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 1r9x_1_A DATA FIRST_RESID 4 DATA SEQUENCE ALQTIINARL PGEEGLWQIH LQDGKISAID AQSGVMPITE NSLDAEQGLV DATA SEQUENCE IPPFVEPHIH LDTTQTAGQP NWNQSGTLFE GIERWAERKA LLTHDDVKQR DATA SEQUENCE AWQTLKWQIA NGIQHVRTHV DVSDATLTAL KAMLEVKQEV APWIDLQIVA DATA SEQUENCE FPQEGILSYP NGEALLEEAL RLGADVVGAI PHFEFTREYG VESLHKTFAL DATA SEQUENCE AQKYDRLIDV HCDEIDDEQS RFVETVAALA HHEGMGARVT ASHTTAMHSY DATA SEQUENCE NGAYTSRLFR LLKMSGINFV ANPLVNIHLQ GRFDTYPKRR GITRVKEMLE DATA SEQUENCE SGINVCFGHD GVFDPWYPLG TANMLQVLHM GLHVCQLMGY GQINDGLNLI DATA SEQUENCE THHSARTLNL QDYGIAAGNS ANLIILPAEN GFDALRRQVP VRYSVRGGKV DATA SEQUENCE IASTQPAQTT VYLEQPEAID YKR 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.581 177.584 -0.006 0.000 1.274 4 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 4 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 5 L N 1.611 122.826 121.223 -0.014 0.000 2.540 5 L HA 0.058 4.398 4.340 0.000 0.000 0.276 5 L C 1.313 178.178 176.870 -0.008 0.000 1.212 5 L CA 0.473 55.299 54.840 -0.023 0.000 0.893 5 L CB 0.462 42.497 42.059 -0.041 0.000 1.138 5 L HN 0.939 nan 8.230 nan 0.000 0.491 6 Q N 1.114 120.913 119.800 -0.001 0.000 2.353 6 Q HA 0.190 4.530 4.340 0.000 0.000 0.240 6 Q C -0.400 175.622 176.000 0.037 0.000 0.868 6 Q CA 0.305 56.123 55.803 0.024 0.000 0.944 6 Q CB 1.256 30.015 28.738 0.034 0.000 1.104 6 Q HN 0.745 nan 8.270 nan 0.000 0.531 7 T N 0.434 114.987 114.554 -0.001 0.000 2.932 7 T HA 0.425 4.775 4.350 0.000 0.000 0.318 7 T C -1.198 173.461 174.700 -0.070 0.000 1.265 7 T CA -0.609 61.467 62.100 -0.039 0.000 1.036 7 T CB 1.980 70.828 68.868 -0.033 0.000 1.209 7 T HN -0.068 nan 8.240 nan 0.000 0.484 8 I N 3.546 124.060 120.570 -0.093 0.000 2.362 8 I HA 0.524 4.694 4.170 0.000 0.000 0.289 8 I C 0.149 176.223 176.117 -0.072 0.000 0.994 8 I CA -0.928 60.326 61.300 -0.076 0.000 1.158 8 I CB 1.013 38.977 38.000 -0.060 0.000 1.315 8 I HN 0.699 nan 8.210 nan 0.000 0.451 9 I N 3.568 124.109 120.570 -0.048 0.000 2.910 9 I HA 0.595 4.765 4.170 0.000 0.000 0.310 9 I C 0.195 176.313 176.117 0.002 0.000 1.043 9 I CA -0.709 60.572 61.300 -0.032 0.000 1.053 9 I CB 1.672 39.653 38.000 -0.031 0.000 1.242 9 I HN 0.476 nan 8.210 nan 0.000 0.452 10 N N 1.304 120.011 118.700 0.012 0.000 2.725 10 N HA -0.178 4.562 4.740 0.000 0.000 0.251 10 N C -0.414 175.134 175.510 0.064 0.000 1.031 10 N CA 1.052 54.120 53.050 0.031 0.000 0.720 10 N CB -1.224 37.277 38.487 0.024 0.000 0.930 10 N HN 0.904 nan 8.380 nan 0.000 0.543 11 A N 0.444 123.323 122.820 0.098 0.000 2.301 11 A HA 0.642 4.962 4.320 0.000 0.000 0.312 11 A C 0.608 178.316 177.584 0.207 0.000 1.182 11 A CA -0.526 51.585 52.037 0.123 0.000 0.826 11 A CB 1.128 20.187 19.000 0.098 0.000 1.134 11 A HN 0.264 nan 8.150 nan 0.000 0.501 12 R N 0.980 121.574 120.500 0.155 0.000 2.486 12 R HA 0.666 5.006 4.340 0.000 0.000 0.286 12 R C -1.192 175.162 176.300 0.089 0.000 0.999 12 R CA -0.417 55.791 56.100 0.180 0.000 0.993 12 R CB 1.230 31.609 30.300 0.131 0.000 1.084 12 R HN 0.665 nan 8.270 nan 0.000 0.487 13 L N 3.087 124.328 121.223 0.030 0.000 2.386 13 L HA 0.461 4.801 4.340 0.000 0.000 0.271 13 L C -2.308 174.528 176.870 -0.057 0.000 0.993 13 L CA -2.555 52.222 54.840 -0.105 0.000 0.819 13 L CB 2.217 44.053 42.059 -0.372 0.000 1.294 13 L HN 0.301 nan 8.230 nan 0.000 0.414 14 P HA 0.077 nan 4.420 nan 0.000 0.265 14 P C 0.786 178.068 177.300 -0.030 0.000 1.193 14 P CA 0.678 63.775 63.100 -0.005 0.000 0.765 14 P CB 0.737 32.446 31.700 0.015 0.000 0.823 15 G N 1.021 109.822 108.800 0.001 0.000 2.189 15 G HA2 -0.209 3.751 3.960 0.000 0.000 0.267 15 G HA3 -0.209 3.751 3.960 0.000 0.000 0.267 15 G C 0.081 174.984 174.900 0.005 0.000 0.975 15 G CA -0.046 45.053 45.100 -0.002 0.000 0.644 15 G HN 0.538 nan 8.290 nan 0.000 0.537 16 E N 0.489 120.694 120.200 0.009 0.000 2.244 16 E HA 0.514 4.864 4.350 0.000 0.000 0.266 16 E C 0.082 176.807 176.600 0.208 0.000 0.914 16 E CA -0.605 55.841 56.400 0.076 0.000 0.794 16 E CB 1.445 31.082 29.700 -0.105 0.000 1.210 16 E HN 0.552 nan 8.360 nan 0.000 0.414 17 E N 0.109 120.478 120.200 0.280 0.000 2.280 17 E HA 0.519 4.870 4.350 0.000 0.000 0.264 17 E C 0.426 177.208 176.600 0.304 0.000 1.064 17 E CA -0.399 56.140 56.400 0.231 0.000 0.900 17 E CB 1.165 30.951 29.700 0.145 0.000 1.123 17 E HN 0.689 nan 8.360 nan 0.000 0.418 18 G N 0.425 109.320 108.800 0.158 0.000 2.698 18 G HA2 -0.264 3.696 3.960 0.000 0.000 0.233 18 G HA3 -0.264 3.696 3.960 0.000 0.000 0.233 18 G C -0.682 174.265 174.900 0.078 0.000 1.352 18 G CA -0.571 44.555 45.100 0.043 0.000 0.879 18 G HN 0.375 nan 8.290 nan 0.000 0.567 19 L N -1.225 119.915 121.223 -0.139 0.000 2.330 19 L HA 0.830 5.170 4.340 0.000 0.000 0.271 19 L C -0.419 176.221 176.870 -0.382 0.000 1.013 19 L CA -0.811 53.991 54.840 -0.063 0.000 0.816 19 L CB 1.872 43.904 42.059 -0.046 0.000 1.287 19 L HN 0.660 nan 8.230 nan 0.000 0.435 20 W N 0.421 121.713 121.300 -0.014 0.000 3.033 20 W HA 0.552 5.212 4.660 0.000 0.000 0.336 20 W C -0.572 175.911 176.519 -0.060 0.000 1.173 20 W CA -0.426 56.903 57.345 -0.027 0.000 1.185 20 W CB 1.534 30.981 29.460 -0.022 0.000 1.425 20 W HN 0.284 nan 8.180 nan 0.000 0.536 21 Q N 2.099 121.970 119.800 0.117 0.000 2.331 21 Q HA 0.643 4.983 4.340 0.000 0.000 0.267 21 Q C -1.223 174.688 176.000 -0.148 0.000 1.006 21 Q CA -0.522 55.235 55.803 -0.077 0.000 0.818 21 Q CB 1.292 29.926 28.738 -0.174 0.000 1.276 21 Q HN 0.566 nan 8.270 nan 0.000 0.450 22 I N 4.575 125.032 120.570 -0.188 0.000 2.354 22 I HA 0.268 4.438 4.170 0.000 0.000 0.286 22 I C -0.376 175.612 176.117 -0.215 0.000 1.007 22 I CA -0.767 60.448 61.300 -0.141 0.000 1.167 22 I CB 0.795 38.762 38.000 -0.055 0.000 1.320 22 I HN 0.531 nan 8.210 nan 0.000 0.458 23 H N 7.065 126.153 119.070 0.029 0.000 2.610 23 H HA 0.488 5.044 4.556 0.000 0.000 0.336 23 H C -0.420 174.911 175.328 0.005 0.000 1.087 23 H CA -0.164 55.893 56.048 0.015 0.000 1.405 23 H CB 1.460 31.233 29.762 0.018 0.000 1.460 23 H HN 0.385 nan 8.280 nan 0.000 0.538 24 L N 2.405 123.692 121.223 0.106 0.000 2.346 24 L HA 0.472 4.812 4.340 0.000 0.000 0.274 24 L C -0.071 176.827 176.870 0.047 0.000 1.007 24 L CA -0.615 54.256 54.840 0.053 0.000 0.818 24 L CB 2.019 44.089 42.059 0.018 0.000 1.284 24 L HN 0.486 nan 8.230 nan 0.000 0.424 25 Q N 1.969 121.786 119.800 0.029 0.000 2.313 25 Q HA 0.175 4.515 4.340 0.000 0.000 0.260 25 Q C -1.485 174.520 176.000 0.009 0.000 0.972 25 Q CA -0.502 55.312 55.803 0.019 0.000 0.886 25 Q CB 1.721 30.470 28.738 0.018 0.000 1.373 25 Q HN 0.713 nan 8.270 nan 0.000 0.416 26 D N 3.137 123.540 120.400 0.004 0.000 2.723 26 D HA -0.210 4.430 4.640 0.000 0.000 0.236 26 D C 0.637 176.935 176.300 -0.003 0.000 1.138 26 D CA 1.855 55.855 54.000 -0.001 0.000 0.676 26 D CB -1.265 39.535 40.800 -0.001 0.000 1.069 26 D HN 1.171 nan 8.370 nan 0.000 0.430 27 G N -0.621 108.177 108.800 -0.004 0.000 2.168 27 G HA2 -0.368 3.592 3.960 0.000 0.000 0.263 27 G HA3 -0.368 3.592 3.960 0.000 0.000 0.263 27 G C 0.324 175.220 174.900 -0.007 0.000 0.977 27 G CA 1.117 46.211 45.100 -0.009 0.000 0.659 27 G HN 0.535 nan 8.290 nan 0.000 0.533 28 K N -0.860 119.539 120.400 -0.001 0.000 2.395 28 K HA 0.695 5.015 4.320 0.000 0.000 0.245 28 K C -0.038 176.567 176.600 0.008 0.000 1.017 28 K CA -1.196 55.092 56.287 0.001 0.000 0.852 28 K CB 1.797 34.299 32.500 0.004 0.000 1.311 28 K HN 0.086 nan 8.250 nan 0.000 0.452 29 I N 2.157 122.731 120.570 0.007 0.000 2.337 29 I HA -0.045 4.125 4.170 0.000 0.000 0.291 29 I C 1.296 177.433 176.117 0.033 0.000 1.046 29 I CA 0.160 61.471 61.300 0.018 0.000 1.324 29 I CB 1.159 39.160 38.000 0.003 0.000 1.409 29 I HN 0.760 nan 8.210 nan 0.000 0.494 30 S N 4.741 120.476 115.700 0.058 0.000 2.439 30 S HA 0.410 4.880 4.470 0.000 0.000 0.224 30 S C 0.646 175.288 174.600 0.071 0.000 1.029 30 S CA 0.191 58.424 58.200 0.055 0.000 0.946 30 S CB 0.403 63.633 63.200 0.050 0.000 0.797 30 S HN 0.737 nan 8.310 nan 0.000 0.504 31 A N 0.117 123.013 122.820 0.127 0.000 2.597 31 A HA 0.715 5.035 4.320 0.000 0.000 0.292 31 A C -1.818 175.891 177.584 0.208 0.000 1.057 31 A CA -0.869 51.260 52.037 0.154 0.000 0.674 31 A CB 0.641 19.728 19.000 0.145 0.000 1.278 31 A HN 0.331 nan 8.150 nan 0.000 0.416 32 I N 1.827 122.508 120.570 0.185 0.000 2.468 32 I HA 0.383 4.553 4.170 0.000 0.000 0.285 32 I C -1.381 174.908 176.117 0.287 0.000 1.039 32 I CA -0.417 60.998 61.300 0.191 0.000 1.074 32 I CB 2.047 40.112 38.000 0.109 0.000 1.228 32 I HN 0.507 nan 8.210 nan 0.000 0.436 33 D N 5.244 125.823 120.400 0.298 0.000 2.481 33 D HA 0.554 5.194 4.640 0.000 0.000 0.244 33 D C -0.313 176.064 176.300 0.128 0.000 1.057 33 D CA -0.363 53.785 54.000 0.246 0.000 0.848 33 D CB 2.642 43.566 40.800 0.207 0.000 1.388 33 D HN 0.509 nan 8.370 nan 0.000 0.475 34 A N 1.879 124.590 122.820 -0.182 0.000 2.351 34 A HA 0.353 4.673 4.320 0.000 0.000 0.257 34 A C 0.051 177.370 177.584 -0.442 0.000 1.087 34 A CA -0.219 51.312 52.037 -0.843 0.000 0.798 34 A CB 0.489 18.810 19.000 -1.131 0.000 1.033 34 A HN 0.489 nan 8.150 nan 0.000 0.488 35 Q N 0.085 119.598 119.800 -0.480 0.000 2.301 35 Q HA 0.449 4.789 4.340 0.000 0.000 0.267 35 Q C 0.508 176.360 176.000 -0.247 0.000 1.035 35 Q CA -0.099 55.551 55.803 -0.254 0.000 0.856 35 Q CB 1.731 30.363 28.738 -0.177 0.000 1.337 35 Q HN 0.842 nan 8.270 nan 0.000 0.450 36 S N -0.836 114.773 115.700 -0.153 0.000 2.540 36 S HA 0.415 4.885 4.470 0.000 0.000 0.218 36 S C 0.524 175.071 174.600 -0.088 0.000 0.977 36 S CA 0.125 58.252 58.200 -0.122 0.000 0.918 36 S CB 0.538 63.685 63.200 -0.088 0.000 0.806 36 S HN 0.729 nan 8.310 nan 0.000 0.496 37 G N 0.312 109.063 108.800 -0.082 0.000 2.490 37 G HA2 0.472 4.432 3.960 0.000 0.000 0.308 37 G HA3 0.472 4.432 3.960 0.000 0.000 0.308 37 G C -1.618 173.254 174.900 -0.045 0.000 1.286 37 G CA -0.567 44.501 45.100 -0.053 0.000 0.825 37 G HN 0.172 nan 8.290 nan 0.000 0.479 38 V N 2.053 121.952 119.914 -0.026 0.000 2.530 38 V HA 0.371 4.491 4.120 0.000 0.000 0.282 38 V C 0.446 176.532 176.094 -0.015 0.000 1.048 38 V CA -0.214 62.077 62.300 -0.016 0.000 0.997 38 V CB 1.214 33.034 31.823 -0.004 0.000 0.987 38 V HN 0.561 nan 8.190 nan 0.000 0.477 39 M N 7.213 126.805 119.600 -0.014 0.000 2.314 39 M HA 0.417 4.897 4.480 0.000 0.000 0.342 39 M C -2.234 174.064 176.300 -0.003 0.000 1.171 39 M CA -2.126 53.168 55.300 -0.010 0.000 1.098 39 M CB 1.337 33.929 32.600 -0.013 0.000 1.559 39 M HN 0.384 nan 8.290 nan 0.000 0.459 40 P HA 0.254 nan 4.420 nan 0.000 0.278 40 P C -0.500 176.802 177.300 0.002 0.000 1.238 40 P CA -0.529 62.572 63.100 0.002 0.000 0.794 40 P CB 1.005 32.707 31.700 0.003 0.000 0.955 41 I N 1.368 121.941 120.570 0.004 0.000 3.079 41 I HA 0.462 4.632 4.170 0.000 0.000 0.295 41 I C 0.389 176.507 176.117 0.002 0.000 1.094 41 I CA 0.766 62.067 61.300 0.001 0.000 1.295 41 I CB 0.926 38.929 38.000 0.005 0.000 1.443 41 I HN 0.561 nan 8.210 nan 0.000 0.607 42 T N 2.662 117.215 114.554 -0.001 0.000 2.686 42 T HA 0.324 4.674 4.350 0.000 0.000 0.308 42 T C -1.600 173.099 174.700 -0.003 0.000 1.667 42 T CA -0.735 61.366 62.100 0.001 0.000 0.987 42 T CB 0.460 69.330 68.868 0.004 0.000 1.652 42 T HN 0.533 nan 8.240 nan 0.000 0.496 43 E N 1.863 122.063 120.200 0.000 0.000 2.452 43 E HA 0.304 4.654 4.350 0.000 0.000 0.261 43 E C 0.708 177.305 176.600 -0.004 0.000 0.987 43 E CA 0.976 57.375 56.400 -0.002 0.000 0.926 43 E CB -0.172 29.529 29.700 0.002 0.000 0.934 43 E HN 0.716 nan 8.360 nan 0.000 0.452 44 N N 0.181 118.874 118.700 -0.011 0.000 2.948 44 N HA -0.168 4.572 4.740 0.000 0.000 0.239 44 N C -0.946 174.551 175.510 -0.023 0.000 0.954 44 N CA 0.599 53.641 53.050 -0.014 0.000 0.941 44 N CB -0.630 37.856 38.487 -0.002 0.000 1.101 44 N HN 0.276 nan 8.380 nan 0.000 0.579 45 S N 0.478 116.160 115.700 -0.030 0.000 2.454 45 S HA 0.569 5.039 4.470 0.000 0.000 0.306 45 S C -0.689 173.866 174.600 -0.074 0.000 1.100 45 S CA -0.617 57.558 58.200 -0.042 0.000 1.087 45 S CB 2.135 65.320 63.200 -0.025 0.000 1.019 45 S HN 0.260 nan 8.310 nan 0.000 0.480 46 L N 3.674 124.833 121.223 -0.106 0.000 2.265 46 L HA 0.489 4.829 4.340 0.000 0.000 0.289 46 L C -0.627 176.174 176.870 -0.115 0.000 1.033 46 L CA -0.352 54.381 54.840 -0.179 0.000 0.814 46 L CB 1.013 42.915 42.059 -0.262 0.000 1.203 46 L HN 0.471 nan 8.230 nan 0.000 0.423 47 D N 3.825 124.178 120.400 -0.078 0.000 2.339 47 D HA 0.312 4.952 4.640 0.000 0.000 0.241 47 D C 0.737 177.057 176.300 0.033 0.000 1.183 47 D CA 0.247 54.240 54.000 -0.011 0.000 0.859 47 D CB 1.864 42.673 40.800 0.015 0.000 1.067 47 D HN 0.688 nan 8.370 nan 0.000 0.484 48 A N 3.939 126.781 122.820 0.037 0.000 2.206 48 A HA -0.026 4.294 4.320 0.000 0.000 0.211 48 A C 0.790 178.424 177.584 0.082 0.000 1.158 48 A CA 0.344 52.426 52.037 0.075 0.000 0.761 48 A CB -0.490 18.545 19.000 0.058 0.000 0.801 48 A HN 0.799 nan 8.150 nan 0.000 0.473 49 E N -0.765 119.475 120.200 0.066 0.000 2.269 49 E HA -0.318 4.032 4.350 0.000 0.000 0.223 49 E C -0.250 176.386 176.600 0.060 0.000 1.244 49 E CA 0.544 56.980 56.400 0.061 0.000 0.713 49 E CB -2.050 27.692 29.700 0.070 0.000 1.178 49 E HN 0.800 nan 8.360 nan 0.000 0.370 50 Q N -3.647 116.189 119.800 0.060 0.000 2.481 50 Q HA -0.212 4.128 4.340 0.000 0.000 0.258 50 Q C 0.592 176.637 176.000 0.075 0.000 0.961 50 Q CA 0.918 56.761 55.803 0.066 0.000 1.121 50 Q CB -1.679 27.092 28.738 0.056 0.000 1.503 50 Q HN 0.580 nan 8.270 nan 0.000 0.544 51 G N 0.103 108.949 108.800 0.076 0.000 2.557 51 G HA2 0.533 4.493 3.960 0.000 0.000 0.292 51 G HA3 0.533 4.493 3.960 0.000 0.000 0.292 51 G C -0.645 174.299 174.900 0.074 0.000 1.237 51 G CA -0.709 44.437 45.100 0.077 0.000 0.978 51 G HN 0.051 nan 8.290 nan 0.000 0.498 52 L N 0.108 121.370 121.223 0.065 0.000 2.292 52 L HA 0.542 4.882 4.340 0.000 0.000 0.284 52 L C -0.194 176.687 176.870 0.017 0.000 1.065 52 L CA -0.254 54.615 54.840 0.049 0.000 0.806 52 L CB 1.707 43.797 42.059 0.052 0.000 1.175 52 L HN 0.161 nan 8.230 nan 0.000 0.431 53 V N 6.665 126.580 119.914 0.001 0.000 2.417 53 V HA 0.559 4.679 4.120 0.000 0.000 0.291 53 V C 0.023 176.072 176.094 -0.074 0.000 1.024 53 V CA -0.439 61.840 62.300 -0.034 0.000 0.861 53 V CB 1.349 33.159 31.823 -0.022 0.000 0.985 53 V HN 0.731 nan 8.190 nan 0.000 0.436 54 I N 3.091 123.585 120.570 -0.126 0.000 3.095 54 I HA 0.746 4.916 4.170 0.000 0.000 0.310 54 I C -2.793 173.176 176.117 -0.246 0.000 1.196 54 I CA -2.690 58.511 61.300 -0.165 0.000 0.985 54 I CB 2.666 40.557 38.000 -0.182 0.000 1.250 54 I HN 0.339 nan 8.210 nan 0.000 0.446 55 P HA 0.278 nan 4.420 nan 0.000 0.273 55 P C -2.679 174.410 177.300 -0.352 0.000 1.250 55 P CA -1.254 61.546 63.100 -0.501 0.000 0.793 55 P CB -0.629 30.429 31.700 -1.071 0.000 1.011 56 P HA 0.058 nan 4.420 nan 0.000 0.268 56 P C -0.122 177.256 177.300 0.130 0.000 1.208 56 P CA 0.510 63.593 63.100 -0.028 0.000 0.777 56 P CB 0.051 31.823 31.700 0.119 0.000 0.875 57 F N 0.357 120.393 119.950 0.143 0.000 2.490 57 F HA 0.197 4.724 4.527 0.000 0.000 0.336 57 F C 0.792 176.694 175.800 0.170 0.000 1.178 57 F CA -0.018 58.062 58.000 0.135 0.000 1.301 57 F CB 0.488 39.549 39.000 0.101 0.000 1.175 57 F HN -0.020 nan 8.300 nan 0.000 0.593 58 V N 1.332 121.459 119.914 0.355 0.000 2.735 58 V HA 0.285 4.405 4.120 0.000 0.000 0.310 58 V C -0.871 175.316 176.094 0.155 0.000 1.061 58 V CA -0.804 61.628 62.300 0.221 0.000 0.913 58 V CB 1.923 33.797 31.823 0.085 0.000 1.005 58 V HN 0.589 nan 8.190 nan 0.000 0.428 59 E N 6.667 126.941 120.200 0.124 0.000 2.121 59 E HA 0.414 4.764 4.350 0.000 0.000 0.255 59 E C -2.007 174.632 176.600 0.063 0.000 0.906 59 E CA -2.256 54.203 56.400 0.097 0.000 0.745 59 E CB 1.689 31.441 29.700 0.087 0.000 1.155 59 E HN 0.340 nan 8.360 nan 0.000 0.424 60 P HA -0.019 nan 4.420 nan 0.000 0.236 60 P C -0.636 176.702 177.300 0.064 0.000 1.177 60 P CA 0.504 63.623 63.100 0.031 0.000 0.773 60 P CB 0.115 31.833 31.700 0.031 0.000 0.878 61 H N -1.236 117.823 119.070 -0.019 0.000 3.287 61 H HA 0.592 5.148 4.556 0.000 0.000 0.329 61 H C -1.493 173.839 175.328 0.006 0.000 1.130 61 H CA -0.544 55.496 56.048 -0.015 0.000 1.593 61 H CB 0.616 30.319 29.762 -0.099 0.000 1.916 61 H HN -0.119 nan 8.280 nan 0.000 0.503 62 I N 3.273 123.892 120.570 0.082 0.000 3.006 62 I HA 0.309 4.479 4.170 0.000 0.000 0.306 62 I C -1.194 174.878 176.117 -0.075 0.000 1.250 62 I CA -0.732 60.639 61.300 0.119 0.000 0.996 62 I CB 2.117 40.159 38.000 0.070 0.000 1.261 62 I HN 0.703 nan 8.210 nan 0.000 0.442 63 H N 7.748 126.864 119.070 0.076 0.000 2.697 63 H HA 0.339 4.895 4.556 0.000 0.000 0.270 63 H C 0.336 175.676 175.328 0.019 0.000 1.188 63 H CA -0.286 55.781 56.048 0.033 0.000 1.322 63 H CB 1.380 31.149 29.762 0.012 0.000 1.405 63 H HN 0.503 nan 8.280 nan 0.000 0.502 64 L N 1.192 122.437 121.223 0.037 0.000 2.465 64 L HA -0.121 4.219 4.340 0.000 0.000 0.224 64 L C 1.792 178.684 176.870 0.037 0.000 1.145 64 L CA 0.629 55.474 54.840 0.007 0.000 0.834 64 L CB -0.036 41.985 42.059 -0.064 0.000 0.944 64 L HN 0.511 nan 8.230 nan 0.000 0.451 65 D N -1.511 118.931 120.400 0.069 0.000 2.277 65 D HA -0.138 4.502 4.640 0.000 0.000 0.208 65 D C 1.709 178.110 176.300 0.169 0.000 0.962 65 D CA 1.433 55.493 54.000 0.100 0.000 0.865 65 D CB -0.293 40.563 40.800 0.093 0.000 0.939 65 D HN 0.305 nan 8.370 nan 0.000 0.510 66 T N -4.059 110.567 114.554 0.120 0.000 3.023 66 T HA 0.097 4.447 4.350 0.000 0.000 0.253 66 T C 0.990 175.824 174.700 0.223 0.000 1.038 66 T CA -0.195 61.980 62.100 0.126 0.000 0.962 66 T CB -0.283 68.516 68.868 -0.115 0.000 1.018 66 T HN 0.026 nan 8.240 nan 0.000 0.521 67 T N 2.466 117.114 114.554 0.156 0.000 2.937 67 T HA 0.102 4.452 4.350 0.000 0.000 0.316 67 T C 0.406 175.140 174.700 0.058 0.000 1.079 67 T CA 0.388 62.559 62.100 0.119 0.000 1.131 67 T CB -0.066 68.829 68.868 0.046 0.000 1.000 67 T HN 0.464 nan 8.240 nan 0.000 0.549 68 Q N 0.504 120.320 119.800 0.027 0.000 2.416 68 Q HA -0.166 4.174 4.340 0.000 0.000 0.235 68 Q C 1.039 176.887 176.000 -0.254 0.000 0.773 68 Q CA 1.637 57.352 55.803 -0.146 0.000 1.286 68 Q CB -2.742 25.905 28.738 -0.152 0.000 1.556 68 Q HN 1.041 nan 8.270 nan 0.000 0.650 69 T N -3.591 110.888 114.554 -0.125 0.000 3.069 69 T HA 0.555 4.905 4.350 0.000 0.000 0.252 69 T C 0.818 175.353 174.700 -0.275 0.000 1.053 69 T CA 0.391 62.404 62.100 -0.145 0.000 0.964 69 T CB 0.357 69.289 68.868 0.106 0.000 1.005 69 T HN 0.507 nan 8.240 nan 0.000 0.532 70 A N 0.858 123.484 122.820 -0.323 0.000 2.567 70 A HA 0.500 4.820 4.320 0.000 0.000 0.240 70 A C 1.740 178.822 177.584 -0.836 0.000 1.053 70 A CA 0.387 52.232 52.037 -0.320 0.000 0.755 70 A CB -1.120 17.921 19.000 0.069 0.000 0.978 70 A HN 1.525 nan 8.150 nan 0.000 0.507 71 G N 1.331 109.531 108.800 -1.000 0.000 2.179 71 G HA2 -0.225 3.735 3.960 0.000 0.000 0.260 71 G HA3 -0.225 3.735 3.960 0.000 0.000 0.260 71 G C 0.025 174.351 174.900 -0.958 0.000 0.977 71 G CA 0.624 44.653 45.100 -1.785 0.000 0.641 71 G HN 1.038 nan 8.290 nan 0.000 0.533 72 Q N -0.002 119.442 119.800 -0.595 0.000 2.357 72 Q HA 0.403 4.743 4.340 0.000 0.000 0.266 72 Q C -1.749 174.063 176.000 -0.313 0.000 1.021 72 Q CA -1.851 53.711 55.803 -0.402 0.000 0.784 72 Q CB 2.746 31.278 28.738 -0.344 0.000 1.243 72 Q HN 0.268 nan 8.270 nan 0.000 0.465 73 P HA -0.027 nan 4.420 nan 0.000 0.235 73 P C -0.439 176.714 177.300 -0.245 0.000 1.177 73 P CA 0.570 63.530 63.100 -0.233 0.000 0.785 73 P CB 0.736 32.337 31.700 -0.165 0.000 0.885 74 N N -0.565 117.990 118.700 -0.242 0.000 2.312 74 N HA 0.197 4.937 4.740 0.000 0.000 0.296 74 N C -0.847 174.533 175.510 -0.216 0.000 1.193 74 N CA -0.416 52.528 53.050 -0.177 0.000 0.773 74 N CB 0.907 39.359 38.487 -0.059 0.000 1.435 74 N HN -0.061 nan 8.380 nan 0.000 0.484 75 W N 0.279 121.553 121.300 -0.043 0.000 2.303 75 W HA 0.290 4.950 4.660 0.000 0.000 0.334 75 W C 1.042 177.535 176.519 -0.043 0.000 1.197 75 W CA -0.451 56.870 57.345 -0.040 0.000 1.262 75 W CB 0.442 29.891 29.460 -0.019 0.000 1.153 75 W HN 0.322 nan 8.180 nan 0.000 0.596 76 N N 2.227 121.070 118.700 0.238 0.000 2.415 76 N HA -0.017 4.723 4.740 0.000 0.000 0.250 76 N C 0.717 176.303 175.510 0.126 0.000 1.127 76 N CA 0.273 53.390 53.050 0.112 0.000 0.945 76 N CB 0.836 39.353 38.487 0.049 0.000 1.196 76 N HN 0.442 nan 8.380 nan 0.000 0.499 77 Q N 1.422 121.283 119.800 0.101 0.000 2.212 77 Q HA -0.051 4.289 4.340 0.000 0.000 0.199 77 Q C 1.601 177.629 176.000 0.048 0.000 0.950 77 Q CA 1.033 56.875 55.803 0.065 0.000 0.863 77 Q CB -0.119 28.654 28.738 0.058 0.000 0.944 77 Q HN 0.788 nan 8.270 nan 0.000 0.465 78 S N -0.969 114.768 115.700 0.062 0.000 2.436 78 S HA 0.093 4.563 4.470 0.000 0.000 0.228 78 S C 1.578 176.221 174.600 0.072 0.000 1.014 78 S CA 0.921 59.157 58.200 0.061 0.000 0.950 78 S CB 0.021 63.266 63.200 0.075 0.000 0.784 78 S HN 0.450 nan 8.310 nan 0.000 0.504 79 G N 1.454 110.309 108.800 0.093 0.000 2.159 79 G HA2 -0.256 3.704 3.960 0.000 0.000 0.256 79 G HA3 -0.256 3.704 3.960 0.000 0.000 0.256 79 G C 0.224 175.249 174.900 0.208 0.000 0.977 79 G CA 0.511 45.702 45.100 0.150 0.000 0.652 79 G HN 1.219 nan 8.290 nan 0.000 0.531 80 T N -2.062 112.572 114.554 0.132 0.000 2.899 80 T HA 0.619 4.969 4.350 0.000 0.000 0.284 80 T C 1.566 176.360 174.700 0.157 0.000 1.004 80 T CA 0.018 62.185 62.100 0.112 0.000 1.043 80 T CB 1.915 70.848 68.868 0.110 0.000 1.013 80 T HN 0.836 nan 8.240 nan 0.000 0.518 81 L N 1.075 122.406 121.223 0.179 0.000 2.017 81 L HA 0.081 4.421 4.340 0.000 0.000 0.208 81 L C 2.149 179.223 176.870 0.339 0.000 1.073 81 L CA 1.712 56.742 54.840 0.316 0.000 0.745 81 L CB -1.237 40.985 42.059 0.271 0.000 0.894 81 L HN 0.802 nan 8.230 nan 0.000 0.432 82 F N 0.845 120.891 119.950 0.160 0.000 2.065 82 F HA -0.294 4.233 4.527 0.000 0.000 0.298 82 F C 2.611 178.481 175.800 0.117 0.000 1.112 82 F CA 2.330 60.421 58.000 0.152 0.000 1.212 82 F CB -0.383 38.687 39.000 0.117 0.000 0.975 82 F HN 0.379 nan 8.300 nan 0.000 0.476 83 E N -0.511 119.794 120.200 0.174 0.000 2.150 83 E HA -0.108 4.242 4.350 0.000 0.000 0.193 83 E C 2.447 178.994 176.600 -0.089 0.000 0.985 83 E CA 0.970 57.388 56.400 0.030 0.000 0.814 83 E CB -0.643 29.113 29.700 0.093 0.000 0.752 83 E HN 0.512 nan 8.360 nan 0.000 0.466 84 G N 1.328 110.053 108.800 -0.126 0.000 2.418 84 G HA2 -0.243 3.717 3.960 0.000 0.000 0.217 84 G HA3 -0.243 3.717 3.960 0.000 0.000 0.217 84 G C 1.560 176.216 174.900 -0.406 0.000 1.158 84 G CA 0.915 45.720 45.100 -0.493 0.000 0.771 84 G HN 0.263 nan 8.290 nan 0.000 0.545 85 I N 0.466 121.044 120.570 0.015 0.000 2.226 85 I HA -0.147 4.024 4.170 0.000 0.000 0.245 85 I C 2.751 178.901 176.117 0.054 0.000 1.100 85 I CA 1.234 62.655 61.300 0.201 0.000 1.374 85 I CB -0.300 37.789 38.000 0.149 0.000 1.057 85 I HN 0.259 nan 8.210 nan 0.000 0.413 86 E N 0.495 120.629 120.200 -0.110 0.000 2.077 86 E HA -0.184 4.166 4.350 0.000 0.000 0.193 86 E C 2.347 178.907 176.600 -0.066 0.000 0.989 86 E CA 0.790 57.126 56.400 -0.107 0.000 0.800 86 E CB -0.040 29.564 29.700 -0.160 0.000 0.746 86 E HN 0.321 nan 8.360 nan 0.000 0.452 87 R N 0.512 120.956 120.500 -0.094 0.000 2.096 87 R HA -0.124 4.216 4.340 0.000 0.000 0.235 87 R C 1.952 178.196 176.300 -0.094 0.000 1.127 87 R CA 0.836 56.869 56.100 -0.111 0.000 0.968 87 R CB -0.730 29.483 30.300 -0.146 0.000 0.861 87 R HN 0.500 nan 8.270 nan 0.000 0.440 88 W N 1.375 122.527 121.300 -0.247 0.000 2.381 88 W HA -0.111 4.549 4.660 -0.000 0.000 0.301 88 W C 1.646 178.127 176.519 -0.063 0.000 1.205 88 W CA 1.496 58.745 57.345 -0.160 0.000 1.285 88 W CB -0.114 29.306 29.460 -0.068 0.000 1.133 88 W HN 0.089 nan 8.180 nan 0.000 0.521 89 A N 0.957 123.790 122.820 0.022 0.000 2.019 89 A HA -0.227 4.093 4.320 0.000 0.000 0.219 89 A C 1.725 179.217 177.584 -0.153 0.000 1.164 89 A CA 1.768 53.772 52.037 -0.054 0.000 0.644 89 A CB -0.805 18.214 19.000 0.032 0.000 0.805 89 A HN 0.519 nan 8.150 nan 0.000 0.449 90 E N -1.071 119.035 120.200 -0.158 0.000 2.427 90 E HA -0.071 4.279 4.350 0.000 0.000 0.196 90 E C 1.825 178.293 176.600 -0.220 0.000 1.028 90 E CA 0.423 56.728 56.400 -0.157 0.000 0.864 90 E CB -0.022 29.600 29.700 -0.129 0.000 0.813 90 E HN 0.572 nan 8.360 nan 0.000 0.514 91 R N 0.975 121.272 120.500 -0.340 0.000 2.393 91 R HA 0.008 4.348 4.340 0.000 0.000 0.244 91 R C 1.745 177.789 176.300 -0.426 0.000 0.920 91 R CA 0.028 55.888 56.100 -0.400 0.000 1.076 91 R CB 0.254 30.240 30.300 -0.523 0.000 1.119 91 R HN -0.149 nan 8.270 nan 0.000 0.524 92 K N 1.239 121.416 120.400 -0.372 0.000 2.052 92 K HA -0.180 4.140 4.320 0.000 0.000 0.215 92 K C 1.605 178.089 176.600 -0.193 0.000 1.053 92 K CA 2.259 58.379 56.287 -0.278 0.000 0.934 92 K CB -0.481 31.921 32.500 -0.163 0.000 0.717 92 K HN 0.223 nan 8.250 nan 0.000 0.450 93 A N 0.130 122.857 122.820 -0.156 0.000 2.076 93 A HA -0.087 4.233 4.320 0.000 0.000 0.220 93 A C 1.741 179.256 177.584 -0.114 0.000 1.160 93 A CA 1.485 53.455 52.037 -0.112 0.000 0.653 93 A CB -0.420 18.523 19.000 -0.095 0.000 0.801 93 A HN 0.326 nan 8.150 nan 0.000 0.455 94 L N -0.763 120.365 121.223 -0.158 0.000 2.529 94 L HA 0.181 4.521 4.340 0.000 0.000 0.223 94 L C 0.816 177.608 176.870 -0.131 0.000 1.113 94 L CA 0.370 55.125 54.840 -0.142 0.000 0.861 94 L CB -1.009 40.947 42.059 -0.171 0.000 1.012 94 L HN 0.331 nan 8.230 nan 0.000 0.461 95 L N 2.909 124.040 121.223 -0.153 0.000 2.454 95 L HA 0.184 4.524 4.340 0.000 0.000 0.284 95 L C 0.309 177.164 176.870 -0.024 0.000 1.139 95 L CA 0.665 55.447 54.840 -0.097 0.000 0.911 95 L CB -0.399 41.592 42.059 -0.112 0.000 1.262 95 L HN 0.315 nan 8.230 nan 0.000 0.453 96 T N -0.459 114.094 114.554 -0.001 0.000 2.864 96 T HA 0.243 4.593 4.350 0.000 0.000 0.289 96 T C 1.022 175.767 174.700 0.075 0.000 1.082 96 T CA -0.415 61.709 62.100 0.041 0.000 1.009 96 T CB 1.373 70.261 68.868 0.034 0.000 1.234 96 T HN 0.546 nan 8.240 nan 0.000 0.526 97 H N 0.456 119.534 119.070 0.014 0.000 2.265 97 H HA -0.095 4.462 4.556 0.000 0.000 0.295 97 H C 1.441 176.788 175.328 0.030 0.000 1.084 97 H CA 2.743 58.806 56.048 0.024 0.000 1.261 97 H CB -0.349 29.426 29.762 0.021 0.000 1.360 97 H HN 0.676 nan 8.280 nan 0.000 0.487 98 D N -0.514 119.952 120.400 0.111 0.000 2.178 98 D HA -0.138 4.502 4.640 0.000 0.000 0.201 98 D C 1.886 178.184 176.300 -0.003 0.000 0.980 98 D CA 1.475 55.502 54.000 0.044 0.000 0.842 98 D CB -0.551 40.293 40.800 0.074 0.000 0.948 98 D HN 0.572 nan 8.370 nan 0.000 0.472 99 D N -0.050 120.349 120.400 -0.002 0.000 2.117 99 D HA -0.119 4.521 4.640 0.000 0.000 0.198 99 D C 1.988 178.281 176.300 -0.011 0.000 0.982 99 D CA 0.739 54.730 54.000 -0.015 0.000 0.828 99 D CB 0.074 40.859 40.800 -0.026 0.000 0.967 99 D HN -0.044 nan 8.370 nan 0.000 0.464 100 V N 0.447 120.351 119.914 -0.017 0.000 2.343 100 V HA -0.212 3.908 4.120 0.000 0.000 0.247 100 V C 2.408 178.484 176.094 -0.029 0.000 1.051 100 V CA 1.815 64.109 62.300 -0.010 0.000 1.036 100 V CB -0.449 31.361 31.823 -0.020 0.000 0.654 100 V HN 0.236 nan 8.190 nan 0.000 0.451 101 K N -0.489 119.873 120.400 -0.063 0.000 2.057 101 K HA -0.212 4.108 4.320 0.000 0.000 0.207 101 K C 2.327 179.001 176.600 0.123 0.000 1.049 101 K CA 1.281 57.576 56.287 0.014 0.000 0.931 101 K CB -0.259 32.236 32.500 -0.008 0.000 0.714 101 K HN 0.342 nan 8.250 nan 0.000 0.440 102 Q N 1.517 121.354 119.800 0.062 0.000 2.050 102 Q HA -0.152 4.188 4.340 0.000 0.000 0.202 102 Q C 2.030 178.059 176.000 0.049 0.000 0.980 102 Q CA 1.617 57.456 55.803 0.060 0.000 0.840 102 Q CB 0.052 28.795 28.738 0.007 0.000 0.898 102 Q HN 0.284 nan 8.270 nan 0.000 0.424 103 R N -0.318 120.186 120.500 0.007 0.000 2.075 103 R HA -0.044 4.296 4.340 0.000 0.000 0.232 103 R C 2.383 178.652 176.300 -0.051 0.000 1.126 103 R CA 1.079 57.158 56.100 -0.035 0.000 0.963 103 R CB -0.396 29.890 30.300 -0.023 0.000 0.858 103 R HN 0.263 nan 8.270 nan 0.000 0.435 104 A N 0.418 123.222 122.820 -0.028 0.000 1.883 104 A HA -0.195 4.125 4.320 0.000 0.000 0.217 104 A C 1.841 179.361 177.584 -0.105 0.000 1.186 104 A CA 1.146 53.131 52.037 -0.086 0.000 0.624 104 A CB -0.911 18.021 19.000 -0.113 0.000 0.822 104 A HN 0.484 nan 8.150 nan 0.000 0.444 105 W N -0.388 120.848 121.300 -0.107 0.000 2.363 105 W HA -0.176 4.484 4.660 0.000 0.000 0.296 105 W C 2.609 179.029 176.519 -0.165 0.000 1.212 105 W CA 1.572 58.851 57.345 -0.110 0.000 1.260 105 W CB -0.012 29.395 29.460 -0.088 0.000 1.131 105 W HN 0.491 nan 8.180 nan 0.000 0.530 106 Q N -0.252 119.567 119.800 0.032 0.000 2.050 106 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 106 Q C 1.958 177.638 176.000 -0.533 0.000 0.980 106 Q CA 2.712 58.397 55.803 -0.198 0.000 0.840 106 Q CB -0.808 27.774 28.738 -0.259 0.000 0.898 106 Q HN 0.044 nan 8.270 nan 0.000 0.424 107 T N 0.669 114.928 114.554 -0.493 0.000 2.857 107 T HA -0.022 4.328 4.350 0.000 0.000 0.266 107 T C 1.681 176.266 174.700 -0.191 0.000 1.048 107 T CA 1.061 62.859 62.100 -0.504 0.000 1.139 107 T CB -0.191 68.495 68.868 -0.305 0.000 0.874 107 T HN 0.208 nan 8.240 nan 0.000 0.455 108 L N 0.511 121.646 121.223 -0.147 0.000 2.083 108 L HA -0.109 4.231 4.340 0.000 0.000 0.209 108 L C 2.607 179.493 176.870 0.027 0.000 1.083 108 L CA 1.367 56.143 54.840 -0.107 0.000 0.752 108 L CB -0.390 41.477 42.059 -0.321 0.000 0.899 108 L HN 0.210 nan 8.230 nan 0.000 0.433 109 K N -1.094 119.366 120.400 0.099 0.000 2.097 109 K HA -0.181 4.139 4.320 0.000 0.000 0.205 109 K C 1.967 178.738 176.600 0.284 0.000 1.050 109 K CA 1.299 57.695 56.287 0.183 0.000 0.938 109 K CB -0.183 32.435 32.500 0.195 0.000 0.718 109 K HN 0.257 nan 8.250 nan 0.000 0.442 110 W N 2.012 123.341 121.300 0.048 0.000 2.363 110 W HA -0.094 4.566 4.660 0.000 0.000 0.296 110 W C 2.008 178.547 176.519 0.034 0.000 1.212 110 W CA 0.612 57.978 57.345 0.035 0.000 1.260 110 W CB -0.884 28.594 29.460 0.029 0.000 1.131 110 W HN 0.207 nan 8.180 nan 0.000 0.530 111 Q N -0.220 119.735 119.800 0.258 0.000 2.079 111 Q HA -0.151 4.189 4.340 0.000 0.000 0.200 111 Q C 2.173 178.267 176.000 0.158 0.000 0.974 111 Q CA 1.634 57.539 55.803 0.170 0.000 0.840 111 Q CB -0.571 28.228 28.738 0.102 0.000 0.898 111 Q HN 0.283 nan 8.270 nan 0.000 0.430 112 I N 0.705 121.360 120.570 0.142 0.000 2.226 112 I HA -0.272 3.898 4.170 0.000 0.000 0.245 112 I C 2.396 178.594 176.117 0.134 0.000 1.100 112 I CA 0.990 62.370 61.300 0.134 0.000 1.374 112 I CB -0.412 37.647 38.000 0.099 0.000 1.057 112 I HN 0.152 nan 8.210 nan 0.000 0.413 113 A N 0.645 123.544 122.820 0.132 0.000 2.019 113 A HA -0.153 4.167 4.320 0.000 0.000 0.219 113 A C 1.620 179.269 177.584 0.108 0.000 1.164 113 A CA 1.571 53.670 52.037 0.104 0.000 0.644 113 A CB -0.494 18.560 19.000 0.090 0.000 0.805 113 A HN 0.428 nan 8.150 nan 0.000 0.449 114 N N -0.485 118.300 118.700 0.143 0.000 2.295 114 N HA 0.236 4.976 4.740 0.000 0.000 0.221 114 N C 0.953 176.633 175.510 0.283 0.000 1.129 114 N CA 0.794 53.947 53.050 0.172 0.000 0.836 114 N CB 0.234 38.804 38.487 0.139 0.000 1.040 114 N HN 0.558 nan 8.380 nan 0.000 0.494 115 G N 0.834 109.769 108.800 0.225 0.000 2.179 115 G HA2 -0.292 3.668 3.960 0.000 0.000 0.257 115 G HA3 -0.292 3.668 3.960 0.000 0.000 0.257 115 G C 0.006 175.056 174.900 0.250 0.000 1.010 115 G CA -0.087 45.141 45.100 0.214 0.000 0.736 115 G HN 0.397 nan 8.290 nan 0.000 0.513 116 I N 0.174 120.891 120.570 0.244 0.000 2.312 116 I HA 0.255 4.425 4.170 0.000 0.000 0.291 116 I C 1.230 177.422 176.117 0.125 0.000 1.031 116 I CA -0.195 61.240 61.300 0.226 0.000 1.293 116 I CB 1.389 39.505 38.000 0.194 0.000 1.403 116 I HN 0.136 nan 8.210 nan 0.000 0.484 117 Q N 4.387 124.232 119.800 0.075 0.000 2.217 117 Q HA 0.226 4.566 4.340 0.000 0.000 0.217 117 Q C -0.486 175.277 176.000 -0.396 0.000 0.844 117 Q CA 0.190 55.918 55.803 -0.124 0.000 0.957 117 Q CB 0.792 29.424 28.738 -0.176 0.000 1.127 117 Q HN 0.582 nan 8.270 nan 0.000 0.503 118 H N -0.139 118.987 119.070 0.094 0.000 2.840 118 H HA 0.434 4.990 4.556 0.000 0.000 0.340 118 H C -1.215 174.125 175.328 0.021 0.000 1.004 118 H CA -0.435 55.641 56.048 0.047 0.000 1.288 118 H CB 1.956 31.745 29.762 0.045 0.000 1.607 118 H HN -0.173 nan 8.280 nan 0.000 0.522 119 V N 3.372 123.329 119.914 0.073 0.000 2.760 119 V HA 0.354 4.474 4.120 0.000 0.000 0.309 119 V C -0.039 176.028 176.094 -0.045 0.000 1.077 119 V CA -0.895 61.413 62.300 0.012 0.000 0.910 119 V CB 2.963 34.772 31.823 -0.024 0.000 1.008 119 V HN 0.635 nan 8.190 nan 0.000 0.424 120 R N 2.084 122.536 120.500 -0.080 0.000 2.337 120 R HA 0.621 4.961 4.340 0.000 0.000 0.319 120 R C -0.697 175.458 176.300 -0.241 0.000 0.954 120 R CA -0.114 55.881 56.100 -0.176 0.000 0.840 120 R CB 1.545 31.723 30.300 -0.203 0.000 1.164 120 R HN 0.782 nan 8.270 nan 0.000 0.472 121 T N 3.051 117.442 114.554 -0.271 0.000 2.824 121 T HA 0.322 4.672 4.350 0.000 0.000 0.280 121 T C -0.647 173.800 174.700 -0.422 0.000 0.995 121 T CA -0.520 61.409 62.100 -0.285 0.000 1.009 121 T CB 0.557 69.318 68.868 -0.178 0.000 0.955 121 T HN 0.585 nan 8.240 nan 0.000 0.452 122 H N 2.513 121.282 119.070 -0.502 0.000 2.511 122 H HA 0.560 5.116 4.556 0.000 0.000 0.346 122 H C -0.521 174.682 175.328 -0.209 0.000 1.128 122 H CA -0.427 55.352 56.048 -0.447 0.000 1.342 122 H CB 1.635 30.891 29.762 -0.842 0.000 1.470 122 H HN 0.298 nan 8.280 nan 0.000 0.546 123 V N 2.572 122.523 119.914 0.061 0.000 2.623 123 V HA -0.027 4.093 4.120 0.000 0.000 0.304 123 V C -0.073 176.095 176.094 0.123 0.000 1.054 123 V CA -0.997 61.350 62.300 0.078 0.000 0.882 123 V CB 2.073 33.896 31.823 0.000 0.000 1.002 123 V HN 0.724 nan 8.190 nan 0.000 0.424 124 D N 3.402 123.855 120.400 0.089 0.000 2.412 124 D HA 0.076 4.716 4.640 0.000 0.000 0.257 124 D C 0.730 176.967 176.300 -0.106 0.000 1.217 124 D CA 0.306 54.261 54.000 -0.075 0.000 0.897 124 D CB 1.612 42.334 40.800 -0.129 0.000 1.132 124 D HN 0.506 nan 8.370 nan 0.000 0.493 125 V N 1.219 121.029 119.914 -0.173 0.000 3.121 125 V HA 0.278 4.398 4.120 0.000 0.000 0.344 125 V C 0.555 176.528 176.094 -0.202 0.000 1.390 125 V CA -0.434 61.784 62.300 -0.137 0.000 1.177 125 V CB 0.017 31.783 31.823 -0.095 0.000 1.163 125 V HN 0.316 nan 8.190 nan 0.000 0.484 126 S N 2.740 118.229 115.700 -0.352 0.000 3.548 126 S HA 0.429 4.899 4.470 0.000 0.000 0.195 126 S C -0.348 174.038 174.600 -0.356 0.000 1.432 126 S CA -0.036 57.789 58.200 -0.625 0.000 1.087 126 S CB -0.495 62.078 63.200 -1.046 0.000 1.337 126 S HN 0.805 nan 8.310 nan 0.000 0.505 127 D N 0.427 120.782 120.400 -0.076 0.000 2.591 127 D HA 0.383 5.023 4.640 0.000 0.000 0.222 127 D C 0.530 176.874 176.300 0.073 0.000 1.360 127 D CA -0.536 53.491 54.000 0.046 0.000 0.967 127 D CB 0.865 41.677 40.800 0.021 0.000 1.456 127 D HN 0.127 nan 8.370 nan 0.000 0.588 128 A N 2.521 125.409 122.820 0.113 0.000 2.024 128 A HA -0.137 4.183 4.320 0.000 0.000 0.220 128 A C 1.849 179.461 177.584 0.047 0.000 1.164 128 A CA 2.354 54.437 52.037 0.076 0.000 0.643 128 A CB -0.654 18.386 19.000 0.066 0.000 0.806 128 A HN 0.667 nan 8.150 nan 0.000 0.451 129 T N -3.198 111.385 114.554 0.048 0.000 3.088 129 T HA 0.232 4.582 4.350 0.000 0.000 0.259 129 T C 0.786 175.508 174.700 0.037 0.000 1.122 129 T CA 0.508 62.631 62.100 0.038 0.000 1.095 129 T CB -0.673 68.220 68.868 0.041 0.000 0.930 129 T HN 0.633 nan 8.240 nan 0.000 0.508 130 L N 1.458 122.701 121.223 0.034 0.000 3.742 130 L HA -0.252 4.088 4.340 0.000 0.000 0.431 130 L C 1.527 178.425 176.870 0.046 0.000 1.220 130 L CA 0.388 55.245 54.840 0.027 0.000 0.863 130 L CB -2.567 39.500 42.059 0.013 0.000 1.751 130 L HN 0.373 nan 8.230 nan 0.000 0.922 131 T N -0.634 113.956 114.554 0.061 0.000 2.652 131 T HA -0.230 4.120 4.350 0.000 0.000 0.267 131 T C 1.909 176.662 174.700 0.088 0.000 1.039 131 T CA 1.860 64.013 62.100 0.088 0.000 1.153 131 T CB -0.030 68.889 68.868 0.086 0.000 0.863 131 T HN 0.677 nan 8.240 nan 0.000 0.428 132 A N 0.968 123.829 122.820 0.069 0.000 1.930 132 A HA 0.020 4.340 4.320 0.000 0.000 0.217 132 A C 2.242 179.841 177.584 0.024 0.000 1.175 132 A CA 1.202 53.270 52.037 0.051 0.000 0.627 132 A CB -0.735 18.309 19.000 0.074 0.000 0.815 132 A HN 0.410 nan 8.150 nan 0.000 0.443 133 L N -0.077 121.160 121.223 0.024 0.000 2.017 133 L HA -0.128 4.212 4.340 0.000 0.000 0.208 133 L C 2.196 179.078 176.870 0.020 0.000 1.073 133 L CA 2.271 57.114 54.840 0.006 0.000 0.745 133 L CB -0.496 41.561 42.059 -0.004 0.000 0.894 133 L HN 0.326 nan 8.230 nan 0.000 0.432 134 K N -0.485 119.950 120.400 0.058 0.000 2.097 134 K HA -0.119 4.201 4.320 0.000 0.000 0.206 134 K C 2.075 178.759 176.600 0.139 0.000 1.049 134 K CA 1.304 57.654 56.287 0.105 0.000 0.933 134 K CB -0.394 32.189 32.500 0.139 0.000 0.717 134 K HN 0.504 nan 8.250 nan 0.000 0.442 135 A N 1.102 123.957 122.820 0.058 0.000 1.873 135 A HA -0.173 4.147 4.320 0.000 0.000 0.215 135 A C 2.115 179.640 177.584 -0.098 0.000 1.186 135 A CA 1.412 53.330 52.037 -0.198 0.000 0.616 135 A CB -0.373 18.427 19.000 -0.334 0.000 0.823 135 A HN 0.180 nan 8.150 nan 0.000 0.442 136 M N -0.294 119.271 119.600 -0.058 0.000 2.213 136 M HA 0.024 4.504 4.480 0.000 0.000 0.263 136 M C 1.776 178.045 176.300 -0.050 0.000 1.062 136 M CA 1.217 56.477 55.300 -0.066 0.000 1.105 136 M CB -0.660 31.902 32.600 -0.063 0.000 1.385 136 M HN 0.380 nan 8.290 nan 0.000 0.417 137 L N -0.898 120.314 121.223 -0.018 0.000 2.141 137 L HA -0.203 4.137 4.340 0.000 0.000 0.209 137 L C 2.130 179.009 176.870 0.016 0.000 1.094 137 L CA 1.202 56.039 54.840 -0.006 0.000 0.763 137 L CB -0.598 41.466 42.059 0.008 0.000 0.908 137 L HN 0.357 nan 8.230 nan 0.000 0.437 138 E N -0.583 119.643 120.200 0.042 0.000 2.076 138 E HA -0.147 4.203 4.350 0.000 0.000 0.190 138 E C 2.298 178.940 176.600 0.071 0.000 0.979 138 E CA 0.976 57.423 56.400 0.078 0.000 0.807 138 E CB -0.010 29.769 29.700 0.132 0.000 0.761 138 E HN 0.231 nan 8.360 nan 0.000 0.454 139 V N 2.149 122.073 119.914 0.016 0.000 2.332 139 V HA -0.308 3.812 4.120 0.000 0.000 0.248 139 V C 2.433 178.465 176.094 -0.103 0.000 1.055 139 V CA 1.982 64.248 62.300 -0.058 0.000 1.038 139 V CB -0.492 31.210 31.823 -0.202 0.000 0.651 139 V HN 0.237 nan 8.190 nan 0.000 0.450 140 K N -0.164 120.188 120.400 -0.081 0.000 2.063 140 K HA -0.275 4.045 4.320 0.000 0.000 0.208 140 K C 2.218 178.806 176.600 -0.020 0.000 1.048 140 K CA 2.023 58.266 56.287 -0.073 0.000 0.928 140 K CB -0.151 32.315 32.500 -0.058 0.000 0.713 140 K HN 0.564 nan 8.250 nan 0.000 0.442 141 Q N 0.133 119.946 119.800 0.022 0.000 2.079 141 Q HA -0.151 4.189 4.340 0.000 0.000 0.200 141 Q C 1.965 178.032 176.000 0.111 0.000 0.974 141 Q CA 1.660 57.494 55.803 0.052 0.000 0.840 141 Q CB 0.036 28.809 28.738 0.058 0.000 0.898 141 Q HN 0.454 nan 8.270 nan 0.000 0.430 142 E N 0.067 120.380 120.200 0.187 0.000 2.106 142 E HA -0.134 4.216 4.350 0.000 0.000 0.192 142 E C 1.829 178.754 176.600 0.540 0.000 0.984 142 E CA 1.034 57.663 56.400 0.381 0.000 0.806 142 E CB 0.062 30.103 29.700 0.567 0.000 0.750 142 E HN 0.075 nan 8.360 nan 0.000 0.458 143 V N 0.517 120.588 119.914 0.263 0.000 3.541 143 V HA 0.073 4.193 4.120 0.000 0.000 0.267 143 V C 1.879 178.112 176.094 0.233 0.000 1.213 143 V CA 0.899 63.340 62.300 0.236 0.000 1.149 143 V CB -0.137 31.443 31.823 -0.405 0.000 0.822 143 V HN 0.276 nan 8.190 nan 0.000 0.462 144 A N 1.257 124.128 122.820 0.085 0.000 1.958 144 A HA -0.165 4.155 4.320 0.000 0.000 0.221 144 A C 0.350 177.847 177.584 -0.145 0.000 1.178 144 A CA 2.342 54.364 52.037 -0.025 0.000 0.642 144 A CB -1.801 17.179 19.000 -0.033 0.000 0.816 144 A HN 0.604 nan 8.150 nan 0.000 0.453 145 P HA -0.101 nan 4.420 nan 0.000 0.222 145 P C 1.005 177.836 177.300 -0.781 0.000 1.147 145 P CA 0.915 63.557 63.100 -0.764 0.000 0.790 145 P CB 0.018 30.859 31.700 -1.432 0.000 0.780 146 W N -1.762 119.555 121.300 0.027 0.000 2.866 146 W HA 0.394 5.054 4.660 0.000 0.000 0.258 146 W C 0.598 177.087 176.519 -0.050 0.000 1.183 146 W CA 0.110 57.462 57.345 0.012 0.000 1.451 146 W CB 0.607 30.108 29.460 0.068 0.000 0.959 146 W HN -0.203 nan 8.180 nan 0.000 0.622 147 I N 1.396 122.041 120.570 0.125 0.000 2.569 147 I HA 0.101 4.271 4.170 0.000 0.000 0.290 147 I C -0.951 175.129 176.117 -0.062 0.000 1.088 147 I CA -0.595 60.697 61.300 -0.014 0.000 1.047 147 I CB 2.638 40.632 38.000 -0.011 0.000 1.237 147 I HN -0.401 nan 8.210 nan 0.000 0.421 148 D N 6.595 126.928 120.400 -0.112 0.000 2.380 148 D HA 0.271 4.911 4.640 0.000 0.000 0.230 148 D C -1.052 175.240 176.300 -0.014 0.000 1.154 148 D CA -0.234 53.745 54.000 -0.036 0.000 0.859 148 D CB 1.022 41.851 40.800 0.049 0.000 1.045 148 D HN 0.205 nan 8.370 nan 0.000 0.495 149 L N 3.781 124.978 121.223 -0.044 0.000 2.275 149 L HA 0.350 4.690 4.340 0.000 0.000 0.288 149 L C -0.379 176.448 176.870 -0.071 0.000 1.046 149 L CA -0.198 54.601 54.840 -0.068 0.000 0.805 149 L CB 1.276 43.269 42.059 -0.110 0.000 1.193 149 L HN 0.334 nan 8.230 nan 0.000 0.426 150 Q N 5.047 124.794 119.800 -0.087 0.000 2.256 150 Q HA 0.553 4.893 4.340 0.000 0.000 0.257 150 Q C -1.133 174.770 176.000 -0.161 0.000 0.936 150 Q CA -0.496 55.239 55.803 -0.113 0.000 0.903 150 Q CB 2.455 31.120 28.738 -0.123 0.000 1.263 150 Q HN 0.608 nan 8.270 nan 0.000 0.440 151 I N 2.287 122.763 120.570 -0.157 0.000 2.378 151 I HA 0.300 4.470 4.170 0.000 0.000 0.291 151 I C -0.669 175.324 176.117 -0.207 0.000 0.992 151 I CA -0.909 60.285 61.300 -0.177 0.000 1.154 151 I CB 1.755 39.681 38.000 -0.123 0.000 1.315 151 I HN 0.247 nan 8.210 nan 0.000 0.448 152 V N 5.702 125.442 119.914 -0.290 0.000 2.394 152 V HA 0.431 4.551 4.120 0.000 0.000 0.282 152 V C 0.589 176.614 176.094 -0.116 0.000 1.031 152 V CA -0.724 61.409 62.300 -0.279 0.000 0.881 152 V CB 1.477 32.948 31.823 -0.586 0.000 0.982 152 V HN 0.828 nan 8.190 nan 0.000 0.451 153 A N 5.675 128.456 122.820 -0.065 0.000 2.457 153 A HA 0.484 4.804 4.320 0.000 0.000 0.298 153 A C -0.593 177.041 177.584 0.082 0.000 1.288 153 A CA -0.048 51.978 52.037 -0.019 0.000 0.956 153 A CB -0.542 18.421 19.000 -0.063 0.000 1.135 153 A HN 0.699 nan 8.150 nan 0.000 0.535 154 F N 7.098 127.002 119.950 -0.076 0.000 2.334 154 F HA 0.487 5.014 4.527 0.000 0.000 0.367 154 F C -2.238 173.477 175.800 -0.141 0.000 1.115 154 F CA -3.298 54.662 58.000 -0.067 0.000 1.116 154 F CB 1.738 40.725 39.000 -0.023 0.000 1.230 154 F HN 0.360 nan 8.300 nan 0.000 0.484 155 P HA 0.019 nan 4.420 nan 0.000 0.231 155 P C 0.271 177.068 177.300 -0.839 0.000 1.811 155 P CA 0.089 62.897 63.100 -0.487 0.000 1.051 155 P CB 0.972 32.525 31.700 -0.244 0.000 1.951 156 Q N 2.531 121.541 119.800 -1.316 0.000 2.217 156 Q HA -0.212 4.128 4.340 0.000 0.000 0.209 156 Q C 1.233 176.764 176.000 -0.781 0.000 0.988 156 Q CA 1.956 56.910 55.803 -1.416 0.000 0.878 156 Q CB -0.300 27.763 28.738 -1.124 0.000 0.909 156 Q HN 0.288 nan 8.270 nan 0.000 0.424 157 E N -0.506 119.365 120.200 -0.548 0.000 2.463 157 E HA 0.287 4.637 4.350 0.000 0.000 0.193 157 E C 0.244 176.843 176.600 -0.001 0.000 1.041 157 E CA 0.614 56.920 56.400 -0.156 0.000 0.879 157 E CB 0.249 29.770 29.700 -0.298 0.000 0.997 157 E HN 0.399 nan 8.360 nan 0.000 0.478 158 G N 0.753 109.475 108.800 -0.129 0.000 2.629 158 G HA2 -0.195 3.765 3.960 0.000 0.000 0.686 158 G HA3 -0.195 3.765 3.960 0.000 0.000 0.686 158 G C 0.404 175.230 174.900 -0.124 0.000 1.232 158 G CA -0.449 44.590 45.100 -0.103 0.000 0.803 158 G HN 0.112 nan 8.290 nan 0.000 0.638 159 I N 0.257 120.756 120.570 -0.118 0.000 2.556 159 I HA 0.127 4.297 4.170 0.000 0.000 0.251 159 I C 2.462 178.501 176.117 -0.128 0.000 1.105 159 I CA 0.716 61.958 61.300 -0.097 0.000 1.436 159 I CB -0.141 37.813 38.000 -0.075 0.000 1.139 159 I HN 0.408 nan 8.210 nan 0.000 0.438 160 L N -0.492 120.601 121.223 -0.216 0.000 2.477 160 L HA 0.096 4.436 4.340 0.000 0.000 0.220 160 L C 1.770 178.395 176.870 -0.409 0.000 1.106 160 L CA 0.411 55.026 54.840 -0.374 0.000 0.851 160 L CB -0.064 41.606 42.059 -0.649 0.000 0.994 160 L HN 0.068 nan 8.230 nan 0.000 0.462 161 S N -1.256 114.214 115.700 -0.384 0.000 2.577 161 S HA 0.097 4.567 4.470 0.000 0.000 0.219 161 S C -0.232 174.153 174.600 -0.358 0.000 0.962 161 S CA -0.119 57.673 58.200 -0.680 0.000 0.921 161 S CB -0.095 62.378 63.200 -1.211 0.000 0.789 161 S HN 0.270 nan 8.310 nan 0.000 0.497 162 Y N 1.860 122.002 120.300 -0.264 0.000 2.462 162 Y HA 0.446 4.996 4.550 0.000 0.000 0.346 162 Y C -3.051 172.793 175.900 -0.094 0.000 0.976 162 Y CA -2.600 55.418 58.100 -0.138 0.000 1.044 162 Y CB 1.240 39.628 38.460 -0.120 0.000 1.230 162 Y HN -0.081 nan 8.280 nan 0.000 0.455 163 P HA 0.046 nan 4.420 nan 0.000 0.262 163 P C -0.770 176.420 177.300 -0.183 0.000 1.199 163 P CA 0.845 63.736 63.100 -0.348 0.000 0.763 163 P CB 0.289 31.736 31.700 -0.422 0.000 0.790 164 N N 1.779 120.435 118.700 -0.073 0.000 2.714 164 N HA -0.167 4.573 4.740 0.000 0.000 0.250 164 N C 1.364 176.904 175.510 0.049 0.000 1.117 164 N CA 1.251 54.294 53.050 -0.012 0.000 0.719 164 N CB -1.612 36.870 38.487 -0.008 0.000 1.081 164 N HN 0.641 nan 8.380 nan 0.000 0.557 165 G N 0.655 109.502 108.800 0.078 0.000 2.446 165 G HA2 -0.303 3.657 3.960 0.000 0.000 0.217 165 G HA3 -0.303 3.657 3.960 0.000 0.000 0.217 165 G C 1.218 176.124 174.900 0.010 0.000 1.168 165 G CA 1.375 46.532 45.100 0.094 0.000 0.771 165 G HN 0.587 nan 8.290 nan 0.000 0.551 166 E N 0.326 120.518 120.200 -0.013 0.000 2.072 166 E HA 0.013 4.363 4.350 0.000 0.000 0.191 166 E C 2.809 179.406 176.600 -0.006 0.000 0.985 166 E CA 0.861 57.252 56.400 -0.016 0.000 0.801 166 E CB -0.223 29.466 29.700 -0.019 0.000 0.750 166 E HN 0.343 nan 8.360 nan 0.000 0.452 167 A N 0.956 123.776 122.820 -0.000 0.000 1.902 167 A HA -0.152 4.168 4.320 0.000 0.000 0.217 167 A C 2.167 179.748 177.584 -0.004 0.000 1.181 167 A CA 1.079 53.118 52.037 0.003 0.000 0.623 167 A CB -0.608 18.394 19.000 0.005 0.000 0.818 167 A HN 0.301 nan 8.150 nan 0.000 0.443 168 L N -1.169 120.055 121.223 0.003 0.000 2.093 168 L HA -0.137 4.203 4.340 0.000 0.000 0.208 168 L C 2.520 179.367 176.870 -0.039 0.000 1.085 168 L CA 0.913 55.749 54.840 -0.006 0.000 0.755 168 L CB -0.447 41.624 42.059 0.020 0.000 0.904 168 L HN 0.454 nan 8.230 nan 0.000 0.435 169 L N 0.233 121.429 121.223 -0.044 0.000 2.046 169 L HA -0.230 4.110 4.340 0.000 0.000 0.208 169 L C 2.438 179.254 176.870 -0.091 0.000 1.077 169 L CA 1.878 56.679 54.840 -0.065 0.000 0.747 169 L CB -0.500 41.528 42.059 -0.052 0.000 0.896 169 L HN 0.264 nan 8.230 nan 0.000 0.432 170 E N -0.787 119.369 120.200 -0.074 0.000 2.106 170 E HA -0.279 4.071 4.350 0.000 0.000 0.192 170 E C 2.119 178.620 176.600 -0.165 0.000 0.984 170 E CA 1.146 57.474 56.400 -0.120 0.000 0.806 170 E CB -0.140 29.554 29.700 -0.010 0.000 0.750 170 E HN 0.664 nan 8.360 nan 0.000 0.458 171 E N -0.059 120.087 120.200 -0.090 0.000 2.077 171 E HA -0.228 4.122 4.350 0.000 0.000 0.193 171 E C 1.905 178.442 176.600 -0.106 0.000 0.989 171 E CA 1.060 57.414 56.400 -0.076 0.000 0.800 171 E CB -0.154 29.524 29.700 -0.036 0.000 0.746 171 E HN 0.342 nan 8.360 nan 0.000 0.452 172 A N 0.952 123.707 122.820 -0.108 0.000 1.933 172 A HA -0.154 4.166 4.320 0.000 0.000 0.218 172 A C 2.178 179.667 177.584 -0.159 0.000 1.175 172 A CA 1.177 53.150 52.037 -0.107 0.000 0.628 172 A CB -0.576 18.370 19.000 -0.091 0.000 0.814 172 A HN 0.312 nan 8.150 nan 0.000 0.444 173 L N -1.333 119.737 121.223 -0.255 0.000 2.056 173 L HA -0.128 4.212 4.340 0.000 0.000 0.207 173 L C 2.761 179.399 176.870 -0.387 0.000 1.078 173 L CA 1.194 55.805 54.840 -0.382 0.000 0.749 173 L CB -0.489 41.175 42.059 -0.659 0.000 0.901 173 L HN 0.330 nan 8.230 nan 0.000 0.433 174 R N 0.098 120.381 120.500 -0.361 0.000 2.193 174 R HA -0.080 4.260 4.340 0.000 0.000 0.229 174 R C 2.047 178.298 176.300 -0.082 0.000 1.110 174 R CA 0.938 56.934 56.100 -0.174 0.000 0.988 174 R CB -0.199 30.054 30.300 -0.079 0.000 0.871 174 R HN 0.364 nan 8.270 nan 0.000 0.458 175 L N -0.997 120.172 121.223 -0.090 0.000 2.554 175 L HA 0.127 4.467 4.340 0.000 0.000 0.226 175 L C 1.174 178.016 176.870 -0.048 0.000 1.137 175 L CA 0.590 55.400 54.840 -0.050 0.000 0.863 175 L CB 0.404 42.438 42.059 -0.041 0.000 0.985 175 L HN 0.469 nan 8.230 nan 0.000 0.451 176 G N -0.765 107.991 108.800 -0.072 0.000 2.227 176 G HA2 -0.151 3.809 3.960 0.000 0.000 0.168 176 G HA3 -0.151 3.809 3.960 0.000 0.000 0.168 176 G C 0.359 175.216 174.900 -0.072 0.000 1.006 176 G CA -0.262 44.804 45.100 -0.057 0.000 0.684 176 G HN 0.360 nan 8.290 nan 0.000 0.489 177 A N 0.593 123.355 122.820 -0.096 0.000 2.540 177 A HA 0.468 4.788 4.320 0.000 0.000 0.239 177 A C 1.220 178.743 177.584 -0.101 0.000 1.061 177 A CA 1.033 53.010 52.037 -0.101 0.000 0.758 177 A CB 0.249 19.182 19.000 -0.112 0.000 0.991 177 A HN 0.261 nan 8.150 nan 0.000 0.502 178 D N 0.614 120.954 120.400 -0.101 0.000 2.249 178 D HA 0.060 4.700 4.640 0.000 0.000 0.205 178 D C 0.146 176.383 176.300 -0.105 0.000 0.962 178 D CA 1.210 55.155 54.000 -0.092 0.000 0.860 178 D CB 0.158 40.901 40.800 -0.094 0.000 0.955 178 D HN 0.278 nan 8.370 nan 0.000 0.505 179 V N 1.252 121.088 119.914 -0.131 0.000 2.789 179 V HA 0.264 4.384 4.120 0.000 0.000 0.311 179 V C -0.008 176.011 176.094 -0.124 0.000 1.073 179 V CA -0.993 61.223 62.300 -0.140 0.000 0.921 179 V CB 2.754 34.462 31.823 -0.190 0.000 1.009 179 V HN -0.261 nan 8.190 nan 0.000 0.426 180 V N 2.786 122.632 119.914 -0.114 0.000 2.407 180 V HA 0.750 4.870 4.120 0.000 0.000 0.278 180 V C 0.842 176.906 176.094 -0.051 0.000 1.037 180 V CA 0.080 62.328 62.300 -0.087 0.000 0.900 180 V CB 1.078 32.841 31.823 -0.099 0.000 0.983 180 V HN 1.030 nan 8.190 nan 0.000 0.459 181 G N 2.583 111.399 108.800 0.025 0.000 2.552 181 G HA2 0.904 4.864 3.960 0.000 0.000 0.324 181 G HA3 0.904 4.864 3.960 0.000 0.000 0.324 181 G C -0.666 174.316 174.900 0.137 0.000 1.217 181 G CA -0.127 45.058 45.100 0.142 0.000 0.989 181 G HN 1.251 nan 8.290 nan 0.000 0.490 182 A N -0.992 121.959 122.820 0.219 0.000 2.540 182 A HA 0.707 5.027 4.320 0.000 0.000 0.291 182 A C -1.376 176.341 177.584 0.220 0.000 1.083 182 A CA -0.410 51.713 52.037 0.142 0.000 0.650 182 A CB 0.977 20.029 19.000 0.087 0.000 1.292 182 A HN 1.460 nan 8.150 nan 0.000 0.435 183 I N 1.129 121.759 120.570 0.101 0.000 2.850 183 I HA 0.280 4.450 4.170 0.000 0.000 0.282 183 I C -2.043 174.026 176.117 -0.080 0.000 1.629 183 I CA -1.632 59.728 61.300 0.100 0.000 0.792 183 I CB 1.966 39.998 38.000 0.052 0.000 1.776 183 I HN 0.462 nan 8.210 nan 0.000 0.578 184 P HA -0.240 nan 4.420 nan 0.000 0.216 184 P C 1.335 178.256 177.300 -0.631 0.000 1.150 184 P CA 1.586 64.349 63.100 -0.562 0.000 0.843 184 P CB -0.322 30.804 31.700 -0.957 0.000 0.787 185 H N -2.159 116.793 119.070 -0.196 0.000 2.546 185 H HA 0.004 4.560 4.556 0.000 0.000 0.277 185 H C 1.392 176.848 175.328 0.213 0.000 1.004 185 H CA 0.361 56.522 56.048 0.188 0.000 1.231 185 H CB -0.929 29.046 29.762 0.356 0.000 1.382 185 H HN 0.099 nan 8.280 nan 0.000 0.580 186 F N 2.266 121.875 119.950 -0.568 0.000 2.754 186 F HA 0.181 4.708 4.527 0.000 0.000 0.297 186 F C 0.721 176.432 175.800 -0.147 0.000 1.122 186 F CA -0.511 57.280 58.000 -0.348 0.000 1.400 186 F CB 0.214 38.957 39.000 -0.428 0.000 1.117 186 F HN -0.063 nan 8.300 nan 0.000 0.587 187 E N 0.302 120.422 120.200 -0.133 0.000 2.408 187 E HA -0.068 4.282 4.350 0.000 0.000 0.259 187 E C 1.123 177.723 176.600 0.001 0.000 1.110 187 E CA -0.062 56.267 56.400 -0.119 0.000 0.929 187 E CB 0.261 29.954 29.700 -0.012 0.000 0.971 187 E HN 0.091 nan 8.360 nan 0.000 0.438 188 F N 0.321 120.269 119.950 -0.004 0.000 2.161 188 F HA -0.148 4.379 4.527 0.000 0.000 0.300 188 F C 1.767 177.473 175.800 -0.157 0.000 1.089 188 F CA 1.162 59.097 58.000 -0.107 0.000 1.282 188 F CB -0.771 38.170 39.000 -0.098 0.000 1.010 188 F HN 0.326 nan 8.300 nan 0.000 0.485 189 T N -3.934 110.620 114.554 0.001 0.000 2.883 189 T HA 0.380 4.730 4.350 0.000 0.000 0.296 189 T C 0.879 175.646 174.700 0.111 0.000 1.117 189 T CA -0.905 61.170 62.100 -0.041 0.000 1.006 189 T CB 2.501 71.220 68.868 -0.248 0.000 1.191 189 T HN 0.023 nan 8.240 nan 0.000 0.508 190 R N 0.175 120.777 120.500 0.170 0.000 2.105 190 R HA -0.132 4.208 4.340 0.000 0.000 0.239 190 R C 1.635 178.127 176.300 0.320 0.000 1.135 190 R CA 1.952 58.254 56.100 0.337 0.000 0.967 190 R CB -0.292 30.116 30.300 0.181 0.000 0.861 190 R HN 0.760 nan 8.270 nan 0.000 0.442 191 E N -0.498 119.810 120.200 0.181 0.000 2.077 191 E HA -0.179 4.171 4.350 0.000 0.000 0.193 191 E C 1.717 178.500 176.600 0.305 0.000 0.989 191 E CA 1.219 57.740 56.400 0.201 0.000 0.800 191 E CB -0.324 29.452 29.700 0.128 0.000 0.746 191 E HN 0.370 nan 8.360 nan 0.000 0.452 192 Y N 0.424 120.783 120.300 0.098 0.000 2.224 192 Y HA -0.027 4.523 4.550 0.000 0.000 0.289 192 Y C 2.407 178.312 175.900 0.009 0.000 1.146 192 Y CA 1.075 59.201 58.100 0.043 0.000 1.182 192 Y CB -1.150 37.314 38.460 0.006 0.000 0.983 192 Y HN 0.122 nan 8.280 nan 0.000 0.524 193 G N -0.490 108.408 108.800 0.163 0.000 2.433 193 G HA2 -0.210 3.750 3.960 0.000 0.000 0.216 193 G HA3 -0.210 3.750 3.960 0.000 0.000 0.216 193 G C 1.932 176.844 174.900 0.020 0.000 1.186 193 G CA 1.463 46.459 45.100 -0.173 0.000 0.779 193 G HN 0.281 nan 8.290 nan 0.000 0.543 194 V N 0.727 120.830 119.914 0.316 0.000 2.343 194 V HA -0.164 3.956 4.120 0.000 0.000 0.247 194 V C 2.590 178.869 176.094 0.309 0.000 1.051 194 V CA 2.259 64.765 62.300 0.343 0.000 1.036 194 V CB -0.389 31.640 31.823 0.344 0.000 0.654 194 V HN 0.584 nan 8.190 nan 0.000 0.451 195 E N 0.700 121.058 120.200 0.264 0.000 2.110 195 E HA -0.234 4.116 4.350 0.000 0.000 0.193 195 E C 2.346 179.054 176.600 0.180 0.000 0.988 195 E CA 1.556 58.093 56.400 0.229 0.000 0.804 195 E CB -0.142 29.643 29.700 0.141 0.000 0.745 195 E HN 0.734 nan 8.360 nan 0.000 0.458 196 S N 0.399 116.163 115.700 0.106 0.000 2.400 196 S HA -0.154 4.316 4.470 0.000 0.000 0.232 196 S C 2.040 176.703 174.600 0.106 0.000 1.025 196 S CA 0.959 59.193 58.200 0.056 0.000 0.993 196 S CB -0.490 62.703 63.200 -0.012 0.000 0.808 196 S HN 0.322 nan 8.310 nan 0.000 0.478 197 L N 0.444 121.749 121.223 0.136 0.000 2.109 197 L HA -0.032 4.308 4.340 0.000 0.000 0.207 197 L C 3.013 180.011 176.870 0.213 0.000 1.086 197 L CA 1.323 56.274 54.840 0.185 0.000 0.760 197 L CB -0.757 41.394 42.059 0.153 0.000 0.910 197 L HN 0.412 nan 8.230 nan 0.000 0.437 198 H N 0.663 119.833 119.070 0.167 0.000 2.353 198 H HA -0.130 4.426 4.556 0.000 0.000 0.300 198 H C 2.185 177.613 175.328 0.167 0.000 1.090 198 H CA 1.382 57.515 56.048 0.142 0.000 1.327 198 H CB 0.144 29.950 29.762 0.074 0.000 1.383 198 H HN 0.318 nan 8.280 nan 0.000 0.508 199 K N -0.119 120.422 120.400 0.236 0.000 2.097 199 K HA -0.082 4.238 4.320 0.000 0.000 0.206 199 K C 2.242 178.925 176.600 0.138 0.000 1.049 199 K CA 1.490 57.869 56.287 0.153 0.000 0.933 199 K CB -0.003 32.551 32.500 0.090 0.000 0.717 199 K HN 0.144 nan 8.250 nan 0.000 0.442 200 T N 0.878 115.515 114.554 0.139 0.000 2.708 200 T HA -0.109 4.241 4.350 0.000 0.000 0.266 200 T C 1.576 176.294 174.700 0.030 0.000 1.037 200 T CA 1.305 63.443 62.100 0.064 0.000 1.146 200 T CB -0.307 68.585 68.868 0.041 0.000 0.865 200 T HN 0.100 nan 8.240 nan 0.000 0.435 201 F N 1.435 121.408 119.950 0.038 0.000 2.186 201 F HA 0.021 4.548 4.527 -0.000 0.000 0.299 201 F C 2.621 178.458 175.800 0.061 0.000 1.090 201 F CA 0.819 58.843 58.000 0.040 0.000 1.307 201 F CB -0.499 38.515 39.000 0.023 0.000 1.019 201 F HN 0.119 nan 8.300 nan 0.000 0.489 202 A N 0.060 123.026 122.820 0.243 0.000 1.902 202 A HA -0.146 4.174 4.320 0.000 0.000 0.217 202 A C 2.194 179.856 177.584 0.129 0.000 1.181 202 A CA 1.411 53.549 52.037 0.169 0.000 0.623 202 A CB -1.021 18.069 19.000 0.149 0.000 0.818 202 A HN 0.392 nan 8.150 nan 0.000 0.443 203 L N -0.919 120.383 121.223 0.131 0.000 2.093 203 L HA -0.160 4.180 4.340 0.000 0.000 0.208 203 L C 3.085 180.063 176.870 0.179 0.000 1.085 203 L CA 0.953 55.901 54.840 0.181 0.000 0.755 203 L CB -0.476 41.661 42.059 0.130 0.000 0.904 203 L HN 0.437 nan 8.230 nan 0.000 0.435 204 A N -0.815 122.042 122.820 0.061 0.000 1.933 204 A HA -0.206 4.114 4.320 0.000 0.000 0.218 204 A C 2.241 179.852 177.584 0.045 0.000 1.175 204 A CA 1.283 53.327 52.037 0.011 0.000 0.628 204 A CB -0.289 18.630 19.000 -0.134 0.000 0.814 204 A HN 0.384 nan 8.150 nan 0.000 0.444 205 Q N -0.468 119.368 119.800 0.059 0.000 2.187 205 Q HA -0.100 4.240 4.340 0.000 0.000 0.199 205 Q C 2.029 178.031 176.000 0.005 0.000 0.957 205 Q CA 1.560 57.390 55.803 0.045 0.000 0.857 205 Q CB -0.300 28.481 28.738 0.073 0.000 0.929 205 Q HN 0.821 nan 8.270 nan 0.000 0.453 206 K N -0.131 120.264 120.400 -0.009 0.000 2.057 206 K HA -0.142 4.178 4.320 0.000 0.000 0.207 206 K C 1.005 177.406 176.600 -0.332 0.000 1.049 206 K CA 1.186 57.370 56.287 -0.172 0.000 0.931 206 K CB 0.057 32.433 32.500 -0.207 0.000 0.714 206 K HN 0.137 nan 8.250 nan 0.000 0.440 207 Y N 0.268 120.562 120.300 -0.010 0.000 2.458 207 Y HA 0.112 4.662 4.550 0.000 0.000 0.256 207 Y C -0.274 175.612 175.900 -0.023 0.000 1.159 207 Y CA -0.033 58.057 58.100 -0.017 0.000 1.261 207 Y CB 0.592 39.039 38.460 -0.022 0.000 1.119 207 Y HN 0.170 nan 8.280 nan 0.000 0.524 208 D N 1.339 121.783 120.400 0.074 0.000 2.828 208 D HA -0.184 4.456 4.640 0.000 0.000 0.241 208 D C -0.685 175.634 176.300 0.032 0.000 1.142 208 D CA 0.383 54.403 54.000 0.034 0.000 0.755 208 D CB -0.362 40.447 40.800 0.016 0.000 1.014 208 D HN 0.123 nan 8.370 nan 0.000 0.420 209 R N 0.196 120.711 120.500 0.024 0.000 2.919 209 R HA 0.660 5.000 4.340 0.000 0.000 0.260 209 R C 0.526 176.789 176.300 -0.061 0.000 1.067 209 R CA -0.934 55.157 56.100 -0.016 0.000 1.003 209 R CB 0.583 30.872 30.300 -0.017 0.000 1.192 209 R HN 0.140 nan 8.270 nan 0.000 0.488 210 L N 0.906 122.077 121.223 -0.086 0.000 2.479 210 L HA 0.523 4.863 4.340 0.000 0.000 0.249 210 L C 0.349 177.125 176.870 -0.157 0.000 1.178 210 L CA -0.526 54.244 54.840 -0.117 0.000 0.811 210 L CB 0.345 42.335 42.059 -0.115 0.000 1.187 210 L HN 0.317 nan 8.230 nan 0.000 0.480 211 I N 0.297 120.752 120.570 -0.191 0.000 2.545 211 I HA 0.316 4.486 4.170 0.000 0.000 0.292 211 I C -1.153 174.865 176.117 -0.165 0.000 1.040 211 I CA -0.320 60.842 61.300 -0.229 0.000 1.068 211 I CB 2.233 39.977 38.000 -0.425 0.000 1.251 211 I HN 0.490 nan 8.210 nan 0.000 0.424 212 D N 5.770 126.105 120.400 -0.108 0.000 2.375 212 D HA 0.279 4.919 4.640 0.000 0.000 0.241 212 D C -1.373 174.963 176.300 0.059 0.000 1.361 212 D CA -0.151 53.821 54.000 -0.046 0.000 0.995 212 D CB 2.059 42.818 40.800 -0.068 0.000 1.312 212 D HN 0.074 nan 8.370 nan 0.000 0.576 213 V N 3.797 123.742 119.914 0.053 0.000 2.439 213 V HA 0.219 4.339 4.120 0.000 0.000 0.282 213 V C 0.169 176.362 176.094 0.165 0.000 1.039 213 V CA -0.567 61.818 62.300 0.142 0.000 0.913 213 V CB 1.198 33.104 31.823 0.139 0.000 0.983 213 V HN 0.477 nan 8.190 nan 0.000 0.460 214 H N 2.574 121.733 119.070 0.148 0.000 3.089 214 H HA 0.257 4.813 4.556 0.000 0.000 0.262 214 H C -0.069 175.440 175.328 0.302 0.000 1.160 214 H CA 0.191 56.368 56.048 0.217 0.000 1.482 214 H CB 0.364 30.260 29.762 0.224 0.000 1.511 214 H HN 0.686 nan 8.280 nan 0.000 0.483 215 C N 4.730 124.221 119.300 0.319 0.000 2.281 215 C HA 0.155 4.615 4.460 0.000 0.000 0.323 215 C C -0.358 174.807 174.990 0.293 0.000 1.270 215 C CA -0.742 58.477 59.018 0.334 0.000 1.559 215 C CB -0.838 27.063 27.740 0.269 0.000 2.239 215 C HN 0.960 nan 8.230 nan 0.000 0.488 216 D N 3.286 123.885 120.400 0.332 0.000 2.689 216 D HA -0.195 4.445 4.640 0.000 0.000 0.237 216 D C 0.210 176.418 176.300 -0.153 0.000 1.148 216 D CA 1.029 55.116 54.000 0.146 0.000 0.656 216 D CB -0.660 40.296 40.800 0.261 0.000 1.050 216 D HN 0.874 nan 8.370 nan 0.000 0.426 217 E N 0.661 120.550 120.200 -0.519 0.000 1.892 217 E HA 0.394 4.744 4.350 0.000 0.000 0.271 217 E C -0.025 176.294 176.600 -0.468 0.000 1.146 217 E CA -0.101 56.043 56.400 -0.426 0.000 1.096 217 E CB 0.097 29.556 29.700 -0.401 0.000 1.155 217 E HN 0.468 nan 8.360 nan 0.000 0.458 218 I N 1.453 121.874 120.570 -0.248 0.000 2.771 218 I HA 0.073 4.243 4.170 0.000 0.000 0.291 218 I C -1.378 174.731 176.117 -0.014 0.000 1.527 218 I CA -0.736 60.508 61.300 -0.093 0.000 1.024 218 I CB 1.966 39.933 38.000 -0.056 0.000 1.388 218 I HN 0.040 nan 8.210 nan 0.000 0.447 219 D N 5.104 125.524 120.400 0.034 0.000 2.934 219 D HA 0.148 4.788 4.640 0.000 0.000 0.237 219 D C -0.857 175.471 176.300 0.048 0.000 1.158 219 D CA 0.519 54.552 54.000 0.054 0.000 0.971 219 D CB -0.090 40.768 40.800 0.097 0.000 1.123 219 D HN 0.317 nan 8.370 nan 0.000 0.467 220 D N 1.193 121.626 120.400 0.056 0.000 2.471 220 D HA -0.015 4.625 4.640 0.000 0.000 0.245 220 D C 1.335 177.704 176.300 0.116 0.000 1.116 220 D CA -0.511 53.527 54.000 0.063 0.000 0.853 220 D CB 1.156 41.994 40.800 0.063 0.000 1.123 220 D HN -0.030 nan 8.370 nan 0.000 0.540 221 E N 3.028 123.295 120.200 0.112 0.000 2.401 221 E HA -0.214 4.136 4.350 0.000 0.000 0.199 221 E C 0.346 176.992 176.600 0.076 0.000 1.023 221 E CA 1.053 57.562 56.400 0.181 0.000 0.859 221 E CB 0.004 29.774 29.700 0.116 0.000 0.780 221 E HN 0.650 nan 8.360 nan 0.000 0.523 222 Q N 0.350 120.154 119.800 0.007 0.000 2.319 222 Q HA 0.147 4.487 4.340 0.000 0.000 0.202 222 Q C 0.221 176.150 176.000 -0.119 0.000 0.896 222 Q CA -0.055 55.685 55.803 -0.105 0.000 0.942 222 Q CB 0.640 29.325 28.738 -0.088 0.000 1.083 222 Q HN -0.003 nan 8.270 nan 0.000 0.510 223 S N 1.014 116.725 115.700 0.019 0.000 2.411 223 S HA 0.238 4.708 4.470 0.000 0.000 0.304 223 S C 0.127 174.755 174.600 0.048 0.000 1.098 223 S CA -0.329 57.876 58.200 0.009 0.000 1.068 223 S CB 0.037 63.352 63.200 0.193 0.000 1.032 223 S HN 0.232 nan 8.310 nan 0.000 0.511 224 R N 3.633 123.976 120.500 -0.262 0.000 2.748 224 R HA 0.213 4.553 4.340 0.000 0.000 0.395 224 R C 0.046 176.294 176.300 -0.087 0.000 1.128 224 R CA -0.084 55.959 56.100 -0.095 0.000 1.042 224 R CB 0.059 30.191 30.300 -0.281 0.000 1.392 224 R HN 0.585 nan 8.270 nan 0.000 0.582 225 F N -0.518 119.561 119.950 0.214 0.000 2.365 225 F HA -0.183 4.344 4.527 0.000 0.000 0.300 225 F C 2.321 178.243 175.800 0.204 0.000 1.090 225 F CA 0.742 58.858 58.000 0.194 0.000 1.408 225 F CB 0.014 39.140 39.000 0.210 0.000 1.060 225 F HN 0.024 nan 8.300 nan 0.000 0.534 226 V N 1.427 121.569 119.914 0.381 0.000 2.469 226 V HA -0.292 3.828 4.120 0.000 0.000 0.251 226 V C 2.259 178.513 176.094 0.267 0.000 1.064 226 V CA 2.546 65.050 62.300 0.341 0.000 1.066 226 V CB -0.477 31.594 31.823 0.413 0.000 0.667 226 V HN 0.578 nan 8.190 nan 0.000 0.461 227 E N -1.227 119.116 120.200 0.238 0.000 2.150 227 E HA -0.188 4.162 4.350 0.000 0.000 0.193 227 E C 1.986 178.651 176.600 0.110 0.000 0.985 227 E CA 1.705 58.205 56.400 0.167 0.000 0.814 227 E CB -0.619 29.183 29.700 0.170 0.000 0.752 227 E HN 0.556 nan 8.360 nan 0.000 0.466 228 T N 0.816 115.445 114.554 0.126 0.000 2.857 228 T HA -0.046 4.304 4.350 0.000 0.000 0.266 228 T C 2.003 176.697 174.700 -0.010 0.000 1.048 228 T CA 1.066 63.196 62.100 0.050 0.000 1.139 228 T CB -0.067 68.867 68.868 0.110 0.000 0.874 228 T HN 0.036 nan 8.240 nan 0.000 0.455 229 V N 1.868 121.856 119.914 0.123 0.000 2.287 229 V HA -0.192 3.928 4.120 0.000 0.000 0.248 229 V C 2.882 179.045 176.094 0.115 0.000 1.053 229 V CA 1.884 64.298 62.300 0.191 0.000 1.027 229 V CB -1.158 30.810 31.823 0.241 0.000 0.646 229 V HN 0.520 nan 8.190 nan 0.000 0.447 230 A N -0.228 122.652 122.820 0.100 0.000 1.898 230 A HA -0.043 4.277 4.320 0.000 0.000 0.216 230 A C 2.410 180.024 177.584 0.050 0.000 1.181 230 A CA 1.943 54.033 52.037 0.089 0.000 0.620 230 A CB -0.750 18.316 19.000 0.111 0.000 0.819 230 A HN 0.563 nan 8.150 nan 0.000 0.442 231 A N -0.219 122.601 122.820 -0.001 0.000 1.902 231 A HA -0.024 4.296 4.320 0.000 0.000 0.217 231 A C 2.160 179.707 177.584 -0.061 0.000 1.181 231 A CA 1.456 53.484 52.037 -0.016 0.000 0.623 231 A CB -0.590 18.387 19.000 -0.037 0.000 0.818 231 A HN 0.461 nan 8.150 nan 0.000 0.443 232 L N -0.882 120.162 121.223 -0.299 0.000 2.093 232 L HA -0.175 4.165 4.340 0.000 0.000 0.208 232 L C 3.085 179.737 176.870 -0.363 0.000 1.085 232 L CA 0.943 55.439 54.840 -0.574 0.000 0.755 232 L CB -0.529 40.654 42.059 -1.460 0.000 0.904 232 L HN 0.455 nan 8.230 nan 0.000 0.435 233 A N -0.965 121.764 122.820 -0.151 0.000 1.902 233 A HA -0.270 4.050 4.320 0.000 0.000 0.217 233 A C 2.288 179.947 177.584 0.125 0.000 1.181 233 A CA 1.565 53.717 52.037 0.192 0.000 0.623 233 A CB -0.870 18.279 19.000 0.248 0.000 0.818 233 A HN 0.471 nan 8.150 nan 0.000 0.443 234 H N -1.339 117.750 119.070 0.032 0.000 2.353 234 H HA -0.204 4.352 4.556 0.000 0.000 0.300 234 H C 2.077 177.431 175.328 0.044 0.000 1.090 234 H CA 2.206 58.275 56.048 0.035 0.000 1.327 234 H CB -0.276 29.505 29.762 0.031 0.000 1.383 234 H HN 0.722 nan 8.280 nan 0.000 0.508 235 H N 0.669 119.774 119.070 0.057 0.000 2.353 235 H HA -0.062 4.494 4.556 -0.000 0.000 0.300 235 H C 1.786 177.097 175.328 -0.028 0.000 1.090 235 H CA 1.879 57.936 56.048 0.015 0.000 1.327 235 H CB 0.237 30.000 29.762 0.001 0.000 1.383 235 H HN 0.315 nan 8.280 nan 0.000 0.508 236 E N -0.223 119.956 120.200 -0.035 0.000 2.489 236 E HA 0.089 4.439 4.350 0.000 0.000 0.193 236 E C 0.973 177.534 176.600 -0.064 0.000 1.057 236 E CA 0.624 56.994 56.400 -0.049 0.000 0.866 236 E CB 0.054 29.824 29.700 0.116 0.000 0.916 236 E HN 0.663 nan 8.360 nan 0.000 0.500 237 G N 2.977 111.716 108.800 -0.101 0.000 2.338 237 G HA2 -0.288 3.672 3.960 0.000 0.000 0.296 237 G HA3 -0.288 3.672 3.960 0.000 0.000 0.296 237 G C 0.573 175.448 174.900 -0.040 0.000 1.040 237 G CA 0.953 45.986 45.100 -0.112 0.000 1.004 237 G HN 0.398 nan 8.290 nan 0.000 0.509 238 M N -1.733 117.875 119.600 0.014 0.000 2.747 238 M HA 0.485 4.965 4.480 0.000 0.000 0.402 238 M C 1.531 177.856 176.300 0.042 0.000 1.238 238 M CA 0.341 55.661 55.300 0.033 0.000 0.877 238 M CB 0.398 33.039 32.600 0.070 0.000 1.424 238 M HN 0.231 nan 8.290 nan 0.000 0.511 239 G N 1.654 110.475 108.800 0.035 0.000 2.513 239 G HA2 -0.255 3.705 3.960 0.000 0.000 0.219 239 G HA3 -0.255 3.705 3.960 0.000 0.000 0.219 239 G C 1.438 176.334 174.900 -0.008 0.000 1.160 239 G CA 1.524 46.643 45.100 0.031 0.000 0.767 239 G HN 0.688 nan 8.290 nan 0.000 0.571 240 A N 0.449 123.257 122.820 -0.020 0.000 2.024 240 A HA -0.053 4.267 4.320 0.000 0.000 0.220 240 A C 2.379 179.931 177.584 -0.054 0.000 1.164 240 A CA 1.658 53.671 52.037 -0.039 0.000 0.643 240 A CB -0.289 18.690 19.000 -0.036 0.000 0.806 240 A HN 0.419 nan 8.150 nan 0.000 0.451 241 R N -1.200 119.271 120.500 -0.047 0.000 2.317 241 R HA 0.233 4.573 4.340 0.000 0.000 0.208 241 R C -0.671 175.572 176.300 -0.094 0.000 0.914 241 R CA -0.036 56.023 56.100 -0.068 0.000 1.060 241 R CB 0.345 30.611 30.300 -0.057 0.000 1.015 241 R HN 0.308 nan 8.270 nan 0.000 0.498 242 V N 0.422 120.287 119.914 -0.082 0.000 2.555 242 V HA 0.377 4.497 4.120 0.000 0.000 0.302 242 V C -0.059 175.950 176.094 -0.141 0.000 1.038 242 V CA -0.598 61.639 62.300 -0.105 0.000 0.887 242 V CB 2.103 33.918 31.823 -0.012 0.000 0.991 242 V HN -0.005 nan 8.190 nan 0.000 0.434 243 T N 3.115 117.573 114.554 -0.160 0.000 2.916 243 T HA 0.696 5.046 4.350 0.000 0.000 0.298 243 T C -0.446 174.135 174.700 -0.198 0.000 1.031 243 T CA -0.376 61.600 62.100 -0.207 0.000 0.993 243 T CB 1.771 70.551 68.868 -0.147 0.000 1.045 243 T HN 0.921 nan 8.240 nan 0.000 0.454 244 A N 2.422 125.044 122.820 -0.330 0.000 2.277 244 A HA 0.705 5.025 4.320 0.000 0.000 0.318 244 A C 0.236 177.764 177.584 -0.094 0.000 1.339 244 A CA -0.560 51.363 52.037 -0.191 0.000 0.875 244 A CB 0.455 19.295 19.000 -0.267 0.000 1.158 244 A HN 0.666 nan 8.150 nan 0.000 0.514 245 S N 1.928 117.595 115.700 -0.055 0.000 2.586 245 S HA 0.532 5.002 4.470 0.000 0.000 0.274 245 S C 0.805 175.364 174.600 -0.069 0.000 1.281 245 S CA -0.244 57.869 58.200 -0.145 0.000 1.035 245 S CB 0.259 63.295 63.200 -0.273 0.000 0.962 245 S HN 0.857 nan 8.310 nan 0.000 0.512 246 H N 0.673 119.695 119.070 -0.081 0.000 4.783 246 H HA -0.271 4.285 4.556 0.000 0.000 0.059 246 H C 1.179 176.522 175.328 0.025 0.000 0.608 246 H CA 2.296 58.303 56.048 -0.068 0.000 0.928 246 H CB -2.169 27.530 29.762 -0.105 0.000 0.441 246 H HN 1.062 nan 8.280 nan 0.000 0.808 247 T N -0.677 114.007 114.554 0.217 0.000 3.760 247 T HA -0.244 4.106 4.350 0.000 0.000 0.366 247 T C 1.108 175.847 174.700 0.065 0.000 0.761 247 T CA 2.648 64.851 62.100 0.172 0.000 1.887 247 T CB -2.558 66.469 68.868 0.265 0.000 1.811 247 T HN 0.983 nan 8.240 nan 0.000 0.749 248 T N -2.437 112.139 114.554 0.037 0.000 2.962 248 T HA 0.217 4.567 4.350 0.000 0.000 0.270 248 T C 2.261 176.932 174.700 -0.047 0.000 1.088 248 T CA 1.044 63.138 62.100 -0.010 0.000 1.127 248 T CB -0.468 68.372 68.868 -0.047 0.000 0.883 248 T HN 1.064 nan 8.240 nan 0.000 0.493 249 A N 1.492 124.267 122.820 -0.075 0.000 2.019 249 A HA 0.116 4.437 4.320 0.000 0.000 0.219 249 A C 2.358 179.638 177.584 -0.507 0.000 1.164 249 A CA 1.459 53.424 52.037 -0.120 0.000 0.644 249 A CB -0.838 18.186 19.000 0.039 0.000 0.805 249 A HN 0.565 nan 8.150 nan 0.000 0.449 250 M N -1.382 117.816 119.600 -0.671 0.000 2.346 250 M HA -0.206 4.274 4.480 0.000 0.000 0.263 250 M C 1.881 177.917 176.300 -0.440 0.000 1.064 250 M CA 1.990 56.674 55.300 -1.027 0.000 1.083 250 M CB -0.266 32.102 32.600 -0.386 0.000 1.399 250 M HN 0.708 nan 8.290 nan 0.000 0.435 251 H N -0.791 118.121 119.070 -0.262 0.000 2.491 251 H HA 0.002 4.558 4.556 0.000 0.000 0.290 251 H C 1.255 176.538 175.328 -0.075 0.000 1.050 251 H CA 1.857 57.835 56.048 -0.116 0.000 1.309 251 H CB 0.278 30.000 29.762 -0.068 0.000 1.392 251 H HN 0.300 nan 8.280 nan 0.000 0.554 252 S N -0.098 115.582 115.700 -0.035 0.000 2.539 252 S HA 0.108 4.578 4.470 0.000 0.000 0.221 252 S C -0.661 174.029 174.600 0.150 0.000 0.987 252 S CA -0.493 57.734 58.200 0.045 0.000 0.929 252 S CB 0.070 63.328 63.200 0.097 0.000 0.832 252 S HN 0.226 nan 8.310 nan 0.000 0.492 253 Y N 3.948 124.276 120.300 0.045 0.000 2.379 253 Y HA 0.249 4.799 4.550 0.000 0.000 0.337 253 Y C 0.931 176.855 175.900 0.040 0.000 1.238 253 Y CA -2.102 56.041 58.100 0.072 0.000 1.405 253 Y CB -0.075 38.494 38.460 0.182 0.000 1.310 253 Y HN 0.283 nan 8.280 nan 0.000 0.569 254 N N -0.817 118.010 118.700 0.212 0.000 2.444 254 N HA 0.232 4.972 4.740 0.000 0.000 0.255 254 N C 1.100 176.677 175.510 0.112 0.000 1.255 254 N CA 0.130 53.246 53.050 0.110 0.000 0.933 254 N CB 0.514 39.039 38.487 0.064 0.000 1.143 254 N HN 0.687 nan 8.380 nan 0.000 0.453 255 G N -0.591 108.232 108.800 0.038 0.000 2.422 255 G HA2 -0.156 3.804 3.960 0.000 0.000 0.218 255 G HA3 -0.156 3.804 3.960 0.000 0.000 0.218 255 G C 1.327 176.215 174.900 -0.019 0.000 1.140 255 G CA 0.673 45.766 45.100 -0.011 0.000 0.775 255 G HN 0.768 nan 8.290 nan 0.000 0.545 256 A N 0.209 123.036 122.820 0.012 0.000 1.873 256 A HA -0.020 4.300 4.320 0.000 0.000 0.215 256 A C 2.199 179.795 177.584 0.020 0.000 1.186 256 A CA 1.661 53.702 52.037 0.007 0.000 0.616 256 A CB -0.704 18.308 19.000 0.020 0.000 0.823 256 A HN 0.455 nan 8.150 nan 0.000 0.442 257 Y N 1.403 121.676 120.300 -0.045 0.000 2.181 257 Y HA -0.167 4.383 4.550 0.000 0.000 0.288 257 Y C 2.563 178.454 175.900 -0.015 0.000 1.146 257 Y CA 2.235 60.298 58.100 -0.062 0.000 1.164 257 Y CB -0.830 37.546 38.460 -0.140 0.000 0.982 257 Y HN 0.299 nan 8.280 nan 0.000 0.515 258 T N -0.850 113.655 114.554 -0.082 0.000 2.720 258 T HA -0.243 4.107 4.350 0.000 0.000 0.268 258 T C 2.163 176.749 174.700 -0.190 0.000 1.037 258 T CA 1.668 63.711 62.100 -0.095 0.000 1.144 258 T CB -0.661 68.203 68.868 -0.006 0.000 0.864 258 T HN 0.419 nan 8.240 nan 0.000 0.444 259 S N 0.729 116.313 115.700 -0.193 0.000 2.368 259 S HA -0.130 4.340 4.470 0.000 0.000 0.225 259 S C 2.270 176.817 174.600 -0.089 0.000 1.030 259 S CA 0.891 58.992 58.200 -0.164 0.000 0.999 259 S CB -0.255 62.870 63.200 -0.124 0.000 0.844 259 S HN 0.239 nan 8.310 nan 0.000 0.459 260 R N 0.737 121.156 120.500 -0.134 0.000 2.073 260 R HA -0.040 4.300 4.340 0.000 0.000 0.234 260 R C 2.363 178.579 176.300 -0.140 0.000 1.134 260 R CA 1.596 57.623 56.100 -0.122 0.000 0.952 260 R CB -1.309 28.916 30.300 -0.125 0.000 0.850 260 R HN 0.514 nan 8.270 nan 0.000 0.433 261 L N 0.478 121.528 121.223 -0.289 0.000 2.042 261 L HA -0.117 4.223 4.340 0.000 0.000 0.210 261 L C 2.193 179.082 176.870 0.032 0.000 1.076 261 L CA 1.720 56.433 54.840 -0.212 0.000 0.749 261 L CB -0.743 41.088 42.059 -0.381 0.000 0.893 261 L HN 0.137 nan 8.230 nan 0.000 0.432 262 F N -0.236 119.625 119.950 -0.148 0.000 2.202 262 F HA -0.273 4.254 4.527 0.000 0.000 0.301 262 F C 2.747 178.509 175.800 -0.063 0.000 1.082 262 F CA 1.411 59.355 58.000 -0.094 0.000 1.313 262 F CB -0.181 38.764 39.000 -0.092 0.000 1.024 262 F HN 0.137 nan 8.300 nan 0.000 0.495 263 R N 0.543 121.096 120.500 0.088 0.000 2.073 263 R HA -0.217 4.123 4.340 0.000 0.000 0.234 263 R C 2.221 178.511 176.300 -0.016 0.000 1.134 263 R CA 1.716 57.831 56.100 0.025 0.000 0.952 263 R CB -0.560 29.740 30.300 0.001 0.000 0.850 263 R HN 0.339 nan 8.270 nan 0.000 0.433 264 L N 1.115 122.319 121.223 -0.033 0.000 2.056 264 L HA -0.099 4.241 4.340 0.000 0.000 0.207 264 L C 1.996 178.856 176.870 -0.017 0.000 1.078 264 L CA 1.601 56.409 54.840 -0.053 0.000 0.749 264 L CB -0.423 41.608 42.059 -0.047 0.000 0.901 264 L HN 0.250 nan 8.230 nan 0.000 0.433 265 L N -0.452 120.759 121.223 -0.021 0.000 2.042 265 L HA -0.234 4.106 4.340 0.000 0.000 0.210 265 L C 2.648 179.519 176.870 0.001 0.000 1.076 265 L CA 1.720 56.563 54.840 0.005 0.000 0.749 265 L CB -0.787 41.163 42.059 -0.182 0.000 0.893 265 L HN 0.293 nan 8.230 nan 0.000 0.432 266 K N 0.656 121.025 120.400 -0.051 0.000 2.025 266 K HA -0.124 4.196 4.320 0.000 0.000 0.207 266 K C 2.077 178.691 176.600 0.024 0.000 1.049 266 K CA 1.629 57.903 56.287 -0.022 0.000 0.933 266 K CB -0.226 32.263 32.500 -0.019 0.000 0.714 266 K HN 0.112 nan 8.250 nan 0.000 0.438 267 M N 0.444 120.062 119.600 0.030 0.000 2.159 267 M HA -0.153 4.327 4.480 0.000 0.000 0.263 267 M C 2.135 178.551 176.300 0.193 0.000 1.063 267 M CA 1.938 57.288 55.300 0.082 0.000 1.110 267 M CB -0.406 32.198 32.600 0.005 0.000 1.374 267 M HN 0.306 nan 8.290 nan 0.000 0.411 268 S N -0.333 115.460 115.700 0.154 0.000 2.406 268 S HA 0.030 4.500 4.470 0.000 0.000 0.228 268 S C 1.758 176.426 174.600 0.113 0.000 1.020 268 S CA 0.901 59.217 58.200 0.194 0.000 0.965 268 S CB -0.687 62.595 63.200 0.137 0.000 0.798 268 S HN 0.675 nan 8.310 nan 0.000 0.488 269 G N 1.740 110.585 108.800 0.075 0.000 2.155 269 G HA2 -0.289 3.671 3.960 0.000 0.000 0.257 269 G HA3 -0.289 3.671 3.960 0.000 0.000 0.257 269 G C 0.166 175.072 174.900 0.011 0.000 0.983 269 G CA 0.390 45.512 45.100 0.036 0.000 0.676 269 G HN 1.138 nan 8.290 nan 0.000 0.528 270 I N -2.165 118.409 120.570 0.006 0.000 3.004 270 I HA 0.510 4.680 4.170 0.000 0.000 0.287 270 I C 0.145 176.162 176.117 -0.167 0.000 1.144 270 I CA -0.949 60.292 61.300 -0.097 0.000 1.353 270 I CB 0.547 38.449 38.000 -0.164 0.000 1.417 270 I HN -0.002 nan 8.210 nan 0.000 0.602 271 N N 2.420 120.958 118.700 -0.270 0.000 2.472 271 N HA 0.506 5.246 4.740 0.000 0.000 0.289 271 N C -1.427 173.786 175.510 -0.494 0.000 1.156 271 N CA -0.209 52.709 53.050 -0.220 0.000 0.940 271 N CB 1.718 40.123 38.487 -0.137 0.000 1.200 271 N HN 0.459 nan 8.380 nan 0.000 0.511 272 F N 0.018 119.942 119.950 -0.044 0.000 2.540 272 F HA 0.411 4.938 4.527 0.000 0.000 0.317 272 F C -0.067 175.722 175.800 -0.017 0.000 1.104 272 F CA -0.861 57.123 58.000 -0.026 0.000 0.913 272 F CB 1.783 40.764 39.000 -0.030 0.000 1.170 272 F HN -0.036 nan 8.300 nan 0.000 0.450 273 V N 2.812 122.795 119.914 0.116 0.000 2.448 273 V HA 0.819 4.939 4.120 0.000 0.000 0.295 273 V C -0.371 175.740 176.094 0.028 0.000 1.025 273 V CA -0.771 61.564 62.300 0.058 0.000 0.859 273 V CB 1.510 33.320 31.823 -0.021 0.000 0.988 273 V HN 0.882 nan 8.190 nan 0.000 0.431 274 A N 4.074 126.970 122.820 0.127 0.000 2.337 274 A HA 0.786 5.106 4.320 0.000 0.000 0.329 274 A C -0.230 177.330 177.584 -0.040 0.000 1.146 274 A CA -0.692 51.398 52.037 0.089 0.000 0.800 274 A CB 0.837 19.997 19.000 0.267 0.000 1.220 274 A HN 0.742 nan 8.150 nan 0.000 0.472 275 N N 2.765 121.360 118.700 -0.175 0.000 2.841 275 N HA 0.234 4.975 4.740 0.000 0.000 0.257 275 N C -2.466 172.882 175.510 -0.270 0.000 1.396 275 N CA -1.147 51.751 53.050 -0.253 0.000 0.823 275 N CB 1.460 39.763 38.487 -0.306 0.000 1.162 275 N HN 0.251 nan 8.380 nan 0.000 0.503 276 P HA -0.178 nan 4.420 nan 0.000 0.217 276 P C 1.592 178.720 177.300 -0.286 0.000 1.158 276 P CA 1.145 64.004 63.100 -0.402 0.000 0.887 276 P CB 0.509 31.822 31.700 -0.645 0.000 0.792 277 L N -1.627 119.381 121.223 -0.358 0.000 2.046 277 L HA -0.138 4.202 4.340 0.000 0.000 0.208 277 L C 2.400 179.135 176.870 -0.226 0.000 1.077 277 L CA 1.348 55.987 54.840 -0.335 0.000 0.747 277 L CB -1.030 40.637 42.059 -0.653 0.000 0.896 277 L HN -0.112 nan 8.230 nan 0.000 0.432 278 V N -0.147 119.599 119.914 -0.280 0.000 2.407 278 V HA -0.187 3.933 4.120 0.000 0.000 0.245 278 V C 1.980 178.090 176.094 0.028 0.000 1.041 278 V CA 1.747 64.028 62.300 -0.031 0.000 1.040 278 V CB -0.704 31.098 31.823 -0.034 0.000 0.671 278 V HN 0.469 nan 8.190 nan 0.000 0.455 279 N N 0.142 118.813 118.700 -0.047 0.000 2.104 279 N HA -0.204 4.536 4.740 0.000 0.000 0.190 279 N C 1.791 177.269 175.510 -0.054 0.000 1.024 279 N CA 1.432 54.447 53.050 -0.058 0.000 0.853 279 N CB -0.198 38.244 38.487 -0.075 0.000 1.008 279 N HN 0.371 nan 8.380 nan 0.000 0.424 280 I N 0.622 121.169 120.570 -0.038 0.000 2.493 280 I HA -0.215 3.955 4.170 0.000 0.000 0.254 280 I C 2.082 178.235 176.117 0.060 0.000 1.160 280 I CA 1.380 62.669 61.300 -0.019 0.000 1.445 280 I CB -0.278 37.709 38.000 -0.022 0.000 1.086 280 I HN 0.190 nan 8.210 nan 0.000 0.433 281 H N 0.137 119.215 119.070 0.013 0.000 2.343 281 H HA 0.058 4.614 4.556 0.000 0.000 0.303 281 H C 1.824 177.172 175.328 0.033 0.000 1.068 281 H CA 1.963 58.044 56.048 0.055 0.000 1.359 281 H CB -0.271 29.593 29.762 0.170 0.000 1.402 281 H HN 0.319 nan 8.280 nan 0.000 0.515 282 L N 0.028 121.105 121.223 -0.242 0.000 2.375 282 L HA 0.077 4.417 4.340 0.000 0.000 0.215 282 L C 0.655 177.441 176.870 -0.141 0.000 1.108 282 L CA 0.053 54.718 54.840 -0.291 0.000 0.830 282 L CB -0.136 41.797 42.059 -0.210 0.000 0.959 282 L HN 0.254 nan 8.230 nan 0.000 0.457 283 Q N 0.027 119.767 119.800 -0.100 0.000 2.256 283 Q HA 0.310 4.650 4.340 0.000 0.000 0.232 283 Q C 1.059 177.018 176.000 -0.069 0.000 0.965 283 Q CA 0.552 56.314 55.803 -0.068 0.000 0.908 283 Q CB 0.869 29.550 28.738 -0.095 0.000 1.209 283 Q HN 0.290 nan 8.270 nan 0.000 0.489 284 G N 1.170 109.954 108.800 -0.027 0.000 2.168 284 G HA2 -0.311 3.649 3.960 0.000 0.000 0.263 284 G HA3 -0.311 3.649 3.960 0.000 0.000 0.263 284 G C 0.866 175.712 174.900 -0.089 0.000 0.977 284 G CA 0.428 45.506 45.100 -0.036 0.000 0.659 284 G HN 0.457 nan 8.290 nan 0.000 0.533 285 R N -0.764 119.643 120.500 -0.155 0.000 2.280 285 R HA 0.129 4.469 4.340 0.000 0.000 0.207 285 R C 1.594 177.574 176.300 -0.534 0.000 1.043 285 R CA 1.017 56.899 56.100 -0.364 0.000 1.006 285 R CB -0.366 29.640 30.300 -0.489 0.000 0.885 285 R HN 0.559 nan 8.270 nan 0.000 0.467 286 F N 0.140 120.067 119.950 -0.037 0.000 2.695 286 F HA 0.172 4.699 4.527 0.000 0.000 0.303 286 F C 0.520 176.298 175.800 -0.037 0.000 1.091 286 F CA -0.473 57.511 58.000 -0.027 0.000 1.300 286 F CB 0.285 39.280 39.000 -0.008 0.000 1.071 286 F HN -0.238 nan 8.300 nan 0.000 0.578 287 D N -0.074 120.352 120.400 0.043 0.000 2.312 287 D HA 0.203 4.843 4.640 0.000 0.000 0.248 287 D C 1.195 177.437 176.300 -0.097 0.000 1.086 287 D CA 0.335 54.331 54.000 -0.005 0.000 0.948 287 D CB 1.556 42.336 40.800 -0.033 0.000 1.162 287 D HN 0.075 nan 8.370 nan 0.000 0.446 288 T N -1.611 112.892 114.554 -0.085 0.000 3.555 288 T HA 0.196 4.546 4.350 0.000 0.000 0.201 288 T C -0.200 174.304 174.700 -0.326 0.000 0.850 288 T CA 0.164 62.181 62.100 -0.140 0.000 1.646 288 T CB -0.110 68.771 68.868 0.022 0.000 1.774 288 T HN 0.356 nan 8.240 nan 0.000 0.447 289 Y N 2.166 122.480 120.300 0.023 0.000 2.441 289 Y HA 0.591 5.141 4.550 0.000 0.000 0.334 289 Y C -2.241 173.674 175.900 0.025 0.000 1.061 289 Y CA -2.277 55.837 58.100 0.022 0.000 1.032 289 Y CB 1.139 39.608 38.460 0.016 0.000 1.266 289 Y HN 0.432 nan 8.280 nan 0.000 0.441 290 P HA 0.261 nan 4.420 nan 0.000 0.272 290 P C -1.308 176.034 177.300 0.070 0.000 1.240 290 P CA -0.603 62.607 63.100 0.184 0.000 0.791 290 P CB 1.383 33.159 31.700 0.126 0.000 0.978 291 K N 1.092 121.515 120.400 0.038 0.000 2.323 291 K HA 0.225 4.545 4.320 0.000 0.000 0.259 291 K C 0.491 177.101 176.600 0.016 0.000 0.947 291 K CA -0.828 55.434 56.287 -0.042 0.000 0.819 291 K CB 1.344 33.750 32.500 -0.158 0.000 1.109 291 K HN 0.489 nan 8.250 nan 0.000 0.429 292 R N 3.226 123.745 120.500 0.030 0.000 2.641 292 R HA 0.161 4.501 4.340 0.000 0.000 0.269 292 R C 0.296 176.565 176.300 -0.052 0.000 1.074 292 R CA -0.109 56.035 56.100 0.072 0.000 1.133 292 R CB 0.729 31.119 30.300 0.150 0.000 1.029 292 R HN 0.665 nan 8.270 nan 0.000 0.488 293 R N 0.787 121.209 120.500 -0.130 0.000 2.062 293 R HA 0.016 4.356 4.340 0.000 0.000 0.229 293 R C 1.043 177.070 176.300 -0.455 0.000 1.128 293 R CA 1.307 57.252 56.100 -0.258 0.000 0.960 293 R CB -0.278 29.920 30.300 -0.170 0.000 0.855 293 R HN 1.055 nan 8.270 nan 0.000 0.432 294 G N 0.596 108.785 108.800 -1.019 0.000 2.136 294 G HA2 -0.248 3.712 3.960 0.000 0.000 0.242 294 G HA3 -0.248 3.712 3.960 0.000 0.000 0.242 294 G C 0.129 174.808 174.900 -0.367 0.000 0.989 294 G CA -0.114 44.623 45.100 -0.604 0.000 0.682 294 G HN 0.193 nan 8.290 nan 0.000 0.522 295 I N 0.718 121.067 120.570 -0.367 0.000 2.488 295 I HA 0.368 4.538 4.170 0.000 0.000 0.299 295 I C 1.365 177.526 176.117 0.073 0.000 0.984 295 I CA -0.572 60.678 61.300 -0.084 0.000 1.250 295 I CB 1.573 39.541 38.000 -0.053 0.000 1.389 295 I HN 0.139 nan 8.210 nan 0.000 0.488 296 T N 3.946 118.546 114.554 0.078 0.000 2.680 296 T HA 0.059 4.409 4.350 0.000 0.000 0.314 296 T C 0.772 175.537 174.700 0.109 0.000 1.045 296 T CA -0.161 61.991 62.100 0.087 0.000 1.025 296 T CB 0.299 69.212 68.868 0.075 0.000 1.000 296 T HN 0.479 nan 8.240 nan 0.000 0.535 297 R N 2.556 123.103 120.500 0.078 0.000 4.576 297 R HA 0.128 4.468 4.340 0.000 0.000 0.185 297 R C 1.543 177.904 176.300 0.102 0.000 1.837 297 R CA -0.343 55.814 56.100 0.095 0.000 1.520 297 R CB -0.621 29.748 30.300 0.115 0.000 1.403 297 R HN 0.395 nan 8.270 nan 0.000 0.831 298 V N 1.167 121.146 119.914 0.108 0.000 2.255 298 V HA -0.355 3.765 4.120 0.000 0.000 0.247 298 V C 2.554 178.698 176.094 0.084 0.000 1.051 298 V CA 1.950 64.314 62.300 0.107 0.000 1.018 298 V CB -0.412 31.530 31.823 0.197 0.000 0.641 298 V HN 0.542 nan 8.190 nan 0.000 0.445 299 K N -0.011 120.441 120.400 0.086 0.000 2.032 299 K HA -0.268 4.052 4.320 0.000 0.000 0.209 299 K C 2.095 178.735 176.600 0.066 0.000 1.048 299 K CA 2.109 58.434 56.287 0.064 0.000 0.927 299 K CB -0.107 32.422 32.500 0.049 0.000 0.712 299 K HN 0.463 nan 8.250 nan 0.000 0.441 300 E N 0.409 120.657 120.200 0.081 0.000 2.106 300 E HA -0.126 4.224 4.350 0.000 0.000 0.192 300 E C 1.955 178.720 176.600 0.275 0.000 0.984 300 E CA 1.439 57.907 56.400 0.113 0.000 0.806 300 E CB -0.079 29.612 29.700 -0.015 0.000 0.750 300 E HN 0.352 nan 8.360 nan 0.000 0.458 301 M N -0.209 119.524 119.600 0.221 0.000 2.086 301 M HA -0.138 4.342 4.480 0.000 0.000 0.261 301 M C 2.065 178.380 176.300 0.025 0.000 1.067 301 M CA 1.313 56.637 55.300 0.041 0.000 1.116 301 M CB -0.304 32.212 32.600 -0.141 0.000 1.348 301 M HN 0.110 nan 8.290 nan 0.000 0.407 302 L N -0.215 121.033 121.223 0.040 0.000 2.046 302 L HA -0.216 4.124 4.340 0.000 0.000 0.208 302 L C 2.246 179.142 176.870 0.044 0.000 1.077 302 L CA 1.414 56.279 54.840 0.041 0.000 0.747 302 L CB -0.664 41.426 42.059 0.052 0.000 0.896 302 L HN 0.347 nan 8.230 nan 0.000 0.432 303 E N -0.575 119.660 120.200 0.058 0.000 2.204 303 E HA -0.138 4.212 4.350 0.000 0.000 0.194 303 E C 1.977 178.612 176.600 0.058 0.000 0.989 303 E CA 1.153 57.583 56.400 0.051 0.000 0.824 303 E CB 0.055 29.781 29.700 0.044 0.000 0.756 303 E HN 0.329 nan 8.360 nan 0.000 0.477 304 S N -0.894 114.859 115.700 0.088 0.000 2.575 304 S HA 0.152 4.622 4.470 0.000 0.000 0.215 304 S C 1.163 175.778 174.600 0.025 0.000 0.966 304 S CA 0.453 58.707 58.200 0.089 0.000 0.911 304 S CB 0.952 64.275 63.200 0.205 0.000 0.780 304 S HN 0.477 nan 8.310 nan 0.000 0.514 305 G N 1.766 110.567 108.800 0.001 0.000 2.147 305 G HA2 -0.247 3.713 3.960 0.000 0.000 0.244 305 G HA3 -0.247 3.713 3.960 0.000 0.000 0.244 305 G C -0.007 174.854 174.900 -0.066 0.000 1.005 305 G CA -0.160 44.921 45.100 -0.031 0.000 0.713 305 G HN 0.508 nan 8.290 nan 0.000 0.515 306 I N 0.612 121.130 120.570 -0.087 0.000 2.365 306 I HA 0.183 4.353 4.170 0.000 0.000 0.291 306 I C 0.631 176.691 176.117 -0.095 0.000 1.004 306 I CA -0.845 60.392 61.300 -0.105 0.000 1.311 306 I CB 1.091 38.943 38.000 -0.246 0.000 1.401 306 I HN 0.142 nan 8.210 nan 0.000 0.491 307 N N 5.883 124.541 118.700 -0.069 0.000 2.431 307 N HA 0.244 4.984 4.740 0.000 0.000 0.265 307 N C -1.077 174.444 175.510 0.017 0.000 1.184 307 N CA 0.144 53.108 53.050 -0.144 0.000 0.943 307 N CB 0.789 39.185 38.487 -0.151 0.000 1.080 307 N HN 0.371 nan 8.380 nan 0.000 0.477 308 V N 4.258 124.166 119.914 -0.010 0.000 2.925 308 V HA 0.776 4.896 4.120 0.000 0.000 0.311 308 V C -0.622 175.515 176.094 0.071 0.000 1.104 308 V CA -0.498 61.855 62.300 0.089 0.000 0.954 308 V CB 0.991 32.848 31.823 0.057 0.000 1.022 308 V HN 1.029 nan 8.190 nan 0.000 0.427 309 C N 3.444 122.766 119.300 0.036 0.000 3.323 309 C HA 0.826 5.286 4.460 0.000 0.000 0.324 309 C C -1.418 173.612 174.990 0.066 0.000 1.428 309 C CA -0.906 58.080 59.018 -0.052 0.000 1.368 309 C CB 1.428 29.188 27.740 0.033 0.000 1.731 309 C HN 0.684 nan 8.230 nan 0.000 0.455 310 F N 1.067 121.023 119.950 0.011 0.000 2.469 310 F HA 0.780 5.307 4.527 0.000 0.000 0.332 310 F C 0.796 176.575 175.800 -0.034 0.000 1.103 310 F CA -0.346 57.636 58.000 -0.030 0.000 0.979 310 F CB 1.799 40.773 39.000 -0.043 0.000 1.137 310 F HN 1.145 nan 8.300 nan 0.000 0.463 311 G N 0.520 109.394 108.800 0.124 0.000 2.537 311 G HA2 0.244 4.204 3.960 0.000 0.000 0.308 311 G HA3 0.244 4.204 3.960 0.000 0.000 0.308 311 G C -0.015 174.886 174.900 0.002 0.000 1.237 311 G CA -0.220 44.921 45.100 0.068 0.000 0.968 311 G HN 0.690 nan 8.290 nan 0.000 0.481 312 H N -0.342 118.713 119.070 -0.026 0.000 2.465 312 H HA 0.002 4.558 4.556 0.000 0.000 0.289 312 H C 1.597 176.869 175.328 -0.092 0.000 1.022 312 H CA 1.672 57.675 56.048 -0.075 0.000 1.340 312 H CB 0.449 30.208 29.762 -0.006 0.000 1.437 312 H HN 0.727 nan 8.280 nan 0.000 0.539 313 D N -0.901 119.616 120.400 0.196 0.000 4.286 313 D HA -0.164 4.476 4.640 0.000 0.000 0.203 313 D C 0.697 177.205 176.300 0.345 0.000 1.071 313 D CA 2.210 56.362 54.000 0.254 0.000 2.291 313 D CB -1.598 39.223 40.800 0.035 0.000 1.164 313 D HN 0.548 nan 8.370 nan 0.000 0.407 314 G N -0.478 108.492 108.800 0.284 0.000 2.482 314 G HA2 0.616 4.576 3.960 0.000 0.000 0.317 314 G HA3 0.616 4.576 3.960 0.000 0.000 0.317 314 G C -1.142 174.004 174.900 0.409 0.000 1.241 314 G CA 0.047 45.355 45.100 0.346 0.000 0.967 314 G HN 0.430 nan 8.290 nan 0.000 0.482 315 V N 2.807 122.920 119.914 0.332 0.000 2.447 315 V HA 0.360 4.480 4.120 0.000 0.000 0.292 315 V C -0.075 176.284 176.094 0.441 0.000 1.021 315 V CA -0.406 62.086 62.300 0.320 0.000 0.850 315 V CB 1.083 32.949 31.823 0.071 0.000 1.005 315 V HN 0.885 nan 8.190 nan 0.000 0.426 316 F N 4.343 124.466 119.950 0.288 0.000 3.027 316 F HA -0.182 4.345 4.527 0.000 0.000 0.276 316 F C 0.185 176.089 175.800 0.174 0.000 0.967 316 F CA 1.197 59.328 58.000 0.218 0.000 0.929 316 F CB -0.954 38.183 39.000 0.229 0.000 0.873 316 F HN 0.910 nan 8.300 nan 0.000 0.787 317 D N -0.952 119.674 120.400 0.376 0.000 2.585 317 D HA 0.580 5.220 4.640 0.000 0.000 0.254 317 D C -2.266 174.117 176.300 0.138 0.000 1.067 317 D CA -1.745 52.396 54.000 0.235 0.000 1.090 317 D CB 0.699 41.688 40.800 0.314 0.000 1.408 317 D HN -0.098 nan 8.370 nan 0.000 0.554 318 P HA -0.064 nan 4.420 nan 0.000 0.218 318 P C 0.632 177.695 177.300 -0.396 0.000 1.146 318 P CA 1.284 64.144 63.100 -0.400 0.000 0.813 318 P CB 0.071 31.243 31.700 -0.880 0.000 0.778 319 W N -3.295 118.102 121.300 0.163 0.000 2.704 319 W HA 0.201 4.861 4.660 0.000 0.000 0.266 319 W C 0.316 177.066 176.519 0.384 0.000 1.266 319 W CA 0.348 57.819 57.345 0.209 0.000 1.377 319 W CB -0.153 29.363 29.460 0.094 0.000 1.082 319 W HN -0.084 nan 8.180 nan 0.000 0.608 320 Y N 2.651 123.181 120.300 0.384 0.000 2.344 320 Y HA 0.310 4.860 4.550 0.000 0.000 0.328 320 Y C -1.852 174.195 175.900 0.246 0.000 1.067 320 Y CA -2.651 55.617 58.100 0.280 0.000 1.247 320 Y CB 1.289 39.928 38.460 0.298 0.000 1.113 320 Y HN -0.305 nan 8.280 nan 0.000 0.465 321 P HA -0.048 nan 4.420 nan 0.000 0.233 321 P C 0.027 177.283 177.300 -0.073 0.000 1.167 321 P CA 1.053 64.159 63.100 0.010 0.000 0.770 321 P CB 1.175 32.881 31.700 0.010 0.000 0.837 322 L N -1.334 119.565 121.223 -0.540 0.000 2.805 322 L HA 0.716 5.056 4.340 0.000 0.000 0.242 322 L C 0.722 177.678 176.870 0.144 0.000 1.180 322 L CA -0.193 54.466 54.840 -0.303 0.000 1.001 322 L CB -0.028 41.805 42.059 -0.376 0.000 1.864 322 L HN 0.025 nan 8.230 nan 0.000 0.551 323 G N -0.385 108.549 108.800 0.223 0.000 2.697 323 G HA2 -0.036 3.924 3.960 0.000 0.000 0.686 323 G HA3 -0.036 3.924 3.960 0.000 0.000 0.686 323 G C -0.185 174.826 174.900 0.183 0.000 1.179 323 G CA -0.226 45.114 45.100 0.399 0.000 0.765 323 G HN 0.844 nan 8.290 nan 0.000 0.649 324 T N -1.622 113.025 114.554 0.155 0.000 3.337 324 T HA 0.687 5.037 4.350 0.000 0.000 0.299 324 T C 1.270 176.071 174.700 0.169 0.000 0.998 324 T CA 1.438 63.527 62.100 -0.019 0.000 0.948 324 T CB 0.460 69.167 68.868 -0.268 0.000 1.170 324 T HN 2.697 nan 8.240 nan 0.000 0.508 325 A N 1.512 124.411 122.820 0.132 0.000 2.791 325 A HA -0.183 4.137 4.320 0.000 0.000 0.292 325 A C 0.275 177.946 177.584 0.144 0.000 1.487 325 A CA 0.656 52.712 52.037 0.031 0.000 0.760 325 A CB -2.459 16.635 19.000 0.157 0.000 1.031 325 A HN 0.704 nan 8.150 nan 0.000 0.503 326 N N 0.049 118.860 118.700 0.184 0.000 2.457 326 N HA 0.439 5.179 4.740 0.000 0.000 0.250 326 N C 1.196 176.701 175.510 -0.009 0.000 0.982 326 N CA -0.606 52.474 53.050 0.050 0.000 0.941 326 N CB 0.422 38.907 38.487 -0.003 0.000 1.120 326 N HN 0.285 nan 8.380 nan 0.000 0.505 327 M N 3.383 122.883 119.600 -0.167 0.000 2.229 327 M HA -0.049 4.431 4.480 0.000 0.000 0.264 327 M C 1.777 177.905 176.300 -0.287 0.000 1.063 327 M CA 0.903 56.048 55.300 -0.259 0.000 1.114 327 M CB -0.737 31.588 32.600 -0.459 0.000 1.387 327 M HN 0.552 nan 8.290 nan 0.000 0.420 328 L N -0.485 120.529 121.223 -0.348 0.000 2.201 328 L HA -0.199 4.141 4.340 0.000 0.000 0.212 328 L C 2.616 179.439 176.870 -0.078 0.000 1.105 328 L CA 0.979 55.708 54.840 -0.184 0.000 0.775 328 L CB -0.457 41.524 42.059 -0.130 0.000 0.913 328 L HN 0.424 nan 8.230 nan 0.000 0.440 329 Q N -0.305 119.436 119.800 -0.099 0.000 2.083 329 Q HA -0.143 4.197 4.340 0.000 0.000 0.198 329 Q C 2.255 178.206 176.000 -0.082 0.000 0.969 329 Q CA 1.251 56.998 55.803 -0.093 0.000 0.838 329 Q CB 0.215 28.895 28.738 -0.097 0.000 0.900 329 Q HN 0.317 nan 8.270 nan 0.000 0.436 330 V N 1.233 121.070 119.914 -0.129 0.000 2.295 330 V HA -0.266 3.854 4.120 0.000 0.000 0.246 330 V C 2.311 178.332 176.094 -0.121 0.000 1.049 330 V CA 1.573 63.752 62.300 -0.202 0.000 1.024 330 V CB -0.665 31.048 31.823 -0.183 0.000 0.648 330 V HN 0.420 nan 8.190 nan 0.000 0.447 331 L N -0.103 121.145 121.223 0.042 0.000 2.012 331 L HA -0.226 4.114 4.340 0.000 0.000 0.210 331 L C 2.536 179.499 176.870 0.155 0.000 1.073 331 L CA 2.323 57.290 54.840 0.213 0.000 0.748 331 L CB -1.111 41.047 42.059 0.164 0.000 0.891 331 L HN 0.509 nan 8.230 nan 0.000 0.431 332 H N -0.843 118.233 119.070 0.011 0.000 2.319 332 H HA -0.254 4.302 4.556 0.000 0.000 0.297 332 H C 2.117 177.496 175.328 0.084 0.000 1.097 332 H CA 2.547 58.627 56.048 0.052 0.000 1.285 332 H CB -0.017 29.730 29.762 -0.024 0.000 1.368 332 H HN 0.423 nan 8.280 nan 0.000 0.495 333 M N 0.670 120.320 119.600 0.083 0.000 2.086 333 M HA -0.023 4.457 4.480 0.000 0.000 0.261 333 M C 2.607 178.845 176.300 -0.103 0.000 1.067 333 M CA 1.966 57.242 55.300 -0.040 0.000 1.116 333 M CB -1.003 31.531 32.600 -0.110 0.000 1.348 333 M HN 0.276 nan 8.290 nan 0.000 0.407 334 G N 0.103 108.752 108.800 -0.251 0.000 2.440 334 G HA2 -0.180 3.780 3.960 0.000 0.000 0.218 334 G HA3 -0.180 3.780 3.960 0.000 0.000 0.218 334 G C 1.523 176.449 174.900 0.044 0.000 1.154 334 G CA 1.189 46.085 45.100 -0.341 0.000 0.767 334 G HN 0.512 nan 8.290 nan 0.000 0.552 335 L N -0.546 120.746 121.223 0.114 0.000 2.083 335 L HA -0.083 4.257 4.340 0.000 0.000 0.209 335 L C 2.713 179.552 176.870 -0.052 0.000 1.083 335 L CA 1.227 56.098 54.840 0.051 0.000 0.752 335 L CB -0.482 41.566 42.059 -0.020 0.000 0.899 335 L HN 0.216 nan 8.230 nan 0.000 0.433 336 H N -1.151 117.846 119.070 -0.121 0.000 2.307 336 H HA -0.109 4.447 4.556 0.000 0.000 0.303 336 H C 2.265 177.560 175.328 -0.054 0.000 1.073 336 H CA 1.565 57.546 56.048 -0.111 0.000 1.338 336 H CB -0.248 29.413 29.762 -0.168 0.000 1.389 336 H HN -0.033 nan 8.280 nan 0.000 0.503 337 V N -0.539 119.419 119.914 0.074 0.000 2.515 337 V HA -0.227 3.893 4.120 0.000 0.000 0.250 337 V C 2.013 178.133 176.094 0.044 0.000 1.058 337 V CA 1.501 63.821 62.300 0.033 0.000 1.064 337 V CB -0.361 31.449 31.823 -0.022 0.000 0.675 337 V HN 0.585 nan 8.190 nan 0.000 0.461 338 C N -0.585 118.748 119.300 0.054 0.000 2.626 338 C HA 0.166 4.626 4.460 0.000 0.000 0.266 338 C C 1.346 176.371 174.990 0.059 0.000 1.317 338 C CA -0.449 58.619 59.018 0.083 0.000 1.716 338 C CB -1.555 26.268 27.740 0.138 0.000 1.819 338 C HN 0.714 nan 8.230 nan 0.000 0.578 339 Q N -0.605 119.213 119.800 0.029 0.000 2.468 339 Q HA -0.205 4.135 4.340 0.000 0.000 0.289 339 Q C -0.381 175.619 176.000 0.000 0.000 1.299 339 Q CA 0.413 56.217 55.803 0.002 0.000 0.838 339 Q CB -1.510 27.238 28.738 0.017 0.000 1.195 339 Q HN 0.685 nan 8.270 nan 0.000 0.456 340 L N 0.503 121.724 121.223 -0.003 0.000 2.657 340 L HA 0.220 4.560 4.340 0.000 0.000 0.239 340 L C 0.868 177.719 176.870 -0.032 0.000 1.215 340 L CA -0.300 54.542 54.840 0.004 0.000 1.161 340 L CB 0.196 42.276 42.059 0.035 0.000 1.436 340 L HN 0.305 nan 8.230 nan 0.000 0.414 341 M N -0.032 119.545 119.600 -0.039 0.000 2.404 341 M HA 0.250 4.730 4.480 0.000 0.000 0.271 341 M C 1.011 177.325 176.300 0.024 0.000 1.128 341 M CA -0.029 55.240 55.300 -0.052 0.000 0.982 341 M CB 0.351 32.890 32.600 -0.102 0.000 1.445 341 M HN 0.318 nan 8.290 nan 0.000 0.495 342 G N -0.887 107.936 108.800 0.038 0.000 2.539 342 G HA2 0.123 4.083 3.960 0.000 0.000 0.258 342 G HA3 0.123 4.083 3.960 0.000 0.000 0.258 342 G C 0.311 175.281 174.900 0.116 0.000 1.202 342 G CA -0.298 44.848 45.100 0.076 0.000 0.851 342 G HN 0.328 nan 8.290 nan 0.000 0.556 343 Y N 1.491 121.811 120.300 0.033 0.000 2.081 343 Y HA -0.188 4.362 4.550 0.000 0.000 0.280 343 Y C 2.609 178.543 175.900 0.056 0.000 1.163 343 Y CA 2.772 60.882 58.100 0.017 0.000 1.135 343 Y CB -0.442 37.944 38.460 -0.123 0.000 0.970 343 Y HN 0.481 nan 8.280 nan 0.000 0.498 344 G N -0.788 108.025 108.800 0.023 0.000 2.422 344 G HA2 -0.240 3.720 3.960 0.000 0.000 0.218 344 G HA3 -0.240 3.720 3.960 0.000 0.000 0.218 344 G C 1.428 176.291 174.900 -0.061 0.000 1.146 344 G CA 0.860 45.934 45.100 -0.043 0.000 0.769 344 G HN 0.528 nan 8.290 nan 0.000 0.547 345 Q N -0.280 119.509 119.800 -0.019 0.000 2.084 345 Q HA 0.014 4.354 4.340 0.000 0.000 0.202 345 Q C 2.559 178.542 176.000 -0.029 0.000 0.978 345 Q CA 0.955 56.749 55.803 -0.014 0.000 0.844 345 Q CB -0.159 28.582 28.738 0.006 0.000 0.898 345 Q HN 0.529 nan 8.270 nan 0.000 0.426 346 I N 0.675 121.228 120.570 -0.029 0.000 2.233 346 I HA -0.240 3.930 4.170 0.000 0.000 0.243 346 I C 2.141 178.234 176.117 -0.039 0.000 1.093 346 I CA 0.923 62.213 61.300 -0.017 0.000 1.380 346 I CB -0.257 37.781 38.000 0.064 0.000 1.067 346 I HN 0.215 nan 8.210 nan 0.000 0.413 347 N N 1.141 119.771 118.700 -0.118 0.000 2.104 347 N HA -0.214 4.526 4.740 0.000 0.000 0.190 347 N C 1.290 176.768 175.510 -0.054 0.000 1.024 347 N CA 1.568 54.547 53.050 -0.117 0.000 0.853 347 N CB -0.089 38.211 38.487 -0.312 0.000 1.008 347 N HN 0.188 nan 8.380 nan 0.000 0.424 348 D N -1.044 119.320 120.400 -0.060 0.000 2.363 348 D HA 0.064 4.704 4.640 0.000 0.000 0.226 348 D C 1.660 177.921 176.300 -0.066 0.000 1.020 348 D CA 0.449 54.421 54.000 -0.047 0.000 0.892 348 D CB -0.608 40.168 40.800 -0.039 0.000 0.900 348 D HN 0.422 nan 8.370 nan 0.000 0.531 349 G N 0.970 109.740 108.800 -0.051 0.000 2.475 349 G HA2 -0.241 3.719 3.960 0.000 0.000 0.220 349 G HA3 -0.241 3.719 3.960 0.000 0.000 0.220 349 G C 1.654 176.520 174.900 -0.056 0.000 1.125 349 G CA 0.231 45.297 45.100 -0.056 0.000 0.755 349 G HN 0.306 nan 8.290 nan 0.000 0.565 350 L N 0.507 121.731 121.223 0.001 0.000 2.189 350 L HA -0.136 4.204 4.340 0.000 0.000 0.214 350 L C 2.575 179.449 176.870 0.006 0.000 1.097 350 L CA 0.785 55.665 54.840 0.067 0.000 0.764 350 L CB -0.470 41.656 42.059 0.112 0.000 0.900 350 L HN 0.180 nan 8.230 nan 0.000 0.436 351 N N 0.392 119.024 118.700 -0.114 0.000 2.205 351 N HA -0.152 4.588 4.740 0.000 0.000 0.186 351 N C 1.861 177.095 175.510 -0.461 0.000 1.015 351 N CA 1.182 54.059 53.050 -0.288 0.000 0.862 351 N CB -0.274 37.887 38.487 -0.544 0.000 0.986 351 N HN 0.364 nan 8.380 nan 0.000 0.429 352 L N 0.864 121.842 121.223 -0.410 0.000 2.362 352 L HA -0.011 4.329 4.340 0.000 0.000 0.219 352 L C 1.618 178.380 176.870 -0.180 0.000 1.134 352 L CA 0.712 55.309 54.840 -0.405 0.000 0.807 352 L CB -0.222 41.415 42.059 -0.704 0.000 0.927 352 L HN 0.226 nan 8.230 nan 0.000 0.447 353 I N -5.124 115.424 120.570 -0.037 0.000 4.050 353 I HA 0.213 4.383 4.170 0.000 0.000 0.327 353 I C 1.029 177.269 176.117 0.205 0.000 1.473 353 I CA 0.096 61.450 61.300 0.091 0.000 1.124 353 I CB 0.012 38.056 38.000 0.073 0.000 1.129 353 I HN 0.041 nan 8.210 nan 0.000 0.428 354 T N -3.420 111.203 114.554 0.115 0.000 2.977 354 T HA 0.257 4.607 4.350 0.000 0.000 0.152 354 T C 1.543 176.214 174.700 -0.048 0.000 0.867 354 T CA 0.098 62.263 62.100 0.108 0.000 0.917 354 T CB -0.250 68.652 68.868 0.057 0.000 2.051 354 T HN 0.083 nan 8.240 nan 0.000 0.350 355 H N 1.214 120.363 119.070 0.131 0.000 2.353 355 H HA -0.083 4.473 4.556 0.000 0.000 0.298 355 H C 2.273 177.639 175.328 0.064 0.000 1.103 355 H CA 2.293 58.403 56.048 0.103 0.000 1.293 355 H CB -0.577 29.286 29.762 0.169 0.000 1.372 355 H HN 0.649 nan 8.280 nan 0.000 0.501 356 H N -0.232 118.862 119.070 0.039 0.000 2.389 356 H HA -0.042 4.514 4.556 0.000 0.000 0.299 356 H C 2.328 177.603 175.328 -0.088 0.000 1.081 356 H CA 0.770 56.799 56.048 -0.031 0.000 1.345 356 H CB 0.383 30.116 29.762 -0.048 0.000 1.393 356 H HN 0.193 nan 8.280 nan 0.000 0.520 357 S N 0.457 116.166 115.700 0.014 0.000 2.406 357 S HA -0.069 4.401 4.470 0.000 0.000 0.228 357 S C 2.421 176.901 174.600 -0.200 0.000 1.020 357 S CA 0.605 58.766 58.200 -0.065 0.000 0.965 357 S CB -0.031 63.149 63.200 -0.033 0.000 0.798 357 S HN 0.480 nan 8.310 nan 0.000 0.488 358 A N 1.991 124.574 122.820 -0.394 0.000 1.933 358 A HA -0.098 4.223 4.320 0.000 0.000 0.218 358 A C 2.078 179.464 177.584 -0.331 0.000 1.175 358 A CA 1.397 53.053 52.037 -0.636 0.000 0.628 358 A CB -0.499 17.684 19.000 -1.363 0.000 0.814 358 A HN 0.414 nan 8.150 nan 0.000 0.444 359 R N -0.798 119.586 120.500 -0.193 0.000 2.081 359 R HA -0.111 4.229 4.340 0.000 0.000 0.235 359 R C 2.058 178.289 176.300 -0.114 0.000 1.131 359 R CA 1.899 57.929 56.100 -0.117 0.000 0.960 359 R CB -0.550 29.707 30.300 -0.072 0.000 0.856 359 R HN 0.475 nan 8.270 nan 0.000 0.436 360 T N 1.123 115.612 114.554 -0.108 0.000 2.759 360 T HA -0.114 4.236 4.350 0.000 0.000 0.269 360 T C 1.277 175.907 174.700 -0.116 0.000 1.042 360 T CA 0.945 62.985 62.100 -0.099 0.000 1.140 360 T CB -0.022 68.803 68.868 -0.072 0.000 0.864 360 T HN 0.090 nan 8.240 nan 0.000 0.455 361 L N 1.171 122.310 121.223 -0.140 0.000 2.591 361 L HA 0.326 4.666 4.340 0.000 0.000 0.228 361 L C 0.851 177.643 176.870 -0.131 0.000 1.133 361 L CA 0.232 54.988 54.840 -0.139 0.000 0.880 361 L CB -1.019 40.948 42.059 -0.153 0.000 1.033 361 L HN 0.230 nan 8.230 nan 0.000 0.450 362 N N -0.064 118.560 118.700 -0.126 0.000 2.735 362 N HA -0.238 4.502 4.740 0.000 0.000 0.248 362 N C -0.428 175.022 175.510 -0.099 0.000 1.083 362 N CA 0.356 53.347 53.050 -0.100 0.000 0.703 362 N CB -1.208 37.231 38.487 -0.080 0.000 1.005 362 N HN 0.257 nan 8.380 nan 0.000 0.550 363 L N 0.135 121.271 121.223 -0.145 0.000 2.453 363 L HA 0.059 4.399 4.340 0.000 0.000 0.272 363 L C 1.546 178.381 176.870 -0.058 0.000 1.182 363 L CA -0.080 54.677 54.840 -0.138 0.000 0.858 363 L CB 0.716 42.603 42.059 -0.287 0.000 1.120 363 L HN 0.248 nan 8.230 nan 0.000 0.474 364 Q N 1.017 120.805 119.800 -0.020 0.000 2.319 364 Q HA 0.089 4.429 4.340 0.000 0.000 0.209 364 Q C -0.342 175.680 176.000 0.036 0.000 0.884 364 Q CA 0.378 56.186 55.803 0.008 0.000 0.938 364 Q CB 0.565 29.305 28.738 0.003 0.000 1.098 364 Q HN 0.537 nan 8.270 nan 0.000 0.517 365 D N 0.015 120.450 120.400 0.059 0.000 2.443 365 D HA 0.181 4.822 4.640 0.000 0.000 0.281 365 D C -1.768 174.615 176.300 0.139 0.000 1.210 365 D CA -0.542 53.505 54.000 0.080 0.000 0.875 365 D CB -0.117 40.725 40.800 0.070 0.000 1.125 365 D HN -0.081 nan 8.370 nan 0.000 0.503 366 Y N 1.400 121.686 120.300 -0.023 0.000 2.442 366 Y HA 0.554 5.104 4.550 0.000 0.000 0.330 366 Y C -0.257 175.645 175.900 0.004 0.000 1.100 366 Y CA 0.239 58.318 58.100 -0.035 0.000 1.034 366 Y CB 1.749 40.134 38.460 -0.126 0.000 1.285 366 Y HN 0.447 nan 8.280 nan 0.000 0.440 367 G N 4.638 113.178 108.800 -0.433 0.000 2.465 367 G HA2 0.054 4.014 3.960 0.000 0.000 0.681 367 G HA3 0.054 4.014 3.960 0.000 0.000 0.681 367 G C -1.962 172.852 174.900 -0.144 0.000 1.340 367 G CA -0.897 44.091 45.100 -0.186 0.000 0.884 367 G HN 0.561 nan 8.290 nan 0.000 0.650 368 I N 1.687 122.195 120.570 -0.102 0.000 2.293 368 I HA 0.543 4.713 4.170 0.000 0.000 0.299 368 I C 0.893 176.972 176.117 -0.064 0.000 1.153 368 I CA 0.237 61.481 61.300 -0.094 0.000 1.302 368 I CB -0.466 37.471 38.000 -0.106 0.000 1.460 368 I HN 1.140 nan 8.210 nan 0.000 0.552 369 A N 4.806 127.600 122.820 -0.043 0.000 2.574 369 A HA 0.817 5.137 4.320 0.000 0.000 0.297 369 A C -0.194 177.386 177.584 -0.007 0.000 1.062 369 A CA -0.682 51.341 52.037 -0.023 0.000 0.686 369 A CB 1.295 20.288 19.000 -0.012 0.000 1.285 369 A HN 0.638 nan 8.150 nan 0.000 0.403 370 A N 0.241 123.064 122.820 0.006 0.000 2.546 370 A HA 0.499 4.819 4.320 0.000 0.000 0.243 370 A C 1.605 179.195 177.584 0.011 0.000 1.063 370 A CA 1.284 53.331 52.037 0.017 0.000 0.757 370 A CB -0.559 18.457 19.000 0.026 0.000 0.991 370 A HN 2.865 nan 8.150 nan 0.000 0.503 371 G N 2.246 111.053 108.800 0.011 0.000 2.279 371 G HA2 -0.224 3.736 3.960 0.000 0.000 0.223 371 G HA3 -0.224 3.736 3.960 0.000 0.000 0.223 371 G C 0.306 175.210 174.900 0.007 0.000 1.015 371 G CA 0.206 45.312 45.100 0.009 0.000 0.621 371 G HN 0.834 nan 8.290 nan 0.000 0.506 372 N N 1.245 119.947 118.700 0.003 0.000 2.467 372 N HA 0.547 5.287 4.740 0.000 0.000 0.262 372 N C 0.522 176.030 175.510 -0.003 0.000 1.234 372 N CA 0.224 53.274 53.050 0.001 0.000 0.952 372 N CB 0.972 39.453 38.487 -0.010 0.000 1.158 372 N HN 0.289 nan 8.380 nan 0.000 0.463 373 S N 0.334 116.035 115.700 0.001 0.000 2.568 373 S HA 0.185 4.655 4.470 0.000 0.000 0.282 373 S C 0.345 174.934 174.600 -0.018 0.000 1.338 373 S CA -0.611 57.587 58.200 -0.003 0.000 1.045 373 S CB 0.409 63.614 63.200 0.008 0.000 0.873 373 S HN 0.602 nan 8.310 nan 0.000 0.516 374 A N 3.627 126.436 122.820 -0.019 0.000 3.026 374 A HA 0.246 4.566 4.320 0.000 0.000 0.272 374 A C -0.158 177.406 177.584 -0.034 0.000 1.782 374 A CA -0.560 51.460 52.037 -0.028 0.000 1.451 374 A CB -0.763 18.226 19.000 -0.019 0.000 1.081 374 A HN 0.614 nan 8.150 nan 0.000 0.611 375 N N 1.572 120.243 118.700 -0.048 0.000 2.476 375 N HA 0.658 5.398 4.740 0.000 0.000 0.257 375 N C -0.857 174.595 175.510 -0.097 0.000 0.970 375 N CA -0.261 52.759 53.050 -0.050 0.000 0.938 375 N CB 1.644 40.119 38.487 -0.020 0.000 1.144 375 N HN 0.533 nan 8.380 nan 0.000 0.500 376 L N -0.740 120.435 121.223 -0.081 0.000 2.775 376 L HA 0.743 5.083 4.340 0.000 0.000 0.263 376 L C -0.945 175.878 176.870 -0.078 0.000 1.017 376 L CA -1.179 53.594 54.840 -0.112 0.000 0.891 376 L CB 1.316 43.314 42.059 -0.102 0.000 1.482 376 L HN 0.401 nan 8.230 nan 0.000 0.410 377 I N -1.142 119.359 120.570 -0.114 0.000 2.934 377 I HA 0.772 4.943 4.170 0.000 0.000 0.306 377 I C -1.243 174.838 176.117 -0.060 0.000 1.110 377 I CA -0.998 60.254 61.300 -0.080 0.000 1.019 377 I CB 2.428 40.334 38.000 -0.158 0.000 1.227 377 I HN 0.581 nan 8.210 nan 0.000 0.434 378 I N 4.881 125.464 120.570 0.021 0.000 2.389 378 I HA 0.423 4.593 4.170 0.000 0.000 0.288 378 I C -0.740 175.405 176.117 0.046 0.000 0.999 378 I CA -0.586 60.746 61.300 0.053 0.000 1.129 378 I CB 1.879 39.971 38.000 0.155 0.000 1.288 378 I HN 0.390 nan 8.210 nan 0.000 0.444 379 L N 7.915 129.158 121.223 0.034 0.000 2.307 379 L HA 0.464 4.804 4.340 0.000 0.000 0.284 379 L C -2.140 174.767 176.870 0.062 0.000 1.023 379 L CA -1.705 53.167 54.840 0.053 0.000 0.810 379 L CB 1.647 43.747 42.059 0.068 0.000 1.231 379 L HN 0.352 nan 8.230 nan 0.000 0.423 380 P HA 0.223 nan 4.420 nan 0.000 0.225 380 P C -0.814 176.527 177.300 0.068 0.000 1.813 380 P CA 0.152 63.287 63.100 0.058 0.000 1.013 380 P CB 0.449 32.173 31.700 0.040 0.000 1.961 381 A N 1.290 124.157 122.820 0.077 0.000 2.606 381 A HA 0.402 4.722 4.320 0.000 0.000 0.293 381 A C 0.850 178.493 177.584 0.098 0.000 1.082 381 A CA -0.547 51.545 52.037 0.091 0.000 0.685 381 A CB 1.040 20.096 19.000 0.094 0.000 1.284 381 A HN 0.108 nan 8.150 nan 0.000 0.408 382 E N 0.044 120.313 120.200 0.115 0.000 2.158 382 E HA -0.025 4.325 4.350 0.000 0.000 0.191 382 E C 0.085 176.761 176.600 0.126 0.000 0.982 382 E CA 1.439 57.911 56.400 0.119 0.000 0.823 382 E CB -0.008 29.770 29.700 0.129 0.000 0.766 382 E HN 0.730 nan 8.360 nan 0.000 0.468 383 N N -2.981 115.804 118.700 0.141 0.000 3.339 383 N HA 0.093 4.833 4.740 0.000 0.000 0.275 383 N C 0.617 176.206 175.510 0.132 0.000 1.514 383 N CA -0.187 52.944 53.050 0.134 0.000 0.879 383 N CB 0.027 38.609 38.487 0.158 0.000 1.557 383 N HN -0.120 nan 8.380 nan 0.000 0.524 384 G N -0.417 108.447 108.800 0.107 0.000 2.422 384 G HA2 -0.232 3.728 3.960 0.000 0.000 0.218 384 G HA3 -0.232 3.728 3.960 0.000 0.000 0.218 384 G C 0.894 175.846 174.900 0.086 0.000 1.146 384 G CA 0.841 45.994 45.100 0.088 0.000 0.769 384 G HN 0.448 nan 8.290 nan 0.000 0.547 385 F N 1.723 121.641 119.950 -0.054 0.000 2.075 385 F HA -0.095 4.432 4.527 0.000 0.000 0.297 385 F C 2.235 178.059 175.800 0.039 0.000 1.113 385 F CA 2.069 60.031 58.000 -0.063 0.000 1.218 385 F CB -0.220 38.684 39.000 -0.159 0.000 0.984 385 F HN 0.225 nan 8.300 nan 0.000 0.472 386 D N 0.191 120.752 120.400 0.269 0.000 2.117 386 D HA -0.176 4.464 4.640 0.000 0.000 0.197 386 D C 2.227 178.556 176.300 0.048 0.000 0.987 386 D CA 1.502 55.608 54.000 0.177 0.000 0.829 386 D CB -0.400 40.540 40.800 0.233 0.000 0.961 386 D HN 0.334 nan 8.370 nan 0.000 0.460 387 A N 0.646 123.504 122.820 0.063 0.000 1.902 387 A HA -0.115 4.205 4.320 0.000 0.000 0.217 387 A C 2.220 179.812 177.584 0.013 0.000 1.181 387 A CA 1.171 53.243 52.037 0.059 0.000 0.623 387 A CB -0.813 18.250 19.000 0.104 0.000 0.818 387 A HN 0.411 nan 8.150 nan 0.000 0.443 388 L N -0.281 120.924 121.223 -0.031 0.000 2.027 388 L HA -0.108 4.232 4.340 0.000 0.000 0.206 388 L C 2.477 179.295 176.870 -0.087 0.000 1.074 388 L CA 2.365 57.175 54.840 -0.050 0.000 0.745 388 L CB -0.983 41.030 42.059 -0.077 0.000 0.898 388 L HN 0.553 nan 8.230 nan 0.000 0.433 389 R N -0.062 120.300 120.500 -0.230 0.000 2.091 389 R HA -0.166 4.174 4.340 0.000 0.000 0.238 389 R C 2.113 178.356 176.300 -0.094 0.000 1.136 389 R CA 1.656 57.631 56.100 -0.207 0.000 0.959 389 R CB -0.081 30.007 30.300 -0.354 0.000 0.856 389 R HN 0.364 nan 8.270 nan 0.000 0.437 390 R N 0.182 120.641 120.500 -0.069 0.000 2.317 390 R HA 0.074 4.414 4.340 0.000 0.000 0.208 390 R C -0.090 176.157 176.300 -0.087 0.000 0.914 390 R CA -0.043 56.019 56.100 -0.065 0.000 1.060 390 R CB 0.437 30.738 30.300 0.002 0.000 1.015 390 R HN 0.235 nan 8.270 nan 0.000 0.498 391 Q N 0.552 120.307 119.800 -0.076 0.000 2.439 391 Q HA -0.130 4.210 4.340 0.000 0.000 0.325 391 Q C -0.063 175.905 176.000 -0.054 0.000 1.372 391 Q CA 1.028 56.781 55.803 -0.083 0.000 0.909 391 Q CB -2.082 26.567 28.738 -0.148 0.000 1.167 391 Q HN 0.346 nan 8.270 nan 0.000 0.418 392 V N -1.068 118.841 119.914 -0.008 0.000 2.963 392 V HA 0.534 4.654 4.120 0.000 0.000 0.306 392 V C -1.024 175.088 176.094 0.031 0.000 1.077 392 V CA -1.030 61.278 62.300 0.014 0.000 1.124 392 V CB 0.537 32.386 31.823 0.044 0.000 0.987 392 V HN 0.181 nan 8.190 nan 0.000 0.487 393 P HA 0.361 nan 4.420 nan 0.000 0.282 393 P C -0.736 176.599 177.300 0.059 0.000 1.287 393 P CA -0.569 62.547 63.100 0.027 0.000 0.792 393 P CB 1.198 32.892 31.700 -0.011 0.000 1.163 394 V N 1.996 121.951 119.914 0.069 0.000 2.368 394 V HA 0.124 4.244 4.120 0.000 0.000 0.266 394 V C 2.047 178.130 176.094 -0.018 0.000 1.045 394 V CA -0.002 62.340 62.300 0.069 0.000 0.899 394 V CB 0.345 32.237 31.823 0.114 0.000 1.006 394 V HN 0.568 nan 8.190 nan 0.000 0.470 395 R N 4.659 125.127 120.500 -0.052 0.000 2.073 395 R HA -0.025 4.315 4.340 0.000 0.000 0.234 395 R C -0.309 175.723 176.300 -0.447 0.000 1.134 395 R CA 1.692 57.655 56.100 -0.229 0.000 0.952 395 R CB 0.023 30.235 30.300 -0.146 0.000 0.850 395 R HN 0.632 nan 8.270 nan 0.000 0.433 396 Y N -1.880 118.435 120.300 0.025 0.000 2.513 396 Y HA 0.383 4.933 4.550 0.000 0.000 0.340 396 Y C -0.876 175.034 175.900 0.017 0.000 1.055 396 Y CA -0.998 57.117 58.100 0.024 0.000 1.020 396 Y CB 2.334 40.804 38.460 0.017 0.000 1.301 396 Y HN -0.135 nan 8.280 nan 0.000 0.453 397 S N 2.306 118.127 115.700 0.202 0.000 2.552 397 S HA 0.772 5.242 4.470 0.000 0.000 0.314 397 S C -1.555 173.116 174.600 0.118 0.000 1.099 397 S CA -0.483 57.791 58.200 0.123 0.000 1.070 397 S CB 0.652 63.922 63.200 0.116 0.000 0.998 397 S HN 0.412 nan 8.310 nan 0.000 0.474 398 V N 5.909 125.862 119.914 0.065 0.000 2.495 398 V HA 0.644 4.764 4.120 0.000 0.000 0.298 398 V C 0.027 176.134 176.094 0.020 0.000 1.031 398 V CA -0.781 61.542 62.300 0.039 0.000 0.871 398 V CB 1.649 33.474 31.823 0.003 0.000 0.988 398 V HN 0.860 nan 8.190 nan 0.000 0.432 399 R N 2.907 123.421 120.500 0.023 0.000 2.538 399 R HA 0.560 4.900 4.340 0.000 0.000 0.292 399 R C 0.692 176.980 176.300 -0.020 0.000 1.008 399 R CA 0.299 56.398 56.100 -0.002 0.000 0.896 399 R CB 1.605 31.907 30.300 0.003 0.000 1.187 399 R HN 1.054 nan 8.270 nan 0.000 0.440 400 G N 2.252 111.036 108.800 -0.027 0.000 2.225 400 G HA2 -0.261 3.699 3.960 0.000 0.000 0.267 400 G HA3 -0.261 3.699 3.960 0.000 0.000 0.267 400 G C 0.767 175.654 174.900 -0.021 0.000 1.024 400 G CA 0.564 45.646 45.100 -0.030 0.000 0.784 400 G HN 1.533 nan 8.290 nan 0.000 0.507 401 G N -1.765 107.025 108.800 -0.016 0.000 2.162 401 G HA2 -0.253 3.707 3.960 0.000 0.000 0.260 401 G HA3 -0.253 3.707 3.960 0.000 0.000 0.260 401 G C 0.209 175.103 174.900 -0.010 0.000 0.976 401 G CA 1.227 46.318 45.100 -0.014 0.000 0.655 401 G HN 1.073 nan 8.290 nan 0.000 0.533 402 K N -0.191 120.209 120.400 0.000 0.000 2.316 402 K HA 0.612 4.932 4.320 0.000 0.000 0.251 402 K C 0.047 176.674 176.600 0.045 0.000 0.934 402 K CA -0.996 55.302 56.287 0.017 0.000 0.802 402 K CB 2.892 35.406 32.500 0.023 0.000 1.171 402 K HN -0.001 nan 8.250 nan 0.000 0.426 403 V N 4.694 124.642 119.914 0.056 0.000 2.479 403 V HA 0.037 4.157 4.120 0.000 0.000 0.281 403 V C 1.120 177.304 176.094 0.150 0.000 1.031 403 V CA 0.244 62.606 62.300 0.103 0.000 1.038 403 V CB 0.070 31.961 31.823 0.113 0.000 0.981 403 V HN 0.740 nan 8.190 nan 0.000 0.478 404 I N 2.167 122.845 120.570 0.180 0.000 4.139 404 I HA 0.756 4.926 4.170 0.000 0.000 0.335 404 I C 0.580 176.811 176.117 0.191 0.000 1.327 404 I CA 0.069 61.516 61.300 0.245 0.000 1.112 404 I CB 0.467 38.690 38.000 0.372 0.000 1.058 404 I HN 0.527 nan 8.210 nan 0.000 0.396 405 A N 1.004 123.923 122.820 0.164 0.000 2.594 405 A HA 0.764 5.084 4.320 0.000 0.000 0.296 405 A C -0.693 176.959 177.584 0.114 0.000 1.061 405 A CA 0.040 52.149 52.037 0.120 0.000 0.689 405 A CB 1.189 20.253 19.000 0.107 0.000 1.280 405 A HN 0.364 nan 8.150 nan 0.000 0.406 406 S N -0.022 115.704 115.700 0.043 0.000 2.537 406 S HA 0.850 5.320 4.470 0.000 0.000 0.270 406 S C -0.902 173.633 174.600 -0.108 0.000 1.142 406 S CA -0.506 57.646 58.200 -0.080 0.000 0.870 406 S CB 1.841 65.000 63.200 -0.069 0.000 1.112 406 S HN 1.086 nan 8.310 nan 0.000 0.466 407 T N 2.297 116.741 114.554 -0.184 0.000 2.840 407 T HA 0.411 4.761 4.350 0.000 0.000 0.287 407 T C -0.971 173.640 174.700 -0.148 0.000 0.991 407 T CA -0.449 61.578 62.100 -0.122 0.000 0.964 407 T CB 1.530 70.350 68.868 -0.080 0.000 0.954 407 T HN 0.726 nan 8.240 nan 0.000 0.438 408 Q N 4.187 123.928 119.800 -0.098 0.000 2.337 408 Q HA 0.287 4.627 4.340 0.000 0.000 0.255 408 Q C -2.247 173.722 176.000 -0.052 0.000 0.997 408 Q CA -1.638 54.120 55.803 -0.075 0.000 0.925 408 Q CB 0.433 29.146 28.738 -0.043 0.000 1.212 408 Q HN 0.302 nan 8.270 nan 0.000 0.436 409 P HA -0.010 nan 4.420 nan 0.000 0.268 409 P C -1.107 176.189 177.300 -0.007 0.000 1.208 409 P CA -0.006 63.081 63.100 -0.022 0.000 0.777 409 P CB 0.594 32.289 31.700 -0.009 0.000 0.875 410 A N 2.651 125.472 122.820 0.000 0.000 2.466 410 A HA 0.132 4.452 4.320 0.000 0.000 0.238 410 A C -0.108 177.491 177.584 0.025 0.000 1.074 410 A CA 0.085 52.129 52.037 0.011 0.000 0.774 410 A CB -0.098 18.910 19.000 0.015 0.000 1.015 410 A HN 0.572 nan 8.150 nan 0.000 0.498 411 Q N 0.652 120.465 119.800 0.023 0.000 2.327 411 Q HA 0.417 4.757 4.340 0.000 0.000 0.270 411 Q C -1.161 174.849 176.000 0.016 0.000 1.022 411 Q CA -0.298 55.515 55.803 0.017 0.000 0.773 411 Q CB 2.005 30.749 28.738 0.010 0.000 1.251 411 Q HN 0.703 nan 8.270 nan 0.000 0.457 412 T N 1.924 116.481 114.554 0.006 0.000 2.794 412 T HA 0.537 4.887 4.350 0.000 0.000 0.280 412 T C -0.315 174.326 174.700 -0.098 0.000 0.987 412 T CA -0.368 61.723 62.100 -0.015 0.000 0.993 412 T CB 1.396 70.280 68.868 0.026 0.000 0.939 412 T HN 0.352 nan 8.240 nan 0.000 0.449 413 T N 2.385 116.855 114.554 -0.140 0.000 2.886 413 T HA 0.615 4.965 4.350 0.000 0.000 0.292 413 T C -0.270 174.163 174.700 -0.444 0.000 1.012 413 T CA -0.760 61.153 62.100 -0.312 0.000 0.982 413 T CB 1.432 70.066 68.868 -0.391 0.000 1.018 413 T HN 0.582 nan 8.240 nan 0.000 0.451 414 V N 0.734 120.370 119.914 -0.463 0.000 2.513 414 V HA 0.657 4.777 4.120 0.000 0.000 0.299 414 V C -1.487 174.307 176.094 -0.500 0.000 1.035 414 V CA -1.077 61.008 62.300 -0.359 0.000 0.889 414 V CB 0.923 32.644 31.823 -0.169 0.000 0.988 414 V HN 0.842 nan 8.190 nan 0.000 0.440 415 Y N 5.297 125.589 120.300 -0.014 0.000 2.700 415 Y HA 0.622 5.172 4.550 0.000 0.000 0.333 415 Y C 0.463 176.357 175.900 -0.010 0.000 1.036 415 Y CA -0.492 57.602 58.100 -0.011 0.000 1.287 415 Y CB 0.528 38.983 38.460 -0.008 0.000 1.132 415 Y HN 0.587 nan 8.280 nan 0.000 0.510 416 L N 0.400 121.655 121.223 0.052 0.000 2.718 416 L HA 0.284 4.624 4.340 0.000 0.000 0.166 416 L C 1.671 178.568 176.870 0.046 0.000 1.893 416 L CA -0.651 54.211 54.840 0.036 0.000 2.845 416 L CB 0.200 42.258 42.059 -0.002 0.000 2.993 416 L HN 0.361 nan 8.230 nan 0.000 0.684 417 E N -0.417 119.798 120.200 0.025 0.000 2.268 417 E HA -0.093 4.257 4.350 0.000 0.000 0.195 417 E C -0.108 176.511 176.600 0.031 0.000 0.995 417 E CA 0.740 57.155 56.400 0.025 0.000 0.836 417 E CB 0.209 29.918 29.700 0.014 0.000 0.763 417 E HN 0.311 nan 8.360 nan 0.000 0.491 418 Q N -0.431 119.386 119.800 0.027 0.000 2.462 418 Q HA 0.362 4.702 4.340 0.000 0.000 0.285 418 Q C -2.707 173.301 176.000 0.014 0.000 1.035 418 Q CA -2.166 53.654 55.803 0.029 0.000 0.799 418 Q CB 1.844 30.588 28.738 0.010 0.000 1.452 418 Q HN -0.111 nan 8.270 nan 0.000 0.404 419 P HA 0.161 nan 4.420 nan 0.000 0.271 419 P C -0.927 176.299 177.300 -0.123 0.000 1.216 419 P CA 0.104 63.154 63.100 -0.083 0.000 0.776 419 P CB 0.675 32.372 31.700 -0.005 0.000 0.881 420 E N 1.597 121.674 120.200 -0.204 0.000 2.275 420 E HA 0.585 4.935 4.350 0.000 0.000 0.270 420 E C -1.292 175.196 176.600 -0.187 0.000 0.882 420 E CA -1.052 55.256 56.400 -0.154 0.000 0.758 420 E CB 1.294 30.920 29.700 -0.123 0.000 1.195 420 E HN 0.413 nan 8.360 nan 0.000 0.419 421 A N 5.121 127.857 122.820 -0.140 0.000 2.401 421 A HA 0.439 4.759 4.320 0.000 0.000 0.259 421 A C -0.421 177.068 177.584 -0.159 0.000 1.103 421 A CA -0.292 51.664 52.037 -0.136 0.000 0.789 421 A CB 0.290 19.238 19.000 -0.087 0.000 1.035 421 A HN 0.528 nan 8.150 nan 0.000 0.491 422 I N 3.044 123.492 120.570 -0.205 0.000 2.389 422 I HA 0.248 4.418 4.170 0.000 0.000 0.288 422 I C -0.303 175.614 176.117 -0.334 0.000 0.999 422 I CA -0.406 60.699 61.300 -0.326 0.000 1.129 422 I CB 1.660 39.372 38.000 -0.480 0.000 1.288 422 I HN 0.840 nan 8.210 nan 0.000 0.444 423 D N 4.654 124.901 120.400 -0.255 0.000 2.469 423 D HA 0.006 4.646 4.640 0.000 0.000 0.213 423 D C 0.191 176.542 176.300 0.084 0.000 1.135 423 D CA -0.373 53.594 54.000 -0.055 0.000 0.834 423 D CB -0.022 40.781 40.800 0.005 0.000 1.009 423 D HN 0.407 nan 8.370 nan 0.000 0.507 424 Y N -0.128 120.176 120.300 0.006 0.000 4.177 424 Y HA -0.281 4.269 4.550 0.000 0.000 0.227 424 Y C -0.050 175.870 175.900 0.033 0.000 1.154 424 Y CA 0.595 58.705 58.100 0.015 0.000 1.887 424 Y CB -2.322 36.144 38.460 0.010 0.000 1.594 424 Y HN 0.084 nan 8.280 nan 0.000 0.668 425 K N 0.853 121.316 120.400 0.104 0.000 2.267 425 K HA 0.653 4.973 4.320 0.000 0.000 0.246 425 K C 0.386 177.023 176.600 0.062 0.000 0.954 425 K CA -1.143 55.203 56.287 0.099 0.000 0.824 425 K CB 2.161 34.712 32.500 0.085 0.000 1.167 425 K HN 0.258 nan 8.250 nan 0.000 0.431 426 R N 0.000 120.542 120.500 0.070 0.000 2.786 426 R HA 0.000 4.340 4.340 0.000 0.000 0.208 426 R CA 0.000 56.128 56.100 0.046 0.000 0.921 426 R CB 0.000 30.333 30.300 0.055 0.000 0.687 426 R HN 0.000 nan 8.270 nan 0.000 0.535