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 1kfy_1_A DATA FIRST_RESID 0 DATA SEQUENCE MQTFQADLAI VGAGGAGLRA AIAAAQANPN AKIALISKVY PMRSHTVAAE DATA SEQUENCE GGSAAVAQDH DSFEYHFHDT VAGGDWLCEQ DVVDYFVHHC PTEMTQLELW DATA SEQUENCE GCPWSRRPDG SVNVRRFGGM KIERTWFAAD KTGFHMLHTL FQTSLQFPQI DATA SEQUENCE QRFDEHFVLD ILVDDGHVRG LVAMNMMEGT LVQIRANAVV MATGGAGRVY DATA SEQUENCE RYNTNGGIVT GDGMGMALSH GVPLRDMEFV QYHPTGLPGS GILMTEGCRG DATA SEQUENCE EGGILVNKNG YRYLQDYGMG PETPLGEPKN KYMELGPRDK VSQAFWHEWR DATA SEQUENCE KGNTISTPRG DVVYLDLRHL GEKKLHERLP FICELAKAYV GVDPVKEPIP DATA SEQUENCE VRPTAHYTMG GIETDQNCET RIKGLFAVGE CSSVGLHGAN RLGSNSLAEL DATA SEQUENCE VVFGRLAGEQ ATERAATAGN GNEAAIEAQA AGVEQRLKDL VNQDGGENWA DATA SEQUENCE KIRDEMGLAM EEGCGIYRTP ELMQKTIDKL AELQERFKRV RITDTSSVFN DATA SEQUENCE TDLLYTIELG HGLNVAECMA HSAMARKESR GAHQRLDEGC TERDDVNFLK DATA SEQUENCE HTLAFRDADG TTRLEYSDVK ITTLPPA 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.318 176.300 0.030 0.000 1.140 0 M CA 0.000 55.326 55.300 0.043 0.000 0.988 0 M CB 0.000 32.629 32.600 0.048 0.000 1.302 1 Q N 1.371 121.198 119.800 0.044 0.000 2.492 1 Q HA 0.515 4.849 4.340 -0.011 0.000 0.238 1 Q C -1.045 174.942 176.000 -0.021 0.000 1.045 1 Q CA 0.618 56.412 55.803 -0.015 0.000 0.934 1 Q CB 1.076 29.827 28.738 0.022 0.000 1.276 1 Q HN 0.667 nan 8.270 nan 0.000 0.521 2 T N 1.812 116.255 114.554 -0.184 0.000 2.903 2 T HA 0.620 4.963 4.350 -0.011 0.000 0.299 2 T C -1.444 173.014 174.700 -0.402 0.000 1.093 2 T CA -0.458 61.568 62.100 -0.123 0.000 1.002 2 T CB 0.648 69.474 68.868 -0.070 0.000 1.127 2 T HN 0.442 nan 8.240 nan 0.000 0.488 3 F N 1.382 121.353 119.950 0.034 0.000 2.556 3 F HA 0.456 4.973 4.527 -0.016 0.000 0.314 3 F C 0.044 175.861 175.800 0.028 0.000 1.106 3 F CA -1.073 56.962 58.000 0.058 0.000 0.911 3 F CB 2.063 41.131 39.000 0.114 0.000 1.190 3 F HN 0.181 nan 8.300 nan 0.000 0.448 4 Q N 2.424 122.333 119.800 0.182 0.000 2.257 4 Q HA 0.805 5.138 4.340 -0.011 0.000 0.255 4 Q C -0.742 175.334 176.000 0.126 0.000 0.920 4 Q CA -0.580 55.289 55.803 0.111 0.000 0.927 4 Q CB 2.128 30.903 28.738 0.061 0.000 1.229 4 Q HN 0.771 nan 8.270 nan 0.000 0.433 5 A N 2.298 125.168 122.820 0.083 0.000 2.572 5 A HA 0.479 4.792 4.320 -0.011 0.000 0.295 5 A C -0.405 177.201 177.584 0.037 0.000 1.072 5 A CA -0.643 51.433 52.037 0.065 0.000 0.691 5 A CB 1.148 20.180 19.000 0.053 0.000 1.291 5 A HN 0.600 nan 8.150 nan 0.000 0.404 6 D N -0.053 120.364 120.400 0.028 0.000 2.085 6 D HA 0.129 4.763 4.640 -0.011 0.000 0.199 6 D C 0.756 177.062 176.300 0.010 0.000 0.981 6 D CA 1.899 55.910 54.000 0.017 0.000 0.834 6 D CB -0.014 40.791 40.800 0.009 0.000 0.992 6 D HN 0.589 nan 8.370 nan 0.000 0.457 7 L N -2.498 118.722 121.223 -0.005 0.000 2.381 7 L HA 0.863 5.196 4.340 -0.011 0.000 0.268 7 L C -1.361 175.492 176.870 -0.029 0.000 0.997 7 L CA -1.499 53.329 54.840 -0.020 0.000 0.818 7 L CB 2.363 44.391 42.059 -0.052 0.000 1.310 7 L HN -0.196 nan 8.230 nan 0.000 0.416 8 A N 4.240 127.037 122.820 -0.039 0.000 2.287 8 A HA 0.770 5.083 4.320 -0.011 0.000 0.317 8 A C -0.558 176.988 177.584 -0.063 0.000 1.220 8 A CA -0.475 51.522 52.037 -0.067 0.000 0.835 8 A CB 0.654 19.598 19.000 -0.094 0.000 1.180 8 A HN 0.731 nan 8.150 nan 0.000 0.500 9 I N 3.362 123.895 120.570 -0.062 0.000 2.312 9 I HA 0.236 4.400 4.170 -0.011 0.000 0.290 9 I C -0.538 175.542 176.117 -0.061 0.000 1.008 9 I CA -0.707 60.561 61.300 -0.052 0.000 1.226 9 I CB 1.737 39.713 38.000 -0.040 0.000 1.371 9 I HN 0.294 nan 8.210 nan 0.000 0.468 10 V N 5.927 125.801 119.914 -0.067 0.000 2.353 10 V HA 0.690 4.803 4.120 -0.011 0.000 0.264 10 V C 0.566 176.618 176.094 -0.069 0.000 1.049 10 V CA -0.305 61.944 62.300 -0.085 0.000 0.896 10 V CB 0.364 32.122 31.823 -0.108 0.000 1.025 10 V HN 1.066 nan 8.190 nan 0.000 0.475 11 G N 4.074 112.841 108.800 -0.056 0.000 3.400 11 G HA2 0.293 4.246 3.960 -0.011 0.000 0.679 11 G HA3 0.293 4.246 3.960 -0.011 0.000 0.679 11 G C -0.135 174.759 174.900 -0.009 0.000 1.239 11 G CA -0.306 44.770 45.100 -0.039 0.000 1.049 11 G HN 1.289 nan 8.290 nan 0.000 0.539 12 A N 1.580 124.400 122.820 0.001 0.000 2.577 12 A HA 0.739 5.052 4.320 -0.011 0.000 0.280 12 A C 1.540 179.136 177.584 0.021 0.000 1.331 12 A CA 1.226 53.277 52.037 0.023 0.000 0.935 12 A CB -0.226 18.790 19.000 0.027 0.000 1.082 12 A HN 2.046 nan 8.150 nan 0.000 0.525 13 G N -1.019 107.795 108.800 0.024 0.000 2.516 13 G HA2 0.383 4.337 3.960 -0.011 0.000 0.276 13 G HA3 0.383 4.337 3.960 -0.011 0.000 0.276 13 G C 1.189 176.124 174.900 0.060 0.000 1.390 13 G CA 0.091 45.215 45.100 0.040 0.000 1.050 13 G HN 0.465 nan 8.290 nan 0.000 0.519 14 G N -0.123 108.724 108.800 0.078 0.000 2.491 14 G HA2 -0.039 3.915 3.960 -0.011 0.000 0.218 14 G HA3 -0.039 3.915 3.960 -0.011 0.000 0.218 14 G C 2.005 176.968 174.900 0.106 0.000 1.180 14 G CA 2.138 47.298 45.100 0.100 0.000 0.774 14 G HN 0.943 nan 8.290 nan 0.000 0.562 15 A N 0.846 123.727 122.820 0.101 0.000 1.858 15 A HA 0.163 4.476 4.320 -0.011 0.000 0.216 15 A C 2.786 180.410 177.584 0.067 0.000 1.190 15 A CA 2.263 54.359 52.037 0.098 0.000 0.617 15 A CB -1.328 17.730 19.000 0.097 0.000 0.827 15 A HN 0.654 nan 8.150 nan 0.000 0.443 16 G N -0.102 108.726 108.800 0.047 0.000 2.491 16 G HA2 -0.252 3.701 3.960 -0.011 0.000 0.218 16 G HA3 -0.252 3.701 3.960 -0.011 0.000 0.218 16 G C 1.597 176.513 174.900 0.026 0.000 1.180 16 G CA 1.257 46.372 45.100 0.025 0.000 0.774 16 G HN 0.420 nan 8.290 nan 0.000 0.562 17 L N -0.225 121.025 121.223 0.046 0.000 1.989 17 L HA -0.080 4.253 4.340 -0.011 0.000 0.211 17 L C 2.928 179.812 176.870 0.024 0.000 1.071 17 L CA 1.568 56.434 54.840 0.043 0.000 0.749 17 L CB -0.336 41.770 42.059 0.078 0.000 0.890 17 L HN 0.162 nan 8.230 nan 0.000 0.431 18 R N 0.390 120.933 120.500 0.071 0.000 2.105 18 R HA -0.164 4.169 4.340 -0.011 0.000 0.239 18 R C 2.109 178.435 176.300 0.044 0.000 1.135 18 R CA 1.698 57.861 56.100 0.104 0.000 0.967 18 R CB -0.609 29.778 30.300 0.146 0.000 0.861 18 R HN 0.371 nan 8.270 nan 0.000 0.442 19 A N 0.127 122.957 122.820 0.017 0.000 1.873 19 A HA 0.011 4.325 4.320 -0.011 0.000 0.215 19 A C 2.400 179.941 177.584 -0.072 0.000 1.186 19 A CA 1.667 53.688 52.037 -0.026 0.000 0.616 19 A CB -1.162 17.821 19.000 -0.029 0.000 0.823 19 A HN 0.471 nan 8.150 nan 0.000 0.442 20 A N 0.000 122.777 122.820 -0.073 0.000 1.908 20 A HA -0.145 4.169 4.320 -0.011 0.000 0.218 20 A C 2.126 179.581 177.584 -0.215 0.000 1.181 20 A CA 1.722 53.693 52.037 -0.111 0.000 0.627 20 A CB -0.672 18.284 19.000 -0.073 0.000 0.818 20 A HN 0.516 nan 8.150 nan 0.000 0.445 21 I N -0.439 119.981 120.570 -0.250 0.000 2.252 21 I HA -0.228 3.936 4.170 -0.011 0.000 0.245 21 I C 2.913 178.811 176.117 -0.364 0.000 1.102 21 I CA 0.937 61.944 61.300 -0.488 0.000 1.385 21 I CB -0.310 37.448 38.000 -0.404 0.000 1.064 21 I HN 0.347 nan 8.210 nan 0.000 0.414 22 A N 0.726 123.459 122.820 -0.145 0.000 1.972 22 A HA -0.115 4.198 4.320 -0.011 0.000 0.219 22 A C 2.494 180.007 177.584 -0.118 0.000 1.169 22 A CA 1.758 53.748 52.037 -0.078 0.000 0.635 22 A CB -0.652 18.333 19.000 -0.025 0.000 0.810 22 A HN 0.430 nan 8.150 nan 0.000 0.446 23 A N -0.513 122.219 122.820 -0.147 0.000 1.968 23 A HA 0.325 4.638 4.320 -0.011 0.000 0.217 23 A C 2.339 179.839 177.584 -0.139 0.000 1.169 23 A CA 1.565 53.523 52.037 -0.131 0.000 0.638 23 A CB -0.640 18.286 19.000 -0.124 0.000 0.812 23 A HN 0.947 nan 8.150 nan 0.000 0.446 24 A N -0.927 121.754 122.820 -0.231 0.000 2.072 24 A HA -0.023 4.290 4.320 -0.011 0.000 0.216 24 A C 1.988 179.474 177.584 -0.164 0.000 1.156 24 A CA 1.128 53.034 52.037 -0.218 0.000 0.701 24 A CB -0.270 18.502 19.000 -0.380 0.000 0.816 24 A HN 0.605 nan 8.150 nan 0.000 0.458 25 Q N -0.906 118.776 119.800 -0.196 0.000 2.354 25 Q HA 0.147 4.480 4.340 -0.011 0.000 0.203 25 Q C 2.210 178.206 176.000 -0.006 0.000 0.933 25 Q CA 0.731 56.509 55.803 -0.042 0.000 0.901 25 Q CB -0.081 28.655 28.738 -0.003 0.000 1.007 25 Q HN 0.658 nan 8.270 nan 0.000 0.495 26 A N 1.591 124.389 122.820 -0.036 0.000 1.874 26 A HA -0.068 4.246 4.320 -0.011 0.000 0.214 26 A C 1.121 178.698 177.584 -0.011 0.000 1.189 26 A CA 0.997 53.022 52.037 -0.019 0.000 0.615 26 A CB 0.065 19.043 19.000 -0.036 0.000 0.830 26 A HN 0.242 nan 8.150 nan 0.000 0.443 27 N N -0.803 117.885 118.700 -0.019 0.000 2.804 27 N HA 0.339 5.072 4.740 -0.011 0.000 0.251 27 N C -2.584 172.928 175.510 0.003 0.000 1.250 27 N CA -2.169 50.877 53.050 -0.006 0.000 0.820 27 N CB 1.138 39.617 38.487 -0.012 0.000 1.156 27 N HN -0.160 nan 8.380 nan 0.000 0.512 28 P HA -0.130 nan 4.420 nan 0.000 0.219 28 P C 0.212 177.532 177.300 0.034 0.000 1.145 28 P CA 1.176 64.300 63.100 0.040 0.000 0.813 28 P CB 0.257 31.985 31.700 0.046 0.000 0.771 29 N N -1.573 117.140 118.700 0.022 0.000 2.280 29 N HA 0.133 4.866 4.740 -0.011 0.000 0.192 29 N C 0.624 176.144 175.510 0.018 0.000 1.109 29 N CA 0.025 53.088 53.050 0.021 0.000 0.855 29 N CB 0.049 38.546 38.487 0.017 0.000 0.974 29 N HN 0.079 nan 8.380 nan 0.000 0.482 30 A N 1.058 123.886 122.820 0.012 0.000 2.406 30 A HA 0.172 4.486 4.320 -0.011 0.000 0.243 30 A C 0.643 178.237 177.584 0.017 0.000 1.082 30 A CA 0.156 52.198 52.037 0.008 0.000 0.786 30 A CB 0.559 19.553 19.000 -0.010 0.000 1.029 30 A HN -0.059 nan 8.150 nan 0.000 0.495 31 K N 2.284 122.697 120.400 0.022 0.000 2.575 31 K HA 0.423 4.736 4.320 -0.011 0.000 0.236 31 K C -1.491 175.131 176.600 0.037 0.000 0.976 31 K CA -0.057 56.253 56.287 0.039 0.000 0.985 31 K CB 0.310 32.843 32.500 0.056 0.000 1.198 31 K HN 0.641 nan 8.250 nan 0.000 0.464 32 I N 2.602 123.187 120.570 0.026 0.000 2.331 32 I HA 0.246 4.409 4.170 -0.011 0.000 0.292 32 I C 0.355 176.502 176.117 0.049 0.000 0.998 32 I CA -0.655 60.654 61.300 0.014 0.000 1.267 32 I CB 1.728 39.716 38.000 -0.019 0.000 1.386 32 I HN 0.492 nan 8.210 nan 0.000 0.476 33 A N 7.626 130.472 122.820 0.043 0.000 2.582 33 A HA 0.476 4.789 4.320 -0.011 0.000 0.336 33 A C -0.627 176.982 177.584 0.043 0.000 1.445 33 A CA -0.440 51.653 52.037 0.092 0.000 0.997 33 A CB 0.113 19.082 19.000 -0.052 0.000 1.148 33 A HN 0.616 nan 8.150 nan 0.000 0.514 34 L N 4.364 125.649 121.223 0.103 0.000 2.283 34 L HA 0.575 4.908 4.340 -0.011 0.000 0.287 34 L C -0.574 176.351 176.870 0.092 0.000 1.073 34 L CA 0.201 55.077 54.840 0.060 0.000 0.822 34 L CB 0.020 42.114 42.059 0.058 0.000 1.186 34 L HN 0.567 nan 8.230 nan 0.000 0.436 35 I N 3.950 124.527 120.570 0.012 0.000 2.648 35 I HA 0.689 4.852 4.170 -0.011 0.000 0.304 35 I C -0.026 176.091 176.117 -0.000 0.000 1.009 35 I CA -0.483 60.822 61.300 0.007 0.000 1.114 35 I CB 1.974 39.911 38.000 -0.106 0.000 1.293 35 I HN 0.651 nan 8.210 nan 0.000 0.449 36 S N 2.589 118.302 115.700 0.022 0.000 2.560 36 S HA 0.219 4.683 4.470 -0.011 0.000 0.283 36 S C -0.010 174.592 174.600 0.002 0.000 1.141 36 S CA -0.915 57.278 58.200 -0.012 0.000 0.902 36 S CB 1.247 64.439 63.200 -0.013 0.000 1.104 36 S HN 0.774 nan 8.310 nan 0.000 0.454 37 K N 1.861 122.253 120.400 -0.014 0.000 2.555 37 K HA 0.198 4.511 4.320 -0.011 0.000 0.193 37 K C 0.550 177.171 176.600 0.035 0.000 1.032 37 K CA 0.721 57.035 56.287 0.045 0.000 1.004 37 K CB -0.432 32.124 32.500 0.094 0.000 0.804 37 K HN 0.627 nan 8.250 nan 0.000 0.496 38 V N -2.816 117.085 119.914 -0.022 0.000 3.114 38 V HA 0.380 4.494 4.120 -0.011 0.000 0.308 38 V C -0.855 175.162 176.094 -0.129 0.000 1.168 38 V CA -1.629 60.647 62.300 -0.041 0.000 1.015 38 V CB 0.697 32.546 31.823 0.044 0.000 1.050 38 V HN 0.012 nan 8.190 nan 0.000 0.433 39 Y N 2.758 123.053 120.300 -0.007 0.000 2.712 39 Y HA 0.219 4.763 4.550 -0.010 0.000 0.333 39 Y C -1.209 174.552 175.900 -0.231 0.000 1.225 39 Y CA -0.407 57.628 58.100 -0.108 0.000 1.499 39 Y CB 0.184 38.564 38.460 -0.135 0.000 1.288 39 Y HN 0.528 nan 8.280 nan 0.000 0.575 40 P HA -0.371 nan 4.420 nan 0.000 0.222 40 P C 1.621 178.684 177.300 -0.395 0.000 1.157 40 P CA 2.577 65.489 63.100 -0.314 0.000 0.905 40 P CB -0.049 31.392 31.700 -0.431 0.000 0.792 41 M N -2.704 116.514 119.600 -0.637 0.000 2.632 41 M HA 0.020 4.493 4.480 -0.011 0.000 0.256 41 M C 0.901 177.096 176.300 -0.175 0.000 1.080 41 M CA 1.726 56.710 55.300 -0.528 0.000 1.084 41 M CB -1.054 31.084 32.600 -0.769 0.000 1.439 41 M HN -0.198 nan 8.290 nan 0.000 0.509 42 R N 1.067 121.520 120.500 -0.080 0.000 2.359 42 R HA 0.341 4.674 4.340 -0.011 0.000 0.231 42 R C 0.259 176.589 176.300 0.049 0.000 0.913 42 R CA -0.019 56.099 56.100 0.031 0.000 1.075 42 R CB -0.257 30.089 30.300 0.077 0.000 1.087 42 R HN 0.364 nan 8.270 nan 0.000 0.515 43 S N -0.216 115.493 115.700 0.015 0.000 2.580 43 S HA -0.068 4.395 4.470 -0.011 0.000 0.266 43 S C 0.962 175.629 174.600 0.113 0.000 1.354 43 S CA -0.264 57.969 58.200 0.055 0.000 1.008 43 S CB 0.531 63.748 63.200 0.028 0.000 0.898 43 S HN 0.393 nan 8.310 nan 0.000 0.555 44 H N 1.069 120.160 119.070 0.034 0.000 2.521 44 H HA -0.001 4.549 4.556 -0.011 0.000 0.286 44 H C 1.724 177.096 175.328 0.074 0.000 1.034 44 H CA 1.683 57.763 56.048 0.053 0.000 1.278 44 H CB -0.385 29.400 29.762 0.038 0.000 1.386 44 H HN 0.569 nan 8.280 nan 0.000 0.567 45 T N -0.852 113.736 114.554 0.057 0.000 2.897 45 T HA -0.156 4.188 4.350 -0.011 0.000 0.271 45 T C 2.137 176.837 174.700 -0.001 0.000 1.084 45 T CA 1.060 63.175 62.100 0.026 0.000 1.123 45 T CB -0.470 68.439 68.868 0.068 0.000 0.865 45 T HN 0.251 nan 8.240 nan 0.000 0.496 46 V N 1.332 121.254 119.914 0.014 0.000 2.594 46 V HA -0.055 4.059 4.120 -0.011 0.000 0.253 46 V C 2.410 178.536 176.094 0.053 0.000 1.069 46 V CA 1.691 64.045 62.300 0.090 0.000 1.082 46 V CB -0.717 31.197 31.823 0.151 0.000 0.680 46 V HN 0.524 nan 8.190 nan 0.000 0.469 47 A N -0.275 122.486 122.820 -0.098 0.000 2.208 47 A HA 0.523 4.836 4.320 -0.011 0.000 0.209 47 A C 1.350 178.925 177.584 -0.014 0.000 1.161 47 A CA 0.678 52.665 52.037 -0.084 0.000 0.782 47 A CB -0.542 18.300 19.000 -0.262 0.000 0.816 47 A HN 0.778 nan 8.150 nan 0.000 0.477 48 A N 0.839 123.649 122.820 -0.016 0.000 2.511 48 A HA 0.369 4.682 4.320 -0.011 0.000 0.242 48 A C 0.935 178.589 177.584 0.116 0.000 1.069 48 A CA 0.492 52.566 52.037 0.062 0.000 0.763 48 A CB 0.074 19.115 19.000 0.067 0.000 1.001 48 A HN 0.629 nan 8.150 nan 0.000 0.498 49 E N 2.659 122.942 120.200 0.139 0.000 2.474 49 E HA 0.097 4.440 4.350 -0.011 0.000 0.215 49 E C 1.419 178.109 176.600 0.150 0.000 0.867 49 E CA 0.538 57.048 56.400 0.183 0.000 1.135 49 E CB -0.137 29.717 29.700 0.256 0.000 1.147 49 E HN 0.634 nan 8.360 nan 0.000 0.534 50 G N 1.867 110.696 108.800 0.047 0.000 2.505 50 G HA2 0.287 4.241 3.960 -0.011 0.000 0.214 50 G HA3 0.287 4.241 3.960 -0.011 0.000 0.214 50 G C 0.752 175.373 174.900 -0.466 0.000 1.237 50 G CA 0.993 45.923 45.100 -0.284 0.000 0.802 50 G HN 0.591 nan 8.290 nan 0.000 0.549 51 G N -2.140 106.492 108.800 -0.281 0.000 2.343 51 G HA2 0.411 4.364 3.960 -0.011 0.000 0.289 51 G HA3 0.411 4.364 3.960 -0.011 0.000 0.289 51 G C -1.343 173.573 174.900 0.026 0.000 1.295 51 G CA 0.454 45.534 45.100 -0.033 0.000 0.869 51 G HN 0.866 nan 8.290 nan 0.000 0.522 52 S N -0.647 115.133 115.700 0.133 0.000 2.707 52 S HA 0.726 5.189 4.470 -0.011 0.000 0.303 52 S C 0.336 174.907 174.600 -0.048 0.000 1.132 52 S CA 0.576 58.820 58.200 0.074 0.000 1.046 52 S CB 0.626 63.926 63.200 0.167 0.000 1.004 52 S HN 1.979 nan 8.310 nan 0.000 0.483 53 A N 3.496 126.314 122.820 -0.003 0.000 2.445 53 A HA 0.768 5.082 4.320 -0.011 0.000 0.242 53 A C 0.349 177.820 177.584 -0.188 0.000 1.075 53 A CA 0.127 52.140 52.037 -0.040 0.000 0.777 53 A CB 0.119 19.135 19.000 0.027 0.000 1.013 53 A HN 1.729 nan 8.150 nan 0.000 0.493 54 A N 1.991 124.708 122.820 -0.173 0.000 2.521 54 A HA 0.494 4.807 4.320 -0.011 0.000 0.298 54 A C -0.608 177.047 177.584 0.118 0.000 1.044 54 A CA -0.577 51.363 52.037 -0.162 0.000 0.911 54 A CB 0.056 18.665 19.000 -0.652 0.000 1.376 54 A HN 1.482 nan 8.150 nan 0.000 0.392 55 V N 1.751 121.716 119.914 0.086 0.000 2.625 55 V HA 0.243 4.357 4.120 -0.011 0.000 0.305 55 V C 1.284 177.424 176.094 0.077 0.000 1.055 55 V CA 1.677 63.986 62.300 0.014 0.000 1.209 55 V CB 0.339 32.076 31.823 -0.144 0.000 0.877 55 V HN 1.518 nan 8.190 nan 0.000 0.489 56 A N 3.819 126.652 122.820 0.023 0.000 1.852 56 A HA 0.224 4.537 4.320 -0.011 0.000 0.205 56 A C 0.862 178.386 177.584 -0.101 0.000 1.757 56 A CA -0.216 51.815 52.037 -0.011 0.000 1.088 56 A CB -0.003 18.939 19.000 -0.096 0.000 1.079 56 A HN 0.694 nan 8.150 nan 0.000 0.524 57 Q N 1.282 121.007 119.800 -0.125 0.000 2.395 57 Q HA 0.051 4.384 4.340 -0.011 0.000 0.271 57 Q C -0.354 175.577 176.000 -0.116 0.000 1.026 57 Q CA 0.079 55.812 55.803 -0.116 0.000 0.900 57 Q CB 0.528 29.163 28.738 -0.173 0.000 1.266 57 Q HN 0.384 nan 8.270 nan 0.000 0.430 58 D N 0.924 121.320 120.400 -0.008 0.000 2.218 58 D HA -0.149 4.484 4.640 -0.011 0.000 0.204 58 D C 1.253 177.580 176.300 0.045 0.000 0.976 58 D CA 1.490 55.495 54.000 0.008 0.000 0.853 58 D CB -0.067 40.757 40.800 0.041 0.000 0.939 58 D HN 0.662 nan 8.370 nan 0.000 0.481 59 H N -1.702 117.363 119.070 -0.009 0.000 2.537 59 H HA 0.351 4.901 4.556 -0.011 0.000 0.295 59 H C -0.074 175.322 175.328 0.113 0.000 1.054 59 H CA -0.593 55.477 56.048 0.036 0.000 1.156 59 H CB 0.226 30.002 29.762 0.024 0.000 1.468 59 H HN -0.202 nan 8.280 nan 0.000 0.551 60 D N 0.258 120.568 120.400 -0.151 0.000 2.449 60 D HA 0.486 5.120 4.640 -0.011 0.000 0.250 60 D C -0.675 175.533 176.300 -0.153 0.000 1.050 60 D CA -0.741 53.225 54.000 -0.056 0.000 1.024 60 D CB 2.294 42.971 40.800 -0.204 0.000 1.218 60 D HN 0.230 nan 8.370 nan 0.000 0.566 61 S N -0.066 115.493 115.700 -0.236 0.000 2.537 61 S HA 0.258 4.721 4.470 -0.011 0.000 0.271 61 S C 0.323 174.708 174.600 -0.358 0.000 1.148 61 S CA -0.659 57.230 58.200 -0.518 0.000 0.868 61 S CB 0.237 62.954 63.200 -0.805 0.000 1.115 61 S HN 0.369 nan 8.310 nan 0.000 0.461 62 F N 1.499 121.341 119.950 -0.180 0.000 2.307 62 F HA -0.055 4.466 4.527 -0.010 0.000 0.301 62 F C 2.385 178.173 175.800 -0.021 0.000 1.076 62 F CA 1.283 59.179 58.000 -0.173 0.000 1.383 62 F CB 0.064 38.740 39.000 -0.540 0.000 1.055 62 F HN 0.727 nan 8.300 nan 0.000 0.526 63 E N 0.175 120.398 120.200 0.039 0.000 2.072 63 E HA -0.199 4.144 4.350 -0.011 0.000 0.190 63 E C 1.871 178.643 176.600 0.286 0.000 0.982 63 E CA 1.518 57.982 56.400 0.106 0.000 0.803 63 E CB -0.526 29.128 29.700 -0.076 0.000 0.755 63 E HN 0.383 nan 8.360 nan 0.000 0.453 64 Y N 0.143 120.553 120.300 0.183 0.000 2.145 64 Y HA -0.151 4.392 4.550 -0.011 0.000 0.286 64 Y C 2.588 178.651 175.900 0.272 0.000 1.145 64 Y CA 1.666 59.867 58.100 0.169 0.000 1.148 64 Y CB -1.371 37.125 38.460 0.061 0.000 0.981 64 Y HN 0.389 nan 8.280 nan 0.000 0.507 65 H N -1.371 117.882 119.070 0.305 0.000 2.387 65 H HA -0.204 4.346 4.556 -0.011 0.000 0.299 65 H C 2.160 177.648 175.328 0.267 0.000 1.090 65 H CA 1.069 57.260 56.048 0.238 0.000 1.332 65 H CB -0.268 29.607 29.762 0.189 0.000 1.386 65 H HN 0.294 nan 8.280 nan 0.000 0.516 66 F N 0.631 120.726 119.950 0.243 0.000 2.075 66 F HA -0.213 4.307 4.527 -0.012 0.000 0.297 66 F C 2.626 178.510 175.800 0.140 0.000 1.113 66 F CA 2.173 60.254 58.000 0.134 0.000 1.218 66 F CB -0.774 38.315 39.000 0.148 0.000 0.984 66 F HN 0.208 nan 8.300 nan 0.000 0.472 67 H N -0.231 118.957 119.070 0.197 0.000 2.352 67 H HA -0.163 4.386 4.556 -0.011 0.000 0.299 67 H C 1.940 177.222 175.328 -0.077 0.000 1.097 67 H CA 2.320 58.389 56.048 0.035 0.000 1.311 67 H CB -0.466 29.432 29.762 0.226 0.000 1.377 67 H HN 0.234 nan 8.280 nan 0.000 0.504 68 D N -0.875 119.648 120.400 0.205 0.000 2.123 68 D HA -0.137 4.496 4.640 -0.011 0.000 0.196 68 D C 2.107 178.389 176.300 -0.029 0.000 0.992 68 D CA 1.787 55.860 54.000 0.121 0.000 0.833 68 D CB -0.503 40.427 40.800 0.217 0.000 0.954 68 D HN 0.430 nan 8.370 nan 0.000 0.455 69 T N -0.013 114.511 114.554 -0.051 0.000 2.737 69 T HA -0.080 4.264 4.350 -0.011 0.000 0.265 69 T C 2.212 176.705 174.700 -0.345 0.000 1.038 69 T CA 0.769 62.787 62.100 -0.137 0.000 1.144 69 T CB -0.310 68.481 68.868 -0.130 0.000 0.866 69 T HN -0.036 nan 8.240 nan 0.000 0.434 70 V N 1.683 121.245 119.914 -0.587 0.000 2.270 70 V HA -0.144 3.969 4.120 -0.011 0.000 0.245 70 V C 2.903 178.382 176.094 -1.024 0.000 1.043 70 V CA 1.721 63.524 62.300 -0.828 0.000 1.014 70 V CB -1.258 29.945 31.823 -1.033 0.000 0.645 70 V HN 0.519 nan 8.190 nan 0.000 0.447 71 A N 0.645 122.855 122.820 -1.017 0.000 1.865 71 A HA -0.169 4.144 4.320 -0.011 0.000 0.217 71 A C 2.421 179.762 177.584 -0.406 0.000 1.191 71 A CA 2.188 53.700 52.037 -0.876 0.000 0.623 71 A CB -1.431 17.293 19.000 -0.462 0.000 0.826 71 A HN 0.558 nan 8.150 nan 0.000 0.444 72 G N -1.009 107.638 108.800 -0.255 0.000 2.448 72 G HA2 0.072 4.026 3.960 -0.011 0.000 0.219 72 G HA3 0.072 4.026 3.960 -0.011 0.000 0.219 72 G C 1.249 176.072 174.900 -0.129 0.000 1.127 72 G CA 1.128 46.155 45.100 -0.121 0.000 0.766 72 G HN 0.845 nan 8.290 nan 0.000 0.552 73 G N -0.580 108.087 108.800 -0.222 0.000 3.088 73 G HA2 0.236 4.190 3.960 -0.011 0.000 0.212 73 G HA3 0.236 4.190 3.960 -0.011 0.000 0.212 73 G C 0.334 175.136 174.900 -0.165 0.000 1.173 73 G CA 0.443 45.427 45.100 -0.193 0.000 0.779 73 G HN 0.219 nan 8.290 nan 0.000 0.540 74 D N -0.589 119.749 120.400 -0.105 0.000 2.686 74 D HA -0.169 4.465 4.640 -0.011 0.000 0.235 74 D C 0.574 177.022 176.300 0.247 0.000 1.160 74 D CA 0.662 54.745 54.000 0.138 0.000 0.645 74 D CB -1.218 39.655 40.800 0.121 0.000 1.039 74 D HN 0.555 nan 8.370 nan 0.000 0.423 75 W N -1.715 119.523 121.300 -0.105 0.000 4.650 75 W HA -0.310 4.343 4.660 -0.011 0.000 0.335 75 W C 0.927 177.378 176.519 -0.113 0.000 1.222 75 W CA 0.186 57.471 57.345 -0.100 0.000 0.807 75 W CB -1.725 27.695 29.460 -0.067 0.000 2.290 75 W HN 0.360 nan 8.180 nan 0.000 1.514 76 L N -0.145 121.052 121.223 -0.043 0.000 2.741 76 L HA 0.133 4.467 4.340 -0.011 0.000 0.237 76 L C 0.911 177.740 176.870 -0.068 0.000 1.178 76 L CA 0.177 54.950 54.840 -0.111 0.000 0.973 76 L CB -0.009 41.941 42.059 -0.181 0.000 1.255 76 L HN -0.106 nan 8.230 nan 0.000 0.498 77 C N 0.577 119.819 119.300 -0.097 0.000 2.401 77 C HA 0.193 4.646 4.460 -0.011 0.000 0.365 77 C C 0.961 175.944 174.990 -0.012 0.000 1.250 77 C CA -0.892 58.072 59.018 -0.090 0.000 2.131 77 C CB 0.996 28.606 27.740 -0.218 0.000 2.445 77 C HN 0.247 nan 8.230 nan 0.000 0.550 78 E N 2.326 122.544 120.200 0.029 0.000 1.775 78 E HA -0.001 4.342 4.350 -0.011 0.000 0.266 78 E C 1.108 177.747 176.600 0.065 0.000 1.191 78 E CA 0.318 56.760 56.400 0.069 0.000 1.048 78 E CB 0.146 29.868 29.700 0.035 0.000 1.081 78 E HN 0.679 nan 8.360 nan 0.000 0.434 79 Q N 0.970 120.825 119.800 0.091 0.000 2.344 79 Q HA -0.239 4.094 4.340 -0.011 0.000 0.212 79 Q C 1.249 177.419 176.000 0.283 0.000 0.991 79 Q CA 1.837 57.757 55.803 0.195 0.000 0.897 79 Q CB 0.200 29.090 28.738 0.254 0.000 0.915 79 Q HN 0.494 nan 8.270 nan 0.000 0.438 80 D N -0.928 119.582 120.400 0.184 0.000 2.183 80 D HA -0.092 4.542 4.640 -0.011 0.000 0.205 80 D C 1.797 178.223 176.300 0.209 0.000 0.962 80 D CA 0.654 54.757 54.000 0.173 0.000 0.849 80 D CB -0.489 40.374 40.800 0.104 0.000 0.978 80 D HN 0.109 nan 8.370 nan 0.000 0.488 81 V N 1.130 121.147 119.914 0.171 0.000 2.295 81 V HA -0.217 3.896 4.120 -0.011 0.000 0.246 81 V C 2.926 179.227 176.094 0.346 0.000 1.049 81 V CA 1.296 63.724 62.300 0.215 0.000 1.024 81 V CB -0.448 31.402 31.823 0.046 0.000 0.648 81 V HN 0.089 nan 8.190 nan 0.000 0.447 82 V N 0.536 120.596 119.914 0.244 0.000 2.380 82 V HA -0.348 3.765 4.120 -0.011 0.000 0.251 82 V C 2.244 178.627 176.094 0.482 0.000 1.063 82 V CA 2.542 65.013 62.300 0.284 0.000 1.055 82 V CB -0.762 31.104 31.823 0.072 0.000 0.657 82 V HN 0.670 nan 8.190 nan 0.000 0.455 83 D N -1.347 119.361 120.400 0.513 0.000 2.144 83 D HA -0.229 4.404 4.640 -0.011 0.000 0.200 83 D C 2.009 178.539 176.300 0.383 0.000 0.978 83 D CA 1.150 55.407 54.000 0.430 0.000 0.833 83 D CB -0.170 40.762 40.800 0.219 0.000 0.961 83 D HN 0.548 nan 8.370 nan 0.000 0.470 84 Y N -0.313 120.129 120.300 0.236 0.000 2.242 84 Y HA -0.139 4.405 4.550 -0.010 0.000 0.291 84 Y C 1.748 177.759 175.900 0.185 0.000 1.137 84 Y CA 1.371 59.573 58.100 0.170 0.000 1.181 84 Y CB -0.539 37.968 38.460 0.080 0.000 0.989 84 Y HN 0.064 nan 8.280 nan 0.000 0.527 85 F N 0.756 120.778 119.950 0.119 0.000 2.010 85 F HA -0.246 4.274 4.527 -0.011 0.000 0.296 85 F C 2.529 178.240 175.800 -0.148 0.000 1.146 85 F CA 2.675 60.656 58.000 -0.032 0.000 1.181 85 F CB -1.258 37.869 39.000 0.212 0.000 0.965 85 F HN -0.054 nan 8.300 nan 0.000 0.480 86 V N -1.181 118.546 119.914 -0.313 0.000 2.453 86 V HA -0.312 3.801 4.120 -0.011 0.000 0.252 86 V C 2.343 178.011 176.094 -0.711 0.000 1.068 86 V CA 2.440 64.432 62.300 -0.513 0.000 1.070 86 V CB -1.376 30.312 31.823 -0.224 0.000 0.664 86 V HN 0.542 nan 8.190 nan 0.000 0.461 87 H N -0.258 118.438 119.070 -0.622 0.000 2.502 87 H HA 0.033 4.583 4.556 -0.011 0.000 0.283 87 H C 1.596 176.396 175.328 -0.881 0.000 1.015 87 H CA 1.846 57.301 56.048 -0.988 0.000 1.298 87 H CB 0.085 29.443 29.762 -0.673 0.000 1.411 87 H HN 0.642 nan 8.280 nan 0.000 0.556 88 H N -1.816 116.862 119.070 -0.654 0.000 2.652 88 H HA 0.105 4.655 4.556 -0.010 0.000 0.274 88 H C 1.934 176.976 175.328 -0.476 0.000 1.021 88 H CA -0.221 55.485 56.048 -0.569 0.000 1.187 88 H CB 0.290 29.619 29.762 -0.722 0.000 1.505 88 H HN 0.182 nan 8.280 nan 0.000 0.530 89 C N 0.727 119.765 119.300 -0.436 0.000 2.508 89 C HA -0.044 4.409 4.460 -0.011 0.000 0.280 89 C C -0.070 174.705 174.990 -0.358 0.000 1.262 89 C CA 0.677 59.449 59.018 -0.409 0.000 1.706 89 C CB -0.882 26.590 27.740 -0.447 0.000 2.078 89 C HN 0.445 nan 8.230 nan 0.000 0.480 90 P HA -0.136 nan 4.420 nan 0.000 0.216 90 P C 1.455 178.640 177.300 -0.192 0.000 1.154 90 P CA 2.229 65.245 63.100 -0.141 0.000 0.865 90 P CB -0.292 31.446 31.700 0.063 0.000 0.789 91 T N -0.519 113.911 114.554 -0.206 0.000 2.674 91 T HA -0.134 4.209 4.350 -0.011 0.000 0.265 91 T C 1.563 176.134 174.700 -0.215 0.000 1.039 91 T CA 1.208 63.196 62.100 -0.187 0.000 1.150 91 T CB -0.711 68.037 68.868 -0.200 0.000 0.864 91 T HN 0.172 nan 8.240 nan 0.000 0.427 92 E N 0.601 120.658 120.200 -0.239 0.000 2.150 92 E HA 0.006 4.349 4.350 -0.011 0.000 0.193 92 E C 2.055 178.504 176.600 -0.251 0.000 0.985 92 E CA 0.792 57.060 56.400 -0.221 0.000 0.814 92 E CB -0.287 29.319 29.700 -0.157 0.000 0.752 92 E HN 0.348 nan 8.360 nan 0.000 0.466 93 M N 0.066 119.393 119.600 -0.455 0.000 2.156 93 M HA -0.049 4.424 4.480 -0.011 0.000 0.264 93 M C 2.171 178.296 176.300 -0.293 0.000 1.067 93 M CA 1.357 56.256 55.300 -0.668 0.000 1.131 93 M CB -0.785 30.642 32.600 -1.953 0.000 1.368 93 M HN -0.051 nan 8.290 nan 0.000 0.416 94 T N -0.429 114.003 114.554 -0.203 0.000 2.684 94 T HA -0.217 4.126 4.350 -0.011 0.000 0.267 94 T C 1.727 176.415 174.700 -0.020 0.000 1.036 94 T CA 1.683 63.835 62.100 0.087 0.000 1.148 94 T CB -0.258 68.651 68.868 0.070 0.000 0.863 94 T HN 0.307 nan 8.240 nan 0.000 0.436 95 Q N 0.695 120.382 119.800 -0.188 0.000 2.181 95 Q HA 0.026 4.359 4.340 -0.011 0.000 0.205 95 Q C 2.007 177.703 176.000 -0.506 0.000 0.980 95 Q CA 1.369 56.914 55.803 -0.430 0.000 0.862 95 Q CB -0.692 27.686 28.738 -0.601 0.000 0.905 95 Q HN 0.519 nan 8.270 nan 0.000 0.429 96 L N 0.111 121.242 121.223 -0.153 0.000 2.156 96 L HA -0.108 4.226 4.340 -0.011 0.000 0.208 96 L C 2.476 179.491 176.870 0.241 0.000 1.095 96 L CA 1.105 56.014 54.840 0.114 0.000 0.770 96 L CB -0.343 41.914 42.059 0.330 0.000 0.914 96 L HN 0.304 nan 8.230 nan 0.000 0.439 97 E N 0.539 120.965 120.200 0.376 0.000 2.110 97 E HA -0.204 4.139 4.350 -0.011 0.000 0.193 97 E C 2.217 178.926 176.600 0.181 0.000 0.988 97 E CA 1.234 57.875 56.400 0.403 0.000 0.804 97 E CB -0.029 29.950 29.700 0.464 0.000 0.745 97 E HN 0.491 nan 8.360 nan 0.000 0.458 98 L N -0.748 120.514 121.223 0.064 0.000 2.141 98 L HA -0.140 4.194 4.340 -0.011 0.000 0.209 98 L C 1.996 178.961 176.870 0.157 0.000 1.094 98 L CA 0.658 55.516 54.840 0.030 0.000 0.763 98 L CB -0.423 41.575 42.059 -0.101 0.000 0.908 98 L HN 0.223 nan 8.230 nan 0.000 0.437 99 W N 0.053 121.398 121.300 0.075 0.000 3.345 99 W HA 0.248 4.901 4.660 -0.012 0.000 0.282 99 W C 1.570 178.097 176.519 0.013 0.000 1.302 99 W CA 0.781 58.153 57.345 0.044 0.000 1.724 99 W CB -0.684 28.809 29.460 0.055 0.000 1.104 99 W HN 0.361 nan 8.180 nan 0.000 0.694 100 G N -0.341 108.585 108.800 0.209 0.000 2.278 100 G HA2 -0.285 3.669 3.960 -0.011 0.000 0.210 100 G HA3 -0.285 3.669 3.960 -0.011 0.000 0.210 100 G C 0.462 175.354 174.900 -0.013 0.000 1.000 100 G CA -0.331 44.821 45.100 0.087 0.000 0.635 100 G HN 0.160 nan 8.290 nan 0.000 0.495 101 C N 4.972 124.238 119.300 -0.058 0.000 2.106 101 C HA 0.377 4.830 4.460 -0.011 0.000 0.402 101 C C -0.868 173.853 174.990 -0.449 0.000 1.548 101 C CA -0.057 58.757 59.018 -0.340 0.000 1.432 101 C CB -0.089 27.334 27.740 -0.529 0.000 2.584 101 C HN 0.426 nan 8.230 nan 0.000 0.604 102 P HA 0.128 nan 4.420 nan 0.000 0.247 102 P C -0.691 176.412 177.300 -0.329 0.000 1.756 102 P CA -0.037 62.846 63.100 -0.361 0.000 1.117 102 P CB -0.243 31.205 31.700 -0.420 0.000 1.869 103 W N 1.376 122.608 121.300 -0.114 0.000 2.170 103 W HA 0.167 4.820 4.660 -0.012 0.000 0.336 103 W C 0.935 177.292 176.519 -0.270 0.000 1.283 103 W CA -0.201 57.054 57.345 -0.150 0.000 1.224 103 W CB 0.257 29.690 29.460 -0.046 0.000 1.132 103 W HN 0.186 nan 8.180 nan 0.000 0.571 104 S N 2.716 118.280 115.700 -0.226 0.000 2.579 104 S HA 0.341 4.804 4.470 -0.011 0.000 0.275 104 S C 0.258 174.704 174.600 -0.257 0.000 1.345 104 S CA -0.656 57.349 58.200 -0.325 0.000 1.031 104 S CB 0.412 63.245 63.200 -0.611 0.000 0.892 104 S HN 0.266 nan 8.310 nan 0.000 0.529 105 R N 1.128 121.543 120.500 -0.142 0.000 2.892 105 R HA 0.497 4.831 4.340 -0.011 0.000 0.265 105 R C -0.226 176.039 176.300 -0.057 0.000 1.025 105 R CA -0.873 55.166 56.100 -0.101 0.000 0.982 105 R CB 0.987 31.249 30.300 -0.065 0.000 1.185 105 R HN 0.564 nan 8.270 nan 0.000 0.484 106 R N 0.741 121.207 120.500 -0.057 0.000 2.528 106 R HA 0.203 4.536 4.340 -0.011 0.000 0.271 106 R C -1.519 174.767 176.300 -0.023 0.000 1.056 106 R CA -1.670 54.413 56.100 -0.028 0.000 1.117 106 R CB 0.341 30.616 30.300 -0.042 0.000 1.085 106 R HN 0.246 nan 8.270 nan 0.000 0.530 107 P HA -0.182 nan 4.420 nan 0.000 0.218 107 P C 0.359 177.650 177.300 -0.016 0.000 1.146 107 P CA 1.289 64.384 63.100 -0.009 0.000 0.813 107 P CB 0.086 31.784 31.700 -0.002 0.000 0.778 108 D N -1.468 118.919 120.400 -0.022 0.000 2.352 108 D HA 0.016 4.649 4.640 -0.011 0.000 0.232 108 D C 1.379 177.661 176.300 -0.030 0.000 1.055 108 D CA 0.719 54.704 54.000 -0.024 0.000 0.891 108 D CB -1.054 39.730 40.800 -0.027 0.000 0.897 108 D HN 0.233 nan 8.370 nan 0.000 0.529 109 G N 0.214 108.993 108.800 -0.034 0.000 2.179 109 G HA2 -0.306 3.647 3.960 -0.011 0.000 0.260 109 G HA3 -0.306 3.647 3.960 -0.011 0.000 0.260 109 G C 0.411 175.277 174.900 -0.057 0.000 0.977 109 G CA 0.539 45.617 45.100 -0.037 0.000 0.641 109 G HN 0.812 nan 8.290 nan 0.000 0.533 110 S N -0.417 115.238 115.700 -0.076 0.000 2.617 110 S HA 0.704 5.167 4.470 -0.011 0.000 0.269 110 S C 0.704 175.206 174.600 -0.165 0.000 1.292 110 S CA -0.160 57.969 58.200 -0.119 0.000 1.010 110 S CB 2.051 65.180 63.200 -0.118 0.000 0.944 110 S HN 1.802 nan 8.310 nan 0.000 0.536 111 V N 0.322 120.072 119.914 -0.273 0.000 2.775 111 V HA 0.474 4.587 4.120 -0.011 0.000 0.299 111 V C 0.255 176.134 176.094 -0.358 0.000 1.062 111 V CA -0.903 61.185 62.300 -0.353 0.000 1.063 111 V CB 0.476 31.924 31.823 -0.625 0.000 0.994 111 V HN 0.900 nan 8.190 nan 0.000 0.483 112 N N 2.153 120.698 118.700 -0.258 0.000 2.495 112 N HA 0.704 5.438 4.740 -0.011 0.000 0.280 112 N C -0.692 174.861 175.510 0.073 0.000 1.168 112 N CA -0.093 52.914 53.050 -0.071 0.000 0.978 112 N CB 1.728 40.256 38.487 0.069 0.000 1.191 112 N HN 1.072 nan 8.380 nan 0.000 0.497 113 V N -0.575 119.459 119.914 0.199 0.000 3.007 113 V HA 0.807 4.920 4.120 -0.011 0.000 0.311 113 V C -0.578 175.626 176.094 0.184 0.000 1.120 113 V CA -1.016 61.428 62.300 0.239 0.000 0.980 113 V CB 1.833 33.669 31.823 0.021 0.000 1.033 113 V HN 0.889 nan 8.190 nan 0.000 0.429 114 R N 1.517 122.076 120.500 0.098 0.000 2.869 114 R HA 0.709 5.042 4.340 -0.011 0.000 0.263 114 R C -0.758 175.616 176.300 0.123 0.000 1.066 114 R CA -1.097 55.005 56.100 0.003 0.000 0.960 114 R CB 2.081 32.240 30.300 -0.234 0.000 1.221 114 R HN 0.852 nan 8.270 nan 0.000 0.474 115 R N 0.909 121.440 120.500 0.052 0.000 2.349 115 R HA 0.440 4.774 4.340 -0.011 0.000 0.299 115 R C -1.455 174.836 176.300 -0.015 0.000 1.027 115 R CA -0.111 56.021 56.100 0.054 0.000 0.958 115 R CB 0.656 30.939 30.300 -0.029 0.000 1.047 115 R HN 0.528 nan 8.270 nan 0.000 0.468 116 F N 0.572 120.524 119.950 0.003 0.000 2.686 116 F HA 0.369 4.890 4.527 -0.011 0.000 0.311 116 F C 0.840 176.654 175.800 0.024 0.000 1.128 116 F CA -0.065 57.946 58.000 0.017 0.000 0.946 116 F CB 2.295 41.317 39.000 0.037 0.000 1.336 116 F HN 0.739 nan 8.300 nan 0.000 0.457 117 G N 0.632 109.564 108.800 0.220 0.000 2.212 117 G HA2 0.057 4.011 3.960 -0.011 0.000 0.267 117 G HA3 0.057 4.011 3.960 -0.011 0.000 0.267 117 G C 1.125 176.067 174.900 0.070 0.000 1.002 117 G CA 0.982 46.160 45.100 0.130 0.000 0.729 117 G HN 2.168 nan 8.290 nan 0.000 0.517 118 G N -1.460 107.361 108.800 0.034 0.000 2.168 118 G HA2 -0.297 3.657 3.960 -0.011 0.000 0.263 118 G HA3 -0.297 3.657 3.960 -0.011 0.000 0.263 118 G C 0.545 175.462 174.900 0.029 0.000 0.977 118 G CA 1.023 46.131 45.100 0.013 0.000 0.659 118 G HN 1.183 nan 8.290 nan 0.000 0.533 119 M N -0.048 119.582 119.600 0.050 0.000 2.251 119 M HA 0.189 4.662 4.480 -0.011 0.000 0.343 119 M C 1.681 177.996 176.300 0.025 0.000 1.245 119 M CA 0.948 56.278 55.300 0.050 0.000 1.061 119 M CB 0.721 33.355 32.600 0.056 0.000 1.723 119 M HN 0.272 nan 8.290 nan 0.000 0.449 120 K N 3.013 123.419 120.400 0.010 0.000 2.026 120 K HA -0.034 4.279 4.320 -0.011 0.000 0.208 120 K C 0.182 176.777 176.600 -0.007 0.000 1.048 120 K CA 1.058 57.338 56.287 -0.011 0.000 0.929 120 K CB 0.331 32.799 32.500 -0.053 0.000 0.713 120 K HN 0.497 nan 8.250 nan 0.000 0.439 121 I N 3.610 124.165 120.570 -0.026 0.000 2.315 121 I HA 0.050 4.214 4.170 -0.011 0.000 0.291 121 I C -0.295 175.812 176.117 -0.016 0.000 1.006 121 I CA -0.895 60.388 61.300 -0.027 0.000 1.265 121 I CB 0.959 38.889 38.000 -0.118 0.000 1.387 121 I HN 0.317 nan 8.210 nan 0.000 0.475 122 E N 7.861 128.070 120.200 0.016 0.000 2.415 122 E HA 0.022 4.365 4.350 -0.011 0.000 0.263 122 E C 0.143 176.753 176.600 0.018 0.000 0.995 122 E CA -0.139 56.282 56.400 0.034 0.000 0.915 122 E CB 0.652 30.382 29.700 0.049 0.000 0.951 122 E HN 0.779 nan 8.360 nan 0.000 0.449 123 R N 0.554 121.083 120.500 0.048 0.000 2.494 123 R HA 0.168 4.501 4.340 -0.011 0.000 0.400 123 R C -0.738 175.676 176.300 0.190 0.000 0.856 123 R CA -0.530 55.609 56.100 0.064 0.000 1.112 123 R CB -0.105 30.164 30.300 -0.051 0.000 1.697 123 R HN 0.253 nan 8.270 nan 0.000 0.544 124 T N 2.017 116.699 114.554 0.213 0.000 2.728 124 T HA 0.233 4.577 4.350 -0.011 0.000 0.296 124 T C -0.860 174.094 174.700 0.423 0.000 0.940 124 T CA -0.194 62.057 62.100 0.252 0.000 1.013 124 T CB 0.259 69.230 68.868 0.172 0.000 0.912 124 T HN 0.130 nan 8.240 nan 0.000 0.484 125 W N 4.742 126.043 121.300 0.001 0.000 2.202 125 W HA 0.565 5.219 4.660 -0.010 0.000 0.332 125 W C -0.028 176.710 176.519 0.364 0.000 1.263 125 W CA -1.384 55.939 57.345 -0.036 0.000 1.223 125 W CB -0.141 28.859 29.460 -0.766 0.000 1.128 125 W HN 0.617 nan 8.180 nan 0.000 0.573 126 F N -0.488 119.744 119.950 0.469 0.000 2.645 126 F HA 0.795 5.315 4.527 -0.011 0.000 0.310 126 F C -0.559 175.570 175.800 0.548 0.000 1.102 126 F CA -2.039 56.275 58.000 0.523 0.000 0.952 126 F CB 1.304 40.478 39.000 0.291 0.000 1.326 126 F HN 0.341 nan 8.300 nan 0.000 0.456 127 A N 2.664 125.728 122.820 0.408 0.000 2.923 127 A HA 0.793 5.106 4.320 -0.011 0.000 0.343 127 A C 0.635 178.383 177.584 0.274 0.000 1.199 127 A CA -0.034 52.102 52.037 0.166 0.000 0.878 127 A CB -0.711 18.344 19.000 0.091 0.000 1.104 127 A HN 2.478 nan 8.150 nan 0.000 0.483 128 A N 1.667 124.655 122.820 0.281 0.000 5.700 128 A HA -0.211 4.103 4.320 -0.011 0.000 0.288 128 A C 0.625 178.448 177.584 0.399 0.000 2.009 128 A CA 1.400 53.642 52.037 0.341 0.000 0.716 128 A CB -1.280 17.846 19.000 0.209 0.000 1.208 128 A HN 1.549 nan 8.150 nan 0.000 0.371 129 D N -0.661 119.904 120.400 0.275 0.000 2.755 129 D HA 0.399 5.032 4.640 -0.011 0.000 0.257 129 D C 0.221 176.634 176.300 0.189 0.000 1.291 129 D CA 0.251 54.409 54.000 0.264 0.000 0.836 129 D CB 0.158 41.120 40.800 0.268 0.000 1.059 129 D HN 0.568 nan 8.370 nan 0.000 0.486 130 K N -0.274 120.206 120.400 0.134 0.000 2.676 130 K HA 0.148 4.461 4.320 -0.011 0.000 0.205 130 K C 0.767 177.460 176.600 0.156 0.000 1.084 130 K CA -0.081 56.205 56.287 -0.002 0.000 1.057 130 K CB 0.721 33.105 32.500 -0.193 0.000 0.791 130 K HN -0.059 nan 8.250 nan 0.000 0.484 131 T N -0.279 114.404 114.554 0.215 0.000 2.699 131 T HA -0.180 4.164 4.350 -0.011 0.000 0.268 131 T C 1.865 176.660 174.700 0.159 0.000 1.036 131 T CA 1.897 64.132 62.100 0.225 0.000 1.147 131 T CB -0.149 68.885 68.868 0.277 0.000 0.862 131 T HN 0.517 nan 8.240 nan 0.000 0.446 132 G N 0.389 109.272 108.800 0.138 0.000 2.408 132 G HA2 -0.135 3.818 3.960 -0.011 0.000 0.217 132 G HA3 -0.135 3.818 3.960 -0.011 0.000 0.217 132 G C 1.335 176.302 174.900 0.112 0.000 1.150 132 G CA 0.399 45.564 45.100 0.109 0.000 0.776 132 G HN 0.506 nan 8.290 nan 0.000 0.542 133 F N 1.049 120.957 119.950 -0.070 0.000 2.102 133 F HA -0.053 4.467 4.527 -0.011 0.000 0.298 133 F C 2.535 178.273 175.800 -0.103 0.000 1.105 133 F CA 1.605 59.529 58.000 -0.127 0.000 1.239 133 F CB -0.145 38.640 39.000 -0.358 0.000 0.991 133 F HN 0.168 nan 8.300 nan 0.000 0.474 134 H N -0.281 118.778 119.070 -0.017 0.000 2.546 134 H HA 0.011 4.560 4.556 -0.011 0.000 0.277 134 H C 1.994 177.196 175.328 -0.211 0.000 1.004 134 H CA 1.517 57.449 56.048 -0.193 0.000 1.231 134 H CB -0.135 29.541 29.762 -0.144 0.000 1.382 134 H HN 0.415 nan 8.280 nan 0.000 0.580 135 M N -0.937 118.652 119.600 -0.018 0.000 2.398 135 M HA -0.032 4.441 4.480 -0.011 0.000 0.261 135 M C 2.246 178.573 176.300 0.046 0.000 1.125 135 M CA 0.380 55.679 55.300 -0.001 0.000 1.183 135 M CB -0.026 32.609 32.600 0.059 0.000 1.322 135 M HN 0.078 nan 8.290 nan 0.000 0.467 136 L N 0.264 121.510 121.223 0.038 0.000 2.043 136 L HA -0.246 4.087 4.340 -0.011 0.000 0.212 136 L C 2.412 179.281 176.870 -0.000 0.000 1.075 136 L CA 2.048 56.903 54.840 0.024 0.000 0.752 136 L CB -0.795 41.265 42.059 0.002 0.000 0.891 136 L HN 0.336 nan 8.230 nan 0.000 0.432 137 H N -1.694 117.275 119.070 -0.169 0.000 2.395 137 H HA -0.081 4.469 4.556 -0.010 0.000 0.299 137 H C 2.006 177.315 175.328 -0.031 0.000 1.070 137 H CA 1.634 57.602 56.048 -0.135 0.000 1.356 137 H CB 0.021 29.533 29.762 -0.417 0.000 1.401 137 H HN 0.393 nan 8.280 nan 0.000 0.524 138 T N 1.662 116.261 114.554 0.075 0.000 2.652 138 T HA -0.130 4.213 4.350 -0.011 0.000 0.267 138 T C 2.388 177.124 174.700 0.062 0.000 1.039 138 T CA 0.873 63.013 62.100 0.067 0.000 1.153 138 T CB -0.372 68.538 68.868 0.070 0.000 0.863 138 T HN 0.159 nan 8.240 nan 0.000 0.428 139 L N -0.085 121.197 121.223 0.097 0.000 1.955 139 L HA -0.111 4.222 4.340 -0.011 0.000 0.213 139 L C 2.319 179.187 176.870 -0.003 0.000 1.072 139 L CA 1.796 56.673 54.840 0.062 0.000 0.755 139 L CB -0.722 41.408 42.059 0.118 0.000 0.888 139 L HN 0.217 nan 8.230 nan 0.000 0.432 140 F N 0.940 120.835 119.950 -0.092 0.000 2.063 140 F HA -0.326 4.194 4.527 -0.012 0.000 0.298 140 F C 2.644 178.381 175.800 -0.104 0.000 1.109 140 F CA 1.995 59.928 58.000 -0.111 0.000 1.212 140 F CB -0.452 38.442 39.000 -0.176 0.000 0.973 140 F HN 0.095 nan 8.300 nan 0.000 0.480 141 Q N -0.781 118.859 119.800 -0.267 0.000 2.119 141 Q HA -0.152 4.181 4.340 -0.011 0.000 0.201 141 Q C 2.110 177.904 176.000 -0.344 0.000 0.972 141 Q CA 2.123 57.703 55.803 -0.373 0.000 0.847 141 Q CB -0.471 28.193 28.738 -0.123 0.000 0.903 141 Q HN 0.390 nan 8.270 nan 0.000 0.433 142 T N 0.534 114.915 114.554 -0.289 0.000 2.759 142 T HA -0.158 4.185 4.350 -0.011 0.000 0.269 142 T C 1.939 176.452 174.700 -0.311 0.000 1.042 142 T CA 1.491 63.356 62.100 -0.393 0.000 1.140 142 T CB -0.280 68.175 68.868 -0.688 0.000 0.864 142 T HN 0.436 nan 8.240 nan 0.000 0.455 143 S N 1.145 116.699 115.700 -0.243 0.000 2.555 143 S HA 0.125 4.589 4.470 -0.011 0.000 0.230 143 S C 1.850 176.391 174.600 -0.097 0.000 0.978 143 S CA 0.230 58.402 58.200 -0.047 0.000 0.934 143 S CB -0.706 62.429 63.200 -0.109 0.000 0.766 143 S HN 0.462 nan 8.310 nan 0.000 0.533 144 L N 1.235 122.280 121.223 -0.296 0.000 2.376 144 L HA -0.028 4.305 4.340 -0.011 0.000 0.219 144 L C 2.753 179.486 176.870 -0.229 0.000 1.133 144 L CA 1.066 55.735 54.840 -0.285 0.000 0.816 144 L CB -0.511 41.336 42.059 -0.354 0.000 0.933 144 L HN 0.608 nan 8.230 nan 0.000 0.449 145 Q N -0.366 119.230 119.800 -0.340 0.000 2.444 145 Q HA -0.020 4.314 4.340 -0.011 0.000 0.206 145 Q C -0.158 175.539 176.000 -0.505 0.000 0.948 145 Q CA 0.328 55.849 55.803 -0.470 0.000 0.946 145 Q CB -0.042 28.298 28.738 -0.663 0.000 1.027 145 Q HN 0.291 nan 8.270 nan 0.000 0.513 146 F N 2.805 122.670 119.950 -0.141 0.000 2.308 146 F HA 0.335 4.856 4.527 -0.010 0.000 0.370 146 F C -1.572 174.179 175.800 -0.081 0.000 1.100 146 F CA -2.731 55.207 58.000 -0.102 0.000 1.108 146 F CB 1.490 40.425 39.000 -0.107 0.000 1.293 146 F HN -0.070 nan 8.300 nan 0.000 0.478 147 P HA -0.186 nan 4.420 nan 0.000 0.225 147 P C 0.818 178.146 177.300 0.048 0.000 1.148 147 P CA 1.212 64.334 63.100 0.036 0.000 0.779 147 P CB 0.377 32.085 31.700 0.014 0.000 0.780 148 Q N 0.189 120.034 119.800 0.075 0.000 2.124 148 Q HA 0.001 4.334 4.340 -0.011 0.000 0.202 148 Q C 1.152 177.171 176.000 0.032 0.000 0.977 148 Q CA 0.780 56.611 55.803 0.047 0.000 0.850 148 Q CB -0.699 28.060 28.738 0.035 0.000 0.901 148 Q HN 0.355 nan 8.270 nan 0.000 0.429 149 I N 1.698 122.290 120.570 0.037 0.000 2.347 149 I HA 0.033 4.196 4.170 -0.011 0.000 0.294 149 I C -0.057 176.072 176.117 0.019 0.000 1.090 149 I CA -0.455 60.858 61.300 0.021 0.000 1.314 149 I CB 0.522 38.528 38.000 0.010 0.000 1.423 149 I HN 0.022 nan 8.210 nan 0.000 0.503 150 Q N 7.583 127.399 119.800 0.027 0.000 2.400 150 Q HA 0.316 4.649 4.340 -0.011 0.000 0.255 150 Q C -0.600 175.389 176.000 -0.018 0.000 1.008 150 Q CA -0.415 55.375 55.803 -0.022 0.000 0.841 150 Q CB 0.688 29.414 28.738 -0.020 0.000 1.220 150 Q HN 0.450 nan 8.270 nan 0.000 0.474 151 R N 2.772 123.232 120.500 -0.066 0.000 2.594 151 R HA 0.241 4.574 4.340 -0.011 0.000 0.272 151 R C -0.611 175.532 176.300 -0.262 0.000 1.074 151 R CA 0.069 56.155 56.100 -0.022 0.000 1.105 151 R CB 0.606 30.934 30.300 0.047 0.000 1.008 151 R HN 0.560 nan 8.270 nan 0.000 0.472 152 F N 1.746 121.592 119.950 -0.174 0.000 2.471 152 F HA 0.170 4.693 4.527 -0.005 0.000 0.318 152 F C -0.262 175.481 175.800 -0.096 0.000 1.308 152 F CA -0.881 56.909 58.000 -0.349 0.000 1.162 152 F CB 0.526 39.114 39.000 -0.687 0.000 1.383 152 F HN 0.301 nan 8.300 nan 0.000 0.552 153 D N 2.035 122.481 120.400 0.077 0.000 2.472 153 D HA -0.026 4.608 4.640 -0.011 0.000 0.237 153 D C 0.580 176.900 176.300 0.033 0.000 1.141 153 D CA 0.606 54.599 54.000 -0.011 0.000 0.875 153 D CB 0.538 41.280 40.800 -0.095 0.000 1.192 153 D HN 0.504 nan 8.370 nan 0.000 0.450 154 E N 0.716 120.849 120.200 -0.112 0.000 2.230 154 E HA -0.265 4.079 4.350 -0.011 0.000 0.206 154 E C -0.757 175.876 176.600 0.056 0.000 1.309 154 E CA 0.634 57.014 56.400 -0.034 0.000 0.697 154 E CB -1.345 28.310 29.700 -0.076 0.000 1.146 154 E HN 0.467 nan 8.360 nan 0.000 0.363 155 H N -0.228 118.862 119.070 0.033 0.000 2.658 155 H HA 0.382 4.931 4.556 -0.012 0.000 0.337 155 H C -0.975 174.397 175.328 0.072 0.000 1.009 155 H CA -0.565 55.526 56.048 0.071 0.000 1.231 155 H CB 0.799 30.613 29.762 0.086 0.000 1.508 155 H HN 0.214 nan 8.280 nan 0.000 0.517 156 F N 4.886 124.835 119.950 -0.002 0.000 2.335 156 F HA 0.301 4.821 4.527 -0.012 0.000 0.365 156 F C -0.414 175.388 175.800 0.002 0.000 1.122 156 F CA -0.744 57.246 58.000 -0.017 0.000 1.151 156 F CB 0.343 39.301 39.000 -0.070 0.000 1.282 156 F HN 0.270 nan 8.300 nan 0.000 0.513 157 V N 8.230 128.046 119.914 -0.163 0.000 2.458 157 V HA -0.125 3.988 4.120 -0.011 0.000 0.287 157 V C 1.160 177.236 176.094 -0.029 0.000 1.009 157 V CA 0.659 62.899 62.300 -0.100 0.000 1.091 157 V CB 0.604 32.326 31.823 -0.169 0.000 0.960 157 V HN 0.875 nan 8.190 nan 0.000 0.476 158 L N 2.837 124.137 121.223 0.128 0.000 2.168 158 L HA 0.289 4.622 4.340 -0.011 0.000 0.203 158 L C 0.687 177.648 176.870 0.153 0.000 1.078 158 L CA 0.869 55.833 54.840 0.207 0.000 0.780 158 L CB 0.184 42.350 42.059 0.179 0.000 0.939 158 L HN 0.714 nan 8.230 nan 0.000 0.451 159 D N -1.461 118.995 120.400 0.093 0.000 2.694 159 D HA 0.287 4.920 4.640 -0.011 0.000 0.260 159 D C -1.139 175.187 176.300 0.044 0.000 1.250 159 D CA -0.575 53.491 54.000 0.109 0.000 0.763 159 D CB 1.428 42.325 40.800 0.162 0.000 1.311 159 D HN 0.034 nan 8.370 nan 0.000 0.420 160 I N -1.467 119.106 120.570 0.005 0.000 2.918 160 I HA 0.604 4.767 4.170 -0.011 0.000 0.316 160 I C -0.532 175.495 176.117 -0.150 0.000 1.001 160 I CA -0.906 60.315 61.300 -0.133 0.000 1.142 160 I CB 1.214 39.054 38.000 -0.267 0.000 1.356 160 I HN 0.228 nan 8.210 nan 0.000 0.524 161 L N 4.097 125.241 121.223 -0.132 0.000 2.298 161 L HA 0.602 4.935 4.340 -0.011 0.000 0.284 161 L C -0.770 176.043 176.870 -0.095 0.000 1.013 161 L CA -0.764 54.036 54.840 -0.067 0.000 0.824 161 L CB 1.587 43.637 42.059 -0.015 0.000 1.221 161 L HN 0.410 nan 8.230 nan 0.000 0.418 162 V N 1.608 121.477 119.914 -0.076 0.000 2.680 162 V HA 0.574 4.687 4.120 -0.011 0.000 0.309 162 V C -1.078 175.036 176.094 0.034 0.000 1.052 162 V CA -0.469 61.807 62.300 -0.040 0.000 0.908 162 V CB 2.426 34.211 31.823 -0.063 0.000 1.001 162 V HN 0.696 nan 8.190 nan 0.000 0.431 163 D N 2.464 122.889 120.400 0.043 0.000 2.891 163 D HA 0.368 5.001 4.640 -0.011 0.000 0.224 163 D C -0.447 175.883 176.300 0.050 0.000 1.321 163 D CA -0.140 53.887 54.000 0.044 0.000 0.929 163 D CB 1.518 42.338 40.800 0.033 0.000 1.551 163 D HN 0.644 nan 8.370 nan 0.000 0.574 164 D N 3.403 123.827 120.400 0.040 0.000 2.699 164 D HA -0.129 4.505 4.640 -0.011 0.000 0.239 164 D C 0.945 177.276 176.300 0.051 0.000 1.136 164 D CA 2.394 56.416 54.000 0.036 0.000 0.668 164 D CB -1.128 39.688 40.800 0.026 0.000 1.060 164 D HN 1.035 nan 8.370 nan 0.000 0.429 165 G N -0.044 108.783 108.800 0.045 0.000 2.155 165 G HA2 -0.329 3.624 3.960 -0.011 0.000 0.257 165 G HA3 -0.329 3.624 3.960 -0.011 0.000 0.257 165 G C 0.076 175.002 174.900 0.043 0.000 0.983 165 G CA 0.628 45.747 45.100 0.031 0.000 0.676 165 G HN 0.866 nan 8.290 nan 0.000 0.528 166 H N -0.969 118.080 119.070 -0.034 0.000 2.806 166 H HA 0.572 5.126 4.556 -0.003 0.000 0.367 166 H C -0.390 174.908 175.328 -0.051 0.000 1.136 166 H CA -0.157 55.865 56.048 -0.043 0.000 1.178 166 H CB 2.156 31.901 29.762 -0.027 0.000 1.718 166 H HN 0.270 nan 8.280 nan 0.000 0.540 167 V N 5.071 124.920 119.914 -0.108 0.000 2.649 167 V HA 0.297 4.410 4.120 -0.011 0.000 0.292 167 V C 0.129 176.321 176.094 0.163 0.000 1.055 167 V CA -0.159 62.123 62.300 -0.031 0.000 1.023 167 V CB 0.702 32.438 31.823 -0.145 0.000 0.992 167 V HN 0.722 nan 8.190 nan 0.000 0.480 168 R N 4.589 125.131 120.500 0.069 0.000 2.668 168 R HA 0.456 4.789 4.340 -0.011 0.000 0.435 168 R C 0.292 176.606 176.300 0.023 0.000 1.059 168 R CA 0.480 56.620 56.100 0.068 0.000 1.073 168 R CB 0.447 30.775 30.300 0.047 0.000 1.401 168 R HN 1.195 nan 8.270 nan 0.000 0.590 169 G N 0.772 109.573 108.800 0.001 0.000 2.342 169 G HA2 -0.009 3.944 3.960 -0.011 0.000 0.220 169 G HA3 -0.009 3.944 3.960 -0.011 0.000 0.220 169 G C -1.568 173.305 174.900 -0.045 0.000 1.243 169 G CA -0.431 44.657 45.100 -0.019 0.000 1.083 169 G HN 0.212 nan 8.290 nan 0.000 0.500 170 L N -4.033 117.163 121.223 -0.044 0.000 2.869 170 L HA 0.893 5.226 4.340 -0.011 0.000 0.265 170 L C -0.656 176.199 176.870 -0.024 0.000 1.011 170 L CA -1.230 53.583 54.840 -0.046 0.000 0.913 170 L CB 1.350 43.364 42.059 -0.075 0.000 1.490 170 L HN 1.077 nan 8.230 nan 0.000 0.410 171 V N 0.762 120.677 119.914 0.001 0.000 2.495 171 V HA 0.990 5.104 4.120 -0.011 0.000 0.298 171 V C 0.290 176.409 176.094 0.041 0.000 1.031 171 V CA 0.329 62.647 62.300 0.030 0.000 0.871 171 V CB 1.022 32.875 31.823 0.050 0.000 0.988 171 V HN 1.239 nan 8.190 nan 0.000 0.432 172 A N 5.110 127.966 122.820 0.060 0.000 2.486 172 A HA 0.960 5.273 4.320 -0.011 0.000 0.289 172 A C -0.864 176.804 177.584 0.139 0.000 1.176 172 A CA -0.766 51.334 52.037 0.104 0.000 0.757 172 A CB 2.151 21.208 19.000 0.094 0.000 1.337 172 A HN 0.781 nan 8.150 nan 0.000 0.423 173 M N 1.815 121.500 119.600 0.143 0.000 2.253 173 M HA 0.287 4.760 4.480 -0.011 0.000 0.314 173 M C -0.901 175.335 176.300 -0.107 0.000 1.019 173 M CA -0.660 54.668 55.300 0.046 0.000 0.932 173 M CB 1.219 33.822 32.600 0.006 0.000 1.606 173 M HN 0.825 nan 8.290 nan 0.000 0.430 174 N N 5.061 123.643 118.700 -0.196 0.000 2.406 174 N HA 0.090 4.823 4.740 -0.011 0.000 0.265 174 N C 0.587 175.925 175.510 -0.286 0.000 1.203 174 N CA 0.281 53.012 53.050 -0.532 0.000 0.945 174 N CB 0.674 39.031 38.487 -0.217 0.000 1.165 174 N HN 0.866 nan 8.380 nan 0.000 0.485 175 M N 2.739 122.162 119.600 -0.294 0.000 2.108 175 M HA -0.228 4.245 4.480 -0.011 0.000 0.261 175 M C 1.794 178.062 176.300 -0.054 0.000 1.066 175 M CA 1.778 56.954 55.300 -0.208 0.000 1.107 175 M CB -0.110 32.351 32.600 -0.233 0.000 1.356 175 M HN 0.542 nan 8.290 nan 0.000 0.406 176 M N 0.112 119.756 119.600 0.073 0.000 2.123 176 M HA -0.102 4.371 4.480 -0.011 0.000 0.263 176 M C 1.908 178.247 176.300 0.065 0.000 1.069 176 M CA 1.711 57.109 55.300 0.164 0.000 1.133 176 M CB -0.162 32.520 32.600 0.136 0.000 1.356 176 M HN 0.016 nan 8.290 nan 0.000 0.415 177 E N -0.409 119.801 120.200 0.018 0.000 2.152 177 E HA 0.063 4.406 4.350 -0.011 0.000 0.192 177 E C 1.402 177.997 176.600 -0.009 0.000 0.983 177 E CA 1.098 57.506 56.400 0.014 0.000 0.818 177 E CB -0.452 29.263 29.700 0.026 0.000 0.758 177 E HN 0.662 nan 8.360 nan 0.000 0.467 178 G N 2.016 110.789 108.800 -0.044 0.000 2.143 178 G HA2 -0.267 3.686 3.960 -0.011 0.000 0.248 178 G HA3 -0.267 3.686 3.960 -0.011 0.000 0.248 178 G C 0.438 175.316 174.900 -0.037 0.000 0.991 178 G CA 0.830 45.893 45.100 -0.062 0.000 0.689 178 G HN 0.405 nan 8.290 nan 0.000 0.522 179 T N -1.249 113.297 114.554 -0.013 0.000 2.859 179 T HA 0.743 5.086 4.350 -0.011 0.000 0.281 179 T C 0.406 175.132 174.700 0.043 0.000 1.005 179 T CA -0.994 61.119 62.100 0.022 0.000 1.025 179 T CB 2.233 71.132 68.868 0.052 0.000 0.977 179 T HN 0.454 nan 8.240 nan 0.000 0.458 180 L N 2.478 123.732 121.223 0.053 0.000 2.395 180 L HA 0.653 4.986 4.340 -0.011 0.000 0.269 180 L C -0.303 176.641 176.870 0.122 0.000 1.133 180 L CA -0.853 54.032 54.840 0.075 0.000 0.812 180 L CB 1.203 43.295 42.059 0.055 0.000 1.125 180 L HN 0.498 nan 8.230 nan 0.000 0.452 181 V N 2.001 122.004 119.914 0.147 0.000 3.007 181 V HA 0.336 4.450 4.120 -0.011 0.000 0.311 181 V C -0.661 175.519 176.094 0.144 0.000 1.120 181 V CA -0.729 61.693 62.300 0.204 0.000 0.980 181 V CB 2.221 34.221 31.823 0.295 0.000 1.033 181 V HN 0.694 nan 8.190 nan 0.000 0.429 182 Q N 2.953 122.854 119.800 0.168 0.000 2.357 182 Q HA 0.603 4.937 4.340 -0.011 0.000 0.266 182 Q C -1.306 174.770 176.000 0.126 0.000 1.021 182 Q CA -0.320 55.545 55.803 0.102 0.000 0.784 182 Q CB 2.130 30.910 28.738 0.071 0.000 1.243 182 Q HN 0.610 nan 8.270 nan 0.000 0.465 183 I N 3.178 123.766 120.570 0.031 0.000 2.339 183 I HA 0.371 4.535 4.170 -0.011 0.000 0.290 183 I C 0.030 176.150 176.117 0.004 0.000 0.994 183 I CA -0.645 60.657 61.300 0.005 0.000 1.191 183 I CB 1.017 38.897 38.000 -0.199 0.000 1.343 183 I HN 0.301 nan 8.210 nan 0.000 0.458 184 R N 5.116 125.639 120.500 0.038 0.000 2.312 184 R HA 0.830 5.163 4.340 -0.011 0.000 0.311 184 R C -0.785 175.529 176.300 0.023 0.000 1.004 184 R CA -0.487 55.628 56.100 0.025 0.000 0.902 184 R CB 1.917 32.234 30.300 0.028 0.000 1.073 184 R HN 0.772 nan 8.270 nan 0.000 0.457 185 A N 2.389 125.221 122.820 0.021 0.000 2.605 185 A HA 0.306 4.619 4.320 -0.011 0.000 0.294 185 A C -0.509 177.113 177.584 0.063 0.000 1.062 185 A CA -0.797 51.259 52.037 0.031 0.000 0.682 185 A CB 1.374 20.381 19.000 0.011 0.000 1.278 185 A HN 0.681 nan 8.150 nan 0.000 0.410 186 N N 0.361 119.115 118.700 0.091 0.000 2.268 186 N HA 0.413 5.146 4.740 -0.011 0.000 0.204 186 N C -0.191 175.454 175.510 0.225 0.000 1.124 186 N CA 1.033 54.200 53.050 0.195 0.000 0.838 186 N CB 1.090 39.664 38.487 0.146 0.000 0.994 186 N HN 1.026 nan 8.380 nan 0.000 0.489 187 A N 0.032 122.926 122.820 0.123 0.000 2.500 187 A HA 0.517 4.830 4.320 -0.011 0.000 0.291 187 A C -1.187 176.443 177.584 0.077 0.000 1.048 187 A CA -0.459 51.658 52.037 0.133 0.000 0.791 187 A CB 1.062 20.134 19.000 0.120 0.000 1.309 187 A HN -0.091 nan 8.150 nan 0.000 0.397 188 V N 2.559 122.531 119.914 0.098 0.000 2.540 188 V HA 0.580 4.693 4.120 -0.011 0.000 0.302 188 V C -0.387 175.765 176.094 0.098 0.000 1.035 188 V CA -0.606 61.718 62.300 0.040 0.000 0.873 188 V CB 1.924 33.735 31.823 -0.020 0.000 0.992 188 V HN 0.740 nan 8.190 nan 0.000 0.428 189 V N 5.498 125.433 119.914 0.034 0.000 2.384 189 V HA 0.462 4.575 4.120 -0.011 0.000 0.287 189 V C 0.039 176.136 176.094 0.006 0.000 1.020 189 V CA -0.561 61.770 62.300 0.050 0.000 0.850 189 V CB 1.679 33.490 31.823 -0.020 0.000 0.987 189 V HN 0.723 nan 8.190 nan 0.000 0.436 190 M N 4.290 123.896 119.600 0.009 0.000 2.108 190 M HA 0.525 4.999 4.480 -0.011 0.000 0.354 190 M C 0.202 176.486 176.300 -0.027 0.000 1.229 190 M CA -0.073 55.205 55.300 -0.036 0.000 1.081 190 M CB 1.137 33.702 32.600 -0.058 0.000 1.606 190 M HN 0.750 nan 8.290 nan 0.000 0.467 191 A N 2.415 125.213 122.820 -0.038 0.000 3.234 191 A HA 0.326 4.639 4.320 -0.011 0.000 0.247 191 A C 0.847 178.409 177.584 -0.037 0.000 0.938 191 A CA -0.444 51.580 52.037 -0.021 0.000 1.039 191 A CB -0.357 18.643 19.000 0.000 0.000 1.197 191 A HN 0.800 nan 8.150 nan 0.000 0.498 192 T N -2.770 111.743 114.554 -0.067 0.000 3.129 192 T HA 0.463 4.806 4.350 -0.011 0.000 0.251 192 T C 1.166 175.819 174.700 -0.077 0.000 1.117 192 T CA 0.836 62.883 62.100 -0.089 0.000 1.034 192 T CB -0.240 68.544 68.868 -0.139 0.000 0.968 192 T HN 2.103 nan 8.240 nan 0.000 0.526 193 G N 0.129 108.894 108.800 -0.058 0.000 2.782 193 G HA2 0.212 4.165 3.960 -0.011 0.000 0.228 193 G HA3 0.212 4.165 3.960 -0.011 0.000 0.228 193 G C 0.205 175.037 174.900 -0.113 0.000 1.372 193 G CA -0.570 44.494 45.100 -0.060 0.000 0.862 193 G HN 0.813 nan 8.290 nan 0.000 0.547 194 G N -1.546 107.164 108.800 -0.150 0.000 2.485 194 G HA2 0.666 4.619 3.960 -0.011 0.000 0.260 194 G HA3 0.666 4.619 3.960 -0.011 0.000 0.260 194 G C 0.867 175.672 174.900 -0.159 0.000 1.459 194 G CA 1.070 46.047 45.100 -0.205 0.000 1.060 194 G HN 2.188 nan 8.290 nan 0.000 0.546 195 A N -1.370 121.360 122.820 -0.151 0.000 2.568 195 A HA 0.545 4.859 4.320 -0.011 0.000 0.287 195 A C 1.736 179.291 177.584 -0.050 0.000 0.967 195 A CA 0.946 52.930 52.037 -0.088 0.000 1.004 195 A CB 0.081 19.044 19.000 -0.063 0.000 1.233 195 A HN 1.122 nan 8.150 nan 0.000 0.513 196 G N 0.508 109.248 108.800 -0.101 0.000 2.485 196 G HA2 -0.238 3.715 3.960 -0.011 0.000 0.221 196 G HA3 -0.238 3.715 3.960 -0.011 0.000 0.221 196 G C 1.352 176.261 174.900 0.016 0.000 1.115 196 G CA 0.597 45.653 45.100 -0.074 0.000 0.751 196 G HN 0.445 nan 8.290 nan 0.000 0.567 197 R N 0.452 120.936 120.500 -0.027 0.000 2.395 197 R HA -0.024 4.309 4.340 -0.011 0.000 0.203 197 R C 2.294 178.598 176.300 0.007 0.000 1.076 197 R CA 0.934 57.025 56.100 -0.015 0.000 1.059 197 R CB -0.331 29.947 30.300 -0.037 0.000 0.860 197 R HN 0.540 nan 8.270 nan 0.000 0.476 198 V N -3.413 116.526 119.914 0.042 0.000 3.541 198 V HA 0.076 4.189 4.120 -0.011 0.000 0.267 198 V C 0.473 176.472 176.094 -0.158 0.000 1.213 198 V CA 0.175 62.444 62.300 -0.051 0.000 1.149 198 V CB -0.714 31.059 31.823 -0.084 0.000 0.822 198 V HN -0.082 nan 8.190 nan 0.000 0.462 199 Y N 0.483 120.724 120.300 -0.098 0.000 2.310 199 Y HA 0.564 5.107 4.550 -0.012 0.000 0.326 199 Y C 1.742 177.547 175.900 -0.159 0.000 1.151 199 Y CA -0.798 57.239 58.100 -0.106 0.000 1.195 199 Y CB 0.974 39.365 38.460 -0.114 0.000 1.210 199 Y HN -0.165 nan 8.280 nan 0.000 0.483 200 R N 1.804 122.236 120.500 -0.113 0.000 2.082 200 R HA -0.152 4.181 4.340 -0.011 0.000 0.234 200 R C -0.714 175.302 176.300 -0.473 0.000 1.136 200 R CA 1.609 57.469 56.100 -0.400 0.000 0.935 200 R CB -0.385 29.538 30.300 -0.628 0.000 0.842 200 R HN 0.709 nan 8.270 nan 0.000 0.430 201 Y N 0.750 121.078 120.300 0.046 0.000 2.331 201 Y HA 0.257 4.800 4.550 -0.011 0.000 0.338 201 Y C 0.155 176.025 175.900 -0.050 0.000 0.976 201 Y CA -1.019 57.079 58.100 -0.004 0.000 1.137 201 Y CB 1.146 39.600 38.460 -0.009 0.000 1.172 201 Y HN 0.257 nan 8.280 nan 0.000 0.478 202 N N -1.955 116.787 118.700 0.071 0.000 3.039 202 N HA 0.360 5.093 4.740 -0.011 0.000 0.257 202 N C -0.124 175.385 175.510 -0.002 0.000 1.497 202 N CA -0.697 52.340 53.050 -0.023 0.000 0.861 202 N CB 1.138 39.590 38.487 -0.057 0.000 1.479 202 N HN 0.304 nan 8.380 nan 0.000 0.547 203 T N -3.781 110.787 114.554 0.023 0.000 3.069 203 T HA 0.286 4.630 4.350 -0.011 0.000 0.252 203 T C -0.147 174.629 174.700 0.126 0.000 1.053 203 T CA -0.246 61.906 62.100 0.087 0.000 0.964 203 T CB -1.034 67.958 68.868 0.207 0.000 1.005 203 T HN 0.509 nan 8.240 nan 0.000 0.532 204 N N 0.857 119.549 118.700 -0.015 0.000 2.493 204 N HA 0.495 5.228 4.740 -0.011 0.000 0.275 204 N C 0.323 175.765 175.510 -0.113 0.000 1.186 204 N CA -0.873 52.044 53.050 -0.221 0.000 0.978 204 N CB 0.711 39.003 38.487 -0.326 0.000 1.184 204 N HN 0.346 nan 8.380 nan 0.000 0.487 205 G N -0.887 107.808 108.800 -0.175 0.000 2.503 205 G HA2 0.236 4.189 3.960 -0.011 0.000 0.257 205 G HA3 0.236 4.189 3.960 -0.011 0.000 0.257 205 G C 1.053 175.931 174.900 -0.036 0.000 1.214 205 G CA -0.607 44.513 45.100 0.033 0.000 0.839 205 G HN 0.618 nan 8.290 nan 0.000 0.559 206 G N 0.410 109.207 108.800 -0.005 0.000 2.516 206 G HA2 -0.204 3.750 3.960 -0.011 0.000 0.221 206 G HA3 -0.204 3.750 3.960 -0.011 0.000 0.221 206 G C 1.429 176.308 174.900 -0.035 0.000 1.107 206 G CA 1.179 46.258 45.100 -0.035 0.000 0.747 206 G HN 0.861 nan 8.290 nan 0.000 0.567 207 I N -1.772 118.795 120.570 -0.005 0.000 3.793 207 I HA 0.254 4.418 4.170 -0.011 0.000 0.315 207 I C 0.240 176.343 176.117 -0.023 0.000 1.275 207 I CA -0.058 61.249 61.300 0.012 0.000 1.214 207 I CB 0.327 38.354 38.000 0.045 0.000 1.018 207 I HN -0.174 nan 8.210 nan 0.000 0.439 208 V N 3.475 123.346 119.914 -0.073 0.000 2.071 208 V HA 0.056 4.170 4.120 -0.011 0.000 0.254 208 V C 1.549 177.596 176.094 -0.079 0.000 1.456 208 V CA 0.803 63.038 62.300 -0.109 0.000 1.383 208 V CB -0.681 31.013 31.823 -0.214 0.000 1.433 208 V HN 0.571 nan 8.190 nan 0.000 0.499 209 T N -2.022 112.508 114.554 -0.040 0.000 3.060 209 T HA 0.263 4.606 4.350 -0.011 0.000 0.249 209 T C 1.508 176.200 174.700 -0.014 0.000 1.079 209 T CA 0.478 62.576 62.100 -0.004 0.000 1.013 209 T CB 0.479 69.383 68.868 0.060 0.000 0.975 209 T HN 1.033 nan 8.240 nan 0.000 0.518 210 G N 1.976 110.738 108.800 -0.064 0.000 2.160 210 G HA2 -0.251 3.703 3.960 -0.011 0.000 0.244 210 G HA3 -0.251 3.703 3.960 -0.011 0.000 0.244 210 G C 0.313 175.118 174.900 -0.158 0.000 1.022 210 G CA 0.231 45.272 45.100 -0.098 0.000 0.741 210 G HN 0.475 nan 8.290 nan 0.000 0.508 211 D N 0.477 120.760 120.400 -0.194 0.000 2.103 211 D HA -0.094 4.540 4.640 -0.011 0.000 0.190 211 D C 2.564 178.557 176.300 -0.511 0.000 0.997 211 D CA 2.059 55.791 54.000 -0.447 0.000 0.833 211 D CB -0.903 39.705 40.800 -0.321 0.000 0.961 211 D HN 0.611 nan 8.370 nan 0.000 0.447 212 G N 0.605 109.219 108.800 -0.310 0.000 2.513 212 G HA2 -0.332 3.621 3.960 -0.011 0.000 0.219 212 G HA3 -0.332 3.621 3.960 -0.011 0.000 0.219 212 G C 1.667 176.438 174.900 -0.215 0.000 1.160 212 G CA 1.270 46.227 45.100 -0.238 0.000 0.767 212 G HN 0.213 nan 8.290 nan 0.000 0.571 213 M N 0.551 120.035 119.600 -0.195 0.000 2.086 213 M HA -0.010 4.464 4.480 -0.011 0.000 0.261 213 M C 2.916 179.125 176.300 -0.152 0.000 1.067 213 M CA 1.503 56.710 55.300 -0.155 0.000 1.116 213 M CB -0.618 31.903 32.600 -0.130 0.000 1.348 213 M HN 0.301 nan 8.290 nan 0.000 0.407 214 G N 0.140 108.816 108.800 -0.207 0.000 2.469 214 G HA2 -0.236 3.718 3.960 -0.011 0.000 0.220 214 G HA3 -0.236 3.718 3.960 -0.011 0.000 0.220 214 G C 1.499 176.350 174.900 -0.081 0.000 1.136 214 G CA 0.905 45.931 45.100 -0.122 0.000 0.759 214 G HN 0.379 nan 8.290 nan 0.000 0.562 215 M N 0.527 120.013 119.600 -0.190 0.000 2.200 215 M HA 0.076 4.549 4.480 -0.011 0.000 0.265 215 M C 3.038 179.383 176.300 0.075 0.000 1.066 215 M CA 1.250 56.538 55.300 -0.020 0.000 1.127 215 M CB -0.152 32.412 32.600 -0.059 0.000 1.379 215 M HN 0.307 nan 8.290 nan 0.000 0.420 216 A N 0.349 123.162 122.820 -0.012 0.000 1.969 216 A HA -0.058 4.255 4.320 -0.011 0.000 0.218 216 A C 2.105 179.690 177.584 0.002 0.000 1.169 216 A CA 1.027 53.065 52.037 0.002 0.000 0.635 216 A CB -0.770 18.186 19.000 -0.073 0.000 0.810 216 A HN 0.425 nan 8.150 nan 0.000 0.445 217 L N -0.508 120.696 121.223 -0.032 0.000 2.083 217 L HA -0.155 4.178 4.340 -0.011 0.000 0.209 217 L C 2.657 179.509 176.870 -0.029 0.000 1.083 217 L CA 1.464 56.281 54.840 -0.038 0.000 0.752 217 L CB -0.287 41.749 42.059 -0.039 0.000 0.899 217 L HN 0.317 nan 8.230 nan 0.000 0.433 218 S N -1.797 113.873 115.700 -0.050 0.000 2.474 218 S HA -0.108 4.356 4.470 -0.011 0.000 0.235 218 S C 1.074 175.453 174.600 -0.370 0.000 0.997 218 S CA 0.679 58.772 58.200 -0.178 0.000 0.949 218 S CB -0.264 62.814 63.200 -0.204 0.000 0.766 218 S HN 0.430 nan 8.310 nan 0.000 0.517 219 H N -0.187 118.877 119.070 -0.009 0.000 2.524 219 H HA 0.312 4.862 4.556 -0.009 0.000 0.297 219 H C 1.543 176.870 175.328 -0.001 0.000 1.115 219 H CA 0.352 56.395 56.048 -0.010 0.000 1.027 219 H CB -0.087 29.660 29.762 -0.026 0.000 1.591 219 H HN 0.453 nan 8.280 nan 0.000 0.543 220 G N 0.969 109.807 108.800 0.064 0.000 2.196 220 G HA2 -0.324 3.630 3.960 -0.011 0.000 0.268 220 G HA3 -0.324 3.630 3.960 -0.011 0.000 0.268 220 G C 0.496 175.468 174.900 0.121 0.000 0.975 220 G CA 0.545 45.715 45.100 0.117 0.000 0.648 220 G HN 0.292 nan 8.290 nan 0.000 0.538 221 V N 3.218 123.146 119.914 0.022 0.000 2.649 221 V HA 0.491 4.605 4.120 -0.011 0.000 0.292 221 V C -1.107 174.831 176.094 -0.260 0.000 1.055 221 V CA -0.883 61.360 62.300 -0.094 0.000 1.023 221 V CB 1.550 33.318 31.823 -0.091 0.000 0.992 221 V HN 0.283 nan 8.190 nan 0.000 0.480 222 P HA 0.429 nan 4.420 nan 0.000 0.290 222 P C -1.279 175.762 177.300 -0.432 0.000 1.283 222 P CA -0.640 61.994 63.100 -0.777 0.000 0.869 222 P CB 1.556 32.312 31.700 -1.575 0.000 1.100 223 L N 2.504 123.529 121.223 -0.331 0.000 2.264 223 L HA 0.476 4.809 4.340 -0.011 0.000 0.289 223 L C 1.142 177.907 176.870 -0.175 0.000 1.044 223 L CA -0.670 54.046 54.840 -0.207 0.000 0.807 223 L CB 0.937 42.910 42.059 -0.144 0.000 1.192 223 L HN 0.392 nan 8.230 nan 0.000 0.425 224 R N 3.390 123.802 120.500 -0.146 0.000 2.404 224 R HA 0.139 4.472 4.340 -0.011 0.000 0.291 224 R C -0.263 176.047 176.300 0.017 0.000 1.025 224 R CA -0.385 55.664 56.100 -0.086 0.000 0.991 224 R CB 0.712 30.922 30.300 -0.150 0.000 1.053 224 R HN 0.651 nan 8.270 nan 0.000 0.479 225 D N 3.971 124.451 120.400 0.133 0.000 2.737 225 D HA -0.205 4.428 4.640 -0.011 0.000 0.233 225 D C 0.696 177.143 176.300 0.246 0.000 1.155 225 D CA 0.750 54.938 54.000 0.313 0.000 0.667 225 D CB -0.295 40.753 40.800 0.412 0.000 1.060 225 D HN 0.616 nan 8.370 nan 0.000 0.427 226 M N -0.258 119.385 119.600 0.071 0.000 2.629 226 M HA -0.134 4.340 4.480 -0.011 0.000 0.257 226 M C 2.055 178.337 176.300 -0.030 0.000 1.071 226 M CA 1.121 56.432 55.300 0.018 0.000 1.077 226 M CB -0.445 32.144 32.600 -0.019 0.000 1.423 226 M HN 0.264 nan 8.290 nan 0.000 0.508 227 E N -0.037 120.057 120.200 -0.177 0.000 2.427 227 E HA -0.091 4.252 4.350 -0.011 0.000 0.196 227 E C -0.130 176.247 176.600 -0.370 0.000 1.028 227 E CA 0.306 56.484 56.400 -0.369 0.000 0.864 227 E CB -0.483 28.797 29.700 -0.701 0.000 0.813 227 E HN 0.381 nan 8.360 nan 0.000 0.514 228 F N 1.979 121.945 119.950 0.026 0.000 2.451 228 F HA 0.236 4.755 4.527 -0.012 0.000 0.356 228 F C -0.124 175.706 175.800 0.049 0.000 1.178 228 F CA -0.717 57.319 58.000 0.060 0.000 1.210 228 F CB 0.940 39.978 39.000 0.063 0.000 1.504 228 F HN -0.292 nan 8.300 nan 0.000 0.598 229 V N 3.152 123.171 119.914 0.176 0.000 2.333 229 V HA 0.171 4.284 4.120 -0.011 0.000 0.274 229 V C 0.099 176.285 176.094 0.154 0.000 1.028 229 V CA -0.810 61.545 62.300 0.091 0.000 0.851 229 V CB 1.291 33.121 31.823 0.012 0.000 1.000 229 V HN 0.611 nan 8.190 nan 0.000 0.456 230 Q N 4.220 124.107 119.800 0.145 0.000 2.293 230 Q HA 0.264 4.597 4.340 -0.011 0.000 0.263 230 Q C -1.567 174.554 176.000 0.202 0.000 1.002 230 Q CA -0.209 55.718 55.803 0.205 0.000 0.910 230 Q CB 0.561 29.445 28.738 0.242 0.000 1.185 230 Q HN 0.666 nan 8.270 nan 0.000 0.401 231 Y N 2.085 122.393 120.300 0.014 0.000 2.387 231 Y HA 0.236 4.779 4.550 -0.011 0.000 0.330 231 Y C -0.387 175.522 175.900 0.016 0.000 1.133 231 Y CA -0.641 57.457 58.100 -0.004 0.000 1.152 231 Y CB 1.404 39.813 38.460 -0.085 0.000 1.215 231 Y HN 0.688 nan 8.280 nan 0.000 0.466 232 H N 5.079 124.179 119.070 0.050 0.000 2.517 232 H HA 0.243 4.793 4.556 -0.011 0.000 0.317 232 H C -1.705 173.600 175.328 -0.038 0.000 1.080 232 H CA -2.137 53.870 56.048 -0.068 0.000 1.301 232 H CB 1.600 31.192 29.762 -0.283 0.000 1.425 232 H HN 0.337 nan 8.280 nan 0.000 0.471 233 P HA -0.136 nan 4.420 nan 0.000 0.218 233 P C -0.009 177.314 177.300 0.039 0.000 1.148 233 P CA 1.086 64.149 63.100 -0.062 0.000 0.822 233 P CB 0.212 31.854 31.700 -0.097 0.000 0.784 234 T N -2.172 112.518 114.554 0.226 0.000 3.053 234 T HA 0.681 5.024 4.350 -0.011 0.000 0.363 234 T C 0.113 174.868 174.700 0.091 0.000 1.239 234 T CA -0.773 61.428 62.100 0.167 0.000 1.071 234 T CB 0.920 69.884 68.868 0.160 0.000 1.089 234 T HN 0.061 nan 8.240 nan 0.000 0.527 235 G N 2.833 111.630 108.800 -0.005 0.000 2.563 235 G HA2 0.634 4.587 3.960 -0.011 0.000 0.302 235 G HA3 0.634 4.587 3.960 -0.011 0.000 0.302 235 G C -0.653 174.208 174.900 -0.064 0.000 1.301 235 G CA -1.207 43.855 45.100 -0.065 0.000 0.965 235 G HN 0.791 nan 8.290 nan 0.000 0.480 236 L N 2.165 123.351 121.223 -0.062 0.000 2.439 236 L HA 0.287 4.620 4.340 -0.011 0.000 0.269 236 L C -1.613 175.216 176.870 -0.068 0.000 1.179 236 L CA -1.544 53.272 54.840 -0.041 0.000 0.828 236 L CB 1.015 43.061 42.059 -0.023 0.000 1.106 236 L HN 0.294 nan 8.230 nan 0.000 0.467 237 P HA 0.013 nan 4.420 nan 0.000 0.269 237 P C 0.736 177.988 177.300 -0.080 0.000 1.215 237 P CA 0.718 63.751 63.100 -0.112 0.000 0.780 237 P CB 1.067 32.723 31.700 -0.072 0.000 0.898 238 G N 2.448 111.173 108.800 -0.125 0.000 4.861 238 G HA2 -0.414 3.539 3.960 -0.011 0.000 0.226 238 G HA3 -0.414 3.539 3.960 -0.011 0.000 0.226 238 G C 1.509 176.473 174.900 0.108 0.000 1.350 238 G CA 1.188 46.311 45.100 0.038 0.000 1.018 238 G HN 0.684 nan 8.290 nan 0.000 0.712 239 S N 0.933 116.646 115.700 0.022 0.000 2.402 239 S HA 0.285 4.748 4.470 -0.011 0.000 0.229 239 S C 2.751 177.343 174.600 -0.013 0.000 1.021 239 S CA 2.009 60.193 58.200 -0.026 0.000 0.974 239 S CB -0.529 62.585 63.200 -0.143 0.000 0.800 239 S HN 2.716 nan 8.310 nan 0.000 0.484 240 G N 1.129 109.918 108.800 -0.018 0.000 2.184 240 G HA2 -0.262 3.691 3.960 -0.011 0.000 0.264 240 G HA3 -0.262 3.691 3.960 -0.011 0.000 0.264 240 G C 0.133 174.996 174.900 -0.061 0.000 0.975 240 G CA 0.283 45.373 45.100 -0.017 0.000 0.642 240 G HN 0.643 nan 8.290 nan 0.000 0.536 241 I N 0.656 121.165 120.570 -0.102 0.000 2.775 241 I HA 0.102 4.265 4.170 -0.011 0.000 0.290 241 I C 1.092 177.126 176.117 -0.138 0.000 1.203 241 I CA -0.483 60.737 61.300 -0.134 0.000 1.433 241 I CB 0.567 38.439 38.000 -0.213 0.000 1.354 241 I HN 0.175 nan 8.210 nan 0.000 0.579 242 L N 8.509 129.638 121.223 -0.157 0.000 2.410 242 L HA 0.156 4.489 4.340 -0.011 0.000 0.273 242 L C -0.071 176.667 176.870 -0.219 0.000 1.144 242 L CA 0.508 55.196 54.840 -0.252 0.000 0.863 242 L CB 0.350 42.220 42.059 -0.315 0.000 1.140 242 L HN 0.459 nan 8.230 nan 0.000 0.463 243 M N 5.179 124.663 119.600 -0.192 0.000 2.495 243 M HA 0.147 4.621 4.480 -0.011 0.000 0.346 243 M C 0.419 176.698 176.300 -0.036 0.000 1.251 243 M CA -0.182 55.065 55.300 -0.089 0.000 1.249 243 M CB -0.110 32.477 32.600 -0.023 0.000 1.229 243 M HN 0.775 nan 8.290 nan 0.000 0.450 244 T N 1.153 115.695 114.554 -0.020 0.000 2.870 244 T HA -0.141 4.202 4.350 -0.011 0.000 0.311 244 T C 1.384 176.197 174.700 0.189 0.000 1.052 244 T CA 0.950 63.114 62.100 0.106 0.000 1.131 244 T CB 0.418 69.392 68.868 0.177 0.000 1.082 244 T HN 0.811 nan 8.240 nan 0.000 0.511 245 E N 2.342 122.711 120.200 0.282 0.000 2.267 245 E HA -0.124 4.219 4.350 -0.011 0.000 0.197 245 E C 2.126 178.718 176.600 -0.014 0.000 0.998 245 E CA 1.199 57.672 56.400 0.121 0.000 0.830 245 E CB -0.817 28.914 29.700 0.052 0.000 0.751 245 E HN 0.930 nan 8.360 nan 0.000 0.491 246 G N 0.703 109.533 108.800 0.050 0.000 2.507 246 G HA2 -0.346 3.607 3.960 -0.011 0.000 0.221 246 G HA3 -0.346 3.607 3.960 -0.011 0.000 0.221 246 G C 1.628 176.525 174.900 -0.004 0.000 1.119 246 G CA 1.043 46.143 45.100 0.001 0.000 0.751 246 G HN 0.435 nan 8.290 nan 0.000 0.574 247 C N -0.201 119.116 119.300 0.027 0.000 2.410 247 C HA 0.010 4.463 4.460 -0.011 0.000 0.281 247 C C 2.891 177.880 174.990 -0.001 0.000 1.318 247 C CA 0.852 59.879 59.018 0.016 0.000 1.776 247 C CB -0.839 26.920 27.740 0.032 0.000 1.942 247 C HN 0.477 nan 8.230 nan 0.000 0.508 248 R N 0.107 120.600 120.500 -0.012 0.000 2.128 248 R HA 0.059 4.392 4.340 -0.011 0.000 0.211 248 R C 2.504 178.778 176.300 -0.043 0.000 1.067 248 R CA 1.020 57.110 56.100 -0.016 0.000 1.010 248 R CB -0.573 29.715 30.300 -0.020 0.000 0.922 248 R HN 0.540 nan 8.270 nan 0.000 0.457 249 G N 1.131 109.873 108.800 -0.097 0.000 2.535 249 G HA2 -0.185 3.768 3.960 -0.011 0.000 0.218 249 G HA3 -0.185 3.768 3.960 -0.011 0.000 0.218 249 G C 0.935 175.794 174.900 -0.068 0.000 1.122 249 G CA 0.482 45.509 45.100 -0.123 0.000 0.769 249 G HN 0.196 nan 8.290 nan 0.000 0.549 250 E N -0.010 120.165 120.200 -0.042 0.000 2.451 250 E HA 0.237 4.580 4.350 -0.011 0.000 0.194 250 E C 1.454 178.049 176.600 -0.008 0.000 1.027 250 E CA 0.348 56.735 56.400 -0.022 0.000 0.914 250 E CB 0.273 29.963 29.700 -0.017 0.000 1.054 250 E HN 0.379 nan 8.360 nan 0.000 0.461 251 G N 1.046 109.857 108.800 0.019 0.000 2.141 251 G HA2 -0.218 3.735 3.960 -0.011 0.000 0.231 251 G HA3 -0.218 3.735 3.960 -0.011 0.000 0.231 251 G C 0.621 175.642 174.900 0.202 0.000 0.984 251 G CA -0.210 44.952 45.100 0.104 0.000 0.660 251 G HN 0.463 nan 8.290 nan 0.000 0.525 252 G N -0.031 108.812 108.800 0.072 0.000 2.527 252 G HA2 0.672 4.625 3.960 -0.011 0.000 0.248 252 G HA3 0.672 4.625 3.960 -0.011 0.000 0.248 252 G C 0.316 175.298 174.900 0.137 0.000 1.231 252 G CA 0.148 45.299 45.100 0.085 0.000 0.838 252 G HN 1.473 nan 8.290 nan 0.000 0.570 253 I N -1.641 119.029 120.570 0.166 0.000 2.892 253 I HA 0.698 4.861 4.170 -0.011 0.000 0.306 253 I C -0.863 175.287 176.117 0.055 0.000 1.078 253 I CA -1.390 59.953 61.300 0.073 0.000 1.032 253 I CB 2.361 40.381 38.000 0.033 0.000 1.229 253 I HN 0.209 nan 8.210 nan 0.000 0.435 254 L N 5.009 126.213 121.223 -0.033 0.000 2.325 254 L HA 0.727 5.061 4.340 -0.011 0.000 0.281 254 L C -0.470 176.326 176.870 -0.123 0.000 1.004 254 L CA -0.920 53.908 54.840 -0.019 0.000 0.823 254 L CB 1.805 43.830 42.059 -0.057 0.000 1.236 254 L HN 0.623 nan 8.230 nan 0.000 0.415 255 V N -0.164 119.828 119.914 0.129 0.000 2.914 255 V HA 0.669 4.782 4.120 -0.011 0.000 0.314 255 V C -0.509 175.842 176.094 0.428 0.000 1.084 255 V CA -0.835 61.592 62.300 0.211 0.000 0.963 255 V CB 1.860 33.789 31.823 0.178 0.000 1.025 255 V HN 0.804 nan 8.190 nan 0.000 0.432 256 N N 2.258 121.237 118.700 0.466 0.000 2.495 256 N HA 0.269 5.002 4.740 -0.011 0.000 0.294 256 N C 0.782 176.447 175.510 0.258 0.000 1.276 256 N CA -0.254 52.996 53.050 0.333 0.000 0.973 256 N CB 0.163 38.833 38.487 0.305 0.000 1.143 256 N HN 0.879 nan 8.380 nan 0.000 0.589 257 K N -1.551 118.947 120.400 0.164 0.000 2.442 257 K HA -0.007 4.307 4.320 -0.011 0.000 0.198 257 K C 0.029 176.719 176.600 0.150 0.000 1.044 257 K CA 1.083 57.462 56.287 0.154 0.000 0.948 257 K CB -0.310 32.238 32.500 0.081 0.000 0.762 257 K HN 0.338 nan 8.250 nan 0.000 0.472 258 N N 0.422 119.218 118.700 0.161 0.000 2.236 258 N HA 0.055 4.788 4.740 -0.011 0.000 0.196 258 N C 0.663 176.274 175.510 0.169 0.000 1.114 258 N CA 0.818 53.950 53.050 0.137 0.000 0.859 258 N CB 1.186 39.739 38.487 0.111 0.000 0.982 258 N HN 0.518 nan 8.380 nan 0.000 0.493 259 G N 0.940 109.865 108.800 0.208 0.000 2.148 259 G HA2 -0.322 3.631 3.960 -0.011 0.000 0.254 259 G HA3 -0.322 3.631 3.960 -0.011 0.000 0.254 259 G C -0.237 174.794 174.900 0.218 0.000 0.981 259 G CA 0.169 45.380 45.100 0.185 0.000 0.670 259 G HN 0.469 nan 8.290 nan 0.000 0.528 260 Y N 1.553 121.925 120.300 0.120 0.000 2.316 260 Y HA 0.587 5.131 4.550 -0.011 0.000 0.331 260 Y C 1.080 177.048 175.900 0.113 0.000 1.083 260 Y CA -1.347 56.816 58.100 0.106 0.000 1.206 260 Y CB 0.584 39.112 38.460 0.114 0.000 1.195 260 Y HN 0.156 nan 8.280 nan 0.000 0.497 261 R N 7.194 127.410 120.500 -0.474 0.000 3.710 261 R HA -0.002 4.331 4.340 -0.011 0.000 0.201 261 R C 0.439 176.238 176.300 -0.834 0.000 1.641 261 R CA -0.027 55.739 56.100 -0.557 0.000 1.390 261 R CB -0.697 29.371 30.300 -0.386 0.000 1.341 261 R HN 0.877 nan 8.270 nan 0.000 0.728 262 Y N -0.577 119.469 120.300 -0.423 0.000 2.332 262 Y HA -0.282 4.261 4.550 -0.011 0.000 0.283 262 Y C 1.187 177.150 175.900 0.104 0.000 1.186 262 Y CA 0.989 59.020 58.100 -0.114 0.000 1.266 262 Y CB -0.571 38.044 38.460 0.259 0.000 0.973 262 Y HN 0.320 nan 8.280 nan 0.000 0.548 263 L N 1.242 122.403 121.223 -0.104 0.000 2.447 263 L HA -0.216 4.118 4.340 -0.011 0.000 0.225 263 L C 2.612 179.569 176.870 0.145 0.000 1.148 263 L CA 1.655 56.600 54.840 0.174 0.000 0.808 263 L CB -0.659 41.380 42.059 -0.034 0.000 0.928 263 L HN 0.556 nan 8.230 nan 0.000 0.448 264 Q N -1.535 118.261 119.800 -0.006 0.000 2.389 264 Q HA -0.106 4.227 4.340 -0.011 0.000 0.204 264 Q C 0.673 176.695 176.000 0.037 0.000 0.944 264 Q CA 0.809 56.624 55.803 0.019 0.000 0.908 264 Q CB 0.002 28.725 28.738 -0.026 0.000 1.002 264 Q HN 0.348 nan 8.270 nan 0.000 0.493 265 D N 0.020 120.408 120.400 -0.021 0.000 2.339 265 D HA 0.020 4.653 4.640 -0.011 0.000 0.217 265 D C -0.346 175.714 176.300 -0.400 0.000 1.050 265 D CA 0.332 54.215 54.000 -0.195 0.000 0.856 265 D CB 0.235 40.904 40.800 -0.217 0.000 0.922 265 D HN 0.392 nan 8.370 nan 0.000 0.518 266 Y N -0.491 119.885 120.300 0.126 0.000 2.781 266 Y HA 0.370 4.913 4.550 -0.011 0.000 0.326 266 Y C 1.654 177.605 175.900 0.085 0.000 1.019 266 Y CA -0.502 57.665 58.100 0.112 0.000 1.372 266 Y CB 0.833 39.398 38.460 0.176 0.000 1.260 266 Y HN -0.042 nan 8.280 nan 0.000 0.546 267 G N 0.411 109.296 108.800 0.141 0.000 2.184 267 G HA2 -0.360 3.593 3.960 -0.011 0.000 0.264 267 G HA3 -0.360 3.593 3.960 -0.011 0.000 0.264 267 G C 0.672 175.626 174.900 0.090 0.000 0.975 267 G CA 0.603 45.767 45.100 0.106 0.000 0.642 267 G HN 0.476 nan 8.290 nan 0.000 0.536 268 M N 1.337 121.006 119.600 0.115 0.000 2.549 268 M HA 0.348 4.822 4.480 -0.011 0.000 0.273 268 M C 1.476 177.864 176.300 0.147 0.000 1.213 268 M CA 0.478 55.827 55.300 0.081 0.000 0.976 268 M CB 0.605 33.254 32.600 0.082 0.000 1.457 268 M HN 0.294 nan 8.290 nan 0.000 0.485 269 G N 1.005 109.896 108.800 0.151 0.000 2.543 269 G HA2 0.569 4.522 3.960 -0.011 0.000 0.290 269 G HA3 0.569 4.522 3.960 -0.011 0.000 0.290 269 G C -2.772 172.271 174.900 0.238 0.000 1.310 269 G CA -0.989 44.203 45.100 0.153 0.000 1.025 269 G HN 0.086 nan 8.290 nan 0.000 0.502 270 P HA 0.235 nan 4.420 nan 0.000 0.276 270 P C -0.252 177.062 177.300 0.024 0.000 1.261 270 P CA -0.624 62.505 63.100 0.048 0.000 0.800 270 P CB 0.708 32.411 31.700 0.005 0.000 1.066 271 E N 0.102 120.303 120.200 0.001 0.000 2.413 271 E HA 0.147 4.490 4.350 -0.011 0.000 0.263 271 E C -0.430 176.144 176.600 -0.043 0.000 1.015 271 E CA -0.190 56.195 56.400 -0.025 0.000 0.916 271 E CB 0.281 29.958 29.700 -0.038 0.000 0.947 271 E HN 0.468 nan 8.360 nan 0.000 0.440 272 T N 2.236 116.762 114.554 -0.047 0.000 2.902 272 T HA 0.468 4.811 4.350 -0.011 0.000 0.283 272 T C -2.447 172.219 174.700 -0.057 0.000 1.009 272 T CA -2.043 60.020 62.100 -0.061 0.000 1.051 272 T CB 1.405 70.243 68.868 -0.051 0.000 0.999 272 T HN 0.263 nan 8.240 nan 0.000 0.474 273 P HA 0.140 nan 4.420 nan 0.000 0.268 273 P C 1.367 178.630 177.300 -0.062 0.000 1.205 273 P CA -0.468 62.598 63.100 -0.056 0.000 0.771 273 P CB 0.431 32.104 31.700 -0.045 0.000 0.858 274 L N 1.914 123.078 121.223 -0.098 0.000 2.123 274 L HA -0.295 4.038 4.340 -0.011 0.000 0.217 274 L C 2.212 179.057 176.870 -0.042 0.000 1.081 274 L CA 2.348 57.092 54.840 -0.160 0.000 0.772 274 L CB -1.031 40.877 42.059 -0.251 0.000 0.890 274 L HN 0.642 nan 8.230 nan 0.000 0.437 275 G N -0.342 108.447 108.800 -0.018 0.000 2.524 275 G HA2 -0.189 3.764 3.960 -0.011 0.000 0.215 275 G HA3 -0.189 3.764 3.960 -0.011 0.000 0.215 275 G C 0.238 175.149 174.900 0.019 0.000 1.239 275 G CA 0.185 45.296 45.100 0.017 0.000 0.798 275 G HN 0.421 nan 8.290 nan 0.000 0.557 276 E N 2.190 122.388 120.200 -0.003 0.000 1.993 276 E HA 0.343 4.687 4.350 -0.011 0.000 0.271 276 E C -2.352 174.241 176.600 -0.011 0.000 1.008 276 E CA -1.888 54.508 56.400 -0.007 0.000 0.814 276 E CB 1.590 31.278 29.700 -0.019 0.000 1.098 276 E HN 0.294 nan 8.360 nan 0.000 0.407 277 P HA 0.118 nan 4.420 nan 0.000 0.279 277 P C -0.725 176.580 177.300 0.008 0.000 1.239 277 P CA -0.516 62.588 63.100 0.007 0.000 0.789 277 P CB 1.218 32.928 31.700 0.015 0.000 0.933 278 K N 2.381 122.799 120.400 0.030 0.000 2.324 278 K HA 0.208 4.521 4.320 -0.011 0.000 0.253 278 K C 0.129 176.808 176.600 0.131 0.000 0.932 278 K CA -0.803 55.519 56.287 0.058 0.000 0.799 278 K CB 1.460 33.965 32.500 0.009 0.000 1.154 278 K HN 0.453 nan 8.250 nan 0.000 0.425 279 N N 2.940 121.700 118.700 0.100 0.000 2.441 279 N HA -0.073 4.661 4.740 -0.011 0.000 0.251 279 N C -0.372 175.217 175.510 0.131 0.000 1.242 279 N CA 1.220 54.316 53.050 0.078 0.000 0.898 279 N CB 0.467 38.976 38.487 0.037 0.000 1.100 279 N HN 0.787 nan 8.380 nan 0.000 0.443 280 K N -0.045 120.359 120.400 0.008 0.000 3.615 280 K HA -0.244 4.070 4.320 -0.011 0.000 0.269 280 K C -0.882 175.510 176.600 -0.346 0.000 1.107 280 K CA 1.245 57.434 56.287 -0.163 0.000 1.059 280 K CB -1.051 31.317 32.500 -0.220 0.000 1.317 280 K HN 0.551 nan 8.250 nan 0.000 0.494 281 Y N 0.240 120.537 120.300 -0.005 0.000 2.567 281 Y HA 0.373 4.917 4.550 -0.011 0.000 0.333 281 Y C 1.575 177.466 175.900 -0.015 0.000 1.106 281 Y CA -1.140 56.957 58.100 -0.004 0.000 1.157 281 Y CB 0.668 39.123 38.460 -0.008 0.000 1.277 281 Y HN -0.143 nan 8.280 nan 0.000 0.490 282 M N -0.602 119.085 119.600 0.145 0.000 7.319 282 M HA -0.417 4.056 4.480 -0.011 0.000 0.284 282 M C 1.411 177.716 176.300 0.008 0.000 0.480 282 M CA 1.648 56.977 55.300 0.048 0.000 1.311 282 M CB -1.519 31.093 32.600 0.020 0.000 0.421 282 M HN 0.845 nan 8.290 nan 0.000 0.895 283 E N 0.552 120.740 120.200 -0.020 0.000 2.393 283 E HA -0.031 4.312 4.350 -0.011 0.000 0.201 283 E C 1.430 178.020 176.600 -0.016 0.000 1.025 283 E CA 0.884 57.270 56.400 -0.025 0.000 0.856 283 E CB -0.280 29.406 29.700 -0.023 0.000 0.771 283 E HN 0.445 nan 8.360 nan 0.000 0.526 284 L N -0.287 120.934 121.223 -0.004 0.000 3.017 284 L HA 0.309 4.643 4.340 -0.011 0.000 0.255 284 L C 0.930 177.785 176.870 -0.025 0.000 1.247 284 L CA -0.654 54.174 54.840 -0.019 0.000 1.038 284 L CB 0.319 42.374 42.059 -0.008 0.000 1.380 284 L HN 0.062 nan 8.230 nan 0.000 0.548 285 G N 0.162 108.947 108.800 -0.025 0.000 2.563 285 G HA2 0.334 4.287 3.960 -0.011 0.000 0.283 285 G HA3 0.334 4.287 3.960 -0.011 0.000 0.283 285 G C -2.517 172.357 174.900 -0.042 0.000 1.309 285 G CA -1.050 44.021 45.100 -0.049 0.000 1.022 285 G HN -0.024 nan 8.290 nan 0.000 0.501 286 P HA 0.032 nan 4.420 nan 0.000 0.261 286 P C 1.044 178.328 177.300 -0.026 0.000 1.183 286 P CA -0.187 62.897 63.100 -0.027 0.000 0.761 286 P CB 0.713 32.404 31.700 -0.015 0.000 0.785 287 R N 3.279 123.758 120.500 -0.036 0.000 2.143 287 R HA -0.255 4.078 4.340 -0.011 0.000 0.239 287 R C 1.091 177.359 176.300 -0.053 0.000 1.126 287 R CA 2.336 58.402 56.100 -0.057 0.000 0.927 287 R CB -0.666 29.600 30.300 -0.056 0.000 0.860 287 R HN 0.501 nan 8.270 nan 0.000 0.433 288 D N 0.301 120.673 120.400 -0.047 0.000 2.133 288 D HA -0.180 4.453 4.640 -0.011 0.000 0.195 288 D C 1.925 178.180 176.300 -0.074 0.000 0.997 288 D CA 1.227 55.181 54.000 -0.076 0.000 0.840 288 D CB -0.124 40.636 40.800 -0.066 0.000 0.947 288 D HN 0.202 nan 8.370 nan 0.000 0.452 289 K N 0.504 120.892 120.400 -0.021 0.000 2.057 289 K HA -0.043 4.271 4.320 -0.011 0.000 0.207 289 K C 2.307 178.924 176.600 0.029 0.000 1.049 289 K CA 0.292 56.594 56.287 0.024 0.000 0.931 289 K CB -0.685 31.847 32.500 0.053 0.000 0.714 289 K HN 0.138 nan 8.250 nan 0.000 0.440 290 V N 1.400 121.327 119.914 0.023 0.000 2.427 290 V HA -0.182 3.931 4.120 -0.011 0.000 0.248 290 V C 2.277 178.414 176.094 0.071 0.000 1.051 290 V CA 1.724 64.060 62.300 0.060 0.000 1.048 290 V CB -0.392 31.446 31.823 0.026 0.000 0.666 290 V HN 0.236 nan 8.190 nan 0.000 0.456 291 S N -0.679 115.018 115.700 -0.006 0.000 2.371 291 S HA -0.190 4.273 4.470 -0.011 0.000 0.224 291 S C 1.990 176.572 174.600 -0.030 0.000 1.029 291 S CA 1.212 59.390 58.200 -0.037 0.000 0.978 291 S CB -0.201 62.923 63.200 -0.127 0.000 0.833 291 S HN 0.663 nan 8.310 nan 0.000 0.466 292 Q N 0.905 120.645 119.800 -0.101 0.000 2.172 292 Q HA 0.069 4.402 4.340 -0.011 0.000 0.200 292 Q C 2.455 178.415 176.000 -0.067 0.000 0.964 292 Q CA 1.121 56.843 55.803 -0.134 0.000 0.855 292 Q CB -0.354 28.310 28.738 -0.124 0.000 0.918 292 Q HN 0.566 nan 8.270 nan 0.000 0.444 293 A N 0.814 123.595 122.820 -0.065 0.000 1.948 293 A HA -0.234 4.080 4.320 -0.011 0.000 0.220 293 A C 1.854 179.336 177.584 -0.169 0.000 1.177 293 A CA 1.290 53.142 52.037 -0.309 0.000 0.636 293 A CB -0.853 18.093 19.000 -0.091 0.000 0.815 293 A HN 0.478 nan 8.150 nan 0.000 0.449 294 F N -1.163 118.723 119.950 -0.107 0.000 2.065 294 F HA -0.225 4.296 4.527 -0.011 0.000 0.298 294 F C 2.044 177.855 175.800 0.018 0.000 1.112 294 F CA 2.279 60.224 58.000 -0.090 0.000 1.212 294 F CB -0.553 38.440 39.000 -0.012 0.000 0.975 294 F HN 0.454 nan 8.300 nan 0.000 0.476 295 W N 0.939 122.299 121.300 0.100 0.000 2.318 295 W HA -0.272 4.382 4.660 -0.011 0.000 0.313 295 W C 2.824 179.353 176.519 0.017 0.000 1.221 295 W CA 2.560 59.957 57.345 0.087 0.000 1.266 295 W CB -0.665 28.824 29.460 0.047 0.000 1.150 295 W HN 0.123 nan 8.180 nan 0.000 0.496 296 H N -0.241 119.026 119.070 0.328 0.000 2.353 296 H HA -0.116 4.433 4.556 -0.011 0.000 0.300 296 H C 2.080 177.419 175.328 0.018 0.000 1.090 296 H CA 1.752 57.914 56.048 0.190 0.000 1.327 296 H CB -0.722 29.153 29.762 0.188 0.000 1.383 296 H HN 0.176 nan 8.280 nan 0.000 0.508 297 E N 0.181 120.377 120.200 -0.006 0.000 2.077 297 E HA -0.175 4.168 4.350 -0.011 0.000 0.193 297 E C 2.182 178.639 176.600 -0.239 0.000 0.989 297 E CA 0.506 56.806 56.400 -0.167 0.000 0.800 297 E CB -0.568 28.826 29.700 -0.511 0.000 0.746 297 E HN 0.508 nan 8.360 nan 0.000 0.452 298 W N 2.311 123.313 121.300 -0.497 0.000 2.338 298 W HA -0.196 4.458 4.660 -0.011 0.000 0.304 298 W C 2.083 178.377 176.519 -0.375 0.000 1.212 298 W CA 1.546 58.591 57.345 -0.501 0.000 1.264 298 W CB -0.059 29.047 29.460 -0.589 0.000 1.142 298 W HN -0.077 nan 8.180 nan 0.000 0.512 299 R N 0.624 120.783 120.500 -0.568 0.000 2.081 299 R HA -0.130 4.203 4.340 -0.011 0.000 0.235 299 R C 1.967 177.982 176.300 -0.476 0.000 1.131 299 R CA 1.806 57.508 56.100 -0.664 0.000 0.960 299 R CB -1.043 29.021 30.300 -0.392 0.000 0.856 299 R HN 0.328 nan 8.270 nan 0.000 0.436 300 K N -0.662 119.568 120.400 -0.284 0.000 2.362 300 K HA 0.001 4.314 4.320 -0.011 0.000 0.200 300 K C 0.779 177.234 176.600 -0.243 0.000 1.046 300 K CA 0.763 56.932 56.287 -0.198 0.000 0.952 300 K CB 0.101 32.551 32.500 -0.084 0.000 0.753 300 K HN 0.409 nan 8.250 nan 0.000 0.466 301 G N 1.964 110.553 108.800 -0.350 0.000 2.204 301 G HA2 -0.187 3.767 3.960 -0.011 0.000 0.244 301 G HA3 -0.187 3.767 3.960 -0.011 0.000 0.244 301 G C 0.019 174.805 174.900 -0.189 0.000 1.062 301 G CA -0.010 44.903 45.100 -0.312 0.000 0.798 301 G HN 0.237 nan 8.290 nan 0.000 0.496 302 N N -0.003 118.591 118.700 -0.177 0.000 2.205 302 N HA 0.122 4.855 4.740 -0.011 0.000 0.201 302 N C 1.300 176.749 175.510 -0.102 0.000 1.128 302 N CA 0.916 53.907 53.050 -0.097 0.000 0.867 302 N CB 0.563 39.019 38.487 -0.051 0.000 0.996 302 N HN 0.805 nan 8.380 nan 0.000 0.503 303 T N -1.002 113.460 114.554 -0.153 0.000 2.899 303 T HA 0.525 4.868 4.350 -0.011 0.000 0.284 303 T C 0.366 175.027 174.700 -0.065 0.000 1.004 303 T CA -0.583 61.433 62.100 -0.140 0.000 1.043 303 T CB 1.167 69.940 68.868 -0.158 0.000 1.013 303 T HN -0.148 nan 8.240 nan 0.000 0.518 304 I N 2.214 122.738 120.570 -0.078 0.000 2.352 304 I HA 0.285 4.448 4.170 -0.011 0.000 0.290 304 I C 0.839 176.940 176.117 -0.027 0.000 1.036 304 I CA 0.002 61.269 61.300 -0.055 0.000 1.336 304 I CB 1.123 39.040 38.000 -0.138 0.000 1.407 304 I HN 0.668 nan 8.210 nan 0.000 0.497 305 S N 4.573 120.279 115.700 0.011 0.000 2.499 305 S HA 0.561 5.024 4.470 -0.011 0.000 0.275 305 S C 0.081 174.699 174.600 0.030 0.000 1.257 305 S CA -0.397 57.820 58.200 0.029 0.000 1.050 305 S CB -0.018 63.204 63.200 0.036 0.000 0.937 305 S HN 0.790 nan 8.310 nan 0.000 0.490 306 T N 2.901 117.471 114.554 0.027 0.000 2.901 306 T HA 0.573 4.916 4.350 -0.011 0.000 0.293 306 T C -2.278 172.442 174.700 0.032 0.000 1.084 306 T CA -1.760 60.360 62.100 0.034 0.000 1.008 306 T CB 1.136 70.022 68.868 0.030 0.000 1.170 306 T HN 0.242 nan 8.240 nan 0.000 0.509 307 P HA -0.001 nan 4.420 nan 0.000 0.216 307 P C 1.115 178.433 177.300 0.030 0.000 1.150 307 P CA 0.997 64.118 63.100 0.035 0.000 0.843 307 P CB 0.095 31.818 31.700 0.039 0.000 0.787 308 R N -1.310 119.204 120.500 0.023 0.000 2.310 308 R HA 0.378 4.711 4.340 -0.011 0.000 0.202 308 R C 0.702 176.985 176.300 -0.029 0.000 0.933 308 R CA 0.343 56.447 56.100 0.007 0.000 1.054 308 R CB 0.020 30.324 30.300 0.007 0.000 0.985 308 R HN 0.206 nan 8.270 nan 0.000 0.489 309 G N 0.246 109.039 108.800 -0.012 0.000 2.381 309 G HA2 -0.148 3.805 3.960 -0.011 0.000 0.672 309 G HA3 -0.148 3.805 3.960 -0.011 0.000 0.672 309 G C -1.620 173.281 174.900 0.003 0.000 1.324 309 G CA -1.074 44.011 45.100 -0.025 0.000 0.975 309 G HN 0.039 nan 8.290 nan 0.000 0.593 310 D N 0.082 120.504 120.400 0.037 0.000 2.382 310 D HA 0.472 5.105 4.640 -0.011 0.000 0.245 310 D C 0.931 177.324 176.300 0.156 0.000 1.120 310 D CA 1.118 55.174 54.000 0.093 0.000 0.890 310 D CB 1.805 42.705 40.800 0.167 0.000 1.201 310 D HN 1.217 nan 8.370 nan 0.000 0.433 311 V N -1.040 118.929 119.914 0.090 0.000 3.181 311 V HA 0.780 4.893 4.120 -0.011 0.000 0.307 311 V C -0.441 175.677 176.094 0.040 0.000 1.310 311 V CA -0.904 61.482 62.300 0.144 0.000 1.067 311 V CB 1.725 33.520 31.823 -0.046 0.000 1.081 311 V HN 0.344 nan 8.190 nan 0.000 0.453 312 V N -2.002 117.973 119.914 0.102 0.000 3.074 312 V HA 0.728 4.841 4.120 -0.011 0.000 0.314 312 V C -1.331 174.758 176.094 -0.010 0.000 1.117 312 V CA -0.847 61.490 62.300 0.062 0.000 1.014 312 V CB 1.850 33.859 31.823 0.310 0.000 1.057 312 V HN 0.905 nan 8.190 nan 0.000 0.438 313 Y N 1.711 122.137 120.300 0.210 0.000 2.328 313 Y HA 0.672 5.215 4.550 -0.011 0.000 0.337 313 Y C -0.046 175.933 175.900 0.132 0.000 1.008 313 Y CA -0.956 57.234 58.100 0.150 0.000 1.129 313 Y CB 1.740 40.275 38.460 0.124 0.000 1.185 313 Y HN 0.679 nan 8.280 nan 0.000 0.476 314 L N 4.917 126.325 121.223 0.308 0.000 2.302 314 L HA 0.352 4.685 4.340 -0.011 0.000 0.285 314 L C -0.680 176.284 176.870 0.157 0.000 1.090 314 L CA -0.226 54.728 54.840 0.189 0.000 0.866 314 L CB -0.097 42.047 42.059 0.141 0.000 1.244 314 L HN 0.490 nan 8.230 nan 0.000 0.435 315 D N 3.912 124.402 120.400 0.150 0.000 2.313 315 D HA 0.268 4.901 4.640 -0.011 0.000 0.239 315 D C 0.537 176.908 176.300 0.118 0.000 1.142 315 D CA 0.074 54.153 54.000 0.132 0.000 0.847 315 D CB 0.865 41.755 40.800 0.150 0.000 1.082 315 D HN 0.618 nan 8.370 nan 0.000 0.480 316 L N 3.540 124.765 121.223 0.003 0.000 2.817 316 L HA 0.228 4.561 4.340 -0.011 0.000 0.248 316 L C 2.179 178.893 176.870 -0.260 0.000 1.133 316 L CA -0.371 54.368 54.840 -0.169 0.000 0.935 316 L CB 0.108 42.119 42.059 -0.080 0.000 1.266 316 L HN 0.272 nan 8.230 nan 0.000 0.535 317 R N 0.875 121.325 120.500 -0.083 0.000 2.133 317 R HA -0.231 4.102 4.340 -0.011 0.000 0.245 317 R C 1.865 178.125 176.300 -0.066 0.000 1.137 317 R CA 2.101 58.181 56.100 -0.035 0.000 0.947 317 R CB -1.045 29.281 30.300 0.043 0.000 0.865 317 R HN 0.575 nan 8.270 nan 0.000 0.437 318 H N 0.631 119.705 119.070 0.007 0.000 2.570 318 H HA 0.012 4.561 4.556 -0.011 0.000 0.280 318 H C 1.621 176.954 175.328 0.009 0.000 1.038 318 H CA 0.516 56.567 56.048 0.005 0.000 1.186 318 H CB -0.124 29.639 29.762 0.002 0.000 1.339 318 H HN 0.202 nan 8.280 nan 0.000 0.615 319 L N 0.674 121.722 121.223 -0.291 0.000 2.068 319 L HA 0.129 4.463 4.340 -0.011 0.000 0.204 319 L C 0.964 177.802 176.870 -0.054 0.000 1.076 319 L CA 1.557 56.293 54.840 -0.173 0.000 0.753 319 L CB -0.817 41.137 42.059 -0.174 0.000 0.910 319 L HN 0.656 nan 8.230 nan 0.000 0.439 320 G N 0.002 108.778 108.800 -0.041 0.000 2.907 320 G HA2 -0.156 3.797 3.960 -0.011 0.000 0.686 320 G HA3 -0.156 3.797 3.960 -0.011 0.000 0.686 320 G C 0.498 175.381 174.900 -0.029 0.000 1.115 320 G CA -0.230 44.855 45.100 -0.024 0.000 0.760 320 G HN 0.140 nan 8.290 nan 0.000 0.620 321 E N 1.570 121.724 120.200 -0.076 0.000 2.094 321 E HA -0.272 4.071 4.350 -0.011 0.000 0.232 321 E C 2.507 179.013 176.600 -0.155 0.000 1.055 321 E CA 2.073 58.348 56.400 -0.208 0.000 0.923 321 E CB -0.398 29.156 29.700 -0.243 0.000 0.815 321 E HN 0.623 nan 8.360 nan 0.000 0.502 322 K N 0.873 121.214 120.400 -0.100 0.000 2.044 322 K HA -0.238 4.075 4.320 -0.011 0.000 0.224 322 K C 2.129 178.753 176.600 0.039 0.000 1.056 322 K CA 2.239 58.510 56.287 -0.026 0.000 0.962 322 K CB -0.502 31.992 32.500 -0.011 0.000 0.730 322 K HN 0.103 nan 8.250 nan 0.000 0.453 323 K N 0.276 120.697 120.400 0.036 0.000 2.009 323 K HA -0.124 4.190 4.320 -0.011 0.000 0.210 323 K C 2.124 178.782 176.600 0.095 0.000 1.049 323 K CA 1.608 57.929 56.287 0.056 0.000 0.929 323 K CB -0.264 32.254 32.500 0.029 0.000 0.714 323 K HN 0.050 nan 8.250 nan 0.000 0.440 324 L N 0.195 121.487 121.223 0.116 0.000 1.978 324 L HA -0.274 4.060 4.340 -0.011 0.000 0.218 324 L C 2.441 179.463 176.870 0.253 0.000 1.075 324 L CA 1.703 56.655 54.840 0.187 0.000 0.767 324 L CB -0.626 41.586 42.059 0.255 0.000 0.890 324 L HN 0.394 nan 8.230 nan 0.000 0.434 325 H N -1.495 117.595 119.070 0.034 0.000 2.524 325 H HA -0.112 4.437 4.556 -0.011 0.000 0.282 325 H C 1.949 177.310 175.328 0.056 0.000 1.016 325 H CA 0.929 57.003 56.048 0.043 0.000 1.270 325 H CB -0.016 29.765 29.762 0.032 0.000 1.394 325 H HN 0.430 nan 8.280 nan 0.000 0.568 326 E N 0.297 120.605 120.200 0.180 0.000 2.340 326 E HA 0.013 4.356 4.350 -0.011 0.000 0.194 326 E C 1.171 177.856 176.600 0.142 0.000 0.996 326 E CA 0.234 56.715 56.400 0.136 0.000 0.869 326 E CB 0.407 30.172 29.700 0.109 0.000 0.835 326 E HN 0.273 nan 8.360 nan 0.000 0.493 327 R N -0.908 119.674 120.500 0.137 0.000 2.556 327 R HA 0.326 4.659 4.340 -0.011 0.000 0.276 327 R C 0.471 176.853 176.300 0.137 0.000 0.931 327 R CA 0.025 56.213 56.100 0.147 0.000 1.061 327 R CB 1.004 31.377 30.300 0.120 0.000 1.432 327 R HN 0.009 nan 8.270 nan 0.000 0.547 328 L N 1.539 122.829 121.223 0.111 0.000 3.193 328 L HA 0.319 4.653 4.340 -0.011 0.000 0.305 328 L C -1.834 175.066 176.870 0.049 0.000 1.299 328 L CA -1.005 53.890 54.840 0.091 0.000 0.904 328 L CB 1.275 43.373 42.059 0.064 0.000 1.331 328 L HN -0.066 nan 8.230 nan 0.000 0.588 329 P HA -0.219 nan 4.420 nan 0.000 0.215 329 P C 1.597 178.937 177.300 0.067 0.000 1.157 329 P CA 1.266 64.350 63.100 -0.028 0.000 0.863 329 P CB 0.243 31.946 31.700 0.005 0.000 0.787 330 F N 1.634 121.557 119.950 -0.045 0.000 2.010 330 F HA -0.187 4.333 4.527 -0.011 0.000 0.296 330 F C 2.348 178.136 175.800 -0.019 0.000 1.146 330 F CA 0.932 58.910 58.000 -0.036 0.000 1.181 330 F CB -1.405 37.582 39.000 -0.021 0.000 0.965 330 F HN -0.283 nan 8.300 nan 0.000 0.480 331 I N 0.343 120.902 120.570 -0.018 0.000 2.227 331 I HA -0.424 3.739 4.170 -0.011 0.000 0.250 331 I C 2.704 178.765 176.117 -0.093 0.000 1.087 331 I CA 1.481 62.710 61.300 -0.119 0.000 1.352 331 I CB -1.986 36.000 38.000 -0.023 0.000 1.043 331 I HN 0.296 nan 8.210 nan 0.000 0.425 332 C N 0.118 119.384 119.300 -0.057 0.000 2.462 332 C HA -0.136 4.317 4.460 -0.011 0.000 0.278 332 C C 2.675 177.625 174.990 -0.067 0.000 1.253 332 C CA 0.440 59.419 59.018 -0.066 0.000 1.713 332 C CB -1.084 26.581 27.740 -0.126 0.000 2.049 332 C HN 0.508 nan 8.230 nan 0.000 0.477 333 E N 0.666 120.831 120.200 -0.058 0.000 2.077 333 E HA -0.180 4.164 4.350 -0.011 0.000 0.193 333 E C 2.098 178.650 176.600 -0.080 0.000 0.989 333 E CA 1.042 57.415 56.400 -0.046 0.000 0.800 333 E CB -0.215 29.500 29.700 0.025 0.000 0.746 333 E HN 0.607 nan 8.360 nan 0.000 0.452 334 L N 0.492 121.642 121.223 -0.121 0.000 1.989 334 L HA -0.241 4.092 4.340 -0.011 0.000 0.211 334 L C 2.645 179.524 176.870 0.015 0.000 1.071 334 L CA 1.238 56.047 54.840 -0.052 0.000 0.749 334 L CB -0.587 41.343 42.059 -0.216 0.000 0.890 334 L HN 0.160 nan 8.230 nan 0.000 0.431 335 A N 0.042 122.847 122.820 -0.024 0.000 1.892 335 A HA -0.253 4.061 4.320 -0.011 0.000 0.218 335 A C 2.328 179.908 177.584 -0.007 0.000 1.188 335 A CA 1.987 54.028 52.037 0.006 0.000 0.631 335 A CB -0.454 18.546 19.000 -0.001 0.000 0.822 335 A HN 0.357 nan 8.150 nan 0.000 0.447 336 K N -0.596 119.779 120.400 -0.041 0.000 2.057 336 K HA -0.067 4.246 4.320 -0.011 0.000 0.207 336 K C 2.312 178.852 176.600 -0.099 0.000 1.049 336 K CA 1.221 57.477 56.287 -0.051 0.000 0.931 336 K CB -0.320 32.148 32.500 -0.053 0.000 0.714 336 K HN 0.459 nan 8.250 nan 0.000 0.440 337 A N 0.288 122.987 122.820 -0.201 0.000 1.929 337 A HA -0.092 4.221 4.320 -0.011 0.000 0.216 337 A C 1.594 178.891 177.584 -0.479 0.000 1.176 337 A CA 1.040 52.830 52.037 -0.410 0.000 0.628 337 A CB -0.393 18.204 19.000 -0.671 0.000 0.816 337 A HN 0.319 nan 8.150 nan 0.000 0.444 338 Y N -1.222 119.070 120.300 -0.014 0.000 2.481 338 Y HA 0.174 4.718 4.550 -0.011 0.000 0.258 338 Y C 1.607 177.510 175.900 0.004 0.000 1.103 338 Y CA 0.614 58.710 58.100 -0.006 0.000 1.287 338 Y CB 0.806 39.255 38.460 -0.017 0.000 1.108 338 Y HN 0.197 nan 8.280 nan 0.000 0.529 339 V N -4.578 115.403 119.914 0.112 0.000 3.382 339 V HA 0.540 4.653 4.120 -0.011 0.000 0.296 339 V C 1.059 177.187 176.094 0.056 0.000 1.529 339 V CA -0.057 62.296 62.300 0.089 0.000 1.048 339 V CB 0.193 32.072 31.823 0.094 0.000 0.878 339 V HN 0.228 nan 8.190 nan 0.000 0.442 340 G N 1.021 109.835 108.800 0.024 0.000 2.372 340 G HA2 -0.131 3.822 3.960 -0.011 0.000 0.297 340 G HA3 -0.131 3.822 3.960 -0.011 0.000 0.297 340 G C -0.287 174.626 174.900 0.021 0.000 1.005 340 G CA 0.627 45.733 45.100 0.009 0.000 1.173 340 G HN 1.115 nan 8.290 nan 0.000 0.511 341 V N 0.976 120.901 119.914 0.018 0.000 2.668 341 V HA 0.357 4.470 4.120 -0.011 0.000 0.304 341 V C -0.511 175.591 176.094 0.014 0.000 1.071 341 V CA -1.169 61.145 62.300 0.024 0.000 0.894 341 V CB 2.079 33.930 31.823 0.046 0.000 1.008 341 V HN 0.445 nan 8.190 nan 0.000 0.425 342 D N 6.377 126.784 120.400 0.013 0.000 2.339 342 D HA 0.292 4.925 4.640 -0.011 0.000 0.241 342 D C -1.959 174.353 176.300 0.021 0.000 1.183 342 D CA -1.785 52.226 54.000 0.018 0.000 0.859 342 D CB 2.291 43.105 40.800 0.023 0.000 1.067 342 D HN 0.230 nan 8.370 nan 0.000 0.484 343 P HA -0.051 nan 4.420 nan 0.000 0.261 343 P C 0.728 178.041 177.300 0.021 0.000 1.297 343 P CA 0.412 63.523 63.100 0.019 0.000 0.757 343 P CB 0.406 32.115 31.700 0.015 0.000 1.149 344 V N -1.644 118.289 119.914 0.033 0.000 3.484 344 V HA 0.107 4.220 4.120 -0.011 0.000 0.252 344 V C 2.051 178.155 176.094 0.016 0.000 1.282 344 V CA 0.789 63.107 62.300 0.030 0.000 1.104 344 V CB -0.007 31.848 31.823 0.053 0.000 0.868 344 V HN 0.076 nan 8.190 nan 0.000 0.457 345 K N -0.124 120.284 120.400 0.014 0.000 2.240 345 K HA 0.169 4.482 4.320 -0.011 0.000 0.202 345 K C 0.558 177.154 176.600 -0.007 0.000 1.053 345 K CA 0.566 56.856 56.287 0.005 0.000 0.973 345 K CB 0.633 33.137 32.500 0.007 0.000 0.924 345 K HN 0.295 nan 8.250 nan 0.000 0.477 346 E N 0.632 120.825 120.200 -0.012 0.000 2.355 346 E HA 0.387 4.730 4.350 -0.011 0.000 0.261 346 E C -2.636 173.939 176.600 -0.042 0.000 0.943 346 E CA -2.429 53.947 56.400 -0.040 0.000 0.806 346 E CB 1.597 31.274 29.700 -0.039 0.000 1.286 346 E HN 0.035 nan 8.360 nan 0.000 0.424 347 P HA 0.387 nan 4.420 nan 0.000 0.284 347 P C -0.448 176.878 177.300 0.044 0.000 1.258 347 P CA -0.363 62.690 63.100 -0.078 0.000 0.824 347 P CB 0.709 32.225 31.700 -0.306 0.000 1.038 348 I N 3.636 124.304 120.570 0.165 0.000 2.331 348 I HA 0.284 4.448 4.170 -0.011 0.000 0.292 348 I C -2.033 174.286 176.117 0.337 0.000 0.998 348 I CA -2.572 58.851 61.300 0.204 0.000 1.267 348 I CB 1.530 39.603 38.000 0.121 0.000 1.386 348 I HN 0.128 nan 8.210 nan 0.000 0.476 349 P HA 0.175 nan 4.420 nan 0.000 0.282 349 P C -0.772 176.570 177.300 0.070 0.000 1.262 349 P CA -0.004 63.184 63.100 0.147 0.000 0.773 349 P CB 1.250 33.021 31.700 0.119 0.000 0.879 350 V N 1.478 121.418 119.914 0.045 0.000 3.182 350 V HA 0.921 5.034 4.120 -0.011 0.000 0.308 350 V C -0.702 175.397 176.094 0.007 0.000 1.240 350 V CA -1.321 60.996 62.300 0.029 0.000 1.063 350 V CB 2.385 34.246 31.823 0.063 0.000 1.076 350 V HN 0.785 nan 8.190 nan 0.000 0.446 351 R N -0.520 119.906 120.500 -0.122 0.000 2.687 351 R HA 0.593 4.927 4.340 -0.011 0.000 0.265 351 R C -3.446 172.610 176.300 -0.408 0.000 1.048 351 R CA -1.564 54.263 56.100 -0.455 0.000 0.884 351 R CB 1.082 31.035 30.300 -0.579 0.000 1.258 351 R HN 0.482 nan 8.270 nan 0.000 0.469 352 P HA 0.036 nan 4.420 nan 0.000 0.264 352 P C -0.908 176.378 177.300 -0.024 0.000 1.179 352 P CA 0.401 63.382 63.100 -0.200 0.000 0.763 352 P CB 0.627 32.178 31.700 -0.248 0.000 0.806 353 T N 1.098 115.710 114.554 0.096 0.000 2.916 353 T HA 0.573 4.916 4.350 -0.011 0.000 0.305 353 T C -0.655 173.866 174.700 -0.297 0.000 1.119 353 T CA -0.534 61.557 62.100 -0.015 0.000 1.008 353 T CB 1.616 70.456 68.868 -0.047 0.000 1.129 353 T HN 0.316 nan 8.240 nan 0.000 0.480 354 A N 1.363 123.758 122.820 -0.709 0.000 2.522 354 A HA 0.387 4.700 4.320 -0.011 0.000 0.256 354 A C 0.432 177.779 177.584 -0.394 0.000 1.086 354 A CA 0.547 51.924 52.037 -1.100 0.000 0.763 354 A CB -0.284 18.070 19.000 -1.078 0.000 1.024 354 A HN 1.079 nan 8.150 nan 0.000 0.502 355 H N 1.600 120.436 119.070 -0.390 0.000 2.067 355 H HA 0.298 4.847 4.556 -0.010 0.000 0.220 355 H C -0.864 174.468 175.328 0.007 0.000 0.883 355 H CA 0.755 56.736 56.048 -0.111 0.000 1.042 355 H CB 0.251 30.030 29.762 0.030 0.000 1.305 355 H HN 0.650 nan 8.280 nan 0.000 0.430 356 Y N 1.027 121.187 120.300 -0.233 0.000 2.425 356 Y HA 0.462 5.005 4.550 -0.011 0.000 0.344 356 Y C -0.937 174.865 175.900 -0.164 0.000 0.969 356 Y CA -0.968 56.951 58.100 -0.302 0.000 1.052 356 Y CB 1.946 40.227 38.460 -0.298 0.000 1.215 356 Y HN 0.053 nan 8.280 nan 0.000 0.451 357 T N 7.748 121.802 114.554 -0.832 0.000 2.794 357 T HA 0.133 4.476 4.350 -0.011 0.000 0.304 357 T C 1.013 175.306 174.700 -0.680 0.000 0.973 357 T CA -0.317 61.437 62.100 -0.577 0.000 0.972 357 T CB 0.473 69.104 68.868 -0.395 0.000 0.952 357 T HN 0.756 nan 8.240 nan 0.000 0.509 358 M N 2.357 121.812 119.600 -0.243 0.000 2.099 358 M HA 0.132 4.606 4.480 -0.011 0.000 0.262 358 M C 1.783 178.073 176.300 -0.016 0.000 1.067 358 M CA 0.980 56.266 55.300 -0.023 0.000 1.124 358 M CB -0.462 32.230 32.600 0.153 0.000 1.353 358 M HN 0.687 nan 8.290 nan 0.000 0.410 359 G N -0.931 107.875 108.800 0.011 0.000 2.667 359 G HA2 0.476 4.429 3.960 -0.011 0.000 0.250 359 G HA3 0.476 4.429 3.960 -0.011 0.000 0.250 359 G C -0.041 174.813 174.900 -0.076 0.000 1.212 359 G CA -0.003 45.101 45.100 0.007 0.000 0.874 359 G HN 0.614 nan 8.290 nan 0.000 0.561 360 G N -1.375 107.373 108.800 -0.086 0.000 2.322 360 G HA2 0.366 4.319 3.960 -0.011 0.000 0.295 360 G HA3 0.366 4.319 3.960 -0.011 0.000 0.295 360 G C -0.531 174.291 174.900 -0.131 0.000 1.369 360 G CA -1.056 43.975 45.100 -0.115 0.000 0.821 360 G HN 0.749 nan 8.290 nan 0.000 0.536 361 I N 1.110 121.598 120.570 -0.136 0.000 2.996 361 I HA -0.059 4.104 4.170 -0.011 0.000 0.310 361 I C 1.124 177.142 176.117 -0.165 0.000 1.225 361 I CA 0.626 61.836 61.300 -0.151 0.000 1.442 361 I CB 0.506 38.426 38.000 -0.133 0.000 1.334 361 I HN 0.565 nan 8.210 nan 0.000 0.550 362 E N 6.508 126.592 120.200 -0.193 0.000 2.366 362 E HA 0.121 4.464 4.350 -0.011 0.000 0.266 362 E C -0.439 176.050 176.600 -0.185 0.000 1.015 362 E CA -0.210 56.068 56.400 -0.202 0.000 0.906 362 E CB 0.687 30.252 29.700 -0.225 0.000 0.979 362 E HN 0.683 nan 8.360 nan 0.000 0.443 363 T N 1.327 115.771 114.554 -0.183 0.000 2.903 363 T HA 0.302 4.646 4.350 -0.011 0.000 0.299 363 T C -0.300 174.307 174.700 -0.156 0.000 1.093 363 T CA -1.050 60.951 62.100 -0.166 0.000 1.002 363 T CB 1.537 70.319 68.868 -0.144 0.000 1.127 363 T HN 0.482 nan 8.240 nan 0.000 0.488 364 D N 1.164 121.485 120.400 -0.132 0.000 2.425 364 D HA 0.159 4.793 4.640 -0.011 0.000 0.274 364 D C 1.044 177.288 176.300 -0.093 0.000 1.242 364 D CA -0.444 53.493 54.000 -0.105 0.000 1.060 364 D CB 0.122 40.868 40.800 -0.090 0.000 1.112 364 D HN 0.547 nan 8.370 nan 0.000 0.561 365 Q N -1.403 118.352 119.800 -0.075 0.000 2.541 365 Q HA 0.065 4.398 4.340 -0.011 0.000 0.215 365 Q C 0.354 176.308 176.000 -0.077 0.000 0.977 365 Q CA 0.915 56.673 55.803 -0.076 0.000 0.934 365 Q CB -0.418 28.275 28.738 -0.075 0.000 0.988 365 Q HN 0.445 nan 8.270 nan 0.000 0.521 366 N N -1.740 116.941 118.700 -0.033 0.000 2.235 366 N HA 0.167 4.900 4.740 -0.011 0.000 0.231 366 N C -0.706 174.897 175.510 0.155 0.000 1.177 366 N CA 0.001 53.070 53.050 0.032 0.000 0.874 366 N CB 0.843 39.366 38.487 0.060 0.000 1.097 366 N HN 0.104 nan 8.380 nan 0.000 0.518 367 C N 0.524 119.873 119.300 0.083 0.000 4.593 367 C HA -0.183 4.270 4.460 -0.011 0.000 0.263 367 C C 0.689 175.741 174.990 0.103 0.000 1.378 367 C CA 0.199 59.286 59.018 0.114 0.000 1.666 367 C CB -2.513 25.356 27.740 0.215 0.000 1.603 367 C HN 0.578 nan 8.230 nan 0.000 0.704 368 E N 1.323 121.471 120.200 -0.087 0.000 2.301 368 E HA 0.459 4.803 4.350 -0.011 0.000 0.275 368 E C 0.948 177.323 176.600 -0.375 0.000 1.030 368 E CA 0.537 56.586 56.400 -0.585 0.000 0.852 368 E CB 1.079 30.370 29.700 -0.680 0.000 1.060 368 E HN 0.590 nan 8.360 nan 0.000 0.401 369 T N 1.144 115.449 114.554 -0.414 0.000 2.867 369 T HA 0.272 4.615 4.350 -0.011 0.000 0.286 369 T C 1.133 175.689 174.700 -0.240 0.000 1.022 369 T CA -0.472 61.466 62.100 -0.269 0.000 0.933 369 T CB 0.791 69.519 68.868 -0.233 0.000 1.280 369 T HN 0.525 nan 8.240 nan 0.000 0.566 370 R N -0.627 119.772 120.500 -0.169 0.000 2.189 370 R HA 0.201 4.534 4.340 -0.011 0.000 0.223 370 R C 0.404 176.628 176.300 -0.127 0.000 1.092 370 R CA 0.578 56.606 56.100 -0.119 0.000 0.989 370 R CB -0.418 29.846 30.300 -0.060 0.000 0.876 370 R HN 0.579 nan 8.270 nan 0.000 0.457 371 I N 2.199 122.672 120.570 -0.163 0.000 2.352 371 I HA 0.045 4.208 4.170 -0.011 0.000 0.290 371 I C 0.228 176.176 176.117 -0.281 0.000 1.036 371 I CA -0.620 60.576 61.300 -0.175 0.000 1.336 371 I CB 1.048 38.953 38.000 -0.160 0.000 1.407 371 I HN -0.203 nan 8.210 nan 0.000 0.497 372 K N 4.641 124.878 120.400 -0.272 0.000 2.472 372 K HA 0.219 4.532 4.320 -0.011 0.000 0.280 372 K C 0.917 177.100 176.600 -0.695 0.000 1.028 372 K CA 1.291 57.355 56.287 -0.371 0.000 1.045 372 K CB 0.210 32.608 32.500 -0.171 0.000 0.902 372 K HN 0.824 nan 8.250 nan 0.000 0.478 373 G N 2.735 111.207 108.800 -0.547 0.000 2.258 373 G HA2 -0.270 3.683 3.960 -0.011 0.000 0.233 373 G HA3 -0.270 3.683 3.960 -0.011 0.000 0.233 373 G C -0.484 174.289 174.900 -0.212 0.000 1.006 373 G CA 0.103 44.987 45.100 -0.360 0.000 0.620 373 G HN 0.572 nan 8.290 nan 0.000 0.511 374 L N 1.894 122.872 121.223 -0.408 0.000 2.265 374 L HA 0.812 5.145 4.340 -0.011 0.000 0.288 374 L C -0.471 176.130 176.870 -0.448 0.000 1.058 374 L CA -1.024 53.655 54.840 -0.269 0.000 0.809 374 L CB 0.070 41.981 42.059 -0.247 0.000 1.179 374 L HN 0.061 nan 8.230 nan 0.000 0.429 375 F N 3.724 123.608 119.950 -0.110 0.000 2.575 375 F HA 0.872 5.389 4.527 -0.016 0.000 0.330 375 F C 0.228 175.975 175.800 -0.089 0.000 1.056 375 F CA -0.466 57.479 58.000 -0.092 0.000 0.964 375 F CB 1.868 40.826 39.000 -0.070 0.000 1.258 375 F HN 0.565 nan 8.300 nan 0.000 0.484 376 A N 1.145 124.034 122.820 0.115 0.000 2.459 376 A HA 0.750 5.063 4.320 -0.011 0.000 0.296 376 A C -1.901 175.701 177.584 0.029 0.000 1.039 376 A CA -0.715 51.337 52.037 0.026 0.000 0.698 376 A CB 1.645 20.614 19.000 -0.052 0.000 1.261 376 A HN 0.773 nan 8.150 nan 0.000 0.405 377 V N 1.744 121.674 119.914 0.027 0.000 3.114 377 V HA 0.926 5.040 4.120 -0.011 0.000 0.308 377 V C 0.405 176.520 176.094 0.036 0.000 1.168 377 V CA 1.141 63.466 62.300 0.041 0.000 1.015 377 V CB 1.832 33.712 31.823 0.094 0.000 1.050 377 V HN 2.939 nan 8.190 nan 0.000 0.433 378 G N 3.590 112.425 108.800 0.059 0.000 2.548 378 G HA2 -0.180 3.774 3.960 -0.011 0.000 0.208 378 G HA3 -0.180 3.774 3.960 -0.011 0.000 0.208 378 G C 0.371 175.302 174.900 0.051 0.000 1.308 378 G CA 0.496 45.641 45.100 0.076 0.000 0.924 378 G HN 1.254 nan 8.290 nan 0.000 0.540 379 E N -0.601 119.627 120.200 0.047 0.000 2.418 379 E HA -0.046 4.298 4.350 -0.011 0.000 0.197 379 E C 2.433 178.961 176.600 -0.121 0.000 1.026 379 E CA 1.706 58.085 56.400 -0.036 0.000 0.862 379 E CB -0.400 29.264 29.700 -0.060 0.000 0.799 379 E HN 0.884 nan 8.360 nan 0.000 0.518 380 C N -0.019 119.230 119.300 -0.084 0.000 2.539 380 C HA 0.200 4.653 4.460 -0.011 0.000 0.268 380 C C 1.695 176.621 174.990 -0.106 0.000 1.395 380 C CA -0.085 58.869 59.018 -0.107 0.000 1.757 380 C CB -1.112 26.569 27.740 -0.097 0.000 1.851 380 C HN 0.295 nan 8.230 nan 0.000 0.545 381 S N 0.554 116.200 115.700 -0.090 0.000 2.647 381 S HA 0.597 5.060 4.470 -0.011 0.000 0.284 381 S C 0.038 174.567 174.600 -0.119 0.000 1.134 381 S CA 0.257 58.394 58.200 -0.106 0.000 1.027 381 S CB 0.952 64.092 63.200 -0.101 0.000 1.180 381 S HN 0.748 nan 8.310 nan 0.000 0.521 382 S N 0.023 115.630 115.700 -0.154 0.000 2.708 382 S HA 0.186 4.649 4.470 -0.011 0.000 0.141 382 S C 0.411 174.865 174.600 -0.244 0.000 1.349 382 S CA -0.148 57.948 58.200 -0.173 0.000 1.206 382 S CB -0.492 62.612 63.200 -0.160 0.000 1.603 382 S HN 1.251 nan 8.310 nan 0.000 0.415 383 V N 0.760 120.479 119.914 -0.324 0.000 2.867 383 V HA 0.288 4.401 4.120 -0.011 0.000 0.260 383 V C 1.610 177.499 176.094 -0.342 0.000 1.099 383 V CA 1.321 63.379 62.300 -0.403 0.000 1.122 383 V CB -1.494 29.866 31.823 -0.771 0.000 0.708 383 V HN 1.604 nan 8.190 nan 0.000 0.490 384 G N 0.147 108.754 108.800 -0.322 0.000 2.207 384 G HA2 -0.192 3.762 3.960 -0.011 0.000 0.216 384 G HA3 -0.192 3.762 3.960 -0.011 0.000 0.216 384 G C 0.049 174.784 174.900 -0.276 0.000 1.053 384 G CA 0.294 45.249 45.100 -0.241 0.000 0.764 384 G HN 0.696 nan 8.290 nan 0.000 0.495 385 L N -0.990 119.949 121.223 -0.473 0.000 2.357 385 L HA 0.426 4.759 4.340 -0.011 0.000 0.211 385 L C 2.051 178.520 176.870 -0.668 0.000 1.075 385 L CA 1.558 56.004 54.840 -0.657 0.000 0.830 385 L CB -0.105 41.325 42.059 -1.050 0.000 0.996 385 L HN 0.329 nan 8.230 nan 0.000 0.467 386 H N -0.416 118.541 119.070 -0.189 0.000 2.562 386 H HA 0.404 4.954 4.556 -0.012 0.000 0.267 386 H C 1.447 176.678 175.328 -0.162 0.000 0.959 386 H CA 0.447 56.408 56.048 -0.145 0.000 1.204 386 H CB -0.079 29.650 29.762 -0.055 0.000 1.430 386 H HN 0.387 nan 8.280 nan 0.000 0.545 387 G N 1.110 109.851 108.800 -0.099 0.000 2.574 387 G HA2 -0.365 3.588 3.960 -0.011 0.000 0.286 387 G HA3 -0.365 3.588 3.960 -0.011 0.000 0.286 387 G C 1.114 175.775 174.900 -0.399 0.000 1.212 387 G CA 1.093 46.077 45.100 -0.193 0.000 0.979 387 G HN 0.567 nan 8.290 nan 0.000 0.557 388 A N -0.094 122.389 122.820 -0.562 0.000 2.251 388 A HA 0.509 4.822 4.320 -0.011 0.000 0.209 388 A C 0.833 178.258 177.584 -0.265 0.000 1.187 388 A CA 1.364 52.819 52.037 -0.970 0.000 0.823 388 A CB -0.167 18.368 19.000 -0.775 0.000 0.846 388 A HN 1.007 nan 8.150 nan 0.000 0.486 389 N N -0.418 118.212 118.700 -0.117 0.000 2.777 389 N HA 0.111 4.844 4.740 -0.011 0.000 0.260 389 N C -1.144 174.377 175.510 0.018 0.000 1.113 389 N CA -0.369 52.684 53.050 0.006 0.000 0.996 389 N CB 1.272 39.767 38.487 0.013 0.000 1.584 389 N HN 0.435 nan 8.380 nan 0.000 0.573 390 R N 1.897 122.416 120.500 0.032 0.000 2.643 390 R HA 0.271 4.604 4.340 -0.011 0.000 0.270 390 R C -0.434 175.853 176.300 -0.021 0.000 1.061 390 R CA -0.308 55.767 56.100 -0.041 0.000 1.107 390 R CB 0.566 30.643 30.300 -0.372 0.000 0.999 390 R HN 0.407 nan 8.270 nan 0.000 0.460 391 L N 3.188 124.434 121.223 0.038 0.000 2.326 391 L HA 0.340 4.673 4.340 -0.011 0.000 0.278 391 L C 0.243 177.148 176.870 0.058 0.000 1.092 391 L CA 0.379 55.259 54.840 0.068 0.000 0.810 391 L CB 1.356 43.494 42.059 0.132 0.000 1.153 391 L HN 0.809 nan 8.230 nan 0.000 0.439 392 G N 2.851 111.704 108.800 0.088 0.000 2.265 392 G HA2 0.326 4.279 3.960 -0.011 0.000 0.240 392 G HA3 0.326 4.279 3.960 -0.011 0.000 0.240 392 G C 0.676 175.649 174.900 0.122 0.000 1.270 392 G CA 0.470 45.645 45.100 0.124 0.000 0.901 392 G HN 1.736 nan 8.290 nan 0.000 0.507 393 S N 0.492 116.218 115.700 0.043 0.000 3.228 393 S HA -0.256 4.207 4.470 -0.011 0.000 0.282 393 S C 1.123 175.792 174.600 0.116 0.000 1.286 393 S CA 1.177 59.385 58.200 0.014 0.000 1.066 393 S CB -1.807 61.366 63.200 -0.045 0.000 1.277 393 S HN 0.671 nan 8.310 nan 0.000 0.661 394 N N 1.076 119.864 118.700 0.146 0.000 2.388 394 N HA 0.248 4.981 4.740 -0.011 0.000 0.176 394 N C 1.605 177.266 175.510 0.251 0.000 1.062 394 N CA 1.034 54.275 53.050 0.320 0.000 0.895 394 N CB 0.113 38.803 38.487 0.338 0.000 1.018 394 N HN 0.604 nan 8.380 nan 0.000 0.456 395 S N 0.113 115.819 115.700 0.011 0.000 2.345 395 S HA 0.045 4.508 4.470 -0.011 0.000 0.220 395 S C 1.856 176.535 174.600 0.131 0.000 1.031 395 S CA 0.752 58.936 58.200 -0.027 0.000 0.996 395 S CB -0.275 62.746 63.200 -0.299 0.000 0.882 395 S HN 0.247 nan 8.310 nan 0.000 0.445 396 L N 1.270 122.563 121.223 0.118 0.000 2.046 396 L HA -0.084 4.249 4.340 -0.011 0.000 0.208 396 L C 3.031 180.021 176.870 0.201 0.000 1.077 396 L CA 1.278 56.211 54.840 0.155 0.000 0.747 396 L CB -0.786 41.359 42.059 0.143 0.000 0.896 396 L HN 0.452 nan 8.230 nan 0.000 0.432 397 A N 0.033 122.992 122.820 0.231 0.000 1.908 397 A HA -0.306 4.008 4.320 -0.011 0.000 0.218 397 A C 2.255 180.092 177.584 0.422 0.000 1.181 397 A CA 2.105 54.297 52.037 0.257 0.000 0.627 397 A CB -0.643 18.535 19.000 0.298 0.000 0.818 397 A HN 0.546 nan 8.150 nan 0.000 0.445 398 E N 0.114 120.633 120.200 0.532 0.000 2.058 398 E HA -0.212 4.131 4.350 -0.011 0.000 0.194 398 E C 1.912 178.766 176.600 0.425 0.000 0.997 398 E CA 1.402 58.131 56.400 0.549 0.000 0.801 398 E CB -0.343 29.553 29.700 0.327 0.000 0.746 398 E HN 0.634 nan 8.360 nan 0.000 0.450 399 L N 0.785 122.183 121.223 0.291 0.000 1.978 399 L HA -0.230 4.103 4.340 -0.011 0.000 0.218 399 L C 2.856 179.850 176.870 0.207 0.000 1.075 399 L CA 1.899 56.875 54.840 0.226 0.000 0.767 399 L CB -1.000 41.167 42.059 0.180 0.000 0.890 399 L HN 0.286 nan 8.230 nan 0.000 0.434 400 V N -4.233 115.789 119.914 0.181 0.000 2.719 400 V HA -0.065 4.048 4.120 -0.011 0.000 0.252 400 V C 2.220 178.360 176.094 0.077 0.000 1.065 400 V CA 0.885 63.265 62.300 0.132 0.000 1.086 400 V CB -0.217 31.674 31.823 0.114 0.000 0.700 400 V HN 0.183 nan 8.190 nan 0.000 0.467 401 V N 0.061 120.017 119.914 0.071 0.000 2.283 401 V HA -0.077 4.037 4.120 -0.011 0.000 0.243 401 V C 2.318 178.296 176.094 -0.194 0.000 1.039 401 V CA 2.391 64.628 62.300 -0.106 0.000 1.016 401 V CB -0.741 30.994 31.823 -0.148 0.000 0.650 401 V HN 0.528 nan 8.190 nan 0.000 0.449 402 F N 0.705 120.761 119.950 0.178 0.000 2.743 402 F HA 0.228 4.748 4.527 -0.012 0.000 0.297 402 F C 2.189 178.036 175.800 0.078 0.000 1.131 402 F CA 0.759 58.838 58.000 0.132 0.000 1.426 402 F CB -0.665 38.397 39.000 0.104 0.000 1.116 402 F HN 0.172 nan 8.300 nan 0.000 0.583 403 G N 0.074 108.998 108.800 0.207 0.000 2.394 403 G HA2 -0.187 3.766 3.960 -0.011 0.000 0.215 403 G HA3 -0.187 3.766 3.960 -0.011 0.000 0.215 403 G C 1.848 176.790 174.900 0.071 0.000 1.165 403 G CA 0.265 45.442 45.100 0.129 0.000 0.784 403 G HN 0.171 nan 8.290 nan 0.000 0.535 404 R N -0.343 120.195 120.500 0.062 0.000 2.080 404 R HA -0.057 4.276 4.340 -0.011 0.000 0.236 404 R C 2.503 178.807 176.300 0.007 0.000 1.137 404 R CA 1.524 57.643 56.100 0.032 0.000 0.943 404 R CB -0.580 29.737 30.300 0.029 0.000 0.846 404 R HN 0.330 nan 8.270 nan 0.000 0.431 405 L N 1.023 122.258 121.223 0.020 0.000 1.971 405 L HA -0.196 4.137 4.340 -0.011 0.000 0.215 405 L C 2.461 179.313 176.870 -0.030 0.000 1.072 405 L CA 2.437 57.282 54.840 0.008 0.000 0.758 405 L CB -0.980 41.104 42.059 0.041 0.000 0.889 405 L HN 0.310 nan 8.230 nan 0.000 0.433 406 A N -0.740 122.082 122.820 0.004 0.000 1.927 406 A HA -0.214 4.099 4.320 -0.011 0.000 0.220 406 A C 2.344 179.777 177.584 -0.252 0.000 1.185 406 A CA 2.074 54.050 52.037 -0.101 0.000 0.639 406 A CB -1.701 17.293 19.000 -0.010 0.000 0.820 406 A HN 0.597 nan 8.150 nan 0.000 0.451 407 G N -0.854 107.858 108.800 -0.146 0.000 2.421 407 G HA2 -0.206 3.747 3.960 -0.011 0.000 0.216 407 G HA3 -0.206 3.747 3.960 -0.011 0.000 0.216 407 G C 1.451 176.245 174.900 -0.177 0.000 1.171 407 G CA 1.096 46.100 45.100 -0.161 0.000 0.775 407 G HN 0.646 nan 8.290 nan 0.000 0.543 408 E N -0.092 120.032 120.200 -0.127 0.000 2.031 408 E HA -0.123 4.220 4.350 -0.011 0.000 0.193 408 E C 2.820 179.337 176.600 -0.140 0.000 0.994 408 E CA 1.054 57.392 56.400 -0.103 0.000 0.800 408 E CB -0.071 29.597 29.700 -0.054 0.000 0.752 408 E HN 0.221 nan 8.360 nan 0.000 0.447 409 Q N 0.042 119.737 119.800 -0.175 0.000 2.112 409 Q HA -0.175 4.158 4.340 -0.011 0.000 0.206 409 Q C 2.183 177.985 176.000 -0.330 0.000 0.987 409 Q CA 1.571 57.269 55.803 -0.175 0.000 0.858 409 Q CB -0.474 28.205 28.738 -0.099 0.000 0.905 409 Q HN 0.295 nan 8.270 nan 0.000 0.420 410 A N 0.179 122.586 122.820 -0.688 0.000 1.930 410 A HA -0.139 4.174 4.320 -0.011 0.000 0.217 410 A C 2.362 179.802 177.584 -0.241 0.000 1.175 410 A CA 1.832 53.435 52.037 -0.722 0.000 0.627 410 A CB -0.736 17.809 19.000 -0.759 0.000 0.815 410 A HN 0.368 nan 8.150 nan 0.000 0.443 411 T N -0.069 114.373 114.554 -0.186 0.000 2.674 411 T HA -0.156 4.187 4.350 -0.011 0.000 0.265 411 T C 1.816 176.491 174.700 -0.041 0.000 1.039 411 T CA 1.800 63.846 62.100 -0.091 0.000 1.150 411 T CB -0.252 68.566 68.868 -0.084 0.000 0.864 411 T HN 0.659 nan 8.240 nan 0.000 0.427 412 E N 0.354 120.534 120.200 -0.034 0.000 2.058 412 E HA -0.158 4.185 4.350 -0.011 0.000 0.194 412 E C 2.444 179.070 176.600 0.043 0.000 0.997 412 E CA 0.895 57.300 56.400 0.007 0.000 0.801 412 E CB -0.130 29.578 29.700 0.013 0.000 0.746 412 E HN 0.048 nan 8.360 nan 0.000 0.450 413 R N 0.889 121.435 120.500 0.076 0.000 2.200 413 R HA -0.097 4.236 4.340 -0.011 0.000 0.234 413 R C 1.579 177.969 176.300 0.149 0.000 1.127 413 R CA 1.473 57.667 56.100 0.157 0.000 0.989 413 R CB -0.403 30.093 30.300 0.326 0.000 0.869 413 R HN 0.173 nan 8.270 nan 0.000 0.459 414 A N -1.135 121.740 122.820 0.092 0.000 2.147 414 A HA 0.365 4.678 4.320 -0.011 0.000 0.211 414 A C 2.013 179.629 177.584 0.052 0.000 1.160 414 A CA 0.657 52.746 52.037 0.087 0.000 0.781 414 A CB -0.185 18.848 19.000 0.054 0.000 0.842 414 A HN 0.342 nan 8.150 nan 0.000 0.475 415 A N -0.115 122.728 122.820 0.038 0.000 2.021 415 A HA 0.077 4.390 4.320 -0.011 0.000 0.216 415 A C 1.949 179.547 177.584 0.023 0.000 1.163 415 A CA 1.843 53.894 52.037 0.023 0.000 0.676 415 A CB -0.621 18.388 19.000 0.015 0.000 0.818 415 A HN 0.686 nan 8.150 nan 0.000 0.453 416 T N -4.187 110.388 114.554 0.035 0.000 3.215 416 T HA 0.574 4.917 4.350 -0.011 0.000 0.271 416 T C 1.138 175.856 174.700 0.030 0.000 1.012 416 T CA 0.594 62.711 62.100 0.029 0.000 0.899 416 T CB 0.483 69.372 68.868 0.035 0.000 1.089 416 T HN 0.335 nan 8.240 nan 0.000 0.552 417 A N 1.204 124.041 122.820 0.028 0.000 2.016 417 A HA 0.614 4.928 4.320 -0.011 0.000 0.217 417 A C 1.710 179.228 177.584 -0.110 0.000 1.162 417 A CA 0.514 52.545 52.037 -0.010 0.000 0.662 417 A CB -1.123 17.894 19.000 0.029 0.000 0.812 417 A HN 1.474 nan 8.150 nan 0.000 0.450 418 G N -0.589 108.171 108.800 -0.067 0.000 2.804 418 G HA2 -0.204 3.750 3.960 -0.011 0.000 0.230 418 G HA3 -0.204 3.750 3.960 -0.011 0.000 0.230 418 G C -0.448 174.387 174.900 -0.108 0.000 1.386 418 G CA -0.096 44.958 45.100 -0.076 0.000 0.875 418 G HN 0.582 nan 8.290 nan 0.000 0.557 419 N N -0.111 118.537 118.700 -0.087 0.000 2.485 419 N HA 0.704 5.437 4.740 -0.011 0.000 0.280 419 N C 0.516 175.969 175.510 -0.094 0.000 1.205 419 N CA 0.291 53.291 53.050 -0.083 0.000 0.959 419 N CB 1.696 40.154 38.487 -0.049 0.000 1.206 419 N HN 1.114 nan 8.380 nan 0.000 0.545 420 G N -0.482 108.274 108.800 -0.074 0.000 2.730 420 G HA2 0.108 4.062 3.960 -0.011 0.000 0.289 420 G HA3 0.108 4.062 3.960 -0.011 0.000 0.289 420 G C -0.667 174.215 174.900 -0.031 0.000 1.341 420 G CA -0.493 44.572 45.100 -0.058 0.000 0.932 420 G HN 0.482 nan 8.290 nan 0.000 0.481 421 N N 0.359 119.047 118.700 -0.020 0.000 2.400 421 N HA -0.027 4.706 4.740 -0.011 0.000 0.278 421 N C 1.182 176.688 175.510 -0.006 0.000 1.247 421 N CA -0.062 52.982 53.050 -0.011 0.000 0.970 421 N CB 1.291 39.775 38.487 -0.005 0.000 1.312 421 N HN 0.619 nan 8.380 nan 0.000 0.488 422 E N 4.229 124.424 120.200 -0.008 0.000 2.086 422 E HA -0.220 4.123 4.350 -0.011 0.000 0.200 422 E C 1.566 178.166 176.600 -0.000 0.000 1.012 422 E CA 2.120 58.517 56.400 -0.005 0.000 0.812 422 E CB -0.242 29.454 29.700 -0.006 0.000 0.743 422 E HN 0.670 nan 8.360 nan 0.000 0.453 423 A N 0.372 123.191 122.820 -0.000 0.000 1.978 423 A HA -0.061 4.253 4.320 -0.011 0.000 0.220 423 A C 2.383 179.970 177.584 0.006 0.000 1.170 423 A CA 2.218 54.256 52.037 0.002 0.000 0.636 423 A CB -0.913 18.087 19.000 0.001 0.000 0.810 423 A HN 0.416 nan 8.150 nan 0.000 0.448 424 A N 0.088 122.912 122.820 0.006 0.000 1.840 424 A HA 0.003 4.316 4.320 -0.011 0.000 0.214 424 A C 2.084 179.678 177.584 0.016 0.000 1.198 424 A CA 1.322 53.366 52.037 0.012 0.000 0.608 424 A CB -0.654 18.352 19.000 0.012 0.000 0.839 424 A HN 0.449 nan 8.150 nan 0.000 0.443 425 I N -0.361 120.217 120.570 0.013 0.000 2.151 425 I HA -0.301 3.862 4.170 -0.011 0.000 0.243 425 I C 2.560 178.687 176.117 0.017 0.000 1.080 425 I CA 2.029 63.339 61.300 0.016 0.000 1.339 425 I CB -0.341 37.665 38.000 0.011 0.000 1.039 425 I HN 0.422 nan 8.210 nan 0.000 0.409 426 E N 1.245 121.452 120.200 0.012 0.000 2.153 426 E HA -0.182 4.161 4.350 -0.011 0.000 0.194 426 E C 2.085 178.694 176.600 0.016 0.000 0.988 426 E CA 1.474 57.882 56.400 0.013 0.000 0.811 426 E CB -0.139 29.565 29.700 0.007 0.000 0.746 426 E HN 0.443 nan 8.360 nan 0.000 0.466 427 A N 0.368 123.197 122.820 0.016 0.000 1.969 427 A HA -0.183 4.130 4.320 -0.011 0.000 0.218 427 A C 2.088 179.687 177.584 0.024 0.000 1.169 427 A CA 1.306 53.353 52.037 0.017 0.000 0.635 427 A CB -0.411 18.598 19.000 0.015 0.000 0.810 427 A HN 0.236 nan 8.150 nan 0.000 0.445 428 Q N -0.486 119.332 119.800 0.030 0.000 2.050 428 Q HA -0.156 4.177 4.340 -0.011 0.000 0.202 428 Q C 2.503 178.529 176.000 0.043 0.000 0.980 428 Q CA 1.612 57.441 55.803 0.043 0.000 0.840 428 Q CB -0.587 28.181 28.738 0.050 0.000 0.898 428 Q HN 0.656 nan 8.270 nan 0.000 0.424 429 A N 1.191 124.032 122.820 0.035 0.000 1.940 429 A HA -0.133 4.180 4.320 -0.011 0.000 0.219 429 A C 2.332 179.935 177.584 0.032 0.000 1.176 429 A CA 1.905 53.963 52.037 0.035 0.000 0.631 429 A CB -0.647 18.371 19.000 0.030 0.000 0.814 429 A HN 0.389 nan 8.150 nan 0.000 0.446 430 A N -0.532 122.303 122.820 0.025 0.000 1.933 430 A HA 0.132 4.446 4.320 -0.011 0.000 0.218 430 A C 2.390 179.987 177.584 0.022 0.000 1.175 430 A CA 1.893 53.942 52.037 0.020 0.000 0.628 430 A CB -1.317 17.692 19.000 0.016 0.000 0.814 430 A HN 0.710 nan 8.150 nan 0.000 0.444 431 G N -0.431 108.385 108.800 0.026 0.000 2.421 431 G HA2 -0.123 3.831 3.960 -0.011 0.000 0.216 431 G HA3 -0.123 3.831 3.960 -0.011 0.000 0.216 431 G C 1.521 176.439 174.900 0.030 0.000 1.171 431 G CA 1.239 46.354 45.100 0.026 0.000 0.775 431 G HN 0.308 nan 8.290 nan 0.000 0.543 432 V N 0.732 120.671 119.914 0.042 0.000 2.287 432 V HA -0.228 3.885 4.120 -0.011 0.000 0.248 432 V C 2.596 178.712 176.094 0.036 0.000 1.053 432 V CA 2.421 64.750 62.300 0.049 0.000 1.027 432 V CB -0.483 31.376 31.823 0.060 0.000 0.646 432 V HN 0.574 nan 8.190 nan 0.000 0.447 433 E N -0.275 119.943 120.200 0.030 0.000 2.051 433 E HA -0.323 4.020 4.350 -0.011 0.000 0.192 433 E C 2.277 178.883 176.600 0.011 0.000 0.991 433 E CA 1.658 58.070 56.400 0.020 0.000 0.799 433 E CB -0.101 29.611 29.700 0.019 0.000 0.748 433 E HN 0.584 nan 8.360 nan 0.000 0.449 434 Q N 0.920 120.727 119.800 0.011 0.000 2.096 434 Q HA -0.169 4.164 4.340 -0.011 0.000 0.204 434 Q C 2.062 178.064 176.000 0.003 0.000 0.982 434 Q CA 1.774 57.580 55.803 0.005 0.000 0.850 434 Q CB -0.126 28.616 28.738 0.006 0.000 0.901 434 Q HN 0.142 nan 8.270 nan 0.000 0.422 435 R N -0.688 119.818 120.500 0.009 0.000 2.081 435 R HA -0.144 4.190 4.340 -0.011 0.000 0.235 435 R C 2.239 178.541 176.300 0.003 0.000 1.131 435 R CA 1.387 57.493 56.100 0.009 0.000 0.960 435 R CB -0.518 29.793 30.300 0.018 0.000 0.856 435 R HN 0.356 nan 8.270 nan 0.000 0.436 436 L N 1.603 122.828 121.223 0.003 0.000 2.042 436 L HA -0.212 4.121 4.340 -0.011 0.000 0.210 436 L C 1.735 178.588 176.870 -0.028 0.000 1.076 436 L CA 1.888 56.721 54.840 -0.012 0.000 0.749 436 L CB -0.248 41.806 42.059 -0.009 0.000 0.893 436 L HN 0.017 nan 8.230 nan 0.000 0.432 437 K N -0.571 119.817 120.400 -0.021 0.000 2.057 437 K HA -0.165 4.148 4.320 -0.011 0.000 0.207 437 K C 1.787 178.369 176.600 -0.030 0.000 1.049 437 K CA 1.515 57.786 56.287 -0.027 0.000 0.931 437 K CB -0.345 32.145 32.500 -0.018 0.000 0.714 437 K HN 0.395 nan 8.250 nan 0.000 0.440 438 D N 1.197 121.585 120.400 -0.021 0.000 2.104 438 D HA -0.181 4.453 4.640 -0.011 0.000 0.194 438 D C 1.850 178.129 176.300 -0.035 0.000 0.994 438 D CA 0.877 54.863 54.000 -0.022 0.000 0.830 438 D CB -0.265 40.529 40.800 -0.011 0.000 0.959 438 D HN 0.039 nan 8.370 nan 0.000 0.452 439 L N 0.530 121.731 121.223 -0.036 0.000 2.046 439 L HA -0.128 4.205 4.340 -0.011 0.000 0.208 439 L C 2.171 178.989 176.870 -0.086 0.000 1.077 439 L CA 1.234 56.038 54.840 -0.060 0.000 0.747 439 L CB -0.350 41.682 42.059 -0.044 0.000 0.896 439 L HN -0.122 nan 8.230 nan 0.000 0.432 440 V N 0.410 120.278 119.914 -0.076 0.000 2.295 440 V HA -0.264 3.849 4.120 -0.011 0.000 0.246 440 V C 2.069 178.119 176.094 -0.072 0.000 1.049 440 V CA 2.009 64.259 62.300 -0.083 0.000 1.024 440 V CB -0.932 30.848 31.823 -0.072 0.000 0.648 440 V HN 0.541 nan 8.190 nan 0.000 0.447 441 N N 0.000 118.666 118.700 -0.057 0.000 2.521 441 N HA -0.041 4.693 4.740 -0.011 0.000 0.188 441 N C 0.993 176.470 175.510 -0.053 0.000 1.146 441 N CA 0.200 53.221 53.050 -0.049 0.000 0.893 441 N CB -0.182 38.283 38.487 -0.037 0.000 0.975 441 N HN 0.647 nan 8.380 nan 0.000 0.451 442 Q N 1.674 121.433 119.800 -0.068 0.000 2.330 442 Q HA 0.034 4.367 4.340 -0.011 0.000 0.279 442 Q C -0.893 175.061 176.000 -0.076 0.000 1.024 442 Q CA 0.117 55.875 55.803 -0.076 0.000 0.900 442 Q CB 0.462 29.136 28.738 -0.107 0.000 1.221 442 Q HN 0.273 nan 8.270 nan 0.000 0.396 443 D N 1.365 121.728 120.400 -0.063 0.000 2.523 443 D HA 0.697 5.331 4.640 -0.011 0.000 0.236 443 D C 0.128 176.397 176.300 -0.051 0.000 1.094 443 D CA -0.269 53.698 54.000 -0.054 0.000 0.942 443 D CB 1.668 42.444 40.800 -0.040 0.000 1.447 443 D HN 0.542 nan 8.370 nan 0.000 0.479 444 G N -1.416 107.358 108.800 -0.044 0.000 4.226 444 G HA2 0.364 4.317 3.960 -0.011 0.000 0.220 444 G HA3 0.364 4.317 3.960 -0.011 0.000 0.220 444 G C 1.030 175.912 174.900 -0.030 0.000 0.817 444 G CA 0.222 45.300 45.100 -0.037 0.000 0.879 444 G HN 1.633 nan 8.290 nan 0.000 0.669 445 G N -0.088 108.695 108.800 -0.028 0.000 2.166 445 G HA2 -0.265 3.688 3.960 -0.011 0.000 0.260 445 G HA3 -0.265 3.688 3.960 -0.011 0.000 0.260 445 G C 0.032 174.923 174.900 -0.015 0.000 0.986 445 G CA 0.830 45.919 45.100 -0.018 0.000 0.683 445 G HN 0.599 nan 8.290 nan 0.000 0.527 446 E N 0.235 120.423 120.200 -0.021 0.000 2.249 446 E HA 0.260 4.603 4.350 -0.011 0.000 0.280 446 E C -0.000 176.603 176.600 0.005 0.000 1.016 446 E CA -0.760 55.632 56.400 -0.014 0.000 0.830 446 E CB 1.009 30.697 29.700 -0.021 0.000 1.081 446 E HN 0.241 nan 8.360 nan 0.000 0.395 447 N N 4.077 122.780 118.700 0.004 0.000 2.408 447 N HA -0.019 4.715 4.740 -0.011 0.000 0.257 447 N C 1.245 176.759 175.510 0.006 0.000 1.064 447 N CA -0.402 52.656 53.050 0.013 0.000 0.952 447 N CB 0.340 38.801 38.487 -0.044 0.000 1.093 447 N HN 0.588 nan 8.380 nan 0.000 0.490 448 W N 4.367 125.656 121.300 -0.019 0.000 2.321 448 W HA -0.232 4.423 4.660 -0.009 0.000 0.306 448 W C 0.942 177.486 176.519 0.041 0.000 1.217 448 W CA 1.373 58.728 57.345 0.017 0.000 1.257 448 W CB -1.365 28.113 29.460 0.029 0.000 1.145 448 W HN 0.554 nan 8.180 nan 0.000 0.509 449 A N 1.808 123.857 122.820 -1.285 0.000 1.940 449 A HA -0.211 4.103 4.320 -0.011 0.000 0.219 449 A C 2.046 179.314 177.584 -0.527 0.000 1.176 449 A CA 2.159 53.460 52.037 -1.227 0.000 0.631 449 A CB -0.624 17.758 19.000 -1.029 0.000 0.814 449 A HN 0.156 nan 8.150 nan 0.000 0.446 450 K N -0.227 119.985 120.400 -0.312 0.000 2.217 450 K HA 0.116 4.429 4.320 -0.011 0.000 0.202 450 K C 1.689 178.214 176.600 -0.126 0.000 1.051 450 K CA 0.788 56.967 56.287 -0.180 0.000 0.952 450 K CB -0.478 31.953 32.500 -0.115 0.000 0.736 450 K HN 0.641 nan 8.250 nan 0.000 0.453 451 I N 0.545 121.059 120.570 -0.092 0.000 2.286 451 I HA -0.203 3.960 4.170 -0.011 0.000 0.245 451 I C 2.728 178.822 176.117 -0.039 0.000 1.104 451 I CA 0.804 62.096 61.300 -0.013 0.000 1.397 451 I CB -0.239 37.820 38.000 0.099 0.000 1.072 451 I HN 0.147 nan 8.210 nan 0.000 0.417 452 R N 1.377 121.825 120.500 -0.087 0.000 2.097 452 R HA -0.239 4.094 4.340 -0.011 0.000 0.236 452 R C 1.905 178.125 176.300 -0.134 0.000 1.135 452 R CA 2.465 58.505 56.100 -0.100 0.000 0.934 452 R CB -0.357 29.796 30.300 -0.244 0.000 0.846 452 R HN 0.305 nan 8.270 nan 0.000 0.431 453 D N 0.368 120.662 120.400 -0.178 0.000 2.116 453 D HA -0.188 4.445 4.640 -0.011 0.000 0.193 453 D C 1.875 178.098 176.300 -0.128 0.000 0.998 453 D CA 1.604 55.508 54.000 -0.160 0.000 0.836 453 D CB -0.325 40.381 40.800 -0.156 0.000 0.951 453 D HN 0.492 nan 8.370 nan 0.000 0.449 454 E N 0.196 120.336 120.200 -0.100 0.000 2.077 454 E HA -0.160 4.183 4.350 -0.011 0.000 0.193 454 E C 2.130 178.678 176.600 -0.087 0.000 0.989 454 E CA 0.537 56.890 56.400 -0.079 0.000 0.800 454 E CB -0.147 29.520 29.700 -0.054 0.000 0.746 454 E HN 0.266 nan 8.360 nan 0.000 0.452 455 M N 0.624 120.172 119.600 -0.086 0.000 2.065 455 M HA -0.159 4.315 4.480 -0.011 0.000 0.259 455 M C 2.296 178.502 176.300 -0.155 0.000 1.071 455 M CA 2.349 57.587 55.300 -0.104 0.000 1.109 455 M CB -0.496 32.055 32.600 -0.082 0.000 1.313 455 M HN 0.155 nan 8.290 nan 0.000 0.408 456 G N 0.760 109.464 108.800 -0.161 0.000 2.476 456 G HA2 -0.249 3.704 3.960 -0.011 0.000 0.218 456 G HA3 -0.249 3.704 3.960 -0.011 0.000 0.218 456 G C 1.448 176.236 174.900 -0.187 0.000 1.164 456 G CA 1.264 46.245 45.100 -0.199 0.000 0.768 456 G HN 0.511 nan 8.290 nan 0.000 0.560 457 L N 0.558 121.693 121.223 -0.147 0.000 2.079 457 L HA -0.096 4.237 4.340 -0.011 0.000 0.210 457 L C 3.399 180.225 176.870 -0.075 0.000 1.081 457 L CA 0.985 55.767 54.840 -0.097 0.000 0.752 457 L CB -0.375 41.641 42.059 -0.071 0.000 0.896 457 L HN 0.345 nan 8.230 nan 0.000 0.433 458 A N -0.402 122.357 122.820 -0.102 0.000 1.873 458 A HA -0.187 4.126 4.320 -0.011 0.000 0.215 458 A C 2.260 179.767 177.584 -0.129 0.000 1.186 458 A CA 1.327 53.308 52.037 -0.094 0.000 0.616 458 A CB -0.332 18.610 19.000 -0.097 0.000 0.823 458 A HN 0.244 nan 8.150 nan 0.000 0.442 459 M N -0.573 118.874 119.600 -0.255 0.000 2.213 459 M HA -0.122 4.351 4.480 -0.011 0.000 0.263 459 M C 1.886 178.059 176.300 -0.212 0.000 1.062 459 M CA 1.736 56.768 55.300 -0.446 0.000 1.105 459 M CB -1.284 30.651 32.600 -1.108 0.000 1.385 459 M HN 0.544 nan 8.290 nan 0.000 0.417 460 E N 0.490 120.660 120.200 -0.049 0.000 2.072 460 E HA -0.153 4.191 4.350 -0.011 0.000 0.190 460 E C 1.952 178.652 176.600 0.167 0.000 0.982 460 E CA 1.458 57.990 56.400 0.220 0.000 0.803 460 E CB -0.028 29.788 29.700 0.193 0.000 0.755 460 E HN 0.579 nan 8.360 nan 0.000 0.453 461 E N -1.310 118.938 120.200 0.079 0.000 2.051 461 E HA -0.057 4.287 4.350 -0.011 0.000 0.189 461 E C 1.890 178.528 176.600 0.063 0.000 0.979 461 E CA 1.017 57.460 56.400 0.072 0.000 0.803 461 E CB -0.268 29.459 29.700 0.044 0.000 0.761 461 E HN 0.319 nan 8.360 nan 0.000 0.451 462 G N -0.429 108.389 108.800 0.031 0.000 2.492 462 G HA2 -0.113 3.840 3.960 -0.011 0.000 0.214 462 G HA3 -0.113 3.840 3.960 -0.011 0.000 0.214 462 G C 0.887 175.809 174.900 0.037 0.000 1.147 462 G CA 0.407 45.519 45.100 0.021 0.000 0.809 462 G HN 0.316 nan 8.290 nan 0.000 0.533 463 C N 1.845 121.190 119.300 0.075 0.000 2.534 463 C HA 0.627 5.080 4.460 -0.011 0.000 0.285 463 C C 1.516 176.651 174.990 0.241 0.000 1.505 463 C CA -0.987 58.116 59.018 0.140 0.000 1.715 463 C CB -0.689 27.152 27.740 0.167 0.000 2.935 463 C HN 0.411 nan 8.230 nan 0.000 0.540 464 G N 0.393 109.259 108.800 0.110 0.000 2.630 464 G HA2 0.434 4.387 3.960 -0.011 0.000 0.223 464 G HA3 0.434 4.387 3.960 -0.011 0.000 0.223 464 G C 0.981 175.694 174.900 -0.312 0.000 1.434 464 G CA -0.386 44.698 45.100 -0.027 0.000 1.057 464 G HN 0.302 nan 8.290 nan 0.000 0.570 465 I N -1.142 119.065 120.570 -0.605 0.000 2.286 465 I HA -0.038 4.125 4.170 -0.011 0.000 0.248 465 I C 0.195 175.875 176.117 -0.727 0.000 1.115 465 I CA 1.135 62.007 61.300 -0.714 0.000 1.392 465 I CB -0.144 37.408 38.000 -0.746 0.000 1.065 465 I HN 0.129 nan 8.210 nan 0.000 0.418 466 Y N 0.463 120.466 120.300 -0.495 0.000 2.338 466 Y HA 0.487 5.030 4.550 -0.011 0.000 0.333 466 Y C -0.098 175.603 175.900 -0.331 0.000 0.968 466 Y CA -0.973 56.812 58.100 -0.525 0.000 1.123 466 Y CB 1.250 39.141 38.460 -0.947 0.000 1.165 466 Y HN -0.123 nan 8.280 nan 0.000 0.452 467 R N 1.518 121.965 120.500 -0.087 0.000 2.514 467 R HA 0.588 4.922 4.340 -0.011 0.000 0.301 467 R C -0.728 175.539 176.300 -0.055 0.000 0.962 467 R CA -0.859 55.201 56.100 -0.068 0.000 0.882 467 R CB 1.803 32.057 30.300 -0.076 0.000 1.143 467 R HN 0.631 nan 8.270 nan 0.000 0.452 468 T N -1.498 113.046 114.554 -0.018 0.000 2.863 468 T HA 0.349 4.692 4.350 -0.011 0.000 0.285 468 T C -1.832 172.869 174.700 0.001 0.000 1.009 468 T CA -2.152 59.943 62.100 -0.008 0.000 0.989 468 T CB 2.088 70.965 68.868 0.015 0.000 1.004 468 T HN 0.294 nan 8.240 nan 0.000 0.455 469 P HA -0.153 nan 4.420 nan 0.000 0.218 469 P C 1.184 178.489 177.300 0.007 0.000 1.148 469 P CA 1.030 64.134 63.100 0.006 0.000 0.822 469 P CB 0.346 32.052 31.700 0.009 0.000 0.784 470 E N 0.087 120.295 120.200 0.013 0.000 2.051 470 E HA -0.135 4.209 4.350 -0.011 0.000 0.192 470 E C 2.191 178.800 176.600 0.014 0.000 0.991 470 E CA 0.984 57.394 56.400 0.016 0.000 0.799 470 E CB -0.339 29.375 29.700 0.023 0.000 0.748 470 E HN 0.216 nan 8.360 nan 0.000 0.449 471 L N 0.007 121.242 121.223 0.020 0.000 2.131 471 L HA -0.099 4.234 4.340 -0.011 0.000 0.206 471 L C 2.735 179.605 176.870 0.001 0.000 1.087 471 L CA 0.558 55.410 54.840 0.019 0.000 0.767 471 L CB -0.232 41.851 42.059 0.039 0.000 0.917 471 L HN 0.233 nan 8.230 nan 0.000 0.441 472 M N -0.690 118.908 119.600 -0.004 0.000 2.117 472 M HA -0.259 4.215 4.480 -0.011 0.000 0.262 472 M C 2.366 178.635 176.300 -0.051 0.000 1.065 472 M CA 1.738 57.023 55.300 -0.024 0.000 1.114 472 M CB -0.299 32.292 32.600 -0.016 0.000 1.361 472 M HN 0.194 nan 8.290 nan 0.000 0.408 473 Q N 1.127 120.906 119.800 -0.036 0.000 2.061 473 Q HA -0.217 4.117 4.340 -0.011 0.000 0.204 473 Q C 1.821 177.796 176.000 -0.042 0.000 0.984 473 Q CA 2.023 57.800 55.803 -0.043 0.000 0.846 473 Q CB -0.301 28.427 28.738 -0.016 0.000 0.902 473 Q HN 0.370 nan 8.270 nan 0.000 0.421 474 K N -1.204 119.182 120.400 -0.023 0.000 2.113 474 K HA -0.179 4.134 4.320 -0.011 0.000 0.208 474 K C 1.768 178.349 176.600 -0.033 0.000 1.047 474 K CA 1.825 58.101 56.287 -0.018 0.000 0.928 474 K CB -0.238 32.260 32.500 -0.003 0.000 0.716 474 K HN 0.292 nan 8.250 nan 0.000 0.446 475 T N 1.050 115.576 114.554 -0.047 0.000 2.812 475 T HA -0.003 4.340 4.350 -0.011 0.000 0.264 475 T C 1.774 176.420 174.700 -0.090 0.000 1.042 475 T CA 1.169 63.229 62.100 -0.066 0.000 1.140 475 T CB -0.059 68.765 68.868 -0.073 0.000 0.870 475 T HN 0.188 nan 8.240 nan 0.000 0.445 476 I N 1.389 121.886 120.570 -0.123 0.000 2.286 476 I HA -0.166 3.997 4.170 -0.011 0.000 0.248 476 I C 2.102 178.168 176.117 -0.085 0.000 1.115 476 I CA 1.103 62.299 61.300 -0.174 0.000 1.392 476 I CB -0.296 37.518 38.000 -0.310 0.000 1.065 476 I HN 0.131 nan 8.210 nan 0.000 0.418 477 D N 0.650 121.018 120.400 -0.054 0.000 2.219 477 D HA -0.182 4.451 4.640 -0.011 0.000 0.205 477 D C 2.059 178.349 176.300 -0.017 0.000 0.970 477 D CA 1.065 55.052 54.000 -0.021 0.000 0.851 477 D CB -0.061 40.732 40.800 -0.013 0.000 0.943 477 D HN 0.155 nan 8.370 nan 0.000 0.488 478 K N 0.547 120.930 120.400 -0.029 0.000 2.076 478 K HA 0.059 4.372 4.320 -0.011 0.000 0.204 478 K C 2.091 178.676 176.600 -0.024 0.000 1.051 478 K CA 0.503 56.775 56.287 -0.025 0.000 0.949 478 K CB -0.282 32.196 32.500 -0.036 0.000 0.726 478 K HN 0.055 nan 8.250 nan 0.000 0.443 479 L N 0.131 121.332 121.223 -0.037 0.000 2.083 479 L HA -0.113 4.220 4.340 -0.011 0.000 0.209 479 L C 2.406 179.274 176.870 -0.004 0.000 1.083 479 L CA 1.184 56.005 54.840 -0.031 0.000 0.752 479 L CB -0.588 41.442 42.059 -0.047 0.000 0.899 479 L HN 0.253 nan 8.230 nan 0.000 0.433 480 A N -0.106 122.719 122.820 0.007 0.000 1.877 480 A HA -0.267 4.046 4.320 -0.011 0.000 0.216 480 A C 2.290 179.889 177.584 0.025 0.000 1.186 480 A CA 1.881 53.934 52.037 0.026 0.000 0.620 480 A CB -0.553 18.466 19.000 0.033 0.000 0.822 480 A HN 0.471 nan 8.150 nan 0.000 0.443 481 E N -0.040 120.170 120.200 0.017 0.000 2.038 481 E HA -0.195 4.148 4.350 -0.011 0.000 0.195 481 E C 1.839 178.458 176.600 0.032 0.000 1.000 481 E CA 1.363 57.775 56.400 0.020 0.000 0.803 481 E CB -0.258 29.448 29.700 0.010 0.000 0.750 481 E HN 0.611 nan 8.360 nan 0.000 0.448 482 L N 0.763 122.003 121.223 0.028 0.000 2.353 482 L HA -0.171 4.162 4.340 -0.011 0.000 0.220 482 L C 2.631 179.556 176.870 0.092 0.000 1.133 482 L CA 0.549 55.420 54.840 0.051 0.000 0.798 482 L CB -0.256 41.821 42.059 0.029 0.000 0.922 482 L HN 0.212 nan 8.230 nan 0.000 0.445 483 Q N -0.377 119.463 119.800 0.068 0.000 2.096 483 Q HA -0.176 4.158 4.340 -0.011 0.000 0.197 483 Q C 2.046 178.123 176.000 0.129 0.000 0.964 483 Q CA 0.975 56.829 55.803 0.086 0.000 0.838 483 Q CB 0.043 28.803 28.738 0.036 0.000 0.906 483 Q HN 0.339 nan 8.270 nan 0.000 0.444 484 E N 1.382 121.633 120.200 0.084 0.000 2.110 484 E HA -0.127 4.216 4.350 -0.011 0.000 0.193 484 E C 1.857 178.504 176.600 0.078 0.000 0.988 484 E CA 1.194 57.636 56.400 0.070 0.000 0.804 484 E CB 0.014 29.740 29.700 0.043 0.000 0.745 484 E HN 0.127 nan 8.360 nan 0.000 0.458 485 R N -0.973 119.578 120.500 0.084 0.000 2.115 485 R HA -0.091 4.242 4.340 -0.011 0.000 0.230 485 R C 2.227 178.579 176.300 0.086 0.000 1.111 485 R CA 1.045 57.187 56.100 0.069 0.000 0.976 485 R CB -0.476 29.861 30.300 0.062 0.000 0.870 485 R HN 0.268 nan 8.270 nan 0.000 0.445 486 F N 2.131 122.089 119.950 0.013 0.000 2.202 486 F HA -0.178 4.342 4.527 -0.012 0.000 0.301 486 F C 1.626 177.433 175.800 0.011 0.000 1.082 486 F CA 1.555 59.567 58.000 0.021 0.000 1.313 486 F CB 0.094 39.102 39.000 0.014 0.000 1.024 486 F HN -0.178 nan 8.300 nan 0.000 0.495 487 K N -0.345 120.077 120.400 0.036 0.000 2.504 487 K HA -0.023 4.291 4.320 -0.011 0.000 0.195 487 K C 1.174 177.721 176.600 -0.089 0.000 1.036 487 K CA 0.478 56.747 56.287 -0.031 0.000 0.984 487 K CB 0.015 32.544 32.500 0.047 0.000 0.788 487 K HN 0.156 nan 8.250 nan 0.000 0.488 488 R N 0.463 120.910 120.500 -0.089 0.000 2.586 488 R HA 0.168 4.501 4.340 -0.011 0.000 0.336 488 R C -0.789 175.448 176.300 -0.104 0.000 1.060 488 R CA -0.164 55.891 56.100 -0.074 0.000 1.079 488 R CB 0.921 31.201 30.300 -0.034 0.000 1.317 488 R HN -0.123 nan 8.270 nan 0.000 0.568 489 V N 1.086 120.884 119.914 -0.194 0.000 2.509 489 V HA 0.323 4.436 4.120 -0.011 0.000 0.284 489 V C 0.109 176.109 176.094 -0.157 0.000 1.047 489 V CA -0.522 61.666 62.300 -0.187 0.000 0.952 489 V CB 1.544 33.161 31.823 -0.343 0.000 0.988 489 V HN 0.182 nan 8.190 nan 0.000 0.469 490 R N 4.910 125.358 120.500 -0.086 0.000 2.437 490 R HA 0.505 4.839 4.340 -0.011 0.000 0.310 490 R C -0.821 175.443 176.300 -0.061 0.000 0.955 490 R CA -0.662 55.392 56.100 -0.076 0.000 0.851 490 R CB 1.139 31.410 30.300 -0.049 0.000 1.161 490 R HN 0.686 nan 8.270 nan 0.000 0.446 491 I N 5.385 125.900 120.570 -0.092 0.000 2.227 491 I HA -0.008 4.156 4.170 -0.011 0.000 0.297 491 I C 1.781 177.852 176.117 -0.076 0.000 1.173 491 I CA -0.089 61.151 61.300 -0.101 0.000 1.356 491 I CB 0.902 38.810 38.000 -0.153 0.000 1.485 491 I HN 0.757 nan 8.210 nan 0.000 0.604 492 T N -0.223 114.306 114.554 -0.042 0.000 2.969 492 T HA -0.193 4.150 4.350 -0.011 0.000 0.271 492 T C 0.747 175.421 174.700 -0.043 0.000 1.127 492 T CA 0.725 62.806 62.100 -0.032 0.000 1.102 492 T CB -0.223 68.641 68.868 -0.007 0.000 0.855 492 T HN 0.428 nan 8.240 nan 0.000 0.536 493 D N 2.107 122.467 120.400 -0.066 0.000 2.359 493 D HA 0.194 4.827 4.640 -0.011 0.000 0.230 493 D C 0.866 177.112 176.300 -0.089 0.000 1.118 493 D CA -0.152 53.803 54.000 -0.075 0.000 0.844 493 D CB 1.421 42.163 40.800 -0.096 0.000 1.059 493 D HN 0.362 nan 8.370 nan 0.000 0.493 494 T N 0.123 114.636 114.554 -0.068 0.000 3.223 494 T HA 0.170 4.513 4.350 -0.011 0.000 0.259 494 T C 0.872 175.535 174.700 -0.061 0.000 1.015 494 T CA -0.405 61.655 62.100 -0.067 0.000 0.908 494 T CB -0.296 68.541 68.868 -0.052 0.000 1.054 494 T HN 0.222 nan 8.240 nan 0.000 0.567 495 S N 0.815 116.477 115.700 -0.064 0.000 2.625 495 S HA 0.427 4.890 4.470 -0.011 0.000 0.258 495 S C 0.901 175.464 174.600 -0.061 0.000 1.256 495 S CA -0.385 57.784 58.200 -0.051 0.000 0.983 495 S CB 0.755 63.930 63.200 -0.043 0.000 1.032 495 S HN 0.241 nan 8.310 nan 0.000 0.572 496 S N -1.370 114.303 115.700 -0.045 0.000 2.653 496 S HA 0.231 4.694 4.470 -0.011 0.000 0.259 496 S C -0.254 174.326 174.600 -0.034 0.000 1.076 496 S CA -0.329 57.842 58.200 -0.048 0.000 1.051 496 S CB 0.505 63.687 63.200 -0.030 0.000 0.994 496 S HN 0.515 nan 8.310 nan 0.000 0.552 497 V N 3.458 123.371 119.914 -0.002 0.000 2.353 497 V HA 0.394 4.507 4.120 -0.011 0.000 0.264 497 V C -0.131 176.031 176.094 0.113 0.000 1.049 497 V CA -0.415 61.914 62.300 0.048 0.000 0.896 497 V CB -0.648 31.207 31.823 0.053 0.000 1.025 497 V HN 0.539 nan 8.190 nan 0.000 0.475 498 F N 4.036 123.938 119.950 -0.080 0.000 2.773 498 F HA -0.221 4.300 4.527 -0.010 0.000 0.251 498 F C 0.694 176.413 175.800 -0.136 0.000 1.020 498 F CA 0.425 58.368 58.000 -0.096 0.000 0.924 498 F CB -0.410 38.554 39.000 -0.060 0.000 0.919 498 F HN 0.703 nan 8.300 nan 0.000 0.846 499 N N 1.609 120.150 118.700 -0.265 0.000 2.482 499 N HA 0.112 4.845 4.740 -0.011 0.000 0.242 499 N C 1.296 176.517 175.510 -0.481 0.000 1.100 499 N CA 0.679 53.559 53.050 -0.283 0.000 0.946 499 N CB 0.874 39.215 38.487 -0.243 0.000 1.227 499 N HN 0.488 nan 8.380 nan 0.000 0.508 500 T N -0.088 114.146 114.554 -0.533 0.000 3.023 500 T HA -0.086 4.258 4.350 -0.011 0.000 0.266 500 T C 1.310 175.312 174.700 -1.164 0.000 1.093 500 T CA 0.700 62.241 62.100 -0.932 0.000 1.129 500 T CB 0.023 68.296 68.868 -0.992 0.000 0.899 500 T HN 0.324 nan 8.240 nan 0.000 0.491 501 D N 1.073 121.047 120.400 -0.711 0.000 2.123 501 D HA -0.094 4.539 4.640 -0.011 0.000 0.196 501 D C 1.886 177.822 176.300 -0.607 0.000 0.992 501 D CA 0.900 54.558 54.000 -0.571 0.000 0.833 501 D CB -0.400 40.224 40.800 -0.293 0.000 0.954 501 D HN 0.319 nan 8.370 nan 0.000 0.455 502 L N 0.121 121.044 121.223 -0.500 0.000 2.027 502 L HA 0.001 4.334 4.340 -0.011 0.000 0.206 502 L C 2.076 178.641 176.870 -0.508 0.000 1.074 502 L CA 1.487 56.065 54.840 -0.437 0.000 0.745 502 L CB -0.679 41.166 42.059 -0.356 0.000 0.898 502 L HN 0.168 nan 8.230 nan 0.000 0.433 503 L N -1.610 119.243 121.223 -0.617 0.000 2.046 503 L HA -0.257 4.076 4.340 -0.011 0.000 0.208 503 L C 2.583 179.230 176.870 -0.372 0.000 1.077 503 L CA 1.600 56.028 54.840 -0.686 0.000 0.747 503 L CB -0.871 40.718 42.059 -0.783 0.000 0.896 503 L HN 0.328 nan 8.230 nan 0.000 0.432 504 Y N -0.221 119.737 120.300 -0.569 0.000 2.224 504 Y HA -0.250 4.293 4.550 -0.012 0.000 0.289 504 Y C 2.839 178.287 175.900 -0.753 0.000 1.146 504 Y CA 0.857 58.553 58.100 -0.673 0.000 1.182 504 Y CB -0.518 37.285 38.460 -1.096 0.000 0.983 504 Y HN 0.208 nan 8.280 nan 0.000 0.524 505 T N 0.674 114.854 114.554 -0.624 0.000 2.777 505 T HA -0.146 4.198 4.350 -0.011 0.000 0.266 505 T C 1.805 176.507 174.700 0.003 0.000 1.040 505 T CA 1.238 63.150 62.100 -0.313 0.000 1.141 505 T CB -0.347 68.313 68.868 -0.346 0.000 0.868 505 T HN 0.249 nan 8.240 nan 0.000 0.444 506 I N 0.913 121.420 120.570 -0.104 0.000 2.142 506 I HA -0.164 4.000 4.170 -0.011 0.000 0.240 506 I C 2.638 178.740 176.117 -0.025 0.000 1.078 506 I CA 1.384 62.654 61.300 -0.050 0.000 1.343 506 I CB -0.390 37.554 38.000 -0.093 0.000 1.046 506 I HN 0.272 nan 8.210 nan 0.000 0.405 507 E N 0.536 120.807 120.200 0.119 0.000 2.086 507 E HA -0.309 4.034 4.350 -0.011 0.000 0.200 507 E C 2.103 178.778 176.600 0.125 0.000 1.012 507 E CA 1.640 58.179 56.400 0.233 0.000 0.812 507 E CB -0.277 29.555 29.700 0.220 0.000 0.743 507 E HN 0.293 nan 8.360 nan 0.000 0.453 508 L N 0.539 121.837 121.223 0.125 0.000 2.079 508 L HA -0.101 4.232 4.340 -0.011 0.000 0.210 508 L C 2.066 178.872 176.870 -0.107 0.000 1.081 508 L CA 2.273 57.208 54.840 0.158 0.000 0.752 508 L CB -0.875 41.449 42.059 0.440 0.000 0.896 508 L HN 0.115 nan 8.230 nan 0.000 0.433 509 G N -1.642 106.964 108.800 -0.324 0.000 2.433 509 G HA2 -0.283 3.670 3.960 -0.011 0.000 0.216 509 G HA3 -0.283 3.670 3.960 -0.011 0.000 0.216 509 G C 1.463 176.111 174.900 -0.420 0.000 1.186 509 G CA 0.884 45.495 45.100 -0.815 0.000 0.779 509 G HN 0.549 nan 8.290 nan 0.000 0.543 510 H N 0.844 119.823 119.070 -0.152 0.000 2.352 510 H HA -0.091 4.458 4.556 -0.012 0.000 0.299 510 H C 2.873 178.142 175.328 -0.099 0.000 1.097 510 H CA 1.288 57.277 56.048 -0.098 0.000 1.311 510 H CB -0.914 28.824 29.762 -0.039 0.000 1.377 510 H HN 0.360 nan 8.280 nan 0.000 0.504 511 G N 0.939 109.764 108.800 0.042 0.000 2.446 511 G HA2 -0.207 3.746 3.960 -0.011 0.000 0.217 511 G HA3 -0.207 3.746 3.960 -0.011 0.000 0.217 511 G C 1.995 176.864 174.900 -0.052 0.000 1.168 511 G CA 0.782 45.879 45.100 -0.004 0.000 0.771 511 G HN 0.294 nan 8.290 nan 0.000 0.551 512 L N 0.500 121.662 121.223 -0.101 0.000 2.043 512 L HA -0.157 4.176 4.340 -0.011 0.000 0.212 512 L C 2.808 179.626 176.870 -0.087 0.000 1.075 512 L CA 1.203 55.976 54.840 -0.113 0.000 0.752 512 L CB -0.461 41.486 42.059 -0.187 0.000 0.891 512 L HN 0.151 nan 8.230 nan 0.000 0.432 513 N N -0.378 118.268 118.700 -0.090 0.000 2.084 513 N HA -0.137 4.596 4.740 -0.011 0.000 0.190 513 N C 1.842 177.335 175.510 -0.028 0.000 1.030 513 N CA 1.270 54.290 53.050 -0.050 0.000 0.849 513 N CB -0.556 37.911 38.487 -0.034 0.000 1.012 513 N HN 0.096 nan 8.380 nan 0.000 0.423 514 V N 1.374 121.272 119.914 -0.027 0.000 2.515 514 V HA -0.122 3.991 4.120 -0.011 0.000 0.250 514 V C 2.311 178.388 176.094 -0.029 0.000 1.058 514 V CA 1.574 63.856 62.300 -0.030 0.000 1.064 514 V CB -0.949 30.854 31.823 -0.033 0.000 0.675 514 V HN 0.289 nan 8.190 nan 0.000 0.461 515 A N -0.318 122.477 122.820 -0.041 0.000 1.930 515 A HA -0.214 4.099 4.320 -0.011 0.000 0.217 515 A C 2.188 179.749 177.584 -0.038 0.000 1.175 515 A CA 1.692 53.692 52.037 -0.060 0.000 0.627 515 A CB -0.373 18.569 19.000 -0.097 0.000 0.815 515 A HN 0.612 nan 8.150 nan 0.000 0.443 516 E N -0.911 119.285 120.200 -0.005 0.000 2.106 516 E HA -0.152 4.191 4.350 -0.011 0.000 0.192 516 E C 2.019 178.692 176.600 0.122 0.000 0.984 516 E CA 1.063 57.504 56.400 0.068 0.000 0.806 516 E CB -0.328 29.438 29.700 0.110 0.000 0.750 516 E HN 0.671 nan 8.360 nan 0.000 0.458 517 C N 0.636 119.969 119.300 0.055 0.000 2.429 517 C HA -0.146 4.307 4.460 -0.011 0.000 0.277 517 C C 2.680 177.686 174.990 0.026 0.000 1.262 517 C CA 0.713 59.754 59.018 0.039 0.000 1.733 517 C CB -0.689 27.044 27.740 -0.013 0.000 2.010 517 C HN 0.458 nan 8.230 nan 0.000 0.483 518 M N 0.854 120.454 119.600 0.000 0.000 2.065 518 M HA -0.163 4.310 4.480 -0.011 0.000 0.259 518 M C 2.586 178.867 176.300 -0.033 0.000 1.071 518 M CA 2.262 57.553 55.300 -0.016 0.000 1.109 518 M CB -0.695 31.910 32.600 0.008 0.000 1.313 518 M HN 0.442 nan 8.290 nan 0.000 0.408 519 A N -0.327 122.466 122.820 -0.045 0.000 1.865 519 A HA -0.217 4.096 4.320 -0.011 0.000 0.217 519 A C 1.928 179.442 177.584 -0.116 0.000 1.191 519 A CA 1.714 53.691 52.037 -0.099 0.000 0.623 519 A CB -1.302 17.601 19.000 -0.162 0.000 0.826 519 A HN 0.505 nan 8.150 nan 0.000 0.444 520 H N -0.320 118.729 119.070 -0.034 0.000 2.353 520 H HA -0.071 4.479 4.556 -0.011 0.000 0.300 520 H C 2.619 177.925 175.328 -0.036 0.000 1.090 520 H CA 1.623 57.656 56.048 -0.025 0.000 1.327 520 H CB -0.263 29.487 29.762 -0.019 0.000 1.383 520 H HN 0.480 nan 8.280 nan 0.000 0.508 521 S N 0.308 116.042 115.700 0.057 0.000 2.359 521 S HA -0.158 4.305 4.470 -0.011 0.000 0.224 521 S C 2.443 176.964 174.600 -0.132 0.000 1.035 521 S CA 1.052 59.236 58.200 -0.026 0.000 1.018 521 S CB -0.223 62.934 63.200 -0.071 0.000 0.876 521 S HN 0.553 nan 8.310 nan 0.000 0.448 522 A N 0.992 123.700 122.820 -0.187 0.000 1.873 522 A HA -0.050 4.263 4.320 -0.011 0.000 0.215 522 A C 2.100 179.629 177.584 -0.093 0.000 1.186 522 A CA 1.777 53.641 52.037 -0.290 0.000 0.616 522 A CB -0.617 18.311 19.000 -0.121 0.000 0.823 522 A HN 0.468 nan 8.150 nan 0.000 0.442 523 M N 0.286 119.869 119.600 -0.027 0.000 2.202 523 M HA -0.062 4.411 4.480 -0.011 0.000 0.262 523 M C 1.934 178.256 176.300 0.036 0.000 1.063 523 M CA 1.750 57.056 55.300 0.010 0.000 1.097 523 M CB -0.410 32.182 32.600 -0.013 0.000 1.382 523 M HN 0.365 nan 8.290 nan 0.000 0.413 524 A N -0.682 122.171 122.820 0.055 0.000 2.021 524 A HA 0.038 4.352 4.320 -0.011 0.000 0.216 524 A C 1.615 179.241 177.584 0.071 0.000 1.163 524 A CA 0.257 52.372 52.037 0.131 0.000 0.676 524 A CB -0.450 18.689 19.000 0.231 0.000 0.818 524 A HN 0.479 nan 8.150 nan 0.000 0.453 525 R N 1.439 121.888 120.500 -0.085 0.000 2.609 525 R HA 0.115 4.449 4.340 -0.011 0.000 0.271 525 R C -0.691 175.382 176.300 -0.377 0.000 1.403 525 R CA 0.006 55.893 56.100 -0.355 0.000 1.138 525 R CB -0.310 29.723 30.300 -0.444 0.000 1.142 525 R HN 0.198 nan 8.270 nan 0.000 0.559 526 K N 4.584 124.588 120.400 -0.660 0.000 2.737 526 K HA 0.002 4.315 4.320 -0.011 0.000 0.251 526 K C -0.544 175.791 176.600 -0.443 0.000 1.280 526 K CA 0.066 56.136 56.287 -0.363 0.000 1.219 526 K CB -0.005 32.432 32.500 -0.105 0.000 1.587 526 K HN 0.675 nan 8.250 nan 0.000 0.279 527 E N -1.838 118.158 120.200 -0.340 0.000 2.439 527 E HA 0.334 4.677 4.350 -0.011 0.000 0.279 527 E C -1.303 175.266 176.600 -0.051 0.000 1.077 527 E CA -1.072 55.224 56.400 -0.174 0.000 0.849 527 E CB 1.097 30.687 29.700 -0.184 0.000 1.408 527 E HN -0.130 nan 8.360 nan 0.000 0.457 528 S N 0.046 115.740 115.700 -0.010 0.000 2.530 528 S HA 0.575 5.039 4.470 -0.011 0.000 0.322 528 S C -0.935 173.724 174.600 0.097 0.000 1.085 528 S CA -0.680 57.513 58.200 -0.012 0.000 1.096 528 S CB 0.867 64.043 63.200 -0.040 0.000 0.988 528 S HN 0.425 nan 8.310 nan 0.000 0.466 529 R N 1.707 122.327 120.500 0.201 0.000 2.533 529 R HA 0.546 4.879 4.340 -0.011 0.000 0.288 529 R C 0.817 177.303 176.300 0.310 0.000 1.039 529 R CA 0.254 56.511 56.100 0.261 0.000 0.909 529 R CB 1.190 31.701 30.300 0.351 0.000 1.195 529 R HN 0.880 nan 8.270 nan 0.000 0.438 530 G N 2.331 111.236 108.800 0.175 0.000 2.672 530 G HA2 -0.478 3.475 3.960 -0.011 0.000 0.324 530 G HA3 -0.478 3.475 3.960 -0.011 0.000 0.324 530 G C 0.864 175.869 174.900 0.175 0.000 1.286 530 G CA 0.795 45.979 45.100 0.140 0.000 1.004 530 G HN 0.806 nan 8.290 nan 0.000 0.548 531 A N -0.640 122.343 122.820 0.270 0.000 2.125 531 A HA 0.184 4.497 4.320 -0.011 0.000 0.219 531 A C 1.320 179.015 177.584 0.185 0.000 1.156 531 A CA 2.150 54.321 52.037 0.223 0.000 0.671 531 A CB -0.352 18.821 19.000 0.288 0.000 0.794 531 A HN 1.396 nan 8.150 nan 0.000 0.459 532 H N 0.986 120.151 119.070 0.159 0.000 2.761 532 H HA 0.450 4.999 4.556 -0.011 0.000 0.284 532 H C -0.675 174.635 175.328 -0.030 0.000 1.105 532 H CA -0.278 55.752 56.048 -0.031 0.000 1.352 532 H CB 0.111 29.745 29.762 -0.214 0.000 1.423 532 H HN 0.162 nan 8.280 nan 0.000 0.464 533 Q N 4.809 124.363 119.800 -0.411 0.000 2.330 533 Q HA 0.413 4.746 4.340 -0.011 0.000 0.269 533 Q C -0.397 175.411 176.000 -0.320 0.000 1.022 533 Q CA -0.638 54.974 55.803 -0.318 0.000 0.796 533 Q CB 2.316 30.907 28.738 -0.245 0.000 1.271 533 Q HN 0.739 nan 8.270 nan 0.000 0.450 534 R N 1.763 122.107 120.500 -0.261 0.000 2.711 534 R HA 0.517 4.850 4.340 -0.011 0.000 0.284 534 R C 0.988 177.238 176.300 -0.084 0.000 0.968 534 R CA -0.538 55.453 56.100 -0.182 0.000 0.924 534 R CB 1.534 31.712 30.300 -0.203 0.000 1.162 534 R HN 0.464 nan 8.270 nan 0.000 0.465 535 L N 0.763 121.936 121.223 -0.084 0.000 2.463 535 L HA 0.054 4.387 4.340 -0.011 0.000 0.219 535 L C 0.398 177.235 176.870 -0.054 0.000 1.088 535 L CA 0.126 54.911 54.840 -0.092 0.000 0.849 535 L CB -0.188 41.783 42.059 -0.146 0.000 1.012 535 L HN 0.702 nan 8.230 nan 0.000 0.468 536 D N 1.535 121.911 120.400 -0.041 0.000 2.414 536 D HA -0.102 4.531 4.640 -0.011 0.000 0.242 536 D C 0.210 176.501 176.300 -0.015 0.000 1.129 536 D CA -0.183 53.804 54.000 -0.021 0.000 0.885 536 D CB 0.891 41.684 40.800 -0.013 0.000 1.198 536 D HN 0.082 nan 8.370 nan 0.000 0.437 537 E N 0.733 120.930 120.200 -0.005 0.000 2.765 537 E HA 0.047 4.391 4.350 -0.011 0.000 0.256 537 E C 0.943 177.547 176.600 0.007 0.000 0.935 537 E CA 0.991 57.392 56.400 0.002 0.000 0.954 537 E CB -0.260 29.444 29.700 0.007 0.000 0.908 537 E HN 0.791 nan 8.360 nan 0.000 0.500 538 G N 2.963 111.768 108.800 0.010 0.000 2.176 538 G HA2 -0.284 3.669 3.960 -0.011 0.000 0.253 538 G HA3 -0.284 3.669 3.960 -0.011 0.000 0.253 538 G C 0.562 175.471 174.900 0.015 0.000 0.979 538 G CA 0.133 45.244 45.100 0.019 0.000 0.641 538 G HN 0.628 nan 8.290 nan 0.000 0.530 539 C N -0.198 119.100 119.300 -0.005 0.000 3.919 539 C HA 0.284 4.737 4.460 -0.011 0.000 0.422 539 C C 2.649 177.618 174.990 -0.035 0.000 1.533 539 C CA 1.285 60.285 59.018 -0.030 0.000 2.014 539 C CB -0.231 27.479 27.740 -0.050 0.000 2.967 539 C HN 0.887 nan 8.230 nan 0.000 0.692 540 T N -0.723 113.819 114.554 -0.021 0.000 3.139 540 T HA -0.032 4.311 4.350 -0.011 0.000 0.267 540 T C 0.276 174.979 174.700 0.005 0.000 1.164 540 T CA 1.288 63.381 62.100 -0.013 0.000 1.075 540 T CB -0.065 68.802 68.868 -0.003 0.000 0.904 540 T HN 0.653 nan 8.240 nan 0.000 0.540 541 E N 0.015 120.222 120.200 0.011 0.000 2.378 541 E HA 0.500 4.843 4.350 -0.011 0.000 0.265 541 E C -0.759 175.863 176.600 0.038 0.000 0.932 541 E CA -1.236 55.180 56.400 0.026 0.000 0.795 541 E CB 1.729 31.446 29.700 0.028 0.000 1.296 541 E HN 0.074 nan 8.360 nan 0.000 0.438 542 R N 1.424 121.953 120.500 0.049 0.000 2.298 542 R HA 0.061 4.394 4.340 -0.011 0.000 0.310 542 R C -1.037 175.304 176.300 0.068 0.000 1.068 542 R CA -0.069 56.072 56.100 0.069 0.000 0.957 542 R CB 0.416 30.758 30.300 0.070 0.000 1.003 542 R HN 0.329 nan 8.270 nan 0.000 0.454 543 D N 3.164 123.629 120.400 0.110 0.000 2.477 543 D HA 0.110 4.744 4.640 -0.011 0.000 0.239 543 D C -0.529 175.842 176.300 0.119 0.000 1.102 543 D CA -0.446 53.632 54.000 0.129 0.000 0.901 543 D CB 1.062 41.999 40.800 0.229 0.000 1.026 543 D HN 0.438 nan 8.370 nan 0.000 0.515 544 D N 2.260 122.686 120.400 0.043 0.000 2.349 544 D HA -0.007 4.626 4.640 -0.011 0.000 0.224 544 D C 1.738 178.028 176.300 -0.018 0.000 1.029 544 D CA 0.284 54.288 54.000 0.006 0.000 0.879 544 D CB 0.867 41.635 40.800 -0.054 0.000 0.906 544 D HN 0.255 nan 8.370 nan 0.000 0.528 545 V N 0.505 120.412 119.914 -0.013 0.000 2.672 545 V HA 0.008 4.122 4.120 -0.011 0.000 0.242 545 V C 1.755 177.792 176.094 -0.096 0.000 1.059 545 V CA 0.834 63.108 62.300 -0.044 0.000 1.081 545 V CB 0.046 31.851 31.823 -0.030 0.000 0.752 545 V HN 0.160 nan 8.190 nan 0.000 0.472 546 N N -1.046 117.582 118.700 -0.119 0.000 2.348 546 N HA 0.165 4.898 4.740 -0.011 0.000 0.183 546 N C 0.814 175.898 175.510 -0.710 0.000 1.094 546 N CA 0.576 53.409 53.050 -0.361 0.000 0.885 546 N CB 0.661 38.938 38.487 -0.350 0.000 1.065 546 N HN 0.441 nan 8.380 nan 0.000 0.472 547 F N 0.526 120.426 119.950 -0.083 0.000 2.698 547 F HA 0.306 4.826 4.527 -0.012 0.000 0.304 547 F C 0.603 176.371 175.800 -0.054 0.000 1.108 547 F CA -0.462 57.480 58.000 -0.097 0.000 1.263 547 F CB 0.397 39.366 39.000 -0.051 0.000 1.013 547 F HN -0.148 nan 8.300 nan 0.000 0.532 548 L N 3.633 124.876 121.223 0.034 0.000 2.511 548 L HA 0.221 4.554 4.340 -0.011 0.000 0.239 548 L C 0.081 176.926 176.870 -0.041 0.000 1.400 548 L CA 0.408 55.258 54.840 0.017 0.000 1.226 548 L CB -1.517 40.542 42.059 -0.001 0.000 1.475 548 L HN 0.122 nan 8.230 nan 0.000 0.428 549 K N -0.467 119.916 120.400 -0.028 0.000 2.533 549 K HA 0.480 4.793 4.320 -0.011 0.000 0.272 549 K C -1.100 175.528 176.600 0.048 0.000 0.985 549 K CA -0.979 55.286 56.287 -0.037 0.000 0.876 549 K CB 1.132 33.628 32.500 -0.008 0.000 1.452 549 K HN -0.006 nan 8.250 nan 0.000 0.439 550 H N 0.639 119.838 119.070 0.216 0.000 2.505 550 H HA 0.217 4.767 4.556 -0.010 0.000 0.351 550 H C -0.326 175.220 175.328 0.364 0.000 1.151 550 H CA -0.155 56.035 56.048 0.237 0.000 1.339 550 H CB 1.659 31.501 29.762 0.132 0.000 1.483 550 H HN 0.516 nan 8.280 nan 0.000 0.558 551 T N 3.960 118.792 114.554 0.463 0.000 2.771 551 T HA 0.348 4.691 4.350 -0.011 0.000 0.291 551 T C 0.606 175.365 174.700 0.098 0.000 0.954 551 T CA -0.607 61.678 62.100 0.308 0.000 1.045 551 T CB 0.347 69.367 68.868 0.254 0.000 0.917 551 T HN 0.202 nan 8.240 nan 0.000 0.484 552 L N 2.838 124.041 121.223 -0.033 0.000 2.325 552 L HA 0.693 5.026 4.340 -0.011 0.000 0.281 552 L C 0.006 176.824 176.870 -0.088 0.000 1.004 552 L CA -1.069 53.719 54.840 -0.088 0.000 0.823 552 L CB 1.471 43.519 42.059 -0.018 0.000 1.236 552 L HN 0.681 nan 8.230 nan 0.000 0.415 553 A N 4.120 126.839 122.820 -0.168 0.000 2.304 553 A HA 0.809 5.122 4.320 -0.011 0.000 0.314 553 A C -1.107 176.384 177.584 -0.154 0.000 1.187 553 A CA -0.292 51.703 52.037 -0.071 0.000 0.810 553 A CB 0.452 19.416 19.000 -0.060 0.000 1.183 553 A HN 0.490 nan 8.150 nan 0.000 0.487 554 F N 0.698 120.591 119.950 -0.095 0.000 2.523 554 F HA 0.709 5.228 4.527 -0.014 0.000 0.329 554 F C 0.707 176.455 175.800 -0.087 0.000 1.061 554 F CA -0.595 57.355 58.000 -0.083 0.000 0.967 554 F CB 1.921 40.872 39.000 -0.082 0.000 1.218 554 F HN 0.584 nan 8.300 nan 0.000 0.480 555 R N 1.731 122.312 120.500 0.134 0.000 2.435 555 R HA 0.308 4.642 4.340 -0.011 0.000 0.308 555 R C -1.389 174.927 176.300 0.027 0.000 0.975 555 R CA -0.643 55.480 56.100 0.038 0.000 0.867 555 R CB 0.678 30.979 30.300 0.002 0.000 1.171 555 R HN 0.613 nan 8.270 nan 0.000 0.470 556 D N 2.309 122.708 120.400 -0.003 0.000 2.398 556 D HA 0.115 4.748 4.640 -0.011 0.000 0.247 556 D C 1.041 177.325 176.300 -0.026 0.000 1.227 556 D CA 0.066 54.054 54.000 -0.021 0.000 0.980 556 D CB 1.117 41.892 40.800 -0.042 0.000 1.106 556 D HN 0.646 nan 8.370 nan 0.000 0.493 557 A N 0.619 123.422 122.820 -0.030 0.000 2.121 557 A HA -0.162 4.152 4.320 -0.011 0.000 0.218 557 A C 1.185 178.754 177.584 -0.025 0.000 1.154 557 A CA 1.270 53.289 52.037 -0.030 0.000 0.679 557 A CB -0.343 18.639 19.000 -0.030 0.000 0.795 557 A HN 0.553 nan 8.150 nan 0.000 0.458 558 D N -1.867 118.518 120.400 -0.025 0.000 2.349 558 D HA 0.239 4.872 4.640 -0.011 0.000 0.224 558 D C 1.166 177.455 176.300 -0.018 0.000 1.029 558 D CA 0.798 54.786 54.000 -0.021 0.000 0.879 558 D CB -0.686 40.099 40.800 -0.024 0.000 0.906 558 D HN 0.710 nan 8.370 nan 0.000 0.528 559 G N 0.298 109.086 108.800 -0.021 0.000 2.159 559 G HA2 -0.256 3.697 3.960 -0.011 0.000 0.256 559 G HA3 -0.256 3.697 3.960 -0.011 0.000 0.256 559 G C 0.361 175.245 174.900 -0.027 0.000 0.977 559 G CA 0.458 45.546 45.100 -0.019 0.000 0.652 559 G HN 0.669 nan 8.290 nan 0.000 0.531 560 T N -0.661 113.869 114.554 -0.041 0.000 2.882 560 T HA 0.591 4.934 4.350 -0.011 0.000 0.287 560 T C 0.051 174.694 174.700 -0.095 0.000 0.992 560 T CA 0.033 62.090 62.100 -0.071 0.000 1.076 560 T CB 2.114 70.938 68.868 -0.073 0.000 0.961 560 T HN 0.195 nan 8.240 nan 0.000 0.490 561 T N 4.188 118.636 114.554 -0.178 0.000 2.811 561 T HA 0.333 4.677 4.350 -0.011 0.000 0.309 561 T C 0.316 174.875 174.700 -0.235 0.000 1.005 561 T CA -0.597 61.383 62.100 -0.200 0.000 0.955 561 T CB 0.000 68.712 68.868 -0.260 0.000 0.970 561 T HN 0.447 nan 8.240 nan 0.000 0.496 562 R N 2.677 123.116 120.500 -0.102 0.000 2.474 562 R HA 0.619 4.952 4.340 -0.011 0.000 0.295 562 R C -0.374 175.915 176.300 -0.019 0.000 0.980 562 R CA -0.779 55.266 56.100 -0.092 0.000 0.934 562 R CB 1.378 31.608 30.300 -0.116 0.000 1.101 562 R HN 0.460 nan 8.270 nan 0.000 0.469 563 L N 1.554 122.730 121.223 -0.078 0.000 2.334 563 L HA 0.518 4.852 4.340 -0.011 0.000 0.275 563 L C 0.108 176.857 176.870 -0.202 0.000 1.036 563 L CA -0.567 54.194 54.840 -0.132 0.000 0.807 563 L CB 1.541 43.457 42.059 -0.238 0.000 1.231 563 L HN 0.570 nan 8.230 nan 0.000 0.438 564 E N 0.450 120.512 120.200 -0.229 0.000 2.429 564 E HA 0.534 4.877 4.350 -0.011 0.000 0.276 564 E C -1.913 174.498 176.600 -0.316 0.000 0.953 564 E CA -0.726 55.571 56.400 -0.171 0.000 0.787 564 E CB 2.900 32.649 29.700 0.082 0.000 1.307 564 E HN 0.329 nan 8.360 nan 0.000 0.458 565 Y N 0.038 120.409 120.300 0.118 0.000 2.462 565 Y HA 0.430 4.974 4.550 -0.010 0.000 0.346 565 Y C 0.005 175.969 175.900 0.107 0.000 0.976 565 Y CA -0.712 57.459 58.100 0.117 0.000 1.044 565 Y CB 2.279 40.789 38.460 0.082 0.000 1.230 565 Y HN 0.475 nan 8.280 nan 0.000 0.455 566 S N 0.294 116.181 115.700 0.312 0.000 2.634 566 S HA 0.536 4.999 4.470 -0.011 0.000 0.296 566 S C -1.371 173.356 174.600 0.211 0.000 1.104 566 S CA -1.148 57.189 58.200 0.228 0.000 0.920 566 S CB 2.053 65.378 63.200 0.208 0.000 1.111 566 S HN 0.499 nan 8.310 nan 0.000 0.493 567 D N 0.738 121.229 120.400 0.151 0.000 2.329 567 D HA 0.433 5.066 4.640 -0.011 0.000 0.246 567 D C -0.381 175.981 176.300 0.104 0.000 1.111 567 D CA -0.204 53.848 54.000 0.087 0.000 0.941 567 D CB 1.620 42.457 40.800 0.062 0.000 1.169 567 D HN 0.401 nan 8.370 nan 0.000 0.441 568 V N 1.817 121.734 119.914 0.005 0.000 2.383 568 V HA 0.110 4.223 4.120 -0.011 0.000 0.275 568 V C 0.378 176.515 176.094 0.073 0.000 1.036 568 V CA -0.870 61.437 62.300 0.011 0.000 0.889 568 V CB 1.232 32.988 31.823 -0.112 0.000 0.985 568 V HN 0.353 nan 8.190 nan 0.000 0.459 569 K N 5.886 126.351 120.400 0.109 0.000 2.382 569 K HA 0.201 4.514 4.320 -0.011 0.000 0.286 569 K C -0.480 176.187 176.600 0.112 0.000 1.062 569 K CA 0.177 56.523 56.287 0.098 0.000 1.000 569 K CB -0.181 32.375 32.500 0.094 0.000 0.954 569 K HN 0.473 nan 8.250 nan 0.000 0.470 570 I N 4.199 124.837 120.570 0.114 0.000 2.566 570 I HA 0.212 4.375 4.170 -0.011 0.000 0.303 570 I C 1.274 177.478 176.117 0.144 0.000 0.983 570 I CA -0.204 61.185 61.300 0.148 0.000 1.235 570 I CB 1.255 39.339 38.000 0.140 0.000 1.386 570 I HN 0.978 nan 8.210 nan 0.000 0.494 571 T N -0.918 113.746 114.554 0.183 0.000 3.409 571 T HA 0.015 4.358 4.350 -0.011 0.000 0.242 571 T C 1.075 175.857 174.700 0.136 0.000 1.000 571 T CA 0.770 62.956 62.100 0.143 0.000 1.180 571 T CB 0.154 69.103 68.868 0.136 0.000 1.210 571 T HN 0.558 nan 8.240 nan 0.000 0.373 572 T N -0.843 113.819 114.554 0.180 0.000 3.004 572 T HA 0.472 4.816 4.350 -0.011 0.000 0.266 572 T C -0.057 174.792 174.700 0.249 0.000 0.986 572 T CA -0.336 61.858 62.100 0.158 0.000 0.902 572 T CB 0.209 69.123 68.868 0.077 0.000 1.118 572 T HN 0.265 nan 8.240 nan 0.000 0.522 573 L N 4.211 125.641 121.223 0.344 0.000 2.408 573 L HA 0.557 4.891 4.340 -0.011 0.000 0.257 573 L C -2.724 174.402 176.870 0.426 0.000 1.053 573 L CA -2.410 52.674 54.840 0.407 0.000 0.922 573 L CB 1.405 43.751 42.059 0.479 0.000 1.261 573 L HN -0.089 nan 8.230 nan 0.000 0.458 574 P HA 0.282 nan 4.420 nan 0.000 0.274 574 P C -2.760 174.537 177.300 -0.004 0.000 1.231 574 P CA -1.447 61.746 63.100 0.155 0.000 0.790 574 P CB 0.248 31.993 31.700 0.076 0.000 0.951 575 P HA 0.245 nan 4.420 nan 0.000 0.274 575 P C -2.069 174.869 177.300 -0.603 0.000 1.470 575 P CA -0.262 62.260 63.100 -0.963 0.000 1.001 575 P CB 1.023 32.287 31.700 -0.727 0.000 1.332 576 A N 0.000 122.477 122.820 -0.571 0.000 2.254 576 A HA 0.000 4.313 4.320 -0.011 0.000 0.244 576 A CA 0.000 51.846 52.037 -0.319 0.000 0.836 576 A CB 0.000 18.911 19.000 -0.148 0.000 0.831 576 A HN 0.000 nan 8.150 nan 0.000 0.486