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 1jpi_1_A DATA FIRST_RESID 10 DATA SEQUENCE GFPELKNDTF LRAAWGEETD YTPVWCMRQA GRYLPEFRET RAAQDFFSTC DATA SEQUENCE RSPEACCELT LQPLRRFPLD AAIIFSDILV VPQALGMEVT MVPGKGPSFP DATA SEQUENCE EPLREEQDLE RLRDPEVVAS ELGYVFQAIT LTRQRLAGRV PLIGFAGAPW DATA SEQUENCE TLMTYMVEGG GSSTMAQAKR WLYQRPQASH QLLRILTDAL VPYLVGQVVA DATA SEQUENCE GAQALQLFES HAGHLGPQLF NKLALPYIRD VAKQVKARLR EAGLAPVPMI DATA SEQUENCE IFAKDGHFAL EELAQAGYEV VGLDWTVAPK KARECVGKTV TLQGNLDPCA DATA SEQUENCE LYASEEEIGQ LVKQMLDDFG PHRYIANLGH GLYPDMDPEH VGAFVDAVHK DATA SEQUENCE HSRLLRQ 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 10 G HA2 0.000 nan 3.960 nan 0.000 0.244 10 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 10 G C 0.000 174.673 174.900 -0.378 0.000 0.946 10 G CA 0.000 44.941 45.100 -0.265 0.000 0.502 11 F N 0.398 120.352 119.950 0.006 0.000 2.557 11 F HA 0.663 5.189 4.527 -0.000 0.000 0.336 11 F C -1.735 174.071 175.800 0.010 0.000 1.058 11 F CA -2.387 55.618 58.000 0.009 0.000 0.988 11 F CB 1.077 40.082 39.000 0.010 0.000 1.275 11 F HN -0.138 nan 8.300 nan 0.000 0.488 12 P HA 0.032 nan 4.420 nan 0.000 0.269 12 P C -0.974 176.392 177.300 0.110 0.000 1.215 12 P CA -0.362 62.812 63.100 0.123 0.000 0.780 12 P CB 0.468 32.228 31.700 0.100 0.000 0.898 13 E N 1.563 121.807 120.200 0.075 0.000 2.338 13 E HA 0.116 4.465 4.350 -0.000 0.000 0.272 13 E C -0.584 176.049 176.600 0.053 0.000 1.029 13 E CA -0.735 55.702 56.400 0.062 0.000 0.872 13 E CB 0.370 30.098 29.700 0.046 0.000 1.015 13 E HN 0.232 nan 8.360 nan 0.000 0.417 14 L N 5.378 126.632 121.223 0.051 0.000 2.462 14 L HA 0.003 4.343 4.340 -0.000 0.000 0.272 14 L C 0.730 177.627 176.870 0.044 0.000 1.166 14 L CA 0.876 55.744 54.840 0.046 0.000 0.880 14 L CB 0.497 42.586 42.059 0.049 0.000 1.142 14 L HN 0.639 nan 8.230 nan 0.000 0.473 15 K N 2.675 123.100 120.400 0.042 0.000 2.063 15 K HA 0.058 4.378 4.320 -0.000 0.000 0.204 15 K C 0.362 176.993 176.600 0.050 0.000 1.039 15 K CA 0.510 56.822 56.287 0.041 0.000 0.957 15 K CB 0.029 32.550 32.500 0.035 0.000 0.764 15 K HN 0.534 nan 8.250 nan 0.000 0.447 16 N N 2.022 120.758 118.700 0.059 0.000 2.457 16 N HA -0.013 4.726 4.740 -0.000 0.000 0.250 16 N C -1.123 174.439 175.510 0.087 0.000 0.982 16 N CA -0.211 52.887 53.050 0.081 0.000 0.941 16 N CB 1.055 39.600 38.487 0.097 0.000 1.120 16 N HN 0.133 nan 8.380 nan 0.000 0.505 17 D N 1.730 122.180 120.400 0.083 0.000 2.538 17 D HA 0.072 4.712 4.640 -0.000 0.000 0.231 17 D C 0.446 176.792 176.300 0.077 0.000 1.229 17 D CA -0.132 53.924 54.000 0.093 0.000 0.828 17 D CB -0.181 40.669 40.800 0.082 0.000 1.035 17 D HN 0.327 nan 8.370 nan 0.000 0.495 18 T N 0.331 114.915 114.554 0.049 0.000 2.699 18 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 18 T C 1.338 176.022 174.700 -0.028 0.000 1.036 18 T CA 1.285 63.345 62.100 -0.067 0.000 1.147 18 T CB -0.564 68.147 68.868 -0.262 0.000 0.862 18 T HN 0.300 nan 8.240 nan 0.000 0.446 19 F N 1.638 121.546 119.950 -0.069 0.000 2.126 19 F HA -0.050 4.477 4.527 -0.000 0.000 0.299 19 F C 1.907 177.663 175.800 -0.073 0.000 1.096 19 F CA 1.164 59.121 58.000 -0.072 0.000 1.255 19 F CB -0.449 38.502 39.000 -0.082 0.000 0.997 19 F HN 0.062 nan 8.300 nan 0.000 0.479 20 L N -0.188 121.003 121.223 -0.053 0.000 2.056 20 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 20 L C 2.693 179.551 176.870 -0.021 0.000 1.078 20 L CA 1.221 55.994 54.840 -0.112 0.000 0.749 20 L CB -0.619 41.524 42.059 0.139 0.000 0.901 20 L HN 0.050 nan 8.230 nan 0.000 0.433 21 R N -0.031 120.490 120.500 0.034 0.000 2.066 21 R HA -0.119 4.221 4.340 -0.000 0.000 0.232 21 R C 2.444 178.749 176.300 0.008 0.000 1.131 21 R CA 1.350 57.497 56.100 0.078 0.000 0.955 21 R CB -0.480 29.839 30.300 0.032 0.000 0.851 21 R HN 0.329 nan 8.270 nan 0.000 0.432 22 A N 1.246 124.003 122.820 -0.106 0.000 1.933 22 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 22 A C 2.355 179.832 177.584 -0.178 0.000 1.175 22 A CA 1.688 53.649 52.037 -0.127 0.000 0.628 22 A CB -0.595 18.302 19.000 -0.172 0.000 0.814 22 A HN 0.410 nan 8.150 nan 0.000 0.444 23 A N -1.540 121.058 122.820 -0.371 0.000 1.933 23 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 23 A C 1.888 179.252 177.584 -0.367 0.000 1.175 23 A CA 1.237 52.972 52.037 -0.504 0.000 0.628 23 A CB -0.833 17.643 19.000 -0.873 0.000 0.814 23 A HN 0.775 nan 8.150 nan 0.000 0.444 24 W N -1.476 119.742 121.300 -0.137 0.000 3.047 24 W HA 0.349 5.009 4.660 -0.000 0.000 0.250 24 W C 1.606 178.094 176.519 -0.051 0.000 1.314 24 W CA 0.608 57.905 57.345 -0.079 0.000 1.540 24 W CB 0.298 29.716 29.460 -0.070 0.000 1.127 24 W HN 0.570 nan 8.180 nan 0.000 0.679 25 G N 0.340 109.217 108.800 0.129 0.000 2.159 25 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.227 25 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.227 25 G C -0.017 174.931 174.900 0.080 0.000 0.986 25 G CA -0.464 44.692 45.100 0.093 0.000 0.651 25 G HN 0.302 nan 8.290 nan 0.000 0.523 26 E N 0.646 120.896 120.200 0.082 0.000 2.349 26 E HA 0.429 4.779 4.350 -0.000 0.000 0.262 26 E C 0.091 176.718 176.600 0.045 0.000 1.088 26 E CA -0.623 55.810 56.400 0.055 0.000 0.899 26 E CB 0.741 30.472 29.700 0.052 0.000 1.044 26 E HN 0.228 nan 8.360 nan 0.000 0.420 27 E N 1.415 121.642 120.200 0.046 0.000 2.373 27 E HA 0.108 4.458 4.350 -0.000 0.000 0.267 27 E C -0.261 176.352 176.600 0.020 0.000 1.032 27 E CA 0.102 56.538 56.400 0.062 0.000 0.889 27 E CB 1.228 30.972 29.700 0.073 0.000 0.984 27 E HN 0.544 nan 8.360 nan 0.000 0.425 28 T N -1.332 113.221 114.554 -0.001 0.000 2.906 28 T HA 0.265 4.615 4.350 -0.000 0.000 0.295 28 T C 0.374 175.052 174.700 -0.036 0.000 1.061 28 T CA -0.891 61.169 62.100 -0.067 0.000 1.000 28 T CB 1.265 70.015 68.868 -0.196 0.000 1.103 28 T HN 0.019 nan 8.240 nan 0.000 0.486 29 D N 0.079 120.472 120.400 -0.012 0.000 2.218 29 D HA 0.087 4.726 4.640 -0.000 0.000 0.204 29 D C 0.457 176.870 176.300 0.188 0.000 0.976 29 D CA 1.861 55.924 54.000 0.104 0.000 0.853 29 D CB -0.229 40.679 40.800 0.181 0.000 0.939 29 D HN 0.768 nan 8.370 nan 0.000 0.481 30 Y N -3.607 116.707 120.300 0.024 0.000 2.689 30 Y HA 0.480 5.030 4.550 -0.000 0.000 0.333 30 Y C -0.767 175.163 175.900 0.050 0.000 1.208 30 Y CA -1.363 56.758 58.100 0.034 0.000 1.055 30 Y CB 0.690 39.155 38.460 0.009 0.000 1.304 30 Y HN -0.447 nan 8.280 nan 0.000 0.455 31 T N 5.040 119.688 114.554 0.157 0.000 2.749 31 T HA 0.342 4.691 4.350 -0.000 0.000 0.295 31 T C -2.626 172.138 174.700 0.107 0.000 0.936 31 T CA -1.169 60.944 62.100 0.022 0.000 1.060 31 T CB 0.665 69.561 68.868 0.045 0.000 0.904 31 T HN 0.392 nan 8.240 nan 0.000 0.500 32 P HA 0.339 nan 4.420 nan 0.000 0.275 32 P C -0.831 176.540 177.300 0.119 0.000 1.228 32 P CA -0.371 62.813 63.100 0.141 0.000 0.786 32 P CB 1.142 32.893 31.700 0.086 0.000 0.927 33 V N 4.533 124.564 119.914 0.195 0.000 2.888 33 V HA 0.808 4.928 4.120 -0.000 0.000 0.309 33 V C -1.706 174.516 176.094 0.214 0.000 1.114 33 V CA -0.500 61.829 62.300 0.048 0.000 0.940 33 V CB 1.872 33.521 31.823 -0.290 0.000 1.021 33 V HN 0.830 nan 8.190 nan 0.000 0.426 34 W N 4.436 125.709 121.300 -0.044 0.000 3.074 34 W HA 0.731 5.390 4.660 -0.000 0.000 0.332 34 W C -2.217 174.302 176.519 0.000 0.000 1.253 34 W CA -1.168 56.156 57.345 -0.034 0.000 1.180 34 W CB 1.006 30.403 29.460 -0.106 0.000 1.445 34 W HN 0.665 nan 8.180 nan 0.000 0.573 35 C N 2.852 122.157 119.300 0.007 0.000 2.408 35 C HA 0.519 4.979 4.460 -0.000 0.000 0.321 35 C C 0.724 175.540 174.990 -0.290 0.000 1.245 35 C CA -0.566 58.279 59.018 -0.289 0.000 1.523 35 C CB 0.842 28.476 27.740 -0.178 0.000 2.178 35 C HN 0.615 nan 8.230 nan 0.000 0.488 36 M N 2.928 122.195 119.600 -0.555 0.000 2.252 36 M HA 0.147 4.627 4.480 -0.000 0.000 0.348 36 M C 0.964 177.154 176.300 -0.184 0.000 1.334 36 M CA 0.947 56.065 55.300 -0.305 0.000 1.071 36 M CB 0.152 32.551 32.600 -0.335 0.000 1.763 36 M HN 0.752 nan 8.290 nan 0.000 0.452 37 R N 0.944 121.405 120.500 -0.066 0.000 3.656 37 R HA -0.224 4.116 4.340 -0.000 0.000 0.297 37 R C 1.089 177.413 176.300 0.041 0.000 1.166 37 R CA 0.961 57.032 56.100 -0.050 0.000 0.799 37 R CB -1.798 28.420 30.300 -0.136 0.000 1.285 37 R HN 0.889 nan 8.270 nan 0.000 0.477 38 Q N -0.668 119.211 119.800 0.133 0.000 2.226 38 Q HA -0.011 4.329 4.340 -0.000 0.000 0.204 38 Q C 0.761 176.996 176.000 0.392 0.000 0.975 38 Q CA 1.609 57.568 55.803 0.260 0.000 0.866 38 Q CB 0.213 29.122 28.738 0.285 0.000 0.915 38 Q HN 0.413 nan 8.270 nan 0.000 0.440 39 A N 1.198 124.184 122.820 0.278 0.000 2.621 39 A HA 0.635 4.955 4.320 -0.000 0.000 0.329 39 A C -0.043 177.524 177.584 -0.028 0.000 1.458 39 A CA 0.063 52.247 52.037 0.245 0.000 1.052 39 A CB 0.226 19.468 19.000 0.404 0.000 1.142 39 A HN 0.380 nan 8.150 nan 0.000 0.523 40 G N 0.234 108.828 108.800 -0.342 0.000 2.708 40 G HA2 0.451 4.411 3.960 -0.000 0.000 0.289 40 G HA3 0.451 4.411 3.960 -0.000 0.000 0.289 40 G C 0.339 174.654 174.900 -0.976 0.000 1.416 40 G CA -0.829 43.791 45.100 -0.800 0.000 0.829 40 G HN 0.496 nan 8.290 nan 0.000 0.480 41 R N -0.771 119.302 120.500 -0.712 0.000 2.261 41 R HA -0.165 4.175 4.340 -0.000 0.000 0.236 41 R C 1.990 178.274 176.300 -0.027 0.000 1.141 41 R CA 1.815 57.809 56.100 -0.176 0.000 1.001 41 R CB -0.458 29.860 30.300 0.030 0.000 0.866 41 R HN 0.734 nan 8.270 nan 0.000 0.468 42 Y N -0.404 119.830 120.300 -0.109 0.000 2.497 42 Y HA 0.044 4.594 4.550 -0.000 0.000 0.292 42 Y C 0.552 176.460 175.900 0.013 0.000 1.137 42 Y CA 0.098 58.180 58.100 -0.030 0.000 1.285 42 Y CB -0.111 38.323 38.460 -0.044 0.000 0.991 42 Y HN -0.124 nan 8.280 nan 0.000 0.556 43 L N 2.812 123.612 121.223 -0.705 0.000 2.260 43 L HA 0.236 4.576 4.340 -0.000 0.000 0.289 43 L C -1.564 175.218 176.870 -0.146 0.000 1.057 43 L CA -2.065 52.474 54.840 -0.501 0.000 0.811 43 L CB 1.354 43.085 42.059 -0.546 0.000 1.184 43 L HN -0.072 nan 8.230 nan 0.000 0.429 44 P HA -0.223 nan 4.420 nan 0.000 0.216 44 P C 1.261 178.543 177.300 -0.031 0.000 1.153 44 P CA 1.086 64.165 63.100 -0.035 0.000 0.858 44 P CB 0.138 31.817 31.700 -0.036 0.000 0.789 45 E N -0.755 119.412 120.200 -0.055 0.000 2.204 45 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 45 E C 1.941 178.499 176.600 -0.069 0.000 0.990 45 E CA 1.080 57.439 56.400 -0.067 0.000 0.821 45 E CB -1.404 28.247 29.700 -0.081 0.000 0.750 45 E HN 0.300 nan 8.360 nan 0.000 0.477 46 F N 2.313 122.154 119.950 -0.182 0.000 2.163 46 F HA -0.008 4.519 4.527 -0.000 0.000 0.297 46 F C 2.469 178.162 175.800 -0.179 0.000 1.094 46 F CA 1.327 59.205 58.000 -0.204 0.000 1.290 46 F CB 0.068 38.947 39.000 -0.203 0.000 1.017 46 F HN -0.169 nan 8.300 nan 0.000 0.483 47 R N 0.173 120.711 120.500 0.064 0.000 2.075 47 R HA -0.169 4.170 4.340 -0.000 0.000 0.232 47 R C 2.255 178.476 176.300 -0.131 0.000 1.126 47 R CA 1.636 57.732 56.100 -0.008 0.000 0.963 47 R CB -0.669 29.669 30.300 0.063 0.000 0.858 47 R HN 0.435 nan 8.270 nan 0.000 0.435 48 E N 0.314 120.442 120.200 -0.119 0.000 2.031 48 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 48 E C 1.487 177.979 176.600 -0.181 0.000 0.994 48 E CA 1.772 58.098 56.400 -0.123 0.000 0.800 48 E CB 0.108 29.751 29.700 -0.096 0.000 0.752 48 E HN 0.214 nan 8.360 nan 0.000 0.447 49 T N 0.908 115.314 114.554 -0.248 0.000 2.746 49 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 49 T C 1.880 176.358 174.700 -0.369 0.000 1.039 49 T CA 0.786 62.709 62.100 -0.296 0.000 1.142 49 T CB -0.145 68.514 68.868 -0.348 0.000 0.866 49 T HN 0.032 nan 8.240 nan 0.000 0.444 50 R N 1.246 121.435 120.500 -0.518 0.000 2.148 50 R HA 0.154 4.494 4.340 -0.000 0.000 0.227 50 R C 2.220 178.346 176.300 -0.290 0.000 1.103 50 R CA 0.974 56.758 56.100 -0.526 0.000 0.983 50 R CB -0.742 29.125 30.300 -0.722 0.000 0.874 50 R HN 0.403 nan 8.270 nan 0.000 0.451 51 A N 0.059 122.752 122.820 -0.212 0.000 2.255 51 A HA 0.142 4.462 4.320 -0.000 0.000 0.206 51 A C 2.001 179.518 177.584 -0.112 0.000 1.193 51 A CA 0.936 52.897 52.037 -0.128 0.000 0.794 51 A CB -0.310 18.634 19.000 -0.092 0.000 0.794 51 A HN 0.317 nan 8.150 nan 0.000 0.481 52 A N -1.027 121.710 122.820 -0.139 0.000 1.877 52 A HA 0.058 4.378 4.320 -0.000 0.000 0.216 52 A C 1.367 178.901 177.584 -0.083 0.000 1.186 52 A CA 1.537 53.508 52.037 -0.110 0.000 0.620 52 A CB -0.061 18.863 19.000 -0.127 0.000 0.822 52 A HN 0.623 nan 8.150 nan 0.000 0.443 53 Q N -1.971 117.776 119.800 -0.089 0.000 2.870 53 Q HA 0.214 4.554 4.340 -0.000 0.000 0.366 53 Q C -1.337 174.633 176.000 -0.049 0.000 0.738 53 Q CA -0.528 55.241 55.803 -0.056 0.000 0.870 53 Q CB 0.658 29.367 28.738 -0.047 0.000 1.237 53 Q HN 0.586 nan 8.270 nan 0.000 0.497 54 D N 0.101 120.495 120.400 -0.011 0.000 2.393 54 D HA -0.010 4.630 4.640 -0.000 0.000 0.246 54 D C 0.657 176.966 176.300 0.015 0.000 1.275 54 D CA -0.237 53.781 54.000 0.030 0.000 0.979 54 D CB 0.632 41.481 40.800 0.081 0.000 1.101 54 D HN 0.395 nan 8.370 nan 0.000 0.505 55 F N 0.115 119.989 119.950 -0.126 0.000 2.026 55 F HA -0.083 4.444 4.527 -0.000 0.000 0.296 55 F C 1.220 176.815 175.800 -0.342 0.000 1.133 55 F CA 1.074 58.898 58.000 -0.294 0.000 1.188 55 F CB -0.402 38.285 39.000 -0.523 0.000 0.968 55 F HN 0.195 nan 8.300 nan 0.000 0.476 56 F N 0.275 120.439 119.950 0.356 0.000 2.666 56 F HA 0.213 4.740 4.527 -0.000 0.000 0.362 56 F C 1.246 177.048 175.800 0.003 0.000 1.190 56 F CA 0.515 58.621 58.000 0.175 0.000 1.328 56 F CB -0.138 38.928 39.000 0.110 0.000 1.682 56 F HN 0.029 nan 8.300 nan 0.000 0.623 57 S N -1.291 114.440 115.700 0.052 0.000 2.501 57 S HA -0.041 4.429 4.470 -0.000 0.000 0.250 57 S C 1.527 176.089 174.600 -0.062 0.000 0.959 57 S CA 0.271 58.461 58.200 -0.016 0.000 1.250 57 S CB -0.101 63.096 63.200 -0.005 0.000 0.933 57 S HN 0.253 nan 8.310 nan 0.000 0.420 58 T N 0.187 114.676 114.554 -0.109 0.000 3.107 58 T HA 0.186 4.536 4.350 -0.000 0.000 0.249 58 T C 1.238 175.856 174.700 -0.137 0.000 1.096 58 T CA 0.715 62.717 62.100 -0.163 0.000 1.012 58 T CB 0.098 68.809 68.868 -0.261 0.000 0.977 58 T HN 0.510 nan 8.240 nan 0.000 0.527 59 C N 0.789 120.049 119.300 -0.066 0.000 2.964 59 C HA 0.318 4.778 4.460 -0.000 0.000 0.358 59 C C 2.334 177.425 174.990 0.168 0.000 1.289 59 C CA -0.231 58.840 59.018 0.089 0.000 1.856 59 C CB -0.503 27.277 27.740 0.067 0.000 2.488 59 C HN 0.390 nan 8.230 nan 0.000 0.604 60 R N 0.669 121.158 120.500 -0.018 0.000 2.313 60 R HA 0.067 4.407 4.340 -0.000 0.000 0.199 60 R C 0.614 176.902 176.300 -0.019 0.000 0.958 60 R CA 0.299 56.266 56.100 -0.222 0.000 1.047 60 R CB 0.043 30.099 30.300 -0.407 0.000 0.955 60 R HN 0.400 nan 8.270 nan 0.000 0.481 61 S N 0.956 116.672 115.700 0.027 0.000 2.423 61 S HA 0.238 4.708 4.470 -0.000 0.000 0.317 61 S C -1.932 172.712 174.600 0.073 0.000 1.065 61 S CA -2.032 56.187 58.200 0.032 0.000 1.111 61 S CB 1.322 64.513 63.200 -0.015 0.000 0.968 61 S HN -0.121 nan 8.310 nan 0.000 0.474 62 P HA -0.169 nan 4.420 nan 0.000 0.216 62 P C 1.378 178.719 177.300 0.069 0.000 1.157 62 P CA 1.206 64.370 63.100 0.107 0.000 0.880 62 P CB 0.168 31.930 31.700 0.105 0.000 0.791 63 E N -0.842 119.383 120.200 0.040 0.000 2.118 63 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 63 E C 2.027 178.621 176.600 -0.010 0.000 0.992 63 E CA 1.503 57.912 56.400 0.016 0.000 0.804 63 E CB -0.703 28.998 29.700 0.003 0.000 0.741 63 E HN 0.194 nan 8.360 nan 0.000 0.458 64 A N 0.760 123.564 122.820 -0.026 0.000 1.873 64 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 64 A C 2.613 180.146 177.584 -0.085 0.000 1.186 64 A CA 1.269 53.255 52.037 -0.084 0.000 0.616 64 A CB -0.821 18.113 19.000 -0.111 0.000 0.823 64 A HN 0.333 nan 8.150 nan 0.000 0.442 65 C N -1.543 117.766 119.300 0.015 0.000 2.425 65 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 65 C C 2.973 178.024 174.990 0.101 0.000 1.280 65 C CA 0.630 59.721 59.018 0.121 0.000 1.744 65 C CB -1.724 26.156 27.740 0.232 0.000 1.989 65 C HN 0.788 nan 8.230 nan 0.000 0.491 66 C N 1.396 120.736 119.300 0.067 0.000 2.432 66 C HA -0.140 4.320 4.460 -0.000 0.000 0.277 66 C C 2.795 177.799 174.990 0.024 0.000 1.249 66 C CA 2.086 61.138 59.018 0.056 0.000 1.725 66 C CB -1.336 26.432 27.740 0.046 0.000 2.028 66 C HN 0.687 nan 8.230 nan 0.000 0.477 67 E N 0.610 120.799 120.200 -0.018 0.000 2.077 67 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 67 E C 2.016 178.579 176.600 -0.061 0.000 0.989 67 E CA 1.665 58.036 56.400 -0.048 0.000 0.800 67 E CB -0.619 29.032 29.700 -0.082 0.000 0.746 67 E HN 0.722 nan 8.360 nan 0.000 0.452 68 L N 0.090 121.247 121.223 -0.110 0.000 2.046 68 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 68 L C 2.480 179.384 176.870 0.055 0.000 1.077 68 L CA 1.717 56.476 54.840 -0.134 0.000 0.747 68 L CB -0.649 41.121 42.059 -0.482 0.000 0.896 68 L HN 0.229 nan 8.230 nan 0.000 0.432 69 T N 0.196 114.818 114.554 0.113 0.000 2.746 69 T HA -0.140 4.209 4.350 -0.000 0.000 0.267 69 T C 1.898 176.655 174.700 0.096 0.000 1.039 69 T CA 1.204 63.398 62.100 0.157 0.000 1.142 69 T CB -0.188 68.767 68.868 0.145 0.000 0.866 69 T HN 0.211 nan 8.240 nan 0.000 0.444 70 L N 0.601 121.855 121.223 0.051 0.000 2.313 70 L HA -0.012 4.328 4.340 -0.000 0.000 0.214 70 L C 2.799 179.677 176.870 0.012 0.000 1.119 70 L CA 0.773 55.629 54.840 0.027 0.000 0.809 70 L CB -0.609 41.456 42.059 0.009 0.000 0.933 70 L HN 0.282 nan 8.230 nan 0.000 0.449 71 Q N 0.480 120.284 119.800 0.007 0.000 2.062 71 Q HA -0.208 4.132 4.340 -0.000 0.000 0.209 71 Q C -0.451 175.527 176.000 -0.038 0.000 0.996 71 Q CA 2.084 57.872 55.803 -0.024 0.000 0.859 71 Q CB -1.102 27.621 28.738 -0.025 0.000 0.920 71 Q HN 0.451 nan 8.270 nan 0.000 0.415 72 P HA -0.158 nan 4.420 nan 0.000 0.218 72 P C 1.175 178.493 177.300 0.031 0.000 1.149 72 P CA 1.184 64.338 63.100 0.091 0.000 0.817 72 P CB -0.069 31.806 31.700 0.292 0.000 0.785 73 L N -0.760 120.492 121.223 0.048 0.000 2.275 73 L HA -0.051 4.289 4.340 -0.000 0.000 0.215 73 L C 2.818 179.669 176.870 -0.032 0.000 1.119 73 L CA 1.091 55.955 54.840 0.039 0.000 0.790 73 L CB -0.511 41.573 42.059 0.041 0.000 0.919 73 L HN -0.082 nan 8.230 nan 0.000 0.443 74 R N -0.645 119.803 120.500 -0.088 0.000 2.153 74 R HA -0.021 4.319 4.340 -0.000 0.000 0.218 74 R C 2.212 178.392 176.300 -0.201 0.000 1.072 74 R CA 0.614 56.647 56.100 -0.112 0.000 0.990 74 R CB 0.005 30.244 30.300 -0.102 0.000 0.889 74 R HN 0.343 nan 8.270 nan 0.000 0.452 75 R N -0.507 119.755 120.500 -0.397 0.000 2.105 75 R HA 0.137 4.477 4.340 -0.000 0.000 0.214 75 R C -0.054 175.844 176.300 -0.670 0.000 1.091 75 R CA 0.688 56.352 56.100 -0.727 0.000 1.007 75 R CB 0.384 29.829 30.300 -1.425 0.000 0.912 75 R HN 0.010 nan 8.270 nan 0.000 0.450 76 F N 0.673 120.661 119.950 0.064 0.000 2.563 76 F HA 0.368 4.895 4.527 -0.000 0.000 0.316 76 F C -1.997 173.846 175.800 0.071 0.000 1.076 76 F CA -2.952 55.088 58.000 0.067 0.000 0.921 76 F CB 1.515 40.563 39.000 0.080 0.000 1.209 76 F HN -0.226 nan 8.300 nan 0.000 0.462 77 P HA 0.121 nan 4.420 nan 0.000 0.225 77 P C -0.429 177.028 177.300 0.263 0.000 1.768 77 P CA 0.276 63.496 63.100 0.201 0.000 0.943 77 P CB -0.201 31.599 31.700 0.167 0.000 1.936 78 L N 0.887 122.252 121.223 0.237 0.000 2.461 78 L HA 0.092 4.432 4.340 -0.000 0.000 0.272 78 L C 1.480 178.467 176.870 0.194 0.000 1.197 78 L CA 0.309 55.281 54.840 0.219 0.000 0.836 78 L CB 0.291 42.484 42.059 0.223 0.000 1.105 78 L HN 0.056 nan 8.230 nan 0.000 0.477 79 D N 1.865 122.393 120.400 0.215 0.000 2.325 79 D HA 0.326 4.966 4.640 -0.000 0.000 0.225 79 D C 0.091 176.391 176.300 0.001 0.000 1.096 79 D CA 0.330 54.441 54.000 0.185 0.000 0.844 79 D CB 0.740 41.730 40.800 0.316 0.000 0.925 79 D HN 0.555 nan 8.370 nan 0.000 0.513 80 A N 0.118 122.863 122.820 -0.125 0.000 2.583 80 A HA 0.651 4.971 4.320 -0.000 0.000 0.292 80 A C -1.660 175.735 177.584 -0.315 0.000 1.045 80 A CA -0.546 51.231 52.037 -0.434 0.000 0.672 80 A CB 1.173 19.457 19.000 -1.193 0.000 1.283 80 A HN 0.046 nan 8.150 nan 0.000 0.419 81 A N 0.339 122.960 122.820 -0.331 0.000 2.374 81 A HA 0.842 5.162 4.320 -0.000 0.000 0.317 81 A C -0.995 176.427 177.584 -0.269 0.000 1.094 81 A CA -0.413 51.515 52.037 -0.181 0.000 0.765 81 A CB 1.037 19.991 19.000 -0.076 0.000 1.268 81 A HN 1.917 nan 8.150 nan 0.000 0.438 82 I N 2.195 122.686 120.570 -0.132 0.000 2.433 82 I HA 0.400 4.570 4.170 -0.000 0.000 0.292 82 I C -0.175 176.003 176.117 0.103 0.000 1.001 82 I CA -0.982 60.265 61.300 -0.089 0.000 1.119 82 I CB 1.215 39.159 38.000 -0.093 0.000 1.289 82 I HN 0.677 nan 8.210 nan 0.000 0.438 83 I N 7.364 128.024 120.570 0.151 0.000 2.815 83 I HA -0.048 4.122 4.170 -0.000 0.000 0.291 83 I C -0.764 175.550 176.117 0.329 0.000 1.209 83 I CA 0.413 61.840 61.300 0.211 0.000 1.431 83 I CB 0.210 38.303 38.000 0.155 0.000 1.351 83 I HN 0.633 nan 8.210 nan 0.000 0.585 84 F N 7.852 127.927 119.950 0.209 0.000 2.420 84 F HA 0.399 4.926 4.527 -0.000 0.000 0.352 84 F C 0.275 176.227 175.800 0.253 0.000 1.108 84 F CA 0.500 58.641 58.000 0.235 0.000 1.162 84 F CB 0.778 39.879 39.000 0.168 0.000 1.118 84 F HN 0.572 nan 8.300 nan 0.000 0.510 85 S N 3.554 118.929 115.700 -0.542 0.000 2.930 85 S HA 0.400 4.870 4.470 -0.000 0.000 0.306 85 S C -2.272 172.241 174.600 -0.145 0.000 1.238 85 S CA -0.630 57.418 58.200 -0.253 0.000 1.000 85 S CB 0.991 64.141 63.200 -0.083 0.000 1.342 85 S HN 0.727 nan 8.310 nan 0.000 0.575 86 D N -0.040 120.435 120.400 0.125 0.000 2.947 86 D HA 0.400 5.040 4.640 -0.000 0.000 0.224 86 D C 0.841 177.238 176.300 0.161 0.000 1.230 86 D CA -0.343 53.777 54.000 0.200 0.000 0.871 86 D CB 1.275 42.247 40.800 0.288 0.000 1.671 86 D HN 0.451 nan 8.370 nan 0.000 0.507 87 I N 1.413 122.082 120.570 0.165 0.000 2.567 87 I HA -0.025 4.145 4.170 -0.000 0.000 0.257 87 I C 1.429 177.562 176.117 0.027 0.000 1.184 87 I CA 1.107 62.484 61.300 0.129 0.000 1.451 87 I CB -0.416 37.651 38.000 0.111 0.000 1.089 87 I HN 0.426 nan 8.210 nan 0.000 0.441 88 L N 1.014 122.224 121.223 -0.022 0.000 2.610 88 L HA 0.004 4.344 4.340 -0.000 0.000 0.232 88 L C 2.518 179.430 176.870 0.070 0.000 1.149 88 L CA 0.643 55.484 54.840 0.002 0.000 0.872 88 L CB -0.543 41.450 42.059 -0.111 0.000 0.992 88 L HN 0.449 nan 8.230 nan 0.000 0.447 89 V N -3.994 115.974 119.914 0.090 0.000 2.490 89 V HA -0.164 3.956 4.120 -0.000 0.000 0.250 89 V C 2.217 178.249 176.094 -0.103 0.000 1.061 89 V CA 1.230 63.561 62.300 0.052 0.000 1.064 89 V CB -0.647 31.211 31.823 0.058 0.000 0.670 89 V HN 0.167 nan 8.190 nan 0.000 0.461 90 V N 0.789 120.622 119.914 -0.136 0.000 2.270 90 V HA -0.064 4.056 4.120 -0.000 0.000 0.245 90 V C 0.542 176.579 176.094 -0.095 0.000 1.043 90 V CA 2.634 64.826 62.300 -0.181 0.000 1.014 90 V CB -1.831 29.920 31.823 -0.121 0.000 0.645 90 V HN 0.491 nan 8.190 nan 0.000 0.447 91 P HA -0.194 nan 4.420 nan 0.000 0.216 91 P C 1.788 179.065 177.300 -0.038 0.000 1.150 91 P CA 1.493 64.562 63.100 -0.052 0.000 0.837 91 P CB 0.007 31.718 31.700 0.019 0.000 0.786 92 Q N -0.276 119.533 119.800 0.016 0.000 2.020 92 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 92 Q C 2.049 178.003 176.000 -0.075 0.000 0.982 92 Q CA 2.003 57.781 55.803 -0.042 0.000 0.838 92 Q CB -0.770 27.863 28.738 -0.175 0.000 0.899 92 Q HN 0.085 nan 8.270 nan 0.000 0.423 93 A N 0.319 123.087 122.820 -0.087 0.000 2.076 93 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 93 A C 1.856 179.395 177.584 -0.076 0.000 1.160 93 A CA 0.935 52.920 52.037 -0.088 0.000 0.653 93 A CB -0.472 18.442 19.000 -0.144 0.000 0.801 93 A HN 0.479 nan 8.150 nan 0.000 0.455 94 L N -1.782 119.393 121.223 -0.079 0.000 2.554 94 L HA 0.171 4.511 4.340 -0.000 0.000 0.226 94 L C 1.600 178.430 176.870 -0.066 0.000 1.137 94 L CA 0.676 55.474 54.840 -0.070 0.000 0.863 94 L CB 0.114 42.122 42.059 -0.084 0.000 0.985 94 L HN 0.592 nan 8.230 nan 0.000 0.451 95 G N -0.739 108.022 108.800 -0.064 0.000 2.175 95 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.182 95 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.182 95 G C 0.150 175.015 174.900 -0.058 0.000 1.003 95 G CA -0.544 44.523 45.100 -0.055 0.000 0.666 95 G HN 0.122 nan 8.290 nan 0.000 0.506 96 M N 1.544 121.105 119.600 -0.066 0.000 2.209 96 M HA 0.383 4.863 4.480 -0.000 0.000 0.355 96 M C -0.170 176.178 176.300 0.080 0.000 1.171 96 M CA -0.518 54.757 55.300 -0.043 0.000 1.069 96 M CB 1.125 33.575 32.600 -0.250 0.000 1.622 96 M HN -0.009 nan 8.290 nan 0.000 0.459 97 E N 2.775 123.029 120.200 0.089 0.000 2.289 97 E HA 0.319 4.669 4.350 -0.000 0.000 0.278 97 E C -0.920 175.726 176.600 0.076 0.000 1.032 97 E CA -0.190 56.236 56.400 0.042 0.000 0.854 97 E CB 1.442 31.150 29.700 0.014 0.000 1.046 97 E HN 0.344 nan 8.360 nan 0.000 0.409 98 V N 2.323 122.154 119.914 -0.139 0.000 2.513 98 V HA 0.359 4.479 4.120 -0.000 0.000 0.299 98 V C 0.421 176.427 176.094 -0.147 0.000 1.035 98 V CA -0.762 61.364 62.300 -0.291 0.000 0.889 98 V CB 1.776 33.268 31.823 -0.552 0.000 0.988 98 V HN 0.776 nan 8.190 nan 0.000 0.440 99 T N 1.336 115.824 114.554 -0.110 0.000 3.390 99 T HA 0.410 4.760 4.350 -0.000 0.000 0.351 99 T C -0.336 174.352 174.700 -0.021 0.000 1.759 99 T CA -0.514 61.567 62.100 -0.031 0.000 1.561 99 T CB 0.173 69.029 68.868 -0.020 0.000 1.011 99 T HN 0.386 nan 8.240 nan 0.000 0.689 100 M N 4.728 124.348 119.600 0.033 0.000 2.522 100 M HA 0.299 4.778 4.480 -0.000 0.000 0.333 100 M C -0.073 176.238 176.300 0.018 0.000 1.632 100 M CA -0.628 54.669 55.300 -0.005 0.000 1.293 100 M CB -0.538 32.047 32.600 -0.025 0.000 1.857 100 M HN 0.584 nan 8.290 nan 0.000 0.456 101 V N 5.214 125.128 119.914 -0.001 0.000 2.834 101 V HA 0.672 4.792 4.120 -0.000 0.000 0.313 101 V C -1.801 174.308 176.094 0.024 0.000 1.060 101 V CA -1.319 60.991 62.300 0.016 0.000 0.989 101 V CB 1.037 32.866 31.823 0.009 0.000 1.041 101 V HN 0.747 nan 8.190 nan 0.000 0.459 102 P HA -0.006 nan 4.420 nan 0.000 0.219 102 P C 1.380 178.700 177.300 0.033 0.000 1.150 102 P CA 1.870 64.993 63.100 0.040 0.000 0.814 102 P CB 0.101 31.822 31.700 0.035 0.000 0.787 103 G N 0.958 109.772 108.800 0.023 0.000 2.456 103 G HA2 -0.139 3.820 3.960 -0.000 0.000 0.213 103 G HA3 -0.139 3.820 3.960 -0.000 0.000 0.213 103 G C 1.653 176.564 174.900 0.019 0.000 1.215 103 G CA 0.612 45.724 45.100 0.020 0.000 0.805 103 G HN 0.233 nan 8.290 nan 0.000 0.537 104 K N -0.131 120.277 120.400 0.013 0.000 2.007 104 K HA 0.314 4.634 4.320 -0.000 0.000 0.206 104 K C 1.620 178.224 176.600 0.007 0.000 1.047 104 K CA 0.741 57.035 56.287 0.011 0.000 0.937 104 K CB -0.188 32.314 32.500 0.004 0.000 0.718 104 K HN 0.524 nan 8.250 nan 0.000 0.438 105 G N 0.638 109.433 108.800 -0.007 0.000 2.715 105 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.221 105 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.221 105 G C -2.665 172.176 174.900 -0.099 0.000 1.204 105 G CA -0.418 44.663 45.100 -0.030 0.000 1.063 105 G HN 0.111 nan 8.290 nan 0.000 0.586 106 P HA 0.462 nan 4.420 nan 0.000 0.271 106 P C -0.540 176.641 177.300 -0.198 0.000 1.233 106 P CA 1.050 64.004 63.100 -0.243 0.000 0.764 106 P CB 1.468 33.012 31.700 -0.259 0.000 0.825 107 S N 3.131 118.644 115.700 -0.312 0.000 2.535 107 S HA 0.608 5.078 4.470 -0.000 0.000 0.272 107 S C -1.754 172.610 174.600 -0.393 0.000 1.149 107 S CA -0.598 57.455 58.200 -0.245 0.000 0.888 107 S CB 0.584 63.730 63.200 -0.091 0.000 1.110 107 S HN 0.170 nan 8.310 nan 0.000 0.463 108 F N 4.711 124.657 119.950 -0.007 0.000 2.325 108 F HA 0.407 4.934 4.527 -0.000 0.000 0.369 108 F C -1.303 174.485 175.800 -0.020 0.000 1.095 108 F CA -1.819 56.164 58.000 -0.028 0.000 1.082 108 F CB 2.060 41.039 39.000 -0.035 0.000 1.289 108 F HN 0.457 nan 8.300 nan 0.000 0.462 109 P HA -0.153 nan 4.420 nan 0.000 0.221 109 P C -0.258 177.088 177.300 0.076 0.000 1.145 109 P CA 1.233 64.377 63.100 0.073 0.000 0.795 109 P CB 0.338 32.063 31.700 0.042 0.000 0.775 110 E N 0.227 120.484 120.200 0.095 0.000 2.683 110 E HA 0.340 4.690 4.350 -0.000 0.000 0.224 110 E C -2.556 174.063 176.600 0.030 0.000 1.046 110 E CA -1.982 54.450 56.400 0.054 0.000 0.811 110 E CB 0.576 30.296 29.700 0.034 0.000 1.296 110 E HN 0.244 nan 8.360 nan 0.000 0.421 111 P HA 0.136 nan 4.420 nan 0.000 0.274 111 P C -0.448 176.809 177.300 -0.071 0.000 1.246 111 P CA -0.513 62.557 63.100 -0.051 0.000 0.795 111 P CB 0.751 32.442 31.700 -0.016 0.000 1.006 112 L N 2.444 123.573 121.223 -0.156 0.000 2.380 112 L HA 0.244 4.584 4.340 -0.000 0.000 0.273 112 L C 1.521 178.417 176.870 0.042 0.000 1.138 112 L CA 0.026 54.814 54.840 -0.086 0.000 0.832 112 L CB 0.396 42.310 42.059 -0.243 0.000 1.124 112 L HN 0.416 nan 8.230 nan 0.000 0.454 113 R N 0.768 121.429 120.500 0.268 0.000 2.650 113 R HA 0.160 4.500 4.340 -0.000 0.000 0.212 113 R C -0.080 176.495 176.300 0.457 0.000 0.904 113 R CA -0.028 56.318 56.100 0.410 0.000 1.021 113 R CB 0.411 30.831 30.300 0.200 0.000 1.519 113 R HN 0.620 nan 8.270 nan 0.000 0.639 114 E N 0.985 121.362 120.200 0.295 0.000 2.235 114 E HA 0.154 4.504 4.350 -0.000 0.000 0.265 114 E C 0.553 177.215 176.600 0.104 0.000 0.940 114 E CA -0.247 56.206 56.400 0.088 0.000 0.819 114 E CB 1.773 31.499 29.700 0.042 0.000 1.206 114 E HN 0.001 nan 8.360 nan 0.000 0.409 115 E N 1.798 121.935 120.200 -0.105 0.000 2.160 115 E HA -0.293 4.057 4.350 -0.000 0.000 0.195 115 E C 1.400 178.032 176.600 0.054 0.000 0.991 115 E CA 1.185 57.551 56.400 -0.056 0.000 0.810 115 E CB 0.188 29.806 29.700 -0.136 0.000 0.742 115 E HN 0.699 nan 8.360 nan 0.000 0.466 116 Q N 0.249 120.069 119.800 0.033 0.000 2.226 116 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 116 Q C 1.079 177.113 176.000 0.057 0.000 0.975 116 Q CA 1.521 57.345 55.803 0.036 0.000 0.866 116 Q CB 0.108 28.858 28.738 0.020 0.000 0.915 116 Q HN 0.260 nan 8.270 nan 0.000 0.440 117 D N 0.312 120.766 120.400 0.091 0.000 2.384 117 D HA -0.116 4.524 4.640 -0.000 0.000 0.222 117 D C 1.474 177.811 176.300 0.061 0.000 0.976 117 D CA 0.625 54.672 54.000 0.079 0.000 0.915 117 D CB 0.045 40.910 40.800 0.108 0.000 0.896 117 D HN 0.375 nan 8.370 nan 0.000 0.523 118 L N 0.335 121.611 121.223 0.088 0.000 2.313 118 L HA -0.044 4.296 4.340 -0.000 0.000 0.214 118 L C 2.039 178.926 176.870 0.028 0.000 1.119 118 L CA 0.655 55.532 54.840 0.061 0.000 0.809 118 L CB -0.195 41.922 42.059 0.096 0.000 0.933 118 L HN -0.020 nan 8.230 nan 0.000 0.449 119 E N 0.728 120.945 120.200 0.028 0.000 2.265 119 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 119 E C 1.911 178.514 176.600 0.005 0.000 0.996 119 E CA 0.900 57.310 56.400 0.016 0.000 0.832 119 E CB -0.022 29.688 29.700 0.017 0.000 0.756 119 E HN 0.573 nan 8.360 nan 0.000 0.491 120 R N 0.650 121.150 120.500 -0.001 0.000 2.313 120 R HA 0.098 4.437 4.340 -0.000 0.000 0.199 120 R C 0.587 176.872 176.300 -0.024 0.000 0.958 120 R CA 0.068 56.161 56.100 -0.012 0.000 1.047 120 R CB -0.246 30.045 30.300 -0.016 0.000 0.955 120 R HN 0.014 nan 8.270 nan 0.000 0.481 121 L N 1.843 123.051 121.223 -0.026 0.000 2.395 121 L HA 0.314 4.654 4.340 -0.000 0.000 0.269 121 L C 0.657 177.513 176.870 -0.023 0.000 1.133 121 L CA -0.797 54.021 54.840 -0.037 0.000 0.812 121 L CB 0.811 42.843 42.059 -0.044 0.000 1.125 121 L HN 0.088 nan 8.230 nan 0.000 0.452 122 R N 0.623 121.107 120.500 -0.027 0.000 2.637 122 R HA 0.059 4.399 4.340 -0.000 0.000 0.269 122 R C -0.285 176.010 176.300 -0.007 0.000 1.089 122 R CA -0.671 55.420 56.100 -0.015 0.000 1.177 122 R CB 0.439 30.727 30.300 -0.019 0.000 1.091 122 R HN 0.527 nan 8.270 nan 0.000 0.540 123 D N 2.706 123.107 120.400 0.002 0.000 2.401 123 D HA -0.006 4.634 4.640 -0.000 0.000 0.254 123 D C -1.356 174.952 176.300 0.012 0.000 1.192 123 D CA -1.613 52.394 54.000 0.011 0.000 0.885 123 D CB 1.132 41.941 40.800 0.016 0.000 1.147 123 D HN 0.244 nan 8.370 nan 0.000 0.478 124 P HA -0.180 nan 4.420 nan 0.000 0.218 124 P C 0.755 178.076 177.300 0.034 0.000 1.146 124 P CA 1.047 64.160 63.100 0.021 0.000 0.813 124 P CB 0.348 32.067 31.700 0.031 0.000 0.778 125 E N -0.043 120.179 120.200 0.037 0.000 2.265 125 E HA -0.075 4.274 4.350 -0.000 0.000 0.196 125 E C 1.817 178.445 176.600 0.046 0.000 0.996 125 E CA 1.394 57.821 56.400 0.045 0.000 0.832 125 E CB -0.257 29.467 29.700 0.040 0.000 0.756 125 E HN 0.325 nan 8.360 nan 0.000 0.491 126 V N -2.600 117.334 119.914 0.033 0.000 3.647 126 V HA 0.045 4.165 4.120 -0.000 0.000 0.279 126 V C 1.966 178.074 176.094 0.024 0.000 1.314 126 V CA 0.126 62.444 62.300 0.032 0.000 1.125 126 V CB 0.139 31.974 31.823 0.021 0.000 0.907 126 V HN -0.077 nan 8.190 nan 0.000 0.434 127 V N 1.501 121.424 119.914 0.015 0.000 2.343 127 V HA -0.166 3.953 4.120 -0.000 0.000 0.247 127 V C 3.131 179.212 176.094 -0.022 0.000 1.051 127 V CA 2.314 64.599 62.300 -0.024 0.000 1.036 127 V CB -1.109 30.687 31.823 -0.045 0.000 0.654 127 V HN 0.653 nan 8.190 nan 0.000 0.451 128 A N 0.977 123.842 122.820 0.076 0.000 1.908 128 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 128 A C 2.516 180.200 177.584 0.167 0.000 1.181 128 A CA 2.445 54.604 52.037 0.204 0.000 0.627 128 A CB -0.810 18.368 19.000 0.296 0.000 0.818 128 A HN 0.704 nan 8.150 nan 0.000 0.445 129 S N -0.608 115.162 115.700 0.117 0.000 2.447 129 S HA -0.087 4.382 4.470 -0.000 0.000 0.233 129 S C 1.406 176.031 174.600 0.042 0.000 1.006 129 S CA 1.166 59.425 58.200 0.099 0.000 0.957 129 S CB -0.196 63.051 63.200 0.079 0.000 0.773 129 S HN 0.556 nan 8.310 nan 0.000 0.507 130 E N 1.098 121.297 120.200 -0.002 0.000 2.371 130 E HA 0.202 4.552 4.350 -0.000 0.000 0.194 130 E C 1.134 177.711 176.600 -0.037 0.000 1.012 130 E CA 0.368 56.764 56.400 -0.006 0.000 0.860 130 E CB -0.080 29.607 29.700 -0.022 0.000 0.811 130 E HN 0.576 nan 8.360 nan 0.000 0.502 131 L N 0.207 121.286 121.223 -0.240 0.000 2.791 131 L HA 0.240 4.580 4.340 -0.000 0.000 0.239 131 L C 1.848 178.194 176.870 -0.874 0.000 1.203 131 L CA -0.206 54.269 54.840 -0.609 0.000 1.002 131 L CB 0.235 41.820 42.059 -0.791 0.000 1.295 131 L HN 0.042 nan 8.230 nan 0.000 0.504 132 G N 0.730 109.309 108.800 -0.369 0.000 2.469 132 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.220 132 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.220 132 G C 1.353 176.180 174.900 -0.122 0.000 1.136 132 G CA 1.262 46.266 45.100 -0.160 0.000 0.759 132 G HN 0.629 nan 8.290 nan 0.000 0.562 133 Y N 0.124 120.368 120.300 -0.094 0.000 2.333 133 Y HA 0.038 4.588 4.550 -0.000 0.000 0.290 133 Y C 2.394 178.283 175.900 -0.018 0.000 1.144 133 Y CA 0.840 58.925 58.100 -0.025 0.000 1.228 133 Y CB -0.696 37.759 38.460 -0.009 0.000 0.985 133 Y HN 0.023 nan 8.280 nan 0.000 0.542 134 V N 0.738 120.229 119.914 -0.705 0.000 2.379 134 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 134 V C 2.280 178.337 176.094 -0.061 0.000 1.044 134 V CA 1.867 63.926 62.300 -0.403 0.000 1.036 134 V CB -0.967 30.550 31.823 -0.509 0.000 0.664 134 V HN 0.503 nan 8.190 nan 0.000 0.453 135 F N 0.279 120.199 119.950 -0.050 0.000 2.126 135 F HA -0.274 4.253 4.527 -0.000 0.000 0.299 135 F C 2.756 178.577 175.800 0.035 0.000 1.096 135 F CA 1.490 59.489 58.000 -0.000 0.000 1.255 135 F CB -0.388 38.624 39.000 0.020 0.000 0.997 135 F HN 0.165 nan 8.300 nan 0.000 0.479 136 Q N 0.376 120.313 119.800 0.230 0.000 2.124 136 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 136 Q C 2.494 178.582 176.000 0.146 0.000 0.977 136 Q CA 1.362 57.270 55.803 0.175 0.000 0.850 136 Q CB -0.388 28.442 28.738 0.153 0.000 0.901 136 Q HN 0.460 nan 8.270 nan 0.000 0.429 137 A N 0.632 123.531 122.820 0.133 0.000 1.969 137 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 137 A C 1.993 179.641 177.584 0.106 0.000 1.169 137 A CA 0.902 53.011 52.037 0.120 0.000 0.635 137 A CB -0.435 18.645 19.000 0.132 0.000 0.810 137 A HN 0.278 nan 8.150 nan 0.000 0.445 138 I N -0.675 119.959 120.570 0.107 0.000 2.202 138 I HA -0.194 3.976 4.170 -0.000 0.000 0.242 138 I C 2.588 178.733 176.117 0.045 0.000 1.091 138 I CA 1.685 63.023 61.300 0.064 0.000 1.368 138 I CB -0.634 37.403 38.000 0.061 0.000 1.058 138 I HN 0.220 nan 8.210 nan 0.000 0.410 139 T N 1.323 115.947 114.554 0.116 0.000 2.684 139 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 139 T C 1.867 176.692 174.700 0.207 0.000 1.036 139 T CA 1.379 63.611 62.100 0.221 0.000 1.148 139 T CB -0.365 68.675 68.868 0.287 0.000 0.863 139 T HN 0.144 nan 8.240 nan 0.000 0.436 140 L N 1.144 122.454 121.223 0.146 0.000 2.017 140 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 140 L C 2.518 179.441 176.870 0.089 0.000 1.073 140 L CA 1.899 56.808 54.840 0.115 0.000 0.745 140 L CB -1.240 40.875 42.059 0.093 0.000 0.894 140 L HN 0.212 nan 8.230 nan 0.000 0.432 141 T N -1.002 113.592 114.554 0.068 0.000 2.821 141 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 141 T C 1.972 176.683 174.700 0.018 0.000 1.046 141 T CA 1.440 63.566 62.100 0.042 0.000 1.139 141 T CB -0.242 68.650 68.868 0.040 0.000 0.871 141 T HN 0.236 nan 8.240 nan 0.000 0.454 142 R N 1.194 121.686 120.500 -0.013 0.000 2.096 142 R HA -0.030 4.310 4.340 -0.000 0.000 0.235 142 R C 2.477 178.813 176.300 0.060 0.000 1.127 142 R CA 1.322 57.372 56.100 -0.083 0.000 0.968 142 R CB -0.364 29.704 30.300 -0.387 0.000 0.861 142 R HN 0.291 nan 8.270 nan 0.000 0.440 143 Q N 0.076 119.974 119.800 0.164 0.000 2.016 143 Q HA -0.080 4.260 4.340 -0.000 0.000 0.200 143 Q C 2.014 178.074 176.000 0.099 0.000 0.978 143 Q CA 1.282 57.196 55.803 0.184 0.000 0.833 143 Q CB -0.176 28.665 28.738 0.172 0.000 0.895 143 Q HN 0.308 nan 8.270 nan 0.000 0.427 144 R N 0.588 121.130 120.500 0.071 0.000 2.115 144 R HA 0.001 4.341 4.340 -0.000 0.000 0.230 144 R C 2.353 178.673 176.300 0.034 0.000 1.111 144 R CA 0.501 56.628 56.100 0.045 0.000 0.976 144 R CB -0.621 29.701 30.300 0.036 0.000 0.870 144 R HN 0.285 nan 8.270 nan 0.000 0.445 145 L N 0.494 121.734 121.223 0.030 0.000 2.201 145 L HA -0.039 4.301 4.340 -0.000 0.000 0.212 145 L C 0.999 177.884 176.870 0.024 0.000 1.105 145 L CA 0.891 55.741 54.840 0.017 0.000 0.775 145 L CB -0.364 41.694 42.059 -0.001 0.000 0.913 145 L HN 0.235 nan 8.230 nan 0.000 0.440 146 A N 0.008 122.852 122.820 0.040 0.000 2.822 146 A HA -0.162 4.158 4.320 -0.000 0.000 0.287 146 A C 1.303 178.912 177.584 0.041 0.000 1.479 146 A CA 0.778 52.844 52.037 0.047 0.000 0.779 146 A CB -2.121 16.901 19.000 0.037 0.000 1.022 146 A HN 0.987 nan 8.150 nan 0.000 0.532 147 G N -1.515 107.308 108.800 0.037 0.000 2.155 147 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.257 147 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.257 147 G C 0.864 175.780 174.900 0.026 0.000 0.983 147 G CA 1.472 46.591 45.100 0.032 0.000 0.676 147 G HN 1.452 nan 8.290 nan 0.000 0.528 148 R N -0.064 120.449 120.500 0.020 0.000 2.082 148 R HA 0.139 4.479 4.340 -0.000 0.000 0.234 148 R C 1.398 177.713 176.300 0.025 0.000 1.136 148 R CA 2.505 58.618 56.100 0.022 0.000 0.935 148 R CB -0.191 30.120 30.300 0.018 0.000 0.842 148 R HN 1.089 nan 8.270 nan 0.000 0.430 149 V N -4.034 115.885 119.914 0.008 0.000 3.181 149 V HA 0.570 4.690 4.120 -0.000 0.000 0.308 149 V C -2.819 173.250 176.094 -0.041 0.000 1.214 149 V CA -2.821 59.479 62.300 -0.001 0.000 1.053 149 V CB 1.726 33.542 31.823 -0.012 0.000 1.069 149 V HN 0.014 nan 8.190 nan 0.000 0.441 150 P HA 0.426 nan 4.420 nan 0.000 0.272 150 P C -1.147 176.033 177.300 -0.201 0.000 1.230 150 P CA -0.182 62.863 63.100 -0.090 0.000 0.788 150 P CB 0.478 32.176 31.700 -0.004 0.000 0.949 151 L N 2.925 124.043 121.223 -0.175 0.000 2.298 151 L HA 0.449 4.788 4.340 -0.000 0.000 0.284 151 L C -0.942 175.809 176.870 -0.198 0.000 1.013 151 L CA -0.294 54.432 54.840 -0.189 0.000 0.824 151 L CB 0.293 42.267 42.059 -0.141 0.000 1.221 151 L HN 0.213 nan 8.230 nan 0.000 0.418 152 I N 4.905 125.310 120.570 -0.274 0.000 2.342 152 I HA 0.488 4.658 4.170 -0.000 0.000 0.291 152 I C 0.979 177.073 176.117 -0.038 0.000 1.010 152 I CA -0.219 60.949 61.300 -0.220 0.000 1.308 152 I CB 1.283 39.002 38.000 -0.468 0.000 1.400 152 I HN 0.741 nan 8.210 nan 0.000 0.488 153 G N 5.255 114.065 108.800 0.016 0.000 2.488 153 G HA2 0.741 4.700 3.960 -0.000 0.000 0.318 153 G HA3 0.741 4.700 3.960 -0.000 0.000 0.318 153 G C -1.027 174.007 174.900 0.222 0.000 1.188 153 G CA -0.330 44.807 45.100 0.061 0.000 0.944 153 G HN 0.640 nan 8.290 nan 0.000 0.495 154 F N -1.813 118.159 119.950 0.036 0.000 2.817 154 F HA 0.851 5.378 4.527 -0.000 0.000 0.317 154 F C -0.580 175.322 175.800 0.170 0.000 1.168 154 F CA -0.935 57.165 58.000 0.167 0.000 0.911 154 F CB 1.197 40.428 39.000 0.384 0.000 1.337 154 F HN 1.104 nan 8.300 nan 0.000 0.464 155 A N 0.327 123.430 122.820 0.472 0.000 2.566 155 A HA 0.744 5.064 4.320 -0.000 0.000 0.290 155 A C -0.938 176.985 177.584 0.565 0.000 1.071 155 A CA -0.455 51.794 52.037 0.355 0.000 0.658 155 A CB 0.743 19.904 19.000 0.269 0.000 1.285 155 A HN 1.884 nan 8.150 nan 0.000 0.427 156 G N -0.220 108.827 108.800 0.412 0.000 2.400 156 G HA2 0.695 4.655 3.960 -0.000 0.000 0.301 156 G HA3 0.695 4.655 3.960 -0.000 0.000 0.301 156 G C 0.308 175.394 174.900 0.309 0.000 1.154 156 G CA 0.308 45.638 45.100 0.383 0.000 0.852 156 G HN 1.798 nan 8.290 nan 0.000 0.511 157 A N 2.778 125.777 122.820 0.299 0.000 2.366 157 A HA 0.560 4.880 4.320 -0.000 0.000 0.249 157 A C -0.861 176.846 177.584 0.205 0.000 1.084 157 A CA -0.937 51.252 52.037 0.253 0.000 0.794 157 A CB 0.577 19.729 19.000 0.252 0.000 1.034 157 A HN 0.450 nan 8.150 nan 0.000 0.491 158 P HA -0.212 nan 4.420 nan 0.000 0.215 158 P C 1.542 178.913 177.300 0.117 0.000 1.163 158 P CA 1.859 65.026 63.100 0.112 0.000 0.894 158 P CB -0.174 31.575 31.700 0.082 0.000 0.791 159 W N 0.105 121.409 121.300 0.006 0.000 2.354 159 W HA -0.180 4.480 4.660 -0.000 0.000 0.315 159 W C 1.582 178.131 176.519 0.051 0.000 1.206 159 W CA 1.883 59.227 57.345 -0.002 0.000 1.290 159 W CB -1.162 28.304 29.460 0.010 0.000 1.152 159 W HN -0.074 nan 8.180 nan 0.000 0.489 160 T N 2.479 116.963 114.554 -0.116 0.000 2.699 160 T HA -0.232 4.118 4.350 -0.000 0.000 0.268 160 T C 1.931 176.580 174.700 -0.086 0.000 1.036 160 T CA 2.082 64.056 62.100 -0.211 0.000 1.147 160 T CB -0.620 68.257 68.868 0.014 0.000 0.862 160 T HN 0.170 nan 8.240 nan 0.000 0.446 161 L N 0.359 121.598 121.223 0.027 0.000 2.093 161 L HA -0.010 4.330 4.340 -0.000 0.000 0.208 161 L C 2.628 179.468 176.870 -0.049 0.000 1.085 161 L CA 1.128 56.022 54.840 0.089 0.000 0.755 161 L CB -0.535 41.562 42.059 0.063 0.000 0.904 161 L HN 0.346 nan 8.230 nan 0.000 0.435 162 M N 0.173 119.655 119.600 -0.196 0.000 2.159 162 M HA -0.199 4.281 4.480 -0.000 0.000 0.263 162 M C 2.400 178.423 176.300 -0.462 0.000 1.063 162 M CA 2.310 57.419 55.300 -0.318 0.000 1.110 162 M CB -0.249 32.194 32.600 -0.262 0.000 1.374 162 M HN 0.357 nan 8.290 nan 0.000 0.411 163 T N -1.599 112.567 114.554 -0.647 0.000 2.788 163 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 163 T C 1.502 175.944 174.700 -0.430 0.000 1.044 163 T CA 1.533 63.228 62.100 -0.675 0.000 1.139 163 T CB -1.092 67.304 68.868 -0.786 0.000 0.867 163 T HN 0.604 nan 8.240 nan 0.000 0.454 164 Y N 1.145 121.363 120.300 -0.137 0.000 2.263 164 Y HA 0.177 4.727 4.550 -0.000 0.000 0.292 164 Y C 2.798 178.702 175.900 0.006 0.000 1.130 164 Y CA 1.083 59.208 58.100 0.043 0.000 1.179 164 Y CB -0.382 38.185 38.460 0.177 0.000 0.998 164 Y HN 0.159 nan 8.280 nan 0.000 0.532 165 M N -1.385 118.147 119.600 -0.113 0.000 2.254 165 M HA -0.166 4.314 4.480 -0.000 0.000 0.265 165 M C 1.825 177.893 176.300 -0.387 0.000 1.066 165 M CA 1.082 56.109 55.300 -0.455 0.000 1.123 165 M CB -0.243 32.070 32.600 -0.478 0.000 1.388 165 M HN 0.077 nan 8.290 nan 0.000 0.425 166 V N -0.487 119.190 119.914 -0.394 0.000 2.500 166 V HA -0.082 4.038 4.120 -0.000 0.000 0.243 166 V C 2.189 178.145 176.094 -0.230 0.000 1.039 166 V CA 1.228 63.269 62.300 -0.432 0.000 1.053 166 V CB -0.368 31.038 31.823 -0.695 0.000 0.695 166 V HN 0.324 nan 8.190 nan 0.000 0.463 167 E N 0.300 120.382 120.200 -0.197 0.000 2.208 167 E HA 0.006 4.356 4.350 -0.000 0.000 0.193 167 E C 2.003 178.595 176.600 -0.014 0.000 0.988 167 E CA 1.008 57.337 56.400 -0.119 0.000 0.828 167 E CB -0.154 29.432 29.700 -0.190 0.000 0.763 167 E HN 0.635 nan 8.360 nan 0.000 0.478 168 G N 0.260 109.104 108.800 0.074 0.000 2.199 168 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.254 168 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.254 168 G C 0.651 175.706 174.900 0.257 0.000 0.982 168 G CA 0.730 45.963 45.100 0.221 0.000 0.632 168 G HN 0.779 nan 8.290 nan 0.000 0.529 169 G N -1.402 107.520 108.800 0.203 0.000 2.498 169 G HA2 0.627 4.586 3.960 -0.000 0.000 0.181 169 G HA3 0.627 4.586 3.960 -0.000 0.000 0.181 169 G C 0.392 175.357 174.900 0.107 0.000 1.169 169 G CA 0.773 46.012 45.100 0.232 0.000 0.992 169 G HN 1.631 nan 8.290 nan 0.000 0.490 170 G N -0.751 108.109 108.800 0.099 0.000 2.599 170 G HA2 0.590 4.550 3.960 -0.000 0.000 0.264 170 G HA3 0.590 4.550 3.960 -0.000 0.000 0.264 170 G C -0.099 174.740 174.900 -0.102 0.000 1.200 170 G CA 0.979 46.076 45.100 -0.005 0.000 0.896 170 G HN 1.613 nan 8.290 nan 0.000 0.536 171 S N -2.061 113.530 115.700 -0.183 0.000 2.558 171 S HA 0.365 4.835 4.470 -0.000 0.000 0.277 171 S C 0.687 175.185 174.600 -0.170 0.000 1.143 171 S CA 0.231 58.326 58.200 -0.174 0.000 0.865 171 S CB 0.992 64.051 63.200 -0.235 0.000 1.102 171 S HN 1.286 nan 8.310 nan 0.000 0.454 172 S N 1.413 117.083 115.700 -0.051 0.000 2.558 172 S HA 0.094 4.564 4.470 -0.000 0.000 0.217 172 S C 1.247 175.926 174.600 0.132 0.000 0.975 172 S CA 1.017 59.257 58.200 0.068 0.000 0.912 172 S CB -0.245 62.994 63.200 0.065 0.000 0.776 172 S HN 1.052 nan 8.310 nan 0.000 0.526 173 T N -3.087 111.455 114.554 -0.019 0.000 2.966 173 T HA 0.298 4.648 4.350 -0.000 0.000 0.254 173 T C 0.682 175.331 174.700 -0.085 0.000 0.961 173 T CA 0.150 62.275 62.100 0.041 0.000 0.915 173 T CB -0.089 68.807 68.868 0.046 0.000 1.186 173 T HN 0.112 nan 8.240 nan 0.000 0.505 174 M N 0.738 120.175 119.600 -0.272 0.000 2.682 174 M HA -0.208 4.272 4.480 -0.000 0.000 0.196 174 M C 1.411 177.698 176.300 -0.022 0.000 0.542 174 M CA 0.727 55.879 55.300 -0.246 0.000 0.593 174 M CB -2.535 29.882 32.600 -0.306 0.000 2.183 174 M HN 0.619 nan 8.290 nan 0.000 0.663 175 A N -0.245 122.578 122.820 0.004 0.000 1.917 175 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 175 A C 2.041 179.686 177.584 0.102 0.000 1.182 175 A CA 1.950 54.028 52.037 0.069 0.000 0.633 175 A CB -0.214 18.816 19.000 0.049 0.000 0.819 175 A HN 0.679 nan 8.150 nan 0.000 0.448 176 Q N -0.741 119.096 119.800 0.062 0.000 2.083 176 Q HA -0.035 4.304 4.340 -0.000 0.000 0.198 176 Q C 2.451 178.538 176.000 0.146 0.000 0.969 176 Q CA 1.519 57.385 55.803 0.106 0.000 0.838 176 Q CB -0.695 28.067 28.738 0.040 0.000 0.900 176 Q HN 0.665 nan 8.270 nan 0.000 0.436 177 A N 1.576 124.416 122.820 0.033 0.000 1.873 177 A HA -0.159 4.160 4.320 -0.000 0.000 0.215 177 A C 2.077 179.861 177.584 0.333 0.000 1.186 177 A CA 1.423 53.480 52.037 0.033 0.000 0.616 177 A CB -0.292 18.595 19.000 -0.189 0.000 0.823 177 A HN 0.239 nan 8.150 nan 0.000 0.442 178 K N -0.741 119.865 120.400 0.343 0.000 2.211 178 K HA -0.087 4.233 4.320 -0.000 0.000 0.203 178 K C 2.283 179.075 176.600 0.319 0.000 1.050 178 K CA 1.084 57.560 56.287 0.315 0.000 0.945 178 K CB -0.132 32.545 32.500 0.295 0.000 0.732 178 K HN 0.408 nan 8.250 nan 0.000 0.451 179 R N 0.025 120.716 120.500 0.319 0.000 2.115 179 R HA -0.156 4.184 4.340 -0.000 0.000 0.230 179 R C 1.593 178.073 176.300 0.299 0.000 1.111 179 R CA 1.326 57.606 56.100 0.300 0.000 0.976 179 R CB -0.105 30.333 30.300 0.230 0.000 0.870 179 R HN 0.256 nan 8.270 nan 0.000 0.445 180 W N 1.147 122.500 121.300 0.089 0.000 2.355 180 W HA -0.106 4.554 4.660 -0.000 0.000 0.309 180 W C 2.031 178.560 176.519 0.017 0.000 1.206 180 W CA 1.135 58.512 57.345 0.053 0.000 1.284 180 W CB -0.490 29.000 29.460 0.050 0.000 1.145 180 W HN 0.042 nan 8.180 nan 0.000 0.502 181 L N -1.673 119.677 121.223 0.212 0.000 2.042 181 L HA -0.260 4.079 4.340 -0.000 0.000 0.210 181 L C 2.075 178.857 176.870 -0.146 0.000 1.076 181 L CA 1.534 56.335 54.840 -0.065 0.000 0.749 181 L CB -1.310 40.575 42.059 -0.291 0.000 0.893 181 L HN 0.066 nan 8.230 nan 0.000 0.432 182 Y N -0.291 120.039 120.300 0.050 0.000 2.269 182 Y HA -0.107 4.442 4.550 -0.000 0.000 0.294 182 Y C 2.816 178.717 175.900 0.002 0.000 1.120 182 Y CA 0.768 58.880 58.100 0.020 0.000 1.159 182 Y CB 0.060 38.532 38.460 0.020 0.000 1.024 182 Y HN 0.144 nan 8.280 nan 0.000 0.532 183 Q N -0.029 119.857 119.800 0.144 0.000 2.204 183 Q HA 0.064 4.404 4.340 -0.000 0.000 0.198 183 Q C 0.374 176.343 176.000 -0.052 0.000 0.946 183 Q CA 0.687 56.507 55.803 0.029 0.000 0.859 183 Q CB 0.286 29.017 28.738 -0.012 0.000 0.946 183 Q HN 0.337 nan 8.270 nan 0.000 0.474 184 R N 1.035 121.478 120.500 -0.095 0.000 2.983 184 R HA 0.184 4.524 4.340 -0.000 0.000 0.300 184 R C -2.073 174.201 176.300 -0.042 0.000 1.367 184 R CA -1.205 54.797 56.100 -0.164 0.000 1.564 184 R CB 0.730 30.737 30.300 -0.488 0.000 1.314 184 R HN 0.090 nan 8.270 nan 0.000 0.622 185 P HA -0.201 nan 4.420 nan 0.000 0.217 185 P C 0.854 178.229 177.300 0.125 0.000 1.150 185 P CA 1.239 64.358 63.100 0.031 0.000 0.832 185 P CB 0.460 32.199 31.700 0.065 0.000 0.787 186 Q N -0.037 119.834 119.800 0.119 0.000 2.020 186 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 186 Q C 2.484 178.569 176.000 0.141 0.000 0.982 186 Q CA 1.819 57.712 55.803 0.150 0.000 0.838 186 Q CB -0.708 28.073 28.738 0.072 0.000 0.899 186 Q HN 0.176 nan 8.270 nan 0.000 0.423 187 A N 0.426 123.286 122.820 0.066 0.000 1.972 187 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 187 A C 2.253 179.987 177.584 0.250 0.000 1.169 187 A CA 1.692 53.788 52.037 0.098 0.000 0.635 187 A CB -0.428 18.517 19.000 -0.092 0.000 0.810 187 A HN 0.242 nan 8.150 nan 0.000 0.446 188 S N -1.034 114.807 115.700 0.234 0.000 2.368 188 S HA -0.126 4.344 4.470 -0.000 0.000 0.224 188 S C 1.918 176.552 174.600 0.056 0.000 1.029 188 S CA 1.047 59.383 58.200 0.227 0.000 0.988 188 S CB -0.518 62.758 63.200 0.126 0.000 0.838 188 S HN 0.707 nan 8.310 nan 0.000 0.462 189 H N 1.265 120.405 119.070 0.118 0.000 2.387 189 H HA -0.043 4.513 4.556 -0.000 0.000 0.299 189 H C 2.401 177.766 175.328 0.062 0.000 1.090 189 H CA 1.512 57.630 56.048 0.116 0.000 1.332 189 H CB -0.381 29.475 29.762 0.157 0.000 1.386 189 H HN 0.491 nan 8.280 nan 0.000 0.516 190 Q N 0.370 120.288 119.800 0.197 0.000 2.050 190 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 190 Q C 2.390 178.429 176.000 0.066 0.000 0.980 190 Q CA 1.358 57.237 55.803 0.126 0.000 0.840 190 Q CB -0.091 28.717 28.738 0.118 0.000 0.898 190 Q HN 0.275 nan 8.270 nan 0.000 0.424 191 L N 0.673 121.936 121.223 0.067 0.000 2.046 191 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 191 L C 2.070 178.881 176.870 -0.097 0.000 1.077 191 L CA 1.593 56.433 54.840 -0.001 0.000 0.747 191 L CB -0.494 41.565 42.059 0.001 0.000 0.896 191 L HN 0.309 nan 8.230 nan 0.000 0.432 192 L N -0.811 120.297 121.223 -0.193 0.000 2.131 192 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 192 L C 2.717 179.286 176.870 -0.502 0.000 1.092 192 L CA 1.126 55.678 54.840 -0.480 0.000 0.759 192 L CB -0.506 41.008 42.059 -0.908 0.000 0.903 192 L HN 0.285 nan 8.230 nan 0.000 0.435 193 R N 0.652 121.015 120.500 -0.228 0.000 2.062 193 R HA -0.094 4.246 4.340 -0.000 0.000 0.229 193 R C 2.101 178.417 176.300 0.026 0.000 1.128 193 R CA 1.463 57.578 56.100 0.025 0.000 0.960 193 R CB -0.455 29.935 30.300 0.149 0.000 0.855 193 R HN 0.084 nan 8.270 nan 0.000 0.432 194 I N 0.900 121.471 120.570 0.002 0.000 2.208 194 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 194 I C 2.104 178.222 176.117 0.002 0.000 1.097 194 I CA 1.366 62.670 61.300 0.008 0.000 1.363 194 I CB -0.898 37.098 38.000 -0.005 0.000 1.051 194 I HN 0.239 nan 8.210 nan 0.000 0.413 195 L N -0.231 120.976 121.223 -0.027 0.000 2.141 195 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 195 L C 2.447 179.345 176.870 0.047 0.000 1.094 195 L CA 1.201 56.036 54.840 -0.009 0.000 0.763 195 L CB -0.688 41.346 42.059 -0.042 0.000 0.908 195 L HN 0.222 nan 8.230 nan 0.000 0.437 196 T N -1.358 113.233 114.554 0.062 0.000 2.770 196 T HA -0.130 4.220 4.350 -0.000 0.000 0.263 196 T C 1.349 176.124 174.700 0.125 0.000 1.039 196 T CA 1.148 63.331 62.100 0.138 0.000 1.142 196 T CB -0.179 68.831 68.868 0.236 0.000 0.868 196 T HN 0.250 nan 8.240 nan 0.000 0.435 197 D N 1.327 121.788 120.400 0.102 0.000 2.309 197 D HA 0.047 4.686 4.640 -0.000 0.000 0.212 197 D C 1.976 178.328 176.300 0.086 0.000 0.968 197 D CA 0.755 54.809 54.000 0.090 0.000 0.882 197 D CB -0.152 40.692 40.800 0.074 0.000 0.918 197 D HN 0.443 nan 8.370 nan 0.000 0.503 198 A N -0.239 122.630 122.820 0.083 0.000 1.973 198 A HA 0.123 4.443 4.320 -0.000 0.000 0.210 198 A C 2.192 179.863 177.584 0.144 0.000 1.200 198 A CA 0.016 52.102 52.037 0.082 0.000 0.707 198 A CB -0.322 18.698 19.000 0.034 0.000 0.862 198 A HN 0.131 nan 8.150 nan 0.000 0.461 199 L N -0.264 121.056 121.223 0.162 0.000 2.093 199 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 199 L C 2.489 179.488 176.870 0.215 0.000 1.085 199 L CA 0.868 55.850 54.840 0.237 0.000 0.755 199 L CB -0.431 41.755 42.059 0.212 0.000 0.904 199 L HN 0.234 nan 8.230 nan 0.000 0.435 200 V N 0.644 120.653 119.914 0.159 0.000 2.233 200 V HA -0.193 3.926 4.120 -0.000 0.000 0.247 200 V C -0.225 175.939 176.094 0.116 0.000 1.050 200 V CA 2.310 64.682 62.300 0.119 0.000 1.010 200 V CB -1.866 30.016 31.823 0.097 0.000 0.637 200 V HN 0.382 nan 8.190 nan 0.000 0.444 201 P HA -0.199 nan 4.420 nan 0.000 0.220 201 P C 1.486 178.921 177.300 0.226 0.000 1.148 201 P CA 1.615 64.797 63.100 0.137 0.000 0.803 201 P CB -0.115 31.664 31.700 0.132 0.000 0.782 202 Y N 1.320 121.700 120.300 0.134 0.000 2.184 202 Y HA -0.081 4.468 4.550 -0.000 0.000 0.290 202 Y C 2.351 178.364 175.900 0.190 0.000 1.129 202 Y CA 1.096 59.325 58.100 0.214 0.000 1.144 202 Y CB -1.301 37.225 38.460 0.111 0.000 0.995 202 Y HN -0.252 nan 8.280 nan 0.000 0.513 203 L N -1.153 120.046 121.223 -0.040 0.000 2.093 203 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 203 L C 2.400 179.207 176.870 -0.105 0.000 1.085 203 L CA 0.972 55.719 54.840 -0.156 0.000 0.755 203 L CB -0.693 41.343 42.059 -0.039 0.000 0.904 203 L HN 0.062 nan 8.230 nan 0.000 0.435 204 V N 0.138 120.023 119.914 -0.048 0.000 2.343 204 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 204 V C 2.592 178.584 176.094 -0.169 0.000 1.051 204 V CA 1.999 64.257 62.300 -0.072 0.000 1.036 204 V CB -1.152 30.652 31.823 -0.031 0.000 0.654 204 V HN 0.574 nan 8.190 nan 0.000 0.451 205 G N -1.231 107.420 108.800 -0.248 0.000 2.432 205 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.219 205 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.219 205 G C 1.474 175.902 174.900 -0.787 0.000 1.135 205 G CA 0.589 45.250 45.100 -0.731 0.000 0.767 205 G HN 0.548 nan 8.290 nan 0.000 0.550 206 Q N -0.254 119.349 119.800 -0.328 0.000 2.167 206 Q HA -0.027 4.313 4.340 -0.000 0.000 0.202 206 Q C 2.792 178.700 176.000 -0.153 0.000 0.970 206 Q CA 1.083 56.798 55.803 -0.146 0.000 0.855 206 Q CB -0.103 28.536 28.738 -0.164 0.000 0.911 206 Q HN 0.436 nan 8.270 nan 0.000 0.438 207 V N 0.063 119.885 119.914 -0.153 0.000 2.379 207 V HA -0.179 3.941 4.120 -0.000 0.000 0.245 207 V C 2.231 178.265 176.094 -0.099 0.000 1.044 207 V CA 1.135 63.371 62.300 -0.105 0.000 1.036 207 V CB -0.328 31.454 31.823 -0.068 0.000 0.664 207 V HN 0.146 nan 8.190 nan 0.000 0.453 208 V N 0.667 120.500 119.914 -0.136 0.000 2.392 208 V HA -0.256 3.863 4.120 -0.000 0.000 0.249 208 V C 2.551 178.621 176.094 -0.038 0.000 1.059 208 V CA 2.054 64.295 62.300 -0.097 0.000 1.051 208 V CB -1.031 30.688 31.823 -0.173 0.000 0.658 208 V HN 0.566 nan 8.190 nan 0.000 0.455 209 A N -1.037 121.717 122.820 -0.109 0.000 2.206 209 A HA 0.392 4.712 4.320 -0.000 0.000 0.211 209 A C 1.871 179.451 177.584 -0.006 0.000 1.158 209 A CA 1.216 53.260 52.037 0.012 0.000 0.761 209 A CB -0.162 18.845 19.000 0.011 0.000 0.801 209 A HN 1.110 nan 8.150 nan 0.000 0.473 210 G N -2.611 106.093 108.800 -0.160 0.000 2.227 210 G HA2 0.228 4.188 3.960 -0.000 0.000 0.168 210 G HA3 0.228 4.188 3.960 -0.000 0.000 0.168 210 G C 0.299 174.991 174.900 -0.347 0.000 1.006 210 G CA -0.042 44.753 45.100 -0.509 0.000 0.684 210 G HN 1.358 nan 8.290 nan 0.000 0.489 211 A N 0.167 122.875 122.820 -0.187 0.000 2.450 211 A HA 0.631 4.951 4.320 -0.000 0.000 0.255 211 A C 0.984 178.506 177.584 -0.103 0.000 1.096 211 A CA 0.814 52.772 52.037 -0.132 0.000 0.778 211 A CB 0.309 19.255 19.000 -0.091 0.000 1.031 211 A HN 0.454 nan 8.150 nan 0.000 0.494 212 Q N 0.497 120.247 119.800 -0.083 0.000 2.282 212 Q HA 0.460 4.800 4.340 -0.000 0.000 0.206 212 Q C 0.145 176.161 176.000 0.027 0.000 0.878 212 Q CA 0.660 56.450 55.803 -0.022 0.000 0.944 212 Q CB 0.528 29.257 28.738 -0.015 0.000 1.100 212 Q HN 0.907 nan 8.270 nan 0.000 0.509 213 A N 0.405 123.228 122.820 0.005 0.000 2.586 213 A HA 0.725 5.045 4.320 -0.000 0.000 0.291 213 A C -1.982 175.609 177.584 0.011 0.000 1.062 213 A CA -0.664 51.388 52.037 0.026 0.000 0.666 213 A CB 1.099 20.197 19.000 0.164 0.000 1.281 213 A HN 0.139 nan 8.150 nan 0.000 0.421 214 L N 0.416 121.658 121.223 0.033 0.000 2.455 214 L HA 0.663 5.003 4.340 -0.000 0.000 0.264 214 L C -0.550 176.396 176.870 0.127 0.000 0.968 214 L CA -0.380 54.504 54.840 0.073 0.000 0.827 214 L CB 2.437 44.528 42.059 0.054 0.000 1.317 214 L HN 0.884 nan 8.230 nan 0.000 0.407 215 Q N 2.492 122.403 119.800 0.185 0.000 2.321 215 Q HA 0.561 4.901 4.340 -0.000 0.000 0.270 215 Q C -1.824 174.298 176.000 0.203 0.000 1.032 215 Q CA -0.774 55.108 55.803 0.132 0.000 0.784 215 Q CB 2.521 31.259 28.738 0.001 0.000 1.264 215 Q HN 0.523 nan 8.270 nan 0.000 0.448 216 L N 4.567 125.883 121.223 0.155 0.000 2.265 216 L HA 0.487 4.827 4.340 -0.000 0.000 0.289 216 L C -1.562 175.412 176.870 0.174 0.000 1.033 216 L CA 0.004 54.996 54.840 0.253 0.000 0.814 216 L CB 0.654 42.870 42.059 0.261 0.000 1.203 216 L HN 0.603 nan 8.230 nan 0.000 0.423 217 F N 3.407 123.546 119.950 0.315 0.000 2.375 217 F HA 0.306 4.832 4.527 -0.000 0.000 0.362 217 F C 0.616 176.560 175.800 0.240 0.000 1.129 217 F CA -0.381 57.820 58.000 0.335 0.000 1.154 217 F CB 0.928 40.130 39.000 0.336 0.000 1.205 217 F HN 0.455 nan 8.300 nan 0.000 0.513 218 E N 1.542 121.926 120.200 0.306 0.000 2.597 218 E HA 0.224 4.574 4.350 -0.000 0.000 0.235 218 E C 0.506 177.194 176.600 0.147 0.000 1.155 218 E CA -0.035 56.505 56.400 0.233 0.000 1.199 218 E CB 0.134 29.961 29.700 0.212 0.000 1.409 218 E HN 0.478 nan 8.360 nan 0.000 0.453 219 S N 0.819 116.633 115.700 0.189 0.000 2.423 219 S HA -0.103 4.367 4.470 -0.000 0.000 0.231 219 S C 0.530 175.247 174.600 0.195 0.000 1.014 219 S CA 0.818 59.107 58.200 0.148 0.000 0.965 219 S CB -0.277 63.042 63.200 0.199 0.000 0.785 219 S HN 0.620 nan 8.310 nan 0.000 0.495 220 H N -0.009 119.202 119.070 0.236 0.000 2.539 220 H HA 0.483 5.039 4.556 -0.000 0.000 0.293 220 H C 1.407 177.079 175.328 0.573 0.000 1.156 220 H CA -0.138 56.115 56.048 0.341 0.000 1.012 220 H CB 0.215 30.040 29.762 0.105 0.000 1.600 220 H HN 0.349 nan 8.280 nan 0.000 0.538 221 A N 0.450 123.568 122.820 0.496 0.000 1.930 221 A HA -0.020 4.300 4.320 -0.000 0.000 0.215 221 A C 2.548 180.376 177.584 0.407 0.000 1.176 221 A CA 1.153 53.487 52.037 0.495 0.000 0.632 221 A CB -0.690 18.427 19.000 0.195 0.000 0.819 221 A HN 0.566 nan 8.150 nan 0.000 0.445 222 G N -1.354 107.571 108.800 0.208 0.000 2.479 222 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 222 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 222 G C 1.333 176.283 174.900 0.083 0.000 1.115 222 G CA 0.983 46.169 45.100 0.143 0.000 0.757 222 G HN 0.715 nan 8.290 nan 0.000 0.560 223 H N -0.348 118.875 119.070 0.256 0.000 2.524 223 H HA 0.169 4.724 4.556 -0.000 0.000 0.282 223 H C 1.018 176.434 175.328 0.146 0.000 1.016 223 H CA 0.350 56.517 56.048 0.198 0.000 1.270 223 H CB 0.223 30.128 29.762 0.237 0.000 1.394 223 H HN 0.252 nan 8.280 nan 0.000 0.568 224 L N -0.056 121.308 121.223 0.234 0.000 2.387 224 L HA 0.433 4.773 4.340 -0.000 0.000 0.266 224 L C 1.134 177.864 176.870 -0.233 0.000 1.059 224 L CA -0.715 54.137 54.840 0.020 0.000 0.801 224 L CB 1.499 43.538 42.059 -0.032 0.000 1.223 224 L HN 0.038 nan 8.230 nan 0.000 0.456 225 G N -0.013 108.586 108.800 -0.335 0.000 2.552 225 G HA2 0.428 4.388 3.960 -0.000 0.000 0.318 225 G HA3 0.428 4.388 3.960 -0.000 0.000 0.318 225 G C -2.250 172.257 174.900 -0.655 0.000 1.240 225 G CA -1.116 43.589 45.100 -0.659 0.000 1.002 225 G HN 0.367 nan 8.290 nan 0.000 0.493 226 P HA -0.169 nan 4.420 nan 0.000 0.215 226 P C 1.862 179.161 177.300 -0.001 0.000 1.163 226 P CA 1.561 64.553 63.100 -0.180 0.000 0.894 226 P CB 0.186 31.817 31.700 -0.114 0.000 0.791 227 Q N -0.999 118.771 119.800 -0.051 0.000 2.030 227 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 227 Q C 2.295 178.280 176.000 -0.025 0.000 0.986 227 Q CA 1.287 57.083 55.803 -0.013 0.000 0.843 227 Q CB -0.829 27.902 28.738 -0.012 0.000 0.904 227 Q HN 0.243 nan 8.270 nan 0.000 0.420 228 L N -0.362 120.816 121.223 -0.075 0.000 2.046 228 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 228 L C 2.338 179.118 176.870 -0.151 0.000 1.077 228 L CA 1.007 55.747 54.840 -0.167 0.000 0.747 228 L CB -0.337 41.561 42.059 -0.268 0.000 0.896 228 L HN 0.255 nan 8.230 nan 0.000 0.432 229 F N 1.390 121.236 119.950 -0.173 0.000 2.095 229 F HA -0.290 4.237 4.527 -0.000 0.000 0.298 229 F C 2.358 178.135 175.800 -0.037 0.000 1.104 229 F CA 1.868 59.817 58.000 -0.085 0.000 1.232 229 F CB -0.205 38.890 39.000 0.159 0.000 0.987 229 F HN 0.175 nan 8.300 nan 0.000 0.475 230 N N 0.268 119.059 118.700 0.153 0.000 2.381 230 N HA -0.131 4.609 4.740 -0.000 0.000 0.182 230 N C 1.706 177.196 175.510 -0.034 0.000 1.025 230 N CA 0.912 54.004 53.050 0.071 0.000 0.888 230 N CB -0.318 38.237 38.487 0.114 0.000 0.965 230 N HN 0.400 nan 8.380 nan 0.000 0.438 231 K N 0.145 120.514 120.400 -0.051 0.000 2.098 231 K HA 0.164 4.483 4.320 -0.000 0.000 0.203 231 K C 1.438 178.032 176.600 -0.009 0.000 1.051 231 K CA 0.643 56.914 56.287 -0.027 0.000 0.957 231 K CB 0.273 32.751 32.500 -0.037 0.000 0.738 231 K HN 0.054 nan 8.250 nan 0.000 0.447 232 L N -1.535 119.612 121.223 -0.126 0.000 2.685 232 L HA 0.265 4.605 4.340 -0.000 0.000 0.235 232 L C 1.834 178.696 176.870 -0.013 0.000 1.070 232 L CA 0.191 54.989 54.840 -0.069 0.000 0.888 232 L CB 0.565 42.464 42.059 -0.267 0.000 1.203 232 L HN 0.049 nan 8.230 nan 0.000 0.499 233 A N 0.008 122.624 122.820 -0.339 0.000 1.887 233 A HA 0.003 4.322 4.320 -0.000 0.000 0.210 233 A C 1.985 179.338 177.584 -0.385 0.000 1.221 233 A CA 0.522 52.305 52.037 -0.425 0.000 0.635 233 A CB -0.517 17.885 19.000 -0.997 0.000 0.881 233 A HN 0.177 nan 8.150 nan 0.000 0.456 234 L N 0.759 121.615 121.223 -0.611 0.000 2.043 234 L HA -0.074 4.266 4.340 -0.000 0.000 0.212 234 L C -0.879 175.923 176.870 -0.115 0.000 1.075 234 L CA 2.402 57.084 54.840 -0.264 0.000 0.752 234 L CB -1.088 40.918 42.059 -0.088 0.000 0.891 234 L HN 0.170 nan 8.230 nan 0.000 0.432 235 P HA -0.195 nan 4.420 nan 0.000 0.215 235 P C 1.021 178.117 177.300 -0.340 0.000 1.153 235 P CA 1.768 64.683 63.100 -0.308 0.000 0.853 235 P CB -0.157 31.237 31.700 -0.511 0.000 0.788 236 Y N -1.579 118.742 120.300 0.034 0.000 2.337 236 Y HA 0.002 4.552 4.550 -0.000 0.000 0.293 236 Y C 2.265 178.228 175.900 0.106 0.000 1.123 236 Y CA 0.432 58.576 58.100 0.073 0.000 1.201 236 Y CB -0.941 37.567 38.460 0.080 0.000 1.011 236 Y HN -0.123 nan 8.280 nan 0.000 0.545 237 I N -0.080 120.610 120.570 0.200 0.000 2.315 237 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 237 I C 2.246 178.552 176.117 0.315 0.000 1.117 237 I CA 1.360 62.800 61.300 0.234 0.000 1.404 237 I CB -0.262 37.817 38.000 0.132 0.000 1.071 237 I HN 0.160 nan 8.210 nan 0.000 0.419 238 R N 0.409 121.023 120.500 0.190 0.000 2.073 238 R HA -0.126 4.214 4.340 -0.000 0.000 0.229 238 R C 1.885 178.245 176.300 0.099 0.000 1.120 238 R CA 1.301 57.494 56.100 0.156 0.000 0.967 238 R CB -0.268 30.075 30.300 0.070 0.000 0.862 238 R HN 0.305 nan 8.270 nan 0.000 0.436 239 D N 0.236 120.684 120.400 0.080 0.000 2.117 239 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 239 D C 1.968 178.327 176.300 0.099 0.000 0.987 239 D CA 1.002 55.047 54.000 0.075 0.000 0.829 239 D CB -0.152 40.701 40.800 0.089 0.000 0.961 239 D HN -0.019 nan 8.370 nan 0.000 0.460 240 V N 1.564 121.570 119.914 0.153 0.000 2.255 240 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 240 V C 2.578 178.704 176.094 0.054 0.000 1.051 240 V CA 2.030 64.418 62.300 0.146 0.000 1.018 240 V CB -0.878 31.083 31.823 0.231 0.000 0.641 240 V HN 0.194 nan 8.190 nan 0.000 0.445 241 A N -0.379 122.423 122.820 -0.029 0.000 1.902 241 A HA -0.288 4.032 4.320 -0.000 0.000 0.217 241 A C 2.347 179.847 177.584 -0.139 0.000 1.181 241 A CA 2.337 54.211 52.037 -0.271 0.000 0.623 241 A CB -0.531 18.020 19.000 -0.748 0.000 0.818 241 A HN 0.555 nan 8.150 nan 0.000 0.443 242 K N -0.509 119.852 120.400 -0.065 0.000 2.002 242 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 242 K C 2.256 178.849 176.600 -0.011 0.000 1.048 242 K CA 1.808 58.077 56.287 -0.030 0.000 0.930 242 K CB -0.268 32.229 32.500 -0.005 0.000 0.714 242 K HN 0.623 nan 8.250 nan 0.000 0.438 243 Q N 0.057 119.863 119.800 0.010 0.000 2.119 243 Q HA -0.113 4.227 4.340 -0.000 0.000 0.201 243 Q C 2.137 178.146 176.000 0.016 0.000 0.972 243 Q CA 1.359 57.175 55.803 0.022 0.000 0.847 243 Q CB 0.092 28.857 28.738 0.044 0.000 0.903 243 Q HN 0.163 nan 8.270 nan 0.000 0.433 244 V N 1.322 121.240 119.914 0.008 0.000 2.358 244 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 244 V C 2.031 178.120 176.094 -0.007 0.000 1.047 244 V CA 1.770 64.071 62.300 0.002 0.000 1.035 244 V CB -0.376 31.444 31.823 -0.005 0.000 0.658 244 V HN 0.296 nan 8.190 nan 0.000 0.452 245 K N 0.223 120.612 120.400 -0.018 0.000 2.057 245 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 245 K C 2.304 178.905 176.600 0.002 0.000 1.049 245 K CA 1.480 57.763 56.287 -0.007 0.000 0.931 245 K CB -0.409 32.082 32.500 -0.014 0.000 0.714 245 K HN 0.474 nan 8.250 nan 0.000 0.440 246 A N 1.637 124.458 122.820 0.001 0.000 1.902 246 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 246 A C 2.057 179.645 177.584 0.006 0.000 1.181 246 A CA 1.263 53.303 52.037 0.005 0.000 0.623 246 A CB -0.346 18.658 19.000 0.007 0.000 0.818 246 A HN 0.198 nan 8.150 nan 0.000 0.443 247 R N -0.664 119.841 120.500 0.007 0.000 2.092 247 R HA 0.046 4.385 4.340 -0.000 0.000 0.231 247 R C 2.015 178.316 176.300 0.001 0.000 1.119 247 R CA 1.145 57.249 56.100 0.007 0.000 0.970 247 R CB -0.443 29.863 30.300 0.010 0.000 0.864 247 R HN 0.487 nan 8.270 nan 0.000 0.440 248 L N 0.213 121.437 121.223 0.001 0.000 2.093 248 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 248 L C 2.532 179.405 176.870 0.004 0.000 1.085 248 L CA 1.423 56.263 54.840 0.000 0.000 0.755 248 L CB -0.282 41.780 42.059 0.006 0.000 0.904 248 L HN 0.164 nan 8.230 nan 0.000 0.435 249 R N -0.056 120.447 120.500 0.006 0.000 2.066 249 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 249 R C 2.099 178.400 176.300 0.002 0.000 1.131 249 R CA 1.232 57.335 56.100 0.004 0.000 0.955 249 R CB -0.247 30.055 30.300 0.004 0.000 0.851 249 R HN 0.411 nan 8.270 nan 0.000 0.432 250 E N 0.490 120.692 120.200 0.002 0.000 2.204 250 E HA -0.131 4.218 4.350 -0.000 0.000 0.195 250 E C 1.510 178.111 176.600 0.001 0.000 0.990 250 E CA 1.015 57.416 56.400 0.002 0.000 0.821 250 E CB 0.030 29.733 29.700 0.004 0.000 0.750 250 E HN 0.338 nan 8.360 nan 0.000 0.477 251 A N 0.072 122.892 122.820 -0.000 0.000 2.251 251 A HA 0.291 4.611 4.320 -0.000 0.000 0.209 251 A C 1.716 179.300 177.584 -0.001 0.000 1.187 251 A CA 0.714 52.750 52.037 -0.002 0.000 0.823 251 A CB -0.188 18.807 19.000 -0.007 0.000 0.846 251 A HN 0.317 nan 8.150 nan 0.000 0.486 252 G N -1.230 107.570 108.800 0.000 0.000 2.179 252 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.260 252 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.260 252 G C 0.159 175.062 174.900 0.004 0.000 0.977 252 G CA 0.451 45.552 45.100 0.001 0.000 0.641 252 G HN 0.444 nan 8.290 nan 0.000 0.533 253 L N 0.557 121.784 121.223 0.007 0.000 2.421 253 L HA 0.695 5.035 4.340 -0.000 0.000 0.263 253 L C 1.050 177.930 176.870 0.017 0.000 1.122 253 L CA -0.422 54.426 54.840 0.014 0.000 0.804 253 L CB 1.371 43.437 42.059 0.012 0.000 1.150 253 L HN 0.261 nan 8.230 nan 0.000 0.457 254 A N 2.797 125.632 122.820 0.026 0.000 2.309 254 A HA 0.542 4.862 4.320 -0.000 0.000 0.290 254 A C -2.223 175.400 177.584 0.065 0.000 1.206 254 A CA -1.247 50.809 52.037 0.032 0.000 0.850 254 A CB -0.339 18.678 19.000 0.028 0.000 1.118 254 A HN 0.433 nan 8.150 nan 0.000 0.523 255 P HA 0.213 nan 4.420 nan 0.000 0.267 255 P C -0.142 177.288 177.300 0.215 0.000 1.201 255 P CA 0.032 63.203 63.100 0.119 0.000 0.775 255 P CB 0.569 32.347 31.700 0.129 0.000 0.854 256 V N -0.679 119.326 119.914 0.152 0.000 2.881 256 V HA 0.684 4.803 4.120 -0.000 0.000 0.316 256 V C -2.463 173.609 176.094 -0.037 0.000 1.070 256 V CA -2.830 59.553 62.300 0.138 0.000 0.976 256 V CB 1.313 33.165 31.823 0.047 0.000 1.038 256 V HN 0.376 nan 8.190 nan 0.000 0.446 257 P HA 0.313 nan 4.420 nan 0.000 0.276 257 P C -0.869 176.252 177.300 -0.298 0.000 1.243 257 P CA 0.070 62.743 63.100 -0.711 0.000 0.768 257 P CB 0.667 31.678 31.700 -1.149 0.000 0.856 258 M N 3.699 123.172 119.600 -0.212 0.000 2.268 258 M HA 0.385 4.865 4.480 -0.000 0.000 0.344 258 M C -0.154 176.242 176.300 0.159 0.000 1.106 258 M CA -0.778 54.513 55.300 -0.015 0.000 1.010 258 M CB 1.148 33.695 32.600 -0.089 0.000 1.649 258 M HN 0.162 nan 8.290 nan 0.000 0.443 259 I N 4.111 124.808 120.570 0.212 0.000 2.377 259 I HA 0.427 4.597 4.170 -0.000 0.000 0.293 259 I C -0.530 175.660 176.117 0.121 0.000 0.987 259 I CA -0.436 60.967 61.300 0.171 0.000 1.185 259 I CB 1.525 39.594 38.000 0.116 0.000 1.341 259 I HN 0.551 nan 8.210 nan 0.000 0.455 260 I N 6.785 127.311 120.570 -0.074 0.000 2.355 260 I HA 0.392 4.562 4.170 -0.000 0.000 0.288 260 I C -1.721 174.354 176.117 -0.070 0.000 0.999 260 I CA -0.641 60.465 61.300 -0.323 0.000 1.163 260 I CB 1.088 38.556 38.000 -0.886 0.000 1.316 260 I HN 0.451 nan 8.210 nan 0.000 0.454 261 F N 8.423 128.251 119.950 -0.203 0.000 2.375 261 F HA 0.698 5.225 4.527 -0.000 0.000 0.361 261 F C -0.381 175.393 175.800 -0.044 0.000 1.117 261 F CA -1.018 56.897 58.000 -0.142 0.000 1.037 261 F CB 1.245 40.099 39.000 -0.243 0.000 1.192 261 F HN 0.531 nan 8.300 nan 0.000 0.452 262 A N 7.188 129.702 122.820 -0.510 0.000 2.508 262 A HA 0.338 4.658 4.320 -0.000 0.000 0.336 262 A C -0.179 176.971 177.584 -0.724 0.000 1.360 262 A CA -0.834 50.912 52.037 -0.485 0.000 0.841 262 A CB 0.038 18.844 19.000 -0.324 0.000 1.136 262 A HN 0.757 nan 8.150 nan 0.000 0.489 263 K N 2.137 121.987 120.400 -0.916 0.000 2.451 263 K HA 0.085 4.405 4.320 -0.000 0.000 0.280 263 K C -0.483 175.891 176.600 -0.377 0.000 1.020 263 K CA 0.307 56.179 56.287 -0.691 0.000 1.008 263 K CB 0.160 32.375 32.500 -0.476 0.000 0.917 263 K HN 0.692 nan 8.250 nan 0.000 0.478 264 D N 2.201 122.393 120.400 -0.346 0.000 2.945 264 D HA -0.153 4.487 4.640 -0.000 0.000 0.225 264 D C 0.206 176.331 176.300 -0.292 0.000 1.158 264 D CA 1.329 55.192 54.000 -0.228 0.000 0.805 264 D CB -1.142 39.567 40.800 -0.152 0.000 1.098 264 D HN 0.838 nan 8.370 nan 0.000 0.426 265 G N -0.468 108.011 108.800 -0.534 0.000 3.702 265 G HA2 0.210 4.170 3.960 -0.000 0.000 0.288 265 G HA3 0.210 4.170 3.960 -0.000 0.000 0.288 265 G C 1.045 175.297 174.900 -1.081 0.000 1.193 265 G CA 0.199 44.651 45.100 -1.080 0.000 0.952 265 G HN 0.580 nan 8.290 nan 0.000 0.544 266 H N -0.318 118.407 119.070 -0.575 0.000 2.357 266 H HA -0.243 4.313 4.556 -0.000 0.000 0.296 266 H C 1.901 177.041 175.328 -0.313 0.000 1.108 266 H CA 1.770 57.615 56.048 -0.340 0.000 1.273 266 H CB -0.776 28.880 29.762 -0.176 0.000 1.367 266 H HN 0.476 nan 8.280 nan 0.000 0.498 267 F N -0.007 119.346 119.950 -0.994 0.000 2.546 267 F HA 0.326 4.852 4.527 -0.000 0.000 0.298 267 F C 2.009 177.580 175.800 -0.382 0.000 1.120 267 F CA 0.373 58.031 58.000 -0.570 0.000 1.456 267 F CB -0.289 38.331 39.000 -0.634 0.000 1.088 267 F HN 0.357 nan 8.300 nan 0.000 0.572 268 A N 0.213 122.552 122.820 -0.801 0.000 2.508 268 A HA 0.405 4.725 4.320 -0.000 0.000 0.257 268 A C 1.737 179.120 177.584 -0.336 0.000 1.226 268 A CA -0.286 51.430 52.037 -0.535 0.000 0.947 268 A CB -0.757 17.645 19.000 -0.995 0.000 1.079 268 A HN 0.432 nan 8.150 nan 0.000 0.531 269 L N -0.400 120.646 121.223 -0.294 0.000 2.081 269 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 269 L C 2.489 179.312 176.870 -0.077 0.000 1.080 269 L CA 2.023 56.765 54.840 -0.164 0.000 0.754 269 L CB -0.256 41.733 42.059 -0.117 0.000 0.893 269 L HN 0.623 nan 8.230 nan 0.000 0.433 270 E N -0.147 120.019 120.200 -0.057 0.000 2.047 270 E HA -0.203 4.147 4.350 -0.000 0.000 0.191 270 E C 2.059 178.663 176.600 0.007 0.000 0.987 270 E CA 1.008 57.400 56.400 -0.013 0.000 0.799 270 E CB 0.217 29.916 29.700 -0.002 0.000 0.752 270 E HN 0.421 nan 8.360 nan 0.000 0.449 271 E N 0.635 120.842 120.200 0.011 0.000 2.106 271 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 271 E C 2.350 178.988 176.600 0.065 0.000 0.984 271 E CA 0.658 57.090 56.400 0.054 0.000 0.806 271 E CB -0.285 29.474 29.700 0.100 0.000 0.750 271 E HN 0.389 nan 8.360 nan 0.000 0.458 272 L N 0.672 121.913 121.223 0.030 0.000 2.131 272 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 272 L C 2.396 179.298 176.870 0.055 0.000 1.092 272 L CA 0.970 55.827 54.840 0.029 0.000 0.759 272 L CB -0.493 41.533 42.059 -0.054 0.000 0.903 272 L HN 0.048 nan 8.230 nan 0.000 0.435 273 A N -0.794 122.051 122.820 0.042 0.000 2.216 273 A HA -0.129 4.191 4.320 -0.000 0.000 0.214 273 A C 1.792 179.423 177.584 0.078 0.000 1.160 273 A CA 0.985 53.058 52.037 0.060 0.000 0.725 273 A CB -0.198 18.827 19.000 0.042 0.000 0.784 273 A HN 0.548 nan 8.150 nan 0.000 0.472 274 Q N -1.584 118.266 119.800 0.083 0.000 2.139 274 Q HA 0.382 4.722 4.340 -0.000 0.000 0.219 274 Q C 1.255 177.320 176.000 0.108 0.000 0.805 274 Q CA 0.339 56.192 55.803 0.082 0.000 1.024 274 Q CB 0.671 29.445 28.738 0.061 0.000 1.163 274 Q HN 0.526 nan 8.270 nan 0.000 0.485 275 A N 0.429 123.346 122.820 0.163 0.000 2.208 275 A HA 0.363 4.683 4.320 -0.000 0.000 0.209 275 A C 1.432 179.177 177.584 0.268 0.000 1.161 275 A CA 0.866 53.043 52.037 0.234 0.000 0.782 275 A CB -0.141 19.028 19.000 0.281 0.000 0.816 275 A HN 0.431 nan 8.150 nan 0.000 0.477 276 G N -2.335 106.576 108.800 0.186 0.000 2.131 276 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.201 276 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.201 276 G C -0.347 174.480 174.900 -0.122 0.000 1.000 276 G CA 0.066 45.182 45.100 0.026 0.000 0.680 276 G HN 0.374 nan 8.290 nan 0.000 0.514 277 Y N -0.345 119.970 120.300 0.026 0.000 2.429 277 Y HA 0.603 5.153 4.550 -0.000 0.000 0.342 277 Y C 1.255 177.141 175.900 -0.022 0.000 1.004 277 Y CA -0.988 57.113 58.100 0.001 0.000 1.075 277 Y CB 1.620 40.088 38.460 0.014 0.000 1.214 277 Y HN 0.043 nan 8.280 nan 0.000 0.455 278 E N 0.952 121.166 120.200 0.023 0.000 2.152 278 E HA 0.026 4.376 4.350 -0.000 0.000 0.192 278 E C -0.354 176.227 176.600 -0.032 0.000 0.983 278 E CA 0.785 57.147 56.400 -0.063 0.000 0.818 278 E CB 0.151 29.656 29.700 -0.326 0.000 0.758 278 E HN 0.304 nan 8.360 nan 0.000 0.467 279 V N 0.085 120.004 119.914 0.008 0.000 2.823 279 V HA 0.427 4.547 4.120 -0.000 0.000 0.312 279 V C -0.581 175.554 176.094 0.067 0.000 1.072 279 V CA -1.060 61.251 62.300 0.018 0.000 0.937 279 V CB 2.440 34.248 31.823 -0.026 0.000 1.013 279 V HN -0.281 nan 8.190 nan 0.000 0.430 280 V N 2.301 122.254 119.914 0.064 0.000 2.409 280 V HA 0.653 4.773 4.120 -0.000 0.000 0.290 280 V C 0.630 176.782 176.094 0.098 0.000 1.017 280 V CA -0.331 62.002 62.300 0.056 0.000 0.841 280 V CB 1.675 33.523 31.823 0.042 0.000 1.003 280 V HN 1.042 nan 8.190 nan 0.000 0.426 281 G N 5.114 113.999 108.800 0.142 0.000 2.390 281 G HA2 0.622 4.582 3.960 -0.000 0.000 0.270 281 G HA3 0.622 4.582 3.960 -0.000 0.000 0.270 281 G C -0.764 174.335 174.900 0.331 0.000 1.211 281 G CA -0.304 44.946 45.100 0.249 0.000 0.842 281 G HN 0.579 nan 8.290 nan 0.000 0.519 282 L N 1.285 122.692 121.223 0.307 0.000 2.342 282 L HA 0.423 4.763 4.340 -0.000 0.000 0.271 282 L C -0.220 176.858 176.870 0.348 0.000 1.008 282 L CA -1.203 53.792 54.840 0.258 0.000 0.818 282 L CB 2.264 44.463 42.059 0.233 0.000 1.296 282 L HN 0.720 nan 8.230 nan 0.000 0.427 283 D N -1.058 119.459 120.400 0.195 0.000 2.423 283 D HA 0.092 4.732 4.640 -0.000 0.000 0.255 283 D C 0.611 176.974 176.300 0.107 0.000 1.174 283 D CA -0.681 53.417 54.000 0.163 0.000 1.008 283 D CB 0.581 41.261 40.800 -0.201 0.000 1.101 283 D HN 0.623 nan 8.370 nan 0.000 0.516 284 W N -0.762 120.585 121.300 0.078 0.000 2.825 284 W HA 0.022 4.682 4.660 -0.000 0.000 0.243 284 W C 1.457 177.986 176.519 0.017 0.000 1.293 284 W CA 0.710 58.082 57.345 0.044 0.000 1.403 284 W CB -0.952 28.518 29.460 0.016 0.000 1.134 284 W HN 0.416 nan 8.180 nan 0.000 0.666 285 T N -1.511 112.725 114.554 -0.531 0.000 3.043 285 T HA 0.049 4.399 4.350 -0.000 0.000 0.263 285 T C 0.618 175.205 174.700 -0.188 0.000 1.094 285 T CA 0.342 62.219 62.100 -0.373 0.000 1.127 285 T CB -0.699 67.879 68.868 -0.482 0.000 0.905 285 T HN -0.070 nan 8.240 nan 0.000 0.490 286 V N 2.611 122.441 119.914 -0.140 0.000 2.461 286 V HA 0.648 4.768 4.120 -0.000 0.000 0.275 286 V C 0.837 176.881 176.094 -0.084 0.000 1.047 286 V CA -1.259 60.984 62.300 -0.095 0.000 0.955 286 V CB 0.343 32.129 31.823 -0.062 0.000 0.988 286 V HN 0.648 nan 8.190 nan 0.000 0.471 287 A N 7.074 129.830 122.820 -0.106 0.000 2.488 287 A HA 0.419 4.739 4.320 -0.000 0.000 0.249 287 A C -1.173 176.271 177.584 -0.234 0.000 1.083 287 A CA -0.916 51.034 52.037 -0.145 0.000 0.768 287 A CB 0.060 18.985 19.000 -0.124 0.000 1.017 287 A HN 0.721 nan 8.150 nan 0.000 0.496 288 P HA -0.222 nan 4.420 nan 0.000 0.215 288 P C 1.213 178.222 177.300 -0.486 0.000 1.163 288 P CA 1.836 64.436 63.100 -0.833 0.000 0.894 288 P CB 0.098 30.908 31.700 -1.483 0.000 0.791 289 K N -0.181 120.011 120.400 -0.346 0.000 2.032 289 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 289 K C 2.049 178.570 176.600 -0.131 0.000 1.048 289 K CA 1.526 57.692 56.287 -0.201 0.000 0.927 289 K CB -0.317 32.091 32.500 -0.153 0.000 0.712 289 K HN 0.172 nan 8.250 nan 0.000 0.441 290 K N 0.392 120.718 120.400 -0.122 0.000 2.148 290 K HA -0.069 4.250 4.320 -0.000 0.000 0.204 290 K C 2.223 178.785 176.600 -0.063 0.000 1.050 290 K CA 1.038 57.278 56.287 -0.079 0.000 0.942 290 K CB -0.088 32.368 32.500 -0.072 0.000 0.724 290 K HN 0.129 nan 8.250 nan 0.000 0.446 291 A N 1.626 124.398 122.820 -0.080 0.000 1.902 291 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 291 A C 2.121 179.699 177.584 -0.011 0.000 1.181 291 A CA 1.539 53.554 52.037 -0.037 0.000 0.623 291 A CB -0.390 18.600 19.000 -0.017 0.000 0.818 291 A HN 0.114 nan 8.150 nan 0.000 0.443 292 R N 0.312 120.796 120.500 -0.027 0.000 2.091 292 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 292 R C 1.965 178.268 176.300 0.004 0.000 1.136 292 R CA 2.071 58.175 56.100 0.007 0.000 0.959 292 R CB -0.520 29.774 30.300 -0.010 0.000 0.856 292 R HN 0.719 nan 8.270 nan 0.000 0.437 293 E N -0.791 119.400 120.200 -0.015 0.000 2.023 293 E HA -0.237 4.113 4.350 -0.000 0.000 0.196 293 E C 2.173 178.772 176.600 -0.002 0.000 1.003 293 E CA 1.694 58.088 56.400 -0.009 0.000 0.809 293 E CB -0.276 29.413 29.700 -0.019 0.000 0.755 293 E HN 0.374 nan 8.360 nan 0.000 0.449 294 C N 0.443 119.738 119.300 -0.007 0.000 2.413 294 C HA -0.130 4.330 4.460 -0.000 0.000 0.276 294 C C 2.922 177.913 174.990 0.002 0.000 1.248 294 C CA 1.053 60.068 59.018 -0.006 0.000 1.742 294 C CB -1.034 26.695 27.740 -0.017 0.000 2.017 294 C HN 0.458 nan 8.230 nan 0.000 0.481 295 V N -0.588 119.332 119.914 0.012 0.000 2.719 295 V HA 0.465 4.585 4.120 -0.000 0.000 0.252 295 V C 1.169 177.282 176.094 0.033 0.000 1.065 295 V CA 1.427 63.742 62.300 0.025 0.000 1.086 295 V CB -1.289 30.559 31.823 0.042 0.000 0.700 295 V HN 0.911 nan 8.190 nan 0.000 0.467 296 G N 1.562 110.380 108.800 0.030 0.000 2.418 296 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.206 296 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.206 296 G C 0.208 175.133 174.900 0.041 0.000 1.202 296 G CA 0.094 45.213 45.100 0.032 0.000 1.061 296 G HN 0.896 nan 8.290 nan 0.000 0.563 297 K N -1.410 119.014 120.400 0.040 0.000 2.477 297 K HA 0.412 4.731 4.320 -0.000 0.000 0.208 297 K C 1.505 178.134 176.600 0.048 0.000 1.117 297 K CA 0.873 57.188 56.287 0.046 0.000 1.039 297 K CB 0.786 33.306 32.500 0.033 0.000 0.937 297 K HN 0.350 nan 8.250 nan 0.000 0.570 298 T N 1.555 116.138 114.554 0.049 0.000 2.837 298 T HA 0.025 4.375 4.350 -0.000 0.000 0.248 298 T C 1.070 175.808 174.700 0.064 0.000 1.033 298 T CA 0.729 62.860 62.100 0.053 0.000 1.150 298 T CB 0.013 68.911 68.868 0.050 0.000 0.865 298 T HN 0.249 nan 8.240 nan 0.000 0.425 299 V N 1.512 121.465 119.914 0.065 0.000 3.185 299 V HA 0.409 4.529 4.120 -0.000 0.000 0.305 299 V C 0.049 176.185 176.094 0.070 0.000 1.090 299 V CA -0.630 61.710 62.300 0.066 0.000 1.107 299 V CB 0.478 32.342 31.823 0.069 0.000 1.061 299 V HN 0.172 nan 8.190 nan 0.000 0.480 300 T N 4.328 118.913 114.554 0.051 0.000 2.875 300 T HA 0.592 4.942 4.350 -0.000 0.000 0.284 300 T C -0.211 174.535 174.700 0.078 0.000 0.995 300 T CA -0.302 61.831 62.100 0.054 0.000 1.060 300 T CB 0.908 69.767 68.868 -0.016 0.000 0.967 300 T HN 0.614 nan 8.240 nan 0.000 0.476 301 L N 3.061 124.365 121.223 0.135 0.000 2.295 301 L HA 0.470 4.810 4.340 -0.000 0.000 0.285 301 L C 0.303 177.248 176.870 0.125 0.000 1.035 301 L CA -0.700 54.241 54.840 0.170 0.000 0.806 301 L CB 1.549 43.788 42.059 0.300 0.000 1.214 301 L HN 0.565 nan 8.230 nan 0.000 0.426 302 Q N 2.024 121.872 119.800 0.080 0.000 2.278 302 Q HA 0.632 4.972 4.340 -0.000 0.000 0.257 302 Q C -0.605 175.395 176.000 -0.001 0.000 0.928 302 Q CA -0.481 55.319 55.803 -0.005 0.000 0.932 302 Q CB 1.861 30.619 28.738 0.032 0.000 1.221 302 Q HN 0.772 nan 8.270 nan 0.000 0.434 303 G N 2.573 111.318 108.800 -0.093 0.000 2.667 303 G HA2 0.158 4.118 3.960 -0.000 0.000 0.298 303 G HA3 0.158 4.118 3.960 -0.000 0.000 0.298 303 G C -0.294 174.700 174.900 0.156 0.000 1.377 303 G CA -0.833 44.293 45.100 0.043 0.000 0.964 303 G HN 0.880 nan 8.290 nan 0.000 0.493 304 N N 0.726 119.584 118.700 0.262 0.000 2.548 304 N HA -0.196 4.544 4.740 -0.000 0.000 0.243 304 N C 0.313 175.965 175.510 0.237 0.000 1.626 304 N CA 0.361 53.580 53.050 0.282 0.000 0.958 304 N CB -0.619 38.079 38.487 0.353 0.000 1.346 304 N HN 0.442 nan 8.380 nan 0.000 0.623 305 L N 0.203 121.491 121.223 0.109 0.000 2.490 305 L HA 0.096 4.436 4.340 -0.000 0.000 0.274 305 L C 0.268 177.056 176.870 -0.137 0.000 1.201 305 L CA -0.011 54.822 54.840 -0.012 0.000 0.869 305 L CB 0.215 42.179 42.059 -0.158 0.000 1.123 305 L HN 0.161 nan 8.230 nan 0.000 0.484 306 D N 7.010 127.312 120.400 -0.163 0.000 2.451 306 D HA 0.024 4.664 4.640 -0.000 0.000 0.254 306 D C -1.590 174.331 176.300 -0.632 0.000 1.204 306 D CA -1.489 52.193 54.000 -0.529 0.000 0.896 306 D CB 1.037 41.518 40.800 -0.531 0.000 1.136 306 D HN 0.391 nan 8.370 nan 0.000 0.499 307 P HA -0.177 nan 4.420 nan 0.000 0.216 307 P C 1.239 177.997 177.300 -0.904 0.000 1.150 307 P CA 0.804 63.379 63.100 -0.874 0.000 0.843 307 P CB -0.001 31.067 31.700 -1.054 0.000 0.787 308 C N -0.346 118.477 119.300 -0.794 0.000 2.437 308 C HA 0.111 4.571 4.460 -0.000 0.000 0.283 308 C C 3.004 177.768 174.990 -0.377 0.000 1.424 308 C CA 0.684 59.378 59.018 -0.541 0.000 1.782 308 C CB -1.989 25.703 27.740 -0.080 0.000 1.833 308 C HN 0.262 nan 8.230 nan 0.000 0.532 309 A N 0.528 123.118 122.820 -0.382 0.000 2.070 309 A HA -0.058 4.262 4.320 -0.000 0.000 0.220 309 A C 1.922 179.372 177.584 -0.224 0.000 1.159 309 A CA 1.122 53.019 52.037 -0.234 0.000 0.656 309 A CB -0.499 18.363 19.000 -0.229 0.000 0.800 309 A HN 0.667 nan 8.150 nan 0.000 0.453 310 L N -1.719 119.272 121.223 -0.387 0.000 2.622 310 L HA -0.107 4.233 4.340 -0.000 0.000 0.233 310 L C 1.717 178.531 176.870 -0.093 0.000 1.156 310 L CA 0.595 55.261 54.840 -0.289 0.000 0.866 310 L CB -0.536 41.262 42.059 -0.435 0.000 0.980 310 L HN 0.535 nan 8.230 nan 0.000 0.448 311 Y N 0.164 120.452 120.300 -0.019 0.000 2.519 311 Y HA 0.133 4.683 4.550 -0.000 0.000 0.287 311 Y C 1.874 177.825 175.900 0.085 0.000 1.128 311 Y CA -0.402 57.714 58.100 0.027 0.000 1.282 311 Y CB 0.067 38.517 38.460 -0.016 0.000 1.027 311 Y HN 0.160 nan 8.280 nan 0.000 0.551 312 A N 0.594 123.523 122.820 0.180 0.000 2.310 312 A HA 0.300 4.620 4.320 -0.000 0.000 0.260 312 A C 0.649 178.284 177.584 0.085 0.000 1.112 312 A CA -0.105 51.995 52.037 0.105 0.000 0.804 312 A CB -0.112 18.907 19.000 0.031 0.000 1.081 312 A HN 0.300 nan 8.150 nan 0.000 0.499 313 S N -0.651 115.065 115.700 0.027 0.000 2.589 313 S HA 0.099 4.569 4.470 -0.000 0.000 0.265 313 S C 0.670 175.140 174.600 -0.217 0.000 1.342 313 S CA 0.428 58.597 58.200 -0.052 0.000 1.005 313 S CB 0.375 63.571 63.200 -0.007 0.000 0.909 313 S HN 0.679 nan 8.310 nan 0.000 0.555 314 E N 0.536 120.541 120.200 -0.325 0.000 2.118 314 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 314 E C 1.954 178.484 176.600 -0.117 0.000 0.992 314 E CA 1.442 57.673 56.400 -0.281 0.000 0.804 314 E CB -0.155 29.420 29.700 -0.208 0.000 0.741 314 E HN 0.890 nan 8.360 nan 0.000 0.458 315 E N 1.117 121.275 120.200 -0.070 0.000 2.051 315 E HA -0.233 4.117 4.350 -0.000 0.000 0.192 315 E C 1.771 178.361 176.600 -0.018 0.000 0.991 315 E CA 1.166 57.551 56.400 -0.024 0.000 0.799 315 E CB 0.101 29.794 29.700 -0.011 0.000 0.748 315 E HN 0.275 nan 8.360 nan 0.000 0.449 316 E N 0.219 120.402 120.200 -0.029 0.000 2.150 316 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 316 E C 2.182 178.768 176.600 -0.023 0.000 0.985 316 E CA 1.010 57.399 56.400 -0.020 0.000 0.814 316 E CB -0.056 29.636 29.700 -0.013 0.000 0.752 316 E HN 0.390 nan 8.360 nan 0.000 0.466 317 I N 0.867 121.412 120.570 -0.041 0.000 2.202 317 I HA -0.176 3.994 4.170 -0.000 0.000 0.242 317 I C 2.586 178.717 176.117 0.023 0.000 1.091 317 I CA 1.174 62.459 61.300 -0.024 0.000 1.368 317 I CB -0.586 37.380 38.000 -0.058 0.000 1.058 317 I HN 0.156 nan 8.210 nan 0.000 0.410 318 G N 0.214 109.032 108.800 0.030 0.000 2.440 318 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 318 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 318 G C 1.572 176.482 174.900 0.018 0.000 1.154 318 G CA 0.634 45.790 45.100 0.094 0.000 0.767 318 G HN 0.421 nan 8.290 nan 0.000 0.552 319 Q N -0.233 119.560 119.800 -0.012 0.000 2.079 319 Q HA 0.076 4.416 4.340 -0.000 0.000 0.200 319 Q C 2.672 178.630 176.000 -0.070 0.000 0.974 319 Q CA 0.886 56.652 55.803 -0.063 0.000 0.840 319 Q CB -0.275 28.446 28.738 -0.029 0.000 0.898 319 Q HN 0.431 nan 8.270 nan 0.000 0.430 320 L N -0.030 121.176 121.223 -0.028 0.000 2.083 320 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 320 L C 2.300 179.178 176.870 0.012 0.000 1.083 320 L CA 0.627 55.461 54.840 -0.010 0.000 0.752 320 L CB -0.373 41.683 42.059 -0.005 0.000 0.899 320 L HN 0.108 nan 8.230 nan 0.000 0.433 321 V N 0.041 119.971 119.914 0.028 0.000 2.358 321 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 321 V C 2.577 178.657 176.094 -0.024 0.000 1.047 321 V CA 1.778 64.124 62.300 0.077 0.000 1.035 321 V CB -0.475 31.421 31.823 0.121 0.000 0.658 321 V HN 0.444 nan 8.190 nan 0.000 0.452 322 K N -0.017 120.239 120.400 -0.240 0.000 2.032 322 K HA -0.310 4.009 4.320 -0.000 0.000 0.209 322 K C 2.280 178.789 176.600 -0.152 0.000 1.048 322 K CA 2.182 58.219 56.287 -0.417 0.000 0.927 322 K CB -0.148 31.923 32.500 -0.715 0.000 0.712 322 K HN 0.381 nan 8.250 nan 0.000 0.441 323 Q N 0.874 120.614 119.800 -0.100 0.000 2.124 323 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 323 Q C 1.996 177.986 176.000 -0.016 0.000 0.977 323 Q CA 1.870 57.642 55.803 -0.053 0.000 0.850 323 Q CB -0.187 28.526 28.738 -0.043 0.000 0.901 323 Q HN 0.448 nan 8.270 nan 0.000 0.429 324 M N -1.015 118.608 119.600 0.038 0.000 2.086 324 M HA -0.164 4.315 4.480 -0.000 0.000 0.261 324 M C 1.201 177.608 176.300 0.179 0.000 1.067 324 M CA 1.289 56.664 55.300 0.126 0.000 1.116 324 M CB -0.034 32.707 32.600 0.236 0.000 1.348 324 M HN 0.341 nan 8.290 nan 0.000 0.407 325 L N 0.859 122.177 121.223 0.158 0.000 2.046 325 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 325 L C 2.010 178.915 176.870 0.059 0.000 1.077 325 L CA 1.784 56.718 54.840 0.158 0.000 0.747 325 L CB -1.186 40.977 42.059 0.174 0.000 0.896 325 L HN 0.305 nan 8.230 nan 0.000 0.432 326 D N -0.385 120.024 120.400 0.014 0.000 2.149 326 D HA -0.180 4.459 4.640 -0.000 0.000 0.198 326 D C 1.705 177.972 176.300 -0.054 0.000 0.990 326 D CA 1.226 55.214 54.000 -0.020 0.000 0.839 326 D CB -0.054 40.727 40.800 -0.032 0.000 0.948 326 D HN 0.344 nan 8.370 nan 0.000 0.460 327 D N -0.765 119.579 120.400 -0.093 0.000 2.162 327 D HA -0.040 4.600 4.640 -0.000 0.000 0.203 327 D C 1.887 178.029 176.300 -0.264 0.000 0.967 327 D CA 0.406 54.290 54.000 -0.194 0.000 0.840 327 D CB -0.402 40.229 40.800 -0.282 0.000 0.972 327 D HN 0.234 nan 8.370 nan 0.000 0.482 328 F N 0.565 120.347 119.950 -0.280 0.000 2.206 328 F HA 0.167 4.693 4.527 -0.000 0.000 0.298 328 F C 1.589 177.222 175.800 -0.278 0.000 1.090 328 F CA 0.925 58.670 58.000 -0.424 0.000 1.323 328 F CB 0.038 38.385 39.000 -1.088 0.000 1.028 328 F HN -0.001 nan 8.300 nan 0.000 0.492 329 G N 0.244 109.030 108.800 -0.023 0.000 2.716 329 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.686 329 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.686 329 G C -1.943 172.920 174.900 -0.062 0.000 1.337 329 G CA -0.476 44.589 45.100 -0.058 0.000 0.829 329 G HN 0.070 nan 8.290 nan 0.000 0.599 330 P HA -0.083 nan 4.420 nan 0.000 0.225 330 P C 0.371 177.611 177.300 -0.100 0.000 1.148 330 P CA 1.113 64.127 63.100 -0.143 0.000 0.779 330 P CB -0.027 31.544 31.700 -0.215 0.000 0.780 331 H N 0.351 119.485 119.070 0.107 0.000 2.481 331 H HA 0.314 4.870 4.556 -0.000 0.000 0.339 331 H C 0.664 176.063 175.328 0.119 0.000 1.131 331 H CA -0.713 55.390 56.048 0.091 0.000 1.301 331 H CB 0.368 30.170 29.762 0.067 0.000 1.476 331 H HN -0.095 nan 8.280 nan 0.000 0.529 332 R N 0.231 120.864 120.500 0.221 0.000 3.109 332 R HA -0.255 4.085 4.340 -0.000 0.000 0.241 332 R C -1.246 175.171 176.300 0.194 0.000 0.882 332 R CA 0.655 56.848 56.100 0.155 0.000 0.604 332 R CB -1.646 28.739 30.300 0.141 0.000 1.040 332 R HN 0.505 nan 8.270 nan 0.000 0.480 333 Y N -0.081 120.205 120.300 -0.023 0.000 2.479 333 Y HA 0.562 5.112 4.550 -0.000 0.000 0.338 333 Y C -1.029 174.798 175.900 -0.122 0.000 1.055 333 Y CA -1.710 56.327 58.100 -0.105 0.000 1.023 333 Y CB 1.378 39.764 38.460 -0.125 0.000 1.287 333 Y HN 0.098 nan 8.280 nan 0.000 0.447 334 I N 5.762 125.965 120.570 -0.612 0.000 2.410 334 I HA 0.647 4.817 4.170 -0.000 0.000 0.286 334 I C -0.095 175.475 176.117 -0.912 0.000 1.009 334 I CA -1.013 59.953 61.300 -0.557 0.000 1.111 334 I CB 1.649 39.574 38.000 -0.125 0.000 1.262 334 I HN 0.838 nan 8.210 nan 0.000 0.443 335 A N 5.610 127.878 122.820 -0.921 0.000 2.407 335 A HA 0.605 4.924 4.320 -0.000 0.000 0.248 335 A C -0.104 177.310 177.584 -0.283 0.000 1.082 335 A CA 0.176 51.839 52.037 -0.624 0.000 0.785 335 A CB 0.571 19.325 19.000 -0.411 0.000 1.020 335 A HN 0.799 nan 8.150 nan 0.000 0.489 336 N N -0.272 118.357 118.700 -0.117 0.000 3.373 336 N HA 0.312 5.051 4.740 -0.000 0.000 0.275 336 N C -1.468 173.983 175.510 -0.098 0.000 1.489 336 N CA -0.550 52.372 53.050 -0.214 0.000 0.872 336 N CB 0.310 38.447 38.487 -0.583 0.000 1.555 336 N HN 0.478 nan 8.380 nan 0.000 0.500 337 L N 0.025 121.061 121.223 -0.312 0.000 2.431 337 L HA 0.494 4.834 4.340 -0.000 0.000 0.260 337 L C 1.844 178.631 176.870 -0.138 0.000 1.098 337 L CA -0.321 54.320 54.840 -0.331 0.000 0.800 337 L CB 0.789 42.548 42.059 -0.500 0.000 1.210 337 L HN 0.838 nan 8.230 nan 0.000 0.465 338 G N -1.919 106.902 108.800 0.036 0.000 2.572 338 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.216 338 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.216 338 G C 0.407 175.621 174.900 0.523 0.000 1.133 338 G CA 0.446 45.771 45.100 0.375 0.000 0.791 338 G HN 0.696 nan 8.290 nan 0.000 0.538 339 H N -2.488 116.650 119.070 0.114 0.000 2.902 339 H HA 0.389 4.945 4.556 -0.000 0.000 0.297 339 H C 0.074 175.333 175.328 -0.115 0.000 1.406 339 H CA -0.773 55.361 56.048 0.142 0.000 1.134 339 H CB 0.960 30.980 29.762 0.430 0.000 1.833 339 H HN 0.147 nan 8.280 nan 0.000 0.527 340 G N 1.116 109.657 108.800 -0.432 0.000 2.614 340 G HA2 0.269 4.229 3.960 -0.000 0.000 0.239 340 G HA3 0.269 4.229 3.960 -0.000 0.000 0.239 340 G C -0.096 174.584 174.900 -0.366 0.000 1.240 340 G CA -0.455 44.409 45.100 -0.395 0.000 0.842 340 G HN 0.413 nan 8.290 nan 0.000 0.584 341 L N 0.298 121.290 121.223 -0.386 0.000 2.467 341 L HA 0.146 4.486 4.340 -0.000 0.000 0.270 341 L C 0.058 176.826 176.870 -0.170 0.000 1.205 341 L CA -0.052 54.502 54.840 -0.477 0.000 0.828 341 L CB 0.388 42.052 42.059 -0.659 0.000 1.101 341 L HN 0.478 nan 8.230 nan 0.000 0.479 342 Y N 1.929 122.068 120.300 -0.270 0.000 2.334 342 Y HA 0.158 4.708 4.550 -0.000 0.000 0.328 342 Y C -1.338 174.529 175.900 -0.054 0.000 1.130 342 Y CA -2.167 55.857 58.100 -0.127 0.000 1.163 342 Y CB 0.911 39.324 38.460 -0.079 0.000 1.207 342 Y HN 0.508 nan 8.280 nan 0.000 0.471 343 P HA -0.224 nan 4.420 nan 0.000 0.218 343 P C 0.556 177.951 177.300 0.157 0.000 1.146 343 P CA 1.769 64.954 63.100 0.142 0.000 0.820 343 P CB 0.119 31.877 31.700 0.095 0.000 0.778 344 D N -2.544 117.961 120.400 0.174 0.000 2.342 344 D HA 0.016 4.656 4.640 -0.000 0.000 0.221 344 D C 0.475 176.889 176.300 0.190 0.000 1.101 344 D CA 0.046 54.148 54.000 0.170 0.000 0.837 344 D CB -0.643 40.254 40.800 0.162 0.000 0.938 344 D HN 0.167 nan 8.370 nan 0.000 0.508 345 M N 0.844 120.529 119.600 0.142 0.000 2.242 345 M HA 0.091 4.570 4.480 -0.000 0.000 0.344 345 M C 0.089 176.434 176.300 0.076 0.000 1.140 345 M CA -0.377 54.936 55.300 0.023 0.000 1.160 345 M CB 0.976 33.444 32.600 -0.220 0.000 1.491 345 M HN -0.225 nan 8.290 nan 0.000 0.459 346 D N 3.548 123.931 120.400 -0.028 0.000 2.317 346 D HA 0.168 4.808 4.640 -0.000 0.000 0.252 346 D C -1.896 174.474 176.300 0.117 0.000 1.174 346 D CA -1.991 51.991 54.000 -0.030 0.000 0.866 346 D CB 1.276 41.869 40.800 -0.345 0.000 1.127 346 D HN 0.204 nan 8.370 nan 0.000 0.467 347 P HA -0.155 nan 4.420 nan 0.000 0.216 347 P C 0.938 178.466 177.300 0.380 0.000 1.150 347 P CA 0.974 64.339 63.100 0.442 0.000 0.843 347 P CB 0.354 32.262 31.700 0.346 0.000 0.787 348 E N -1.565 118.805 120.200 0.282 0.000 2.204 348 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 348 E C 1.777 178.557 176.600 0.298 0.000 0.990 348 E CA 1.244 57.819 56.400 0.292 0.000 0.821 348 E CB -0.751 29.105 29.700 0.260 0.000 0.750 348 E HN 0.472 nan 8.360 nan 0.000 0.477 349 H N -0.530 118.555 119.070 0.025 0.000 2.470 349 H HA 0.038 4.594 4.556 -0.000 0.000 0.289 349 H C 2.105 177.363 175.328 -0.116 0.000 1.033 349 H CA 0.472 56.496 56.048 -0.039 0.000 1.331 349 H CB -0.128 29.598 29.762 -0.061 0.000 1.414 349 H HN -0.061 nan 8.280 nan 0.000 0.545 350 V N -0.144 119.725 119.914 -0.076 0.000 2.453 350 V HA -0.105 4.015 4.120 -0.000 0.000 0.247 350 V C 2.565 178.362 176.094 -0.495 0.000 1.048 350 V CA 1.710 63.803 62.300 -0.344 0.000 1.049 350 V CB -0.948 30.560 31.823 -0.525 0.000 0.672 350 V HN 0.564 nan 8.190 nan 0.000 0.457 351 G N -0.090 108.463 108.800 -0.411 0.000 2.421 351 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 351 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 351 G C 1.784 176.643 174.900 -0.068 0.000 1.171 351 G CA 0.989 45.986 45.100 -0.171 0.000 0.775 351 G HN 0.581 nan 8.290 nan 0.000 0.543 352 A N 0.464 123.266 122.820 -0.029 0.000 1.940 352 A HA 0.018 4.338 4.320 -0.000 0.000 0.219 352 A C 2.156 179.726 177.584 -0.024 0.000 1.176 352 A CA 1.712 53.731 52.037 -0.030 0.000 0.631 352 A CB -0.563 18.397 19.000 -0.067 0.000 0.814 352 A HN 0.441 nan 8.150 nan 0.000 0.446 353 F N 0.904 120.744 119.950 -0.184 0.000 2.075 353 F HA -0.153 4.374 4.527 -0.000 0.000 0.297 353 F C 2.225 177.907 175.800 -0.197 0.000 1.113 353 F CA 1.952 59.840 58.000 -0.187 0.000 1.218 353 F CB -0.724 38.130 39.000 -0.244 0.000 0.984 353 F HN 0.020 nan 8.300 nan 0.000 0.472 354 V N 0.954 120.606 119.914 -0.437 0.000 2.255 354 V HA -0.337 3.783 4.120 -0.000 0.000 0.247 354 V C 2.198 177.976 176.094 -0.525 0.000 1.051 354 V CA 2.375 64.325 62.300 -0.583 0.000 1.018 354 V CB -0.841 30.793 31.823 -0.315 0.000 0.641 354 V HN 0.287 nan 8.190 nan 0.000 0.445 355 D N 0.318 120.570 120.400 -0.246 0.000 2.117 355 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 355 D C 2.203 178.425 176.300 -0.131 0.000 0.987 355 D CA 1.662 55.589 54.000 -0.121 0.000 0.829 355 D CB -0.470 40.307 40.800 -0.039 0.000 0.961 355 D HN 0.443 nan 8.370 nan 0.000 0.460 356 A N 0.457 123.201 122.820 -0.127 0.000 1.902 356 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 356 A C 2.491 180.076 177.584 0.003 0.000 1.181 356 A CA 1.316 53.346 52.037 -0.011 0.000 0.623 356 A CB -0.758 18.291 19.000 0.081 0.000 0.818 356 A HN 0.155 nan 8.150 nan 0.000 0.443 357 V N -0.361 119.427 119.914 -0.210 0.000 2.343 357 V HA -0.310 3.810 4.120 -0.000 0.000 0.247 357 V C 2.284 178.374 176.094 -0.007 0.000 1.051 357 V CA 2.355 64.549 62.300 -0.177 0.000 1.036 357 V CB -1.208 30.337 31.823 -0.462 0.000 0.654 357 V HN 0.744 nan 8.190 nan 0.000 0.451 358 H N -0.149 118.876 119.070 -0.076 0.000 2.326 358 H HA -0.165 4.391 4.556 -0.000 0.000 0.301 358 H C 2.453 177.735 175.328 -0.078 0.000 1.081 358 H CA 1.689 57.694 56.048 -0.072 0.000 1.334 358 H CB 0.056 29.720 29.762 -0.165 0.000 1.385 358 H HN 0.324 nan 8.280 nan 0.000 0.504 359 K N 0.390 120.790 120.400 -0.001 0.000 1.991 359 K HA -0.208 4.112 4.320 -0.000 0.000 0.212 359 K C 1.943 178.453 176.600 -0.151 0.000 1.049 359 K CA 1.700 57.906 56.287 -0.136 0.000 0.932 359 K CB -0.070 32.263 32.500 -0.278 0.000 0.717 359 K HN 0.428 nan 8.250 nan 0.000 0.441 360 H N 0.227 119.317 119.070 0.033 0.000 2.389 360 H HA -0.065 4.491 4.556 -0.000 0.000 0.299 360 H C 2.476 177.841 175.328 0.062 0.000 1.081 360 H CA 1.676 57.749 56.048 0.040 0.000 1.345 360 H CB -0.259 29.524 29.762 0.034 0.000 1.393 360 H HN 0.439 nan 8.280 nan 0.000 0.520 361 S N 1.010 116.824 115.700 0.190 0.000 2.399 361 S HA -0.121 4.348 4.470 -0.000 0.000 0.231 361 S C 2.109 176.794 174.600 0.142 0.000 1.022 361 S CA 0.738 59.042 58.200 0.174 0.000 0.983 361 S CB -0.134 63.191 63.200 0.207 0.000 0.803 361 S HN 0.336 nan 8.310 nan 0.000 0.480 362 R N 0.691 121.263 120.500 0.121 0.000 2.073 362 R HA 0.235 4.575 4.340 -0.000 0.000 0.229 362 R C 2.380 178.719 176.300 0.065 0.000 1.120 362 R CA 1.221 57.375 56.100 0.089 0.000 0.967 362 R CB -0.550 29.779 30.300 0.049 0.000 0.862 362 R HN 0.398 nan 8.270 nan 0.000 0.436 363 L N 0.491 121.749 121.223 0.059 0.000 2.093 363 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 363 L C 2.226 179.138 176.870 0.069 0.000 1.085 363 L CA 0.630 55.504 54.840 0.058 0.000 0.755 363 L CB -0.321 41.780 42.059 0.070 0.000 0.904 363 L HN 0.175 nan 8.230 nan 0.000 0.435 364 L N -0.438 120.836 121.223 0.085 0.000 2.456 364 L HA -0.125 4.215 4.340 -0.000 0.000 0.224 364 L C 2.349 179.246 176.870 0.045 0.000 1.148 364 L CA 1.500 56.379 54.840 0.065 0.000 0.825 364 L CB -0.407 41.696 42.059 0.073 0.000 0.937 364 L HN 0.101 nan 8.230 nan 0.000 0.450 365 R N -2.084 118.448 120.500 0.053 0.000 2.191 365 R HA 0.140 4.480 4.340 -0.000 0.000 0.196 365 R C 0.814 177.141 176.300 0.046 0.000 0.991 365 R CA -0.070 56.060 56.100 0.049 0.000 1.075 365 R CB 0.166 30.503 30.300 0.062 0.000 1.040 365 R HN 0.246 nan 8.270 nan 0.000 0.526 366 Q N 0.000 119.826 119.800 0.044 0.000 2.315 366 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 366 Q CA 0.000 55.825 55.803 0.036 0.000 1.022 366 Q CB 0.000 28.756 28.738 0.031 0.000 1.108 366 Q HN 0.000 nan 8.270 nan 0.000 0.481