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 1r3r_1_A DATA FIRST_RESID 11 DATA SEQUENCE FPELKNDTFL RAAWGEETDY TPVWCMRQAG RYLPEFRETR AAQDFFSTCR DATA SEQUENCE SPEACCELTL QPLRRFPLDA AIIFSNILVV PQALGMEVTM VPGKGPSFPE DATA SEQUENCE PLREEQDLER LRDPEVVASE LGYVFQAITL TRQRLAGRVP LIGFAGAPWT DATA SEQUENCE LMTYMVEGGG SSTMAQAKRW LYQRPQASHQ LLRILTDALV PYLVGQVVAG DATA SEQUENCE AQALQLFESH AGHLGPQLFN KFALPYIRDV AKQVKARLRE AGLAPVPMII DATA SEQUENCE FAKDGHFALE ELAQAGYEVV GLDWTVAPKK ARECVGKTVT LQGNLDPCAL DATA SEQUENCE YASEEEIGQL VKQMLDDFGP HRYIANLGHG LYPDMDPEHV GAFVDAVHKH DATA SEQUENCE SRLLRQ 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 11 F HA 0.000 nan 4.527 nan 0.000 0.279 11 F C 0.000 175.807 175.800 0.011 0.000 0.967 11 F CA 0.000 58.006 58.000 0.010 0.000 1.383 11 F CB 0.000 39.007 39.000 0.012 0.000 1.145 12 P HA 0.102 nan 4.420 nan 0.000 0.267 12 P C -0.928 176.440 177.300 0.113 0.000 1.200 12 P CA -0.195 62.983 63.100 0.130 0.000 0.772 12 P CB 0.552 32.315 31.700 0.106 0.000 0.855 13 E N 1.512 121.758 120.200 0.077 0.000 2.360 13 E HA 0.122 4.471 4.350 -0.000 0.000 0.269 13 E C -0.607 176.025 176.600 0.055 0.000 1.022 13 E CA -0.667 55.771 56.400 0.064 0.000 0.887 13 E CB 0.315 30.044 29.700 0.047 0.000 0.990 13 E HN 0.225 nan 8.360 nan 0.000 0.426 14 L N 4.909 126.163 121.223 0.052 0.000 2.410 14 L HA 0.082 4.422 4.340 -0.000 0.000 0.273 14 L C 0.542 177.439 176.870 0.044 0.000 1.152 14 L CA 0.784 55.651 54.840 0.045 0.000 0.855 14 L CB 0.691 42.780 42.059 0.049 0.000 1.129 14 L HN 0.683 nan 8.230 nan 0.000 0.463 15 K N 2.390 122.816 120.400 0.043 0.000 2.141 15 K HA 0.094 4.414 4.320 -0.000 0.000 0.202 15 K C 0.212 176.843 176.600 0.052 0.000 1.045 15 K CA 0.405 56.718 56.287 0.042 0.000 0.971 15 K CB 0.124 32.646 32.500 0.037 0.000 0.795 15 K HN 0.533 nan 8.250 nan 0.000 0.459 16 N N 1.933 120.669 118.700 0.061 0.000 2.511 16 N HA -0.010 4.730 4.740 -0.000 0.000 0.249 16 N C -1.048 174.514 175.510 0.086 0.000 0.971 16 N CA -0.329 52.771 53.050 0.083 0.000 0.938 16 N CB 1.081 39.628 38.487 0.100 0.000 1.131 16 N HN 0.080 nan 8.380 nan 0.000 0.505 17 D N 1.631 122.079 120.400 0.079 0.000 2.424 17 D HA 0.063 4.703 4.640 -0.000 0.000 0.220 17 D C 0.483 176.828 176.300 0.076 0.000 1.150 17 D CA -0.067 53.986 54.000 0.089 0.000 0.831 17 D CB -0.129 40.718 40.800 0.079 0.000 0.981 17 D HN 0.343 nan 8.370 nan 0.000 0.500 18 T N 0.272 114.853 114.554 0.045 0.000 2.699 18 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 18 T C 1.301 175.990 174.700 -0.017 0.000 1.036 18 T CA 1.193 63.257 62.100 -0.062 0.000 1.147 18 T CB -0.559 68.162 68.868 -0.246 0.000 0.862 18 T HN 0.299 nan 8.240 nan 0.000 0.446 19 F N 1.699 121.608 119.950 -0.069 0.000 2.126 19 F HA -0.055 4.472 4.527 -0.000 0.000 0.299 19 F C 1.848 177.610 175.800 -0.064 0.000 1.096 19 F CA 1.160 59.121 58.000 -0.065 0.000 1.255 19 F CB -0.447 38.515 39.000 -0.064 0.000 0.997 19 F HN 0.070 nan 8.300 nan 0.000 0.479 20 L N -0.125 121.068 121.223 -0.050 0.000 2.044 20 L HA -0.141 4.198 4.340 -0.000 0.000 0.205 20 L C 2.690 179.557 176.870 -0.005 0.000 1.075 20 L CA 1.249 56.020 54.840 -0.115 0.000 0.747 20 L CB -0.737 41.402 42.059 0.132 0.000 0.903 20 L HN 0.015 nan 8.230 nan 0.000 0.435 21 R N 0.219 120.754 120.500 0.060 0.000 2.096 21 R HA -0.189 4.151 4.340 -0.000 0.000 0.240 21 R C 2.434 178.742 176.300 0.014 0.000 1.139 21 R CA 1.556 57.708 56.100 0.087 0.000 0.952 21 R CB -0.599 29.721 30.300 0.032 0.000 0.854 21 R HN 0.373 nan 8.270 nan 0.000 0.436 22 A N 1.191 123.951 122.820 -0.100 0.000 1.902 22 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 22 A C 2.390 179.866 177.584 -0.180 0.000 1.181 22 A CA 1.659 53.623 52.037 -0.123 0.000 0.623 22 A CB -0.639 18.263 19.000 -0.163 0.000 0.818 22 A HN 0.418 nan 8.150 nan 0.000 0.443 23 A N -1.380 121.213 122.820 -0.378 0.000 1.908 23 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 23 A C 1.931 179.288 177.584 -0.379 0.000 1.181 23 A CA 1.350 53.081 52.037 -0.509 0.000 0.627 23 A CB -0.905 17.581 19.000 -0.857 0.000 0.818 23 A HN 0.775 nan 8.150 nan 0.000 0.445 24 W N -1.448 119.772 121.300 -0.134 0.000 2.800 24 W HA 0.337 4.997 4.660 -0.000 0.000 0.249 24 W C 1.587 178.075 176.519 -0.051 0.000 1.294 24 W CA 0.668 57.966 57.345 -0.077 0.000 1.402 24 W CB 0.203 29.622 29.460 -0.068 0.000 1.126 24 W HN 0.597 nan 8.180 nan 0.000 0.652 25 G N 0.595 109.468 108.800 0.122 0.000 2.131 25 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.201 25 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.201 25 G C -0.123 174.830 174.900 0.088 0.000 1.000 25 G CA -0.507 44.647 45.100 0.090 0.000 0.680 25 G HN 0.303 nan 8.290 nan 0.000 0.514 26 E N -0.020 120.233 120.200 0.089 0.000 2.318 26 E HA 0.494 4.844 4.350 -0.000 0.000 0.265 26 E C 0.238 176.875 176.600 0.062 0.000 1.069 26 E CA -0.675 55.765 56.400 0.066 0.000 0.893 26 E CB 0.899 30.634 29.700 0.059 0.000 1.076 26 E HN 0.275 nan 8.360 nan 0.000 0.414 27 E N 1.068 121.309 120.200 0.067 0.000 2.373 27 E HA 0.068 4.418 4.350 -0.000 0.000 0.267 27 E C -0.825 175.795 176.600 0.033 0.000 1.032 27 E CA 0.135 56.586 56.400 0.086 0.000 0.889 27 E CB 0.622 30.384 29.700 0.103 0.000 0.984 27 E HN 0.496 nan 8.360 nan 0.000 0.425 28 T N 0.401 114.958 114.554 0.005 0.000 2.887 28 T HA 0.333 4.683 4.350 -0.000 0.000 0.292 28 T C 0.081 174.764 174.700 -0.029 0.000 1.087 28 T CA -0.899 61.169 62.100 -0.054 0.000 1.009 28 T CB 1.155 69.917 68.868 -0.176 0.000 1.203 28 T HN 0.246 nan 8.240 nan 0.000 0.518 29 D N -0.279 120.111 120.400 -0.016 0.000 2.347 29 D HA 0.172 4.812 4.640 -0.000 0.000 0.213 29 D C 0.210 176.619 176.300 0.182 0.000 0.985 29 D CA 1.150 55.204 54.000 0.091 0.000 0.879 29 D CB -0.120 40.773 40.800 0.155 0.000 0.919 29 D HN 0.716 nan 8.370 nan 0.000 0.526 30 Y N -3.321 116.989 120.300 0.016 0.000 2.689 30 Y HA 0.448 4.998 4.550 -0.000 0.000 0.333 30 Y C -0.825 175.100 175.900 0.042 0.000 1.208 30 Y CA -1.325 56.790 58.100 0.025 0.000 1.055 30 Y CB 0.620 39.080 38.460 -0.001 0.000 1.304 30 Y HN -0.437 nan 8.280 nan 0.000 0.455 31 T N 5.067 119.721 114.554 0.168 0.000 2.749 31 T HA 0.379 4.729 4.350 -0.000 0.000 0.295 31 T C -2.659 172.107 174.700 0.111 0.000 0.936 31 T CA -1.203 60.913 62.100 0.027 0.000 1.060 31 T CB 0.731 69.628 68.868 0.050 0.000 0.904 31 T HN 0.401 nan 8.240 nan 0.000 0.500 32 P HA 0.390 nan 4.420 nan 0.000 0.277 32 P C -0.899 176.464 177.300 0.105 0.000 1.240 32 P CA -0.444 62.741 63.100 0.141 0.000 0.798 32 P CB 1.123 32.881 31.700 0.095 0.000 0.979 33 V N 4.423 124.442 119.914 0.175 0.000 2.888 33 V HA 0.810 4.930 4.120 -0.000 0.000 0.309 33 V C -1.585 174.633 176.094 0.206 0.000 1.114 33 V CA -0.538 61.783 62.300 0.035 0.000 0.940 33 V CB 1.781 33.444 31.823 -0.267 0.000 1.021 33 V HN 0.809 nan 8.190 nan 0.000 0.426 34 W N 4.280 125.552 121.300 -0.047 0.000 3.018 34 W HA 0.782 5.442 4.660 -0.000 0.000 0.352 34 W C -2.093 174.425 176.519 -0.002 0.000 1.230 34 W CA -1.330 55.990 57.345 -0.042 0.000 1.162 34 W CB 1.075 30.460 29.460 -0.125 0.000 1.483 34 W HN 0.654 nan 8.180 nan 0.000 0.584 35 C N 2.298 121.579 119.300 -0.032 0.000 2.396 35 C HA 0.491 4.951 4.460 -0.000 0.000 0.321 35 C C 0.633 175.459 174.990 -0.273 0.000 1.233 35 C CA -0.561 58.278 59.018 -0.299 0.000 1.440 35 C CB 0.701 28.319 27.740 -0.202 0.000 2.110 35 C HN 0.606 nan 8.230 nan 0.000 0.473 36 M N 2.797 122.076 119.600 -0.535 0.000 2.251 36 M HA 0.120 4.600 4.480 -0.000 0.000 0.343 36 M C 1.063 177.301 176.300 -0.104 0.000 1.245 36 M CA 1.007 56.169 55.300 -0.231 0.000 1.061 36 M CB 0.218 32.697 32.600 -0.202 0.000 1.723 36 M HN 0.753 nan 8.290 nan 0.000 0.449 37 R N 0.652 121.159 120.500 0.012 0.000 3.770 37 R HA -0.255 4.085 4.340 -0.000 0.000 0.305 37 R C 1.189 177.556 176.300 0.111 0.000 1.184 37 R CA 1.091 57.206 56.100 0.025 0.000 0.823 37 R CB -1.890 28.375 30.300 -0.058 0.000 1.285 37 R HN 0.894 nan 8.270 nan 0.000 0.499 38 Q N -0.445 119.461 119.800 0.177 0.000 2.181 38 Q HA -0.025 4.315 4.340 -0.000 0.000 0.205 38 Q C 0.739 176.984 176.000 0.409 0.000 0.980 38 Q CA 1.626 57.605 55.803 0.294 0.000 0.862 38 Q CB 0.155 29.072 28.738 0.299 0.000 0.905 38 Q HN 0.419 nan 8.270 nan 0.000 0.429 39 A N 1.019 124.031 122.820 0.319 0.000 2.391 39 A HA 0.634 4.954 4.320 -0.000 0.000 0.316 39 A C 0.051 177.660 177.584 0.041 0.000 1.381 39 A CA 0.200 52.416 52.037 0.298 0.000 0.998 39 A CB 0.355 19.622 19.000 0.445 0.000 1.147 39 A HN 0.437 nan 8.150 nan 0.000 0.545 40 G N 0.825 109.359 108.800 -0.442 0.000 2.600 40 G HA2 0.414 4.374 3.960 -0.000 0.000 0.293 40 G HA3 0.414 4.374 3.960 -0.000 0.000 0.293 40 G C 0.215 174.413 174.900 -1.170 0.000 1.408 40 G CA -0.815 43.672 45.100 -1.021 0.000 0.782 40 G HN 0.490 nan 8.290 nan 0.000 0.482 41 R N -0.814 119.249 120.500 -0.729 0.000 2.293 41 R HA -0.072 4.268 4.340 -0.000 0.000 0.219 41 R C 2.020 178.264 176.300 -0.093 0.000 1.091 41 R CA 1.561 57.523 56.100 -0.231 0.000 1.004 41 R CB -0.374 29.910 30.300 -0.025 0.000 0.865 41 R HN 0.693 nan 8.270 nan 0.000 0.469 42 Y N -0.496 119.730 120.300 -0.123 0.000 2.497 42 Y HA 0.048 4.598 4.550 -0.000 0.000 0.292 42 Y C 0.494 176.400 175.900 0.011 0.000 1.137 42 Y CA 0.062 58.139 58.100 -0.038 0.000 1.285 42 Y CB -0.155 38.279 38.460 -0.045 0.000 0.991 42 Y HN -0.137 nan 8.280 nan 0.000 0.556 43 L N 3.019 123.775 121.223 -0.779 0.000 2.265 43 L HA 0.223 4.563 4.340 -0.000 0.000 0.288 43 L C -1.527 175.260 176.870 -0.138 0.000 1.058 43 L CA -2.055 52.496 54.840 -0.482 0.000 0.809 43 L CB 1.233 42.996 42.059 -0.493 0.000 1.179 43 L HN -0.057 nan 8.230 nan 0.000 0.429 44 P HA -0.203 nan 4.420 nan 0.000 0.216 44 P C 1.231 178.523 177.300 -0.012 0.000 1.150 44 P CA 1.021 64.108 63.100 -0.022 0.000 0.837 44 P CB 0.131 31.817 31.700 -0.023 0.000 0.786 45 E N -0.626 119.554 120.200 -0.033 0.000 2.204 45 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 45 E C 1.984 178.568 176.600 -0.028 0.000 0.989 45 E CA 0.924 57.300 56.400 -0.039 0.000 0.824 45 E CB -1.418 28.248 29.700 -0.056 0.000 0.756 45 E HN 0.272 nan 8.360 nan 0.000 0.477 46 F N 2.316 122.174 119.950 -0.153 0.000 2.102 46 F HA -0.095 4.432 4.527 -0.000 0.000 0.298 46 F C 2.571 178.297 175.800 -0.124 0.000 1.105 46 F CA 1.664 59.569 58.000 -0.159 0.000 1.239 46 F CB 0.034 38.934 39.000 -0.166 0.000 0.991 46 F HN -0.159 nan 8.300 nan 0.000 0.474 47 R N 0.050 120.662 120.500 0.186 0.000 2.081 47 R HA -0.203 4.137 4.340 -0.000 0.000 0.235 47 R C 2.211 178.483 176.300 -0.046 0.000 1.131 47 R CA 1.719 57.876 56.100 0.095 0.000 0.960 47 R CB -0.605 29.757 30.300 0.103 0.000 0.856 47 R HN 0.420 nan 8.270 nan 0.000 0.436 48 E N 0.225 120.393 120.200 -0.053 0.000 2.058 48 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 48 E C 1.594 178.117 176.600 -0.129 0.000 0.997 48 E CA 2.109 58.464 56.400 -0.075 0.000 0.801 48 E CB -0.033 29.630 29.700 -0.061 0.000 0.746 48 E HN 0.132 nan 8.360 nan 0.000 0.450 49 T N 0.535 114.973 114.554 -0.194 0.000 2.746 49 T HA -0.070 4.280 4.350 -0.000 0.000 0.267 49 T C 1.793 176.313 174.700 -0.300 0.000 1.039 49 T CA 1.042 62.992 62.100 -0.251 0.000 1.142 49 T CB -0.127 68.553 68.868 -0.312 0.000 0.866 49 T HN 0.115 nan 8.240 nan 0.000 0.444 50 R N 1.023 121.289 120.500 -0.390 0.000 2.148 50 R HA 0.164 4.503 4.340 -0.000 0.000 0.227 50 R C 2.654 178.861 176.300 -0.156 0.000 1.103 50 R CA 0.972 56.875 56.100 -0.327 0.000 0.983 50 R CB -0.713 29.365 30.300 -0.369 0.000 0.874 50 R HN 0.402 nan 8.270 nan 0.000 0.451 51 A N 1.199 123.950 122.820 -0.114 0.000 2.024 51 A HA -0.102 4.218 4.320 -0.000 0.000 0.220 51 A C 2.339 179.886 177.584 -0.062 0.000 1.164 51 A CA 1.606 53.605 52.037 -0.062 0.000 0.643 51 A CB -0.365 18.608 19.000 -0.046 0.000 0.806 51 A HN 0.337 nan 8.150 nan 0.000 0.451 52 A N -1.091 121.679 122.820 -0.084 0.000 1.902 52 A HA 0.022 4.342 4.320 -0.000 0.000 0.217 52 A C 1.327 178.873 177.584 -0.063 0.000 1.181 52 A CA 1.601 53.594 52.037 -0.073 0.000 0.623 52 A CB -0.184 18.763 19.000 -0.088 0.000 0.818 52 A HN 0.661 nan 8.150 nan 0.000 0.443 53 Q N -0.694 119.061 119.800 -0.075 0.000 2.633 53 Q HA 0.422 4.761 4.340 -0.000 0.000 0.292 53 Q C -0.952 175.027 176.000 -0.035 0.000 1.089 53 Q CA -0.632 55.136 55.803 -0.058 0.000 0.811 53 Q CB 0.973 29.664 28.738 -0.077 0.000 1.472 53 Q HN 0.545 nan 8.270 nan 0.000 0.464 54 D N -0.354 120.041 120.400 -0.009 0.000 2.383 54 D HA 0.015 4.655 4.640 -0.000 0.000 0.248 54 D C 0.206 176.531 176.300 0.041 0.000 1.170 54 D CA -0.422 53.602 54.000 0.041 0.000 0.977 54 D CB 0.780 41.618 40.800 0.063 0.000 1.120 54 D HN 0.488 nan 8.370 nan 0.000 0.481 55 F N 0.254 120.165 119.950 -0.064 0.000 2.069 55 F HA -0.131 4.396 4.527 -0.000 0.000 0.298 55 F C 1.850 177.517 175.800 -0.222 0.000 1.113 55 F CA 1.331 59.233 58.000 -0.163 0.000 1.214 55 F CB -0.332 38.490 39.000 -0.296 0.000 0.978 55 F HN 0.290 nan 8.300 nan 0.000 0.474 56 F N -0.917 119.050 119.950 0.029 0.000 2.456 56 F HA -0.061 4.466 4.527 -0.000 0.000 0.298 56 F C 2.753 178.444 175.800 -0.182 0.000 1.104 56 F CA 1.063 59.005 58.000 -0.096 0.000 1.435 56 F CB -0.708 38.294 39.000 0.004 0.000 1.078 56 F HN 0.005 nan 8.300 nan 0.000 0.546 57 S N -0.668 115.021 115.700 -0.018 0.000 2.406 57 S HA -0.132 4.338 4.470 -0.000 0.000 0.228 57 S C 2.138 176.661 174.600 -0.128 0.000 1.020 57 S CA 1.715 59.866 58.200 -0.082 0.000 0.965 57 S CB -0.369 62.800 63.200 -0.051 0.000 0.798 57 S HN 0.305 nan 8.310 nan 0.000 0.488 58 T N 1.085 115.537 114.554 -0.168 0.000 2.708 58 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 58 T C 1.937 176.571 174.700 -0.110 0.000 1.037 58 T CA 1.575 63.567 62.100 -0.180 0.000 1.146 58 T CB -0.748 67.960 68.868 -0.266 0.000 0.865 58 T HN 0.515 nan 8.240 nan 0.000 0.435 59 C N 1.392 120.596 119.300 -0.160 0.000 2.410 59 C HA -0.013 4.447 4.460 -0.000 0.000 0.281 59 C C 2.496 177.517 174.990 0.052 0.000 1.318 59 C CA 0.491 59.496 59.018 -0.021 0.000 1.776 59 C CB -1.104 26.585 27.740 -0.084 0.000 1.942 59 C HN 0.501 nan 8.230 nan 0.000 0.508 60 R N 0.295 120.690 120.500 -0.175 0.000 2.320 60 R HA 0.057 4.397 4.340 -0.000 0.000 0.211 60 R C 0.672 176.920 176.300 -0.087 0.000 0.931 60 R CA 0.134 56.029 56.100 -0.342 0.000 1.071 60 R CB 0.024 29.991 30.300 -0.556 0.000 1.025 60 R HN 0.353 nan 8.270 nan 0.000 0.495 61 S N 1.128 116.813 115.700 -0.025 0.000 2.520 61 S HA 0.281 4.751 4.470 -0.000 0.000 0.324 61 S C -2.006 172.617 174.600 0.038 0.000 1.069 61 S CA -2.070 56.125 58.200 -0.008 0.000 1.121 61 S CB 1.347 64.521 63.200 -0.044 0.000 0.971 61 S HN -0.137 nan 8.310 nan 0.000 0.463 62 P HA -0.108 nan 4.420 nan 0.000 0.215 62 P C 1.336 178.665 177.300 0.049 0.000 1.153 62 P CA 1.004 64.151 63.100 0.078 0.000 0.853 62 P CB 0.204 31.953 31.700 0.083 0.000 0.788 63 E N -0.552 119.661 120.200 0.022 0.000 2.077 63 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 63 E C 2.068 178.653 176.600 -0.024 0.000 0.989 63 E CA 1.437 57.838 56.400 0.002 0.000 0.800 63 E CB -0.761 28.933 29.700 -0.008 0.000 0.746 63 E HN 0.152 nan 8.360 nan 0.000 0.452 64 A N 0.854 123.646 122.820 -0.045 0.000 1.898 64 A HA -0.172 4.147 4.320 -0.000 0.000 0.216 64 A C 2.624 180.148 177.584 -0.099 0.000 1.181 64 A CA 1.364 53.339 52.037 -0.104 0.000 0.620 64 A CB -0.858 18.057 19.000 -0.142 0.000 0.819 64 A HN 0.331 nan 8.150 nan 0.000 0.442 65 C N -1.654 117.649 119.300 0.005 0.000 2.429 65 C HA -0.138 4.322 4.460 -0.000 0.000 0.277 65 C C 2.962 178.009 174.990 0.095 0.000 1.262 65 C CA 0.635 59.727 59.018 0.123 0.000 1.733 65 C CB -1.719 26.158 27.740 0.228 0.000 2.010 65 C HN 0.788 nan 8.230 nan 0.000 0.483 66 C N 1.347 120.684 119.300 0.062 0.000 2.413 66 C HA -0.156 4.303 4.460 -0.000 0.000 0.276 66 C C 2.788 177.789 174.990 0.019 0.000 1.236 66 C CA 2.154 61.202 59.018 0.050 0.000 1.735 66 C CB -1.365 26.398 27.740 0.039 0.000 2.031 66 C HN 0.691 nan 8.230 nan 0.000 0.474 67 E N 0.588 120.775 120.200 -0.022 0.000 2.051 67 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 67 E C 2.004 178.567 176.600 -0.061 0.000 0.991 67 E CA 1.821 58.191 56.400 -0.050 0.000 0.799 67 E CB -0.604 29.046 29.700 -0.084 0.000 0.748 67 E HN 0.724 nan 8.360 nan 0.000 0.449 68 L N 0.069 121.222 121.223 -0.116 0.000 2.093 68 L HA -0.143 4.196 4.340 -0.000 0.000 0.208 68 L C 2.515 179.425 176.870 0.066 0.000 1.085 68 L CA 1.602 56.374 54.840 -0.114 0.000 0.755 68 L CB -0.784 41.021 42.059 -0.424 0.000 0.904 68 L HN 0.201 nan 8.230 nan 0.000 0.435 69 T N 0.537 115.158 114.554 0.111 0.000 2.665 69 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 69 T C 1.930 176.689 174.700 0.098 0.000 1.035 69 T CA 1.430 63.618 62.100 0.148 0.000 1.151 69 T CB -0.278 68.672 68.868 0.138 0.000 0.862 69 T HN 0.225 nan 8.240 nan 0.000 0.438 70 L N 0.483 121.739 121.223 0.055 0.000 2.156 70 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 70 L C 2.863 179.748 176.870 0.025 0.000 1.095 70 L CA 0.974 55.834 54.840 0.033 0.000 0.770 70 L CB -0.618 41.448 42.059 0.012 0.000 0.914 70 L HN 0.320 nan 8.230 nan 0.000 0.439 71 Q N 0.274 120.087 119.800 0.021 0.000 2.062 71 Q HA -0.219 4.121 4.340 -0.000 0.000 0.209 71 Q C -0.466 175.526 176.000 -0.014 0.000 0.996 71 Q CA 2.226 58.025 55.803 -0.006 0.000 0.859 71 Q CB -1.145 27.592 28.738 -0.001 0.000 0.920 71 Q HN 0.426 nan 8.270 nan 0.000 0.415 72 P HA -0.184 nan 4.420 nan 0.000 0.216 72 P C 1.139 178.476 177.300 0.062 0.000 1.150 72 P CA 1.365 64.549 63.100 0.140 0.000 0.837 72 P CB -0.143 31.757 31.700 0.332 0.000 0.786 73 L N -1.022 120.243 121.223 0.070 0.000 2.291 73 L HA -0.021 4.319 4.340 -0.000 0.000 0.214 73 L C 2.786 179.645 176.870 -0.019 0.000 1.120 73 L CA 1.003 55.877 54.840 0.057 0.000 0.799 73 L CB -0.668 41.424 42.059 0.056 0.000 0.925 73 L HN -0.074 nan 8.230 nan 0.000 0.446 74 R N -0.190 120.270 120.500 -0.067 0.000 2.148 74 R HA -0.075 4.265 4.340 -0.000 0.000 0.227 74 R C 2.269 178.458 176.300 -0.185 0.000 1.103 74 R CA 0.828 56.869 56.100 -0.098 0.000 0.983 74 R CB -0.094 30.153 30.300 -0.088 0.000 0.874 74 R HN 0.365 nan 8.270 nan 0.000 0.451 75 R N -0.581 119.697 120.500 -0.369 0.000 2.128 75 R HA 0.127 4.467 4.340 -0.000 0.000 0.211 75 R C -0.071 175.845 176.300 -0.640 0.000 1.067 75 R CA 0.692 56.371 56.100 -0.701 0.000 1.010 75 R CB 0.417 29.852 30.300 -1.442 0.000 0.922 75 R HN 0.021 nan 8.270 nan 0.000 0.457 76 F N 0.418 120.408 119.950 0.067 0.000 2.565 76 F HA 0.357 4.884 4.527 -0.000 0.000 0.313 76 F C -2.090 173.754 175.800 0.073 0.000 1.091 76 F CA -2.881 55.161 58.000 0.069 0.000 0.915 76 F CB 1.787 40.836 39.000 0.081 0.000 1.208 76 F HN -0.221 nan 8.300 nan 0.000 0.453 77 P HA 0.154 nan 4.420 nan 0.000 0.226 77 P C -0.545 176.919 177.300 0.272 0.000 1.783 77 P CA 0.235 63.460 63.100 0.208 0.000 0.980 77 P CB -0.104 31.697 31.700 0.169 0.000 1.967 78 L N 1.152 122.520 121.223 0.243 0.000 2.452 78 L HA 0.148 4.488 4.340 -0.000 0.000 0.267 78 L C 1.559 178.544 176.870 0.192 0.000 1.188 78 L CA 0.244 55.215 54.840 0.219 0.000 0.821 78 L CB 0.375 42.568 42.059 0.223 0.000 1.102 78 L HN 0.063 nan 8.230 nan 0.000 0.470 79 D N 1.638 122.161 120.400 0.206 0.000 2.328 79 D HA 0.270 4.910 4.640 -0.000 0.000 0.221 79 D C 0.069 176.351 176.300 -0.030 0.000 1.072 79 D CA 0.333 54.438 54.000 0.174 0.000 0.850 79 D CB 0.774 41.753 40.800 0.298 0.000 0.922 79 D HN 0.534 nan 8.370 nan 0.000 0.516 80 A N 0.232 122.958 122.820 -0.156 0.000 2.604 80 A HA 0.683 5.003 4.320 -0.000 0.000 0.295 80 A C -1.386 176.019 177.584 -0.299 0.000 1.067 80 A CA -0.596 51.159 52.037 -0.469 0.000 0.683 80 A CB 1.595 19.804 19.000 -1.318 0.000 1.281 80 A HN 0.037 nan 8.150 nan 0.000 0.407 81 A N 0.680 123.323 122.820 -0.295 0.000 2.320 81 A HA 0.832 5.152 4.320 -0.000 0.000 0.334 81 A C -0.576 176.847 177.584 -0.268 0.000 1.147 81 A CA -0.454 51.485 52.037 -0.163 0.000 0.820 81 A CB 0.767 19.724 19.000 -0.071 0.000 1.218 81 A HN 1.617 nan 8.150 nan 0.000 0.482 82 I N 1.714 122.208 120.570 -0.127 0.000 2.509 82 I HA 0.480 4.650 4.170 -0.000 0.000 0.293 82 I C -0.718 175.467 176.117 0.114 0.000 1.020 82 I CA -1.163 60.089 61.300 -0.081 0.000 1.088 82 I CB 1.270 39.191 38.000 -0.130 0.000 1.267 82 I HN 0.692 nan 8.210 nan 0.000 0.430 83 I N 7.311 127.988 120.570 0.178 0.000 2.775 83 I HA 0.015 4.185 4.170 -0.000 0.000 0.290 83 I C -0.672 175.656 176.117 0.352 0.000 1.203 83 I CA 0.476 61.915 61.300 0.232 0.000 1.433 83 I CB 0.271 38.375 38.000 0.174 0.000 1.354 83 I HN 0.447 nan 8.210 nan 0.000 0.579 84 F N 7.756 127.830 119.950 0.207 0.000 2.506 84 F HA 0.449 4.976 4.527 -0.000 0.000 0.371 84 F C 0.493 176.431 175.800 0.230 0.000 1.078 84 F CA 0.890 59.026 58.000 0.227 0.000 1.195 84 F CB 0.274 39.368 39.000 0.157 0.000 1.099 84 F HN 0.601 nan 8.300 nan 0.000 0.548 85 S N 4.437 119.839 115.700 -0.495 0.000 2.761 85 S HA 0.394 4.864 4.470 -0.000 0.000 0.290 85 S C -1.792 172.710 174.600 -0.164 0.000 1.222 85 S CA -0.918 57.112 58.200 -0.283 0.000 0.954 85 S CB 1.018 64.158 63.200 -0.099 0.000 1.281 85 S HN 0.801 nan 8.310 nan 0.000 0.527 86 N N 0.474 119.209 118.700 0.058 0.000 2.396 86 N HA 0.360 5.100 4.740 -0.000 0.000 0.275 86 N C 0.663 176.294 175.510 0.202 0.000 1.218 86 N CA -0.137 53.038 53.050 0.208 0.000 0.812 86 N CB 1.572 40.230 38.487 0.285 0.000 1.592 86 N HN 0.719 nan 8.380 nan 0.000 0.480 87 I N 0.008 120.708 120.570 0.218 0.000 2.830 87 I HA -0.012 4.158 4.170 -0.000 0.000 0.263 87 I C 1.118 177.295 176.117 0.101 0.000 1.230 87 I CA 0.823 62.225 61.300 0.170 0.000 1.480 87 I CB -0.022 38.083 38.000 0.175 0.000 1.095 87 I HN 0.379 nan 8.210 nan 0.000 0.455 88 L N 1.494 122.788 121.223 0.118 0.000 2.599 88 L HA -0.000 4.340 4.340 -0.000 0.000 0.230 88 L C 2.562 179.500 176.870 0.113 0.000 1.141 88 L CA 0.299 55.214 54.840 0.125 0.000 0.877 88 L CB -0.228 41.908 42.059 0.129 0.000 1.009 88 L HN 0.364 nan 8.230 nan 0.000 0.447 89 V N -4.125 115.864 119.914 0.124 0.000 2.594 89 V HA -0.173 3.947 4.120 -0.000 0.000 0.253 89 V C 2.153 178.174 176.094 -0.121 0.000 1.069 89 V CA 1.274 63.596 62.300 0.037 0.000 1.082 89 V CB -0.627 31.215 31.823 0.031 0.000 0.680 89 V HN 0.178 nan 8.190 nan 0.000 0.469 90 V N 1.015 120.845 119.914 -0.139 0.000 2.255 90 V HA -0.047 4.073 4.120 -0.000 0.000 0.243 90 V C 0.553 176.600 176.094 -0.077 0.000 1.038 90 V CA 2.586 64.781 62.300 -0.175 0.000 1.008 90 V CB -1.766 29.983 31.823 -0.124 0.000 0.645 90 V HN 0.502 nan 8.190 nan 0.000 0.449 91 P HA -0.189 nan 4.420 nan 0.000 0.218 91 P C 1.673 179.005 177.300 0.053 0.000 1.148 91 P CA 1.441 64.550 63.100 0.015 0.000 0.822 91 P CB -0.048 31.686 31.700 0.057 0.000 0.784 92 Q N -0.400 119.421 119.800 0.035 0.000 2.030 92 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 92 Q C 2.283 178.255 176.000 -0.047 0.000 0.986 92 Q CA 1.944 57.721 55.803 -0.043 0.000 0.843 92 Q CB -0.738 27.903 28.738 -0.161 0.000 0.904 92 Q HN 0.179 nan 8.270 nan 0.000 0.420 93 A N 0.255 123.035 122.820 -0.067 0.000 2.067 93 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 93 A C 1.823 179.375 177.584 -0.054 0.000 1.158 93 A CA 0.746 52.739 52.037 -0.072 0.000 0.661 93 A CB -0.338 18.579 19.000 -0.139 0.000 0.801 93 A HN 0.296 nan 8.150 nan 0.000 0.452 94 L N -1.496 119.699 121.223 -0.047 0.000 2.552 94 L HA 0.148 4.488 4.340 -0.000 0.000 0.227 94 L C 1.657 178.515 176.870 -0.021 0.000 1.146 94 L CA 0.718 55.538 54.840 -0.033 0.000 0.858 94 L CB 0.034 42.069 42.059 -0.039 0.000 0.969 94 L HN 0.577 nan 8.230 nan 0.000 0.451 95 G N -0.993 107.798 108.800 -0.016 0.000 2.192 95 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.193 95 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.193 95 G C 0.215 175.120 174.900 0.007 0.000 0.999 95 G CA -0.501 44.594 45.100 -0.008 0.000 0.659 95 G HN 0.130 nan 8.290 nan 0.000 0.503 96 M N 1.245 120.864 119.600 0.032 0.000 2.249 96 M HA 0.410 4.890 4.480 -0.000 0.000 0.351 96 M C -0.035 176.330 176.300 0.107 0.000 1.180 96 M CA -0.291 55.069 55.300 0.101 0.000 1.127 96 M CB 0.903 33.595 32.600 0.152 0.000 1.546 96 M HN -0.018 nan 8.290 nan 0.000 0.461 97 E N 2.447 122.705 120.200 0.095 0.000 2.200 97 E HA 0.424 4.774 4.350 -0.000 0.000 0.283 97 E C -0.944 175.588 176.600 -0.114 0.000 1.015 97 E CA -0.255 56.133 56.400 -0.021 0.000 0.819 97 E CB 1.522 31.212 29.700 -0.016 0.000 1.081 97 E HN 0.348 nan 8.360 nan 0.000 0.397 98 V N 1.719 121.420 119.914 -0.356 0.000 3.019 98 V HA 0.651 4.771 4.120 -0.000 0.000 0.317 98 V C 0.281 176.161 176.094 -0.356 0.000 1.094 98 V CA -0.842 61.078 62.300 -0.634 0.000 1.000 98 V CB 2.041 33.266 31.823 -0.996 0.000 1.060 98 V HN 0.861 nan 8.190 nan 0.000 0.443 99 T N 0.178 114.588 114.554 -0.239 0.000 2.923 99 T HA 0.646 4.996 4.350 -0.000 0.000 0.311 99 T C -0.991 173.741 174.700 0.054 0.000 1.183 99 T CA -0.644 61.438 62.100 -0.030 0.000 1.020 99 T CB 1.735 70.583 68.868 -0.032 0.000 1.165 99 T HN 0.455 nan 8.240 nan 0.000 0.482 100 M N 3.814 123.492 119.600 0.130 0.000 2.385 100 M HA 0.453 4.933 4.480 -0.000 0.000 0.346 100 M C -0.886 175.419 176.300 0.008 0.000 1.180 100 M CA -1.224 54.100 55.300 0.040 0.000 1.154 100 M CB -0.174 32.423 32.600 -0.004 0.000 1.251 100 M HN 0.626 nan 8.290 nan 0.000 0.430 101 V N 7.243 127.152 119.914 -0.007 0.000 2.493 101 V HA 0.123 4.243 4.120 -0.000 0.000 0.292 101 V C -1.796 174.294 176.094 -0.006 0.000 1.016 101 V CA -1.078 61.220 62.300 -0.002 0.000 1.097 101 V CB -0.341 31.481 31.823 -0.002 0.000 0.947 101 V HN 0.629 nan 8.190 nan 0.000 0.479 102 P HA -0.053 nan 4.420 nan 0.000 0.248 102 P C 1.066 178.365 177.300 -0.002 0.000 1.127 102 P CA 1.723 64.825 63.100 0.003 0.000 0.801 102 P CB -0.175 31.529 31.700 0.006 0.000 0.732 103 G N 3.015 111.812 108.800 -0.005 0.000 2.212 103 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.267 103 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.267 103 G C 0.933 175.827 174.900 -0.011 0.000 1.002 103 G CA 0.848 45.944 45.100 -0.007 0.000 0.729 103 G HN 0.495 nan 8.290 nan 0.000 0.517 104 K N -0.976 119.415 120.400 -0.015 0.000 2.491 104 K HA 0.516 4.836 4.320 -0.000 0.000 0.211 104 K C 1.345 177.938 176.600 -0.011 0.000 1.210 104 K CA 1.124 57.406 56.287 -0.009 0.000 1.003 104 K CB 1.024 33.522 32.500 -0.002 0.000 1.009 104 K HN 1.604 nan 8.250 nan 0.000 0.577 105 G N 1.636 110.415 108.800 -0.034 0.000 2.728 105 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.294 105 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.294 105 G C -2.791 172.084 174.900 -0.041 0.000 1.342 105 G CA -0.843 44.227 45.100 -0.050 0.000 0.866 105 G HN -0.060 nan 8.290 nan 0.000 0.534 106 P HA 0.479 nan 4.420 nan 0.000 0.271 106 P C -0.382 176.916 177.300 -0.004 0.000 1.216 106 P CA 0.231 63.308 63.100 -0.038 0.000 0.776 106 P CB 1.694 33.365 31.700 -0.047 0.000 0.881 107 S N 1.678 117.324 115.700 -0.091 0.000 2.540 107 S HA 0.664 5.134 4.470 -0.000 0.000 0.275 107 S C -1.618 172.843 174.600 -0.232 0.000 1.123 107 S CA -0.563 57.612 58.200 -0.041 0.000 0.907 107 S CB 0.358 63.559 63.200 0.002 0.000 1.081 107 S HN 0.138 nan 8.310 nan 0.000 0.476 108 F N 4.844 124.803 119.950 0.015 0.000 2.308 108 F HA 0.404 4.931 4.527 -0.000 0.000 0.370 108 F C -1.341 174.453 175.800 -0.009 0.000 1.100 108 F CA -1.882 56.111 58.000 -0.011 0.000 1.108 108 F CB 1.659 40.646 39.000 -0.020 0.000 1.293 108 F HN 0.427 nan 8.300 nan 0.000 0.478 109 P HA -0.121 nan 4.420 nan 0.000 0.226 109 P C -0.264 177.083 177.300 0.078 0.000 1.153 109 P CA 1.089 64.234 63.100 0.076 0.000 0.777 109 P CB 0.325 32.047 31.700 0.037 0.000 0.794 110 E N 0.993 121.253 120.200 0.100 0.000 2.916 110 E HA 0.259 4.609 4.350 -0.000 0.000 0.217 110 E C -2.370 174.264 176.600 0.056 0.000 1.100 110 E CA -2.135 54.305 56.400 0.068 0.000 0.891 110 E CB 0.446 30.177 29.700 0.052 0.000 1.311 110 E HN 0.318 nan 8.360 nan 0.000 0.421 111 P HA 0.042 nan 4.420 nan 0.000 0.272 111 P C -0.231 177.036 177.300 -0.055 0.000 1.230 111 P CA -0.355 62.714 63.100 -0.051 0.000 0.788 111 P CB 0.986 32.657 31.700 -0.048 0.000 0.949 112 L N 2.803 123.947 121.223 -0.132 0.000 2.418 112 L HA 0.151 4.491 4.340 -0.000 0.000 0.274 112 L C 1.706 178.608 176.870 0.054 0.000 1.135 112 L CA 0.045 54.850 54.840 -0.058 0.000 0.870 112 L CB 0.098 42.035 42.059 -0.204 0.000 1.154 112 L HN 0.343 nan 8.230 nan 0.000 0.462 113 R N 1.728 122.363 120.500 0.225 0.000 2.507 113 R HA 0.172 4.512 4.340 -0.000 0.000 0.230 113 R C 0.109 176.654 176.300 0.408 0.000 0.897 113 R CA 0.226 56.533 56.100 0.346 0.000 1.006 113 R CB 0.710 31.112 30.300 0.171 0.000 1.341 113 R HN 0.791 nan 8.270 nan 0.000 0.604 114 E N -0.598 119.777 120.200 0.292 0.000 2.410 114 E HA 0.249 4.599 4.350 -0.000 0.000 0.269 114 E C -0.059 176.583 176.600 0.070 0.000 0.937 114 E CA -0.665 55.778 56.400 0.072 0.000 0.793 114 E CB 1.483 31.181 29.700 -0.003 0.000 1.314 114 E HN -0.147 nan 8.360 nan 0.000 0.447 115 E N 0.339 120.458 120.200 -0.135 0.000 2.118 115 E HA -0.288 4.062 4.350 -0.000 0.000 0.195 115 E C 1.922 178.546 176.600 0.040 0.000 0.992 115 E CA 1.543 57.890 56.400 -0.088 0.000 0.804 115 E CB 0.108 29.717 29.700 -0.151 0.000 0.741 115 E HN 0.628 nan 8.360 nan 0.000 0.458 116 Q N 0.179 119.992 119.800 0.022 0.000 2.291 116 Q HA -0.182 4.158 4.340 -0.000 0.000 0.206 116 Q C 1.111 177.144 176.000 0.056 0.000 0.976 116 Q CA 1.512 57.335 55.803 0.032 0.000 0.875 116 Q CB 0.097 28.846 28.738 0.017 0.000 0.927 116 Q HN 0.284 nan 8.270 nan 0.000 0.450 117 D N 0.582 121.034 120.400 0.087 0.000 2.263 117 D HA -0.137 4.503 4.640 -0.000 0.000 0.208 117 D C 1.750 178.096 176.300 0.077 0.000 0.971 117 D CA 0.698 54.749 54.000 0.086 0.000 0.867 117 D CB -0.092 40.778 40.800 0.116 0.000 0.929 117 D HN 0.366 nan 8.370 nan 0.000 0.492 118 L N 0.691 121.977 121.223 0.105 0.000 2.261 118 L HA -0.146 4.194 4.340 -0.000 0.000 0.216 118 L C 2.072 178.971 176.870 0.048 0.000 1.114 118 L CA 0.943 55.831 54.840 0.080 0.000 0.777 118 L CB -0.424 41.698 42.059 0.106 0.000 0.910 118 L HN 0.020 nan 8.230 nan 0.000 0.440 119 E N 0.403 120.629 120.200 0.044 0.000 2.265 119 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 119 E C 2.147 178.761 176.600 0.023 0.000 0.996 119 E CA 0.857 57.276 56.400 0.031 0.000 0.832 119 E CB -0.026 29.690 29.700 0.028 0.000 0.756 119 E HN 0.550 nan 8.360 nan 0.000 0.491 120 R N 0.729 121.242 120.500 0.022 0.000 2.193 120 R HA 0.010 4.350 4.340 -0.000 0.000 0.213 120 R C 0.683 176.988 176.300 0.008 0.000 1.055 120 R CA 0.221 56.330 56.100 0.014 0.000 0.995 120 R CB -0.265 30.043 30.300 0.014 0.000 0.893 120 R HN -0.007 nan 8.270 nan 0.000 0.459 121 L N 2.432 123.659 121.223 0.007 0.000 2.439 121 L HA 0.236 4.576 4.340 -0.000 0.000 0.269 121 L C 0.566 177.439 176.870 0.004 0.000 1.179 121 L CA -0.627 54.212 54.840 -0.001 0.000 0.828 121 L CB 0.575 42.631 42.059 -0.005 0.000 1.106 121 L HN 0.181 nan 8.230 nan 0.000 0.467 122 R N 0.889 121.389 120.500 0.000 0.000 2.784 122 R HA 0.002 4.342 4.340 -0.000 0.000 0.266 122 R C -0.112 176.193 176.300 0.010 0.000 1.044 122 R CA -0.532 55.571 56.100 0.004 0.000 1.151 122 R CB 0.291 30.590 30.300 -0.001 0.000 1.037 122 R HN 0.542 nan 8.270 nan 0.000 0.478 123 D N 2.606 123.015 120.400 0.015 0.000 2.493 123 D HA -0.025 4.615 4.640 -0.000 0.000 0.240 123 D C -1.348 174.965 176.300 0.022 0.000 1.142 123 D CA -1.436 52.577 54.000 0.021 0.000 0.872 123 D CB 1.082 41.896 40.800 0.024 0.000 1.173 123 D HN 0.253 nan 8.370 nan 0.000 0.467 124 P HA -0.139 nan 4.420 nan 0.000 0.219 124 P C 0.763 178.087 177.300 0.040 0.000 1.146 124 P CA 1.001 64.120 63.100 0.031 0.000 0.808 124 P CB 0.279 32.003 31.700 0.041 0.000 0.779 125 E N -0.131 120.095 120.200 0.043 0.000 2.333 125 E HA -0.079 4.271 4.350 -0.000 0.000 0.198 125 E C 1.721 178.350 176.600 0.047 0.000 1.007 125 E CA 1.006 57.435 56.400 0.049 0.000 0.845 125 E CB -0.222 29.504 29.700 0.043 0.000 0.766 125 E HN 0.255 nan 8.360 nan 0.000 0.507 126 V N -3.276 116.660 119.914 0.036 0.000 3.650 126 V HA 0.040 4.160 4.120 -0.000 0.000 0.271 126 V C 1.855 177.964 176.094 0.024 0.000 1.281 126 V CA 0.130 62.450 62.300 0.033 0.000 1.120 126 V CB 0.291 32.129 31.823 0.025 0.000 0.856 126 V HN -0.031 nan 8.190 nan 0.000 0.443 127 V N 1.629 121.551 119.914 0.015 0.000 2.343 127 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 127 V C 3.148 179.223 176.094 -0.032 0.000 1.051 127 V CA 2.433 64.716 62.300 -0.028 0.000 1.036 127 V CB -1.148 30.645 31.823 -0.050 0.000 0.654 127 V HN 0.670 nan 8.190 nan 0.000 0.451 128 A N 0.763 123.624 122.820 0.067 0.000 1.940 128 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 128 A C 2.534 180.199 177.584 0.134 0.000 1.176 128 A CA 2.360 54.510 52.037 0.189 0.000 0.631 128 A CB -0.755 18.441 19.000 0.327 0.000 0.814 128 A HN 0.713 nan 8.150 nan 0.000 0.446 129 S N -0.466 115.292 115.700 0.096 0.000 2.423 129 S HA -0.111 4.359 4.470 -0.000 0.000 0.231 129 S C 1.411 176.021 174.600 0.016 0.000 1.014 129 S CA 1.227 59.474 58.200 0.079 0.000 0.965 129 S CB -0.261 62.980 63.200 0.069 0.000 0.785 129 S HN 0.540 nan 8.310 nan 0.000 0.495 130 E N 1.084 121.268 120.200 -0.027 0.000 2.427 130 E HA 0.186 4.536 4.350 -0.000 0.000 0.196 130 E C 1.163 177.698 176.600 -0.108 0.000 1.028 130 E CA 0.384 56.763 56.400 -0.035 0.000 0.864 130 E CB -0.111 29.566 29.700 -0.039 0.000 0.813 130 E HN 0.592 nan 8.360 nan 0.000 0.514 131 L N -0.123 120.904 121.223 -0.326 0.000 2.872 131 L HA 0.253 4.593 4.340 -0.000 0.000 0.245 131 L C 1.867 178.145 176.870 -0.986 0.000 1.211 131 L CA -0.176 54.211 54.840 -0.754 0.000 1.013 131 L CB 0.302 41.852 42.059 -0.848 0.000 1.326 131 L HN 0.044 nan 8.230 nan 0.000 0.525 132 G N 1.096 109.616 108.800 -0.466 0.000 2.505 132 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.220 132 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.220 132 G C 1.347 176.161 174.900 -0.143 0.000 1.145 132 G CA 1.597 46.582 45.100 -0.192 0.000 0.761 132 G HN 0.623 nan 8.290 nan 0.000 0.571 133 Y N 0.253 120.477 120.300 -0.128 0.000 2.274 133 Y HA 0.018 4.568 4.550 -0.000 0.000 0.290 133 Y C 2.450 178.315 175.900 -0.059 0.000 1.145 133 Y CA 0.981 59.042 58.100 -0.065 0.000 1.203 133 Y CB -0.794 37.634 38.460 -0.053 0.000 0.984 133 Y HN 0.030 nan 8.280 nan 0.000 0.533 134 V N 0.622 120.164 119.914 -0.620 0.000 2.427 134 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 134 V C 2.229 178.298 176.094 -0.042 0.000 1.051 134 V CA 1.876 63.981 62.300 -0.325 0.000 1.048 134 V CB -0.984 30.594 31.823 -0.407 0.000 0.666 134 V HN 0.507 nan 8.190 nan 0.000 0.456 135 F N -0.028 119.901 119.950 -0.035 0.000 2.186 135 F HA -0.180 4.347 4.527 -0.000 0.000 0.299 135 F C 2.691 178.514 175.800 0.038 0.000 1.090 135 F CA 1.037 59.039 58.000 0.003 0.000 1.307 135 F CB -0.252 38.758 39.000 0.017 0.000 1.019 135 F HN 0.144 nan 8.300 nan 0.000 0.489 136 Q N 0.439 120.367 119.800 0.213 0.000 2.119 136 Q HA -0.145 4.195 4.340 -0.000 0.000 0.201 136 Q C 2.532 178.616 176.000 0.140 0.000 0.972 136 Q CA 1.190 57.093 55.803 0.167 0.000 0.847 136 Q CB -0.303 28.521 28.738 0.143 0.000 0.903 136 Q HN 0.438 nan 8.270 nan 0.000 0.433 137 A N 0.895 123.794 122.820 0.132 0.000 1.902 137 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 137 A C 2.008 179.655 177.584 0.105 0.000 1.181 137 A CA 1.054 53.162 52.037 0.119 0.000 0.623 137 A CB -0.560 18.519 19.000 0.132 0.000 0.818 137 A HN 0.288 nan 8.150 nan 0.000 0.443 138 I N -0.564 120.071 120.570 0.108 0.000 2.179 138 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 138 I C 2.633 178.777 176.117 0.046 0.000 1.088 138 I CA 1.818 63.160 61.300 0.070 0.000 1.357 138 I CB -0.620 37.426 38.000 0.077 0.000 1.051 138 I HN 0.263 nan 8.210 nan 0.000 0.409 139 T N 1.214 115.837 114.554 0.115 0.000 2.708 139 T HA -0.191 4.159 4.350 -0.000 0.000 0.266 139 T C 1.849 176.655 174.700 0.177 0.000 1.037 139 T CA 1.374 63.590 62.100 0.194 0.000 1.146 139 T CB -0.378 68.640 68.868 0.251 0.000 0.865 139 T HN 0.171 nan 8.240 nan 0.000 0.435 140 L N 1.120 122.422 121.223 0.131 0.000 2.017 140 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 140 L C 2.476 179.393 176.870 0.078 0.000 1.073 140 L CA 1.905 56.809 54.840 0.106 0.000 0.745 140 L CB -1.229 40.881 42.059 0.086 0.000 0.894 140 L HN 0.191 nan 8.230 nan 0.000 0.432 141 T N -0.825 113.763 114.554 0.057 0.000 2.777 141 T HA -0.199 4.151 4.350 -0.000 0.000 0.266 141 T C 1.973 176.672 174.700 -0.002 0.000 1.040 141 T CA 1.529 63.649 62.100 0.032 0.000 1.141 141 T CB -0.245 68.646 68.868 0.037 0.000 0.868 141 T HN 0.281 nan 8.240 nan 0.000 0.444 142 R N 1.255 121.723 120.500 -0.053 0.000 2.081 142 R HA -0.053 4.287 4.340 -0.000 0.000 0.235 142 R C 2.385 178.678 176.300 -0.011 0.000 1.131 142 R CA 1.517 57.523 56.100 -0.156 0.000 0.960 142 R CB -0.318 29.668 30.300 -0.523 0.000 0.856 142 R HN 0.458 nan 8.270 nan 0.000 0.436 143 Q N -0.472 119.401 119.800 0.122 0.000 2.050 143 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 143 Q C 2.143 178.199 176.000 0.093 0.000 0.980 143 Q CA 1.422 57.334 55.803 0.181 0.000 0.840 143 Q CB -0.089 28.761 28.738 0.187 0.000 0.898 143 Q HN 0.217 nan 8.270 nan 0.000 0.424 144 R N 0.435 120.973 120.500 0.064 0.000 2.115 144 R HA -0.016 4.324 4.340 -0.000 0.000 0.226 144 R C 2.212 178.530 176.300 0.031 0.000 1.100 144 R CA 0.701 56.827 56.100 0.043 0.000 0.980 144 R CB -0.389 29.932 30.300 0.035 0.000 0.875 144 R HN 0.321 nan 8.270 nan 0.000 0.445 145 L N 0.458 121.694 121.223 0.022 0.000 2.201 145 L HA -0.050 4.290 4.340 -0.000 0.000 0.212 145 L C 1.036 177.918 176.870 0.020 0.000 1.105 145 L CA 0.876 55.723 54.840 0.012 0.000 0.775 145 L CB -0.322 41.732 42.059 -0.008 0.000 0.913 145 L HN 0.229 nan 8.230 nan 0.000 0.440 146 A N -0.113 122.728 122.820 0.034 0.000 2.822 146 A HA -0.164 4.156 4.320 -0.000 0.000 0.287 146 A C 1.308 178.915 177.584 0.039 0.000 1.479 146 A CA 0.822 52.885 52.037 0.044 0.000 0.779 146 A CB -2.103 16.918 19.000 0.036 0.000 1.022 146 A HN 0.986 nan 8.150 nan 0.000 0.532 147 G N -1.662 107.157 108.800 0.032 0.000 2.159 147 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.256 147 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.256 147 G C 0.840 175.755 174.900 0.025 0.000 0.977 147 G CA 1.409 46.527 45.100 0.030 0.000 0.652 147 G HN 1.423 nan 8.290 nan 0.000 0.531 148 R N 0.085 120.597 120.500 0.020 0.000 2.080 148 R HA 0.167 4.507 4.340 -0.000 0.000 0.236 148 R C 1.345 177.661 176.300 0.027 0.000 1.137 148 R CA 2.468 58.581 56.100 0.023 0.000 0.943 148 R CB -0.176 30.137 30.300 0.021 0.000 0.846 148 R HN 1.090 nan 8.270 nan 0.000 0.431 149 V N -3.830 116.090 119.914 0.010 0.000 3.206 149 V HA 0.558 4.678 4.120 -0.000 0.000 0.305 149 V C -2.842 173.232 176.094 -0.034 0.000 1.257 149 V CA -2.816 59.486 62.300 0.002 0.000 1.057 149 V CB 1.718 33.535 31.823 -0.009 0.000 1.075 149 V HN 0.001 nan 8.190 nan 0.000 0.443 150 P HA 0.418 nan 4.420 nan 0.000 0.272 150 P C -1.040 176.158 177.300 -0.169 0.000 1.223 150 P CA -0.130 62.931 63.100 -0.065 0.000 0.784 150 P CB 0.540 32.262 31.700 0.036 0.000 0.923 151 L N 3.277 124.413 121.223 -0.146 0.000 2.305 151 L HA 0.452 4.792 4.340 -0.000 0.000 0.284 151 L C -0.846 175.930 176.870 -0.157 0.000 1.013 151 L CA -0.391 54.352 54.840 -0.163 0.000 0.819 151 L CB 0.312 42.295 42.059 -0.127 0.000 1.227 151 L HN 0.213 nan 8.230 nan 0.000 0.417 152 I N 5.147 125.586 120.570 -0.219 0.000 2.342 152 I HA 0.475 4.645 4.170 -0.000 0.000 0.291 152 I C 0.977 177.094 176.117 0.001 0.000 1.010 152 I CA -0.229 60.971 61.300 -0.167 0.000 1.308 152 I CB 1.248 39.001 38.000 -0.411 0.000 1.400 152 I HN 0.759 nan 8.210 nan 0.000 0.488 153 G N 5.422 114.252 108.800 0.050 0.000 2.511 153 G HA2 0.746 4.706 3.960 -0.000 0.000 0.316 153 G HA3 0.746 4.706 3.960 -0.000 0.000 0.316 153 G C -1.007 174.053 174.900 0.267 0.000 1.210 153 G CA -0.335 44.828 45.100 0.105 0.000 0.969 153 G HN 0.642 nan 8.290 nan 0.000 0.492 154 F N -2.274 117.713 119.950 0.062 0.000 2.741 154 F HA 0.817 5.344 4.527 -0.000 0.000 0.311 154 F C -0.593 175.331 175.800 0.206 0.000 1.149 154 F CA -1.046 57.073 58.000 0.199 0.000 0.930 154 F CB 1.160 40.415 39.000 0.425 0.000 1.312 154 F HN 1.012 nan 8.300 nan 0.000 0.450 155 A N 0.594 123.669 122.820 0.425 0.000 2.610 155 A HA 0.790 5.110 4.320 -0.000 0.000 0.291 155 A C -0.629 177.265 177.584 0.517 0.000 1.086 155 A CA -0.540 51.706 52.037 0.349 0.000 0.677 155 A CB 0.895 20.076 19.000 0.303 0.000 1.278 155 A HN 1.843 nan 8.150 nan 0.000 0.414 156 G N -0.112 108.924 108.800 0.392 0.000 2.467 156 G HA2 0.641 4.601 3.960 -0.000 0.000 0.257 156 G HA3 0.641 4.601 3.960 -0.000 0.000 0.257 156 G C 0.385 175.463 174.900 0.297 0.000 1.227 156 G CA 0.433 45.748 45.100 0.357 0.000 0.835 156 G HN 1.709 nan 8.290 nan 0.000 0.556 157 A N 3.135 126.125 122.820 0.283 0.000 2.332 157 A HA 0.589 4.909 4.320 -0.000 0.000 0.258 157 A C -0.901 176.804 177.584 0.202 0.000 1.087 157 A CA -1.036 51.145 52.037 0.240 0.000 0.802 157 A CB 0.736 19.875 19.000 0.231 0.000 1.042 157 A HN 0.451 nan 8.150 nan 0.000 0.489 158 P HA -0.194 nan 4.420 nan 0.000 0.214 158 P C 1.586 178.966 177.300 0.134 0.000 1.163 158 P CA 1.746 64.922 63.100 0.127 0.000 0.889 158 P CB -0.194 31.572 31.700 0.109 0.000 0.790 159 W N 0.137 121.458 121.300 0.034 0.000 2.335 159 W HA -0.186 4.474 4.660 -0.000 0.000 0.311 159 W C 1.478 178.031 176.519 0.057 0.000 1.213 159 W CA 1.864 59.218 57.345 0.016 0.000 1.274 159 W CB -1.189 28.285 29.460 0.024 0.000 1.148 159 W HN -0.070 nan 8.180 nan 0.000 0.498 160 T N 2.408 116.885 114.554 -0.128 0.000 2.720 160 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 160 T C 1.985 176.662 174.700 -0.038 0.000 1.037 160 T CA 2.003 64.002 62.100 -0.167 0.000 1.144 160 T CB -0.577 68.351 68.868 0.099 0.000 0.864 160 T HN 0.154 nan 8.240 nan 0.000 0.444 161 L N 0.477 121.725 121.223 0.043 0.000 2.083 161 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 161 L C 2.648 179.456 176.870 -0.104 0.000 1.083 161 L CA 1.283 56.164 54.840 0.070 0.000 0.752 161 L CB -0.555 41.538 42.059 0.057 0.000 0.899 161 L HN 0.345 nan 8.230 nan 0.000 0.433 162 M N 0.175 119.639 119.600 -0.226 0.000 2.108 162 M HA -0.230 4.250 4.480 -0.000 0.000 0.261 162 M C 2.410 178.395 176.300 -0.525 0.000 1.066 162 M CA 2.460 57.541 55.300 -0.365 0.000 1.107 162 M CB -0.260 32.164 32.600 -0.293 0.000 1.356 162 M HN 0.414 nan 8.290 nan 0.000 0.406 163 T N -1.732 112.396 114.554 -0.710 0.000 2.746 163 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 163 T C 1.519 175.895 174.700 -0.540 0.000 1.039 163 T CA 1.587 63.224 62.100 -0.772 0.000 1.142 163 T CB -1.148 67.137 68.868 -0.972 0.000 0.866 163 T HN 0.582 nan 8.240 nan 0.000 0.444 164 Y N 1.268 121.388 120.300 -0.300 0.000 2.242 164 Y HA 0.125 4.675 4.550 -0.000 0.000 0.291 164 Y C 2.798 178.434 175.900 -0.439 0.000 1.137 164 Y CA 1.200 59.196 58.100 -0.174 0.000 1.181 164 Y CB -0.449 38.046 38.460 0.059 0.000 0.989 164 Y HN 0.167 nan 8.280 nan 0.000 0.527 165 M N -1.446 117.877 119.600 -0.462 0.000 2.254 165 M HA -0.160 4.320 4.480 -0.000 0.000 0.265 165 M C 1.794 177.770 176.300 -0.539 0.000 1.066 165 M CA 1.021 55.896 55.300 -0.709 0.000 1.123 165 M CB -0.196 32.068 32.600 -0.562 0.000 1.388 165 M HN 0.082 nan 8.290 nan 0.000 0.425 166 V N -0.532 119.077 119.914 -0.508 0.000 2.492 166 V HA -0.080 4.040 4.120 -0.000 0.000 0.241 166 V C 2.206 178.124 176.094 -0.295 0.000 1.041 166 V CA 1.225 63.231 62.300 -0.489 0.000 1.057 166 V CB -0.393 30.982 31.823 -0.747 0.000 0.711 166 V HN 0.323 nan 8.190 nan 0.000 0.468 167 E N 0.436 120.470 120.200 -0.276 0.000 2.152 167 E HA -0.004 4.346 4.350 -0.000 0.000 0.192 167 E C 1.918 178.475 176.600 -0.072 0.000 0.983 167 E CA 1.072 57.368 56.400 -0.174 0.000 0.818 167 E CB -0.177 29.387 29.700 -0.225 0.000 0.758 167 E HN 0.653 nan 8.360 nan 0.000 0.467 168 G N 0.373 109.159 108.800 -0.025 0.000 2.157 168 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.248 168 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.248 168 G C 0.532 175.607 174.900 0.291 0.000 0.979 168 G CA 0.584 45.782 45.100 0.164 0.000 0.650 168 G HN 0.752 nan 8.290 nan 0.000 0.529 169 G N -1.773 107.171 108.800 0.240 0.000 2.344 169 G HA2 0.638 4.598 3.960 -0.000 0.000 0.282 169 G HA3 0.638 4.598 3.960 -0.000 0.000 0.282 169 G C 0.329 175.262 174.900 0.054 0.000 1.281 169 G CA 0.657 45.911 45.100 0.256 0.000 0.877 169 G HN 1.699 nan 8.290 nan 0.000 0.494 170 G N -0.853 107.981 108.800 0.056 0.000 2.606 170 G HA2 0.600 4.560 3.960 -0.000 0.000 0.252 170 G HA3 0.600 4.560 3.960 -0.000 0.000 0.252 170 G C 0.040 174.868 174.900 -0.120 0.000 1.206 170 G CA 1.027 46.079 45.100 -0.080 0.000 0.861 170 G HN 1.652 nan 8.290 nan 0.000 0.561 171 S N -1.832 113.765 115.700 -0.171 0.000 2.537 171 S HA 0.407 4.877 4.470 -0.000 0.000 0.271 171 S C 0.923 175.432 174.600 -0.153 0.000 1.148 171 S CA 0.265 58.373 58.200 -0.153 0.000 0.868 171 S CB 1.336 64.413 63.200 -0.205 0.000 1.115 171 S HN 1.275 nan 8.310 nan 0.000 0.461 172 S N 1.664 117.289 115.700 -0.124 0.000 2.527 172 S HA 0.031 4.500 4.470 -0.000 0.000 0.222 172 S C 1.287 175.715 174.600 -0.287 0.000 0.985 172 S CA 1.271 59.394 58.200 -0.129 0.000 0.921 172 S CB -0.467 62.702 63.200 -0.053 0.000 0.772 172 S HN 1.052 nan 8.310 nan 0.000 0.529 173 T N -3.078 111.293 114.554 -0.304 0.000 2.966 173 T HA 0.318 4.668 4.350 -0.000 0.000 0.254 173 T C 0.646 175.175 174.700 -0.286 0.000 0.961 173 T CA 0.085 62.005 62.100 -0.299 0.000 0.915 173 T CB -0.106 68.685 68.868 -0.128 0.000 1.186 173 T HN 0.134 nan 8.240 nan 0.000 0.505 174 M N 0.906 120.354 119.600 -0.252 0.000 2.393 174 M HA -0.200 4.280 4.480 -0.000 0.000 0.201 174 M C 1.294 177.590 176.300 -0.007 0.000 0.403 174 M CA 0.713 55.945 55.300 -0.113 0.000 0.471 174 M CB -2.495 30.145 32.600 0.066 0.000 1.669 174 M HN 0.628 nan 8.290 nan 0.000 0.864 175 A N -0.508 122.296 122.820 -0.028 0.000 1.969 175 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 175 A C 2.033 179.651 177.584 0.056 0.000 1.169 175 A CA 1.756 53.806 52.037 0.022 0.000 0.635 175 A CB -0.153 18.846 19.000 -0.001 0.000 0.810 175 A HN 0.745 nan 8.150 nan 0.000 0.445 176 Q N -0.774 119.041 119.800 0.025 0.000 2.137 176 Q HA 0.052 4.392 4.340 -0.000 0.000 0.198 176 Q C 2.394 178.449 176.000 0.092 0.000 0.960 176 Q CA 1.036 56.877 55.803 0.063 0.000 0.847 176 Q CB -0.285 28.462 28.738 0.016 0.000 0.915 176 Q HN 0.649 nan 8.270 nan 0.000 0.448 177 A N 1.648 124.463 122.820 -0.010 0.000 1.930 177 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 177 A C 1.890 179.613 177.584 0.233 0.000 1.175 177 A CA 1.272 53.297 52.037 -0.020 0.000 0.627 177 A CB -0.184 18.699 19.000 -0.195 0.000 0.815 177 A HN 0.139 nan 8.150 nan 0.000 0.443 178 K N -0.809 119.743 120.400 0.254 0.000 2.155 178 K HA -0.082 4.238 4.320 -0.000 0.000 0.203 178 K C 2.272 178.991 176.600 0.198 0.000 1.052 178 K CA 1.196 57.595 56.287 0.186 0.000 0.948 178 K CB -0.111 32.511 32.500 0.204 0.000 0.728 178 K HN 0.436 nan 8.250 nan 0.000 0.448 179 R N 0.134 120.767 120.500 0.222 0.000 2.081 179 R HA -0.171 4.169 4.340 -0.000 0.000 0.235 179 R C 1.680 178.106 176.300 0.209 0.000 1.131 179 R CA 1.563 57.793 56.100 0.216 0.000 0.960 179 R CB -0.173 30.227 30.300 0.166 0.000 0.856 179 R HN 0.223 nan 8.270 nan 0.000 0.436 180 W N 0.914 122.195 121.300 -0.032 0.000 2.338 180 W HA -0.149 4.511 4.660 -0.000 0.000 0.304 180 W C 1.887 178.278 176.519 -0.213 0.000 1.212 180 W CA 1.227 58.518 57.345 -0.090 0.000 1.264 180 W CB -0.540 28.865 29.460 -0.091 0.000 1.142 180 W HN 0.104 nan 8.180 nan 0.000 0.512 181 L N -1.804 119.340 121.223 -0.131 0.000 2.079 181 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 181 L C 2.078 178.673 176.870 -0.458 0.000 1.081 181 L CA 1.532 55.947 54.840 -0.709 0.000 0.752 181 L CB -1.060 40.371 42.059 -1.048 0.000 0.896 181 L HN 0.071 nan 8.230 nan 0.000 0.433 182 Y N -0.680 119.551 120.300 -0.116 0.000 2.301 182 Y HA -0.081 4.469 4.550 -0.000 0.000 0.295 182 Y C 2.730 178.616 175.900 -0.024 0.000 1.119 182 Y CA 0.632 58.713 58.100 -0.032 0.000 1.162 182 Y CB 0.168 38.618 38.460 -0.017 0.000 1.046 182 Y HN 0.119 nan 8.280 nan 0.000 0.538 183 Q N -0.058 119.806 119.800 0.106 0.000 2.339 183 Q HA 0.081 4.421 4.340 -0.000 0.000 0.205 183 Q C 0.286 176.244 176.000 -0.070 0.000 0.925 183 Q CA 0.622 56.430 55.803 0.010 0.000 0.898 183 Q CB 0.372 29.096 28.738 -0.023 0.000 1.013 183 Q HN 0.354 nan 8.270 nan 0.000 0.504 184 R N 0.448 120.876 120.500 -0.119 0.000 2.795 184 R HA 0.179 4.519 4.340 -0.000 0.000 0.320 184 R C -2.133 174.119 176.300 -0.080 0.000 1.223 184 R CA -1.141 54.844 56.100 -0.193 0.000 1.305 184 R CB 0.654 30.640 30.300 -0.524 0.000 1.318 184 R HN 0.037 nan 8.270 nan 0.000 0.636 185 P HA -0.218 nan 4.420 nan 0.000 0.216 185 P C 0.787 178.205 177.300 0.196 0.000 1.150 185 P CA 1.387 64.566 63.100 0.130 0.000 0.837 185 P CB 0.411 32.273 31.700 0.270 0.000 0.786 186 Q N -0.099 119.801 119.800 0.168 0.000 2.046 186 Q HA -0.059 4.281 4.340 -0.000 0.000 0.200 186 Q C 2.451 178.555 176.000 0.173 0.000 0.975 186 Q CA 1.675 57.600 55.803 0.203 0.000 0.836 186 Q CB -0.760 28.053 28.738 0.125 0.000 0.896 186 Q HN 0.182 nan 8.270 nan 0.000 0.428 187 A N 0.613 123.480 122.820 0.078 0.000 1.969 187 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 187 A C 2.237 179.976 177.584 0.257 0.000 1.169 187 A CA 1.529 53.624 52.037 0.098 0.000 0.635 187 A CB -0.412 18.529 19.000 -0.099 0.000 0.810 187 A HN 0.240 nan 8.150 nan 0.000 0.445 188 S N -0.678 115.166 115.700 0.239 0.000 2.348 188 S HA -0.154 4.316 4.470 -0.000 0.000 0.221 188 S C 1.915 176.612 174.600 0.162 0.000 1.033 188 S CA 1.228 59.561 58.200 0.223 0.000 1.010 188 S CB -0.593 62.580 63.200 -0.045 0.000 0.891 188 S HN 0.709 nan 8.310 nan 0.000 0.442 189 H N 1.308 120.565 119.070 0.312 0.000 2.387 189 H HA -0.086 4.470 4.556 -0.000 0.000 0.299 189 H C 2.382 177.794 175.328 0.139 0.000 1.099 189 H CA 1.611 57.823 56.048 0.272 0.000 1.315 189 H CB -0.487 29.454 29.762 0.298 0.000 1.380 189 H HN 0.496 nan 8.280 nan 0.000 0.513 190 Q N 0.166 120.115 119.800 0.249 0.000 2.050 190 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 190 Q C 2.380 178.439 176.000 0.099 0.000 0.980 190 Q CA 1.197 57.097 55.803 0.161 0.000 0.840 190 Q CB -0.091 28.734 28.738 0.144 0.000 0.898 190 Q HN 0.245 nan 8.270 nan 0.000 0.424 191 L N 0.840 122.125 121.223 0.103 0.000 1.990 191 L HA -0.209 4.131 4.340 -0.000 0.000 0.213 191 L C 2.099 178.929 176.870 -0.066 0.000 1.072 191 L CA 1.757 56.612 54.840 0.024 0.000 0.755 191 L CB -0.697 41.373 42.059 0.018 0.000 0.889 191 L HN 0.327 nan 8.230 nan 0.000 0.432 192 L N -0.982 120.151 121.223 -0.150 0.000 2.131 192 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 192 L C 2.705 179.301 176.870 -0.457 0.000 1.092 192 L CA 1.246 55.828 54.840 -0.430 0.000 0.759 192 L CB -0.528 41.032 42.059 -0.832 0.000 0.903 192 L HN 0.283 nan 8.230 nan 0.000 0.435 193 R N 0.912 121.292 120.500 -0.200 0.000 2.073 193 R HA -0.077 4.263 4.340 -0.000 0.000 0.229 193 R C 2.066 178.393 176.300 0.045 0.000 1.120 193 R CA 1.455 57.580 56.100 0.042 0.000 0.967 193 R CB -0.574 29.825 30.300 0.166 0.000 0.862 193 R HN 0.225 nan 8.270 nan 0.000 0.436 194 I N 0.323 120.906 120.570 0.022 0.000 2.151 194 I HA -0.338 3.832 4.170 -0.000 0.000 0.243 194 I C 2.091 178.219 176.117 0.019 0.000 1.080 194 I CA 1.455 62.769 61.300 0.024 0.000 1.339 194 I CB -0.307 37.702 38.000 0.014 0.000 1.039 194 I HN 0.167 nan 8.210 nan 0.000 0.409 195 L N -0.170 121.048 121.223 -0.009 0.000 2.017 195 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 195 L C 2.640 179.547 176.870 0.062 0.000 1.073 195 L CA 1.699 56.544 54.840 0.009 0.000 0.745 195 L CB -0.848 41.199 42.059 -0.020 0.000 0.894 195 L HN 0.260 nan 8.230 nan 0.000 0.432 196 T N -1.080 113.519 114.554 0.076 0.000 2.746 196 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 196 T C 1.398 176.177 174.700 0.132 0.000 1.039 196 T CA 1.537 63.725 62.100 0.146 0.000 1.142 196 T CB -0.243 68.764 68.868 0.232 0.000 0.866 196 T HN 0.298 nan 8.240 nan 0.000 0.444 197 D N 0.933 121.398 120.400 0.108 0.000 2.269 197 D HA 0.106 4.746 4.640 -0.000 0.000 0.208 197 D C 2.126 178.480 176.300 0.090 0.000 0.963 197 D CA 0.720 54.778 54.000 0.095 0.000 0.864 197 D CB -0.217 40.631 40.800 0.080 0.000 0.936 197 D HN 0.423 nan 8.370 nan 0.000 0.505 198 A N 0.142 123.012 122.820 0.083 0.000 1.935 198 A HA 0.033 4.353 4.320 -0.000 0.000 0.214 198 A C 2.243 179.909 177.584 0.137 0.000 1.178 198 A CA 0.348 52.433 52.037 0.080 0.000 0.640 198 A CB -0.484 18.536 19.000 0.034 0.000 0.825 198 A HN 0.156 nan 8.150 nan 0.000 0.447 199 L N -0.477 120.840 121.223 0.156 0.000 2.093 199 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 199 L C 2.500 179.502 176.870 0.220 0.000 1.085 199 L CA 0.760 55.737 54.840 0.230 0.000 0.755 199 L CB -0.392 41.792 42.059 0.209 0.000 0.904 199 L HN 0.237 nan 8.230 nan 0.000 0.435 200 V N 0.575 120.586 119.914 0.163 0.000 2.237 200 V HA -0.169 3.951 4.120 -0.000 0.000 0.245 200 V C -0.253 175.915 176.094 0.123 0.000 1.046 200 V CA 2.166 64.542 62.300 0.126 0.000 1.007 200 V CB -1.700 30.184 31.823 0.102 0.000 0.638 200 V HN 0.360 nan 8.190 nan 0.000 0.445 201 P HA -0.201 nan 4.420 nan 0.000 0.218 201 P C 1.519 178.959 177.300 0.235 0.000 1.149 201 P CA 1.628 64.811 63.100 0.139 0.000 0.817 201 P CB -0.167 31.610 31.700 0.129 0.000 0.785 202 Y N 1.256 121.641 120.300 0.142 0.000 2.133 202 Y HA -0.137 4.413 4.550 -0.000 0.000 0.287 202 Y C 2.325 178.346 175.900 0.202 0.000 1.134 202 Y CA 1.196 59.431 58.100 0.225 0.000 1.133 202 Y CB -1.353 37.175 38.460 0.112 0.000 0.987 202 Y HN -0.246 nan 8.280 nan 0.000 0.502 203 L N -1.078 120.143 121.223 -0.003 0.000 2.042 203 L HA -0.237 4.102 4.340 -0.000 0.000 0.210 203 L C 2.442 179.256 176.870 -0.093 0.000 1.076 203 L CA 1.309 56.070 54.840 -0.131 0.000 0.749 203 L CB -0.889 41.162 42.059 -0.013 0.000 0.893 203 L HN 0.096 nan 8.230 nan 0.000 0.432 204 V N 0.283 120.172 119.914 -0.042 0.000 2.287 204 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 204 V C 2.613 178.605 176.094 -0.170 0.000 1.053 204 V CA 2.133 64.392 62.300 -0.069 0.000 1.027 204 V CB -1.295 30.511 31.823 -0.029 0.000 0.646 204 V HN 0.594 nan 8.190 nan 0.000 0.447 205 G N -1.493 107.155 108.800 -0.254 0.000 2.432 205 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.219 205 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.219 205 G C 1.487 175.899 174.900 -0.813 0.000 1.135 205 G CA 0.652 45.300 45.100 -0.753 0.000 0.767 205 G HN 0.548 nan 8.290 nan 0.000 0.550 206 Q N -0.293 119.306 119.800 -0.335 0.000 2.084 206 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 206 Q C 2.841 178.757 176.000 -0.142 0.000 0.978 206 Q CA 1.296 57.014 55.803 -0.142 0.000 0.844 206 Q CB -0.180 28.457 28.738 -0.169 0.000 0.898 206 Q HN 0.423 nan 8.270 nan 0.000 0.426 207 V N 0.082 119.913 119.914 -0.139 0.000 2.307 207 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 207 V C 2.272 178.319 176.094 -0.078 0.000 1.045 207 V CA 1.267 63.515 62.300 -0.086 0.000 1.024 207 V CB -0.437 31.354 31.823 -0.054 0.000 0.651 207 V HN 0.170 nan 8.190 nan 0.000 0.449 208 V N 0.633 120.472 119.914 -0.125 0.000 2.324 208 V HA -0.317 3.803 4.120 -0.000 0.000 0.250 208 V C 2.573 178.645 176.094 -0.036 0.000 1.060 208 V CA 2.229 64.471 62.300 -0.097 0.000 1.042 208 V CB -1.102 30.616 31.823 -0.176 0.000 0.650 208 V HN 0.584 nan 8.190 nan 0.000 0.450 209 A N -1.290 121.471 122.820 -0.098 0.000 2.167 209 A HA 0.367 4.687 4.320 -0.000 0.000 0.214 209 A C 1.921 179.546 177.584 0.069 0.000 1.151 209 A CA 1.380 53.433 52.037 0.026 0.000 0.735 209 A CB -0.161 18.852 19.000 0.021 0.000 0.802 209 A HN 1.088 nan 8.150 nan 0.000 0.467 210 G N -2.641 106.128 108.800 -0.051 0.000 2.425 210 G HA2 0.239 4.199 3.960 -0.000 0.000 0.177 210 G HA3 0.239 4.199 3.960 -0.000 0.000 0.177 210 G C 0.373 175.118 174.900 -0.257 0.000 0.999 210 G CA -0.049 44.857 45.100 -0.324 0.000 0.723 210 G HN 1.347 nan 8.290 nan 0.000 0.491 211 A N 0.291 123.031 122.820 -0.134 0.000 2.520 211 A HA 0.584 4.904 4.320 -0.000 0.000 0.245 211 A C 1.006 178.549 177.584 -0.069 0.000 1.072 211 A CA 1.116 53.096 52.037 -0.095 0.000 0.761 211 A CB 0.268 19.231 19.000 -0.062 0.000 1.004 211 A HN 0.461 nan 8.150 nan 0.000 0.499 212 Q N 0.410 120.179 119.800 -0.052 0.000 2.282 212 Q HA 0.445 4.785 4.340 -0.000 0.000 0.206 212 Q C 0.218 176.244 176.000 0.043 0.000 0.878 212 Q CA 0.682 56.487 55.803 0.002 0.000 0.944 212 Q CB 0.573 29.314 28.738 0.006 0.000 1.100 212 Q HN 0.919 nan 8.270 nan 0.000 0.509 213 A N 0.308 123.144 122.820 0.026 0.000 2.586 213 A HA 0.742 5.062 4.320 -0.000 0.000 0.290 213 A C -1.938 175.662 177.584 0.027 0.000 1.086 213 A CA -0.654 51.403 52.037 0.034 0.000 0.665 213 A CB 1.162 20.250 19.000 0.146 0.000 1.279 213 A HN 0.135 nan 8.150 nan 0.000 0.423 214 L N 0.444 121.691 121.223 0.041 0.000 2.431 214 L HA 0.637 4.977 4.340 -0.000 0.000 0.266 214 L C -0.527 176.424 176.870 0.135 0.000 0.978 214 L CA -0.392 54.499 54.840 0.085 0.000 0.822 214 L CB 2.358 44.456 42.059 0.065 0.000 1.310 214 L HN 0.885 nan 8.230 nan 0.000 0.409 215 Q N 2.549 122.466 119.800 0.196 0.000 2.331 215 Q HA 0.555 4.895 4.340 -0.000 0.000 0.267 215 Q C -1.697 174.432 176.000 0.215 0.000 1.006 215 Q CA -0.752 55.137 55.803 0.144 0.000 0.818 215 Q CB 2.346 31.098 28.738 0.023 0.000 1.276 215 Q HN 0.530 nan 8.270 nan 0.000 0.450 216 L N 4.686 126.006 121.223 0.161 0.000 2.265 216 L HA 0.462 4.802 4.340 -0.000 0.000 0.289 216 L C -1.510 175.443 176.870 0.139 0.000 1.033 216 L CA 0.031 55.011 54.840 0.233 0.000 0.814 216 L CB 0.549 42.754 42.059 0.244 0.000 1.203 216 L HN 0.631 nan 8.230 nan 0.000 0.423 217 F N 3.464 123.580 119.950 0.276 0.000 2.368 217 F HA 0.252 4.779 4.527 -0.000 0.000 0.362 217 F C 0.716 176.601 175.800 0.143 0.000 1.137 217 F CA -0.349 57.802 58.000 0.251 0.000 1.161 217 F CB 0.691 39.865 39.000 0.290 0.000 1.265 217 F HN 0.476 nan 8.300 nan 0.000 0.530 218 E N 1.555 121.861 120.200 0.176 0.000 2.201 218 E HA 0.169 4.519 4.350 -0.000 0.000 0.272 218 E C 0.714 177.299 176.600 -0.024 0.000 1.228 218 E CA 0.030 56.505 56.400 0.126 0.000 1.305 218 E CB 0.034 29.825 29.700 0.151 0.000 1.381 218 E HN 0.464 nan 8.360 nan 0.000 0.475 219 S N 0.900 116.578 115.700 -0.035 0.000 2.447 219 S HA -0.097 4.373 4.470 -0.000 0.000 0.233 219 S C 0.500 174.853 174.600 -0.411 0.000 1.006 219 S CA 0.780 58.832 58.200 -0.248 0.000 0.957 219 S CB -0.220 62.847 63.200 -0.222 0.000 0.773 219 S HN 0.612 nan 8.310 nan 0.000 0.507 220 H N -0.086 118.977 119.070 -0.012 0.000 2.488 220 H HA 0.491 5.047 4.556 -0.000 0.000 0.294 220 H C 1.609 177.026 175.328 0.148 0.000 1.088 220 H CA 0.101 56.093 56.048 -0.093 0.000 1.086 220 H CB 0.166 29.843 29.762 -0.143 0.000 1.569 220 H HN 0.334 nan 8.280 nan 0.000 0.548 221 A N 0.516 123.466 122.820 0.215 0.000 1.940 221 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 221 A C 2.554 180.296 177.584 0.264 0.000 1.176 221 A CA 1.590 53.834 52.037 0.346 0.000 0.631 221 A CB -0.888 18.191 19.000 0.131 0.000 0.814 221 A HN 0.560 nan 8.150 nan 0.000 0.446 222 G N -1.547 107.267 108.800 0.022 0.000 2.509 222 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.218 222 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.218 222 G C 1.153 176.145 174.900 0.154 0.000 1.124 222 G CA 0.973 46.119 45.100 0.076 0.000 0.776 222 G HN 0.838 nan 8.290 nan 0.000 0.547 223 H N -0.626 118.592 119.070 0.247 0.000 2.529 223 H HA 0.231 4.787 4.556 -0.000 0.000 0.277 223 H C 2.303 177.694 175.328 0.105 0.000 0.999 223 H CA -0.159 56.001 56.048 0.185 0.000 1.256 223 H CB 0.270 30.178 29.762 0.243 0.000 1.402 223 H HN 0.250 nan 8.280 nan 0.000 0.566 224 L N -0.156 121.168 121.223 0.168 0.000 2.071 224 L HA 0.124 4.464 4.340 -0.000 0.000 0.201 224 L C 1.061 177.813 176.870 -0.197 0.000 1.076 224 L CA 0.616 55.434 54.840 -0.037 0.000 0.755 224 L CB -0.381 41.651 42.059 -0.045 0.000 0.915 224 L HN 0.484 nan 8.230 nan 0.000 0.445 225 G N -0.746 107.693 108.800 -0.601 0.000 2.755 225 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.686 225 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.686 225 G C -2.274 172.186 174.900 -0.734 0.000 1.427 225 G CA -0.381 44.102 45.100 -1.028 0.000 0.873 225 G HN 0.048 nan 8.290 nan 0.000 0.580 226 P HA -0.116 nan 4.420 nan 0.000 0.215 226 P C 1.836 179.157 177.300 0.035 0.000 1.157 226 P CA 1.904 64.931 63.100 -0.122 0.000 0.868 226 P CB 0.005 31.693 31.700 -0.020 0.000 0.788 227 Q N -0.763 119.031 119.800 -0.009 0.000 2.050 227 Q HA -0.089 4.251 4.340 -0.000 0.000 0.202 227 Q C 2.353 178.373 176.000 0.033 0.000 0.980 227 Q CA 1.160 56.978 55.803 0.026 0.000 0.840 227 Q CB -0.649 28.106 28.738 0.029 0.000 0.898 227 Q HN 0.243 nan 8.270 nan 0.000 0.424 228 L N -0.590 120.640 121.223 0.012 0.000 2.093 228 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 228 L C 2.233 179.121 176.870 0.030 0.000 1.085 228 L CA 0.746 55.595 54.840 0.014 0.000 0.755 228 L CB -0.295 41.681 42.059 -0.137 0.000 0.904 228 L HN 0.232 nan 8.230 nan 0.000 0.435 229 F N 1.380 121.286 119.950 -0.074 0.000 2.102 229 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 229 F C 2.357 178.171 175.800 0.024 0.000 1.105 229 F CA 1.634 59.630 58.000 -0.007 0.000 1.239 229 F CB -0.160 38.967 39.000 0.212 0.000 0.991 229 F HN 0.120 nan 8.300 nan 0.000 0.474 230 N N 0.549 119.383 118.700 0.223 0.000 2.223 230 N HA -0.151 4.589 4.740 -0.000 0.000 0.185 230 N C 1.686 177.156 175.510 -0.067 0.000 1.016 230 N CA 1.240 54.347 53.050 0.096 0.000 0.863 230 N CB -0.319 38.236 38.487 0.113 0.000 0.983 230 N HN 0.391 nan 8.380 nan 0.000 0.429 231 K N -0.994 119.331 120.400 -0.125 0.000 2.098 231 K HA 0.096 4.416 4.320 -0.000 0.000 0.203 231 K C 0.996 177.333 176.600 -0.439 0.000 1.051 231 K CA 0.842 56.929 56.287 -0.332 0.000 0.957 231 K CB 0.087 32.287 32.500 -0.499 0.000 0.738 231 K HN 0.128 nan 8.250 nan 0.000 0.447 232 F N -1.368 118.554 119.950 -0.047 0.000 2.740 232 F HA 0.238 4.765 4.527 -0.000 0.000 0.304 232 F C 1.775 177.600 175.800 0.041 0.000 1.098 232 F CA -0.028 57.985 58.000 0.021 0.000 1.258 232 F CB 0.578 39.456 39.000 -0.202 0.000 1.061 232 F HN -0.057 nan 8.300 nan 0.000 0.598 233 A N -0.375 122.358 122.820 -0.145 0.000 1.969 233 A HA 0.130 4.450 4.320 -0.000 0.000 0.205 233 A C 1.725 179.123 177.584 -0.310 0.000 1.364 233 A CA 0.302 52.160 52.037 -0.298 0.000 0.756 233 A CB -0.864 17.555 19.000 -0.969 0.000 0.988 233 A HN 0.182 nan 8.150 nan 0.000 0.490 234 L N 0.908 121.821 121.223 -0.517 0.000 2.042 234 L HA -0.044 4.296 4.340 -0.000 0.000 0.210 234 L C -0.971 175.834 176.870 -0.107 0.000 1.076 234 L CA 2.423 57.140 54.840 -0.204 0.000 0.749 234 L CB -1.006 41.032 42.059 -0.036 0.000 0.893 234 L HN 0.177 nan 8.230 nan 0.000 0.432 235 P HA -0.178 nan 4.420 nan 0.000 0.216 235 P C 1.071 178.165 177.300 -0.343 0.000 1.150 235 P CA 1.719 64.613 63.100 -0.343 0.000 0.837 235 P CB -0.171 31.172 31.700 -0.595 0.000 0.786 236 Y N -1.349 118.977 120.300 0.043 0.000 2.337 236 Y HA -0.014 4.536 4.550 -0.000 0.000 0.293 236 Y C 2.354 178.321 175.900 0.112 0.000 1.123 236 Y CA 0.401 58.552 58.100 0.085 0.000 1.201 236 Y CB -1.024 37.502 38.460 0.110 0.000 1.011 236 Y HN -0.143 nan 8.280 nan 0.000 0.545 237 I N 0.068 120.761 120.570 0.206 0.000 2.179 237 I HA -0.320 3.850 4.170 -0.000 0.000 0.242 237 I C 2.323 178.627 176.117 0.311 0.000 1.088 237 I CA 1.471 62.911 61.300 0.233 0.000 1.357 237 I CB -0.280 37.799 38.000 0.133 0.000 1.051 237 I HN 0.152 nan 8.210 nan 0.000 0.409 238 R N 0.446 121.062 120.500 0.194 0.000 2.075 238 R HA -0.161 4.179 4.340 -0.000 0.000 0.232 238 R C 1.927 178.286 176.300 0.099 0.000 1.126 238 R CA 1.587 57.783 56.100 0.159 0.000 0.963 238 R CB -0.382 29.959 30.300 0.068 0.000 0.858 238 R HN 0.322 nan 8.270 nan 0.000 0.435 239 D N 0.151 120.596 120.400 0.075 0.000 2.144 239 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 239 D C 1.936 178.295 176.300 0.099 0.000 0.984 239 D CA 0.947 54.989 54.000 0.070 0.000 0.834 239 D CB -0.195 40.652 40.800 0.079 0.000 0.955 239 D HN -0.006 nan 8.370 nan 0.000 0.465 240 V N 1.295 121.302 119.914 0.155 0.000 2.261 240 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 240 V C 2.510 178.644 176.094 0.067 0.000 1.047 240 V CA 1.923 64.314 62.300 0.152 0.000 1.015 240 V CB -0.801 31.163 31.823 0.235 0.000 0.642 240 V HN 0.203 nan 8.190 nan 0.000 0.446 241 A N -0.422 122.394 122.820 -0.006 0.000 1.877 241 A HA -0.282 4.037 4.320 -0.000 0.000 0.216 241 A C 2.347 179.863 177.584 -0.113 0.000 1.186 241 A CA 2.293 54.194 52.037 -0.228 0.000 0.620 241 A CB -0.551 18.079 19.000 -0.616 0.000 0.822 241 A HN 0.518 nan 8.150 nan 0.000 0.443 242 K N -0.585 119.783 120.400 -0.053 0.000 2.009 242 K HA -0.226 4.094 4.320 -0.000 0.000 0.210 242 K C 2.278 178.873 176.600 -0.010 0.000 1.049 242 K CA 1.914 58.185 56.287 -0.027 0.000 0.929 242 K CB -0.230 32.267 32.500 -0.005 0.000 0.714 242 K HN 0.645 nan 8.250 nan 0.000 0.440 243 Q N -0.092 119.714 119.800 0.010 0.000 2.123 243 Q HA -0.091 4.249 4.340 -0.000 0.000 0.199 243 Q C 2.148 178.158 176.000 0.018 0.000 0.966 243 Q CA 1.118 56.935 55.803 0.023 0.000 0.845 243 Q CB 0.159 28.924 28.738 0.045 0.000 0.907 243 Q HN 0.146 nan 8.270 nan 0.000 0.439 244 V N 1.479 121.400 119.914 0.012 0.000 2.261 244 V HA -0.294 3.825 4.120 -0.000 0.000 0.246 244 V C 2.067 178.158 176.094 -0.004 0.000 1.047 244 V CA 1.894 64.197 62.300 0.006 0.000 1.015 244 V CB -0.410 31.413 31.823 -0.001 0.000 0.642 244 V HN 0.301 nan 8.190 nan 0.000 0.446 245 K N 0.112 120.503 120.400 -0.016 0.000 2.063 245 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 245 K C 2.298 178.900 176.600 0.003 0.000 1.048 245 K CA 1.571 57.855 56.287 -0.004 0.000 0.928 245 K CB -0.477 32.015 32.500 -0.012 0.000 0.713 245 K HN 0.485 nan 8.250 nan 0.000 0.442 246 A N 1.747 124.568 122.820 0.001 0.000 1.877 246 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 246 A C 2.070 179.657 177.584 0.006 0.000 1.186 246 A CA 1.380 53.420 52.037 0.005 0.000 0.620 246 A CB -0.413 18.591 19.000 0.006 0.000 0.822 246 A HN 0.201 nan 8.150 nan 0.000 0.443 247 R N -0.636 119.869 120.500 0.008 0.000 2.081 247 R HA -0.059 4.281 4.340 -0.000 0.000 0.235 247 R C 2.108 178.408 176.300 0.001 0.000 1.131 247 R CA 1.407 57.511 56.100 0.007 0.000 0.960 247 R CB -0.609 29.697 30.300 0.010 0.000 0.856 247 R HN 0.523 nan 8.270 nan 0.000 0.436 248 L N 0.151 121.375 121.223 0.001 0.000 2.027 248 L HA -0.156 4.184 4.340 -0.000 0.000 0.206 248 L C 2.694 179.566 176.870 0.003 0.000 1.074 248 L CA 1.374 56.214 54.840 0.000 0.000 0.745 248 L CB -0.371 41.691 42.059 0.006 0.000 0.898 248 L HN 0.137 nan 8.230 nan 0.000 0.433 249 R N 0.099 120.602 120.500 0.005 0.000 2.083 249 R HA -0.197 4.143 4.340 -0.000 0.000 0.237 249 R C 2.179 178.479 176.300 -0.000 0.000 1.137 249 R CA 1.663 57.764 56.100 0.002 0.000 0.951 249 R CB -0.280 30.021 30.300 0.001 0.000 0.851 249 R HN 0.417 nan 8.270 nan 0.000 0.434 250 E N 0.013 120.214 120.200 0.000 0.000 2.153 250 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 250 E C 1.615 178.215 176.600 -0.001 0.000 0.988 250 E CA 1.117 57.517 56.400 0.000 0.000 0.811 250 E CB -0.002 29.699 29.700 0.002 0.000 0.746 250 E HN 0.366 nan 8.360 nan 0.000 0.466 251 A N -0.074 122.744 122.820 -0.003 0.000 2.238 251 A HA 0.259 4.579 4.320 -0.000 0.000 0.208 251 A C 1.694 179.276 177.584 -0.005 0.000 1.177 251 A CA 0.797 52.831 52.037 -0.005 0.000 0.804 251 A CB -0.198 18.796 19.000 -0.010 0.000 0.823 251 A HN 0.331 nan 8.150 nan 0.000 0.482 252 G N -1.606 107.192 108.800 -0.003 0.000 2.157 252 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.239 252 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.239 252 G C 0.036 174.936 174.900 -0.000 0.000 0.982 252 G CA 0.293 45.391 45.100 -0.003 0.000 0.650 252 G HN 0.432 nan 8.290 nan 0.000 0.527 253 L N 0.350 121.574 121.223 0.003 0.000 2.358 253 L HA 0.831 5.171 4.340 -0.000 0.000 0.268 253 L C 1.064 177.942 176.870 0.014 0.000 1.032 253 L CA -0.685 54.161 54.840 0.010 0.000 0.805 253 L CB 1.486 43.551 42.059 0.010 0.000 1.253 253 L HN 0.257 nan 8.230 nan 0.000 0.452 254 A N 1.718 124.553 122.820 0.024 0.000 2.332 254 A HA 0.616 4.936 4.320 -0.000 0.000 0.258 254 A C -2.293 175.328 177.584 0.062 0.000 1.087 254 A CA -1.094 50.961 52.037 0.031 0.000 0.802 254 A CB -0.391 18.629 19.000 0.033 0.000 1.042 254 A HN 0.484 nan 8.150 nan 0.000 0.489 255 P HA 0.427 nan 4.420 nan 0.000 0.277 255 P C -0.488 176.954 177.300 0.237 0.000 1.240 255 P CA -0.156 63.035 63.100 0.151 0.000 0.798 255 P CB 1.066 32.885 31.700 0.199 0.000 0.979 256 V N -2.216 117.805 119.914 0.178 0.000 3.019 256 V HA 0.688 4.808 4.120 -0.000 0.000 0.317 256 V C -2.712 173.368 176.094 -0.023 0.000 1.094 256 V CA -3.158 59.242 62.300 0.166 0.000 1.000 256 V CB 1.287 33.148 31.823 0.064 0.000 1.060 256 V HN 0.335 nan 8.190 nan 0.000 0.443 257 P HA 0.363 nan 4.420 nan 0.000 0.271 257 P C -0.836 176.294 177.300 -0.283 0.000 1.216 257 P CA 0.075 62.770 63.100 -0.675 0.000 0.776 257 P CB 0.462 31.565 31.700 -0.995 0.000 0.881 258 M N 2.958 122.429 119.600 -0.215 0.000 2.383 258 M HA 0.471 4.950 4.480 -0.000 0.000 0.325 258 M C -0.213 176.175 176.300 0.146 0.000 1.092 258 M CA -0.612 54.681 55.300 -0.012 0.000 0.961 258 M CB 1.768 34.312 32.600 -0.094 0.000 1.672 258 M HN 0.152 nan 8.290 nan 0.000 0.438 259 I N 3.244 123.942 120.570 0.214 0.000 2.406 259 I HA 0.437 4.607 4.170 -0.000 0.000 0.290 259 I C -0.936 175.241 176.117 0.100 0.000 0.999 259 I CA -0.790 60.600 61.300 0.150 0.000 1.124 259 I CB 1.941 39.998 38.000 0.094 0.000 1.289 259 I HN 0.506 nan 8.210 nan 0.000 0.441 260 I N 7.241 127.750 120.570 -0.102 0.000 2.354 260 I HA 0.430 4.600 4.170 -0.000 0.000 0.292 260 I C -1.465 174.609 176.117 -0.072 0.000 0.989 260 I CA -0.522 60.579 61.300 -0.331 0.000 1.188 260 I CB 1.042 38.536 38.000 -0.843 0.000 1.342 260 I HN 0.362 nan 8.210 nan 0.000 0.457 261 F N 8.612 128.431 119.950 -0.218 0.000 2.430 261 F HA 0.754 5.281 4.527 -0.000 0.000 0.362 261 F C -0.535 175.204 175.800 -0.103 0.000 1.103 261 F CA -1.259 56.636 58.000 -0.175 0.000 1.045 261 F CB 0.990 39.833 39.000 -0.263 0.000 1.276 261 F HN 0.546 nan 8.300 nan 0.000 0.444 262 A N 6.934 129.524 122.820 -0.383 0.000 2.444 262 A HA 0.332 4.652 4.320 -0.000 0.000 0.332 262 A C 0.020 177.194 177.584 -0.684 0.000 1.430 262 A CA -0.761 51.014 52.037 -0.436 0.000 0.975 262 A CB -0.015 18.808 19.000 -0.295 0.000 1.147 262 A HN 0.718 nan 8.150 nan 0.000 0.524 263 K N 2.326 122.166 120.400 -0.933 0.000 2.451 263 K HA 0.075 4.395 4.320 -0.000 0.000 0.280 263 K C -0.552 175.765 176.600 -0.472 0.000 1.020 263 K CA 0.236 56.043 56.287 -0.801 0.000 1.008 263 K CB 0.172 32.207 32.500 -0.774 0.000 0.917 263 K HN 0.710 nan 8.250 nan 0.000 0.478 264 D N 2.151 122.304 120.400 -0.412 0.000 3.012 264 D HA -0.145 4.495 4.640 -0.000 0.000 0.222 264 D C 0.310 176.340 176.300 -0.451 0.000 1.167 264 D CA 1.321 55.125 54.000 -0.326 0.000 0.854 264 D CB -1.164 39.515 40.800 -0.202 0.000 1.107 264 D HN 0.851 nan 8.370 nan 0.000 0.421 265 G N -0.268 108.161 108.800 -0.619 0.000 3.591 265 G HA2 0.156 4.115 3.960 -0.000 0.000 0.282 265 G HA3 0.156 4.115 3.960 -0.000 0.000 0.282 265 G C 1.118 175.378 174.900 -1.067 0.000 1.238 265 G CA 0.272 44.727 45.100 -1.075 0.000 0.993 265 G HN 0.546 nan 8.290 nan 0.000 0.542 266 H N -0.038 118.747 119.070 -0.476 0.000 2.357 266 H HA -0.249 4.307 4.556 -0.000 0.000 0.296 266 H C 1.823 176.974 175.328 -0.295 0.000 1.108 266 H CA 1.656 57.535 56.048 -0.282 0.000 1.273 266 H CB -0.922 28.765 29.762 -0.124 0.000 1.367 266 H HN 0.516 nan 8.280 nan 0.000 0.498 267 F N -0.418 119.329 119.950 -0.339 0.000 2.661 267 F HA 0.476 5.003 4.527 -0.000 0.000 0.298 267 F C 2.016 177.702 175.800 -0.191 0.000 1.137 267 F CA 0.233 58.192 58.000 -0.069 0.000 1.454 267 F CB -0.233 38.691 39.000 -0.125 0.000 1.103 267 F HN 0.351 nan 8.300 nan 0.000 0.577 268 A N 0.291 122.648 122.820 -0.772 0.000 2.431 268 A HA 0.390 4.710 4.320 -0.000 0.000 0.239 268 A C 1.799 179.192 177.584 -0.320 0.000 1.230 268 A CA -0.222 51.477 52.037 -0.564 0.000 0.928 268 A CB -0.706 17.569 19.000 -1.208 0.000 1.006 268 A HN 0.443 nan 8.150 nan 0.000 0.520 269 L N -0.398 120.667 121.223 -0.263 0.000 2.042 269 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 269 L C 2.496 179.328 176.870 -0.063 0.000 1.076 269 L CA 2.030 56.781 54.840 -0.148 0.000 0.749 269 L CB -0.347 41.651 42.059 -0.101 0.000 0.893 269 L HN 0.644 nan 8.230 nan 0.000 0.432 270 E N 0.244 120.422 120.200 -0.037 0.000 2.058 270 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 270 E C 2.049 178.659 176.600 0.016 0.000 0.997 270 E CA 1.402 57.801 56.400 -0.001 0.000 0.801 270 E CB 0.122 29.828 29.700 0.011 0.000 0.746 270 E HN 0.425 nan 8.360 nan 0.000 0.450 271 E N 0.304 120.517 120.200 0.021 0.000 2.150 271 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 271 E C 2.353 178.993 176.600 0.068 0.000 0.985 271 E CA 0.694 57.128 56.400 0.057 0.000 0.814 271 E CB -0.091 29.667 29.700 0.097 0.000 0.752 271 E HN 0.416 nan 8.360 nan 0.000 0.466 272 L N 0.657 121.900 121.223 0.033 0.000 2.141 272 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 272 L C 2.473 179.379 176.870 0.060 0.000 1.094 272 L CA 0.830 55.691 54.840 0.035 0.000 0.763 272 L CB -0.434 41.598 42.059 -0.045 0.000 0.908 272 L HN 0.050 nan 8.230 nan 0.000 0.437 273 A N -0.622 122.225 122.820 0.045 0.000 2.172 273 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 273 A C 2.008 179.637 177.584 0.076 0.000 1.154 273 A CA 1.096 53.170 52.037 0.061 0.000 0.701 273 A CB -0.226 18.799 19.000 0.042 0.000 0.789 273 A HN 0.539 nan 8.150 nan 0.000 0.465 274 Q N -1.343 118.505 119.800 0.079 0.000 2.247 274 Q HA 0.343 4.683 4.340 -0.000 0.000 0.211 274 Q C 1.511 177.571 176.000 0.100 0.000 0.861 274 Q CA 0.387 56.236 55.803 0.076 0.000 0.949 274 Q CB 0.313 29.086 28.738 0.058 0.000 1.115 274 Q HN 0.570 nan 8.270 nan 0.000 0.507 275 A N 0.507 123.420 122.820 0.156 0.000 2.251 275 A HA 0.366 4.686 4.320 -0.000 0.000 0.209 275 A C 1.391 179.116 177.584 0.236 0.000 1.187 275 A CA 0.748 52.914 52.037 0.215 0.000 0.823 275 A CB -0.170 18.993 19.000 0.271 0.000 0.846 275 A HN 0.401 nan 8.150 nan 0.000 0.486 276 G N -2.281 106.610 108.800 0.150 0.000 2.131 276 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.201 276 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.201 276 G C -0.302 174.499 174.900 -0.164 0.000 1.000 276 G CA 0.058 45.153 45.100 -0.009 0.000 0.680 276 G HN 0.378 nan 8.290 nan 0.000 0.514 277 Y N -0.045 120.267 120.300 0.020 0.000 2.360 277 Y HA 0.584 5.134 4.550 -0.000 0.000 0.337 277 Y C 1.337 177.219 175.900 -0.029 0.000 1.039 277 Y CA -0.820 57.277 58.100 -0.006 0.000 1.109 277 Y CB 1.562 40.027 38.460 0.009 0.000 1.201 277 Y HN 0.058 nan 8.280 nan 0.000 0.458 278 E N 1.120 121.325 120.200 0.007 0.000 2.150 278 E HA 0.010 4.360 4.350 -0.000 0.000 0.193 278 E C -0.434 176.142 176.600 -0.040 0.000 0.985 278 E CA 0.793 57.149 56.400 -0.073 0.000 0.814 278 E CB 0.158 29.661 29.700 -0.329 0.000 0.752 278 E HN 0.280 nan 8.360 nan 0.000 0.466 279 V N 0.530 120.444 119.914 -0.001 0.000 2.656 279 V HA 0.325 4.445 4.120 -0.000 0.000 0.307 279 V C -0.643 175.482 176.094 0.053 0.000 1.051 279 V CA -0.985 61.315 62.300 0.000 0.000 0.893 279 V CB 2.306 34.100 31.823 -0.048 0.000 0.999 279 V HN -0.264 nan 8.190 nan 0.000 0.426 280 V N 3.458 123.401 119.914 0.048 0.000 2.357 280 V HA 0.672 4.792 4.120 -0.000 0.000 0.284 280 V C 0.784 176.919 176.094 0.067 0.000 1.018 280 V CA -0.256 62.070 62.300 0.043 0.000 0.841 280 V CB 1.580 33.427 31.823 0.039 0.000 0.991 280 V HN 0.993 nan 8.190 nan 0.000 0.437 281 G N 4.944 113.800 108.800 0.093 0.000 2.420 281 G HA2 0.661 4.621 3.960 -0.000 0.000 0.284 281 G HA3 0.661 4.621 3.960 -0.000 0.000 0.284 281 G C -0.880 174.187 174.900 0.278 0.000 1.177 281 G CA -0.463 44.709 45.100 0.120 0.000 0.841 281 G HN 0.582 nan 8.290 nan 0.000 0.527 282 L N 1.182 122.542 121.223 0.227 0.000 2.362 282 L HA 0.348 4.688 4.340 -0.000 0.000 0.271 282 L C -0.224 176.840 176.870 0.324 0.000 1.002 282 L CA -1.163 53.823 54.840 0.244 0.000 0.818 282 L CB 2.279 44.471 42.059 0.221 0.000 1.298 282 L HN 0.767 nan 8.230 nan 0.000 0.420 283 D N -0.434 120.113 120.400 0.246 0.000 2.414 283 D HA 0.006 4.646 4.640 -0.000 0.000 0.251 283 D C 0.669 177.035 176.300 0.111 0.000 1.252 283 D CA -0.453 53.645 54.000 0.164 0.000 0.999 283 D CB 0.531 41.225 40.800 -0.177 0.000 1.093 283 D HN 0.594 nan 8.370 nan 0.000 0.515 284 W N -1.219 120.133 121.300 0.086 0.000 3.180 284 W HA 0.110 4.770 4.660 -0.000 0.000 0.254 284 W C 1.353 177.900 176.519 0.047 0.000 1.318 284 W CA 0.381 57.762 57.345 0.059 0.000 1.608 284 W CB -0.854 28.623 29.460 0.028 0.000 1.124 284 W HN 0.402 nan 8.180 nan 0.000 0.694 285 T N -1.762 112.499 114.554 -0.487 0.000 3.081 285 T HA 0.120 4.470 4.350 -0.000 0.000 0.255 285 T C 0.419 175.041 174.700 -0.130 0.000 1.113 285 T CA 0.115 62.020 62.100 -0.326 0.000 1.082 285 T CB -0.512 68.115 68.868 -0.403 0.000 0.939 285 T HN -0.077 nan 8.240 nan 0.000 0.506 286 V N 2.467 122.331 119.914 -0.083 0.000 2.383 286 V HA 0.684 4.804 4.120 -0.000 0.000 0.275 286 V C 0.718 176.780 176.094 -0.052 0.000 1.036 286 V CA -1.422 60.848 62.300 -0.050 0.000 0.889 286 V CB 0.539 32.346 31.823 -0.027 0.000 0.985 286 V HN 0.615 nan 8.190 nan 0.000 0.459 287 A N 7.315 130.088 122.820 -0.077 0.000 2.524 287 A HA 0.350 4.670 4.320 -0.000 0.000 0.250 287 A C -1.157 176.299 177.584 -0.213 0.000 1.078 287 A CA -0.747 51.216 52.037 -0.123 0.000 0.761 287 A CB -0.045 18.892 19.000 -0.104 0.000 1.012 287 A HN 0.723 nan 8.150 nan 0.000 0.500 288 P HA -0.216 nan 4.420 nan 0.000 0.216 288 P C 1.223 178.257 177.300 -0.444 0.000 1.154 288 P CA 1.706 64.352 63.100 -0.756 0.000 0.865 288 P CB 0.119 30.858 31.700 -1.602 0.000 0.789 289 K N -0.212 119.997 120.400 -0.318 0.000 2.057 289 K HA -0.138 4.181 4.320 -0.000 0.000 0.207 289 K C 2.024 178.552 176.600 -0.120 0.000 1.049 289 K CA 1.369 57.546 56.287 -0.184 0.000 0.931 289 K CB -0.281 32.134 32.500 -0.141 0.000 0.714 289 K HN 0.198 nan 8.250 nan 0.000 0.440 290 K N 0.618 120.951 120.400 -0.112 0.000 2.057 290 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 290 K C 2.283 178.850 176.600 -0.055 0.000 1.049 290 K CA 1.135 57.379 56.287 -0.073 0.000 0.931 290 K CB -0.172 32.287 32.500 -0.069 0.000 0.714 290 K HN 0.114 nan 8.250 nan 0.000 0.440 291 A N 1.738 124.520 122.820 -0.063 0.000 1.883 291 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 291 A C 2.143 179.726 177.584 -0.002 0.000 1.186 291 A CA 1.854 53.878 52.037 -0.022 0.000 0.624 291 A CB -0.464 18.543 19.000 0.010 0.000 0.822 291 A HN 0.150 nan 8.150 nan 0.000 0.444 292 R N 0.226 120.715 120.500 -0.019 0.000 2.096 292 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 292 R C 1.945 178.247 176.300 0.005 0.000 1.127 292 R CA 2.000 58.106 56.100 0.011 0.000 0.968 292 R CB -0.473 29.826 30.300 -0.002 0.000 0.861 292 R HN 0.723 nan 8.270 nan 0.000 0.440 293 E N -0.903 119.289 120.200 -0.013 0.000 2.077 293 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 293 E C 2.140 178.739 176.600 -0.002 0.000 0.989 293 E CA 1.436 57.830 56.400 -0.009 0.000 0.800 293 E CB -0.197 29.492 29.700 -0.019 0.000 0.746 293 E HN 0.366 nan 8.360 nan 0.000 0.452 294 C N 0.383 119.681 119.300 -0.004 0.000 2.429 294 C HA -0.092 4.368 4.460 -0.000 0.000 0.277 294 C C 2.822 177.816 174.990 0.008 0.000 1.262 294 C CA 0.943 59.961 59.018 -0.001 0.000 1.733 294 C CB -0.764 26.971 27.740 -0.009 0.000 2.010 294 C HN 0.438 nan 8.230 nan 0.000 0.483 295 V N -0.974 118.949 119.914 0.016 0.000 3.354 295 V HA 0.516 4.636 4.120 -0.000 0.000 0.258 295 V C 1.124 177.237 176.094 0.032 0.000 1.159 295 V CA 0.855 63.171 62.300 0.027 0.000 1.125 295 V CB -1.346 30.501 31.823 0.039 0.000 0.774 295 V HN 0.824 nan 8.190 nan 0.000 0.464 296 G N 0.798 109.615 108.800 0.028 0.000 2.632 296 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.224 296 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.224 296 G C 0.202 175.124 174.900 0.037 0.000 1.341 296 G CA 0.306 45.423 45.100 0.028 0.000 0.880 296 G HN 0.371 nan 8.290 nan 0.000 0.566 297 K N -0.334 120.085 120.400 0.032 0.000 2.358 297 K HA 0.210 4.530 4.320 -0.000 0.000 0.197 297 K C 2.467 179.089 176.600 0.036 0.000 1.025 297 K CA 1.022 57.329 56.287 0.033 0.000 1.104 297 K CB 0.182 32.692 32.500 0.018 0.000 0.855 297 K HN 0.631 nan 8.250 nan 0.000 0.531 298 T N -1.124 113.454 114.554 0.040 0.000 2.925 298 T HA 0.004 4.354 4.350 -0.000 0.000 0.245 298 T C 1.025 175.759 174.700 0.056 0.000 1.025 298 T CA 0.349 62.476 62.100 0.045 0.000 1.149 298 T CB -0.305 68.592 68.868 0.048 0.000 0.866 298 T HN -0.049 nan 8.240 nan 0.000 0.437 299 V N 1.783 121.732 119.914 0.058 0.000 2.963 299 V HA 0.425 4.545 4.120 -0.000 0.000 0.306 299 V C 0.246 176.378 176.094 0.063 0.000 1.077 299 V CA -0.607 61.728 62.300 0.058 0.000 1.124 299 V CB 0.225 32.086 31.823 0.062 0.000 0.987 299 V HN 0.368 nan 8.190 nan 0.000 0.487 300 T N 5.358 119.937 114.554 0.042 0.000 2.856 300 T HA 0.548 4.898 4.350 -0.000 0.000 0.292 300 T C -0.094 174.644 174.700 0.064 0.000 0.980 300 T CA -0.193 61.934 62.100 0.044 0.000 1.091 300 T CB 0.599 69.451 68.868 -0.027 0.000 0.936 300 T HN 0.601 nan 8.240 nan 0.000 0.503 301 L N 3.141 124.437 121.223 0.120 0.000 2.325 301 L HA 0.543 4.883 4.340 -0.000 0.000 0.279 301 L C 0.238 177.157 176.870 0.083 0.000 1.054 301 L CA -0.665 54.264 54.840 0.148 0.000 0.804 301 L CB 1.475 43.706 42.059 0.287 0.000 1.200 301 L HN 0.550 nan 8.230 nan 0.000 0.436 302 Q N 1.556 121.377 119.800 0.036 0.000 2.353 302 Q HA 0.696 5.036 4.340 -0.000 0.000 0.268 302 Q C -0.446 175.518 176.000 -0.061 0.000 1.045 302 Q CA -0.082 55.679 55.803 -0.070 0.000 0.811 302 Q CB 2.397 31.105 28.738 -0.050 0.000 1.305 302 Q HN 0.820 nan 8.270 nan 0.000 0.447 303 G N 2.371 111.096 108.800 -0.125 0.000 2.278 303 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.265 303 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.265 303 G C -1.291 173.685 174.900 0.125 0.000 1.329 303 G CA -0.066 45.024 45.100 -0.017 0.000 1.017 303 G HN 0.836 nan 8.290 nan 0.000 0.472 304 N N -0.441 118.450 118.700 0.320 0.000 2.547 304 N HA 0.308 5.048 4.740 -0.000 0.000 0.285 304 N C -0.226 175.430 175.510 0.243 0.000 1.600 304 N CA -0.243 52.970 53.050 0.271 0.000 0.872 304 N CB 0.434 39.149 38.487 0.380 0.000 1.412 304 N HN 0.807 nan 8.380 nan 0.000 0.489 305 L N 1.623 122.924 121.223 0.129 0.000 2.499 305 L HA 0.207 4.547 4.340 -0.000 0.000 0.273 305 L C 0.319 177.121 176.870 -0.113 0.000 1.195 305 L CA 0.128 54.984 54.840 0.026 0.000 0.882 305 L CB 0.268 42.283 42.059 -0.074 0.000 1.133 305 L HN 0.163 nan 8.230 nan 0.000 0.483 306 D N 7.282 127.603 120.400 -0.131 0.000 2.662 306 D HA -0.060 4.580 4.640 -0.000 0.000 0.237 306 D C -1.597 174.301 176.300 -0.671 0.000 1.154 306 D CA -1.028 52.618 54.000 -0.589 0.000 0.861 306 D CB 0.987 41.441 40.800 -0.576 0.000 1.146 306 D HN 0.398 nan 8.370 nan 0.000 0.518 307 P HA -0.149 nan 4.420 nan 0.000 0.216 307 P C 1.316 178.050 177.300 -0.943 0.000 1.150 307 P CA 0.767 63.334 63.100 -0.888 0.000 0.837 307 P CB -0.007 31.071 31.700 -1.036 0.000 0.786 308 C N -0.446 118.327 119.300 -0.878 0.000 2.437 308 C HA 0.134 4.594 4.460 -0.000 0.000 0.283 308 C C 2.954 177.685 174.990 -0.432 0.000 1.424 308 C CA 0.610 59.217 59.018 -0.685 0.000 1.782 308 C CB -1.946 25.646 27.740 -0.247 0.000 1.833 308 C HN 0.250 nan 8.230 nan 0.000 0.532 309 A N 0.798 123.381 122.820 -0.394 0.000 2.024 309 A HA -0.118 4.202 4.320 -0.000 0.000 0.220 309 A C 1.949 179.401 177.584 -0.220 0.000 1.164 309 A CA 1.307 53.203 52.037 -0.235 0.000 0.643 309 A CB -0.538 18.337 19.000 -0.208 0.000 0.806 309 A HN 0.678 nan 8.150 nan 0.000 0.451 310 L N -1.845 119.148 121.223 -0.383 0.000 2.551 310 L HA -0.116 4.224 4.340 -0.000 0.000 0.228 310 L C 1.871 178.713 176.870 -0.048 0.000 1.153 310 L CA 0.578 55.261 54.840 -0.262 0.000 0.851 310 L CB -0.592 41.217 42.059 -0.417 0.000 0.959 310 L HN 0.532 nan 8.230 nan 0.000 0.451 311 Y N 0.484 120.759 120.300 -0.042 0.000 2.439 311 Y HA 0.061 4.611 4.550 -0.000 0.000 0.292 311 Y C 1.964 177.915 175.900 0.086 0.000 1.130 311 Y CA -0.363 57.739 58.100 0.003 0.000 1.254 311 Y CB -0.110 38.321 38.460 -0.047 0.000 1.000 311 Y HN 0.173 nan 8.280 nan 0.000 0.554 312 A N 0.719 123.654 122.820 0.191 0.000 2.346 312 A HA 0.232 4.552 4.320 -0.000 0.000 0.255 312 A C 0.698 178.349 177.584 0.112 0.000 1.113 312 A CA -0.033 52.075 52.037 0.118 0.000 0.798 312 A CB -0.167 18.858 19.000 0.041 0.000 1.073 312 A HN 0.325 nan 8.150 nan 0.000 0.502 313 S N -0.661 115.064 115.700 0.042 0.000 2.584 313 S HA 0.102 4.572 4.470 -0.000 0.000 0.270 313 S C 0.676 175.150 174.600 -0.210 0.000 1.346 313 S CA 0.419 58.600 58.200 -0.031 0.000 1.018 313 S CB 0.414 63.615 63.200 0.001 0.000 0.899 313 S HN 0.678 nan 8.310 nan 0.000 0.542 314 E N 0.746 120.751 120.200 -0.325 0.000 2.085 314 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 314 E C 1.957 178.481 176.600 -0.126 0.000 0.994 314 E CA 1.557 57.782 56.400 -0.291 0.000 0.801 314 E CB -0.188 29.381 29.700 -0.218 0.000 0.743 314 E HN 0.927 nan 8.360 nan 0.000 0.453 315 E N 1.246 121.403 120.200 -0.072 0.000 2.077 315 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 315 E C 1.772 178.366 176.600 -0.010 0.000 0.989 315 E CA 1.285 57.670 56.400 -0.025 0.000 0.800 315 E CB 0.074 29.769 29.700 -0.009 0.000 0.746 315 E HN 0.274 nan 8.360 nan 0.000 0.452 316 E N 0.441 120.629 120.200 -0.020 0.000 2.077 316 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 316 E C 2.230 178.829 176.600 -0.002 0.000 0.989 316 E CA 1.237 57.634 56.400 -0.006 0.000 0.800 316 E CB -0.110 29.589 29.700 -0.003 0.000 0.746 316 E HN 0.384 nan 8.360 nan 0.000 0.452 317 I N 0.986 121.541 120.570 -0.026 0.000 2.208 317 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 317 I C 2.536 178.685 176.117 0.052 0.000 1.097 317 I CA 1.279 62.578 61.300 -0.003 0.000 1.363 317 I CB -0.596 37.373 38.000 -0.051 0.000 1.051 317 I HN 0.196 nan 8.210 nan 0.000 0.413 318 G N 0.036 108.864 108.800 0.046 0.000 2.440 318 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 318 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 318 G C 1.563 176.565 174.900 0.169 0.000 1.154 318 G CA 0.547 45.723 45.100 0.127 0.000 0.767 318 G HN 0.419 nan 8.290 nan 0.000 0.552 319 Q N -0.259 119.587 119.800 0.076 0.000 2.079 319 Q HA 0.133 4.473 4.340 -0.000 0.000 0.200 319 Q C 2.644 178.652 176.000 0.014 0.000 0.974 319 Q CA 0.693 56.507 55.803 0.018 0.000 0.840 319 Q CB -0.244 28.498 28.738 0.007 0.000 0.898 319 Q HN 0.413 nan 8.270 nan 0.000 0.430 320 L N -0.101 121.144 121.223 0.037 0.000 2.083 320 L HA -0.181 4.158 4.340 -0.000 0.000 0.209 320 L C 2.278 179.199 176.870 0.084 0.000 1.083 320 L CA 0.740 55.608 54.840 0.047 0.000 0.752 320 L CB -0.395 41.688 42.059 0.039 0.000 0.899 320 L HN 0.119 nan 8.230 nan 0.000 0.433 321 V N 0.107 120.096 119.914 0.125 0.000 2.379 321 V HA -0.278 3.842 4.120 -0.000 0.000 0.245 321 V C 2.570 178.745 176.094 0.134 0.000 1.044 321 V CA 1.855 64.262 62.300 0.178 0.000 1.036 321 V CB -0.441 31.493 31.823 0.185 0.000 0.664 321 V HN 0.464 nan 8.190 nan 0.000 0.453 322 K N 0.040 120.456 120.400 0.026 0.000 2.057 322 K HA -0.300 4.020 4.320 -0.000 0.000 0.207 322 K C 2.235 178.786 176.600 -0.083 0.000 1.049 322 K CA 2.111 58.274 56.287 -0.206 0.000 0.931 322 K CB -0.161 31.973 32.500 -0.610 0.000 0.714 322 K HN 0.382 nan 8.250 nan 0.000 0.440 323 Q N 0.956 120.730 119.800 -0.045 0.000 2.084 323 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 323 Q C 2.072 178.076 176.000 0.006 0.000 0.978 323 Q CA 2.076 57.863 55.803 -0.026 0.000 0.844 323 Q CB -0.240 28.488 28.738 -0.017 0.000 0.898 323 Q HN 0.463 nan 8.270 nan 0.000 0.426 324 M N -0.909 118.732 119.600 0.068 0.000 2.080 324 M HA -0.203 4.277 4.480 -0.000 0.000 0.260 324 M C 1.332 177.735 176.300 0.172 0.000 1.068 324 M CA 1.479 56.863 55.300 0.140 0.000 1.109 324 M CB -0.087 32.676 32.600 0.271 0.000 1.342 324 M HN 0.358 nan 8.290 nan 0.000 0.405 325 L N 0.629 121.953 121.223 0.168 0.000 2.093 325 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 325 L C 1.973 178.875 176.870 0.052 0.000 1.085 325 L CA 1.672 56.605 54.840 0.156 0.000 0.755 325 L CB -1.040 41.129 42.059 0.183 0.000 0.904 325 L HN 0.304 nan 8.230 nan 0.000 0.435 326 D N -0.338 120.066 120.400 0.007 0.000 2.117 326 D HA -0.179 4.461 4.640 -0.000 0.000 0.197 326 D C 1.733 177.998 176.300 -0.059 0.000 0.987 326 D CA 1.262 55.245 54.000 -0.028 0.000 0.829 326 D CB -0.095 40.680 40.800 -0.043 0.000 0.961 326 D HN 0.309 nan 8.370 nan 0.000 0.460 327 D N -0.417 119.924 120.400 -0.100 0.000 2.117 327 D HA -0.096 4.544 4.640 -0.000 0.000 0.198 327 D C 1.960 178.098 176.300 -0.270 0.000 0.982 327 D CA 0.558 54.438 54.000 -0.199 0.000 0.828 327 D CB -0.494 40.135 40.800 -0.285 0.000 0.967 327 D HN 0.254 nan 8.370 nan 0.000 0.464 328 F N 0.542 120.326 119.950 -0.276 0.000 2.259 328 F HA 0.143 4.670 4.527 -0.000 0.000 0.298 328 F C 1.751 177.394 175.800 -0.262 0.000 1.088 328 F CA 0.865 58.617 58.000 -0.413 0.000 1.358 328 F CB -0.149 38.197 39.000 -1.090 0.000 1.040 328 F HN 0.021 nan 8.300 nan 0.000 0.505 329 G N 0.239 109.027 108.800 -0.020 0.000 2.814 329 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.677 329 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.677 329 G C -2.102 172.777 174.900 -0.034 0.000 1.429 329 G CA -0.444 44.643 45.100 -0.022 0.000 0.868 329 G HN 0.057 nan 8.290 nan 0.000 0.553 330 P HA 0.035 nan 4.420 nan 0.000 0.231 330 P C 0.366 177.577 177.300 -0.149 0.000 1.168 330 P CA 1.007 63.996 63.100 -0.185 0.000 0.779 330 P CB 0.099 31.616 31.700 -0.304 0.000 0.844 331 H N 0.786 119.919 119.070 0.104 0.000 2.467 331 H HA 0.342 4.898 4.556 -0.000 0.000 0.331 331 H C 0.590 175.987 175.328 0.115 0.000 1.120 331 H CA -0.543 55.558 56.048 0.089 0.000 1.270 331 H CB 0.816 30.617 29.762 0.064 0.000 1.466 331 H HN -0.046 nan 8.280 nan 0.000 0.504 332 R N 0.501 121.131 120.500 0.216 0.000 3.205 332 R HA -0.248 4.092 4.340 -0.000 0.000 0.249 332 R C -1.287 175.127 176.300 0.191 0.000 0.937 332 R CA 0.494 56.686 56.100 0.153 0.000 0.641 332 R CB -1.863 28.522 30.300 0.142 0.000 1.114 332 R HN 0.517 nan 8.270 nan 0.000 0.451 333 Y N 0.238 120.520 120.300 -0.030 0.000 2.401 333 Y HA 0.542 5.092 4.550 -0.000 0.000 0.330 333 Y C -1.064 174.756 175.900 -0.133 0.000 1.071 333 Y CA -1.648 56.380 58.100 -0.120 0.000 1.049 333 Y CB 1.329 39.712 38.460 -0.128 0.000 1.239 333 Y HN 0.153 nan 8.280 nan 0.000 0.437 334 I N 5.699 125.917 120.570 -0.586 0.000 2.418 334 I HA 0.678 4.847 4.170 -0.000 0.000 0.287 334 I C -0.073 175.496 176.117 -0.913 0.000 1.008 334 I CA -1.006 59.949 61.300 -0.575 0.000 1.104 334 I CB 1.767 39.685 38.000 -0.137 0.000 1.264 334 I HN 0.817 nan 8.210 nan 0.000 0.438 335 A N 5.805 128.090 122.820 -0.892 0.000 2.371 335 A HA 0.599 4.919 4.320 -0.000 0.000 0.257 335 A C -0.208 177.199 177.584 -0.295 0.000 1.089 335 A CA 0.039 51.695 52.037 -0.635 0.000 0.794 335 A CB 0.531 19.264 19.000 -0.445 0.000 1.029 335 A HN 0.790 nan 8.150 nan 0.000 0.488 336 N N 0.163 118.773 118.700 -0.149 0.000 3.116 336 N HA 0.347 5.087 4.740 -0.000 0.000 0.244 336 N C -1.073 174.370 175.510 -0.111 0.000 1.485 336 N CA -0.568 52.346 53.050 -0.227 0.000 0.884 336 N CB 0.652 38.770 38.487 -0.615 0.000 1.415 336 N HN 0.495 nan 8.380 nan 0.000 0.524 337 L N -0.024 120.992 121.223 -0.345 0.000 2.479 337 L HA 0.382 4.722 4.340 -0.000 0.000 0.248 337 L C 1.866 178.632 176.870 -0.172 0.000 1.205 337 L CA -0.136 54.490 54.840 -0.357 0.000 0.817 337 L CB 0.305 42.057 42.059 -0.511 0.000 1.162 337 L HN 0.811 nan 8.230 nan 0.000 0.486 338 G N -2.155 106.656 108.800 0.018 0.000 2.813 338 G HA2 0.049 4.009 3.960 -0.000 0.000 0.209 338 G HA3 0.049 4.009 3.960 -0.000 0.000 0.209 338 G C 0.102 175.291 174.900 0.483 0.000 1.150 338 G CA 0.417 45.705 45.100 0.313 0.000 0.785 338 G HN 0.598 nan 8.290 nan 0.000 0.535 339 H N -2.071 117.076 119.070 0.127 0.000 2.863 339 H HA 0.482 5.038 4.556 -0.000 0.000 0.274 339 H C 0.296 175.611 175.328 -0.022 0.000 1.457 339 H CA -0.398 55.777 56.048 0.212 0.000 1.151 339 H CB 0.658 30.700 29.762 0.466 0.000 1.844 339 H HN 0.120 nan 8.280 nan 0.000 0.562 340 G N 0.877 109.528 108.800 -0.247 0.000 2.569 340 G HA2 0.416 4.376 3.960 -0.000 0.000 0.249 340 G HA3 0.416 4.376 3.960 -0.000 0.000 0.249 340 G C -0.258 174.491 174.900 -0.252 0.000 1.216 340 G CA -0.545 44.407 45.100 -0.247 0.000 0.845 340 G HN 0.550 nan 8.290 nan 0.000 0.568 341 L N 0.498 121.536 121.223 -0.309 0.000 2.506 341 L HA 0.085 4.425 4.340 -0.000 0.000 0.281 341 L C 0.115 176.931 176.870 -0.089 0.000 1.228 341 L CA 0.189 54.789 54.840 -0.401 0.000 0.850 341 L CB 0.230 41.923 42.059 -0.609 0.000 1.110 341 L HN 0.469 nan 8.230 nan 0.000 0.496 342 Y N 2.245 122.375 120.300 -0.283 0.000 2.403 342 Y HA 0.179 4.729 4.550 -0.000 0.000 0.323 342 Y C -1.310 174.555 175.900 -0.059 0.000 1.226 342 Y CA -2.237 55.774 58.100 -0.148 0.000 1.235 342 Y CB 0.868 39.264 38.460 -0.108 0.000 1.248 342 Y HN 0.490 nan 8.280 nan 0.000 0.489 343 P HA -0.159 nan 4.420 nan 0.000 0.222 343 P C 0.374 177.760 177.300 0.144 0.000 1.147 343 P CA 1.471 64.643 63.100 0.120 0.000 0.790 343 P CB 0.085 31.822 31.700 0.062 0.000 0.780 344 D N -2.323 118.180 120.400 0.172 0.000 2.325 344 D HA 0.019 4.659 4.640 -0.000 0.000 0.225 344 D C 0.541 176.958 176.300 0.195 0.000 1.096 344 D CA 0.071 54.172 54.000 0.168 0.000 0.844 344 D CB -0.654 40.241 40.800 0.159 0.000 0.925 344 D HN 0.153 nan 8.370 nan 0.000 0.513 345 M N 0.442 120.131 119.600 0.148 0.000 2.247 345 M HA 0.136 4.616 4.480 -0.000 0.000 0.326 345 M C 0.063 176.408 176.300 0.076 0.000 1.134 345 M CA -0.413 54.907 55.300 0.034 0.000 1.136 345 M CB 0.985 33.452 32.600 -0.223 0.000 1.454 345 M HN -0.205 nan 8.290 nan 0.000 0.467 346 D N 2.162 122.548 120.400 -0.023 0.000 2.313 346 D HA 0.238 4.878 4.640 -0.000 0.000 0.239 346 D C -2.002 174.382 176.300 0.140 0.000 1.142 346 D CA -2.109 51.886 54.000 -0.009 0.000 0.847 346 D CB 1.504 42.128 40.800 -0.294 0.000 1.082 346 D HN 0.144 nan 8.370 nan 0.000 0.480 347 P HA -0.158 nan 4.420 nan 0.000 0.216 347 P C 0.935 178.481 177.300 0.409 0.000 1.150 347 P CA 1.012 64.394 63.100 0.468 0.000 0.843 347 P CB 0.381 32.322 31.700 0.403 0.000 0.787 348 E N -1.464 118.919 120.200 0.305 0.000 2.204 348 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 348 E C 1.807 178.579 176.600 0.287 0.000 0.990 348 E CA 1.244 57.827 56.400 0.303 0.000 0.821 348 E CB -0.814 29.046 29.700 0.266 0.000 0.750 348 E HN 0.477 nan 8.360 nan 0.000 0.477 349 H N -0.227 118.861 119.070 0.030 0.000 2.436 349 H HA 0.021 4.577 4.556 -0.000 0.000 0.294 349 H C 2.169 177.423 175.328 -0.123 0.000 1.048 349 H CA 0.581 56.605 56.048 -0.040 0.000 1.353 349 H CB -0.200 29.527 29.762 -0.059 0.000 1.414 349 H HN -0.068 nan 8.280 nan 0.000 0.536 350 V N -0.034 119.827 119.914 -0.089 0.000 2.343 350 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 350 V C 2.641 178.419 176.094 -0.527 0.000 1.051 350 V CA 1.907 63.981 62.300 -0.376 0.000 1.036 350 V CB -1.110 30.374 31.823 -0.565 0.000 0.654 350 V HN 0.598 nan 8.190 nan 0.000 0.451 351 G N -0.258 108.260 108.800 -0.469 0.000 2.440 351 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.218 351 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.218 351 G C 1.759 176.621 174.900 -0.063 0.000 1.154 351 G CA 1.130 46.148 45.100 -0.137 0.000 0.767 351 G HN 0.618 nan 8.290 nan 0.000 0.552 352 A N 0.297 123.092 122.820 -0.041 0.000 1.933 352 A HA 0.080 4.400 4.320 -0.000 0.000 0.218 352 A C 2.152 179.699 177.584 -0.061 0.000 1.175 352 A CA 1.592 53.595 52.037 -0.057 0.000 0.628 352 A CB -0.520 18.423 19.000 -0.094 0.000 0.814 352 A HN 0.414 nan 8.150 nan 0.000 0.444 353 F N 0.813 120.637 119.950 -0.209 0.000 2.102 353 F HA -0.150 4.377 4.527 -0.000 0.000 0.298 353 F C 2.224 177.885 175.800 -0.232 0.000 1.105 353 F CA 1.938 59.811 58.000 -0.212 0.000 1.239 353 F CB -0.543 38.300 39.000 -0.262 0.000 0.991 353 F HN 0.025 nan 8.300 nan 0.000 0.474 354 V N 0.689 120.371 119.914 -0.387 0.000 2.295 354 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 354 V C 2.165 177.948 176.094 -0.517 0.000 1.049 354 V CA 2.271 64.254 62.300 -0.527 0.000 1.024 354 V CB -0.757 30.895 31.823 -0.286 0.000 0.648 354 V HN 0.265 nan 8.190 nan 0.000 0.447 355 D N 0.417 120.660 120.400 -0.262 0.000 2.144 355 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 355 D C 2.143 178.310 176.300 -0.222 0.000 0.984 355 D CA 1.643 55.546 54.000 -0.162 0.000 0.834 355 D CB -0.265 40.490 40.800 -0.074 0.000 0.955 355 D HN 0.464 nan 8.370 nan 0.000 0.465 356 A N 0.401 123.059 122.820 -0.269 0.000 1.970 356 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 356 A C 2.484 179.907 177.584 -0.268 0.000 1.170 356 A CA 0.633 52.496 52.037 -0.290 0.000 0.645 356 A CB -0.489 18.423 19.000 -0.146 0.000 0.816 356 A HN 0.119 nan 8.150 nan 0.000 0.447 357 V N -0.146 119.545 119.914 -0.371 0.000 2.287 357 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 357 V C 2.296 178.344 176.094 -0.076 0.000 1.053 357 V CA 2.412 64.546 62.300 -0.277 0.000 1.027 357 V CB -1.180 30.340 31.823 -0.505 0.000 0.646 357 V HN 0.739 nan 8.190 nan 0.000 0.447 358 H N -0.205 118.782 119.070 -0.139 0.000 2.293 358 H HA -0.200 4.355 4.556 -0.000 0.000 0.300 358 H C 2.458 177.718 175.328 -0.114 0.000 1.082 358 H CA 1.813 57.793 56.048 -0.113 0.000 1.308 358 H CB 0.019 29.661 29.762 -0.201 0.000 1.375 358 H HN 0.331 nan 8.280 nan 0.000 0.495 359 K N 0.283 120.652 120.400 -0.052 0.000 1.991 359 K HA -0.208 4.112 4.320 -0.000 0.000 0.212 359 K C 1.883 178.436 176.600 -0.079 0.000 1.049 359 K CA 1.714 57.919 56.287 -0.136 0.000 0.932 359 K CB -0.010 32.324 32.500 -0.278 0.000 0.717 359 K HN 0.393 nan 8.250 nan 0.000 0.441 360 H N 0.031 119.114 119.070 0.021 0.000 2.462 360 H HA -0.026 4.530 4.556 -0.000 0.000 0.292 360 H C 2.415 177.773 175.328 0.050 0.000 1.049 360 H CA 1.511 57.576 56.048 0.028 0.000 1.334 360 H CB -0.153 29.622 29.762 0.020 0.000 1.404 360 H HN 0.423 nan 8.280 nan 0.000 0.544 361 S N 0.694 116.500 115.700 0.178 0.000 2.406 361 S HA -0.075 4.395 4.470 -0.000 0.000 0.228 361 S C 2.116 176.797 174.600 0.136 0.000 1.020 361 S CA 0.398 58.695 58.200 0.162 0.000 0.965 361 S CB 0.024 63.336 63.200 0.187 0.000 0.798 361 S HN 0.281 nan 8.310 nan 0.000 0.488 362 R N 1.032 121.607 120.500 0.126 0.000 2.073 362 R HA 0.139 4.479 4.340 -0.000 0.000 0.234 362 R C 2.386 178.731 176.300 0.075 0.000 1.134 362 R CA 1.569 57.726 56.100 0.094 0.000 0.952 362 R CB -0.802 29.532 30.300 0.056 0.000 0.850 362 R HN 0.379 nan 8.270 nan 0.000 0.433 363 L N 0.646 121.919 121.223 0.082 0.000 2.129 363 L HA -0.204 4.135 4.340 -0.000 0.000 0.212 363 L C 2.260 179.170 176.870 0.067 0.000 1.087 363 L CA 0.709 55.597 54.840 0.080 0.000 0.757 363 L CB -0.364 41.767 42.059 0.121 0.000 0.896 363 L HN 0.211 nan 8.230 nan 0.000 0.434 364 L N -0.585 120.682 121.223 0.073 0.000 2.478 364 L HA -0.055 4.285 4.340 -0.000 0.000 0.223 364 L C 2.260 179.147 176.870 0.027 0.000 1.140 364 L CA 1.370 56.238 54.840 0.046 0.000 0.842 364 L CB -0.411 41.679 42.059 0.052 0.000 0.953 364 L HN 0.039 nan 8.230 nan 0.000 0.452 365 R N -1.297 119.225 120.500 0.037 0.000 2.265 365 R HA 0.231 4.571 4.340 -0.000 0.000 0.194 365 R C 0.275 176.595 176.300 0.033 0.000 0.931 365 R CA 0.150 56.268 56.100 0.029 0.000 1.032 365 R CB 0.391 30.716 30.300 0.042 0.000 0.980 365 R HN 0.342 nan 8.270 nan 0.000 0.497 366 Q N 0.000 119.821 119.800 0.034 0.000 2.315 366 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 366 Q CA 0.000 55.821 55.803 0.030 0.000 1.022 366 Q CB 0.000 28.756 28.738 0.030 0.000 1.108 366 Q HN 0.000 nan 8.270 nan 0.000 0.481