.008 267 E HN 0.186 nan 8.360 nan 0.000 0.420 268 P HA -0.042 nan 4.420 nan 0.000 0.269 268 P C -0.940 176.393 177.300 0.055 0.000 1.217 268 P CA 0.237 63.380 63.100 0.070 0.000 0.783 268 P CB 0.529 32.267 31.700 0.063 0.000 0.898 269 S N 1.011 116.732 115.700 0.034 0.000 2.565 269 S HA 0.352 4.822 4.470 -0.000 0.000 0.276 269 S C 0.220 174.831 174.600 0.019 0.000 1.326 269 S CA -0.407 57.805 58.200 0.018 0.000 1.045 269 S CB 0.239 63.437 63.200 -0.003 0.000 0.918 269 S HN 0.618 nan 8.310 nan 0.000 0.505 270 A N 4.748 127.577 122.820 0.015 0.000 2.498 270 A HA 0.085 4.405 4.320 -0.000 0.000 0.287 270 A C -1.175 176.415 177.584 0.009 0.000 1.000 270 A CA -0.651 51.392 52.037 0.011 0.000 1.036 270 A CB -1.394 17.606 19.000 0.001 0.000 0.842 270 A HN 0.643 nan 8.150 nan 0.000 0.474 283 R N 2.139 122.670 120.500 0.052 0.000 2.233 283 R HA 0.547 4.887 4.340 -0.000 0.000 0.334 283 R C -0.222 176.126 176.300 0.081 0.000 1.037 283 R CA -0.191 55.947 56.100 0.065 0.000 0.920 283 R CB -0.469 29.883 30.300 0.087 0.000 1.137 283 R HN 0.787 nan 8.270 nan 0.000 0.492 284 N N 3.960 122.694 118.700 0.056 0.000 2.499 284 N HA 0.280 5.020 4.740 -0.000 0.000 0.281 284 N C -2.189 173.355 175.510 0.057 0.000 1.098 284 N CA -1.624 51.457 53.050 0.052 0.000 0.979 284 N CB 1.953 40.464 38.487 0.040 0.000 1.121 284 N HN 0.465 nan 8.380 nan 0.000 0.466 285 P HA 0.026 nan 4.420 nan 0.000 0.247 285 P C 0.968 178.308 177.300 0.067 0.000 1.756 285 P CA -0.153 62.972 63.100 0.041 0.000 1.117 285 P CB 0.274 31.975 31.700 0.002 0.000 1.869 286 V N 1.462 121.432 119.914 0.093 0.000 2.809 286 V HA -0.001 4.119 4.120 -0.000 0.000 0.256 286 V C 2.019 178.258 176.094 0.241 0.000 1.080 286 V CA 2.000 64.400 62.300 0.168 0.000 1.102 286 V CB -1.442 30.446 31.823 0.108 0.000 0.705 286 V HN 0.312 nan 8.190 nan 0.000 0.475 287 G N -0.002 108.884 108.800 0.144 0.000 2.395 287 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.214 287 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.214 287 G C 1.732 176.657 174.900 0.041 0.000 1.177 287 G CA 0.857 46.025 45.100 0.113 0.000 0.794 287 G HN 0.834 nan 8.290 nan 0.000 0.532 288 A N 1.258 124.073 122.820 -0.007 0.000 1.978 288 A HA 0.225 4.545 4.320 -0.000 0.000 0.220 288 A C 2.765 180.332 177.584 -0.027 0.000 1.170 288 A CA 2.174 54.172 52.037 -0.064 0.000 0.636 288 A CB -0.692 18.248 19.000 -0.100 0.000 0.810 288 A HN 0.763 nan 8.150 nan 0.000 0.448 289 A N -0.508 122.330 122.820 0.030 0.000 1.908 289 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 289 A C 2.216 179.797 177.584 -0.005 0.000 1.181 289 A CA 1.886 53.950 52.037 0.045 0.000 0.627 289 A CB -0.897 18.193 19.000 0.150 0.000 0.818 289 A HN 0.416 nan 8.150 nan 0.000 0.445 290 V N 0.239 120.136 119.914 -0.028 0.000 2.358 290 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 290 V C 2.538 178.576 176.094 -0.093 0.000 1.047 290 V CA 1.843 64.082 62.300 -0.103 0.000 1.035 290 V CB -0.736 31.012 31.823 -0.125 0.000 0.658 290 V HN 0.570 nan 8.190 nan 0.000 0.452 291 L N -0.690 120.500 121.223 -0.056 0.000 2.056 291 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 291 L C 2.373 179.204 176.870 -0.065 0.000 1.078 291 L CA 1.654 56.467 54.840 -0.045 0.000 0.749 291 L CB -0.548 41.496 42.059 -0.025 0.000 0.901 291 L HN 0.275 nan 8.230 nan 0.000 0.433 292 I N -0.010 120.518 120.570 -0.070 0.000 2.353 292 I HA -0.147 4.023 4.170 -0.000 0.000 0.248 292 I C 2.668 178.724 176.117 -0.103 0.000 1.119 292 I CA 1.196 62.452 61.300 -0.073 0.000 1.417 292 I CB -0.825 37.138 38.000 -0.062 0.000 1.078 292 I HN 0.247 nan 8.210 nan 0.000 0.421 293 G N 0.863 109.582 108.800 -0.135 0.000 2.446 293 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 293 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 293 G C 1.886 176.648 174.900 -0.230 0.000 1.168 293 G CA 0.909 45.881 45.100 -0.213 0.000 0.771 293 G HN 0.478 nan 8.290 nan 0.000 0.551 294 A N 1.215 123.908 122.820 -0.211 0.000 1.877 294 A HA 0.254 4.574 4.320 -0.000 0.000 0.216 294 A C 2.772 180.277 177.584 -0.132 0.000 1.186 294 A CA 2.292 54.222 52.037 -0.180 0.000 0.620 294 A CB -0.826 18.092 19.000 -0.137 0.000 0.822 294 A HN 0.912 nan 8.150 nan 0.000 0.443 295 A N -1.452 121.306 122.820 -0.104 0.000 2.178 295 A HA 0.021 4.341 4.320 -0.000 0.000 0.218 295 A C 2.072 179.604 177.584 -0.087 0.000 1.157 295 A CA 2.014 54.002 52.037 -0.082 0.000 0.689 295 A CB -0.708 18.256 19.000 -0.060 0.000 0.787 295 A HN 0.440 nan 8.150 nan 0.000 0.465 296 T N -1.395 113.095 114.554 -0.105 0.000 3.033 296 T HA 0.051 4.401 4.350 -0.000 0.000 0.248 296 T C 2.062 176.698 174.700 -0.107 0.000 1.040 296 T CA 0.383 62.423 62.100 -0.100 0.000 1.133 296 T CB -0.013 68.793 68.868 -0.105 0.000 0.895 296 T HN 0.380 nan 8.240 nan 0.000 0.465 297 R N 0.830 121.249 120.500 -0.135 0.000 2.100 297 R HA 0.113 4.453 4.340 -0.000 0.000 0.220 297 R C 2.398 178.633 176.300 -0.109 0.000 1.091 297 R CA 0.690 56.709 56.100 -0.136 0.000 0.986 297 R CB -0.792 29.395 30.300 -0.188 0.000 0.888 297 R HN 0.261 nan 8.270 nan 0.000 0.444 298 V N 1.791 121.640 119.914 -0.108 0.000 2.407 298 V HA -0.140 3.980 4.120 -0.000 0.000 0.248 298 V C -0.907 175.148 176.094 -0.064 0.000 1.055 298 V CA 1.730 63.974 62.300 -0.093 0.000 1.049 298 V CB -1.257 30.505 31.823 -0.102 0.000 0.662 298 V HN 0.188 nan 8.190 nan 0.000 0.455 299 P HA -0.148 nan 4.420 nan 0.000 0.216 299 P C 1.755 179.044 177.300 -0.019 0.000 1.153 299 P CA 1.960 65.040 63.100 -0.034 0.000 0.858 299 P CB -0.316 31.358 31.700 -0.044 0.000 0.789 300 G N -0.347 108.432 108.800 -0.034 0.000 2.418 300 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 300 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 300 G C 1.489 176.380 174.900 -0.016 0.000 1.158 300 G CA 0.509 45.593 45.100 -0.026 0.000 0.771 300 G HN 0.221 nan 8.290 nan 0.000 0.545 301 L N -0.533 120.671 121.223 -0.033 0.000 2.083 301 L HA -0.008 4.332 4.340 -0.000 0.000 0.209 301 L C 2.768 179.629 176.870 -0.015 0.000 1.083 301 L CA 0.245 55.064 54.840 -0.035 0.000 0.752 301 L CB -0.344 41.678 42.059 -0.062 0.000 0.899 301 L HN 0.147 nan 8.230 nan 0.000 0.433 302 L N -0.182 121.043 121.223 0.003 0.000 2.056 302 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 302 L C 2.892 179.867 176.870 0.175 0.000 1.078 302 L CA 1.954 56.825 54.840 0.053 0.000 0.749 302 L CB -0.573 41.539 42.059 0.088 0.000 0.901 302 L HN 0.344 nan 8.230 nan 0.000 0.433 303 S N -2.767 113.032 115.700 0.165 0.000 2.442 303 S HA -0.180 4.290 4.470 -0.000 0.000 0.236 303 S C 1.918 176.611 174.600 0.154 0.000 1.007 303 S CA 1.500 59.822 58.200 0.204 0.000 0.965 303 S CB -0.843 62.402 63.200 0.075 0.000 0.773 303 S HN 0.432 nan 8.310 nan 0.000 0.504 304 T N 3.083 117.682 114.554 0.075 0.000 2.708 304 T HA 0.106 4.456 4.350 -0.000 0.000 0.266 304 T C 1.689 176.411 174.700 0.037 0.000 1.037 304 T CA 1.469 63.592 62.100 0.039 0.000 1.146 304 T CB -0.488 68.383 68.868 0.005 0.000 0.865 304 T HN 0.340 nan 8.240 nan 0.000 0.435 305 L N -0.441 120.785 121.223 0.004 0.000 2.046 305 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 305 L C 2.317 179.134 176.870 -0.088 0.000 1.077 305 L CA 1.454 56.255 54.840 -0.065 0.000 0.747 305 L CB -0.638 41.332 42.059 -0.150 0.000 0.896 305 L HN 0.250 nan 8.230 nan 0.000 0.432 306 F N 0.186 120.142 119.950 0.011 0.000 2.102 306 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 306 F C 2.690 178.496 175.800 0.011 0.000 1.105 306 F CA 1.225 59.231 58.000 0.010 0.000 1.239 306 F CB -0.544 38.454 39.000 -0.003 0.000 0.991 306 F HN 0.010 nan 8.300 nan 0.000 0.474 307 A N -0.097 122.838 122.820 0.191 0.000 1.986 307 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 307 A C 2.128 179.754 177.584 0.070 0.000 1.171 307 A CA 1.759 53.858 52.037 0.104 0.000 0.640 307 A CB -1.176 17.865 19.000 0.068 0.000 0.811 307 A HN 0.313 nan 8.150 nan 0.000 0.451 308 A N -1.391 121.466 122.820 0.060 0.000 2.278 308 A HA 0.388 4.708 4.320 -0.000 0.000 0.212 308 A C 1.813 179.435 177.584 0.065 0.000 1.213 308 A CA 0.451 52.520 52.037 0.053 0.000 0.840 308 A CB -0.500 18.528 19.000 0.048 0.000 0.866 308 A HN 0.524 nan 8.150 nan 0.000 0.489 309 M N 0.652 120.292 119.600 0.067 0.000 2.200 309 M HA -0.013 4.467 4.480 -0.000 0.000 0.265 309 M C -1.094 175.240 176.300 0.057 0.000 1.066 309 M CA 1.059 56.399 55.300 0.066 0.000 1.127 309 M CB -0.872 31.774 32.600 0.077 0.000 1.379 309 M HN 0.137 nan 8.290 nan 0.000 0.420 310 P HA 0.017 nan 4.420 nan 0.000 0.231 310 P C -1.170 176.138 177.300 0.014 0.000 1.756 310 P CA 0.306 63.421 63.100 0.025 0.000 0.990 310 P CB -0.669 31.041 31.700 0.017 0.000 1.973 311 Q N 1.355 121.170 119.800 0.025 0.000 2.293 311 Q HA 0.101 4.441 4.340 -0.000 0.000 0.263 311 Q C 0.061 176.053 176.000 -0.012 0.000 1.002 311 Q CA -0.222 55.595 55.803 0.024 0.000 0.910 311 Q CB 0.608 29.373 28.738 0.044 0.000 1.185 311 Q HN 0.384 nan 8.270 nan 0.000 0.401 312 E N 3.533 123.716 120.200 -0.029 0.000 2.384 312 E HA -0.001 4.349 4.350 -0.000 0.000 0.266 312 E C 0.144 176.729 176.600 -0.025 0.000 1.012 312 E CA -0.233 56.101 56.400 -0.109 0.000 0.901 312 E CB 0.280 29.916 29.700 -0.107 0.000 0.967 312 E HN 0.471 nan 8.360 nan 0.000 0.435 313 H N 2.244 121.317 119.070 0.006 0.000 1.452 313 H HA -0.253 4.303 4.556 0.000 0.000 0.090 313 H C 0.825 176.148 175.328 -0.009 0.000 0.964 313 H CA 1.795 57.843 56.048 -0.000 0.000 1.901 313 H CB -0.928 28.832 29.762 -0.003 0.000 2.257 313 H HN 0.694 nan 8.280 nan 0.000 0.961 314 E N 1.741 122.031 120.200 0.149 0.000 2.442 314 E HA 0.230 4.580 4.350 -0.000 0.000 0.195 314 E C 0.629 177.206 176.600 -0.038 0.000 1.030 314 E CA 0.474 56.901 56.400 0.044 0.000 0.869 314 E CB 0.501 30.208 29.700 0.013 0.000 0.857 314 E HN 0.246 nan 8.360 nan 0.000 0.505 315 R N -0.376 120.103 120.500 -0.035 0.000 2.808 315 R HA 0.194 4.534 4.340 -0.000 0.000 0.254 315 R C -1.572 174.729 176.300 0.002 0.000 1.145 315 R CA -0.135 55.890 56.100 -0.124 0.000 1.066 315 R CB 1.066 31.250 30.300 -0.192 0.000 1.268 315 R HN 0.065 nan 8.270 nan 0.000 0.447 316 S N 5.138 120.857 115.700 0.032 0.000 2.509 316 S HA 0.597 5.067 4.470 -0.000 0.000 0.297 316 S C -0.420 174.336 174.600 0.260 0.000 1.118 316 S CA -0.914 57.360 58.200 0.122 0.000 1.074 316 S CB 0.890 64.147 63.200 0.095 0.000 1.038 316 S HN 0.448 nan 8.310 nan 0.000 0.498 317 L N 3.047 124.388 121.223 0.197 0.000 2.309 317 L HA 0.888 5.228 4.340 -0.000 0.000 0.282 317 L C 1.066 177.964 176.870 0.047 0.000 1.036 317 L CA 0.383 55.342 54.840 0.199 0.000 0.806 317 L CB -0.296 41.814 42.059 0.084 0.000 1.220 317 L HN 1.051 nan 8.230 nan 0.000 0.429 318 G N 2.583 111.346 108.800 -0.061 0.000 3.757 318 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.215 318 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.215 318 G C 0.897 175.773 174.900 -0.040 0.000 1.411 318 G CA 0.254 45.259 45.100 -0.160 0.000 0.896 318 G HN 0.601 nan 8.290 nan 0.000 0.581 319 L N -0.875 120.371 121.223 0.038 0.000 2.046 319 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 319 L C 2.607 179.532 176.870 0.092 0.000 1.077 319 L CA 2.456 57.327 54.840 0.051 0.000 0.747 319 L CB -0.526 41.576 42.059 0.071 0.000 0.896 319 L HN 0.578 nan 8.230 nan 0.000 0.432 320 W N 1.212 122.477 121.300 -0.058 0.000 2.388 320 W HA -0.161 4.499 4.660 -0.000 0.000 0.294 320 W C 2.514 178.731 176.519 -0.504 0.000 1.212 320 W CA 1.441 58.715 57.345 -0.120 0.000 1.271 320 W CB -0.581 28.861 29.460 -0.029 0.000 1.126 320 W HN 0.199 nan 8.180 nan 0.000 0.535 321 H N -0.022 118.500 119.070 -0.914 0.000 2.421 321 H HA -0.008 4.548 4.556 -0.000 0.000 0.298 321 H C 2.334 177.027 175.328 -1.057 0.000 1.087 321 H CA 2.246 57.232 56.048 -1.770 0.000 1.330 321 H CB -0.998 28.058 29.762 -1.176 0.000 1.388 321 H HN 0.159 nan 8.280 nan 0.000 0.526 322 A N 0.886 123.473 122.820 -0.388 0.000 2.070 322 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 322 A C 1.965 179.472 177.584 -0.127 0.000 1.159 322 A CA 1.557 53.475 52.037 -0.198 0.000 0.656 322 A CB -0.221 18.721 19.000 -0.097 0.000 0.800 322 A HN 0.563 nan 8.150 nan 0.000 0.453 323 E N -1.053 119.073 120.200 -0.123 0.000 2.112 323 E HA -0.178 4.172 4.350 -0.000 0.000 0.190 323 E C 1.615 178.312 176.600 0.162 0.000 0.979 323 E CA 0.730 57.167 56.400 0.062 0.000 0.814 323 E CB -0.273 29.553 29.700 0.210 0.000 0.762 323 E HN 0.793 nan 8.360 nan 0.000 0.460 324 W N 1.973 123.214 121.300 -0.099 0.000 2.280 324 W HA -0.238 4.422 4.660 -0.000 0.000 0.332 324 W C 2.011 178.489 176.519 -0.069 0.000 1.300 324 W CA 1.132 58.409 57.345 -0.113 0.000 1.274 324 W CB -0.902 28.435 29.460 -0.205 0.000 1.141 324 W HN 0.132 nan 8.180 nan 0.000 0.474 325 E N -1.741 118.560 120.200 0.169 0.000 2.415 325 E HA 0.003 4.353 4.350 -0.000 0.000 0.197 325 E C 1.984 178.585 176.600 0.002 0.000 1.007 325 E CA 0.959 57.401 56.400 0.070 0.000 0.890 325 E CB -0.613 29.124 29.700 0.063 0.000 0.891 325 E HN 0.190 nan 8.360 nan 0.000 0.496 326 T N 2.397 116.954 114.554 0.005 0.000 2.674 326 T HA -0.078 4.272 4.350 -0.000 0.000 0.265 326 T C 2.023 176.682 174.700 -0.069 0.000 1.039 326 T CA 0.683 62.764 62.100 -0.031 0.000 1.150 326 T CB -0.254 68.602 68.868 -0.019 0.000 0.864 326 T HN 0.090 nan 8.240 nan 0.000 0.427 327 L N 0.975 122.170 121.223 -0.047 0.000 2.012 327 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 327 L C -0.706 176.007 176.870 -0.261 0.000 1.073 327 L CA 1.677 56.467 54.840 -0.084 0.000 0.748 327 L CB -0.987 41.087 42.059 0.024 0.000 0.891 327 L HN 0.217 nan 8.230 nan 0.000 0.431 328 P HA -0.134 nan 4.420 nan 0.000 0.217 328 P C 0.827 177.841 177.300 -0.476 0.000 1.150 328 P CA 1.292 63.900 63.100 -0.820 0.000 0.832 328 P CB 0.017 31.393 31.700 -0.540 0.000 0.787 329 D N -0.846 119.414 120.400 -0.234 0.000 2.123 329 D HA -0.129 4.511 4.640 -0.000 0.000 0.196 329 D C 1.918 178.128 176.300 -0.151 0.000 0.992 329 D CA 0.981 54.895 54.000 -0.143 0.000 0.833 329 D CB -0.723 40.023 40.800 -0.090 0.000 0.954 329 D HN 0.158 nan 8.370 nan 0.000 0.455 330 I N 0.223 120.691 120.570 -0.170 0.000 2.163 330 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 330 I C 2.416 178.435 176.117 -0.163 0.000 1.085 330 I CA 0.742 61.945 61.300 -0.161 0.000 1.347 330 I CB -0.272 37.626 38.000 -0.170 0.000 1.044 330 I HN 0.102 nan 8.210 nan 0.000 0.408 331 C N 0.114 119.294 119.300 -0.200 0.000 2.413 331 C HA -0.192 4.268 4.460 -0.000 0.000 0.276 331 C C 3.156 178.141 174.990 -0.008 0.000 1.248 331 C CA 0.578 59.539 59.018 -0.094 0.000 1.742 331 C CB -1.115 26.589 27.740 -0.059 0.000 2.017 331 C HN 0.637 nan 8.230 nan 0.000 0.481 332 C N -0.421 118.855 119.300 -0.039 0.000 2.453 332 C HA -0.074 4.386 4.460 -0.000 0.000 0.277 332 C C 2.545 177.549 174.990 0.023 0.000 1.262 332 C CA 0.671 59.716 59.018 0.046 0.000 1.718 332 C CB -1.449 26.320 27.740 0.049 0.000 2.031 332 C HN 0.540 nan 8.230 nan 0.000 0.480 333 L N 0.770 121.972 121.223 -0.035 0.000 2.013 333 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 333 L C 2.526 179.365 176.870 -0.051 0.000 1.073 333 L CA 1.833 56.634 54.840 -0.065 0.000 0.753 333 L CB -1.111 40.878 42.059 -0.117 0.000 0.890 333 L HN 0.191 nan 8.230 nan 0.000 0.432 334 V N -0.792 119.090 119.914 -0.053 0.000 2.453 334 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 334 V C 2.615 178.711 176.094 0.003 0.000 1.048 334 V CA 1.427 63.700 62.300 -0.044 0.000 1.049 334 V CB -0.756 31.020 31.823 -0.078 0.000 0.672 334 V HN 0.671 nan 8.190 nan 0.000 0.457 335 S N 1.263 116.983 115.700 0.034 0.000 2.382 335 S HA -0.128 4.342 4.470 -0.000 0.000 0.228 335 S C 2.090 176.730 174.600 0.066 0.000 1.027 335 S CA 1.576 59.817 58.200 0.067 0.000 0.991 335 S CB -0.925 62.337 63.200 0.103 0.000 0.823 335 S HN 0.530 nan 8.310 nan 0.000 0.469 336 G N 1.098 109.935 108.800 0.062 0.000 2.422 336 G HA2 0.170 4.130 3.960 -0.000 0.000 0.218 336 G HA3 0.170 4.130 3.960 -0.000 0.000 0.218 336 G C 1.629 176.559 174.900 0.049 0.000 1.140 336 G CA 0.687 45.829 45.100 0.071 0.000 0.775 336 G HN 0.790 nan 8.290 nan 0.000 0.545 337 A N 0.416 123.250 122.820 0.024 0.000 1.929 337 A HA 0.222 4.542 4.320 -0.000 0.000 0.216 337 A C 2.388 180.004 177.584 0.053 0.000 1.176 337 A CA 0.871 52.921 52.037 0.022 0.000 0.628 337 A CB -0.329 18.668 19.000 -0.005 0.000 0.816 337 A HN 0.330 nan 8.150 nan 0.000 0.444 338 L N -0.911 120.343 121.223 0.052 0.000 2.017 338 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 338 L C 2.815 179.729 176.870 0.075 0.000 1.073 338 L CA 1.739 56.618 54.840 0.064 0.000 0.745 338 L CB -0.430 41.663 42.059 0.056 0.000 0.894 338 L HN 0.460 nan 8.230 nan 0.000 0.432 339 R N -0.173 120.371 120.500 0.073 0.000 2.083 339 R HA -0.258 4.082 4.340 -0.000 0.000 0.237 339 R C 2.331 178.683 176.300 0.086 0.000 1.137 339 R CA 1.965 58.112 56.100 0.078 0.000 0.951 339 R CB -0.136 30.212 30.300 0.080 0.000 0.851 339 R HN 0.233 nan 8.270 nan 0.000 0.434 340 Q N -0.101 119.750 119.800 0.086 0.000 2.167 340 Q HA 0.004 4.344 4.340 -0.000 0.000 0.202 340 Q C 1.784 177.848 176.000 0.106 0.000 0.970 340 Q CA 1.847 57.705 55.803 0.091 0.000 0.855 340 Q CB -0.141 28.642 28.738 0.074 0.000 0.911 340 Q HN 0.471 nan 8.270 nan 0.000 0.438 341 A N -0.278 122.619 122.820 0.128 0.000 1.969 341 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 341 A C 1.988 179.695 177.584 0.204 0.000 1.169 341 A CA 1.594 53.762 52.037 0.218 0.000 0.635 341 A CB -0.524 18.619 19.000 0.239 0.000 0.810 341 A HN 0.395 nan 8.150 nan 0.000 0.445 342 Q N 0.027 119.905 119.800 0.129 0.000 2.046 342 Q HA -0.095 4.245 4.340 -0.000 0.000 0.200 342 Q C 1.862 177.925 176.000 0.105 0.000 0.975 342 Q CA 2.167 58.030 55.803 0.101 0.000 0.836 342 Q CB -0.683 28.102 28.738 0.078 0.000 0.896 342 Q HN 0.301 nan 8.270 nan 0.000 0.428 343 V N 1.369 121.344 119.914 0.102 0.000 2.255 343 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 343 V C 2.347 178.502 176.094 0.102 0.000 1.051 343 V CA 2.107 64.462 62.300 0.092 0.000 1.018 343 V CB -0.840 31.035 31.823 0.087 0.000 0.641 343 V HN 0.688 nan 8.190 nan 0.000 0.445 344 I N -0.196 120.444 120.570 0.116 0.000 2.439 344 I HA -0.084 4.086 4.170 -0.000 0.000 0.251 344 I C 2.316 178.539 176.117 0.177 0.000 1.139 344 I CA 1.739 63.107 61.300 0.114 0.000 1.438 344 I CB -0.451 37.576 38.000 0.044 0.000 1.085 344 I HN 0.189 nan 8.210 nan 0.000 0.427 345 A N 2.109 125.072 122.820 0.239 0.000 1.902 345 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 345 A C 2.329 179.992 177.584 0.131 0.000 1.181 345 A CA 1.835 54.006 52.037 0.223 0.000 0.623 345 A CB -0.787 18.294 19.000 0.134 0.000 0.818 345 A HN 0.788 nan 8.150 nan 0.000 0.443 346 E N -1.089 119.173 120.200 0.104 0.000 2.478 346 E HA 0.157 4.507 4.350 -0.000 0.000 0.194 346 E C 1.075 177.726 176.600 0.085 0.000 1.045 346 E CA 0.689 57.139 56.400 0.082 0.000 0.868 346 E CB -0.076 29.663 29.700 0.066 0.000 0.885 346 E HN 0.407 nan 8.360 nan 0.000 0.505 347 G N 1.562 110.418 108.800 0.094 0.000 3.979 347 G HA2 0.241 4.201 3.960 -0.000 0.000 0.287 347 G HA3 0.241 4.201 3.960 -0.000 0.000 0.287 347 G C 0.076 175.033 174.900 0.095 0.000 1.011 347 G CA -0.468 44.684 45.100 0.086 0.000 0.818 347 G HN 0.092 nan 8.290 nan 0.000 0.470 348 M N 0.459 120.124 119.600 0.108 0.000 2.238 348 M HA 0.499 4.979 4.480 -0.000 0.000 0.347 348 M C -0.297 176.074 176.300 0.117 0.000 1.173 348 M CA -0.127 55.238 55.300 0.108 0.000 1.147 348 M CB 0.215 32.871 32.600 0.093 0.000 1.547 348 M HN -0.072 nan 8.290 nan 0.000 0.455 349 E N 1.672 121.964 120.200 0.155 0.000 2.200 349 E HA 0.528 4.878 4.350 -0.000 0.000 0.283 349 E C -1.056 175.667 176.600 0.206 0.000 1.015 349 E CA -0.722 55.781 56.400 0.171 0.000 0.819 349 E CB 1.448 31.243 29.700 0.158 0.000 1.081 349 E HN 0.550 nan 8.360 nan 0.000 0.397 350 V N 2.677 122.679 119.914 0.145 0.000 2.483 350 V HA 0.162 4.282 4.120 -0.000 0.000 0.295 350 V C -0.233 175.949 176.094 0.146 0.000 1.035 350 V CA -0.652 61.709 62.300 0.102 0.000 0.896 350 V CB 1.779 33.590 31.823 -0.020 0.000 0.986 350 V HN 0.662 nan 8.190 nan 0.000 0.447 351 D N 3.018 123.509 120.400 0.152 0.000 2.483 351 D HA 0.455 5.095 4.640 -0.000 0.000 0.281 351 D C 0.945 177.304 176.300 0.098 0.000 1.174 351 D CA -0.014 54.075 54.000 0.148 0.000 0.938 351 D CB 1.382 42.318 40.800 0.226 0.000 1.002 351 D HN 0.565 nan 8.370 nan 0.000 0.501 352 A N 2.390 125.262 122.820 0.088 0.000 1.948 352 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 352 A C 2.168 179.789 177.584 0.061 0.000 1.177 352 A CA 1.948 54.028 52.037 0.073 0.000 0.636 352 A CB -0.340 18.711 19.000 0.085 0.000 0.815 352 A HN 0.530 nan 8.150 nan 0.000 0.449 353 A N -0.282 122.576 122.820 0.062 0.000 1.877 353 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 353 A C 2.186 179.805 177.584 0.058 0.000 1.186 353 A CA 2.169 54.238 52.037 0.054 0.000 0.620 353 A CB -0.441 18.590 19.000 0.051 0.000 0.822 353 A HN 0.455 nan 8.150 nan 0.000 0.443 354 R N -0.210 120.331 120.500 0.070 0.000 2.096 354 R HA 0.003 4.343 4.340 -0.000 0.000 0.235 354 R C 2.009 178.345 176.300 0.060 0.000 1.127 354 R CA 2.004 58.148 56.100 0.073 0.000 0.968 354 R CB -0.693 29.668 30.300 0.101 0.000 0.861 354 R HN 0.600 nan 8.270 nan 0.000 0.440 355 M N -0.176 119.453 119.600 0.049 0.000 2.117 355 M HA -0.155 4.325 4.480 -0.000 0.000 0.262 355 M C 2.190 178.512 176.300 0.036 0.000 1.065 355 M CA 1.576 56.895 55.300 0.030 0.000 1.114 355 M CB -0.280 32.332 32.600 0.021 0.000 1.361 355 M HN 0.023 nan 8.290 nan 0.000 0.408 356 R N 0.005 120.531 120.500 0.043 0.000 2.073 356 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 356 R C 2.197 178.532 176.300 0.059 0.000 1.134 356 R CA 1.514 57.642 56.100 0.047 0.000 0.952 356 R CB -0.723 29.603 30.300 0.044 0.000 0.850 356 R HN 0.411 nan 8.270 nan 0.000 0.433 357 R N 0.587 121.123 120.500 0.060 0.000 2.083 357 R HA -0.098 4.242 4.340 -0.000 0.000 0.237 357 R C 1.873 178.221 176.300 0.080 0.000 1.137 357 R CA 1.674 57.815 56.100 0.067 0.000 0.951 357 R CB -0.148 30.189 30.300 0.061 0.000 0.851 357 R HN 0.224 nan 8.270 nan 0.000 0.434 358 N N 0.670 119.420 118.700 0.084 0.000 2.289 358 N HA -0.164 4.576 4.740 -0.000 0.000 0.184 358 N C 1.787 177.387 175.510 0.151 0.000 1.016 358 N CA 0.837 53.961 53.050 0.124 0.000 0.872 358 N CB -0.166 38.392 38.487 0.120 0.000 0.973 358 N HN 0.246 nan 8.380 nan 0.000 0.433 359 L N 1.053 122.329 121.223 0.089 0.000 2.042 359 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 359 L C 0.476 177.414 176.870 0.114 0.000 1.076 359 L CA 1.265 56.151 54.840 0.076 0.000 0.749 359 L CB -0.184 41.907 42.059 0.055 0.000 0.893 359 L HN 0.239 nan 8.230 nan 0.000 0.432 360 D N -0.525 119.942 120.400 0.112 0.000 3.179 360 D HA 0.019 4.659 4.640 -0.000 0.000 0.267 360 D C 1.270 177.602 176.300 0.053 0.000 1.348 360 D CA -0.157 53.897 54.000 0.090 0.000 0.897 360 D CB 0.882 41.798 40.800 0.194 0.000 1.062 360 D HN 0.154 nan 8.370 nan 0.000 0.494 361 L N 1.317 122.585 121.223 0.075 0.000 2.375 361 L HA 0.008 4.348 4.340 -0.000 0.000 0.215 361 L C 1.911 178.760 176.870 -0.035 0.000 1.108 361 L CA 1.365 56.220 54.840 0.025 0.000 0.830 361 L CB -0.251 41.827 42.059 0.031 0.000 0.959 361 L HN 0.178 nan 8.230 nan 0.000 0.457 362 T N -3.942 110.600 114.554 -0.021 0.000 3.122 362 T HA 0.118 4.468 4.350 -0.000 0.000 0.250 362 T C 0.594 175.218 174.700 -0.128 0.000 1.067 362 T CA -0.164 61.900 62.100 -0.061 0.000 0.966 362 T CB -0.231 68.631 68.868 -0.010 0.000 1.002 362 T HN 0.389 nan 8.240 nan 0.000 0.542 363 Q N 0.484 120.168 119.800 -0.193 0.000 2.463 363 Q HA -0.209 4.131 4.340 -0.000 0.000 0.299 363 Q C 1.206 176.772 176.000 -0.723 0.000 1.353 363 Q CA 0.438 55.939 55.803 -0.502 0.000 0.828 363 Q CB -2.068 26.464 28.738 -0.344 0.000 1.157 363 Q HN 0.976 nan 8.270 nan 0.000 0.436 364 G N -0.865 107.687 108.800 -0.415 0.000 2.212 364 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.266 364 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.266 364 G C 0.640 175.484 174.900 -0.093 0.000 0.978 364 G CA 0.476 45.471 45.100 -0.175 0.000 0.632 364 G HN 0.429 nan 8.290 nan 0.000 0.537 365 L N -0.064 121.095 121.223 -0.107 0.000 2.265 365 L HA -0.001 4.339 4.340 -0.000 0.000 0.215 365 L C 2.723 179.578 176.870 -0.024 0.000 1.117 365 L CA 1.278 56.081 54.840 -0.062 0.000 0.782 365 L CB -0.372 41.650 42.059 -0.061 0.000 0.914 365 L HN 0.257 nan 8.230 nan 0.000 0.441 366 V N -0.345 119.569 119.914 -0.000 0.000 3.217 366 V HA -0.125 3.995 4.120 -0.000 0.000 0.264 366 V C 1.599 177.712 176.094 0.032 0.000 1.135 366 V CA 0.957 63.280 62.300 0.038 0.000 1.142 366 V CB 0.242 32.111 31.823 0.076 0.000 0.754 366 V HN 0.278 nan 8.190 nan 0.000 0.484 367 L N -0.466 120.750 121.223 -0.011 0.000 2.808 367 L HA 0.472 4.812 4.340 -0.000 0.000 0.246 367 L C 2.164 178.954 176.870 -0.133 0.000 1.153 367 L CA 1.042 55.834 54.840 -0.081 0.000 0.956 367 L CB -0.356 41.670 42.059 -0.055 0.000 1.270 367 L HN 0.226 nan 8.230 nan 0.000 0.528 368 A N -0.253 122.523 122.820 -0.073 0.000 1.917 368 A HA -0.292 4.028 4.320 -0.000 0.000 0.219 368 A C 2.237 179.769 177.584 -0.085 0.000 1.182 368 A CA 2.175 54.172 52.037 -0.068 0.000 0.633 368 A CB -0.421 18.554 19.000 -0.042 0.000 0.819 368 A HN 0.533 nan 8.150 nan 0.000 0.448 369 E N -0.172 119.985 120.200 -0.072 0.000 2.070 369 E HA -0.183 4.167 4.350 -0.000 0.000 0.197 369 E C 2.106 178.609 176.600 -0.162 0.000 1.004 369 E CA 1.290 57.665 56.400 -0.043 0.000 0.805 369 E CB -0.320 29.425 29.700 0.076 0.000 0.744 369 E HN 0.550 nan 8.360 nan 0.000 0.451 370 A N 0.398 122.906 122.820 -0.519 0.000 1.978 370 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 370 A C 2.344 179.757 177.584 -0.286 0.000 1.170 370 A CA 1.473 53.056 52.037 -0.757 0.000 0.636 370 A CB -0.409 17.815 19.000 -1.293 0.000 0.810 370 A HN 0.254 nan 8.150 nan 0.000 0.448 371 V N -1.001 118.794 119.914 -0.198 0.000 2.446 371 V HA -0.131 3.989 4.120 -0.000 0.000 0.244 371 V C 2.725 178.786 176.094 -0.055 0.000 1.039 371 V CA 1.941 64.180 62.300 -0.101 0.000 1.045 371 V CB -0.385 31.392 31.823 -0.078 0.000 0.681 371 V HN 0.649 nan 8.190 nan 0.000 0.459 372 S N 0.607 116.281 115.700 -0.044 0.000 2.387 372 S HA -0.206 4.264 4.470 -0.000 0.000 0.230 372 S C 1.995 176.604 174.600 0.015 0.000 1.035 372 S CA 2.181 60.382 58.200 0.001 0.000 1.014 372 S CB -0.438 62.778 63.200 0.026 0.000 0.836 372 S HN 0.659 nan 8.310 nan 0.000 0.466 373 I N -0.984 119.593 120.570 0.011 0.000 2.286 373 I HA -0.018 4.152 4.170 -0.000 0.000 0.245 373 I C 2.090 178.218 176.117 0.018 0.000 1.104 373 I CA 1.113 62.431 61.300 0.029 0.000 1.397 373 I CB -0.867 37.166 38.000 0.056 0.000 1.072 373 I HN 0.119 nan 8.210 nan 0.000 0.417 374 V N 1.994 121.909 119.914 0.002 0.000 2.261 374 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 374 V C 2.626 178.720 176.094 0.001 0.000 1.047 374 V CA 1.876 64.174 62.300 -0.002 0.000 1.015 374 V CB -0.614 31.199 31.823 -0.017 0.000 0.642 374 V HN 0.446 nan 8.190 nan 0.000 0.446 375 L N -0.032 121.190 121.223 -0.001 0.000 2.549 375 L HA -0.082 4.258 4.340 -0.000 0.000 0.229 375 L C 2.516 179.396 176.870 0.017 0.000 1.158 375 L CA 0.824 55.667 54.840 0.005 0.000 0.842 375 L CB -0.663 41.398 42.059 0.002 0.000 0.952 375 L HN 0.384 nan 8.230 nan 0.000 0.452 376 A N 0.563 123.395 122.820 0.021 0.000 1.898 376 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 376 A C 2.273 179.869 177.584 0.021 0.000 1.181 376 A CA 1.474 53.527 52.037 0.028 0.000 0.620 376 A CB -0.240 18.778 19.000 0.029 0.000 0.819 376 A HN 0.606 nan 8.150 nan 0.000 0.442 377 Q N -1.775 118.034 119.800 0.016 0.000 2.165 377 Q HA 0.026 4.366 4.340 -0.000 0.000 0.197 377 Q C 1.979 177.985 176.000 0.010 0.000 0.952 377 Q CA 0.335 56.146 55.803 0.012 0.000 0.848 377 Q CB -0.291 28.453 28.738 0.010 0.000 0.931 377 Q HN 0.330 nan 8.270 nan 0.000 0.470 378 R N 0.588 121.093 120.500 0.008 0.000 2.105 378 R HA 0.051 4.391 4.340 -0.000 0.000 0.239 378 R C 1.250 177.556 176.300 0.009 0.000 1.135 378 R CA 0.974 57.077 56.100 0.006 0.000 0.967 378 R CB -0.297 30.005 30.300 0.002 0.000 0.861 378 R HN 0.328 nan 8.270 nan 0.000 0.442 379 L N -2.897 118.334 121.223 0.014 0.000 2.539 379 L HA 0.493 4.833 4.340 -0.000 0.000 0.251 379 L C 0.609 177.492 176.870 0.022 0.000 1.382 379 L CA -0.923 53.927 54.840 0.018 0.000 1.448 379 L CB 0.384 42.457 42.059 0.023 0.000 1.824 379 L HN -0.048 nan 8.230 nan 0.000 0.544 380 G N -0.568 108.249 108.800 0.028 0.000 2.338 380 G HA2 0.337 4.297 3.960 -0.000 0.000 0.298 380 G HA3 0.337 4.297 3.960 -0.000 0.000 0.298 380 G C 0.686 175.610 174.900 0.040 0.000 1.140 380 G CA -0.409 44.708 45.100 0.029 0.000 0.860 380 G HN 0.678 nan 8.290 nan 0.000 0.470 381 R N 1.233 121.752 120.500 0.032 0.000 2.170 381 R HA -0.139 4.200 4.340 -0.000 0.000 0.242 381 R C 1.262 177.596 176.300 0.056 0.000 1.145 381 R CA 1.735 57.857 56.100 0.037 0.000 0.984 381 R CB -0.127 30.182 30.300 0.015 0.000 0.869 381 R HN 0.513 nan 8.270 nan 0.000 0.455 382 D N 0.786 121.216 120.400 0.049 0.000 2.137 382 D HA -0.128 4.512 4.640 -0.000 0.000 0.202 382 D C 1.965 178.332 176.300 0.112 0.000 0.970 382 D CA 0.767 54.806 54.000 0.064 0.000 0.837 382 D CB 0.026 40.845 40.800 0.031 0.000 0.981 382 D HN 0.328 nan 8.370 nan 0.000 0.475 383 R N 0.246 120.800 120.500 0.088 0.000 2.075 383 R HA 0.023 4.362 4.340 -0.000 0.000 0.226 383 R C 2.254 178.632 176.300 0.130 0.000 1.114 383 R CA 1.103 57.265 56.100 0.104 0.000 0.972 383 R CB -0.144 30.195 30.300 0.065 0.000 0.869 383 R HN 0.063 nan 8.270 nan 0.000 0.437 384 A N 0.340 123.220 122.820 0.100 0.000 1.933 384 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 384 A C 1.905 179.545 177.584 0.094 0.000 1.175 384 A CA 1.853 53.936 52.037 0.077 0.000 0.628 384 A CB -0.891 18.145 19.000 0.059 0.000 0.814 384 A HN 0.597 nan 8.150 nan 0.000 0.444 385 H N -0.800 118.293 119.070 0.040 0.000 2.289 385 H HA -0.256 4.300 4.556 -0.000 0.000 0.296 385 H C 1.989 177.342 175.328 0.043 0.000 1.091 385 H CA 2.582 58.651 56.048 0.035 0.000 1.274 385 H CB -0.530 29.257 29.762 0.043 0.000 1.364 385 H HN 0.726 nan 8.280 nan 0.000 0.490 386 H N -0.505 118.550 119.070 -0.025 0.000 2.267 386 H HA -0.131 4.424 4.556 -0.000 0.000 0.297 386 H C 2.265 177.538 175.328 -0.090 0.000 1.080 386 H CA 1.959 57.956 56.048 -0.085 0.000 1.278 386 H CB -0.748 29.012 29.762 -0.004 0.000 1.365 386 H HN 0.375 nan 8.280 nan 0.000 0.489 387 L N -0.303 120.829 121.223 -0.151 0.000 2.189 387 L HA -0.108 4.232 4.340 -0.000 0.000 0.214 387 L C 2.177 178.936 176.870 -0.185 0.000 1.097 387 L CA 1.389 56.119 54.840 -0.184 0.000 0.764 387 L CB -0.732 41.316 42.059 -0.019 0.000 0.900 387 L HN 0.461 nan 8.230 nan 0.000 0.436 388 L N -0.895 120.233 121.223 -0.160 0.000 2.127 388 L HA -0.066 4.274 4.340 -0.000 0.000 0.203 388 L C 2.354 179.118 176.870 -0.176 0.000 1.080 388 L CA 1.460 56.219 54.840 -0.135 0.000 0.768 388 L CB -0.533 41.471 42.059 -0.091 0.000 0.924 388 L HN 0.310 nan 8.230 nan 0.000 0.444 389 E N -0.891 119.156 120.200 -0.255 0.000 2.153 389 E HA -0.299 4.051 4.350 -0.000 0.000 0.194 389 E C 1.987 178.464 176.600 -0.206 0.000 0.988 389 E CA 1.194 57.453 56.400 -0.236 0.000 0.811 389 E CB -0.085 29.438 29.700 -0.295 0.000 0.746 389 E HN 0.610 nan 8.360 nan 0.000 0.466 390 Q N 0.233 119.870 119.800 -0.273 0.000 2.079 390 Q HA -0.164 4.176 4.340 -0.000 0.000 0.200 390 Q C 2.135 178.049 176.000 -0.143 0.000 0.974 390 Q CA 1.436 57.098 55.803 -0.234 0.000 0.840 390 Q CB -0.053 28.482 28.738 -0.338 0.000 0.898 390 Q HN 0.302 nan 8.270 nan 0.000 0.430 391 C N -0.312 118.910 119.300 -0.129 0.000 2.435 391 C HA -0.085 4.375 4.460 -0.000 0.000 0.279 391 C C 2.813 177.761 174.990 -0.070 0.000 1.321 391 C CA 0.254 59.222 59.018 -0.083 0.000 1.752 391 C CB -0.940 26.760 27.740 -0.068 0.000 1.959 391 C HN 0.710 nan 8.230 nan 0.000 0.500 392 C N -0.521 118.729 119.300 -0.083 0.000 2.476 392 C HA -0.069 4.391 4.460 -0.000 0.000 0.278 392 C C 3.340 178.291 174.990 -0.066 0.000 1.274 392 C CA 1.618 60.593 59.018 -0.071 0.000 1.713 392 C CB -1.538 26.157 27.740 -0.076 0.000 2.039 392 C HN 0.732 nan 8.230 nan 0.000 0.484 393 Q N 0.557 120.313 119.800 -0.074 0.000 2.197 393 Q HA -0.230 4.110 4.340 -0.000 0.000 0.207 393 Q C 2.165 178.135 176.000 -0.050 0.000 0.984 393 Q CA 2.916 58.682 55.803 -0.062 0.000 0.869 393 Q CB -0.977 27.720 28.738 -0.068 0.000 0.906 393 Q HN 0.831 nan 8.270 nan 0.000 0.426 394 R N -0.212 120.258 120.500 -0.051 0.000 2.066 394 R HA 0.519 4.859 4.340 -0.000 0.000 0.224 394 R C 2.756 179.037 176.300 -0.031 0.000 1.122 394 R CA 1.726 57.803 56.100 -0.038 0.000 0.974 394 R CB -1.254 29.023 30.300 -0.038 0.000 0.871 394 R HN 1.019 nan 8.270 nan 0.000 0.435 395 A N 0.561 123.361 122.820 -0.034 0.000 2.032 395 A HA 0.006 4.326 4.320 -0.000 0.000 0.221 395 A C 2.428 179.991 177.584 -0.035 0.000 1.165 395 A CA 1.815 53.835 52.037 -0.029 0.000 0.645 395 A CB -0.418 18.560 19.000 -0.037 0.000 0.807 395 A HN 0.342 nan 8.150 nan 0.000 0.453 396 V N -0.811 119.080 119.914 -0.039 0.000 2.300 396 V HA -0.045 4.075 4.120 -0.000 0.000 0.241 396 V C 2.933 179.010 176.094 -0.029 0.000 1.034 396 V CA 1.385 63.662 62.300 -0.038 0.000 1.021 396 V CB -1.307 30.491 31.823 -0.041 0.000 0.662 396 V HN 0.603 nan 8.190 nan 0.000 0.458 397 A N 1.501 124.305 122.820 -0.027 0.000 1.849 397 A HA -0.295 4.025 4.320 -0.000 0.000 0.216 397 A C 1.923 179.497 177.584 -0.017 0.000 1.225 397 A CA 2.208 54.232 52.037 -0.021 0.000 0.653 397 A CB -0.957 18.030 19.000 -0.021 0.000 0.844 397 A HN 0.776 nan 8.150 nan 0.000 0.453 398 E N 1.592 121.783 120.200 -0.015 0.000 2.405 398 E HA 0.024 4.374 4.350 -0.000 0.000 0.194 398 E C -0.206 176.389 176.600 -0.008 0.000 1.149 398 E CA 0.315 56.709 56.400 -0.010 0.000 0.933 398 E CB -1.015 28.681 29.700 -0.007 0.000 1.028 398 E HN 0.733 nan 8.360 nan 0.000 0.487 399 Q N 1.178 120.971 119.800 -0.013 0.000 2.740 399 Q HA -0.289 4.051 4.340 -0.000 0.000 0.132 399 Q C -0.708 175.290 176.000 -0.002 0.000 1.427 399 Q CA 1.096 56.892 55.803 -0.013 0.000 0.563 399 Q CB -1.041 27.689 28.738 -0.014 0.000 0.722 399 Q HN 0.656 nan 8.270 nan 0.000 0.328 400 R N 0.019 120.520 120.500 0.001 0.000 2.687 400 R HA 0.374 4.714 4.340 -0.000 0.000 0.265 400 R C -0.961 175.366 176.300 0.046 0.000 1.048 400 R CA -1.134 54.983 56.100 0.030 0.000 0.884 400 R CB 0.503 30.823 30.300 0.034 0.000 1.258 400 R HN 0.491 nan 8.270 nan 0.000 0.469 401 H N 1.544 120.610 119.070 -0.006 0.000 3.119 401 H HA -0.045 4.511 4.556 -0.000 0.000 0.334 401 H C 0.555 175.876 175.328 -0.011 0.000 1.042 401 H CA 1.050 57.095 56.048 -0.005 0.000 1.354 401 H CB 0.974 30.735 29.762 -0.001 0.000 1.285 401 H HN 0.650 nan 8.280 nan 0.000 0.601 402 L N 3.685 124.985 121.223 0.128 0.000 2.217 402 L HA -0.158 4.182 4.340 -0.000 0.000 0.211 402 L C 2.591 179.574 176.870 0.188 0.000 1.107 402 L CA 0.981 55.889 54.840 0.113 0.000 0.783 402 L CB -0.132 41.939 42.059 0.020 0.000 0.919 402 L HN 0.541 nan 8.230 nan 0.000 0.442 403 R N 0.591 121.313 120.500 0.370 0.000 2.083 403 R HA -0.185 4.155 4.340 -0.000 0.000 0.237 403 R C 2.085 178.406 176.300 0.035 0.000 1.137 403 R CA 2.058 58.210 56.100 0.088 0.000 0.951 403 R CB -0.705 29.507 30.300 -0.147 0.000 0.851 403 R HN 0.402 nan 8.270 nan 0.000 0.434 404 A N -0.282 122.568 122.820 0.050 0.000 1.841 404 A HA -0.074 4.246 4.320 -0.000 0.000 0.214 404 A C 2.358 179.955 177.584 0.021 0.000 1.195 404 A CA 1.730 53.782 52.037 0.024 0.000 0.611 404 A CB -0.951 18.069 19.000 0.033 0.000 0.835 404 A HN 0.170 nan 8.150 nan 0.000 0.443 405 V N 0.326 120.258 119.914 0.030 0.000 2.370 405 V HA -0.315 3.805 4.120 -0.000 0.000 0.252 405 V C 2.528 178.622 176.094 0.000 0.000 1.068 405 V CA 2.157 64.463 62.300 0.009 0.000 1.061 405 V CB -0.842 30.983 31.823 0.003 0.000 0.656 405 V HN 0.548 nan 8.190 nan 0.000 0.455 406 L N 0.053 121.279 121.223 0.006 0.000 2.156 406 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 406 L C 2.561 179.427 176.870 -0.006 0.000 1.095 406 L CA 1.348 56.186 54.840 -0.004 0.000 0.770 406 L CB -0.897 41.161 42.059 -0.002 0.000 0.914 406 L HN 0.472 nan 8.230 nan 0.000 0.439 407 G N -0.725 108.073 108.800 -0.003 0.000 2.448 407 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 407 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 407 G C 0.809 175.705 174.900 -0.006 0.000 1.135 407 G CA 0.447 45.543 45.100 -0.007 0.000 0.784 407 G HN 0.290 nan 8.290 nan 0.000 0.543 408 D N -0.145 120.252 120.400 -0.005 0.000 2.342 408 D HA 0.138 4.778 4.640 -0.000 0.000 0.221 408 D C 0.287 176.584 176.300 -0.006 0.000 1.101 408 D CA 0.062 54.059 54.000 -0.005 0.000 0.837 408 D CB 0.644 41.442 40.800 -0.004 0.000 0.938 408 D HN 0.313 nan 8.370 nan 0.000 0.508 409 E N 1.046 121.241 120.200 -0.008 0.000 2.055 409 E HA 0.225 4.575 4.350 -0.000 0.000 0.274 409 E C -1.924 174.673 176.600 -0.006 0.000 0.949 409 E CA -2.330 54.065 56.400 -0.009 0.000 0.775 409 E CB 1.530 31.220 29.700 -0.016 0.000 1.097 409 E HN -0.173 nan 8.360 nan 0.000 0.404 410 P HA -0.264 nan 4.420 nan 0.000 0.214 410 P C 0.743 178.044 177.300 0.001 0.000 1.172 410 P CA 1.652 64.752 63.100 0.000 0.000 0.925 410 P CB 0.263 31.965 31.700 0.003 0.000 0.793 411 Q N -0.983 118.820 119.800 0.005 0.000 2.112 411 Q HA -0.131 4.209 4.340 -0.000 0.000 0.206 411 Q C 2.130 178.131 176.000 0.002 0.000 0.987 411 Q CA 1.492 57.299 55.803 0.007 0.000 0.858 411 Q CB -1.374 27.373 28.738 0.015 0.000 0.905 411 Q HN 0.113 nan 8.270 nan 0.000 0.420 412 V N 0.331 120.243 119.914 -0.003 0.000 2.270 412 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 412 V C 2.082 178.171 176.094 -0.007 0.000 1.043 412 V CA 1.890 64.186 62.300 -0.007 0.000 1.014 412 V CB -0.868 30.948 31.823 -0.012 0.000 0.645 412 V HN 0.507 nan 8.190 nan 0.000 0.447 413 S N 0.766 116.462 115.700 -0.007 0.000 2.507 413 S HA 0.034 4.504 4.470 -0.000 0.000 0.235 413 S C 1.778 176.375 174.600 -0.006 0.000 0.988 413 S CA 0.982 59.178 58.200 -0.007 0.000 0.944 413 S CB -0.234 62.962 63.200 -0.007 0.000 0.762 413 S HN 0.551 nan 8.310 nan 0.000 0.526 414 A N 0.797 123.615 122.820 -0.004 0.000 2.147 414 A HA 0.254 4.574 4.320 -0.000 0.000 0.211 414 A C 2.119 179.701 177.584 -0.003 0.000 1.160 414 A CA 0.283 52.319 52.037 -0.002 0.000 0.781 414 A CB -0.001 18.999 19.000 0.000 0.000 0.842 414 A HN 0.349 nan 8.150 nan 0.000 0.475 415 E N -0.882 119.316 120.200 -0.003 0.000 2.372 415 E HA 0.276 4.626 4.350 -0.000 0.000 0.201 415 E C -0.347 176.249 176.600 -0.008 0.000 0.938 415 E CA 0.394 56.792 56.400 -0.004 0.000 0.944 415 E CB 0.426 30.125 29.700 -0.001 0.000 0.937 415 E HN 0.499 nan 8.360 nan 0.000 0.495 416 L N 1.525 122.742 121.223 -0.010 0.000 2.381 416 L HA 0.272 4.612 4.340 -0.000 0.000 0.274 416 L C 0.397 177.258 176.870 -0.015 0.000 0.988 416 L CA -0.748 54.084 54.840 -0.014 0.000 0.824 416 L CB 1.982 44.031 42.059 -0.018 0.000 1.263 416 L HN -0.090 nan 8.230 nan 0.000 0.410 417 S N 1.252 116.942 115.700 -0.016 0.000 2.606 417 S HA 0.177 4.647 4.470 -0.000 0.000 0.257 417 S C 1.296 175.885 174.600 -0.017 0.000 1.327 417 S CA 0.020 58.211 58.200 -0.015 0.000 0.984 417 S CB 1.162 64.353 63.200 -0.015 0.000 0.941 417 S HN 0.780 nan 8.310 nan 0.000 0.576 418 G N -0.218 108.572 108.800 -0.016 0.000 2.443 418 G HA2 0.065 4.025 3.960 -0.000 0.000 0.219 418 G HA3 0.065 4.025 3.960 -0.000 0.000 0.219 418 G C 1.447 176.335 174.900 -0.020 0.000 1.131 418 G CA 0.855 45.945 45.100 -0.018 0.000 0.775 418 G HN 0.987 nan 8.290 nan 0.000 0.547 419 E N 1.033 121.221 120.200 -0.020 0.000 2.158 419 E HA 0.017 4.367 4.350 -0.000 0.000 0.191 419 E C 2.050 178.630 176.600 -0.033 0.000 0.982 419 E CA 1.305 57.691 56.400 -0.022 0.000 0.823 419 E CB -0.496 29.192 29.700 -0.020 0.000 0.766 419 E HN 0.673 nan 8.360 nan 0.000 0.468 420 E N -0.030 120.149 120.200 -0.034 0.000 2.072 420 E HA 0.025 4.375 4.350 -0.000 0.000 0.190 420 E C 2.294 178.867 176.600 -0.044 0.000 0.982 420 E CA 0.831 57.204 56.400 -0.045 0.000 0.803 420 E CB -0.084 29.594 29.700 -0.036 0.000 0.755 420 E HN 0.444 nan 8.360 nan 0.000 0.453 421 L N 1.202 122.406 121.223 -0.032 0.000 2.141 421 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 421 L C 1.833 178.688 176.870 -0.025 0.000 1.094 421 L CA 0.848 55.672 54.840 -0.027 0.000 0.763 421 L CB -0.342 41.704 42.059 -0.022 0.000 0.908 421 L HN 0.082 nan 8.230 nan 0.000 0.437 422 D N -0.294 120.091 120.400 -0.025 0.000 2.144 422 D HA -0.178 4.462 4.640 -0.000 0.000 0.199 422 D C 2.245 178.549 176.300 0.006 0.000 0.984 422 D CA 0.937 54.928 54.000 -0.015 0.000 0.834 422 D CB -0.025 40.768 40.800 -0.012 0.000 0.955 422 D HN 0.177 nan 8.370 nan 0.000 0.465 423 R N 0.191 120.677 120.500 -0.024 0.000 2.062 423 R HA 0.021 4.361 4.340 -0.000 0.000 0.229 423 R C 2.399 178.690 176.300 -0.016 0.000 1.128 423 R CA 0.477 56.543 56.100 -0.057 0.000 0.960 423 R CB -0.322 29.846 30.300 -0.220 0.000 0.855 423 R HN 0.155 nan 8.270 nan 0.000 0.432 424 L N 0.787 121.985 121.223 -0.042 0.000 2.081 424 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 424 L C 1.734 178.594 176.870 -0.016 0.000 1.080 424 L CA 0.835 55.651 54.840 -0.039 0.000 0.754 424 L CB -0.208 41.818 42.059 -0.055 0.000 0.893 424 L HN 0.303 nan 8.230 nan 0.000 0.433 425 L N -0.348 120.883 121.223 0.013 0.000 2.645 425 L HA 0.093 4.433 4.340 -0.000 0.000 0.234 425 L C 0.053 176.970 176.870 0.077 0.000 1.165 425 L CA 0.455 55.323 54.840 0.046 0.000 0.944 425 L CB -0.935 41.162 42.059 0.064 0.000 1.149 425 L HN 0.141 nan 8.230 nan 0.000 0.446 426 D N 0.664 121.127 120.400 0.105 0.000 2.329 426 D HA 0.218 4.858 4.640 -0.000 0.000 0.232 426 D C -1.311 175.069 176.300 0.133 0.000 1.088 426 D CA -1.953 52.127 54.000 0.133 0.000 0.835 426 D CB 1.866 42.801 40.800 0.224 0.000 1.078 426 D HN -0.121 nan 8.370 nan 0.000 0.495 427 P HA -0.185 nan 4.420 nan 0.000 0.218 427 P C 1.041 178.381 177.300 0.067 0.000 1.148 427 P CA 0.881 64.042 63.100 0.101 0.000 0.822 427 P CB 0.101 31.846 31.700 0.075 0.000 0.784 428 A N -0.395 122.409 122.820 -0.028 0.000 2.186 428 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 428 A C 1.729 179.174 177.584 -0.231 0.000 1.159 428 A CA 1.261 53.209 52.037 -0.150 0.000 0.680 428 A CB -1.389 17.464 19.000 -0.246 0.000 0.787 428 A HN 0.291 nan 8.150 nan 0.000 0.467 429 H N -3.724 115.395 119.070 0.082 0.000 2.520 429 H HA 0.183 4.739 4.556 -0.000 0.000 0.284 429 H C -0.588 174.854 175.328 0.191 0.000 1.037 429 H CA 0.188 56.293 56.048 0.095 0.000 1.168 429 H CB 0.286 30.091 29.762 0.072 0.000 1.497 429 H HN 0.534 nan 8.280 nan 0.000 0.547 430 Y N 0.765 121.105 120.300 0.068 0.000 2.629 430 Y HA 0.166 4.716 4.550 -0.000 0.000 0.282 430 Y C 0.366 176.273 175.900 0.011 0.000 0.994 430 Y CA -0.486 57.640 58.100 0.043 0.000 1.126 430 Y CB -0.058 38.431 38.460 0.048 0.000 1.187 430 Y HN -0.038 nan 8.280 nan 0.000 0.600 431 L N 0.122 121.321 121.223 -0.039 0.000 2.591 431 L HA 0.309 4.649 4.340 -0.000 0.000 0.228 431 L C 1.715 178.477 176.870 -0.181 0.000 1.133 431 L CA 0.899 55.683 54.840 -0.094 0.000 0.880 431 L CB -0.900 41.121 42.059 -0.063 0.000 1.033 431 L HN 0.539 nan 8.230 nan 0.000 0.450 432 G N -0.068 108.582 108.800 -0.251 0.000 2.652 432 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.318 432 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.318 432 G C 0.781 175.493 174.900 -0.312 0.000 1.295 432 G CA 0.472 45.404 45.100 -0.281 0.000 0.999 432 G HN 0.290 nan 8.290 nan 0.000 0.548 433 Q N 0.962 120.479 119.800 -0.472 0.000 2.365 433 Q HA 0.408 4.748 4.340 -0.000 0.000 0.203 433 Q C 2.669 178.140 176.000 -0.882 0.000 0.929 433 Q CA 1.346 56.649 55.803 -0.834 0.000 0.948 433 Q CB -0.445 27.398 28.738 -1.492 0.000 1.043 433 Q HN 0.906 nan 8.270 nan 0.000 0.505 434 A N 1.618 124.168 122.820 -0.450 0.000 1.894 434 A HA -0.319 4.001 4.320 -0.000 0.000 0.220 434 A C 2.169 179.675 177.584 -0.130 0.000 1.237 434 A CA 2.026 53.949 52.037 -0.190 0.000 0.660 434 A CB -0.484 18.469 19.000 -0.079 0.000 0.835 434 A HN 0.340 nan 8.150 nan 0.000 0.461 435 R N -1.157 119.258 120.500 -0.142 0.000 2.115 435 R HA -0.045 4.295 4.340 -0.000 0.000 0.230 435 R C 2.077 178.332 176.300 -0.074 0.000 1.111 435 R CA 1.277 57.331 56.100 -0.077 0.000 0.976 435 R CB -0.459 29.798 30.300 -0.072 0.000 0.870 435 R HN 0.447 nan 8.270 nan 0.000 0.445 436 V N -0.352 119.448 119.914 -0.191 0.000 2.295 436 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 436 V C 1.867 178.010 176.094 0.083 0.000 1.049 436 V CA 1.764 63.973 62.300 -0.151 0.000 1.024 436 V CB -0.577 31.019 31.823 -0.379 0.000 0.648 436 V HN 0.469 nan 8.190 nan 0.000 0.447 437 W N -0.333 120.959 121.300 -0.013 0.000 2.335 437 W HA -0.193 4.467 4.660 0.000 0.000 0.311 437 W C 2.420 178.930 176.519 -0.014 0.000 1.213 437 W CA 0.630 57.966 57.345 -0.015 0.000 1.274 437 W CB -0.639 28.809 29.460 -0.020 0.000 1.148 437 W HN 0.046 nan 8.180 nan 0.000 0.498 438 V N 0.823 120.874 119.914 0.230 0.000 2.407 438 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 438 V C 2.360 178.512 176.094 0.096 0.000 1.055 438 V CA 1.974 64.348 62.300 0.123 0.000 1.049 438 V CB -1.474 30.395 31.823 0.078 0.000 0.662 438 V HN 0.266 nan 8.190 nan 0.000 0.455 439 A N 0.423 123.298 122.820 0.092 0.000 1.858 439 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 439 A C 2.369 180.007 177.584 0.089 0.000 1.190 439 A CA 1.917 53.997 52.037 0.072 0.000 0.617 439 A CB -0.495 18.535 19.000 0.049 0.000 0.827 439 A HN 0.536 nan 8.150 nan 0.000 0.443 440 R N -0.326 120.249 120.500 0.125 0.000 2.081 440 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 440 R C 2.472 178.825 176.300 0.088 0.000 1.131 440 R CA 1.248 57.418 56.100 0.117 0.000 0.960 440 R CB -0.573 29.827 30.300 0.165 0.000 0.856 440 R HN 0.502 nan 8.270 nan 0.000 0.436 441 A N 1.009 123.880 122.820 0.085 0.000 1.858 441 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 441 A C 2.431 180.055 177.584 0.067 0.000 1.190 441 A CA 1.529 53.593 52.037 0.046 0.000 0.617 441 A CB -0.659 18.353 19.000 0.020 0.000 0.827 441 A HN 0.118 nan 8.150 nan 0.000 0.443 442 V N -0.298 119.659 119.914 0.071 0.000 2.407 442 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 442 V C 2.798 178.975 176.094 0.137 0.000 1.055 442 V CA 2.239 64.599 62.300 0.100 0.000 1.049 442 V CB -0.789 31.077 31.823 0.071 0.000 0.662 442 V HN 0.678 nan 8.190 nan 0.000 0.455 443 S N -0.401 115.357 115.700 0.097 0.000 2.351 443 S HA -0.308 4.162 4.470 -0.000 0.000 0.220 443 S C 2.098 176.748 174.600 0.084 0.000 1.035 443 S CA 2.236 60.485 58.200 0.080 0.000 1.031 443 S CB -0.332 62.907 63.200 0.065 0.000 0.928 443 S HN 0.701 nan 8.310 nan 0.000 0.433 444 E N -0.804 119.448 120.200 0.086 0.000 2.118 444 E HA -0.272 4.078 4.350 -0.000 0.000 0.195 444 E C 1.929 178.600 176.600 0.118 0.000 0.992 444 E CA 1.500 57.951 56.400 0.086 0.000 0.804 444 E CB -0.237 29.501 29.700 0.063 0.000 0.741 444 E HN 0.795 nan 8.360 nan 0.000 0.458 445 H N 0.348 119.444 119.070 0.044 0.000 2.353 445 H HA -0.084 4.472 4.556 -0.000 0.000 0.300 445 H C 1.892 177.284 175.328 0.107 0.000 1.090 445 H CA 2.174 58.253 56.048 0.052 0.000 1.327 445 H CB 0.086 29.854 29.762 0.010 0.000 1.383 445 H HN 0.183 nan 8.280 nan 0.000 0.508 446 Q N -0.268 119.475 119.800 -0.095 0.000 2.172 446 Q HA -0.053 4.287 4.340 -0.000 0.000 0.200 446 Q C 2.324 178.286 176.000 -0.063 0.000 0.964 446 Q CA 0.619 56.344 55.803 -0.130 0.000 0.855 446 Q CB 0.191 28.926 28.738 -0.006 0.000 0.918 446 Q HN 0.402 nan 8.270 nan 0.000 0.444 447 R N 0.500 121.001 120.500 0.002 0.000 2.070 447 R HA -0.137 4.203 4.340 -0.000 0.000 0.233 447 R C 2.091 178.397 176.300 0.009 0.000 1.137 447 R CA 1.170 57.278 56.100 0.013 0.000 0.945 447 R CB -1.018 29.307 30.300 0.043 0.000 0.845 447 R HN 0.265 nan 8.270 nan 0.000 0.430 448 F N 2.451 122.354 119.950 -0.078 0.000 2.091 448 F HA -0.295 4.232 4.527 -0.000 0.000 0.299 448 F C 2.150 177.900 175.800 -0.083 0.000 1.103 448 F CA 2.151 60.110 58.000 -0.068 0.000 1.228 448 F CB -0.677 38.288 39.000 -0.060 0.000 0.984 448 F HN 0.025 nan 8.300 nan 0.000 0.477 449 T N 0.807 115.346 114.554 -0.025 0.000 2.616 449 T HA -0.340 4.010 4.350 -0.000 0.000 0.261 449 T C 1.157 175.730 174.700 -0.211 0.000 1.105 449 T CA 1.517 63.560 62.100 -0.096 0.000 1.159 449 T CB -1.185 67.624 68.868 -0.099 0.000 0.856 449 T HN 0.482 nan 8.240 nan 0.000 0.449 450 A N 0.000 122.705 122.820 -0.191 0.000 2.254 450 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 450 A CA 0.000 51.929 52.037 -0.180 0.000 0.836 450 A CB 0.000 18.933 19.000 -0.112 0.000 0.831 450 A HN 0.000 nan 8.150 nan 0.000 0.486