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 2guy_1_A DATA FIRST_RESID 1 DATA SEQUENCE ATPADWRSQS IYFLLTDRFA RTDGSTTATc NTADQKYcGG TWQGIIDKLD DATA SEQUENCE YIQGMGFTAI WITPVTAQLP QTTAYGDAYH GYWQQDIYSL NENYGTADDL DATA SEQUENCE KALSSALHER GMYLMVDVVA NHMGYDGAGS SVDYSVFKPF SSQDYFHPFc DATA SEQUENCE FIQNYEDQTQ VEDcWLGDNT VSLPDLDTTK DVVKNEWYDW VGSLVSNYSI DATA SEQUENCE DGLRIDTVKH VQKDFWPGYN KAAGVYCIGE VLDGDPAYTc PYQNVMDGVL DATA SEQUENCE NYPIYYPLLN AFKSTSGSMD DLYNMINTVK SDcPDSTLLG TFVENHDNPR DATA SEQUENCE FASYTNDIAL AKNVAAFIIL NDGIPIIYAG QEQHYAGGND PANREATWLS DATA SEQUENCE GYPTDSELYK LIASANAIRN YAISKDTGFV TYKNWPIYKD DTTIAMRKGT DATA SEQUENCE DGSQIVTILS NKGASGDSYT LSLSGAGYTA GQQLTEVIGC TTVTVGSDGN DATA SEQUENCE VPVPMAGGLP RVLYPTEKLA GSKICS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.701 177.584 0.194 0.000 1.274 1 A CA 0.000 51.997 52.037 -0.067 0.000 0.836 1 A CB 0.000 18.655 19.000 -0.574 0.000 0.831 2 T N -0.169 114.477 114.554 0.153 0.000 2.849 2 T HA 0.567 4.892 4.350 -0.042 0.000 0.284 2 T C -1.758 173.104 174.700 0.269 0.000 1.004 2 T CA -1.135 61.077 62.100 0.186 0.000 1.021 2 T CB 0.757 69.685 68.868 0.100 0.000 1.013 2 T HN 0.228 nan 8.240 nan 0.000 0.527 3 P HA -0.109 nan 4.420 nan 0.000 0.216 3 P C 1.666 178.994 177.300 0.047 0.000 1.153 3 P CA 1.712 64.885 63.100 0.120 0.000 0.858 3 P CB -0.328 31.492 31.700 0.200 0.000 0.789 4 A N -0.203 122.660 122.820 0.072 0.000 1.933 4 A HA -0.223 4.072 4.320 -0.042 0.000 0.218 4 A C 1.987 179.600 177.584 0.049 0.000 1.175 4 A CA 2.026 54.093 52.037 0.050 0.000 0.628 4 A CB -1.374 17.652 19.000 0.044 0.000 0.814 4 A HN 0.108 nan 8.150 nan 0.000 0.444 5 D N -1.332 119.108 120.400 0.067 0.000 2.178 5 D HA -0.160 4.455 4.640 -0.042 0.000 0.201 5 D C 1.532 177.845 176.300 0.022 0.000 0.980 5 D CA 0.967 54.995 54.000 0.048 0.000 0.842 5 D CB -0.345 40.489 40.800 0.057 0.000 0.948 5 D HN 0.753 nan 8.370 nan 0.000 0.472 6 W N 1.359 122.633 121.300 -0.042 0.000 2.584 6 W HA 0.073 4.713 4.660 -0.033 0.000 0.264 6 W C 2.454 178.887 176.519 -0.143 0.000 1.264 6 W CA 0.078 57.345 57.345 -0.130 0.000 1.306 6 W CB 0.005 29.110 29.460 -0.591 0.000 1.110 6 W HN -0.109 nan 8.180 nan 0.000 0.606 7 R N 0.073 120.608 120.500 0.059 0.000 2.117 7 R HA -0.174 4.141 4.340 -0.042 0.000 0.243 7 R C 2.114 178.465 176.300 0.085 0.000 1.143 7 R CA 1.878 58.013 56.100 0.057 0.000 0.968 7 R CB -0.887 29.441 30.300 0.047 0.000 0.863 7 R HN 0.193 nan 8.270 nan 0.000 0.444 8 S N 0.164 115.894 115.700 0.050 0.000 2.562 8 S HA 0.028 4.473 4.470 -0.042 0.000 0.221 8 S C 0.706 175.314 174.600 0.014 0.000 0.975 8 S CA -0.057 58.163 58.200 0.034 0.000 0.918 8 S CB 0.173 63.358 63.200 -0.025 0.000 0.772 8 S HN 0.080 nan 8.310 nan 0.000 0.531 9 Q N 1.553 121.379 119.800 0.043 0.000 2.317 9 Q HA 0.536 4.851 4.340 -0.042 0.000 0.229 9 Q C -0.602 175.501 176.000 0.171 0.000 0.984 9 Q CA -0.029 55.799 55.803 0.042 0.000 0.911 9 Q CB 1.310 30.079 28.738 0.052 0.000 1.217 9 Q HN 0.301 nan 8.270 nan 0.000 0.501 10 S N 0.764 116.590 115.700 0.209 0.000 2.672 10 S HA 0.605 5.050 4.470 -0.042 0.000 0.291 10 S C -0.944 173.970 174.600 0.523 0.000 1.145 10 S CA -0.616 57.781 58.200 0.328 0.000 1.013 10 S CB 0.437 63.753 63.200 0.193 0.000 1.017 10 S HN 0.449 nan 8.310 nan 0.000 0.487 11 I N 4.550 125.431 120.570 0.519 0.000 2.377 11 I HA 0.359 4.504 4.170 -0.042 0.000 0.293 11 I C -1.001 175.177 176.117 0.101 0.000 0.987 11 I CA -0.878 60.666 61.300 0.407 0.000 1.185 11 I CB 1.469 39.745 38.000 0.461 0.000 1.341 11 I HN 0.670 nan 8.210 nan 0.000 0.455 12 Y N 7.465 127.548 120.300 -0.361 0.000 2.353 12 Y HA 0.378 4.903 4.550 -0.041 0.000 0.340 12 Y C -0.822 174.949 175.900 -0.214 0.000 0.972 12 Y CA -0.785 56.907 58.100 -0.679 0.000 1.157 12 Y CB 0.806 38.671 38.460 -0.992 0.000 1.157 12 Y HN 0.424 nan 8.280 nan 0.000 0.495 13 F N 8.628 128.215 119.950 -0.605 0.000 2.408 13 F HA 0.657 5.159 4.527 -0.043 0.000 0.344 13 F C -1.779 173.602 175.800 -0.698 0.000 1.112 13 F CA -1.436 56.151 58.000 -0.689 0.000 1.096 13 F CB 0.623 39.009 39.000 -1.023 0.000 1.129 13 F HN 0.406 nan 8.300 nan 0.000 0.486 14 L N 4.163 124.809 121.223 -0.961 0.000 2.424 14 L HA 0.683 4.998 4.340 -0.042 0.000 0.258 14 L C -1.941 174.545 176.870 -0.640 0.000 0.995 14 L CA -1.177 53.183 54.840 -0.801 0.000 0.821 14 L CB 1.477 43.232 42.059 -0.507 0.000 1.383 14 L HN 0.451 nan 8.230 nan 0.000 0.410 15 L N 1.505 122.506 121.223 -0.370 0.000 2.265 15 L HA 0.459 4.774 4.340 -0.042 0.000 0.288 15 L C 1.451 178.313 176.870 -0.013 0.000 1.058 15 L CA 0.525 55.281 54.840 -0.139 0.000 0.809 15 L CB 1.251 43.316 42.059 0.009 0.000 1.179 15 L HN 0.913 nan 8.230 nan 0.000 0.429 16 T N 0.537 115.033 114.554 -0.097 0.000 2.759 16 T HA -0.207 4.118 4.350 -0.042 0.000 0.269 16 T C 1.333 176.020 174.700 -0.022 0.000 1.042 16 T CA 1.804 63.808 62.100 -0.160 0.000 1.140 16 T CB -0.089 68.396 68.868 -0.638 0.000 0.864 16 T HN 0.706 nan 8.240 nan 0.000 0.455 17 D N 0.290 120.743 120.400 0.090 0.000 2.310 17 D HA -0.055 4.560 4.640 -0.042 0.000 0.212 17 D C 1.994 178.512 176.300 0.363 0.000 0.965 17 D CA 0.661 54.865 54.000 0.341 0.000 0.879 17 D CB 0.214 41.295 40.800 0.470 0.000 0.921 17 D HN 0.070 nan 8.370 nan 0.000 0.510 18 R N -1.128 119.534 120.500 0.270 0.000 2.476 18 R HA 0.121 4.436 4.340 -0.042 0.000 0.276 18 R C 1.013 177.409 176.300 0.160 0.000 0.941 18 R CA -0.153 56.009 56.100 0.102 0.000 1.088 18 R CB -0.416 29.875 30.300 -0.016 0.000 1.216 18 R HN 0.245 nan 8.270 nan 0.000 0.533 19 F N 1.035 121.126 119.950 0.234 0.000 2.188 19 F HA 0.415 4.917 4.527 -0.042 0.000 0.289 19 F C 0.107 176.243 175.800 0.560 0.000 1.082 19 F CA 0.405 58.574 58.000 0.282 0.000 1.282 19 F CB 0.405 39.527 39.000 0.203 0.000 1.060 19 F HN -0.108 nan 8.300 nan 0.000 0.493 20 A N 0.633 123.670 122.820 0.360 0.000 2.491 20 A HA 0.601 4.896 4.320 -0.042 0.000 0.293 20 A C -0.781 176.804 177.584 0.002 0.000 1.047 20 A CA -0.814 51.290 52.037 0.111 0.000 0.735 20 A CB 0.864 19.807 19.000 -0.095 0.000 1.281 20 A HN 0.250 nan 8.150 nan 0.000 0.398 21 R N 0.950 121.250 120.500 -0.332 0.000 2.560 21 R HA 0.462 4.777 4.340 -0.042 0.000 0.270 21 R C 0.935 177.123 176.300 -0.187 0.000 1.074 21 R CA -0.044 55.845 56.100 -0.352 0.000 1.140 21 R CB 0.539 30.459 30.300 -0.633 0.000 1.073 21 R HN 0.724 nan 8.270 nan 0.000 0.527 22 T N 1.070 115.549 114.554 -0.125 0.000 2.720 22 T HA -0.173 4.152 4.350 -0.042 0.000 0.268 22 T C 1.120 175.764 174.700 -0.094 0.000 1.037 22 T CA 2.004 64.061 62.100 -0.072 0.000 1.144 22 T CB -0.303 68.537 68.868 -0.047 0.000 0.864 22 T HN 0.749 nan 8.240 nan 0.000 0.444 23 D N 0.554 120.872 120.400 -0.136 0.000 2.363 23 D HA 0.141 4.756 4.640 -0.042 0.000 0.226 23 D C 1.506 177.724 176.300 -0.137 0.000 1.020 23 D CA 0.789 54.714 54.000 -0.125 0.000 0.892 23 D CB -0.928 39.796 40.800 -0.127 0.000 0.900 23 D HN 0.450 nan 8.370 nan 0.000 0.531 24 G N -0.093 108.605 108.800 -0.170 0.000 2.166 24 G HA2 -0.320 3.615 3.960 -0.042 0.000 0.260 24 G HA3 -0.320 3.615 3.960 -0.042 0.000 0.260 24 G C 0.344 175.160 174.900 -0.140 0.000 0.986 24 G CA 0.509 45.525 45.100 -0.140 0.000 0.683 24 G HN 0.667 nan 8.290 nan 0.000 0.527 25 S N -0.021 115.534 115.700 -0.242 0.000 2.549 25 S HA 0.431 4.876 4.470 -0.042 0.000 0.286 25 S C 1.689 176.179 174.600 -0.184 0.000 1.314 25 S CA 1.194 59.265 58.200 -0.214 0.000 1.062 25 S CB 0.594 63.628 63.200 -0.276 0.000 0.865 25 S HN 1.173 nan 8.310 nan 0.000 0.498 26 T N 0.274 114.824 114.554 -0.007 0.000 3.134 26 T HA 0.168 4.493 4.350 -0.042 0.000 0.260 26 T C 1.108 175.917 174.700 0.182 0.000 1.027 26 T CA 0.338 62.515 62.100 0.128 0.000 0.913 26 T CB -0.150 68.764 68.868 0.078 0.000 1.046 26 T HN 0.691 nan 8.240 nan 0.000 0.553 27 T N -1.909 112.716 114.554 0.118 0.000 2.975 27 T HA 0.580 4.905 4.350 -0.042 0.000 0.261 27 T C 1.002 175.788 174.700 0.143 0.000 0.984 27 T CA 0.171 62.339 62.100 0.113 0.000 0.911 27 T CB -0.154 68.741 68.868 0.044 0.000 1.127 27 T HN 0.482 nan 8.240 nan 0.000 0.514 28 A N 2.565 125.458 122.820 0.122 0.000 2.567 28 A HA 0.423 4.718 4.320 -0.042 0.000 0.240 28 A C 0.718 178.495 177.584 0.322 0.000 1.053 28 A CA 0.095 52.212 52.037 0.135 0.000 0.755 28 A CB -0.572 18.393 19.000 -0.058 0.000 0.978 28 A HN 0.436 nan 8.150 nan 0.000 0.507 29 T N 1.664 116.321 114.554 0.173 0.000 2.933 29 T HA 0.224 4.549 4.350 -0.042 0.000 0.306 29 T C 0.049 174.846 174.700 0.162 0.000 1.045 29 T CA 0.665 62.841 62.100 0.127 0.000 1.143 29 T CB 0.020 68.928 68.868 0.066 0.000 1.003 29 T HN 0.951 nan 8.240 nan 0.000 0.540 30 c N 6.204 124.832 118.600 0.047 0.000 2.919 30 c HA 0.375 4.920 4.570 -0.042 0.000 0.337 30 c C -0.314 173.714 174.090 -0.105 0.000 1.039 30 c CA -1.206 55.107 56.329 -0.027 0.000 1.373 30 c CB -0.462 41.960 42.510 -0.147 0.000 1.843 30 c HN 0.902 nan 8.230 nan 0.000 0.493 31 N N 2.677 121.331 118.700 -0.076 0.000 2.437 31 N HA 0.135 4.850 4.740 -0.042 0.000 0.243 31 N C 1.317 176.762 175.510 -0.108 0.000 1.041 31 N CA 0.566 53.566 53.050 -0.083 0.000 0.940 31 N CB 1.723 40.182 38.487 -0.047 0.000 1.133 31 N HN 0.808 nan 8.380 nan 0.000 0.506 32 T N 1.094 115.573 114.554 -0.126 0.000 2.833 32 T HA -0.098 4.227 4.350 -0.042 0.000 0.269 32 T C 1.734 176.385 174.700 -0.082 0.000 1.054 32 T CA 1.078 63.098 62.100 -0.133 0.000 1.135 32 T CB -0.211 68.590 68.868 -0.112 0.000 0.869 32 T HN 0.408 nan 8.240 nan 0.000 0.466 33 A N 1.994 124.783 122.820 -0.052 0.000 2.019 33 A HA -0.070 4.225 4.320 -0.042 0.000 0.219 33 A C 2.074 179.661 177.584 0.006 0.000 1.164 33 A CA 1.538 53.566 52.037 -0.015 0.000 0.644 33 A CB -0.649 18.342 19.000 -0.014 0.000 0.805 33 A HN 0.449 nan 8.150 nan 0.000 0.449 34 D N -0.791 119.600 120.400 -0.014 0.000 2.269 34 D HA -0.028 4.587 4.640 -0.042 0.000 0.208 34 D C 0.401 176.715 176.300 0.024 0.000 0.963 34 D CA 0.702 54.708 54.000 0.009 0.000 0.864 34 D CB -0.260 40.537 40.800 -0.005 0.000 0.936 34 D HN 0.564 nan 8.370 nan 0.000 0.505 35 Q N -0.810 118.969 119.800 -0.034 0.000 2.475 35 Q HA -0.217 4.098 4.340 -0.042 0.000 0.280 35 Q C -0.429 175.558 176.000 -0.022 0.000 1.234 35 Q CA 0.802 56.603 55.803 -0.004 0.000 0.873 35 Q CB -1.235 27.647 28.738 0.240 0.000 1.256 35 Q HN 0.320 nan 8.270 nan 0.000 0.475 36 K N -0.382 119.935 120.400 -0.138 0.000 2.238 36 K HA 0.442 4.737 4.320 -0.042 0.000 0.239 36 K C -0.592 175.940 176.600 -0.113 0.000 0.987 36 K CA -0.934 55.330 56.287 -0.038 0.000 0.857 36 K CB 0.742 33.272 32.500 0.050 0.000 1.154 36 K HN -0.034 nan 8.250 nan 0.000 0.439 37 Y N 0.236 120.565 120.300 0.049 0.000 2.721 37 Y HA -0.140 4.385 4.550 -0.042 0.000 0.329 37 Y C 1.042 176.971 175.900 0.048 0.000 1.211 37 Y CA 0.073 58.214 58.100 0.069 0.000 1.512 37 Y CB 0.208 38.707 38.460 0.065 0.000 1.249 37 Y HN 0.572 nan 8.280 nan 0.000 0.549 38 c N 1.213 119.960 118.600 0.244 0.000 2.912 38 c HA 0.325 4.870 4.570 -0.042 0.000 0.274 38 c C 1.648 175.931 174.090 0.320 0.000 1.248 38 c CA 0.472 56.966 56.329 0.275 0.000 1.694 38 c CB -0.579 42.108 42.510 0.295 0.000 2.024 38 c HN 1.209 nan 8.230 nan 0.000 0.605 39 G N 0.386 109.361 108.800 0.290 0.000 2.154 39 G HA2 -0.030 3.905 3.960 -0.042 0.000 0.186 39 G HA3 -0.030 3.905 3.960 -0.042 0.000 0.186 39 G C 0.315 175.269 174.900 0.089 0.000 1.000 39 G CA -0.133 45.042 45.100 0.125 0.000 0.664 39 G HN 0.759 nan 8.290 nan 0.000 0.513 40 G N 0.239 109.201 108.800 0.270 0.000 2.491 40 G HA2 0.621 4.556 3.960 -0.042 0.000 0.238 40 G HA3 0.621 4.556 3.960 -0.042 0.000 0.238 40 G C 0.423 175.407 174.900 0.140 0.000 1.277 40 G CA 1.337 46.582 45.100 0.242 0.000 0.851 40 G HN 1.526 nan 8.290 nan 0.000 0.573 41 T N -1.603 112.991 114.554 0.068 0.000 2.865 41 T HA 0.359 4.684 4.350 -0.042 0.000 0.294 41 T C 0.643 175.369 174.700 0.043 0.000 1.119 41 T CA -0.916 61.166 62.100 -0.029 0.000 1.007 41 T CB 1.346 70.210 68.868 -0.007 0.000 1.225 41 T HN 0.496 nan 8.240 nan 0.000 0.515 42 W N 0.379 121.754 121.300 0.125 0.000 2.358 42 W HA -0.035 4.600 4.660 -0.041 0.000 0.303 42 W C 2.394 178.965 176.519 0.088 0.000 1.208 42 W CA 1.181 58.580 57.345 0.089 0.000 1.274 42 W CB -1.056 28.450 29.460 0.076 0.000 1.138 42 W HN 0.783 nan 8.180 nan 0.000 0.515 43 Q N 0.507 120.476 119.800 0.282 0.000 2.124 43 Q HA -0.081 4.234 4.340 -0.042 0.000 0.202 43 Q C 2.384 178.465 176.000 0.135 0.000 0.977 43 Q CA 2.460 58.368 55.803 0.175 0.000 0.850 43 Q CB -1.092 27.717 28.738 0.118 0.000 0.901 43 Q HN 0.160 nan 8.270 nan 0.000 0.429 44 G N 0.562 109.436 108.800 0.122 0.000 2.440 44 G HA2 -0.248 3.687 3.960 -0.042 0.000 0.218 44 G HA3 -0.248 3.687 3.960 -0.042 0.000 0.218 44 G C 1.456 176.468 174.900 0.187 0.000 1.154 44 G CA 1.097 46.256 45.100 0.097 0.000 0.767 44 G HN 0.444 nan 8.290 nan 0.000 0.552 45 I N 0.568 121.321 120.570 0.305 0.000 2.179 45 I HA -0.157 3.988 4.170 -0.042 0.000 0.242 45 I C 2.676 178.943 176.117 0.251 0.000 1.088 45 I CA 0.801 62.340 61.300 0.398 0.000 1.357 45 I CB -0.245 37.945 38.000 0.318 0.000 1.051 45 I HN 0.150 nan 8.210 nan 0.000 0.409 46 I N 0.763 121.441 120.570 0.180 0.000 2.194 46 I HA -0.329 3.816 4.170 -0.042 0.000 0.246 46 I C 1.821 177.993 176.117 0.092 0.000 1.093 46 I CA 1.469 62.840 61.300 0.119 0.000 1.355 46 I CB -0.508 37.553 38.000 0.101 0.000 1.046 46 I HN 0.262 nan 8.210 nan 0.000 0.413 47 D N 0.597 121.042 120.400 0.074 0.000 2.348 47 D HA -0.080 4.535 4.640 -0.042 0.000 0.216 47 D C 1.470 177.765 176.300 -0.008 0.000 0.970 47 D CA 0.878 54.891 54.000 0.022 0.000 0.889 47 D CB 0.013 40.809 40.800 -0.008 0.000 0.912 47 D HN 0.218 nan 8.370 nan 0.000 0.524 48 K N 0.238 120.663 120.400 0.042 0.000 2.455 48 K HA 0.232 4.527 4.320 -0.042 0.000 0.206 48 K C 1.729 178.437 176.600 0.180 0.000 1.027 48 K CA -0.205 56.097 56.287 0.025 0.000 1.113 48 K CB 0.506 32.920 32.500 -0.143 0.000 0.850 48 K HN 0.180 nan 8.250 nan 0.000 0.503 49 L N 0.650 121.954 121.223 0.134 0.000 2.131 49 L HA -0.203 4.112 4.340 -0.042 0.000 0.210 49 L C 1.445 178.372 176.870 0.095 0.000 1.092 49 L CA 1.175 56.079 54.840 0.106 0.000 0.759 49 L CB -0.200 41.903 42.059 0.074 0.000 0.903 49 L HN 0.130 nan 8.230 nan 0.000 0.435 50 D N -0.752 119.703 120.400 0.091 0.000 2.144 50 D HA -0.244 4.371 4.640 -0.042 0.000 0.199 50 D C 1.883 178.269 176.300 0.143 0.000 0.984 50 D CA 1.281 55.333 54.000 0.088 0.000 0.834 50 D CB -0.144 40.696 40.800 0.067 0.000 0.955 50 D HN 0.363 nan 8.370 nan 0.000 0.465 51 Y N 1.484 121.812 120.300 0.047 0.000 2.181 51 Y HA -0.181 4.345 4.550 -0.040 0.000 0.288 51 Y C 2.181 178.165 175.900 0.141 0.000 1.146 51 Y CA 1.359 59.538 58.100 0.131 0.000 1.164 51 Y CB -0.309 38.191 38.460 0.068 0.000 0.982 51 Y HN -0.106 nan 8.280 nan 0.000 0.515 52 I N 0.037 120.628 120.570 0.037 0.000 2.233 52 I HA -0.279 3.866 4.170 -0.042 0.000 0.243 52 I C 2.559 178.643 176.117 -0.055 0.000 1.093 52 I CA 1.678 62.842 61.300 -0.227 0.000 1.380 52 I CB -0.494 37.324 38.000 -0.304 0.000 1.067 52 I HN 0.252 nan 8.210 nan 0.000 0.413 53 Q N 1.001 120.802 119.800 0.002 0.000 2.224 53 Q HA -0.133 4.182 4.340 -0.042 0.000 0.203 53 Q C 2.137 178.114 176.000 -0.038 0.000 0.970 53 Q CA 1.444 57.251 55.803 0.006 0.000 0.865 53 Q CB -0.175 28.572 28.738 0.014 0.000 0.922 53 Q HN 0.557 nan 8.270 nan 0.000 0.445 54 G N 0.317 109.110 108.800 -0.013 0.000 2.498 54 G HA2 -0.199 3.736 3.960 -0.042 0.000 0.219 54 G HA3 -0.199 3.736 3.960 -0.042 0.000 0.219 54 G C 1.177 175.992 174.900 -0.142 0.000 1.119 54 G CA 0.369 45.478 45.100 0.016 0.000 0.766 54 G HN 0.317 nan 8.290 nan 0.000 0.552 55 M N -0.080 119.305 119.600 -0.357 0.000 2.495 55 M HA 0.241 4.696 4.480 -0.042 0.000 0.237 55 M C 1.744 177.691 176.300 -0.588 0.000 1.131 55 M CA 0.677 55.601 55.300 -0.628 0.000 1.032 55 M CB 0.670 32.843 32.600 -0.711 0.000 1.513 55 M HN 0.333 nan 8.290 nan 0.000 0.488 56 G N 0.432 109.000 108.800 -0.387 0.000 2.157 56 G HA2 -0.235 3.700 3.960 -0.042 0.000 0.239 56 G HA3 -0.235 3.700 3.960 -0.042 0.000 0.239 56 G C -0.076 174.594 174.900 -0.383 0.000 0.982 56 G CA -0.573 44.313 45.100 -0.355 0.000 0.650 56 G HN 0.330 nan 8.290 nan 0.000 0.527 57 F N 1.090 120.974 119.950 -0.109 0.000 2.506 57 F HA 0.445 4.948 4.527 -0.040 0.000 0.351 57 F C 1.922 177.689 175.800 -0.055 0.000 1.136 57 F CA 1.036 59.008 58.000 -0.046 0.000 1.298 57 F CB 1.117 40.111 39.000 -0.010 0.000 1.145 57 F HN 0.121 nan 8.300 nan 0.000 0.593 58 T N -1.170 113.484 114.554 0.166 0.000 3.040 58 T HA 0.711 5.036 4.350 -0.042 0.000 0.266 58 T C 0.003 174.702 174.700 -0.001 0.000 1.005 58 T CA 0.234 62.332 62.100 -0.004 0.000 0.906 58 T CB -0.112 68.676 68.868 -0.134 0.000 1.082 58 T HN 0.757 nan 8.240 nan 0.000 0.531 59 A N 1.421 124.341 122.820 0.167 0.000 2.612 59 A HA 0.768 5.063 4.320 -0.042 0.000 0.293 59 A C -1.328 176.433 177.584 0.294 0.000 1.075 59 A CA -1.201 50.982 52.037 0.243 0.000 0.680 59 A CB 1.099 20.311 19.000 0.353 0.000 1.279 59 A HN 0.789 nan 8.150 nan 0.000 0.411 60 I N -2.545 118.213 120.570 0.314 0.000 2.785 60 I HA 0.877 5.022 4.170 -0.042 0.000 0.302 60 I C -1.169 175.193 176.117 0.408 0.000 1.069 60 I CA -0.803 60.669 61.300 0.287 0.000 1.045 60 I CB 2.142 40.244 38.000 0.169 0.000 1.236 60 I HN 0.822 nan 8.210 nan 0.000 0.429 61 W N 8.384 129.796 121.300 0.186 0.000 2.361 61 W HA 0.735 5.369 4.660 -0.044 0.000 0.314 61 W C -1.340 175.304 176.519 0.207 0.000 1.041 61 W CA -1.969 55.483 57.345 0.178 0.000 1.241 61 W CB 0.716 30.247 29.460 0.119 0.000 1.279 61 W HN 0.648 nan 8.180 nan 0.000 0.436 62 I N 3.816 124.715 120.570 0.548 0.000 2.750 62 I HA 0.723 4.868 4.170 -0.042 0.000 0.308 62 I C 0.658 177.022 176.117 0.413 0.000 1.016 62 I CA -0.760 60.730 61.300 0.318 0.000 1.098 62 I CB 1.842 39.974 38.000 0.219 0.000 1.279 62 I HN 0.414 nan 8.210 nan 0.000 0.454 63 T N 1.437 116.122 114.554 0.219 0.000 2.766 63 T HA 0.387 4.712 4.350 -0.042 0.000 0.295 63 T C -2.442 172.336 174.700 0.130 0.000 1.024 63 T CA -1.266 60.938 62.100 0.173 0.000 1.018 63 T CB 0.163 69.038 68.868 0.012 0.000 1.002 63 T HN 0.472 nan 8.240 nan 0.000 0.532 64 P HA 0.106 nan 4.420 nan 0.000 0.268 64 P C 0.921 178.399 177.300 0.296 0.000 1.208 64 P CA -0.301 62.884 63.100 0.141 0.000 0.777 64 P CB 0.405 32.125 31.700 0.033 0.000 0.875 65 V N -0.819 119.310 119.914 0.358 0.000 3.660 65 V HA 0.097 4.192 4.120 -0.042 0.000 0.276 65 V C 0.608 176.972 176.094 0.451 0.000 1.317 65 V CA 0.486 63.093 62.300 0.512 0.000 1.097 65 V CB -1.113 30.904 31.823 0.324 0.000 0.863 65 V HN 0.550 nan 8.190 nan 0.000 0.438 66 T N 0.381 115.158 114.554 0.371 0.000 2.860 66 T HA 0.660 4.985 4.350 -0.042 0.000 0.299 66 T C 0.449 175.306 174.700 0.261 0.000 1.045 66 T CA 0.228 62.527 62.100 0.332 0.000 1.071 66 T CB 1.186 70.242 68.868 0.315 0.000 0.985 66 T HN 1.031 nan 8.240 nan 0.000 0.537 67 A N 2.596 125.551 122.820 0.226 0.000 2.511 67 A HA 0.377 4.672 4.320 -0.042 0.000 0.242 67 A C 0.610 178.308 177.584 0.190 0.000 1.069 67 A CA -0.462 51.678 52.037 0.171 0.000 0.763 67 A CB -0.034 19.060 19.000 0.157 0.000 1.001 67 A HN 0.803 nan 8.150 nan 0.000 0.498 68 Q N 0.372 120.276 119.800 0.173 0.000 2.252 68 Q HA 0.480 4.795 4.340 -0.042 0.000 0.256 68 Q C -0.270 175.865 176.000 0.224 0.000 1.020 68 Q CA -0.994 54.946 55.803 0.228 0.000 0.913 68 Q CB 1.113 29.982 28.738 0.219 0.000 1.286 68 Q HN 0.801 nan 8.270 nan 0.000 0.480 69 L N -0.063 121.326 121.223 0.277 0.000 2.525 69 L HA 0.145 4.460 4.340 -0.042 0.000 0.278 69 L C -1.756 175.218 176.870 0.173 0.000 1.218 69 L CA -0.293 54.668 54.840 0.201 0.000 0.878 69 L CB -0.366 41.801 42.059 0.180 0.000 1.127 69 L HN 0.376 nan 8.230 nan 0.000 0.492 70 P HA 0.045 nan 4.420 nan 0.000 0.239 70 P C 0.052 177.410 177.300 0.097 0.000 1.188 70 P CA 0.369 63.525 63.100 0.093 0.000 0.794 70 P CB 0.388 32.114 31.700 0.043 0.000 0.937 71 Q N 0.244 120.083 119.800 0.065 0.000 2.421 71 Q HA 0.246 4.561 4.340 -0.042 0.000 0.255 71 Q C 0.081 176.147 176.000 0.110 0.000 1.013 71 Q CA 0.740 56.571 55.803 0.046 0.000 0.895 71 Q CB -0.146 28.572 28.738 -0.033 0.000 1.271 71 Q HN -0.088 nan 8.270 nan 0.000 0.460 72 T N 2.048 116.658 114.554 0.092 0.000 2.728 72 T HA 0.380 4.705 4.350 -0.042 0.000 0.296 72 T C 0.042 174.788 174.700 0.076 0.000 0.940 72 T CA -0.548 61.624 62.100 0.120 0.000 1.013 72 T CB 0.311 69.241 68.868 0.104 0.000 0.912 72 T HN 0.724 nan 8.240 nan 0.000 0.484 73 T N 0.187 114.803 114.554 0.103 0.000 2.910 73 T HA 0.636 4.961 4.350 -0.042 0.000 0.279 73 T C 1.747 176.463 174.700 0.028 0.000 0.989 73 T CA -0.406 61.701 62.100 0.011 0.000 0.968 73 T CB 0.950 69.789 68.868 -0.047 0.000 1.135 73 T HN 0.379 nan 8.240 nan 0.000 0.562 74 A N -0.420 122.346 122.820 -0.090 0.000 2.121 74 A HA 0.079 4.374 4.320 -0.042 0.000 0.218 74 A C 1.164 178.836 177.584 0.145 0.000 1.154 74 A CA 0.786 52.796 52.037 -0.044 0.000 0.679 74 A CB -0.991 17.919 19.000 -0.151 0.000 0.795 74 A HN 0.797 nan 8.150 nan 0.000 0.458 75 Y N -0.246 120.143 120.300 0.149 0.000 2.571 75 Y HA 0.430 4.955 4.550 -0.042 0.000 0.275 75 Y C 1.545 177.649 175.900 0.339 0.000 1.179 75 Y CA -0.479 57.768 58.100 0.245 0.000 1.242 75 Y CB -0.927 37.727 38.460 0.323 0.000 1.126 75 Y HN 0.449 nan 8.280 nan 0.000 0.524 76 G N 0.185 109.217 108.800 0.387 0.000 2.615 76 G HA2 -0.211 3.724 3.960 -0.042 0.000 0.218 76 G HA3 -0.211 3.724 3.960 -0.042 0.000 0.218 76 G C -0.833 174.293 174.900 0.377 0.000 1.339 76 G CA -0.587 44.710 45.100 0.329 0.000 0.884 76 G HN 0.126 nan 8.290 nan 0.000 0.559 77 D N 0.284 120.849 120.400 0.275 0.000 2.387 77 D HA 0.595 5.210 4.640 -0.042 0.000 0.255 77 D C 1.022 177.271 176.300 -0.085 0.000 1.081 77 D CA 0.413 54.516 54.000 0.171 0.000 0.994 77 D CB 1.278 42.083 40.800 0.008 0.000 1.127 77 D HN 1.058 nan 8.370 nan 0.000 0.513 78 A N 0.892 123.611 122.820 -0.169 0.000 2.810 78 A HA 0.007 4.302 4.320 -0.042 0.000 0.247 78 A C 0.865 177.830 177.584 -1.032 0.000 1.576 78 A CA -0.144 51.493 52.037 -0.667 0.000 1.294 78 A CB -1.435 17.560 19.000 -0.008 0.000 0.976 78 A HN 0.592 nan 8.150 nan 0.000 0.631 79 Y N -0.858 118.752 120.300 -1.150 0.000 2.421 79 Y HA -0.204 4.321 4.550 -0.042 0.000 0.292 79 Y C 1.778 177.462 175.900 -0.360 0.000 1.136 79 Y CA 1.438 58.957 58.100 -0.968 0.000 1.255 79 Y CB -0.986 37.048 38.460 -0.710 0.000 0.991 79 Y HN 0.655 nan 8.280 nan 0.000 0.552 80 H N -1.567 116.970 119.070 -0.888 0.000 2.535 80 H HA 0.398 4.929 4.556 -0.042 0.000 0.273 80 H C 1.947 177.019 175.328 -0.426 0.000 0.983 80 H CA 0.006 55.722 56.048 -0.553 0.000 1.238 80 H CB -0.325 29.050 29.762 -0.645 0.000 1.412 80 H HN 0.385 nan 8.280 nan 0.000 0.562 81 G N -0.194 108.401 108.800 -0.343 0.000 2.175 81 G HA2 -0.343 3.592 3.960 -0.042 0.000 0.244 81 G HA3 -0.343 3.592 3.960 -0.042 0.000 0.244 81 G C 0.332 175.160 174.900 -0.120 0.000 0.982 81 G CA 0.381 45.391 45.100 -0.149 0.000 0.641 81 G HN 0.502 nan 8.290 nan 0.000 0.527 82 Y N -1.027 119.438 120.300 0.274 0.000 2.468 82 Y HA 0.417 4.942 4.550 -0.042 0.000 0.268 82 Y C 0.726 176.948 175.900 0.536 0.000 1.177 82 Y CA -0.591 57.685 58.100 0.293 0.000 1.265 82 Y CB 0.338 38.900 38.460 0.171 0.000 1.103 82 Y HN 0.360 nan 8.280 nan 0.000 0.522 83 W N 2.645 124.189 121.300 0.407 0.000 1.853 83 W HA 0.332 4.968 4.660 -0.041 0.000 0.290 83 W C -0.043 176.627 176.519 0.252 0.000 0.821 83 W CA -1.635 55.912 57.345 0.338 0.000 2.222 83 W CB -0.521 29.119 29.460 0.299 0.000 2.392 83 W HN 0.118 nan 8.180 nan 0.000 0.420 84 Q N -0.230 119.819 119.800 0.414 0.000 2.368 84 Q HA 0.292 4.607 4.340 -0.042 0.000 0.237 84 Q C 0.228 176.428 176.000 0.333 0.000 0.987 84 Q CA 0.279 56.270 55.803 0.312 0.000 0.896 84 Q CB 1.629 30.508 28.738 0.236 0.000 1.241 84 Q HN 0.398 nan 8.270 nan 0.000 0.485 85 Q N -0.035 119.961 119.800 0.325 0.000 2.360 85 Q HA 0.092 4.407 4.340 -0.042 0.000 0.261 85 Q C -0.689 175.508 176.000 0.327 0.000 0.802 85 Q CA 0.140 56.198 55.803 0.425 0.000 0.983 85 Q CB 1.052 30.029 28.738 0.398 0.000 1.211 85 Q HN 0.706 nan 8.270 nan 0.000 0.523 86 D N 1.114 121.649 120.400 0.225 0.000 2.440 86 D HA 0.151 4.766 4.640 -0.042 0.000 0.252 86 D C 0.554 176.939 176.300 0.143 0.000 1.180 86 D CA -0.364 53.740 54.000 0.172 0.000 0.894 86 D CB 0.979 41.883 40.800 0.172 0.000 1.111 86 D HN 0.248 nan 8.370 nan 0.000 0.544 87 I N 0.321 120.897 120.570 0.010 0.000 3.111 87 I HA 0.021 4.166 4.170 -0.042 0.000 0.272 87 I C 0.286 176.443 176.117 0.068 0.000 1.268 87 I CA 0.445 61.702 61.300 -0.072 0.000 1.467 87 I CB -0.180 37.473 38.000 -0.578 0.000 1.087 87 I HN 0.143 nan 8.210 nan 0.000 0.467 88 Y N 1.443 121.906 120.300 0.272 0.000 2.468 88 Y HA 0.345 4.870 4.550 -0.042 0.000 0.268 88 Y C 0.903 176.952 175.900 0.247 0.000 1.177 88 Y CA -0.297 57.979 58.100 0.293 0.000 1.265 88 Y CB 0.116 38.682 38.460 0.178 0.000 1.103 88 Y HN 0.107 nan 8.280 nan 0.000 0.522 89 S N -0.157 115.737 115.700 0.322 0.000 2.648 89 S HA 0.652 5.097 4.470 -0.042 0.000 0.305 89 S C -0.590 174.173 174.600 0.272 0.000 1.094 89 S CA -0.730 57.630 58.200 0.267 0.000 0.983 89 S CB 1.632 64.953 63.200 0.202 0.000 1.101 89 S HN 0.006 nan 8.310 nan 0.000 0.514 90 L N 1.814 123.192 121.223 0.259 0.000 2.358 90 L HA 0.496 4.811 4.340 -0.042 0.000 0.268 90 L C 0.363 177.358 176.870 0.208 0.000 1.032 90 L CA -0.976 54.042 54.840 0.296 0.000 0.805 90 L CB 0.580 42.866 42.059 0.378 0.000 1.253 90 L HN 0.519 nan 8.230 nan 0.000 0.452 91 N N 1.188 119.999 118.700 0.186 0.000 2.402 91 N HA -0.056 4.659 4.740 -0.042 0.000 0.259 91 N C 0.643 175.989 175.510 -0.273 0.000 1.167 91 N CA 0.299 53.288 53.050 -0.102 0.000 0.949 91 N CB 0.876 39.191 38.487 -0.286 0.000 1.212 91 N HN 0.575 nan 8.380 nan 0.000 0.493 92 E N 3.269 123.352 120.200 -0.195 0.000 2.267 92 E HA -0.167 4.158 4.350 -0.042 0.000 0.197 92 E C 0.758 177.161 176.600 -0.328 0.000 0.998 92 E CA 1.283 57.574 56.400 -0.182 0.000 0.830 92 E CB 0.089 29.719 29.700 -0.116 0.000 0.751 92 E HN 0.648 nan 8.360 nan 0.000 0.491 93 N N -1.071 117.294 118.700 -0.557 0.000 2.223 93 N HA -0.169 4.546 4.740 -0.042 0.000 0.185 93 N C 0.616 175.853 175.510 -0.455 0.000 1.016 93 N CA 1.217 53.898 53.050 -0.616 0.000 0.863 93 N CB -0.063 37.824 38.487 -1.000 0.000 0.983 93 N HN 0.283 nan 8.380 nan 0.000 0.429 94 Y N -0.665 119.318 120.300 -0.529 0.000 2.500 94 Y HA 0.385 4.911 4.550 -0.041 0.000 0.270 94 Y C 1.557 176.976 175.900 -0.800 0.000 1.134 94 Y CA 0.073 57.632 58.100 -0.902 0.000 1.293 94 Y CB -0.116 37.258 38.460 -1.810 0.000 1.063 94 Y HN 0.016 nan 8.280 nan 0.000 0.534 95 G N -0.370 108.247 108.800 -0.305 0.000 2.270 95 G HA2 0.176 4.111 3.960 -0.042 0.000 0.268 95 G HA3 0.176 4.111 3.960 -0.042 0.000 0.268 95 G C -0.550 174.498 174.900 0.246 0.000 1.312 95 G CA -0.535 44.600 45.100 0.059 0.000 1.050 95 G HN 0.263 nan 8.290 nan 0.000 0.474 96 T N -2.247 112.523 114.554 0.360 0.000 2.938 96 T HA 0.771 5.096 4.350 -0.042 0.000 0.285 96 T C 1.786 176.702 174.700 0.361 0.000 1.028 96 T CA 0.694 62.980 62.100 0.310 0.000 1.005 96 T CB 1.459 70.444 68.868 0.195 0.000 1.157 96 T HN 2.135 nan 8.240 nan 0.000 0.550 97 A N 0.540 123.525 122.820 0.275 0.000 1.940 97 A HA -0.104 4.191 4.320 -0.042 0.000 0.219 97 A C 1.910 179.628 177.584 0.224 0.000 1.176 97 A CA 1.966 54.170 52.037 0.278 0.000 0.631 97 A CB -1.222 17.965 19.000 0.312 0.000 0.814 97 A HN 0.878 nan 8.150 nan 0.000 0.446 98 D N 0.143 120.651 120.400 0.181 0.000 2.178 98 D HA -0.104 4.511 4.640 -0.042 0.000 0.201 98 D C 1.283 177.663 176.300 0.133 0.000 0.980 98 D CA 1.254 55.336 54.000 0.137 0.000 0.842 98 D CB -0.339 40.527 40.800 0.111 0.000 0.948 98 D HN 0.418 nan 8.370 nan 0.000 0.472 99 D N 0.044 120.558 120.400 0.189 0.000 2.144 99 D HA -0.098 4.517 4.640 -0.042 0.000 0.200 99 D C 2.137 178.507 176.300 0.117 0.000 0.978 99 D CA 0.246 54.383 54.000 0.228 0.000 0.833 99 D CB -0.182 40.861 40.800 0.405 0.000 0.961 99 D HN 0.143 nan 8.370 nan 0.000 0.470 100 L N 1.404 122.570 121.223 -0.095 0.000 2.056 100 L HA -0.102 4.213 4.340 -0.042 0.000 0.207 100 L C 1.871 178.608 176.870 -0.222 0.000 1.078 100 L CA 1.709 56.195 54.840 -0.591 0.000 0.749 100 L CB -0.316 41.011 42.059 -1.220 0.000 0.901 100 L HN -0.161 nan 8.230 nan 0.000 0.433 101 K N -0.490 119.917 120.400 0.012 0.000 2.097 101 K HA -0.096 4.199 4.320 -0.042 0.000 0.206 101 K C 2.073 178.680 176.600 0.012 0.000 1.049 101 K CA 1.273 57.600 56.287 0.068 0.000 0.933 101 K CB -0.399 32.163 32.500 0.103 0.000 0.717 101 K HN 0.456 nan 8.250 nan 0.000 0.442 102 A N 1.408 124.242 122.820 0.024 0.000 1.933 102 A HA -0.145 4.150 4.320 -0.042 0.000 0.218 102 A C 2.091 179.676 177.584 0.002 0.000 1.175 102 A CA 1.097 53.150 52.037 0.027 0.000 0.628 102 A CB -0.440 18.597 19.000 0.062 0.000 0.814 102 A HN 0.240 nan 8.150 nan 0.000 0.444 103 L N 0.907 122.118 121.223 -0.019 0.000 2.027 103 L HA -0.140 4.175 4.340 -0.042 0.000 0.206 103 L C 2.742 179.549 176.870 -0.106 0.000 1.074 103 L CA 2.952 57.772 54.840 -0.033 0.000 0.745 103 L CB -0.875 41.153 42.059 -0.052 0.000 0.898 103 L HN 0.486 nan 8.230 nan 0.000 0.433 104 S N -1.943 113.660 115.700 -0.162 0.000 2.368 104 S HA -0.228 4.217 4.470 -0.042 0.000 0.225 104 S C 2.188 176.487 174.600 -0.503 0.000 1.030 104 S CA 1.438 59.442 58.200 -0.327 0.000 0.999 104 S CB -1.197 61.881 63.200 -0.204 0.000 0.844 104 S HN 0.551 nan 8.310 nan 0.000 0.459 105 S N 2.119 117.701 115.700 -0.198 0.000 2.359 105 S HA -0.052 4.393 4.470 -0.042 0.000 0.224 105 S C 2.177 176.750 174.600 -0.045 0.000 1.035 105 S CA 1.393 59.551 58.200 -0.070 0.000 1.018 105 S CB -1.024 62.181 63.200 0.008 0.000 0.876 105 S HN 0.795 nan 8.310 nan 0.000 0.448 106 A N 1.074 123.868 122.820 -0.042 0.000 1.933 106 A HA 0.020 4.315 4.320 -0.042 0.000 0.218 106 A C 2.207 179.790 177.584 -0.002 0.000 1.175 106 A CA 1.483 53.519 52.037 -0.002 0.000 0.628 106 A CB -0.767 18.242 19.000 0.015 0.000 0.814 106 A HN 0.572 nan 8.150 nan 0.000 0.444 107 L N -1.515 119.675 121.223 -0.055 0.000 2.056 107 L HA -0.198 4.117 4.340 -0.042 0.000 0.207 107 L C 2.502 179.427 176.870 0.093 0.000 1.078 107 L CA 1.653 56.490 54.840 -0.004 0.000 0.749 107 L CB -0.703 41.341 42.059 -0.025 0.000 0.901 107 L HN 0.546 nan 8.230 nan 0.000 0.433 108 H N -0.600 118.506 119.070 0.060 0.000 2.387 108 H HA -0.150 4.381 4.556 -0.042 0.000 0.299 108 H C 1.975 177.319 175.328 0.027 0.000 1.090 108 H CA 1.002 57.082 56.048 0.053 0.000 1.332 108 H CB 0.151 29.947 29.762 0.057 0.000 1.386 108 H HN 0.410 nan 8.280 nan 0.000 0.516 109 E N 0.684 120.968 120.200 0.139 0.000 2.338 109 E HA -0.110 4.215 4.350 -0.042 0.000 0.197 109 E C 1.575 178.205 176.600 0.049 0.000 1.007 109 E CA 0.478 56.925 56.400 0.077 0.000 0.849 109 E CB 0.130 29.863 29.700 0.055 0.000 0.774 109 E HN 0.437 nan 8.360 nan 0.000 0.506 110 R N -0.574 119.956 120.500 0.050 0.000 2.334 110 R HA 0.118 4.433 4.340 -0.042 0.000 0.216 110 R C 0.833 177.134 176.300 0.001 0.000 0.905 110 R CA 0.409 56.522 56.100 0.023 0.000 1.064 110 R CB 0.792 31.106 30.300 0.023 0.000 1.046 110 R HN 0.142 nan 8.270 nan 0.000 0.508 111 G N 1.709 110.516 108.800 0.012 0.000 2.221 111 G HA2 -0.304 3.631 3.960 -0.042 0.000 0.265 111 G HA3 -0.304 3.631 3.960 -0.042 0.000 0.265 111 G C 0.040 174.872 174.900 -0.113 0.000 1.041 111 G CA 0.406 45.479 45.100 -0.045 0.000 0.807 111 G HN 0.181 nan 8.290 nan 0.000 0.502 112 M N -1.224 118.363 119.600 -0.021 0.000 2.705 112 M HA 0.706 5.161 4.480 -0.042 0.000 0.311 112 M C -0.289 176.098 176.300 0.146 0.000 1.214 112 M CA -1.048 54.224 55.300 -0.046 0.000 0.920 112 M CB 1.449 34.066 32.600 0.028 0.000 1.687 112 M HN 0.013 nan 8.290 nan 0.000 0.481 113 Y N 0.852 121.166 120.300 0.023 0.000 2.487 113 Y HA 0.618 5.146 4.550 -0.037 0.000 0.337 113 Y C -0.648 175.370 175.900 0.196 0.000 1.076 113 Y CA -1.595 56.548 58.100 0.073 0.000 1.115 113 Y CB 1.309 39.614 38.460 -0.259 0.000 1.235 113 Y HN 0.408 nan 8.280 nan 0.000 0.468 114 L N 4.354 125.833 121.223 0.425 0.000 2.287 114 L HA 0.591 4.906 4.340 -0.042 0.000 0.287 114 L C -0.775 176.331 176.870 0.393 0.000 1.022 114 L CA -0.655 54.372 54.840 0.313 0.000 0.814 114 L CB 0.951 43.095 42.059 0.142 0.000 1.217 114 L HN 0.719 nan 8.230 nan 0.000 0.420 115 M N 5.668 125.505 119.600 0.396 0.000 2.294 115 M HA 0.649 5.104 4.480 -0.042 0.000 0.335 115 M C -1.696 174.711 176.300 0.178 0.000 1.079 115 M CA -0.562 54.889 55.300 0.251 0.000 0.982 115 M CB 1.582 34.300 32.600 0.197 0.000 1.651 115 M HN 0.425 nan 8.290 nan 0.000 0.437 116 V N 3.862 123.820 119.914 0.074 0.000 2.555 116 V HA 0.323 4.418 4.120 -0.042 0.000 0.302 116 V C -0.399 175.712 176.094 0.028 0.000 1.038 116 V CA -0.778 61.580 62.300 0.096 0.000 0.887 116 V CB 1.796 33.660 31.823 0.068 0.000 0.991 116 V HN 0.783 nan 8.190 nan 0.000 0.434 117 D N 3.152 123.624 120.400 0.120 0.000 2.351 117 D HA 0.399 5.014 4.640 -0.042 0.000 0.251 117 D C -0.451 175.935 176.300 0.144 0.000 1.137 117 D CA 0.258 54.311 54.000 0.088 0.000 0.879 117 D CB 1.656 42.658 40.800 0.337 0.000 1.181 117 D HN 0.470 nan 8.370 nan 0.000 0.448 118 V N 0.949 120.936 119.914 0.121 0.000 2.876 118 V HA 0.670 4.765 4.120 -0.042 0.000 0.312 118 V C -0.538 175.605 176.094 0.081 0.000 1.085 118 V CA -0.909 61.509 62.300 0.198 0.000 0.945 118 V CB 1.849 33.888 31.823 0.360 0.000 1.017 118 V HN 0.215 nan 8.190 nan 0.000 0.428 119 V N 3.123 123.034 119.914 -0.006 0.000 2.495 119 V HA 0.781 4.876 4.120 -0.042 0.000 0.298 119 V C 0.877 176.685 176.094 -0.476 0.000 1.031 119 V CA 0.520 62.723 62.300 -0.162 0.000 0.871 119 V CB 1.253 32.982 31.823 -0.156 0.000 0.988 119 V HN 1.287 nan 8.190 nan 0.000 0.432 120 A N 3.434 125.925 122.820 -0.549 0.000 2.192 120 A HA 0.116 4.411 4.320 -0.042 0.000 0.208 120 A C 1.669 178.965 177.584 -0.481 0.000 1.220 120 A CA 0.693 52.126 52.037 -1.007 0.000 0.900 120 A CB -0.235 18.093 19.000 -1.120 0.000 0.937 120 A HN 0.781 nan 8.150 nan 0.000 0.487 121 N N 0.571 119.087 118.700 -0.307 0.000 2.188 121 N HA -0.089 4.626 4.740 -0.042 0.000 0.184 121 N C 0.449 175.929 175.510 -0.051 0.000 1.018 121 N CA 1.585 54.558 53.050 -0.128 0.000 0.858 121 N CB -0.038 38.521 38.487 0.120 0.000 0.989 121 N HN 0.729 nan 8.380 nan 0.000 0.426 122 H N -3.117 115.932 119.070 -0.036 0.000 3.037 122 H HA 0.291 4.822 4.556 -0.042 0.000 0.355 122 H C -0.821 174.514 175.328 0.011 0.000 1.263 122 H CA -0.997 55.018 56.048 -0.054 0.000 1.129 122 H CB 0.544 30.271 29.762 -0.057 0.000 1.861 122 H HN -0.185 nan 8.280 nan 0.000 0.546 123 M N 0.980 120.608 119.600 0.047 0.000 2.527 123 M HA 0.494 4.949 4.480 -0.042 0.000 0.283 123 M C 0.795 177.208 176.300 0.187 0.000 1.188 123 M CA -0.481 54.824 55.300 0.008 0.000 0.941 123 M CB 1.319 33.595 32.600 -0.539 0.000 1.498 123 M HN 0.820 nan 8.290 nan 0.000 0.510 124 G N -0.301 108.671 108.800 0.287 0.000 2.482 124 G HA2 0.621 4.556 3.960 -0.042 0.000 0.317 124 G HA3 0.621 4.556 3.960 -0.042 0.000 0.317 124 G C -2.369 172.713 174.900 0.305 0.000 1.241 124 G CA -0.193 45.048 45.100 0.235 0.000 0.967 124 G HN 0.578 nan 8.290 nan 0.000 0.482 125 Y N 0.928 121.215 120.300 -0.022 0.000 2.433 125 Y HA 0.390 4.915 4.550 -0.042 0.000 0.337 125 Y C -1.062 174.761 175.900 -0.129 0.000 1.026 125 Y CA -1.150 56.947 58.100 -0.005 0.000 1.037 125 Y CB 2.491 40.972 38.460 0.035 0.000 1.245 125 Y HN 0.544 nan 8.280 nan 0.000 0.443 126 D N 3.792 123.786 120.400 -0.677 0.000 2.416 126 D HA 0.492 5.107 4.640 -0.042 0.000 0.240 126 D C 0.185 176.237 176.300 -0.413 0.000 1.250 126 D CA 1.739 55.446 54.000 -0.488 0.000 0.967 126 D CB -0.207 40.352 40.800 -0.402 0.000 1.059 126 D HN 0.994 nan 8.370 nan 0.000 0.512 127 G N 1.463 110.189 108.800 -0.123 0.000 2.359 127 G HA2 0.417 4.352 3.960 -0.042 0.000 0.303 127 G HA3 0.417 4.352 3.960 -0.042 0.000 0.303 127 G C -0.872 174.096 174.900 0.114 0.000 1.293 127 G CA -0.384 44.726 45.100 0.016 0.000 0.964 127 G HN 0.577 nan 8.290 nan 0.000 0.531 128 A N -0.328 122.525 122.820 0.056 0.000 2.462 128 A HA 0.593 4.888 4.320 -0.042 0.000 0.243 128 A C 1.866 179.342 177.584 -0.180 0.000 1.076 128 A CA 1.371 53.407 52.037 -0.001 0.000 0.773 128 A CB 0.392 19.380 19.000 -0.019 0.000 1.010 128 A HN 2.403 nan 8.150 nan 0.000 0.493 129 G N 0.708 109.232 108.800 -0.460 0.000 2.442 129 G HA2 -0.164 3.771 3.960 -0.042 0.000 0.219 129 G HA3 -0.164 3.771 3.960 -0.042 0.000 0.219 129 G C 1.568 175.643 174.900 -1.374 0.000 1.141 129 G CA 1.310 45.596 45.100 -1.357 0.000 0.763 129 G HN 0.686 nan 8.290 nan 0.000 0.554 130 S N 0.364 115.513 115.700 -0.917 0.000 2.481 130 S HA -0.001 4.444 4.470 -0.042 0.000 0.231 130 S C 2.204 176.662 174.600 -0.237 0.000 0.996 130 S CA 1.040 59.008 58.200 -0.385 0.000 0.942 130 S CB 0.021 63.155 63.200 -0.111 0.000 0.768 130 S HN 0.355 nan 8.310 nan 0.000 0.520 131 S N 0.761 116.315 115.700 -0.244 0.000 2.557 131 S HA 0.222 4.667 4.470 -0.042 0.000 0.223 131 S C 0.316 174.755 174.600 -0.269 0.000 0.969 131 S CA -0.274 57.834 58.200 -0.154 0.000 0.927 131 S CB 0.377 63.544 63.200 -0.054 0.000 0.806 131 S HN 0.154 nan 8.310 nan 0.000 0.489 132 V N 3.640 123.248 119.914 -0.510 0.000 2.540 132 V HA 0.032 4.127 4.120 -0.042 0.000 0.297 132 V C 0.359 175.942 176.094 -0.851 0.000 1.024 132 V CA -0.057 61.590 62.300 -1.088 0.000 1.105 132 V CB 0.436 31.510 31.823 -1.248 0.000 0.938 132 V HN 0.284 nan 8.190 nan 0.000 0.482 133 D N 4.349 124.267 120.400 -0.803 0.000 2.441 133 D HA 0.150 4.765 4.640 -0.042 0.000 0.221 133 D C 0.592 176.585 176.300 -0.512 0.000 1.156 133 D CA -0.167 53.598 54.000 -0.391 0.000 0.896 133 D CB 0.376 41.097 40.800 -0.132 0.000 1.028 133 D HN 0.512 nan 8.370 nan 0.000 0.509 134 Y N 1.326 121.473 120.300 -0.255 0.000 2.483 134 Y HA -0.183 4.342 4.550 -0.042 0.000 0.291 134 Y C 2.610 178.448 175.900 -0.104 0.000 1.143 134 Y CA 1.048 59.055 58.100 -0.154 0.000 1.289 134 Y CB -0.168 38.333 38.460 0.068 0.000 0.983 134 Y HN 0.417 nan 8.280 nan 0.000 0.556 135 S N -0.406 115.307 115.700 0.022 0.000 2.507 135 S HA -0.116 4.329 4.470 -0.042 0.000 0.235 135 S C 1.845 176.421 174.600 -0.041 0.000 0.988 135 S CA 0.865 59.091 58.200 0.042 0.000 0.944 135 S CB -1.136 62.087 63.200 0.038 0.000 0.762 135 S HN 0.364 nan 8.310 nan 0.000 0.526 136 V N -2.609 117.163 119.914 -0.237 0.000 3.129 136 V HA 0.360 4.455 4.120 -0.042 0.000 0.259 136 V C 0.394 176.393 176.094 -0.158 0.000 1.116 136 V CA -0.233 61.932 62.300 -0.225 0.000 1.127 136 V CB -1.376 30.283 31.823 -0.273 0.000 0.742 136 V HN 0.291 nan 8.190 nan 0.000 0.474 137 F N 2.050 122.095 119.950 0.158 0.000 2.412 137 F HA 0.643 5.145 4.527 -0.042 0.000 0.348 137 F C 0.593 176.464 175.800 0.118 0.000 1.102 137 F CA -1.086 57.023 58.000 0.182 0.000 1.196 137 F CB 0.750 39.939 39.000 0.315 0.000 1.144 137 F HN 0.014 nan 8.300 nan 0.000 0.541 138 K N 4.579 125.126 120.400 0.244 0.000 2.463 138 K HA 0.306 4.601 4.320 -0.042 0.000 0.255 138 K C -2.304 174.228 176.600 -0.113 0.000 0.942 138 K CA -1.575 54.753 56.287 0.070 0.000 0.814 138 K CB 2.557 35.120 32.500 0.104 0.000 1.122 138 K HN 0.221 nan 8.250 nan 0.000 0.425 139 P HA 0.080 nan 4.420 nan 0.000 0.261 139 P C -0.348 176.663 177.300 -0.481 0.000 1.268 139 P CA -0.007 62.868 63.100 -0.375 0.000 0.833 139 P CB 0.177 31.619 31.700 -0.429 0.000 1.231 140 F N 1.922 121.703 119.950 -0.283 0.000 2.666 140 F HA 0.106 4.608 4.527 -0.042 0.000 0.362 140 F C 1.407 177.366 175.800 0.265 0.000 1.190 140 F CA -0.198 57.506 58.000 -0.493 0.000 1.328 140 F CB -0.943 37.743 39.000 -0.523 0.000 1.682 140 F HN -0.025 nan 8.300 nan 0.000 0.623 141 S N -1.646 114.307 115.700 0.421 0.000 2.763 141 S HA 0.276 4.721 4.470 -0.042 0.000 0.237 141 S C 0.438 175.326 174.600 0.480 0.000 0.966 141 S CA -0.260 58.203 58.200 0.438 0.000 1.017 141 S CB -0.066 63.282 63.200 0.248 0.000 0.780 141 S HN 0.272 nan 8.310 nan 0.000 0.476 142 S N 0.034 116.134 115.700 0.667 0.000 2.533 142 S HA 0.335 4.780 4.470 -0.042 0.000 0.271 142 S C 0.337 175.096 174.600 0.264 0.000 1.143 142 S CA -0.623 57.801 58.200 0.374 0.000 0.891 142 S CB 1.737 65.050 63.200 0.187 0.000 1.105 142 S HN 0.306 nan 8.310 nan 0.000 0.468 143 Q N 1.500 121.148 119.800 -0.252 0.000 2.248 143 Q HA -0.171 4.144 4.340 -0.042 0.000 0.208 143 Q C 0.471 176.389 176.000 -0.138 0.000 0.984 143 Q CA 2.221 57.594 55.803 -0.718 0.000 0.875 143 Q CB -0.108 28.217 28.738 -0.688 0.000 0.910 143 Q HN 0.764 nan 8.270 nan 0.000 0.433 144 D N -0.656 119.670 120.400 -0.122 0.000 2.311 144 D HA -0.172 4.443 4.640 -0.042 0.000 0.212 144 D C 0.751 176.914 176.300 -0.229 0.000 0.972 144 D CA 1.005 54.892 54.000 -0.188 0.000 0.887 144 D CB -0.134 40.494 40.800 -0.286 0.000 0.915 144 D HN 0.448 nan 8.370 nan 0.000 0.497 145 Y N -1.085 119.198 120.300 -0.028 0.000 2.511 145 Y HA 0.139 4.665 4.550 -0.041 0.000 0.279 145 Y C 0.387 175.918 175.900 -0.614 0.000 1.157 145 Y CA 0.035 57.941 58.100 -0.323 0.000 1.300 145 Y CB -0.034 38.160 38.460 -0.444 0.000 1.052 145 Y HN -0.195 nan 8.280 nan 0.000 0.529 146 F N -1.733 118.165 119.950 -0.086 0.000 2.556 146 F HA 0.379 4.881 4.527 -0.042 0.000 0.327 146 F C 0.330 176.128 175.800 -0.005 0.000 1.059 146 F CA -1.684 56.263 58.000 -0.088 0.000 0.953 146 F CB 0.682 39.712 39.000 0.049 0.000 1.227 146 F HN -0.162 nan 8.300 nan 0.000 0.478 147 H N 1.232 120.478 119.070 0.292 0.000 2.790 147 H HA 0.156 4.687 4.556 -0.042 0.000 0.358 147 H C -2.096 173.506 175.328 0.456 0.000 1.103 147 H CA -1.271 54.955 56.048 0.297 0.000 1.426 147 H CB 0.241 30.175 29.762 0.286 0.000 1.424 147 H HN 0.206 nan 8.280 nan 0.000 0.599 148 P HA -0.139 nan 4.420 nan 0.000 0.266 148 P C -0.573 176.785 177.300 0.096 0.000 1.193 148 P CA 0.104 63.333 63.100 0.216 0.000 0.770 148 P CB 0.311 32.050 31.700 0.066 0.000 0.836 149 F N 4.794 124.560 119.950 -0.307 0.000 2.502 149 F HA 0.339 4.841 4.527 -0.042 0.000 0.371 149 F C -0.095 175.188 175.800 -0.862 0.000 1.083 149 F CA -0.620 56.724 58.000 -1.093 0.000 1.174 149 F CB -0.525 37.800 39.000 -1.126 0.000 1.096 149 F HN 0.456 nan 8.300 nan 0.000 0.545 150 c N 4.543 122.242 118.600 -1.501 0.000 3.171 150 c HA 0.644 5.189 4.570 -0.042 0.000 0.336 150 c C -1.162 172.428 174.090 -0.833 0.000 1.198 150 c CA -1.470 54.123 56.329 -1.226 0.000 1.319 150 c CB 0.285 42.445 42.510 -0.582 0.000 1.682 150 c HN 0.692 nan 8.230 nan 0.000 0.497 151 F N 1.717 121.419 119.950 -0.414 0.000 2.399 151 F HA 0.616 5.118 4.527 -0.042 0.000 0.334 151 F C 0.924 176.672 175.800 -0.087 0.000 1.097 151 F CA -1.112 56.834 58.000 -0.089 0.000 1.076 151 F CB 0.873 39.874 39.000 0.002 0.000 1.162 151 F HN 0.505 nan 8.300 nan 0.000 0.495 152 I N 3.661 124.332 120.570 0.169 0.000 2.752 152 I HA -0.100 4.045 4.170 -0.042 0.000 0.289 152 I C 0.985 177.083 176.117 -0.032 0.000 1.197 152 I CA 0.463 61.729 61.300 -0.057 0.000 1.432 152 I CB 0.511 38.333 38.000 -0.296 0.000 1.359 152 I HN 0.612 nan 8.210 nan 0.000 0.571 153 Q N 3.635 123.399 119.800 -0.059 0.000 2.471 153 Q HA 0.138 4.453 4.340 -0.042 0.000 0.241 153 Q C 0.170 176.195 176.000 0.043 0.000 0.886 153 Q CA 0.569 56.383 55.803 0.017 0.000 0.953 153 Q CB 0.192 28.931 28.738 0.000 0.000 1.108 153 Q HN 0.593 nan 8.270 nan 0.000 0.575 154 N N -0.016 118.668 118.700 -0.027 0.000 2.573 154 N HA 0.125 4.840 4.740 -0.042 0.000 0.262 154 N C -0.671 174.837 175.510 -0.003 0.000 1.029 154 N CA -0.157 52.911 53.050 0.030 0.000 0.882 154 N CB 0.423 38.915 38.487 0.009 0.000 1.204 154 N HN -0.088 nan 8.380 nan 0.000 0.519 155 Y N 1.234 121.540 120.300 0.009 0.000 2.632 155 Y HA 0.086 4.611 4.550 -0.042 0.000 0.301 155 Y C 1.451 177.334 175.900 -0.028 0.000 1.172 155 Y CA 0.618 58.720 58.100 0.002 0.000 1.328 155 Y CB 0.312 38.765 38.460 -0.012 0.000 1.016 155 Y HN 0.587 nan 8.280 nan 0.000 0.529 156 E N -0.471 119.780 120.200 0.086 0.000 2.435 156 E HA -0.095 4.230 4.350 -0.042 0.000 0.195 156 E C 0.093 176.717 176.600 0.039 0.000 1.029 156 E CA 0.326 56.750 56.400 0.039 0.000 0.865 156 E CB 0.143 29.859 29.700 0.027 0.000 0.833 156 E HN 0.203 nan 8.360 nan 0.000 0.510 157 D N 0.593 121.007 120.400 0.023 0.000 2.443 157 D HA -0.005 4.610 4.640 -0.042 0.000 0.221 157 D C 0.752 177.064 176.300 0.020 0.000 1.097 157 D CA -0.199 53.810 54.000 0.015 0.000 0.865 157 D CB 1.235 42.030 40.800 -0.009 0.000 1.034 157 D HN -0.226 nan 8.370 nan 0.000 0.511 158 Q N 2.081 121.916 119.800 0.058 0.000 2.226 158 Q HA -0.110 4.205 4.340 -0.042 0.000 0.204 158 Q C 1.342 177.367 176.000 0.041 0.000 0.975 158 Q CA 1.721 57.574 55.803 0.084 0.000 0.866 158 Q CB -0.115 28.700 28.738 0.128 0.000 0.915 158 Q HN 0.516 nan 8.270 nan 0.000 0.440 159 T N 0.237 114.800 114.554 0.016 0.000 2.708 159 T HA -0.159 4.166 4.350 -0.042 0.000 0.266 159 T C 1.575 176.254 174.700 -0.035 0.000 1.037 159 T CA 1.483 63.577 62.100 -0.009 0.000 1.146 159 T CB -0.133 68.724 68.868 -0.018 0.000 0.865 159 T HN 0.417 nan 8.240 nan 0.000 0.435 160 Q N 0.194 119.969 119.800 -0.042 0.000 2.084 160 Q HA -0.062 4.253 4.340 -0.042 0.000 0.202 160 Q C 2.580 178.548 176.000 -0.052 0.000 0.978 160 Q CA 1.059 56.822 55.803 -0.066 0.000 0.844 160 Q CB -0.373 28.312 28.738 -0.087 0.000 0.898 160 Q HN 0.328 nan 8.270 nan 0.000 0.426 161 V N 1.356 121.245 119.914 -0.043 0.000 2.392 161 V HA -0.278 3.817 4.120 -0.042 0.000 0.249 161 V C 1.719 177.898 176.094 0.141 0.000 1.059 161 V CA 2.039 64.344 62.300 0.008 0.000 1.051 161 V CB -0.381 31.427 31.823 -0.025 0.000 0.658 161 V HN 0.381 nan 8.190 nan 0.000 0.455 162 E N -0.736 119.508 120.200 0.072 0.000 2.140 162 E HA -0.100 4.225 4.350 -0.042 0.000 0.191 162 E C 1.668 178.275 176.600 0.013 0.000 0.973 162 E CA 0.976 57.431 56.400 0.092 0.000 0.829 162 E CB -0.041 29.700 29.700 0.069 0.000 0.781 162 E HN 0.540 nan 8.360 nan 0.000 0.466 163 D N -0.279 120.041 120.400 -0.133 0.000 2.327 163 D HA 0.040 4.655 4.640 -0.042 0.000 0.205 163 D C 0.459 176.634 176.300 -0.209 0.000 0.989 163 D CA 0.289 54.005 54.000 -0.474 0.000 0.873 163 D CB 0.125 40.663 40.800 -0.438 0.000 0.955 163 D HN 0.071 nan 8.370 nan 0.000 0.515 164 c N 0.384 118.985 118.600 0.002 0.000 2.328 164 c HA 0.414 4.959 4.570 -0.042 0.000 0.378 164 c C -0.066 174.238 174.090 0.357 0.000 1.249 164 c CA -0.924 55.489 56.329 0.140 0.000 2.204 164 c CB 0.484 43.000 42.510 0.010 0.000 2.218 164 c HN 0.205 nan 8.230 nan 0.000 0.564 165 W N 1.216 122.558 121.300 0.070 0.000 2.438 165 W HA 0.649 5.284 4.660 -0.041 0.000 0.324 165 W C 0.041 176.693 176.519 0.221 0.000 1.119 165 W CA -0.766 56.676 57.345 0.161 0.000 1.221 165 W CB -0.150 29.434 29.460 0.208 0.000 1.253 165 W HN 0.420 nan 8.180 nan 0.000 0.555 166 L N 2.348 123.736 121.223 0.276 0.000 2.475 166 L HA 0.644 4.959 4.340 -0.042 0.000 0.250 166 L C 1.374 178.412 176.870 0.279 0.000 1.224 166 L CA 0.594 55.520 54.840 0.142 0.000 0.821 166 L CB -0.331 41.622 42.059 -0.176 0.000 1.141 166 L HN 0.719 nan 8.230 nan 0.000 0.494 167 G N 0.608 109.474 108.800 0.110 0.000 2.632 167 G HA2 -0.113 3.822 3.960 -0.042 0.000 0.224 167 G HA3 -0.113 3.822 3.960 -0.042 0.000 0.224 167 G C -1.257 173.524 174.900 -0.198 0.000 1.341 167 G CA 0.021 45.162 45.100 0.068 0.000 0.880 167 G HN 0.985 nan 8.290 nan 0.000 0.566 168 D N -2.563 117.704 120.400 -0.221 0.000 3.009 168 D HA 0.404 5.019 4.640 -0.042 0.000 0.318 168 D C 0.627 176.871 176.300 -0.093 0.000 1.273 168 D CA -0.399 53.206 54.000 -0.659 0.000 1.001 168 D CB -0.238 40.385 40.800 -0.296 0.000 1.411 168 D HN 0.258 nan 8.370 nan 0.000 0.577 169 N N -1.223 117.478 118.700 0.002 0.000 2.461 169 N HA 0.059 4.774 4.740 -0.042 0.000 0.188 169 N C 0.646 176.165 175.510 0.014 0.000 1.134 169 N CA 0.470 53.614 53.050 0.157 0.000 0.878 169 N CB 0.192 38.791 38.487 0.187 0.000 0.972 169 N HN 0.414 nan 8.380 nan 0.000 0.456 170 T N -0.483 114.021 114.554 -0.082 0.000 2.925 170 T HA 0.136 4.461 4.350 -0.042 0.000 0.245 170 T C 0.757 175.273 174.700 -0.307 0.000 1.025 170 T CA 0.499 62.429 62.100 -0.283 0.000 1.149 170 T CB 0.644 69.133 68.868 -0.631 0.000 0.866 170 T HN -0.170 nan 8.240 nan 0.000 0.437 171 V N 3.091 122.867 119.914 -0.230 0.000 2.409 171 V HA 0.473 4.568 4.120 -0.042 0.000 0.290 171 V C -0.351 175.696 176.094 -0.079 0.000 1.017 171 V CA -0.982 61.156 62.300 -0.269 0.000 0.841 171 V CB 1.485 32.980 31.823 -0.546 0.000 1.003 171 V HN 0.489 nan 8.190 nan 0.000 0.426 172 S N 5.748 121.481 115.700 0.055 0.000 2.617 172 S HA 0.789 5.234 4.470 -0.042 0.000 0.283 172 S C -0.546 174.148 174.600 0.155 0.000 1.189 172 S CA -0.775 57.603 58.200 0.297 0.000 1.036 172 S CB 1.647 65.129 63.200 0.469 0.000 1.014 172 S HN 0.504 nan 8.310 nan 0.000 0.522 173 L N 1.682 123.015 121.223 0.183 0.000 2.445 173 L HA 0.390 4.705 4.340 -0.042 0.000 0.252 173 L C -2.705 173.946 176.870 -0.366 0.000 1.105 173 L CA -2.121 52.684 54.840 -0.059 0.000 0.943 173 L CB 1.002 42.934 42.059 -0.213 0.000 1.277 173 L HN 0.399 nan 8.230 nan 0.000 0.465 174 P HA -0.061 nan 4.420 nan 0.000 0.261 174 P C -0.624 176.215 177.300 -0.769 0.000 1.183 174 P CA 0.225 62.388 63.100 -1.563 0.000 0.761 174 P CB 0.517 31.512 31.700 -1.174 0.000 0.785 175 D N 3.228 123.012 120.400 -1.025 0.000 2.347 175 D HA 0.201 4.816 4.640 -0.042 0.000 0.235 175 D C -0.181 176.075 176.300 -0.073 0.000 1.149 175 D CA -0.265 53.569 54.000 -0.277 0.000 0.850 175 D CB 0.106 40.867 40.800 -0.067 0.000 1.061 175 D HN 0.190 nan 8.370 nan 0.000 0.487 176 L N 3.005 124.060 121.223 -0.280 0.000 2.456 176 L HA 0.094 4.409 4.340 -0.042 0.000 0.272 176 L C 0.707 177.191 176.870 -0.643 0.000 1.189 176 L CA 0.014 54.447 54.840 -0.679 0.000 0.846 176 L CB 0.506 42.111 42.059 -0.757 0.000 1.111 176 L HN 0.462 nan 8.230 nan 0.000 0.475 177 D N 1.685 121.628 120.400 -0.762 0.000 2.470 177 D HA -0.005 4.610 4.640 -0.042 0.000 0.226 177 D C 1.190 177.205 176.300 -0.474 0.000 1.196 177 D CA -0.168 53.302 54.000 -0.883 0.000 0.979 177 D CB 0.656 41.083 40.800 -0.622 0.000 1.059 177 D HN 0.597 nan 8.370 nan 0.000 0.515 178 T N -0.807 113.509 114.554 -0.397 0.000 3.163 178 T HA -0.122 4.203 4.350 -0.042 0.000 0.260 178 T C 1.569 176.232 174.700 -0.062 0.000 1.156 178 T CA 0.952 62.877 62.100 -0.291 0.000 1.072 178 T CB -0.347 68.120 68.868 -0.669 0.000 0.937 178 T HN 0.333 nan 8.240 nan 0.000 0.528 179 T N -1.651 112.867 114.554 -0.059 0.000 3.065 179 T HA 0.236 4.561 4.350 -0.042 0.000 0.252 179 T C 0.604 175.303 174.700 -0.002 0.000 1.099 179 T CA -0.362 61.747 62.100 0.015 0.000 1.063 179 T CB -0.204 68.692 68.868 0.046 0.000 0.948 179 T HN 0.340 nan 8.240 nan 0.000 0.506 180 K N 1.851 122.223 120.400 -0.046 0.000 2.249 180 K HA 0.218 4.513 4.320 -0.042 0.000 0.280 180 K C 0.180 176.769 176.600 -0.018 0.000 1.033 180 K CA -0.525 55.739 56.287 -0.039 0.000 0.946 180 K CB 1.044 33.503 32.500 -0.069 0.000 1.005 180 K HN -0.034 nan 8.250 nan 0.000 0.469 181 D N 1.329 121.723 120.400 -0.010 0.000 2.149 181 D HA -0.163 4.452 4.640 -0.042 0.000 0.198 181 D C 1.774 178.072 176.300 -0.003 0.000 0.990 181 D CA 1.299 55.293 54.000 -0.010 0.000 0.839 181 D CB -0.102 40.699 40.800 0.002 0.000 0.948 181 D HN 0.447 nan 8.370 nan 0.000 0.460 182 V N -1.197 118.733 119.914 0.027 0.000 2.427 182 V HA -0.167 3.928 4.120 -0.042 0.000 0.248 182 V C 2.364 178.525 176.094 0.112 0.000 1.051 182 V CA 1.056 63.408 62.300 0.086 0.000 1.048 182 V CB -0.970 30.942 31.823 0.149 0.000 0.666 182 V HN 0.016 nan 8.190 nan 0.000 0.456 183 V N 0.515 120.469 119.914 0.066 0.000 2.323 183 V HA -0.196 3.899 4.120 -0.042 0.000 0.244 183 V C 2.756 178.873 176.094 0.037 0.000 1.041 183 V CA 2.470 64.767 62.300 -0.006 0.000 1.025 183 V CB -0.816 30.893 31.823 -0.190 0.000 0.656 183 V HN 0.503 nan 8.190 nan 0.000 0.451 184 K N 0.473 120.862 120.400 -0.018 0.000 2.009 184 K HA -0.199 4.096 4.320 -0.042 0.000 0.210 184 K C 2.058 178.321 176.600 -0.562 0.000 1.049 184 K CA 1.914 57.992 56.287 -0.347 0.000 0.929 184 K CB -0.367 31.856 32.500 -0.462 0.000 0.714 184 K HN 0.390 nan 8.250 nan 0.000 0.440 185 N N 0.872 119.432 118.700 -0.233 0.000 2.166 185 N HA -0.178 4.537 4.740 -0.042 0.000 0.186 185 N C 1.784 177.328 175.510 0.057 0.000 1.019 185 N CA 1.193 54.200 53.050 -0.071 0.000 0.856 185 N CB -0.166 38.327 38.487 0.009 0.000 0.993 185 N HN 0.233 nan 8.380 nan 0.000 0.426 186 E N 0.064 120.304 120.200 0.066 0.000 2.047 186 E HA -0.096 4.229 4.350 -0.042 0.000 0.191 186 E C 1.848 178.604 176.600 0.260 0.000 0.987 186 E CA 1.202 57.657 56.400 0.091 0.000 0.799 186 E CB -0.362 29.305 29.700 -0.054 0.000 0.752 186 E HN 0.430 nan 8.360 nan 0.000 0.449 187 W N -0.722 120.736 121.300 0.263 0.000 2.363 187 W HA -0.209 4.426 4.660 -0.041 0.000 0.296 187 W C 1.803 178.615 176.519 0.488 0.000 1.212 187 W CA 0.563 58.162 57.345 0.424 0.000 1.260 187 W CB -0.135 29.666 29.460 0.568 0.000 1.131 187 W HN 0.192 nan 8.180 nan 0.000 0.530 188 Y N 0.336 120.885 120.300 0.414 0.000 2.200 188 Y HA -0.208 4.317 4.550 -0.041 0.000 0.290 188 Y C 2.088 178.081 175.900 0.155 0.000 1.137 188 Y CA 0.708 58.904 58.100 0.159 0.000 1.163 188 Y CB -1.520 36.977 38.460 0.062 0.000 0.988 188 Y HN -0.062 nan 8.280 nan 0.000 0.518 189 D N -1.108 119.511 120.400 0.364 0.000 2.097 189 D HA -0.214 4.401 4.640 -0.042 0.000 0.195 189 D C 2.008 178.497 176.300 0.316 0.000 0.989 189 D CA 1.214 55.376 54.000 0.270 0.000 0.827 189 D CB -0.844 40.100 40.800 0.240 0.000 0.966 189 D HN 0.432 nan 8.370 nan 0.000 0.456 190 W N 1.292 122.747 121.300 0.259 0.000 2.333 190 W HA -0.227 4.408 4.660 -0.041 0.000 0.316 190 W C 2.283 178.910 176.519 0.180 0.000 1.215 190 W CA 1.679 59.173 57.345 0.248 0.000 1.278 190 W CB -0.614 29.009 29.460 0.271 0.000 1.154 190 W HN -0.128 nan 8.180 nan 0.000 0.486 191 V N 1.146 121.215 119.914 0.257 0.000 2.453 191 V HA -0.064 4.031 4.120 -0.042 0.000 0.247 191 V C 2.167 178.114 176.094 -0.244 0.000 1.048 191 V CA 2.401 64.592 62.300 -0.180 0.000 1.049 191 V CB -1.163 30.515 31.823 -0.242 0.000 0.672 191 V HN 0.331 nan 8.190 nan 0.000 0.457 192 G N -0.309 108.421 108.800 -0.117 0.000 2.418 192 G HA2 -0.284 3.651 3.960 -0.042 0.000 0.217 192 G HA3 -0.284 3.651 3.960 -0.042 0.000 0.217 192 G C 1.863 176.691 174.900 -0.119 0.000 1.158 192 G CA 1.342 46.379 45.100 -0.105 0.000 0.771 192 G HN 0.713 nan 8.290 nan 0.000 0.545 193 S N 0.188 115.822 115.700 -0.110 0.000 2.428 193 S HA 0.021 4.466 4.470 -0.042 0.000 0.230 193 S C 2.301 176.772 174.600 -0.215 0.000 1.014 193 S CA 1.126 59.255 58.200 -0.118 0.000 0.957 193 S CB -0.225 62.962 63.200 -0.022 0.000 0.784 193 S HN 0.223 nan 8.310 nan 0.000 0.499 194 L N 1.736 122.737 121.223 -0.371 0.000 2.017 194 L HA 0.039 4.354 4.340 -0.042 0.000 0.208 194 L C 2.487 179.266 176.870 -0.151 0.000 1.073 194 L CA 1.498 56.127 54.840 -0.350 0.000 0.745 194 L CB -0.603 40.977 42.059 -0.799 0.000 0.894 194 L HN 0.214 nan 8.230 nan 0.000 0.432 195 V N -0.977 118.832 119.914 -0.176 0.000 2.343 195 V HA -0.284 3.811 4.120 -0.042 0.000 0.247 195 V C 2.760 178.810 176.094 -0.073 0.000 1.051 195 V CA 1.881 64.128 62.300 -0.088 0.000 1.036 195 V CB -0.632 31.135 31.823 -0.094 0.000 0.654 195 V HN 0.668 nan 8.190 nan 0.000 0.451 196 S N 0.492 116.125 115.700 -0.111 0.000 2.345 196 S HA -0.208 4.237 4.470 -0.042 0.000 0.220 196 S C 1.904 176.405 174.600 -0.165 0.000 1.031 196 S CA 1.921 60.056 58.200 -0.108 0.000 0.996 196 S CB -0.440 62.699 63.200 -0.102 0.000 0.882 196 S HN 0.652 nan 8.310 nan 0.000 0.445 197 N N 0.338 118.864 118.700 -0.290 0.000 2.166 197 N HA -0.044 4.671 4.740 -0.042 0.000 0.186 197 N C 0.696 175.825 175.510 -0.635 0.000 1.019 197 N CA 1.324 54.055 53.050 -0.531 0.000 0.856 197 N CB -0.474 37.518 38.487 -0.826 0.000 0.993 197 N HN 0.577 nan 8.380 nan 0.000 0.426 198 Y N 0.054 120.311 120.300 -0.071 0.000 2.555 198 Y HA 0.318 4.842 4.550 -0.043 0.000 0.259 198 Y C 0.476 176.354 175.900 -0.036 0.000 1.179 198 Y CA -0.635 57.418 58.100 -0.078 0.000 1.230 198 Y CB -0.208 38.173 38.460 -0.131 0.000 1.146 198 Y HN -0.212 nan 8.280 nan 0.000 0.526 199 S N 0.980 116.719 115.700 0.065 0.000 3.550 199 S HA -0.215 4.230 4.470 -0.042 0.000 0.372 199 S C 0.119 174.829 174.600 0.184 0.000 0.966 199 S CA 0.219 58.494 58.200 0.125 0.000 1.229 199 S CB -2.011 61.312 63.200 0.205 0.000 0.917 199 S HN 0.384 nan 8.310 nan 0.000 0.496 200 I N 1.369 122.009 120.570 0.117 0.000 2.474 200 I HA 0.139 4.284 4.170 -0.042 0.000 0.287 200 I C 1.290 177.479 176.117 0.120 0.000 1.048 200 I CA -0.171 61.202 61.300 0.122 0.000 1.383 200 I CB 0.657 38.701 38.000 0.073 0.000 1.412 200 I HN 0.173 nan 8.210 nan 0.000 0.531 201 D N 4.197 124.707 120.400 0.183 0.000 2.327 201 D HA 0.173 4.788 4.640 -0.042 0.000 0.205 201 D C 0.650 177.163 176.300 0.356 0.000 0.989 201 D CA 0.447 54.522 54.000 0.125 0.000 0.873 201 D CB 0.927 41.663 40.800 -0.107 0.000 0.955 201 D HN 0.722 nan 8.370 nan 0.000 0.515 202 G N 0.054 109.034 108.800 0.299 0.000 2.646 202 G HA2 0.561 4.496 3.960 -0.042 0.000 0.291 202 G HA3 0.561 4.496 3.960 -0.042 0.000 0.291 202 G C -1.746 173.072 174.900 -0.137 0.000 1.445 202 G CA -0.657 44.440 45.100 -0.006 0.000 0.814 202 G HN -0.013 nan 8.290 nan 0.000 0.495 203 L N 0.578 121.622 121.223 -0.300 0.000 2.370 203 L HA 0.682 4.997 4.340 -0.042 0.000 0.266 203 L C -0.059 176.529 176.870 -0.469 0.000 1.002 203 L CA -1.169 53.509 54.840 -0.270 0.000 0.818 203 L CB 2.430 44.407 42.059 -0.136 0.000 1.325 203 L HN 0.430 nan 8.230 nan 0.000 0.418 204 R N 3.165 123.353 120.500 -0.520 0.000 2.338 204 R HA 0.566 4.881 4.340 -0.042 0.000 0.317 204 R C -1.300 174.725 176.300 -0.459 0.000 0.968 204 R CA -0.472 55.190 56.100 -0.731 0.000 0.849 204 R CB 1.069 30.524 30.300 -1.409 0.000 1.128 204 R HN 0.611 nan 8.270 nan 0.000 0.448 205 I N 3.605 123.910 120.570 -0.441 0.000 2.339 205 I HA 0.127 4.272 4.170 -0.042 0.000 0.290 205 I C 0.269 176.198 176.117 -0.313 0.000 0.994 205 I CA -0.780 60.316 61.300 -0.339 0.000 1.191 205 I CB 1.578 39.288 38.000 -0.484 0.000 1.343 205 I HN 0.534 nan 8.210 nan 0.000 0.458 206 D N 4.190 124.502 120.400 -0.147 0.000 2.344 206 D HA 0.107 4.722 4.640 -0.042 0.000 0.244 206 D C 0.636 176.890 176.300 -0.077 0.000 1.134 206 D CA 0.524 54.485 54.000 -0.066 0.000 0.930 206 D CB 0.774 41.634 40.800 0.100 0.000 1.175 206 D HN 0.778 nan 8.370 nan 0.000 0.437 207 T N -0.756 113.782 114.554 -0.026 0.000 3.852 207 T HA -0.209 4.116 4.350 -0.042 0.000 0.361 207 T C 1.228 175.992 174.700 0.106 0.000 0.759 207 T CA 0.593 62.767 62.100 0.124 0.000 1.899 207 T CB -2.318 66.693 68.868 0.239 0.000 1.822 207 T HN 0.213 nan 8.240 nan 0.000 0.778 208 V N 1.394 121.226 119.914 -0.137 0.000 2.407 208 V HA -0.229 3.866 4.120 -0.042 0.000 0.248 208 V C 2.743 178.820 176.094 -0.028 0.000 1.055 208 V CA 2.319 64.462 62.300 -0.261 0.000 1.049 208 V CB -0.534 30.863 31.823 -0.709 0.000 0.662 208 V HN 0.975 nan 8.190 nan 0.000 0.455 209 K N -0.896 119.376 120.400 -0.213 0.000 2.442 209 K HA -0.162 4.133 4.320 -0.042 0.000 0.198 209 K C 1.537 178.107 176.600 -0.050 0.000 1.042 209 K CA 1.435 57.618 56.287 -0.173 0.000 0.958 209 K CB -0.307 32.087 32.500 -0.176 0.000 0.766 209 K HN 0.517 nan 8.250 nan 0.000 0.474 210 H N 0.475 119.639 119.070 0.157 0.000 2.539 210 H HA 0.205 4.736 4.556 -0.042 0.000 0.269 210 H C -0.334 175.076 175.328 0.138 0.000 0.980 210 H CA 0.068 56.204 56.048 0.146 0.000 1.152 210 H CB 0.610 30.451 29.762 0.131 0.000 1.407 210 H HN -0.047 nan 8.280 nan 0.000 0.564 211 V N 3.213 123.294 119.914 0.277 0.000 2.540 211 V HA 0.063 4.158 4.120 -0.042 0.000 0.302 211 V C 0.294 176.482 176.094 0.157 0.000 1.035 211 V CA -1.093 61.260 62.300 0.088 0.000 0.873 211 V CB 2.470 34.181 31.823 -0.186 0.000 0.992 211 V HN 0.274 nan 8.190 nan 0.000 0.428 212 Q N 4.648 124.472 119.800 0.040 0.000 2.349 212 Q HA 0.079 4.394 4.340 -0.042 0.000 0.287 212 Q C 0.620 176.688 176.000 0.114 0.000 1.044 212 Q CA 0.381 56.237 55.803 0.089 0.000 0.918 212 Q CB 0.736 29.508 28.738 0.056 0.000 1.242 212 Q HN 0.706 nan 8.270 nan 0.000 0.405 213 K N 1.612 122.107 120.400 0.158 0.000 2.103 213 K HA -0.197 4.098 4.320 -0.042 0.000 0.207 213 K C 1.062 177.765 176.600 0.172 0.000 1.048 213 K CA 1.834 58.250 56.287 0.216 0.000 0.930 213 K CB -0.027 32.479 32.500 0.010 0.000 0.716 213 K HN 0.794 nan 8.250 nan 0.000 0.444 214 D N -0.323 120.135 120.400 0.097 0.000 2.352 214 D HA -0.139 4.476 4.640 -0.042 0.000 0.232 214 D C 1.252 177.612 176.300 0.099 0.000 1.055 214 D CA 0.236 54.287 54.000 0.086 0.000 0.891 214 D CB -0.280 40.558 40.800 0.063 0.000 0.897 214 D HN 0.193 nan 8.370 nan 0.000 0.529 215 F N -0.684 119.182 119.950 -0.141 0.000 2.387 215 F HA 0.161 4.663 4.527 -0.042 0.000 0.294 215 F C 1.340 177.058 175.800 -0.137 0.000 1.093 215 F CA 0.324 58.185 58.000 -0.232 0.000 1.420 215 F CB 0.048 38.663 39.000 -0.642 0.000 1.086 215 F HN -0.089 nan 8.300 nan 0.000 0.531 216 W N 1.107 122.541 121.300 0.224 0.000 2.409 216 W HA -0.008 4.627 4.660 -0.041 0.000 0.299 216 W C -0.595 175.927 176.519 0.006 0.000 1.203 216 W CA 0.535 57.958 57.345 0.129 0.000 1.298 216 W CB -1.913 27.631 29.460 0.139 0.000 1.127 216 W HN -0.006 nan 8.180 nan 0.000 0.528 217 P HA -0.158 nan 4.420 nan 0.000 0.215 217 P C 1.786 179.034 177.300 -0.086 0.000 1.153 217 P CA 2.531 65.664 63.100 0.055 0.000 0.853 217 P CB -0.443 31.280 31.700 0.037 0.000 0.788 218 G N -1.721 106.946 108.800 -0.221 0.000 2.422 218 G HA2 -0.291 3.644 3.960 -0.042 0.000 0.218 218 G HA3 -0.291 3.644 3.960 -0.042 0.000 0.218 218 G C 1.568 175.836 174.900 -1.054 0.000 1.146 218 G CA 0.463 45.189 45.100 -0.624 0.000 0.769 218 G HN 0.232 nan 8.290 nan 0.000 0.547 219 Y N 1.098 120.866 120.300 -0.887 0.000 2.163 219 Y HA -0.077 4.448 4.550 -0.042 0.000 0.288 219 Y C 2.616 178.407 175.900 -0.182 0.000 1.136 219 Y CA 1.977 59.791 58.100 -0.475 0.000 1.147 219 Y CB -0.342 38.090 38.460 -0.047 0.000 0.987 219 Y HN 0.304 nan 8.280 nan 0.000 0.509 220 N N -0.190 118.575 118.700 0.109 0.000 2.120 220 N HA -0.229 4.486 4.740 -0.042 0.000 0.188 220 N C 2.081 177.543 175.510 -0.080 0.000 1.024 220 N CA 1.083 54.158 53.050 0.042 0.000 0.852 220 N CB -0.186 38.336 38.487 0.059 0.000 1.003 220 N HN 0.252 nan 8.380 nan 0.000 0.424 221 K N 0.438 120.758 120.400 -0.134 0.000 2.025 221 K HA -0.080 4.215 4.320 -0.042 0.000 0.207 221 K C 1.910 178.411 176.600 -0.165 0.000 1.049 221 K CA 1.171 57.378 56.287 -0.134 0.000 0.933 221 K CB -0.168 32.247 32.500 -0.142 0.000 0.714 221 K HN 0.204 nan 8.250 nan 0.000 0.438 222 A N 1.143 123.804 122.820 -0.265 0.000 1.933 222 A HA -0.114 4.181 4.320 -0.042 0.000 0.218 222 A C 2.294 179.765 177.584 -0.188 0.000 1.175 222 A CA 1.880 53.783 52.037 -0.224 0.000 0.628 222 A CB -0.653 18.183 19.000 -0.274 0.000 0.814 222 A HN 0.482 nan 8.150 nan 0.000 0.444 223 A N -1.618 121.064 122.820 -0.231 0.000 1.902 223 A HA 0.273 4.568 4.320 -0.042 0.000 0.217 223 A C 2.280 179.798 177.584 -0.110 0.000 1.181 223 A CA 1.888 53.813 52.037 -0.187 0.000 0.623 223 A CB -1.190 17.707 19.000 -0.172 0.000 0.818 223 A HN 1.983 nan 8.150 nan 0.000 0.443 224 G N -1.984 106.764 108.800 -0.087 0.000 2.148 224 G HA2 -0.092 3.843 3.960 -0.042 0.000 0.254 224 G HA3 -0.092 3.843 3.960 -0.042 0.000 0.254 224 G C 0.385 175.276 174.900 -0.016 0.000 0.981 224 G CA 1.031 46.102 45.100 -0.049 0.000 0.670 224 G HN 1.951 nan 8.290 nan 0.000 0.528 225 V N -3.913 115.994 119.914 -0.012 0.000 3.160 225 V HA 0.813 4.908 4.120 -0.042 0.000 0.310 225 V C 0.298 176.415 176.094 0.040 0.000 1.181 225 V CA -1.932 60.393 62.300 0.042 0.000 1.047 225 V CB 1.560 33.409 31.823 0.044 0.000 1.068 225 V HN 1.030 nan 8.190 nan 0.000 0.441 226 Y N 1.177 121.438 120.300 -0.066 0.000 2.717 226 Y HA 0.427 4.955 4.550 -0.038 0.000 0.330 226 Y C 0.015 175.727 175.900 -0.313 0.000 1.217 226 Y CA -0.092 57.888 58.100 -0.201 0.000 1.506 226 Y CB 0.106 38.340 38.460 -0.376 0.000 1.268 226 Y HN 0.883 nan 8.280 nan 0.000 0.561 227 C N 8.533 127.359 119.300 -0.790 0.000 2.408 227 C HA 0.545 4.980 4.460 -0.042 0.000 0.321 227 C C -0.118 174.228 174.990 -1.074 0.000 1.245 227 C CA -1.397 57.154 59.018 -0.779 0.000 1.523 227 C CB 0.192 27.720 27.740 -0.355 0.000 2.178 227 C HN 0.882 nan 8.230 nan 0.000 0.488 228 I N 2.694 122.685 120.570 -0.964 0.000 2.406 228 I HA 0.640 4.785 4.170 -0.042 0.000 0.290 228 I C 0.357 176.137 176.117 -0.562 0.000 0.999 228 I CA 0.243 61.111 61.300 -0.719 0.000 1.124 228 I CB 1.138 38.786 38.000 -0.587 0.000 1.289 228 I HN 0.814 nan 8.210 nan 0.000 0.441 229 G N 5.515 114.040 108.800 -0.457 0.000 2.367 229 G HA2 0.221 4.156 3.960 -0.042 0.000 0.314 229 G HA3 0.221 4.156 3.960 -0.042 0.000 0.314 229 G C -0.742 173.946 174.900 -0.353 0.000 1.130 229 G CA -0.473 44.344 45.100 -0.473 0.000 0.864 229 G HN 0.701 nan 8.290 nan 0.000 0.486 230 E N 2.029 122.026 120.200 -0.337 0.000 2.003 230 E HA 0.222 4.547 4.350 -0.042 0.000 0.279 230 E C -0.702 175.773 176.600 -0.209 0.000 1.132 230 E CA -0.266 56.018 56.400 -0.193 0.000 0.888 230 E CB 0.684 30.291 29.700 -0.156 0.000 1.056 230 E HN 0.089 nan 8.360 nan 0.000 0.399 231 V N 7.339 127.159 119.914 -0.157 0.000 2.294 231 V HA 0.125 4.220 4.120 -0.042 0.000 0.272 231 V C 0.462 176.485 176.094 -0.118 0.000 1.027 231 V CA -0.515 61.649 62.300 -0.227 0.000 0.823 231 V CB 1.096 32.705 31.823 -0.357 0.000 1.030 231 V HN 0.685 nan 8.190 nan 0.000 0.457 232 L N 5.170 126.256 121.223 -0.227 0.000 2.395 232 L HA 0.417 4.732 4.340 -0.042 0.000 0.268 232 L C -0.579 176.095 176.870 -0.328 0.000 1.223 232 L CA 0.571 55.113 54.840 -0.496 0.000 1.093 232 L CB -0.236 41.584 42.059 -0.399 0.000 1.349 232 L HN 0.672 nan 8.230 nan 0.000 0.427 233 D N 1.715 122.005 120.400 -0.182 0.000 2.878 233 D HA 0.157 4.772 4.640 -0.042 0.000 0.211 233 D C 0.478 176.903 176.300 0.208 0.000 1.271 233 D CA -0.254 53.719 54.000 -0.045 0.000 0.845 233 D CB 2.179 42.907 40.800 -0.119 0.000 1.679 233 D HN 0.379 nan 8.370 nan 0.000 0.536 234 G N 1.873 110.819 108.800 0.244 0.000 2.813 234 G HA2 -0.044 3.891 3.960 -0.042 0.000 0.209 234 G HA3 -0.044 3.891 3.960 -0.042 0.000 0.209 234 G C 0.531 175.570 174.900 0.232 0.000 1.150 234 G CA 0.053 45.401 45.100 0.414 0.000 0.785 234 G HN 0.372 nan 8.290 nan 0.000 0.535 235 D N 0.755 121.243 120.400 0.146 0.000 2.316 235 D HA 0.196 4.811 4.640 -0.042 0.000 0.245 235 D C -1.062 175.358 176.300 0.200 0.000 1.171 235 D CA -2.438 51.646 54.000 0.139 0.000 0.856 235 D CB 2.106 42.965 40.800 0.099 0.000 1.090 235 D HN 0.013 nan 8.370 nan 0.000 0.476 236 P HA -0.121 nan 4.420 nan 0.000 0.220 236 P C 0.924 178.319 177.300 0.158 0.000 1.148 236 P CA 0.738 63.938 63.100 0.166 0.000 0.803 236 P CB 0.198 31.975 31.700 0.129 0.000 0.782 237 A N -1.619 121.291 122.820 0.150 0.000 2.067 237 A HA -0.164 4.131 4.320 -0.042 0.000 0.219 237 A C 2.183 179.869 177.584 0.171 0.000 1.158 237 A CA 1.000 53.115 52.037 0.130 0.000 0.661 237 A CB -1.426 17.639 19.000 0.108 0.000 0.801 237 A HN 0.193 nan 8.150 nan 0.000 0.452 238 Y N -0.265 120.094 120.300 0.099 0.000 2.343 238 Y HA 0.009 4.533 4.550 -0.042 0.000 0.294 238 Y C 2.516 178.553 175.900 0.228 0.000 1.122 238 Y CA 1.878 60.060 58.100 0.137 0.000 1.173 238 Y CB 0.058 38.588 38.460 0.117 0.000 1.077 238 Y HN 0.238 nan 8.280 nan 0.000 0.542 239 T N -0.700 114.086 114.554 0.385 0.000 2.894 239 T HA -0.121 4.204 4.350 -0.042 0.000 0.258 239 T C 1.945 176.793 174.700 0.246 0.000 1.043 239 T CA 1.427 63.721 62.100 0.325 0.000 1.141 239 T CB -0.794 68.255 68.868 0.301 0.000 0.873 239 T HN 0.421 nan 8.240 nan 0.000 0.449 240 c N 1.737 120.444 118.600 0.178 0.000 2.425 240 c HA -0.002 4.543 4.570 -0.042 0.000 0.277 240 c C -0.231 173.911 174.090 0.087 0.000 1.280 240 c CA 0.445 56.849 56.329 0.125 0.000 1.744 240 c CB -1.454 41.115 42.510 0.099 0.000 1.989 240 c HN 0.461 nan 8.230 nan 0.000 0.491 241 P HA -0.123 nan 4.420 nan 0.000 0.221 241 P C 0.806 178.046 177.300 -0.100 0.000 1.145 241 P CA 1.334 64.402 63.100 -0.054 0.000 0.795 241 P CB -0.277 31.343 31.700 -0.135 0.000 0.775 242 Y N -0.607 119.649 120.300 -0.073 0.000 2.497 242 Y HA -0.117 4.408 4.550 -0.042 0.000 0.292 242 Y C 2.466 178.328 175.900 -0.063 0.000 1.137 242 Y CA 1.037 59.088 58.100 -0.081 0.000 1.285 242 Y CB -0.627 37.756 38.460 -0.128 0.000 0.991 242 Y HN 0.051 nan 8.280 nan 0.000 0.556 243 Q N 0.144 119.994 119.800 0.083 0.000 2.500 243 Q HA -0.144 4.171 4.340 -0.042 0.000 0.213 243 Q C 1.177 177.192 176.000 0.025 0.000 0.974 243 Q CA 0.608 56.437 55.803 0.044 0.000 0.918 243 Q CB 0.043 28.810 28.738 0.049 0.000 0.980 243 Q HN 0.476 nan 8.270 nan 0.000 0.505 244 N N -0.603 118.100 118.700 0.005 0.000 2.457 244 N HA -0.080 4.635 4.740 -0.042 0.000 0.180 244 N C 1.331 176.849 175.510 0.014 0.000 1.050 244 N CA 1.090 54.139 53.050 -0.002 0.000 0.906 244 N CB 0.698 39.168 38.487 -0.029 0.000 0.968 244 N HN 0.264 nan 8.380 nan 0.000 0.445 245 V N -3.323 116.611 119.914 0.034 0.000 3.556 245 V HA 0.447 4.542 4.120 -0.042 0.000 0.287 245 V C 0.513 176.668 176.094 0.102 0.000 1.422 245 V CA -0.114 62.240 62.300 0.091 0.000 1.038 245 V CB 0.167 32.087 31.823 0.161 0.000 0.850 245 V HN 0.004 nan 8.190 nan 0.000 0.437 246 M N 0.045 119.666 119.600 0.036 0.000 2.520 246 M HA 0.463 4.918 4.480 -0.042 0.000 0.283 246 M C -0.365 175.906 176.300 -0.049 0.000 1.237 246 M CA -0.419 54.863 55.300 -0.030 0.000 0.885 246 M CB 2.278 34.794 32.600 -0.140 0.000 1.727 246 M HN -0.014 nan 8.290 nan 0.000 0.468 247 D N 1.792 122.140 120.400 -0.085 0.000 2.104 247 D HA 0.040 4.655 4.640 -0.042 0.000 0.194 247 D C 0.688 177.009 176.300 0.036 0.000 0.994 247 D CA 1.587 55.585 54.000 -0.003 0.000 0.830 247 D CB 0.120 40.945 40.800 0.042 0.000 0.959 247 D HN 0.705 nan 8.370 nan 0.000 0.452 248 G N -0.909 107.825 108.800 -0.109 0.000 2.694 248 G HA2 0.550 4.485 3.960 -0.042 0.000 0.290 248 G HA3 0.550 4.485 3.960 -0.042 0.000 0.290 248 G C -1.103 173.725 174.900 -0.121 0.000 1.386 248 G CA -0.380 44.706 45.100 -0.024 0.000 0.872 248 G HN 0.104 nan 8.290 nan 0.000 0.475 249 V N -1.789 118.102 119.914 -0.038 0.000 3.078 249 V HA 0.737 4.832 4.120 -0.042 0.000 0.311 249 V C -0.019 176.081 176.094 0.011 0.000 1.138 249 V CA -1.279 60.982 62.300 -0.064 0.000 1.007 249 V CB 1.453 33.264 31.823 -0.021 0.000 1.045 249 V HN 0.766 nan 8.190 nan 0.000 0.432 250 L N 2.065 123.291 121.223 0.005 0.000 2.485 250 L HA 0.264 4.579 4.340 -0.042 0.000 0.275 250 L C 0.911 177.938 176.870 0.263 0.000 1.207 250 L CA 0.035 54.946 54.840 0.119 0.000 0.855 250 L CB 0.125 42.188 42.059 0.008 0.000 1.114 250 L HN 0.783 nan 8.230 nan 0.000 0.485 251 N N 1.626 120.509 118.700 0.304 0.000 3.254 251 N HA -0.023 4.692 4.740 -0.042 0.000 0.308 251 N C 0.714 176.281 175.510 0.095 0.000 1.281 251 N CA 0.186 53.346 53.050 0.183 0.000 1.212 251 N CB -0.098 38.456 38.487 0.113 0.000 1.478 251 N HN 0.436 nan 8.380 nan 0.000 0.548 252 Y N 0.992 121.445 120.300 0.255 0.000 2.224 252 Y HA -0.066 4.459 4.550 -0.041 0.000 0.289 252 Y C -0.602 175.417 175.900 0.198 0.000 1.146 252 Y CA 1.173 59.401 58.100 0.213 0.000 1.182 252 Y CB -0.897 37.733 38.460 0.282 0.000 0.983 252 Y HN 0.404 nan 8.280 nan 0.000 0.524 253 P HA -0.232 nan 4.420 nan 0.000 0.216 253 P C 1.608 179.018 177.300 0.183 0.000 1.153 253 P CA 1.626 64.894 63.100 0.281 0.000 0.858 253 P CB 0.021 31.848 31.700 0.212 0.000 0.789 254 I N -2.356 118.269 120.570 0.091 0.000 2.353 254 I HA -0.198 3.947 4.170 -0.042 0.000 0.248 254 I C 2.246 178.297 176.117 -0.111 0.000 1.119 254 I CA 1.161 62.472 61.300 0.018 0.000 1.417 254 I CB -1.302 36.738 38.000 0.067 0.000 1.078 254 I HN -0.024 nan 8.210 nan 0.000 0.421 255 Y N 2.074 122.137 120.300 -0.395 0.000 2.030 255 Y HA -0.373 4.152 4.550 -0.042 0.000 0.272 255 Y C 2.583 178.247 175.900 -0.393 0.000 1.185 255 Y CA 1.991 59.707 58.100 -0.641 0.000 1.120 255 Y CB -1.099 36.734 38.460 -1.045 0.000 0.955 255 Y HN 0.134 nan 8.280 nan 0.000 0.495 256 Y N 0.255 120.391 120.300 -0.275 0.000 2.089 256 Y HA -0.168 4.358 4.550 -0.041 0.000 0.282 256 Y C 0.005 175.734 175.900 -0.284 0.000 1.139 256 Y CA 1.953 59.853 58.100 -0.333 0.000 1.123 256 Y CB -2.344 36.075 38.460 -0.068 0.000 0.980 256 Y HN 0.211 nan 8.280 nan 0.000 0.493 257 P HA -0.142 nan 4.420 nan 0.000 0.219 257 P C 1.839 179.042 177.300 -0.162 0.000 1.150 257 P CA 1.158 64.209 63.100 -0.083 0.000 0.814 257 P CB -0.018 31.661 31.700 -0.034 0.000 0.787 258 L N -0.017 121.074 121.223 -0.219 0.000 1.994 258 L HA -0.124 4.191 4.340 -0.042 0.000 0.208 258 L C 2.438 179.246 176.870 -0.104 0.000 1.071 258 L CA 1.666 56.364 54.840 -0.237 0.000 0.745 258 L CB -1.776 40.086 42.059 -0.328 0.000 0.892 258 L HN -0.151 nan 8.230 nan 0.000 0.431 259 L N 0.118 121.197 121.223 -0.240 0.000 2.012 259 L HA -0.216 4.099 4.340 -0.042 0.000 0.210 259 L C 2.198 178.991 176.870 -0.128 0.000 1.073 259 L CA 1.868 56.609 54.840 -0.166 0.000 0.748 259 L CB -1.097 40.664 42.059 -0.496 0.000 0.891 259 L HN 0.383 nan 8.230 nan 0.000 0.431 260 N N 0.234 118.822 118.700 -0.186 0.000 2.166 260 N HA -0.110 4.605 4.740 -0.042 0.000 0.186 260 N C 1.841 177.264 175.510 -0.146 0.000 1.019 260 N CA 1.452 54.408 53.050 -0.156 0.000 0.856 260 N CB -0.489 37.921 38.487 -0.128 0.000 0.993 260 N HN 0.555 nan 8.380 nan 0.000 0.426 261 A N -0.258 122.442 122.820 -0.199 0.000 1.972 261 A HA -0.043 4.252 4.320 -0.042 0.000 0.219 261 A C 1.395 178.674 177.584 -0.509 0.000 1.169 261 A CA 1.104 52.894 52.037 -0.412 0.000 0.635 261 A CB -0.453 18.169 19.000 -0.630 0.000 0.810 261 A HN 0.248 nan 8.150 nan 0.000 0.446 262 F N -0.721 119.250 119.950 0.035 0.000 2.706 262 F HA 0.163 4.666 4.527 -0.041 0.000 0.308 262 F C 1.898 177.875 175.800 0.295 0.000 1.095 262 F CA 0.507 58.602 58.000 0.159 0.000 1.244 262 F CB 0.371 39.453 39.000 0.137 0.000 1.063 262 F HN 0.260 nan 8.300 nan 0.000 0.582 263 K N 0.699 121.254 120.400 0.258 0.000 2.439 263 K HA 0.083 4.378 4.320 -0.042 0.000 0.197 263 K C 0.353 176.959 176.600 0.010 0.000 1.041 263 K CA 0.880 57.158 56.287 -0.015 0.000 0.970 263 K CB -0.004 32.314 32.500 -0.304 0.000 0.773 263 K HN 0.221 nan 8.250 nan 0.000 0.479 264 S N -0.869 114.862 115.700 0.051 0.000 2.625 264 S HA 0.119 4.564 4.470 -0.042 0.000 0.271 264 S C 0.484 175.110 174.600 0.043 0.000 1.161 264 S CA -0.380 57.846 58.200 0.045 0.000 0.820 264 S CB 1.259 64.466 63.200 0.012 0.000 1.137 264 S HN 0.180 nan 8.310 nan 0.000 0.470 265 T N -1.226 113.355 114.554 0.045 0.000 3.163 265 T HA 0.086 4.411 4.350 -0.042 0.000 0.260 265 T C 1.187 175.887 174.700 -0.001 0.000 1.156 265 T CA 0.886 63.008 62.100 0.037 0.000 1.072 265 T CB -0.728 68.169 68.868 0.048 0.000 0.937 265 T HN 1.106 nan 8.240 nan 0.000 0.528 266 S N -0.261 115.430 115.700 -0.016 0.000 2.663 266 S HA 0.514 4.959 4.470 -0.042 0.000 0.243 266 S C 1.062 175.625 174.600 -0.062 0.000 1.009 266 S CA -0.510 57.669 58.200 -0.035 0.000 0.988 266 S CB -0.074 63.111 63.200 -0.025 0.000 0.896 266 S HN 0.605 nan 8.310 nan 0.000 0.502 267 G N 1.375 110.124 108.800 -0.085 0.000 2.614 267 G HA2 0.367 4.302 3.960 -0.042 0.000 0.239 267 G HA3 0.367 4.302 3.960 -0.042 0.000 0.239 267 G C -0.287 174.521 174.900 -0.154 0.000 1.240 267 G CA -0.323 44.701 45.100 -0.128 0.000 0.842 267 G HN 0.431 nan 8.290 nan 0.000 0.584 268 S N 1.385 116.996 115.700 -0.148 0.000 2.411 268 S HA 0.220 4.665 4.470 -0.042 0.000 0.294 268 S C 1.636 176.139 174.600 -0.162 0.000 1.115 268 S CA -0.810 57.311 58.200 -0.132 0.000 1.071 268 S CB 0.418 63.562 63.200 -0.094 0.000 0.967 268 S HN 0.399 nan 8.310 nan 0.000 0.488 269 M N 3.292 122.793 119.600 -0.165 0.000 2.175 269 M HA -0.036 4.419 4.480 -0.042 0.000 0.264 269 M C 1.315 177.576 176.300 -0.065 0.000 1.063 269 M CA 1.269 56.484 55.300 -0.141 0.000 1.119 269 M CB -1.490 31.036 32.600 -0.123 0.000 1.377 269 M HN 0.577 nan 8.290 nan 0.000 0.415 270 D N 1.120 121.466 120.400 -0.089 0.000 2.106 270 D HA -0.182 4.433 4.640 -0.042 0.000 0.191 270 D C 1.566 177.873 176.300 0.012 0.000 0.997 270 D CA 1.424 55.381 54.000 -0.071 0.000 0.834 270 D CB -0.308 40.435 40.800 -0.094 0.000 0.956 270 D HN 0.292 nan 8.370 nan 0.000 0.448 271 D N -0.337 120.054 120.400 -0.015 0.000 2.149 271 D HA -0.129 4.486 4.640 -0.042 0.000 0.198 271 D C 2.083 178.400 176.300 0.029 0.000 0.990 271 D CA 0.368 54.371 54.000 0.004 0.000 0.839 271 D CB -0.308 40.477 40.800 -0.024 0.000 0.948 271 D HN 0.150 nan 8.370 nan 0.000 0.460 272 L N -0.260 120.966 121.223 0.005 0.000 2.023 272 L HA -0.126 4.189 4.340 -0.042 0.000 0.205 272 L C 2.205 179.141 176.870 0.110 0.000 1.073 272 L CA 1.450 56.292 54.840 0.003 0.000 0.745 272 L CB -1.056 40.952 42.059 -0.087 0.000 0.900 272 L HN 0.004 nan 8.230 nan 0.000 0.435 273 Y N 0.850 121.156 120.300 0.009 0.000 2.069 273 Y HA -0.354 4.172 4.550 -0.041 0.000 0.278 273 Y C 2.440 178.376 175.900 0.060 0.000 1.175 273 Y CA 2.418 60.548 58.100 0.050 0.000 1.134 273 Y CB -0.413 38.056 38.460 0.016 0.000 0.965 273 Y HN 0.383 nan 8.280 nan 0.000 0.498 274 N N -0.344 118.544 118.700 0.313 0.000 2.188 274 N HA -0.171 4.544 4.740 -0.042 0.000 0.184 274 N C 1.804 177.384 175.510 0.117 0.000 1.018 274 N CA 1.579 54.757 53.050 0.213 0.000 0.858 274 N CB -0.501 38.080 38.487 0.157 0.000 0.989 274 N HN 0.437 nan 8.380 nan 0.000 0.426 275 M N 0.751 120.411 119.600 0.100 0.000 2.175 275 M HA 0.099 4.554 4.480 -0.042 0.000 0.264 275 M C 1.684 178.036 176.300 0.087 0.000 1.063 275 M CA 0.951 56.303 55.300 0.086 0.000 1.119 275 M CB -0.274 32.373 32.600 0.079 0.000 1.377 275 M HN 0.021 nan 8.290 nan 0.000 0.415 276 I N 0.266 120.890 120.570 0.089 0.000 2.163 276 I HA -0.358 3.787 4.170 -0.042 0.000 0.243 276 I C 1.820 177.965 176.117 0.046 0.000 1.085 276 I CA 1.199 62.553 61.300 0.090 0.000 1.347 276 I CB -0.700 37.356 38.000 0.092 0.000 1.044 276 I HN 0.343 nan 8.210 nan 0.000 0.408 277 N N 0.025 118.736 118.700 0.018 0.000 2.270 277 N HA -0.105 4.610 4.740 -0.042 0.000 0.181 277 N C 1.850 177.380 175.510 0.035 0.000 1.016 277 N CA 1.432 54.491 53.050 0.015 0.000 0.870 277 N CB -0.423 38.073 38.487 0.015 0.000 0.979 277 N HN 0.295 nan 8.380 nan 0.000 0.431 278 T N 0.749 115.335 114.554 0.053 0.000 2.777 278 T HA -0.019 4.306 4.350 -0.042 0.000 0.266 278 T C 2.118 176.851 174.700 0.055 0.000 1.040 278 T CA 0.717 62.850 62.100 0.056 0.000 1.141 278 T CB -0.134 68.774 68.868 0.067 0.000 0.868 278 T HN -0.043 nan 8.240 nan 0.000 0.444 279 V N 1.542 121.494 119.914 0.064 0.000 2.427 279 V HA -0.128 3.967 4.120 -0.042 0.000 0.248 279 V C 2.451 178.573 176.094 0.046 0.000 1.051 279 V CA 1.612 63.953 62.300 0.067 0.000 1.048 279 V CB -0.506 31.368 31.823 0.085 0.000 0.666 279 V HN 0.448 nan 8.190 nan 0.000 0.456 280 K N 1.036 121.455 120.400 0.032 0.000 2.063 280 K HA -0.216 4.079 4.320 -0.042 0.000 0.208 280 K C 2.223 178.820 176.600 -0.005 0.000 1.048 280 K CA 2.134 58.425 56.287 0.006 0.000 0.928 280 K CB -0.202 32.292 32.500 -0.009 0.000 0.713 280 K HN 0.620 nan 8.250 nan 0.000 0.442 281 S N -0.808 114.893 115.700 0.002 0.000 2.470 281 S HA 0.021 4.466 4.470 -0.042 0.000 0.222 281 S C 1.098 175.702 174.600 0.006 0.000 1.024 281 S CA 0.523 58.720 58.200 -0.006 0.000 0.931 281 S CB 0.189 63.386 63.200 -0.005 0.000 0.791 281 S HN 0.267 nan 8.310 nan 0.000 0.513 282 D N 0.768 121.181 120.400 0.022 0.000 2.355 282 D HA 0.256 4.871 4.640 -0.042 0.000 0.206 282 D C 0.072 176.393 176.300 0.034 0.000 1.010 282 D CA 0.027 54.044 54.000 0.029 0.000 0.875 282 D CB 0.075 40.900 40.800 0.042 0.000 0.966 282 D HN 0.361 nan 8.370 nan 0.000 0.512 283 c N 1.753 120.376 118.600 0.039 0.000 2.452 283 c HA 0.223 4.768 4.570 -0.042 0.000 0.379 283 c C -0.795 173.314 174.090 0.031 0.000 1.275 283 c CA -1.318 55.038 56.329 0.045 0.000 2.056 283 c CB 1.571 44.118 42.510 0.061 0.000 2.506 283 c HN 0.166 nan 8.230 nan 0.000 0.560 284 P HA -0.143 nan 4.420 nan 0.000 0.216 284 P C 0.068 177.382 177.300 0.023 0.000 1.157 284 P CA 1.817 64.931 63.100 0.023 0.000 0.880 284 P CB 0.145 31.861 31.700 0.026 0.000 0.791 285 D N -2.711 117.710 120.400 0.034 0.000 2.354 285 D HA 0.067 4.682 4.640 -0.042 0.000 0.230 285 D C 0.729 177.056 176.300 0.044 0.000 1.361 285 D CA -0.090 53.929 54.000 0.032 0.000 0.992 285 D CB 0.362 41.184 40.800 0.036 0.000 1.409 285 D HN -0.145 nan 8.370 nan 0.000 0.573 286 S N 1.144 116.865 115.700 0.034 0.000 2.420 286 S HA -0.230 4.215 4.470 -0.042 0.000 0.237 286 S C 1.727 176.355 174.600 0.046 0.000 1.023 286 S CA 1.787 60.013 58.200 0.043 0.000 0.991 286 S CB -0.665 62.552 63.200 0.029 0.000 0.792 286 S HN 0.542 nan 8.310 nan 0.000 0.488 287 T N -0.724 113.849 114.554 0.032 0.000 3.160 287 T HA 0.281 4.606 4.350 -0.042 0.000 0.257 287 T C 1.190 175.924 174.700 0.057 0.000 1.147 287 T CA 0.244 62.363 62.100 0.031 0.000 1.064 287 T CB -0.477 68.396 68.868 0.009 0.000 0.949 287 T HN 0.447 nan 8.240 nan 0.000 0.526 288 L N 0.335 121.608 121.223 0.082 0.000 2.728 288 L HA 0.467 4.782 4.340 -0.042 0.000 0.238 288 L C 0.356 177.336 176.870 0.184 0.000 1.143 288 L CA -0.275 54.643 54.840 0.131 0.000 0.937 288 L CB 0.106 42.267 42.059 0.169 0.000 1.225 288 L HN 0.229 nan 8.230 nan 0.000 0.507 289 L N -0.581 120.725 121.223 0.138 0.000 2.431 289 L HA 0.564 4.879 4.340 -0.042 0.000 0.260 289 L C 0.605 177.573 176.870 0.162 0.000 1.098 289 L CA -0.577 54.347 54.840 0.140 0.000 0.800 289 L CB 0.717 42.849 42.059 0.122 0.000 1.210 289 L HN -0.052 nan 8.230 nan 0.000 0.465 290 G N -0.330 108.573 108.800 0.172 0.000 2.487 290 G HA2 0.515 4.450 3.960 -0.042 0.000 0.314 290 G HA3 0.515 4.450 3.960 -0.042 0.000 0.314 290 G C -0.635 174.434 174.900 0.282 0.000 1.267 290 G CA -0.217 45.011 45.100 0.214 0.000 0.937 290 G HN 0.446 nan 8.290 nan 0.000 0.481 291 T N 2.114 116.821 114.554 0.253 0.000 2.845 291 T HA 0.633 4.958 4.350 -0.042 0.000 0.288 291 T C -0.545 174.344 174.700 0.315 0.000 0.980 291 T CA 0.050 62.282 62.100 0.221 0.000 1.071 291 T CB 0.562 69.532 68.868 0.170 0.000 0.941 291 T HN 0.604 nan 8.240 nan 0.000 0.487 292 F N -0.035 119.976 119.950 0.103 0.000 2.668 292 F HA 0.721 5.223 4.527 -0.043 0.000 0.309 292 F C -0.471 175.420 175.800 0.152 0.000 1.117 292 F CA -1.317 56.738 58.000 0.092 0.000 0.951 292 F CB 1.051 40.048 39.000 -0.005 0.000 1.323 292 F HN 0.225 nan 8.300 nan 0.000 0.451 293 V N 0.355 120.431 119.914 0.270 0.000 3.398 293 V HA 0.386 4.481 4.120 -0.042 0.000 0.298 293 V C -0.759 175.667 176.094 0.553 0.000 1.496 293 V CA 0.471 62.977 62.300 0.344 0.000 1.044 293 V CB 0.211 32.142 31.823 0.181 0.000 0.880 293 V HN 0.860 nan 8.190 nan 0.000 0.443 294 E N 1.359 121.877 120.200 0.530 0.000 2.304 294 E HA 0.502 4.827 4.350 -0.042 0.000 0.277 294 E C -1.057 175.761 176.600 0.363 0.000 0.898 294 E CA -0.384 56.299 56.400 0.471 0.000 0.764 294 E CB 1.738 31.704 29.700 0.443 0.000 1.216 294 E HN 0.561 nan 8.360 nan 0.000 0.419 295 N N 0.660 119.497 118.700 0.230 0.000 3.449 295 N HA 0.140 4.855 4.740 -0.042 0.000 0.312 295 N C -0.167 175.279 175.510 -0.106 0.000 1.582 295 N CA -0.503 52.482 53.050 -0.108 0.000 0.850 295 N CB -0.001 38.348 38.487 -0.231 0.000 1.822 295 N HN 0.515 nan 8.380 nan 0.000 0.577 296 H N -2.198 116.600 119.070 -0.454 0.000 2.526 296 H HA 0.396 4.927 4.556 -0.041 0.000 0.274 296 H C -0.801 174.488 175.328 -0.066 0.000 0.999 296 H CA 0.057 55.967 56.048 -0.230 0.000 1.157 296 H CB -0.328 29.311 29.762 -0.204 0.000 1.407 296 H HN 0.521 nan 8.280 nan 0.000 0.568 297 D N 0.089 120.391 120.400 -0.164 0.000 2.503 297 D HA 0.157 4.772 4.640 -0.042 0.000 0.218 297 D C -0.221 176.076 176.300 -0.005 0.000 1.183 297 D CA -0.061 53.827 54.000 -0.186 0.000 0.827 297 D CB 0.775 41.402 40.800 -0.288 0.000 1.034 297 D HN 0.285 nan 8.370 nan 0.000 0.510 298 N N 0.551 119.303 118.700 0.087 0.000 2.494 298 N HA 0.307 5.022 4.740 -0.042 0.000 0.270 298 N C -2.892 172.755 175.510 0.229 0.000 1.285 298 N CA -1.278 51.892 53.050 0.200 0.000 0.812 298 N CB 2.703 41.367 38.487 0.295 0.000 1.557 298 N HN -0.293 nan 8.380 nan 0.000 0.487 299 P HA 0.079 nan 4.420 nan 0.000 0.266 299 P C -0.019 177.453 177.300 0.287 0.000 1.195 299 P CA 0.202 63.391 63.100 0.149 0.000 0.768 299 P CB 0.705 32.372 31.700 -0.055 0.000 0.838 300 R N 1.708 122.343 120.500 0.226 0.000 2.784 300 R HA 0.049 4.364 4.340 -0.042 0.000 0.266 300 R C 1.203 177.733 176.300 0.383 0.000 1.044 300 R CA -0.151 56.140 56.100 0.319 0.000 1.151 300 R CB -0.172 30.273 30.300 0.241 0.000 1.037 300 R HN 0.474 nan 8.270 nan 0.000 0.478 301 F N 1.860 122.004 119.950 0.324 0.000 2.095 301 F HA -0.220 4.283 4.527 -0.040 0.000 0.298 301 F C 2.031 178.016 175.800 0.308 0.000 1.104 301 F CA 2.163 60.371 58.000 0.348 0.000 1.232 301 F CB -0.246 38.906 39.000 0.253 0.000 0.987 301 F HN 0.628 nan 8.300 nan 0.000 0.475 302 A N -0.511 122.437 122.820 0.214 0.000 2.172 302 A HA -0.091 4.204 4.320 -0.042 0.000 0.216 302 A C 2.225 179.742 177.584 -0.112 0.000 1.154 302 A CA 1.316 53.338 52.037 -0.025 0.000 0.701 302 A CB -1.278 17.546 19.000 -0.295 0.000 0.789 302 A HN 0.532 nan 8.150 nan 0.000 0.465 303 S N -1.516 114.129 115.700 -0.092 0.000 2.447 303 S HA -0.138 4.307 4.470 -0.042 0.000 0.233 303 S C 1.645 176.050 174.600 -0.324 0.000 1.006 303 S CA 1.180 59.253 58.200 -0.212 0.000 0.957 303 S CB -0.666 62.377 63.200 -0.261 0.000 0.773 303 S HN 0.596 nan 8.310 nan 0.000 0.507 304 Y N 1.480 121.664 120.300 -0.194 0.000 2.347 304 Y HA 0.346 4.871 4.550 -0.042 0.000 0.294 304 Y C 1.514 177.298 175.900 -0.193 0.000 1.117 304 Y CA 0.840 58.817 58.100 -0.205 0.000 1.184 304 Y CB 0.009 38.288 38.460 -0.301 0.000 1.047 304 Y HN 0.360 nan 8.280 nan 0.000 0.546 305 T N -1.285 113.214 114.554 -0.092 0.000 2.982 305 T HA 0.230 4.555 4.350 -0.042 0.000 0.321 305 T C -0.370 174.350 174.700 0.033 0.000 1.229 305 T CA -0.659 61.424 62.100 -0.028 0.000 1.044 305 T CB 0.982 69.847 68.868 -0.005 0.000 1.184 305 T HN 0.195 nan 8.240 nan 0.000 0.477 306 N N 2.155 120.910 118.700 0.092 0.000 2.322 306 N HA 0.048 4.763 4.740 -0.042 0.000 0.194 306 N C -0.198 175.514 175.510 0.337 0.000 1.126 306 N CA -0.214 52.953 53.050 0.194 0.000 0.845 306 N CB 0.266 38.833 38.487 0.133 0.000 0.976 306 N HN 0.559 nan 8.380 nan 0.000 0.475 307 D N 1.393 121.951 120.400 0.263 0.000 2.382 307 D HA -0.054 4.561 4.640 -0.042 0.000 0.259 307 D C 1.105 177.551 176.300 0.244 0.000 1.224 307 D CA -0.122 54.012 54.000 0.224 0.000 0.894 307 D CB 0.919 41.835 40.800 0.192 0.000 1.127 307 D HN 0.116 nan 8.370 nan 0.000 0.487 308 I N 5.112 125.748 120.570 0.110 0.000 2.394 308 I HA -0.183 3.962 4.170 -0.042 0.000 0.251 308 I C 2.127 178.261 176.117 0.029 0.000 1.136 308 I CA 1.417 62.694 61.300 -0.038 0.000 1.425 308 I CB -0.112 37.817 38.000 -0.118 0.000 1.079 308 I HN 0.535 nan 8.210 nan 0.000 0.425 309 A N 0.323 123.186 122.820 0.071 0.000 1.902 309 A HA -0.152 4.143 4.320 -0.042 0.000 0.217 309 A C 2.280 179.924 177.584 0.100 0.000 1.181 309 A CA 1.780 53.859 52.037 0.071 0.000 0.623 309 A CB -1.016 18.036 19.000 0.086 0.000 0.818 309 A HN 0.478 nan 8.150 nan 0.000 0.443 310 L N -0.759 120.581 121.223 0.196 0.000 2.042 310 L HA -0.237 4.078 4.340 -0.042 0.000 0.210 310 L C 3.059 179.998 176.870 0.115 0.000 1.076 310 L CA 1.182 56.194 54.840 0.286 0.000 0.749 310 L CB -0.571 41.783 42.059 0.492 0.000 0.893 310 L HN 0.453 nan 8.230 nan 0.000 0.432 311 A N -0.062 122.870 122.820 0.186 0.000 1.969 311 A HA -0.178 4.117 4.320 -0.042 0.000 0.218 311 A C 2.318 179.794 177.584 -0.179 0.000 1.169 311 A CA 1.396 53.399 52.037 -0.057 0.000 0.635 311 A CB -0.256 18.901 19.000 0.263 0.000 0.810 311 A HN 0.323 nan 8.150 nan 0.000 0.445 312 K N -0.051 120.293 120.400 -0.093 0.000 2.057 312 K HA -0.092 4.203 4.320 -0.042 0.000 0.206 312 K C 1.770 178.268 176.600 -0.170 0.000 1.050 312 K CA 1.303 57.529 56.287 -0.103 0.000 0.935 312 K CB -0.235 32.232 32.500 -0.055 0.000 0.715 312 K HN 0.449 nan 8.250 nan 0.000 0.439 313 N N 0.794 119.363 118.700 -0.219 0.000 2.120 313 N HA -0.155 4.560 4.740 -0.042 0.000 0.188 313 N C 1.875 177.012 175.510 -0.622 0.000 1.024 313 N CA 1.066 53.893 53.050 -0.372 0.000 0.852 313 N CB -0.165 38.090 38.487 -0.387 0.000 1.003 313 N HN -0.013 nan 8.380 nan 0.000 0.424 314 V N 1.547 121.005 119.914 -0.760 0.000 2.515 314 V HA -0.112 3.983 4.120 -0.042 0.000 0.250 314 V C 2.278 178.188 176.094 -0.306 0.000 1.058 314 V CA 1.721 63.600 62.300 -0.701 0.000 1.064 314 V CB -0.521 30.790 31.823 -0.853 0.000 0.675 314 V HN 0.259 nan 8.190 nan 0.000 0.461 315 A N -0.105 122.563 122.820 -0.253 0.000 1.902 315 A HA -0.059 4.236 4.320 -0.042 0.000 0.217 315 A C 2.440 179.991 177.584 -0.056 0.000 1.181 315 A CA 2.020 54.001 52.037 -0.094 0.000 0.623 315 A CB -1.001 17.961 19.000 -0.064 0.000 0.818 315 A HN 0.754 nan 8.150 nan 0.000 0.443 316 A N -1.069 121.697 122.820 -0.090 0.000 1.908 316 A HA -0.128 4.167 4.320 -0.042 0.000 0.218 316 A C 2.069 179.637 177.584 -0.026 0.000 1.181 316 A CA 1.743 53.743 52.037 -0.060 0.000 0.627 316 A CB -0.787 18.174 19.000 -0.064 0.000 0.818 316 A HN 0.709 nan 8.150 nan 0.000 0.445 317 F N 0.531 120.390 119.950 -0.152 0.000 2.095 317 F HA -0.174 4.330 4.527 -0.039 0.000 0.298 317 F C 1.966 177.749 175.800 -0.029 0.000 1.104 317 F CA 1.843 59.791 58.000 -0.087 0.000 1.232 317 F CB -0.244 38.679 39.000 -0.128 0.000 0.987 317 F HN 0.187 nan 8.300 nan 0.000 0.475 318 I N 0.128 120.803 120.570 0.174 0.000 2.208 318 I HA -0.339 3.806 4.170 -0.042 0.000 0.245 318 I C 2.274 178.413 176.117 0.036 0.000 1.097 318 I CA 1.576 62.964 61.300 0.146 0.000 1.363 318 I CB -0.446 37.656 38.000 0.170 0.000 1.051 318 I HN 0.171 nan 8.210 nan 0.000 0.413 319 I N -0.139 120.434 120.570 0.005 0.000 2.500 319 I HA -0.205 3.940 4.170 -0.042 0.000 0.252 319 I C 1.903 178.007 176.117 -0.021 0.000 1.142 319 I CA 1.149 62.449 61.300 0.000 0.000 1.451 319 I CB 0.029 38.007 38.000 -0.037 0.000 1.093 319 I HN 0.175 nan 8.210 nan 0.000 0.430 320 L N -0.346 120.818 121.223 -0.099 0.000 2.616 320 L HA 0.132 4.447 4.340 -0.042 0.000 0.229 320 L C 0.737 177.496 176.870 -0.185 0.000 1.110 320 L CA -0.276 54.521 54.840 -0.072 0.000 0.884 320 L CB -0.335 41.689 42.059 -0.058 0.000 1.115 320 L HN 0.185 nan 8.230 nan 0.000 0.481 321 N N 0.383 118.860 118.700 -0.372 0.000 2.371 321 N HA -0.026 4.689 4.740 -0.042 0.000 0.243 321 N C -0.255 175.162 175.510 -0.155 0.000 1.287 321 N CA -0.102 52.701 53.050 -0.412 0.000 0.911 321 N CB 0.446 38.610 38.487 -0.538 0.000 1.142 321 N HN -0.078 nan 8.380 nan 0.000 0.451 322 D N 0.009 120.344 120.400 -0.108 0.000 2.478 322 D HA 0.352 4.967 4.640 -0.042 0.000 0.234 322 D C 0.909 177.212 176.300 0.005 0.000 1.154 322 D CA 1.931 55.900 54.000 -0.052 0.000 0.874 322 D CB 0.044 40.832 40.800 -0.020 0.000 1.198 322 D HN 0.786 nan 8.370 nan 0.000 0.455 323 G N 0.636 109.454 108.800 0.030 0.000 2.627 323 G HA2 -0.195 3.740 3.960 -0.042 0.000 0.214 323 G HA3 -0.195 3.740 3.960 -0.042 0.000 0.214 323 G C -0.488 174.482 174.900 0.115 0.000 1.331 323 G CA -0.530 44.618 45.100 0.080 0.000 0.891 323 G HN 0.521 nan 8.290 nan 0.000 0.539 324 I N 2.504 123.170 120.570 0.159 0.000 2.304 324 I HA 0.327 4.472 4.170 -0.042 0.000 0.291 324 I C -1.996 174.258 176.117 0.229 0.000 1.018 324 I CA -1.936 59.489 61.300 0.209 0.000 1.260 324 I CB 1.892 40.049 38.000 0.263 0.000 1.390 324 I HN 0.172 nan 8.210 nan 0.000 0.475 325 P HA 0.212 nan 4.420 nan 0.000 0.269 325 P C -0.737 176.760 177.300 0.329 0.000 1.209 325 P CA 0.187 63.436 63.100 0.249 0.000 0.776 325 P CB 0.529 32.362 31.700 0.221 0.000 0.876 326 I N 3.468 124.238 120.570 0.333 0.000 2.497 326 I HA 0.329 4.474 4.170 -0.042 0.000 0.284 326 I C -0.484 175.807 176.117 0.291 0.000 1.060 326 I CA -0.595 60.902 61.300 0.328 0.000 1.071 326 I CB 1.407 39.607 38.000 0.333 0.000 1.216 326 I HN 0.062 nan 8.210 nan 0.000 0.442 327 I N 5.666 126.371 120.570 0.226 0.000 2.392 327 I HA 0.245 4.390 4.170 -0.042 0.000 0.295 327 I C -0.601 175.485 176.117 -0.052 0.000 0.985 327 I CA -0.713 60.684 61.300 0.160 0.000 1.221 327 I CB 1.615 39.795 38.000 0.301 0.000 1.366 327 I HN 0.434 nan 8.210 nan 0.000 0.467 328 Y N 6.063 126.272 120.300 -0.152 0.000 2.341 328 Y HA 0.567 5.092 4.550 -0.042 0.000 0.340 328 Y C 0.491 176.097 175.900 -0.490 0.000 0.997 328 Y CA -1.703 56.190 58.100 -0.344 0.000 1.149 328 Y CB 1.035 39.434 38.460 -0.102 0.000 1.171 328 Y HN 0.684 nan 8.280 nan 0.000 0.494 329 A N 4.454 126.660 122.820 -1.023 0.000 2.592 329 A HA 0.344 4.639 4.320 -0.042 0.000 0.250 329 A C 1.428 178.549 177.584 -0.772 0.000 1.017 329 A CA 1.512 53.034 52.037 -0.859 0.000 0.794 329 A CB -1.259 17.393 19.000 -0.581 0.000 0.917 329 A HN 1.983 nan 8.150 nan 0.000 0.515 330 G N 1.171 109.679 108.800 -0.488 0.000 2.307 330 G HA2 -0.303 3.632 3.960 -0.042 0.000 0.210 330 G HA3 -0.303 3.632 3.960 -0.042 0.000 0.210 330 G C 1.142 175.781 174.900 -0.435 0.000 1.005 330 G CA 0.838 45.426 45.100 -0.854 0.000 0.634 330 G HN 0.928 nan 8.290 nan 0.000 0.496 331 Q N 0.716 120.392 119.800 -0.206 0.000 2.124 331 Q HA -0.139 4.176 4.340 -0.042 0.000 0.202 331 Q C 2.377 178.432 176.000 0.092 0.000 0.977 331 Q CA 2.013 57.832 55.803 0.027 0.000 0.850 331 Q CB -0.172 28.617 28.738 0.084 0.000 0.901 331 Q HN 0.712 nan 8.270 nan 0.000 0.429 332 E N -0.447 119.807 120.200 0.089 0.000 2.418 332 E HA -0.173 4.152 4.350 -0.042 0.000 0.197 332 E C 0.701 177.402 176.600 0.169 0.000 1.026 332 E CA 0.723 57.218 56.400 0.158 0.000 0.862 332 E CB 0.167 29.996 29.700 0.215 0.000 0.799 332 E HN 0.385 nan 8.360 nan 0.000 0.518 333 Q N 0.305 120.146 119.800 0.067 0.000 2.188 333 Q HA 0.069 4.384 4.340 -0.042 0.000 0.212 333 Q C -0.401 175.755 176.000 0.260 0.000 0.846 333 Q CA -0.159 55.704 55.803 0.099 0.000 0.989 333 Q CB -0.547 28.144 28.738 -0.077 0.000 1.114 333 Q HN 0.518 nan 8.270 nan 0.000 0.488 334 H N -0.204 118.941 119.070 0.126 0.000 2.839 334 H HA -0.199 4.332 4.556 -0.042 0.000 0.298 334 H C -0.882 174.615 175.328 0.282 0.000 1.224 334 H CA -0.172 55.992 56.048 0.194 0.000 1.144 334 H CB -0.587 29.277 29.762 0.170 0.000 1.372 334 H HN 0.133 nan 8.280 nan 0.000 0.408 335 Y N -0.057 120.265 120.300 0.037 0.000 2.578 335 Y HA 0.216 4.742 4.550 -0.040 0.000 0.339 335 Y C 1.170 177.026 175.900 -0.072 0.000 1.231 335 Y CA 0.431 58.503 58.100 -0.047 0.000 1.461 335 Y CB 0.835 39.250 38.460 -0.076 0.000 1.323 335 Y HN 0.408 nan 8.280 nan 0.000 0.590 336 A N 2.076 124.897 122.820 0.002 0.000 2.609 336 A HA 0.414 4.709 4.320 -0.042 0.000 0.286 336 A C 0.908 178.453 177.584 -0.065 0.000 1.138 336 A CA 0.164 52.165 52.037 -0.061 0.000 0.960 336 A CB -0.527 18.395 19.000 -0.130 0.000 1.208 336 A HN 0.804 nan 8.150 nan 0.000 0.541 337 G N 0.059 108.834 108.800 -0.042 0.000 2.432 337 G HA2 0.440 4.375 3.960 -0.042 0.000 0.239 337 G HA3 0.440 4.375 3.960 -0.042 0.000 0.239 337 G C 0.652 175.541 174.900 -0.019 0.000 1.291 337 G CA 0.331 45.404 45.100 -0.045 0.000 0.863 337 G HN 0.556 nan 8.290 nan 0.000 0.560 338 G N 0.804 109.574 108.800 -0.049 0.000 2.546 338 G HA2 0.208 4.143 3.960 -0.042 0.000 0.239 338 G HA3 0.208 4.143 3.960 -0.042 0.000 0.239 338 G C 0.443 175.344 174.900 0.001 0.000 1.476 338 G CA -0.763 44.304 45.100 -0.055 0.000 1.064 338 G HN 0.623 nan 8.290 nan 0.000 0.561 339 N N 0.947 119.644 118.700 -0.005 0.000 2.416 339 N HA 0.036 4.751 4.740 -0.042 0.000 0.246 339 N C 0.115 175.633 175.510 0.014 0.000 1.260 339 N CA -0.179 52.881 53.050 0.016 0.000 0.897 339 N CB 0.570 39.060 38.487 0.004 0.000 1.110 339 N HN 0.454 nan 8.380 nan 0.000 0.439 340 D N 1.497 121.907 120.400 0.017 0.000 2.877 340 D HA -0.101 4.514 4.640 -0.042 0.000 0.220 340 D C -1.406 174.901 176.300 0.011 0.000 1.089 340 D CA -0.453 53.560 54.000 0.022 0.000 0.811 340 D CB 0.565 41.348 40.800 -0.028 0.000 1.162 340 D HN 0.365 nan 8.370 nan 0.000 0.513 341 P HA 0.153 nan 4.420 nan 0.000 0.255 341 P C 0.647 177.977 177.300 0.050 0.000 1.248 341 P CA 0.020 63.170 63.100 0.083 0.000 0.807 341 P CB 0.333 32.088 31.700 0.091 0.000 1.150 342 A N 1.938 124.770 122.820 0.021 0.000 2.121 342 A HA -0.136 4.159 4.320 -0.042 0.000 0.218 342 A C 1.631 179.223 177.584 0.012 0.000 1.154 342 A CA 1.209 53.240 52.037 -0.010 0.000 0.679 342 A CB -1.061 17.921 19.000 -0.030 0.000 0.795 342 A HN 0.334 nan 8.150 nan 0.000 0.458 343 N N -0.978 117.771 118.700 0.081 0.000 2.314 343 N HA 0.075 4.790 4.740 -0.042 0.000 0.200 343 N C 0.284 175.944 175.510 0.249 0.000 1.135 343 N CA 0.059 53.210 53.050 0.169 0.000 0.835 343 N CB -0.145 38.479 38.487 0.228 0.000 0.989 343 N HN 0.256 nan 8.380 nan 0.000 0.478 344 R N 0.464 121.061 120.500 0.161 0.000 2.791 344 R HA 0.226 4.541 4.340 -0.042 0.000 0.357 344 R C -0.678 175.621 176.300 -0.002 0.000 1.173 344 R CA -0.432 55.771 56.100 0.171 0.000 1.060 344 R CB 0.004 30.458 30.300 0.257 0.000 1.406 344 R HN 0.286 nan 8.270 nan 0.000 0.580 345 E N 1.015 121.185 120.200 -0.050 0.000 2.442 345 E HA 0.155 4.480 4.350 -0.042 0.000 0.262 345 E C 0.056 176.538 176.600 -0.197 0.000 1.004 345 E CA 0.104 56.393 56.400 -0.186 0.000 0.928 345 E CB 0.474 29.963 29.700 -0.351 0.000 0.937 345 E HN 0.289 nan 8.360 nan 0.000 0.446 346 A N 2.870 125.421 122.820 -0.450 0.000 2.454 346 A HA 0.111 4.406 4.320 -0.042 0.000 0.260 346 A C 0.990 178.249 177.584 -0.542 0.000 1.106 346 A CA -0.286 51.264 52.037 -0.812 0.000 0.780 346 A CB 0.095 17.999 19.000 -1.826 0.000 1.044 346 A HN 0.704 nan 8.150 nan 0.000 0.498 347 T N 1.959 116.291 114.554 -0.370 0.000 2.867 347 T HA -0.172 4.153 4.350 -0.042 0.000 0.268 347 T C 1.417 175.779 174.700 -0.565 0.000 1.057 347 T CA 1.946 63.880 62.100 -0.278 0.000 1.136 347 T CB -0.374 68.460 68.868 -0.057 0.000 0.874 347 T HN 0.998 nan 8.240 nan 0.000 0.466 348 W N 1.879 122.851 121.300 -0.546 0.000 2.392 348 W HA 0.102 4.736 4.660 -0.043 0.000 0.279 348 W C 1.275 177.492 176.519 -0.503 0.000 1.225 348 W CA 0.098 56.966 57.345 -0.795 0.000 1.233 348 W CB -1.200 28.071 29.460 -0.315 0.000 1.122 348 W HN 0.117 nan 8.180 nan 0.000 0.561 349 L N 2.041 123.034 121.223 -0.384 0.000 2.353 349 L HA -0.176 4.139 4.340 -0.042 0.000 0.220 349 L C 2.762 179.566 176.870 -0.110 0.000 1.133 349 L CA 1.585 56.321 54.840 -0.173 0.000 0.798 349 L CB -0.859 41.042 42.059 -0.263 0.000 0.922 349 L HN 0.276 nan 8.230 nan 0.000 0.445 350 S N -0.830 114.789 115.700 -0.135 0.000 2.481 350 S HA 0.019 4.464 4.470 -0.042 0.000 0.231 350 S C 1.734 176.278 174.600 -0.092 0.000 0.996 350 S CA 0.557 58.733 58.200 -0.041 0.000 0.942 350 S CB 0.051 63.242 63.200 -0.016 0.000 0.768 350 S HN 0.528 nan 8.310 nan 0.000 0.520 351 G N 0.308 108.992 108.800 -0.193 0.000 2.179 351 G HA2 -0.331 3.604 3.960 -0.042 0.000 0.260 351 G HA3 -0.331 3.604 3.960 -0.042 0.000 0.260 351 G C 0.258 175.154 174.900 -0.006 0.000 0.977 351 G CA -0.021 45.030 45.100 -0.081 0.000 0.641 351 G HN 0.770 nan 8.290 nan 0.000 0.533 352 Y N -1.420 118.807 120.300 -0.121 0.000 3.168 352 Y HA -0.166 4.360 4.550 -0.041 0.000 0.207 352 Y C -1.334 174.569 175.900 0.005 0.000 1.280 352 Y CA 0.325 58.281 58.100 -0.239 0.000 1.235 352 Y CB -2.233 35.880 38.460 -0.579 0.000 1.370 352 Y HN 0.494 nan 8.280 nan 0.000 0.537 353 P HA 0.088 nan 4.420 nan 0.000 0.276 353 P C 0.864 178.114 177.300 -0.084 0.000 1.235 353 P CA 0.361 63.492 63.100 0.050 0.000 0.772 353 P CB 1.428 33.151 31.700 0.039 0.000 0.871 354 T N -2.047 112.329 114.554 -0.297 0.000 3.107 354 T HA -0.011 4.314 4.350 -0.042 0.000 0.249 354 T C 0.578 174.961 174.700 -0.528 0.000 1.096 354 T CA 0.215 61.755 62.100 -0.933 0.000 1.012 354 T CB -0.573 67.872 68.868 -0.705 0.000 0.977 354 T HN 0.360 nan 8.240 nan 0.000 0.527 355 D N 1.441 121.721 120.400 -0.200 0.000 2.424 355 D HA 0.121 4.736 4.640 -0.042 0.000 0.220 355 D C 0.629 176.932 176.300 0.006 0.000 1.150 355 D CA -0.397 53.565 54.000 -0.062 0.000 0.831 355 D CB -0.309 40.469 40.800 -0.037 0.000 0.981 355 D HN 0.466 nan 8.370 nan 0.000 0.500 356 S N -0.252 115.470 115.700 0.038 0.000 2.593 356 S HA 0.075 4.520 4.470 -0.042 0.000 0.269 356 S C 1.196 175.855 174.600 0.099 0.000 1.334 356 S CA -0.526 57.726 58.200 0.087 0.000 1.015 356 S CB 1.817 65.097 63.200 0.134 0.000 0.912 356 S HN -0.061 nan 8.310 nan 0.000 0.541 357 E N 1.174 121.409 120.200 0.059 0.000 2.085 357 E HA -0.114 4.211 4.350 -0.042 0.000 0.194 357 E C 1.849 178.476 176.600 0.044 0.000 0.994 357 E CA 1.303 57.723 56.400 0.033 0.000 0.801 357 E CB -0.486 29.208 29.700 -0.011 0.000 0.743 357 E HN 0.725 nan 8.360 nan 0.000 0.453 358 L N -0.481 120.778 121.223 0.060 0.000 2.179 358 L HA -0.112 4.203 4.340 -0.042 0.000 0.208 358 L C 2.462 179.387 176.870 0.092 0.000 1.096 358 L CA 0.525 55.401 54.840 0.060 0.000 0.779 358 L CB -0.398 41.705 42.059 0.073 0.000 0.922 358 L HN 0.079 nan 8.230 nan 0.000 0.443 359 Y N 1.385 121.699 120.300 0.023 0.000 2.128 359 Y HA -0.321 4.204 4.550 -0.042 0.000 0.284 359 Y C 2.551 178.428 175.900 -0.038 0.000 1.154 359 Y CA 1.756 59.853 58.100 -0.003 0.000 1.149 359 Y CB -0.036 38.427 38.460 0.004 0.000 0.976 359 Y HN -0.001 nan 8.280 nan 0.000 0.505 360 K N -0.454 120.076 120.400 0.217 0.000 2.097 360 K HA -0.164 4.131 4.320 -0.042 0.000 0.205 360 K C 2.033 178.631 176.600 -0.003 0.000 1.050 360 K CA 1.178 57.530 56.287 0.108 0.000 0.938 360 K CB -0.419 32.129 32.500 0.081 0.000 0.718 360 K HN 0.305 nan 8.250 nan 0.000 0.442 361 L N 1.834 123.050 121.223 -0.012 0.000 1.994 361 L HA -0.155 4.160 4.340 -0.042 0.000 0.208 361 L C 2.010 178.823 176.870 -0.095 0.000 1.071 361 L CA 1.693 56.503 54.840 -0.049 0.000 0.745 361 L CB -0.723 41.312 42.059 -0.040 0.000 0.892 361 L HN 0.180 nan 8.230 nan 0.000 0.431 362 I N 0.615 121.116 120.570 -0.115 0.000 2.208 362 I HA -0.312 3.833 4.170 -0.042 0.000 0.245 362 I C 2.842 178.781 176.117 -0.296 0.000 1.097 362 I CA 1.336 62.521 61.300 -0.191 0.000 1.363 362 I CB -0.569 37.331 38.000 -0.167 0.000 1.051 362 I HN 0.343 nan 8.210 nan 0.000 0.413 363 A N 0.006 122.642 122.820 -0.305 0.000 1.883 363 A HA -0.232 4.063 4.320 -0.042 0.000 0.217 363 A C 2.491 179.949 177.584 -0.210 0.000 1.186 363 A CA 2.389 54.251 52.037 -0.291 0.000 0.624 363 A CB -0.836 18.046 19.000 -0.197 0.000 0.822 363 A HN 0.395 nan 8.150 nan 0.000 0.444 364 S N -0.463 115.145 115.700 -0.153 0.000 2.368 364 S HA -0.020 4.425 4.470 -0.042 0.000 0.225 364 S C 2.272 176.780 174.600 -0.153 0.000 1.030 364 S CA 1.220 59.339 58.200 -0.134 0.000 0.999 364 S CB -0.405 62.736 63.200 -0.098 0.000 0.844 364 S HN 0.797 nan 8.310 nan 0.000 0.459 365 A N 2.355 125.082 122.820 -0.156 0.000 1.872 365 A HA -0.062 4.233 4.320 -0.042 0.000 0.214 365 A C 1.942 179.417 177.584 -0.181 0.000 1.187 365 A CA 1.184 53.133 52.037 -0.148 0.000 0.614 365 A CB -0.633 18.294 19.000 -0.121 0.000 0.826 365 A HN 0.407 nan 8.150 nan 0.000 0.442 366 N N 0.564 119.119 118.700 -0.241 0.000 2.166 366 N HA -0.127 4.588 4.740 -0.042 0.000 0.186 366 N C 1.883 177.257 175.510 -0.226 0.000 1.019 366 N CA 1.433 54.322 53.050 -0.269 0.000 0.856 366 N CB -0.471 37.761 38.487 -0.425 0.000 0.993 366 N HN 0.467 nan 8.380 nan 0.000 0.426 367 A N 0.906 123.597 122.820 -0.214 0.000 1.883 367 A HA -0.128 4.167 4.320 -0.042 0.000 0.217 367 A C 2.252 179.723 177.584 -0.188 0.000 1.186 367 A CA 1.079 53.006 52.037 -0.184 0.000 0.624 367 A CB -0.569 18.327 19.000 -0.173 0.000 0.822 367 A HN 0.242 nan 8.150 nan 0.000 0.444 368 I N -0.564 119.873 120.570 -0.221 0.000 2.353 368 I HA -0.098 4.047 4.170 -0.042 0.000 0.248 368 I C 2.345 178.267 176.117 -0.325 0.000 1.119 368 I CA 1.481 62.605 61.300 -0.292 0.000 1.417 368 I CB -0.384 37.434 38.000 -0.302 0.000 1.078 368 I HN 0.402 nan 8.210 nan 0.000 0.421 369 R N 0.420 120.755 120.500 -0.276 0.000 2.070 369 R HA -0.201 4.114 4.340 -0.042 0.000 0.233 369 R C 2.056 178.146 176.300 -0.351 0.000 1.137 369 R CA 1.985 57.883 56.100 -0.337 0.000 0.945 369 R CB -0.347 29.857 30.300 -0.160 0.000 0.845 369 R HN 0.361 nan 8.270 nan 0.000 0.430 370 N N -0.113 118.451 118.700 -0.227 0.000 2.084 370 N HA -0.220 4.495 4.740 -0.042 0.000 0.190 370 N C 1.534 176.932 175.510 -0.188 0.000 1.030 370 N CA 1.447 54.385 53.050 -0.186 0.000 0.849 370 N CB -0.651 37.750 38.487 -0.144 0.000 1.012 370 N HN 0.323 nan 8.380 nan 0.000 0.423 371 Y N 1.513 121.638 120.300 -0.292 0.000 2.145 371 Y HA -0.134 4.402 4.550 -0.024 0.000 0.286 371 Y C 2.321 178.038 175.900 -0.305 0.000 1.145 371 Y CA 1.783 59.719 58.100 -0.274 0.000 1.148 371 Y CB -0.482 37.800 38.460 -0.297 0.000 0.981 371 Y HN 0.085 nan 8.280 nan 0.000 0.507 372 A N 0.369 122.974 122.820 -0.359 0.000 1.908 372 A HA -0.205 4.090 4.320 -0.042 0.000 0.218 372 A C 2.273 179.602 177.584 -0.424 0.000 1.181 372 A CA 2.070 53.850 52.037 -0.427 0.000 0.627 372 A CB -1.204 17.400 19.000 -0.660 0.000 0.818 372 A HN 0.587 nan 8.150 nan 0.000 0.445 373 I N 0.723 121.005 120.570 -0.480 0.000 2.208 373 I HA -0.280 3.865 4.170 -0.042 0.000 0.245 373 I C 2.847 178.850 176.117 -0.192 0.000 1.097 373 I CA 1.682 62.831 61.300 -0.253 0.000 1.363 373 I CB -0.233 37.664 38.000 -0.172 0.000 1.051 373 I HN 0.527 nan 8.210 nan 0.000 0.413 374 S N 0.299 115.838 115.700 -0.269 0.000 2.447 374 S HA -0.105 4.340 4.470 -0.042 0.000 0.233 374 S C 1.804 176.249 174.600 -0.258 0.000 1.006 374 S CA 0.781 58.827 58.200 -0.257 0.000 0.957 374 S CB -0.089 62.928 63.200 -0.305 0.000 0.773 374 S HN 0.318 nan 8.310 nan 0.000 0.507 375 K N 0.620 120.842 120.400 -0.296 0.000 2.354 375 K HA 0.273 4.568 4.320 -0.042 0.000 0.194 375 K C -0.383 176.173 176.600 -0.074 0.000 1.038 375 K CA 0.271 56.439 56.287 -0.199 0.000 1.052 375 K CB 0.205 32.564 32.500 -0.235 0.000 0.861 375 K HN 0.431 nan 8.250 nan 0.000 0.535 376 D N 0.799 121.174 120.400 -0.043 0.000 2.358 376 D HA 0.041 4.656 4.640 -0.042 0.000 0.253 376 D C 0.695 177.040 176.300 0.075 0.000 1.288 376 D CA -0.149 53.877 54.000 0.043 0.000 0.950 376 D CB 1.169 42.034 40.800 0.108 0.000 1.197 376 D HN 0.013 nan 8.370 nan 0.000 0.550 377 T N -0.205 114.381 114.554 0.053 0.000 3.051 377 T HA 0.024 4.349 4.350 -0.042 0.000 0.269 377 T C 1.686 176.443 174.700 0.095 0.000 1.127 377 T CA 0.782 62.916 62.100 0.057 0.000 1.107 377 T CB 0.057 68.944 68.868 0.032 0.000 0.898 377 T HN 0.321 nan 8.240 nan 0.000 0.517 378 G N -0.317 108.557 108.800 0.125 0.000 2.939 378 G HA2 0.152 4.087 3.960 -0.042 0.000 0.210 378 G HA3 0.152 4.087 3.960 -0.042 0.000 0.210 378 G C 0.923 175.944 174.900 0.202 0.000 1.160 378 G CA -0.241 44.949 45.100 0.150 0.000 0.770 378 G HN 0.471 nan 8.290 nan 0.000 0.543 379 F N 2.230 122.216 119.950 0.061 0.000 2.102 379 F HA -0.167 4.340 4.527 -0.034 0.000 0.298 379 F C 2.623 178.476 175.800 0.088 0.000 1.105 379 F CA 2.035 60.070 58.000 0.057 0.000 1.239 379 F CB -0.100 38.909 39.000 0.015 0.000 0.991 379 F HN 0.051 nan 8.300 nan 0.000 0.474 380 V N -1.911 118.127 119.914 0.205 0.000 2.759 380 V HA -0.133 3.962 4.120 -0.042 0.000 0.256 380 V C 1.824 177.919 176.094 0.002 0.000 1.080 380 V CA 1.967 64.320 62.300 0.089 0.000 1.101 380 V CB -1.785 30.121 31.823 0.139 0.000 0.698 380 V HN 0.542 nan 8.190 nan 0.000 0.477 381 T N -4.309 110.262 114.554 0.027 0.000 3.040 381 T HA 0.192 4.517 4.350 -0.042 0.000 0.250 381 T C 0.581 175.273 174.700 -0.012 0.000 1.058 381 T CA -0.137 61.967 62.100 0.006 0.000 0.988 381 T CB -0.531 68.347 68.868 0.017 0.000 0.993 381 T HN 0.485 nan 8.240 nan 0.000 0.519 382 Y N 3.781 124.003 120.300 -0.129 0.000 2.569 382 Y HA 0.302 4.828 4.550 -0.041 0.000 0.332 382 Y C 0.098 175.905 175.900 -0.155 0.000 1.120 382 Y CA -1.030 56.989 58.100 -0.134 0.000 1.416 382 Y CB 0.450 38.822 38.460 -0.146 0.000 1.210 382 Y HN -0.131 nan 8.280 nan 0.000 0.528 383 K N 5.346 125.558 120.400 -0.313 0.000 2.383 383 K HA 0.006 4.301 4.320 -0.042 0.000 0.286 383 K C -0.212 176.409 176.600 0.035 0.000 1.051 383 K CA -0.244 55.956 56.287 -0.143 0.000 0.974 383 K CB 0.096 32.480 32.500 -0.193 0.000 0.968 383 K HN 0.698 nan 8.250 nan 0.000 0.475 384 N N 2.189 120.927 118.700 0.063 0.000 2.412 384 N HA -0.084 4.631 4.740 -0.042 0.000 0.254 384 N C -1.187 174.439 175.510 0.193 0.000 1.232 384 N CA 0.109 53.228 53.050 0.115 0.000 0.880 384 N CB 0.280 38.767 38.487 -0.000 0.000 1.076 384 N HN 0.480 nan 8.380 nan 0.000 0.458 385 W N 7.201 128.505 121.300 0.007 0.000 2.587 385 W HA 0.512 5.146 4.660 -0.044 0.000 0.324 385 W C -2.843 173.650 176.519 -0.043 0.000 1.008 385 W CA -2.802 54.530 57.345 -0.022 0.000 1.265 385 W CB 0.886 30.368 29.460 0.037 0.000 1.328 385 W HN 0.481 nan 8.180 nan 0.000 0.432 386 P HA 0.137 nan 4.420 nan 0.000 0.271 386 P C 0.776 177.894 177.300 -0.304 0.000 1.226 386 P CA 0.319 63.277 63.100 -0.236 0.000 0.765 386 P CB 0.737 32.017 31.700 -0.700 0.000 0.835 387 I N 0.114 120.530 120.570 -0.257 0.000 4.181 387 I HA 0.417 4.562 4.170 -0.042 0.000 0.331 387 I C -0.340 175.841 176.117 0.106 0.000 1.312 387 I CA 0.015 61.129 61.300 -0.309 0.000 1.146 387 I CB 0.249 37.923 38.000 -0.544 0.000 1.074 387 I HN 0.114 nan 8.210 nan 0.000 0.402 388 Y N 2.796 123.151 120.300 0.091 0.000 2.558 388 Y HA 0.562 5.087 4.550 -0.042 0.000 0.333 388 Y C -1.802 174.198 175.900 0.167 0.000 1.125 388 Y CA -1.254 56.913 58.100 0.112 0.000 1.039 388 Y CB 1.408 39.892 38.460 0.040 0.000 1.331 388 Y HN 0.186 nan 8.280 nan 0.000 0.456 389 K N 2.997 122.960 120.400 -0.728 0.000 2.546 389 K HA 0.706 5.001 4.320 -0.042 0.000 0.264 389 K C -2.128 173.987 176.600 -0.807 0.000 0.937 389 K CA -0.779 55.168 56.287 -0.568 0.000 0.833 389 K CB 2.902 35.216 32.500 -0.310 0.000 1.378 389 K HN 0.591 nan 8.250 nan 0.000 0.432 390 D N -0.098 120.053 120.400 -0.414 0.000 2.837 390 D HA 0.235 4.850 4.640 -0.042 0.000 0.294 390 D C -0.038 176.190 176.300 -0.120 0.000 1.158 390 D CA -0.534 53.325 54.000 -0.235 0.000 1.073 390 D CB 0.305 41.057 40.800 -0.080 0.000 1.419 390 D HN 0.418 nan 8.370 nan 0.000 0.584 391 D N -1.119 119.233 120.400 -0.080 0.000 2.190 391 D HA -0.089 4.526 4.640 -0.042 0.000 0.200 391 D C 1.262 177.530 176.300 -0.054 0.000 0.992 391 D CA 2.411 56.369 54.000 -0.070 0.000 0.854 391 D CB -0.169 40.598 40.800 -0.055 0.000 0.936 391 D HN 0.615 nan 8.370 nan 0.000 0.462 392 T N -3.957 110.590 114.554 -0.011 0.000 3.170 392 T HA 0.255 4.580 4.350 -0.042 0.000 0.288 392 T C 0.169 174.915 174.700 0.076 0.000 0.992 392 T CA -0.445 61.666 62.100 0.017 0.000 0.909 392 T CB 0.573 69.469 68.868 0.047 0.000 1.133 392 T HN -0.195 nan 8.240 nan 0.000 0.530 393 T N 1.868 116.475 114.554 0.088 0.000 2.933 393 T HA 0.689 5.014 4.350 -0.042 0.000 0.305 393 T C -1.504 173.299 174.700 0.171 0.000 1.092 393 T CA -0.612 61.603 62.100 0.191 0.000 1.008 393 T CB 2.296 71.366 68.868 0.337 0.000 1.102 393 T HN 0.392 nan 8.240 nan 0.000 0.469 394 I N 1.860 122.572 120.570 0.237 0.000 2.582 394 I HA 0.794 4.939 4.170 -0.042 0.000 0.292 394 I C -1.253 175.044 176.117 0.300 0.000 1.066 394 I CA -0.777 60.680 61.300 0.261 0.000 1.053 394 I CB 1.295 39.444 38.000 0.247 0.000 1.241 394 I HN 0.850 nan 8.210 nan 0.000 0.421 395 A N 8.357 131.357 122.820 0.299 0.000 2.401 395 A HA 0.954 5.249 4.320 -0.042 0.000 0.310 395 A C -0.823 176.831 177.584 0.116 0.000 1.075 395 A CA -0.670 51.489 52.037 0.204 0.000 0.746 395 A CB 1.807 20.915 19.000 0.179 0.000 1.277 395 A HN 0.791 nan 8.150 nan 0.000 0.425 396 M N 0.945 120.575 119.600 0.051 0.000 2.622 396 M HA 0.783 5.238 4.480 -0.042 0.000 0.276 396 M C -1.131 175.139 176.300 -0.048 0.000 1.265 396 M CA -0.834 54.455 55.300 -0.019 0.000 0.850 396 M CB 2.242 34.867 32.600 0.041 0.000 1.720 396 M HN 0.640 nan 8.290 nan 0.000 0.465 397 R N 2.375 122.839 120.500 -0.060 0.000 2.574 397 R HA 0.612 4.927 4.340 -0.042 0.000 0.288 397 R C -2.323 174.024 176.300 0.079 0.000 1.004 397 R CA -0.304 55.773 56.100 -0.038 0.000 0.895 397 R CB 2.410 32.604 30.300 -0.177 0.000 1.191 397 R HN 1.018 nan 8.270 nan 0.000 0.444 398 K N 2.409 122.809 120.400 -0.000 0.000 2.513 398 K HA 0.598 4.893 4.320 -0.042 0.000 0.251 398 K C -1.344 175.093 176.600 -0.272 0.000 0.939 398 K CA -0.066 56.148 56.287 -0.122 0.000 0.793 398 K CB 1.765 34.166 32.500 -0.166 0.000 1.241 398 K HN 0.901 nan 8.250 nan 0.000 0.431 399 G N 1.452 109.724 108.800 -0.880 0.000 2.402 399 G HA2 -0.082 3.853 3.960 -0.042 0.000 0.666 399 G HA3 -0.082 3.853 3.960 -0.042 0.000 0.666 399 G C -0.865 173.573 174.900 -0.770 0.000 1.402 399 G CA -1.011 43.805 45.100 -0.472 0.000 0.920 399 G HN 0.479 nan 8.290 nan 0.000 0.651 400 T N 2.058 116.455 114.554 -0.262 0.000 2.932 400 T HA 0.306 4.631 4.350 -0.042 0.000 0.312 400 T C 0.524 175.197 174.700 -0.046 0.000 1.071 400 T CA 0.233 62.294 62.100 -0.066 0.000 1.128 400 T CB 0.405 69.309 68.868 0.061 0.000 0.984 400 T HN 0.533 nan 8.240 nan 0.000 0.549 401 D N 1.392 121.806 120.400 0.024 0.000 2.583 401 D HA 0.254 4.869 4.640 -0.042 0.000 0.232 401 D C 1.429 177.743 176.300 0.024 0.000 1.128 401 D CA 1.743 55.760 54.000 0.027 0.000 0.859 401 D CB 0.346 41.180 40.800 0.057 0.000 1.169 401 D HN 0.874 nan 8.370 nan 0.000 0.481 402 G N 1.484 110.303 108.800 0.032 0.000 2.241 402 G HA2 -0.284 3.651 3.960 -0.042 0.000 0.244 402 G HA3 -0.284 3.651 3.960 -0.042 0.000 0.244 402 G C 0.843 175.735 174.900 -0.013 0.000 0.998 402 G CA 0.393 45.512 45.100 0.032 0.000 0.621 402 G HN 0.477 nan 8.290 nan 0.000 0.519 403 S N 0.958 116.650 115.700 -0.013 0.000 2.900 403 S HA 0.227 4.672 4.470 -0.042 0.000 0.253 403 S C 0.527 175.155 174.600 0.048 0.000 1.029 403 S CA 0.209 58.377 58.200 -0.055 0.000 1.096 403 S CB 0.616 63.835 63.200 0.031 0.000 1.067 403 S HN 0.868 nan 8.310 nan 0.000 0.610 404 Q N 1.557 121.390 119.800 0.055 0.000 2.327 404 Q HA 0.379 4.694 4.340 -0.042 0.000 0.254 404 Q C -0.499 175.648 176.000 0.246 0.000 0.952 404 Q CA 0.087 55.928 55.803 0.064 0.000 0.884 404 Q CB 0.786 29.443 28.738 -0.136 0.000 1.224 404 Q HN 0.360 nan 8.270 nan 0.000 0.422 405 I N 2.246 122.998 120.570 0.303 0.000 2.342 405 I HA 0.206 4.351 4.170 -0.042 0.000 0.291 405 I C -0.513 175.716 176.117 0.186 0.000 1.010 405 I CA -0.892 60.603 61.300 0.325 0.000 1.308 405 I CB 1.548 39.727 38.000 0.298 0.000 1.400 405 I HN 0.372 nan 8.210 nan 0.000 0.488 406 V N 5.613 125.645 119.914 0.197 0.000 2.409 406 V HA 0.366 4.461 4.120 -0.042 0.000 0.291 406 V C -0.056 176.096 176.094 0.097 0.000 1.020 406 V CA -0.359 62.003 62.300 0.102 0.000 0.848 406 V CB 1.899 33.781 31.823 0.099 0.000 0.990 406 V HN 0.728 nan 8.190 nan 0.000 0.430 407 T N 6.412 121.005 114.554 0.065 0.000 2.807 407 T HA 0.715 5.040 4.350 -0.042 0.000 0.279 407 T C -0.554 174.198 174.700 0.086 0.000 0.993 407 T CA -0.198 61.943 62.100 0.067 0.000 0.970 407 T CB 1.236 70.137 68.868 0.054 0.000 0.950 407 T HN 0.325 nan 8.240 nan 0.000 0.441 408 I N 3.803 124.424 120.570 0.086 0.000 2.389 408 I HA 0.453 4.598 4.170 -0.042 0.000 0.288 408 I C -0.538 175.661 176.117 0.137 0.000 0.999 408 I CA -0.383 60.984 61.300 0.112 0.000 1.129 408 I CB 1.261 39.301 38.000 0.066 0.000 1.288 408 I HN 0.388 nan 8.210 nan 0.000 0.444 409 L N 4.472 125.824 121.223 0.216 0.000 2.342 409 L HA 0.759 5.074 4.340 -0.042 0.000 0.271 409 L C -0.046 177.023 176.870 0.332 0.000 1.008 409 L CA -0.622 54.379 54.840 0.269 0.000 0.818 409 L CB 2.077 44.360 42.059 0.373 0.000 1.296 409 L HN 0.566 nan 8.230 nan 0.000 0.427 410 S N 0.403 116.315 115.700 0.353 0.000 2.536 410 S HA 0.391 4.836 4.470 -0.042 0.000 0.287 410 S C -0.222 174.598 174.600 0.368 0.000 1.101 410 S CA -0.732 57.648 58.200 0.300 0.000 0.950 410 S CB 1.301 64.634 63.200 0.221 0.000 1.056 410 S HN 0.753 nan 8.310 nan 0.000 0.481 411 N N 3.114 121.942 118.700 0.212 0.000 2.238 411 N HA 0.173 4.888 4.740 -0.042 0.000 0.222 411 N C 0.551 176.145 175.510 0.141 0.000 1.133 411 N CA -0.322 52.836 53.050 0.180 0.000 0.854 411 N CB -0.014 38.454 38.487 -0.032 0.000 1.041 411 N HN 0.548 nan 8.380 nan 0.000 0.510 412 K N 0.090 120.579 120.400 0.149 0.000 2.209 412 K HA 0.063 4.358 4.320 -0.042 0.000 0.204 412 K C 0.854 177.528 176.600 0.122 0.000 1.048 412 K CA 0.809 57.171 56.287 0.125 0.000 0.940 412 K CB -0.373 32.216 32.500 0.148 0.000 0.729 412 K HN 0.436 nan 8.250 nan 0.000 0.451 413 G N -0.154 108.733 108.800 0.145 0.000 2.760 413 G HA2 -0.267 3.668 3.960 -0.042 0.000 0.246 413 G HA3 -0.267 3.668 3.960 -0.042 0.000 0.246 413 G C 0.548 175.514 174.900 0.109 0.000 1.359 413 G CA -0.284 44.898 45.100 0.137 0.000 0.861 413 G HN 0.213 nan 8.290 nan 0.000 0.541 414 A N -0.838 122.040 122.820 0.098 0.000 2.070 414 A HA 0.288 4.583 4.320 -0.042 0.000 0.220 414 A C 2.409 180.034 177.584 0.068 0.000 1.159 414 A CA 2.615 54.699 52.037 0.077 0.000 0.656 414 A CB -0.298 18.745 19.000 0.071 0.000 0.800 414 A HN 1.491 nan 8.150 nan 0.000 0.453 415 S N -0.108 115.634 115.700 0.071 0.000 2.605 415 S HA 0.279 4.724 4.470 -0.042 0.000 0.217 415 S C 1.099 175.742 174.600 0.071 0.000 0.958 415 S CA 0.107 58.345 58.200 0.063 0.000 0.919 415 S CB -0.192 63.041 63.200 0.055 0.000 0.780 415 S HN 0.739 nan 8.310 nan 0.000 0.507 416 G N 3.018 111.870 108.800 0.087 0.000 2.484 416 G HA2 0.186 4.121 3.960 -0.042 0.000 0.235 416 G HA3 0.186 4.121 3.960 -0.042 0.000 0.235 416 G C -0.099 174.871 174.900 0.117 0.000 1.282 416 G CA -0.443 44.724 45.100 0.112 0.000 0.857 416 G HN 0.389 nan 8.290 nan 0.000 0.571 417 D N 0.078 120.567 120.400 0.148 0.000 2.377 417 D HA 0.251 4.866 4.640 -0.042 0.000 0.245 417 D C -0.127 176.299 176.300 0.211 0.000 1.196 417 D CA -0.437 53.656 54.000 0.155 0.000 0.962 417 D CB 0.803 41.683 40.800 0.133 0.000 1.127 417 D HN 0.111 nan 8.370 nan 0.000 0.471 418 S N 0.171 115.966 115.700 0.157 0.000 2.422 418 S HA 0.491 4.936 4.470 -0.042 0.000 0.298 418 S C -0.802 173.907 174.600 0.181 0.000 1.118 418 S CA -0.686 57.577 58.200 0.106 0.000 1.083 418 S CB -0.228 63.002 63.200 0.049 0.000 0.971 418 S HN 0.513 nan 8.310 nan 0.000 0.478 419 Y N -0.396 119.912 120.300 0.015 0.000 2.705 419 Y HA 0.726 5.252 4.550 -0.041 0.000 0.332 419 Y C -0.850 175.054 175.900 0.007 0.000 1.221 419 Y CA -1.251 56.856 58.100 0.012 0.000 1.059 419 Y CB 0.567 39.036 38.460 0.017 0.000 1.298 419 Y HN 0.263 nan 8.280 nan 0.000 0.459 420 T N 3.391 118.003 114.554 0.096 0.000 2.758 420 T HA 0.459 4.784 4.350 -0.042 0.000 0.285 420 T C -1.142 173.605 174.700 0.077 0.000 0.981 420 T CA -0.417 61.667 62.100 -0.027 0.000 0.965 420 T CB 1.002 69.879 68.868 0.015 0.000 0.927 420 T HN 0.725 nan 8.240 nan 0.000 0.448 421 L N 3.555 124.742 121.223 -0.060 0.000 2.265 421 L HA 0.530 4.845 4.340 -0.042 0.000 0.288 421 L C 0.443 177.285 176.870 -0.047 0.000 1.058 421 L CA 0.041 54.901 54.840 0.033 0.000 0.809 421 L CB 1.333 43.376 42.059 -0.027 0.000 1.179 421 L HN 0.575 nan 8.230 nan 0.000 0.429 422 S N 5.817 121.495 115.700 -0.037 0.000 2.681 422 S HA 0.320 4.764 4.470 -0.042 0.000 0.313 422 S C -0.431 174.072 174.600 -0.161 0.000 1.137 422 S CA -0.660 57.501 58.200 -0.064 0.000 1.045 422 S CB -0.558 62.632 63.200 -0.016 0.000 1.208 422 S HN 0.578 nan 8.310 nan 0.000 0.523 423 L N 6.362 127.476 121.223 -0.180 0.000 2.265 423 L HA 0.560 4.875 4.340 -0.042 0.000 0.288 423 L C 0.123 176.906 176.870 -0.146 0.000 1.058 423 L CA 0.204 54.880 54.840 -0.274 0.000 0.809 423 L CB 1.150 43.081 42.059 -0.214 0.000 1.179 423 L HN 0.618 nan 8.230 nan 0.000 0.429 424 S N 2.894 118.517 115.700 -0.127 0.000 2.593 424 S HA 0.835 5.280 4.470 -0.042 0.000 0.297 424 S C 0.692 175.272 174.600 -0.033 0.000 1.112 424 S CA 0.012 58.193 58.200 -0.031 0.000 1.043 424 S CB 1.643 64.861 63.200 0.030 0.000 1.054 424 S HN 1.644 nan 8.310 nan 0.000 0.516 425 G N 0.730 109.503 108.800 -0.044 0.000 2.176 425 G HA2 -0.144 3.791 3.960 -0.042 0.000 0.232 425 G HA3 -0.144 3.791 3.960 -0.042 0.000 0.232 425 G C 0.894 175.639 174.900 -0.258 0.000 0.986 425 G CA 0.154 45.183 45.100 -0.117 0.000 0.643 425 G HN 1.529 nan 8.290 nan 0.000 0.522 426 A N 0.122 122.822 122.820 -0.200 0.000 2.014 426 A HA 0.484 4.779 4.320 -0.042 0.000 0.218 426 A C 2.845 180.172 177.584 -0.430 0.000 1.163 426 A CA 2.325 54.175 52.037 -0.311 0.000 0.652 426 A CB -0.622 18.280 19.000 -0.164 0.000 0.808 426 A HN 2.484 nan 8.150 nan 0.000 0.449 427 G N -2.813 105.854 108.800 -0.221 0.000 2.148 427 G HA2 -0.286 3.649 3.960 -0.042 0.000 0.254 427 G HA3 -0.286 3.649 3.960 -0.042 0.000 0.254 427 G C 0.040 174.855 174.900 -0.141 0.000 0.981 427 G CA 0.441 45.463 45.100 -0.129 0.000 0.670 427 G HN 0.430 nan 8.290 nan 0.000 0.528 428 Y N 1.124 121.424 120.300 -0.000 0.000 2.260 428 Y HA 0.522 5.046 4.550 -0.044 0.000 0.339 428 Y C 1.593 177.489 175.900 -0.005 0.000 1.317 428 Y CA 0.122 58.214 58.100 -0.014 0.000 1.514 428 Y CB 0.333 38.773 38.460 -0.033 0.000 1.382 428 Y HN 0.299 nan 8.280 nan 0.000 0.581 429 T N -0.982 113.680 114.554 0.179 0.000 2.909 429 T HA 0.708 5.033 4.350 -0.042 0.000 0.286 429 T C -0.035 174.702 174.700 0.062 0.000 1.002 429 T CA -0.916 61.238 62.100 0.089 0.000 1.074 429 T CB 0.971 69.874 68.868 0.058 0.000 0.984 429 T HN 0.848 nan 8.240 nan 0.000 0.495 430 A N 1.283 124.128 122.820 0.043 0.000 2.565 430 A HA 0.490 4.785 4.320 -0.042 0.000 0.237 430 A C 1.724 179.313 177.584 0.009 0.000 1.053 430 A CA 0.311 52.363 52.037 0.026 0.000 0.755 430 A CB -1.383 17.629 19.000 0.021 0.000 0.980 430 A HN 2.382 nan 8.150 nan 0.000 0.506 431 G N 0.681 109.479 108.800 -0.003 0.000 2.205 431 G HA2 -0.300 3.635 3.960 -0.042 0.000 0.261 431 G HA3 -0.300 3.635 3.960 -0.042 0.000 0.261 431 G C 0.437 175.315 174.900 -0.037 0.000 0.980 431 G CA 0.706 45.795 45.100 -0.018 0.000 0.632 431 G HN 1.231 nan 8.290 nan 0.000 0.533 432 Q N 0.643 120.416 119.800 -0.045 0.000 2.311 432 Q HA 0.418 4.733 4.340 -0.042 0.000 0.272 432 Q C 0.499 176.419 176.000 -0.134 0.000 1.012 432 Q CA -0.027 55.724 55.803 -0.088 0.000 0.891 432 Q CB 0.329 29.008 28.738 -0.098 0.000 1.201 432 Q HN 0.551 nan 8.270 nan 0.000 0.391 433 Q N 3.736 123.457 119.800 -0.131 0.000 2.286 433 Q HA 0.414 4.729 4.340 -0.042 0.000 0.257 433 Q C -1.376 174.503 176.000 -0.202 0.000 0.941 433 Q CA -0.296 55.424 55.803 -0.139 0.000 0.912 433 Q CB 0.648 29.328 28.738 -0.097 0.000 1.192 433 Q HN 0.623 nan 8.270 nan 0.000 0.410 434 L N 2.284 123.382 121.223 -0.208 0.000 2.341 434 L HA 0.574 4.889 4.340 -0.042 0.000 0.267 434 L C -0.383 176.410 176.870 -0.128 0.000 1.009 434 L CA -1.024 53.674 54.840 -0.237 0.000 0.819 434 L CB 2.343 44.200 42.059 -0.336 0.000 1.323 434 L HN 0.569 nan 8.230 nan 0.000 0.425 435 T N 0.613 115.118 114.554 -0.082 0.000 2.794 435 T HA 0.176 4.501 4.350 -0.042 0.000 0.280 435 T C -0.282 174.403 174.700 -0.025 0.000 0.987 435 T CA -0.400 61.674 62.100 -0.044 0.000 0.993 435 T CB 1.435 70.289 68.868 -0.023 0.000 0.939 435 T HN 0.374 nan 8.240 nan 0.000 0.449 436 E N 3.359 123.538 120.200 -0.035 0.000 2.052 436 E HA 0.125 4.450 4.350 -0.042 0.000 0.283 436 E C 1.068 177.647 176.600 -0.036 0.000 1.071 436 E CA -0.272 56.112 56.400 -0.028 0.000 0.851 436 E CB 0.794 30.473 29.700 -0.035 0.000 1.066 436 E HN 0.563 nan 8.360 nan 0.000 0.396 437 V N 3.077 122.969 119.914 -0.037 0.000 3.541 437 V HA -0.028 4.067 4.120 -0.042 0.000 0.267 437 V C 1.532 177.583 176.094 -0.070 0.000 1.213 437 V CA 0.243 62.504 62.300 -0.066 0.000 1.149 437 V CB -0.378 31.386 31.823 -0.097 0.000 0.822 437 V HN 0.481 nan 8.190 nan 0.000 0.462 438 I N 2.252 122.790 120.570 -0.054 0.000 2.400 438 I HA 0.157 4.302 4.170 -0.042 0.000 0.248 438 I C 2.405 178.495 176.117 -0.045 0.000 1.109 438 I CA 1.828 63.097 61.300 -0.052 0.000 1.425 438 I CB -1.486 36.488 38.000 -0.043 0.000 1.094 438 I HN 0.479 nan 8.210 nan 0.000 0.425 439 G N -0.897 107.878 108.800 -0.040 0.000 3.126 439 G HA2 0.066 4.001 3.960 -0.042 0.000 0.224 439 G HA3 0.066 4.001 3.960 -0.042 0.000 0.224 439 G C 0.649 175.526 174.900 -0.039 0.000 1.142 439 G CA 0.314 45.393 45.100 -0.036 0.000 0.759 439 G HN 0.446 nan 8.290 nan 0.000 0.550 440 C N 1.646 120.919 119.300 -0.045 0.000 3.630 440 C HA -0.074 4.361 4.460 -0.042 0.000 0.297 440 C C 1.006 175.970 174.990 -0.043 0.000 1.219 440 C CA 0.201 59.191 59.018 -0.048 0.000 2.284 440 C CB -3.123 24.587 27.740 -0.049 0.000 1.430 440 C HN 0.833 nan 8.230 nan 0.000 0.573 441 T N -1.801 112.728 114.554 -0.043 0.000 2.858 441 T HA 0.912 5.237 4.350 -0.042 0.000 0.285 441 T C -0.262 174.410 174.700 -0.046 0.000 1.052 441 T CA 0.131 62.206 62.100 -0.042 0.000 1.009 441 T CB 2.224 71.068 68.868 -0.040 0.000 1.241 441 T HN 1.054 nan 8.240 nan 0.000 0.542 442 T N -1.374 113.152 114.554 -0.048 0.000 2.908 442 T HA 0.758 5.083 4.350 -0.042 0.000 0.290 442 T C -0.239 174.426 174.700 -0.059 0.000 1.034 442 T CA -0.605 61.461 62.100 -0.056 0.000 1.010 442 T CB 1.279 70.113 68.868 -0.057 0.000 1.068 442 T HN 1.556 nan 8.240 nan 0.000 0.481 443 V N -0.810 119.061 119.914 -0.072 0.000 2.962 443 V HA 0.913 5.008 4.120 -0.042 0.000 0.313 443 V C -0.757 175.284 176.094 -0.088 0.000 1.099 443 V CA -0.677 61.580 62.300 -0.072 0.000 0.971 443 V CB 1.934 33.716 31.823 -0.069 0.000 1.028 443 V HN 1.098 nan 8.190 nan 0.000 0.430 444 T N 2.931 117.442 114.554 -0.071 0.000 2.807 444 T HA 0.591 4.916 4.350 -0.042 0.000 0.279 444 T C -0.256 174.409 174.700 -0.058 0.000 0.993 444 T CA -0.406 61.650 62.100 -0.073 0.000 0.970 444 T CB 1.530 70.366 68.868 -0.054 0.000 0.950 444 T HN 0.791 nan 8.240 nan 0.000 0.441 445 V N 3.001 122.878 119.914 -0.063 0.000 2.655 445 V HA 0.399 4.494 4.120 -0.042 0.000 0.300 445 V C 1.321 177.410 176.094 -0.008 0.000 1.044 445 V CA -0.225 62.064 62.300 -0.019 0.000 1.095 445 V CB 0.724 32.551 31.823 0.007 0.000 0.952 445 V HN 1.045 nan 8.190 nan 0.000 0.485 446 G N 2.779 111.581 108.800 0.003 0.000 2.599 446 G HA2 0.294 4.229 3.960 -0.042 0.000 0.264 446 G HA3 0.294 4.229 3.960 -0.042 0.000 0.264 446 G C 1.036 175.942 174.900 0.011 0.000 1.200 446 G CA 0.176 45.278 45.100 0.003 0.000 0.896 446 G HN 0.931 nan 8.290 nan 0.000 0.536 447 S N -0.648 115.057 115.700 0.008 0.000 2.507 447 S HA -0.110 4.335 4.470 -0.042 0.000 0.235 447 S C 1.170 175.780 174.600 0.017 0.000 0.988 447 S CA 1.251 59.458 58.200 0.012 0.000 0.944 447 S CB -0.009 63.196 63.200 0.008 0.000 0.762 447 S HN 0.689 nan 8.310 nan 0.000 0.526 448 D N -0.179 120.231 120.400 0.018 0.000 2.368 448 D HA 0.316 4.931 4.640 -0.042 0.000 0.218 448 D C 1.349 177.665 176.300 0.027 0.000 1.112 448 D CA 0.348 54.361 54.000 0.021 0.000 0.834 448 D CB -0.405 40.406 40.800 0.019 0.000 0.953 448 D HN 0.420 nan 8.370 nan 0.000 0.505 449 G N 0.325 109.144 108.800 0.031 0.000 2.267 449 G HA2 -0.350 3.585 3.960 -0.042 0.000 0.257 449 G HA3 -0.350 3.585 3.960 -0.042 0.000 0.257 449 G C 0.310 175.234 174.900 0.040 0.000 0.998 449 G CA 0.076 45.202 45.100 0.043 0.000 0.620 449 G HN 0.552 nan 8.290 nan 0.000 0.529 450 N N -0.017 118.697 118.700 0.023 0.000 2.454 450 N HA 0.407 5.122 4.740 -0.042 0.000 0.254 450 N C 0.082 175.599 175.510 0.011 0.000 1.228 450 N CA 0.470 53.525 53.050 0.009 0.000 0.900 450 N CB 0.921 39.409 38.487 0.001 0.000 1.089 450 N HN 0.252 nan 8.380 nan 0.000 0.449 451 V N 4.873 124.788 119.914 0.001 0.000 2.357 451 V HA 0.370 4.465 4.120 -0.042 0.000 0.284 451 V C -2.125 173.949 176.094 -0.032 0.000 1.018 451 V CA -1.573 60.727 62.300 0.001 0.000 0.841 451 V CB 1.378 33.225 31.823 0.039 0.000 0.991 451 V HN 0.695 nan 8.190 nan 0.000 0.437 452 P HA 0.216 nan 4.420 nan 0.000 0.279 452 P C -0.621 176.645 177.300 -0.056 0.000 1.318 452 P CA -0.056 63.019 63.100 -0.042 0.000 0.819 452 P CB 1.148 32.830 31.700 -0.031 0.000 0.927 453 V N 7.087 126.955 119.914 -0.076 0.000 2.333 453 V HA 0.254 4.349 4.120 -0.042 0.000 0.274 453 V C -2.109 173.904 176.094 -0.135 0.000 1.028 453 V CA -2.191 60.054 62.300 -0.091 0.000 0.851 453 V CB 1.250 33.019 31.823 -0.090 0.000 1.000 453 V HN 0.384 nan 8.190 nan 0.000 0.456 454 P HA 0.233 nan 4.420 nan 0.000 0.270 454 P C -0.376 176.803 177.300 -0.202 0.000 1.242 454 P CA 0.120 63.130 63.100 -0.149 0.000 0.768 454 P CB 0.332 31.976 31.700 -0.093 0.000 0.820 455 M N 2.995 122.379 119.600 -0.359 0.000 2.363 455 M HA 0.753 5.208 4.480 -0.042 0.000 0.343 455 M C 0.009 176.158 176.300 -0.251 0.000 1.165 455 M CA -0.555 54.503 55.300 -0.403 0.000 1.046 455 M CB 1.652 33.716 32.600 -0.894 0.000 1.648 455 M HN 0.328 nan 8.290 nan 0.000 0.452 456 A N 0.858 123.612 122.820 -0.110 0.000 2.594 456 A HA 0.620 4.915 4.320 -0.042 0.000 0.296 456 A C 0.343 177.935 177.584 0.013 0.000 1.056 456 A CA -0.077 51.944 52.037 -0.026 0.000 0.693 456 A CB 0.761 19.745 19.000 -0.026 0.000 1.278 456 A HN 1.243 nan 8.150 nan 0.000 0.408 457 G N 0.245 109.071 108.800 0.043 0.000 2.233 457 G HA2 0.156 4.091 3.960 -0.042 0.000 0.270 457 G HA3 0.156 4.091 3.960 -0.042 0.000 0.270 457 G C 1.870 176.808 174.900 0.062 0.000 1.011 457 G CA 1.566 46.695 45.100 0.048 0.000 0.762 457 G HN 2.955 nan 8.290 nan 0.000 0.511 458 G N -2.318 106.532 108.800 0.083 0.000 2.187 458 G HA2 -0.138 3.797 3.960 -0.042 0.000 0.261 458 G HA3 -0.138 3.797 3.960 -0.042 0.000 0.261 458 G C 0.373 175.325 174.900 0.087 0.000 1.000 458 G CA 0.625 45.790 45.100 0.107 0.000 0.718 458 G HN 1.252 nan 8.290 nan 0.000 0.519 459 L N 1.716 122.970 121.223 0.051 0.000 2.397 459 L HA 0.458 4.773 4.340 -0.042 0.000 0.271 459 L C -1.090 175.796 176.870 0.027 0.000 1.148 459 L CA -2.365 52.492 54.840 0.028 0.000 0.825 459 L CB 0.506 42.569 42.059 0.006 0.000 1.117 459 L HN 0.023 nan 8.230 nan 0.000 0.456 460 P HA 0.221 nan 4.420 nan 0.000 0.274 460 P C -0.896 176.406 177.300 0.004 0.000 1.231 460 P CA -0.533 62.577 63.100 0.017 0.000 0.790 460 P CB 0.891 32.584 31.700 -0.012 0.000 0.951 461 R N 1.255 121.763 120.500 0.013 0.000 2.561 461 R HA 0.598 4.913 4.340 -0.042 0.000 0.297 461 R C -1.063 175.246 176.300 0.015 0.000 0.969 461 R CA -1.040 55.061 56.100 0.001 0.000 0.879 461 R CB 1.679 31.974 30.300 -0.007 0.000 1.178 461 R HN 0.250 nan 8.270 nan 0.000 0.445 462 V N 4.969 124.888 119.914 0.008 0.000 2.447 462 V HA 0.429 4.524 4.120 -0.042 0.000 0.292 462 V C -0.141 175.979 176.094 0.044 0.000 1.021 462 V CA -0.717 61.598 62.300 0.026 0.000 0.850 462 V CB 1.855 33.678 31.823 -0.001 0.000 1.005 462 V HN 0.499 nan 8.190 nan 0.000 0.426 463 L N 4.966 126.244 121.223 0.091 0.000 2.334 463 L HA 0.700 5.015 4.340 -0.042 0.000 0.275 463 L C -0.936 176.067 176.870 0.221 0.000 1.036 463 L CA -0.713 54.192 54.840 0.108 0.000 0.807 463 L CB 1.496 43.617 42.059 0.103 0.000 1.231 463 L HN 0.634 nan 8.230 nan 0.000 0.438 464 Y N 2.764 123.045 120.300 -0.032 0.000 2.521 464 Y HA 0.386 4.907 4.550 -0.049 0.000 0.332 464 Y C -2.694 173.137 175.900 -0.115 0.000 1.121 464 Y CA -2.143 55.949 58.100 -0.014 0.000 1.037 464 Y CB 2.467 40.921 38.460 -0.010 0.000 1.330 464 Y HN 0.335 nan 8.280 nan 0.000 0.452 465 P HA 0.088 nan 4.420 nan 0.000 0.263 465 P C 0.390 177.559 177.300 -0.218 0.000 1.195 465 P CA 0.614 63.471 63.100 -0.404 0.000 0.762 465 P CB 0.947 32.402 31.700 -0.408 0.000 0.799 466 T N 2.340 116.811 114.554 -0.138 0.000 2.720 466 T HA -0.208 4.117 4.350 -0.042 0.000 0.268 466 T C 1.535 176.210 174.700 -0.042 0.000 1.037 466 T CA 1.617 63.679 62.100 -0.064 0.000 1.144 466 T CB -0.437 68.388 68.868 -0.072 0.000 0.864 466 T HN 0.595 nan 8.240 nan 0.000 0.444 467 E N 1.375 121.538 120.200 -0.063 0.000 2.153 467 E HA -0.194 4.131 4.350 -0.042 0.000 0.194 467 E C 1.744 178.346 176.600 0.005 0.000 0.988 467 E CA 0.938 57.318 56.400 -0.033 0.000 0.811 467 E CB -0.219 29.456 29.700 -0.043 0.000 0.746 467 E HN 0.286 nan 8.360 nan 0.000 0.466 468 K N 0.609 121.007 120.400 -0.002 0.000 2.439 468 K HA 0.072 4.367 4.320 -0.042 0.000 0.197 468 K C 2.026 178.810 176.600 0.307 0.000 1.041 468 K CA 0.349 56.701 56.287 0.110 0.000 0.970 468 K CB 0.018 32.505 32.500 -0.021 0.000 0.773 468 K HN 0.301 nan 8.250 nan 0.000 0.479 469 L N 0.960 122.291 121.223 0.179 0.000 2.591 469 L HA 0.115 4.430 4.340 -0.042 0.000 0.228 469 L C 0.737 177.599 176.870 -0.014 0.000 1.133 469 L CA -0.401 54.447 54.840 0.014 0.000 0.880 469 L CB -0.231 41.781 42.059 -0.078 0.000 1.033 469 L HN -0.083 nan 8.230 nan 0.000 0.450 470 A N 0.353 123.204 122.820 0.052 0.000 2.580 470 A HA 0.306 4.601 4.320 -0.042 0.000 0.244 470 A C 1.508 179.122 177.584 0.050 0.000 1.045 470 A CA 0.848 52.904 52.037 0.031 0.000 0.761 470 A CB -0.376 18.645 19.000 0.034 0.000 0.962 470 A HN 0.614 nan 8.150 nan 0.000 0.512 471 G N 1.466 110.274 108.800 0.013 0.000 2.179 471 G HA2 -0.191 3.744 3.960 -0.042 0.000 0.260 471 G HA3 -0.191 3.744 3.960 -0.042 0.000 0.260 471 G C 0.649 175.559 174.900 0.016 0.000 0.977 471 G CA 1.135 46.249 45.100 0.022 0.000 0.641 471 G HN 2.232 nan 8.290 nan 0.000 0.533 472 S N -0.849 114.821 115.700 -0.050 0.000 2.707 472 S HA 0.671 5.116 4.470 -0.042 0.000 0.276 472 S C 1.025 175.539 174.600 -0.142 0.000 1.179 472 S CA 0.163 58.283 58.200 -0.132 0.000 0.992 472 S CB 1.487 64.350 63.200 -0.561 0.000 1.030 472 S HN 0.283 nan 8.310 nan 0.000 0.554 473 K N -0.097 120.217 120.400 -0.143 0.000 2.444 473 K HA 0.299 4.594 4.320 -0.042 0.000 0.193 473 K C -0.275 176.234 176.600 -0.151 0.000 1.024 473 K CA 0.159 56.375 56.287 -0.118 0.000 1.077 473 K CB -0.358 32.091 32.500 -0.084 0.000 0.833 473 K HN 0.543 nan 8.250 nan 0.000 0.517 474 I N 1.301 121.732 120.570 -0.233 0.000 2.452 474 I HA -0.079 4.066 4.170 -0.042 0.000 0.287 474 I C 0.368 176.383 176.117 -0.169 0.000 1.079 474 I CA -0.184 60.979 61.300 -0.228 0.000 1.387 474 I CB 0.444 38.240 38.000 -0.341 0.000 1.404 474 I HN 0.285 nan 8.210 nan 0.000 0.522 475 C N 4.566 123.792 119.300 -0.123 0.000 4.235 475 C HA -0.154 4.281 4.460 -0.042 0.000 0.301 475 C C 1.270 176.210 174.990 -0.082 0.000 1.409 475 C CA 0.642 59.605 59.018 -0.092 0.000 2.024 475 C CB -3.275 24.412 27.740 -0.088 0.000 1.286 475 C HN 0.966 nan 8.230 nan 0.000 0.746 476 S N 0.000 115.652 115.700 -0.080 0.000 2.498 476 S HA 0.000 4.445 4.470 -0.042 0.000 0.327 476 S CA 0.000 58.160 58.200 -0.068 0.000 1.107 476 S CB 0.000 63.159 63.200 -0.069 0.000 0.593 476 S HN 0.000 nan 8.310 nan 0.000 0.517