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 1gqk_1_A DATA FIRST_RESID 5 DATA SEQUENCE EDGYDMWLRY QPIADQTLLK TYQKQIRHLH VAGDSPTINA AAAELQRGLS DATA SEQUENCE GLLNKPIVAR DEKLKDYSLV IGTPDNSPLI ASLNLGERLQ ALGAEGYLLE DATA SEQUENCE QTRINKRHVV IVAANSDVGV LYGSFHLLRL IQTQHALEKL SLSSAPRLQH DATA SEQUENCE RVVNHWDNLN RVVERGYAGL SLWDWGSLPN YLAPRYTDYA RINASLGING DATA SEQUENCE TVINNVNADP RVLSDQFLQK IAALADAFRP YGIKMYLSIN FNSPRAFGDV DATA SEQUENCE DTADPLDPRV QQWWKTRAQK IYSYIPDFGG FLVKADSEGQ PGPQGYGRDH DATA SEQUENCE AEGANMLAAA LKPFGGVVFW RAFVYHPDIE DRFRGAYDEF MPLDGKFADN DATA SEQUENCE VILQIKNGPI DFQPREPFSA LFAGMSRTNM MMEFQITQEY FGFATHLAYQ DATA SEQUENCE GPLFEESLKT ETHARGEGST IGNILEGKVF KTRHTGMAGV INPGTDRNWT DATA SEQUENCE GHPFVQSSWY AFGRMAWDHQ ISAATAADEW LRMTFSNQPA FIEPVKQMML DATA SEQUENCE VSREAGVNYR SPLGLTHLYS QGDHYGPAPW TDDLPRADWT AVYYHRASKT DATA SEQUENCE GIGFNRTKTG SNALAQYPEP IAKAWGDLNS VPEDLILWFH HLSWDHRMQS DATA SEQUENCE GRNLWQELVH KYYQGVEQVR AMQRTWDQQE AYVDAARFAQ VKALLQVQER DATA SEQUENCE EAVRWRNSCV LYFQSVAGRP IPANYEQPEH DLEYYKMLAR TTYVPEPWHP DATA SEQUENCE ASSSRVLK 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 5 E HA 0.000 nan 4.350 nan 0.000 0.291 5 E C 0.000 176.627 176.600 0.045 0.000 1.382 5 E CA 0.000 56.413 56.400 0.021 0.000 0.976 5 E CB 0.000 29.709 29.700 0.015 0.000 0.812 6 D N 0.681 121.110 120.400 0.047 0.000 2.402 6 D HA 0.193 2.659 4.640 -3.624 0.000 0.216 6 D C 1.226 177.581 176.300 0.092 0.000 1.128 6 D CA 0.286 54.327 54.000 0.068 0.000 0.833 6 D CB 0.535 41.368 40.800 0.056 0.000 0.971 6 D HN 0.674 nan 8.370 nan 0.000 0.503 7 G N 0.310 109.147 108.800 0.062 0.000 2.184 7 G HA2 -0.466 1.320 3.960 -3.624 0.000 0.264 7 G HA3 -0.466 1.320 3.960 -3.624 0.000 0.264 7 G C 0.723 175.703 174.900 0.134 0.000 0.975 7 G CA 0.471 45.605 45.100 0.056 0.000 0.642 7 G HN 0.390 nan 8.290 nan 0.000 0.536 8 Y N 1.545 121.883 120.300 0.064 0.000 2.224 8 Y HA -0.006 2.374 4.550 -3.618 0.000 0.289 8 Y C 2.183 178.185 175.900 0.171 0.000 1.146 8 Y CA 2.234 60.437 58.100 0.172 0.000 1.182 8 Y CB 0.147 38.644 38.460 0.061 0.000 0.983 8 Y HN 0.310 nan 8.280 nan 0.000 0.524 9 D N -0.136 120.239 120.400 -0.042 0.000 2.355 9 D HA -0.086 2.380 4.640 -3.624 0.000 0.218 9 D C 1.465 177.452 176.300 -0.523 0.000 1.004 9 D CA 0.880 54.719 54.000 -0.268 0.000 0.880 9 D CB 0.046 40.721 40.800 -0.209 0.000 0.911 9 D HN 0.368 nan 8.370 nan 0.000 0.528 10 M N -0.729 118.587 119.600 -0.472 0.000 7.319 10 M HA -0.299 2.007 4.480 -3.624 0.000 0.312 10 M C 1.135 177.112 176.300 -0.538 0.000 0.480 10 M CA 1.954 56.889 55.300 -0.608 0.000 1.311 10 M CB -1.971 29.908 32.600 -1.202 0.000 0.421 10 M HN 0.365 nan 8.290 nan 0.000 0.740 11 W N 1.426 122.494 121.300 -0.387 0.000 3.290 11 W HA 0.591 3.071 4.660 -3.633 0.000 0.287 11 W C 0.653 176.945 176.519 -0.378 0.000 1.288 11 W CA -0.236 56.857 57.345 -0.420 0.000 1.725 11 W CB -0.538 28.707 29.460 -0.359 0.000 1.103 11 W HN 0.277 nan 8.180 nan 0.000 0.670 12 L N 2.801 123.709 121.223 -0.524 0.000 2.783 12 L HA 0.390 2.555 4.340 -3.624 0.000 0.235 12 L C 0.228 176.590 176.870 -0.845 0.000 1.260 12 L CA -0.253 54.215 54.840 -0.619 0.000 1.184 12 L CB -0.310 41.417 42.059 -0.553 0.000 1.472 12 L HN -0.104 nan 8.230 nan 0.000 0.426 13 R N 0.729 120.886 120.500 -0.572 0.000 2.204 13 R HA 0.253 2.419 4.340 -3.624 0.000 0.341 13 R C -1.115 175.024 176.300 -0.268 0.000 1.035 13 R CA -0.521 55.342 56.100 -0.395 0.000 0.887 13 R CB 0.625 30.769 30.300 -0.261 0.000 1.114 13 R HN 0.151 nan 8.270 nan 0.000 0.473 14 Y N 2.422 122.700 120.300 -0.037 0.000 2.821 14 Y HA 0.201 2.578 4.550 -3.623 0.000 0.331 14 Y C 0.342 176.225 175.900 -0.027 0.000 1.251 14 Y CA -0.621 57.462 58.100 -0.029 0.000 1.494 14 Y CB 0.234 38.682 38.460 -0.020 0.000 1.493 14 Y HN 0.327 nan 8.280 nan 0.000 0.496 15 Q N 3.475 123.329 119.800 0.091 0.000 2.257 15 Q HA 0.401 2.567 4.340 -3.624 0.000 0.262 15 Q C -2.400 173.626 176.000 0.044 0.000 0.997 15 Q CA -2.443 53.388 55.803 0.045 0.000 0.873 15 Q CB 1.624 30.365 28.738 0.005 0.000 1.312 15 Q HN 0.213 nan 8.270 nan 0.000 0.450 16 P HA -0.052 nan 4.420 nan 0.000 0.265 16 P C -0.372 176.952 177.300 0.040 0.000 1.193 16 P CA 0.121 63.241 63.100 0.033 0.000 0.765 16 P CB 0.462 32.176 31.700 0.023 0.000 0.823 17 I N 2.581 123.188 120.570 0.063 0.000 2.741 17 I HA -0.099 1.897 4.170 -3.624 0.000 0.288 17 I C 1.884 178.036 176.117 0.059 0.000 1.192 17 I CA 0.453 61.806 61.300 0.088 0.000 1.426 17 I CB -0.247 37.859 38.000 0.177 0.000 1.367 17 I HN 0.468 nan 8.210 nan 0.000 0.563 18 A N 5.818 128.664 122.820 0.043 0.000 1.929 18 A HA -0.114 2.032 4.320 -3.624 0.000 0.216 18 A C 1.098 178.693 177.584 0.020 0.000 1.176 18 A CA 0.644 52.696 52.037 0.024 0.000 0.628 18 A CB -0.223 18.786 19.000 0.016 0.000 0.816 18 A HN 0.755 nan 8.150 nan 0.000 0.444 19 D N 0.281 120.695 120.400 0.024 0.000 2.342 19 D HA 0.074 2.540 4.640 -3.624 0.000 0.260 19 D C 0.724 177.024 176.300 -0.000 0.000 1.278 19 D CA -0.049 53.955 54.000 0.006 0.000 0.910 19 D CB 0.650 41.449 40.800 -0.001 0.000 1.079 19 D HN 0.211 nan 8.370 nan 0.000 0.496 20 Q N 2.264 122.059 119.800 -0.008 0.000 2.124 20 Q HA -0.105 2.061 4.340 -3.624 0.000 0.202 20 Q C 1.786 177.767 176.000 -0.031 0.000 0.977 20 Q CA 1.220 57.015 55.803 -0.013 0.000 0.850 20 Q CB -0.406 28.324 28.738 -0.014 0.000 0.901 20 Q HN 0.523 nan 8.270 nan 0.000 0.429 21 T N 1.828 116.356 114.554 -0.044 0.000 2.708 21 T HA -0.121 2.055 4.350 -3.624 0.000 0.266 21 T C 1.889 176.524 174.700 -0.107 0.000 1.037 21 T CA 1.025 63.085 62.100 -0.066 0.000 1.146 21 T CB -0.302 68.530 68.868 -0.061 0.000 0.865 21 T HN 0.120 nan 8.240 nan 0.000 0.435 22 L N 1.185 122.333 121.223 -0.124 0.000 2.046 22 L HA 0.041 2.207 4.340 -3.624 0.000 0.208 22 L C 2.162 178.874 176.870 -0.264 0.000 1.077 22 L CA 1.392 56.084 54.840 -0.247 0.000 0.747 22 L CB -0.829 41.113 42.059 -0.196 0.000 0.896 22 L HN 0.181 nan 8.230 nan 0.000 0.432 23 L N -0.193 120.998 121.223 -0.054 0.000 2.012 23 L HA -0.257 1.909 4.340 -3.624 0.000 0.210 23 L C 2.448 179.327 176.870 0.016 0.000 1.073 23 L CA 1.955 56.835 54.840 0.067 0.000 0.748 23 L CB -0.783 41.313 42.059 0.061 0.000 0.891 23 L HN 0.266 nan 8.230 nan 0.000 0.431 24 K N -1.302 119.073 120.400 -0.042 0.000 2.063 24 K HA -0.146 2.000 4.320 -3.624 0.000 0.208 24 K C 1.908 178.458 176.600 -0.082 0.000 1.048 24 K CA 1.893 58.147 56.287 -0.055 0.000 0.928 24 K CB -0.461 32.001 32.500 -0.064 0.000 0.713 24 K HN 0.424 nan 8.250 nan 0.000 0.442 25 T N 0.540 115.010 114.554 -0.141 0.000 2.708 25 T HA -0.154 2.021 4.350 -3.624 0.000 0.266 25 T C 1.584 176.222 174.700 -0.102 0.000 1.037 25 T CA 1.347 63.345 62.100 -0.171 0.000 1.146 25 T CB -0.334 68.381 68.868 -0.254 0.000 0.865 25 T HN 0.152 nan 8.240 nan 0.000 0.435 26 Y N 1.878 122.159 120.300 -0.032 0.000 2.181 26 Y HA -0.100 2.277 4.550 -3.623 0.000 0.288 26 Y C 2.711 178.585 175.900 -0.044 0.000 1.146 26 Y CA 0.542 58.627 58.100 -0.024 0.000 1.164 26 Y CB -0.837 37.615 38.460 -0.014 0.000 0.982 26 Y HN 0.324 nan 8.280 nan 0.000 0.515 27 Q N -0.188 119.672 119.800 0.100 0.000 2.124 27 Q HA -0.177 1.988 4.340 -3.624 0.000 0.202 27 Q C 2.058 178.023 176.000 -0.059 0.000 0.977 27 Q CA 1.192 57.000 55.803 0.009 0.000 0.850 27 Q CB -0.043 28.688 28.738 -0.012 0.000 0.901 27 Q HN 0.317 nan 8.270 nan 0.000 0.429 28 K N 0.546 120.886 120.400 -0.101 0.000 2.167 28 K HA -0.089 2.057 4.320 -3.624 0.000 0.203 28 K C 1.913 178.356 176.600 -0.262 0.000 1.052 28 K CA 1.032 57.178 56.287 -0.234 0.000 0.956 28 K CB 0.057 32.397 32.500 -0.268 0.000 0.735 28 K HN 0.346 nan 8.250 nan 0.000 0.451 29 Q N -0.037 119.726 119.800 -0.060 0.000 2.137 29 Q HA 0.062 2.228 4.340 -3.624 0.000 0.198 29 Q C 0.271 176.371 176.000 0.167 0.000 0.960 29 Q CA 0.620 56.486 55.803 0.105 0.000 0.847 29 Q CB 0.427 29.247 28.738 0.138 0.000 0.915 29 Q HN 0.091 nan 8.270 nan 0.000 0.448 30 I N 1.070 121.694 120.570 0.090 0.000 2.460 30 I HA 0.227 2.223 4.170 -3.624 0.000 0.277 30 I C 0.457 176.567 176.117 -0.012 0.000 1.057 30 I CA 0.181 61.520 61.300 0.065 0.000 1.179 30 I CB 0.986 39.007 38.000 0.035 0.000 1.329 30 I HN 0.159 nan 8.210 nan 0.000 0.478 31 R N 2.492 122.969 120.500 -0.039 0.000 2.225 31 R HA 0.193 2.359 4.340 -3.624 0.000 0.194 31 R C -0.225 175.708 176.300 -0.611 0.000 0.957 31 R CA 0.366 56.288 56.100 -0.298 0.000 1.042 31 R CB 0.507 30.631 30.300 -0.293 0.000 1.004 31 R HN 0.568 nan 8.270 nan 0.000 0.509 32 H N -1.274 117.839 119.070 0.072 0.000 2.928 32 H HA 0.384 2.766 4.556 -3.624 0.000 0.371 32 H C -1.699 173.660 175.328 0.052 0.000 1.186 32 H CA -0.934 55.148 56.048 0.057 0.000 1.134 32 H CB 2.142 31.948 29.762 0.073 0.000 1.824 32 H HN -0.173 nan 8.280 nan 0.000 0.554 33 L N 2.119 123.441 121.223 0.166 0.000 2.342 33 L HA 0.296 2.462 4.340 -3.624 0.000 0.276 33 L C -1.298 175.629 176.870 0.095 0.000 0.997 33 L CA -0.324 54.572 54.840 0.093 0.000 0.838 33 L CB 0.669 42.741 42.059 0.021 0.000 1.224 33 L HN 0.708 nan 8.230 nan 0.000 0.416 34 H N 5.313 124.400 119.070 0.028 0.000 2.541 34 H HA 0.613 2.994 4.556 -3.624 0.000 0.316 34 H C -1.635 173.690 175.328 -0.005 0.000 1.043 34 H CA -0.349 55.706 56.048 0.011 0.000 1.232 34 H CB 1.462 31.229 29.762 0.009 0.000 1.406 34 H HN 0.449 nan 8.280 nan 0.000 0.469 35 V N 5.504 125.272 119.914 -0.244 0.000 2.419 35 V HA 0.255 2.200 4.120 -3.624 0.000 0.287 35 V C 0.874 176.860 176.094 -0.180 0.000 1.017 35 V CA -0.166 62.071 62.300 -0.106 0.000 0.844 35 V CB 0.925 32.698 31.823 -0.084 0.000 1.011 35 V HN 0.902 nan 8.190 nan 0.000 0.429 36 A N 3.538 126.333 122.820 -0.042 0.000 1.975 36 A HA 0.413 2.559 4.320 -3.624 0.000 0.215 36 A C 1.466 179.039 177.584 -0.018 0.000 1.170 36 A CA 0.961 52.987 52.037 -0.018 0.000 0.656 36 A CB -0.270 18.792 19.000 0.103 0.000 0.821 36 A HN 0.969 nan 8.150 nan 0.000 0.449 37 G N -0.086 108.709 108.800 -0.009 0.000 2.634 37 G HA2 0.369 2.155 3.960 -3.624 0.000 0.255 37 G HA3 0.369 2.155 3.960 -3.624 0.000 0.255 37 G C -0.044 174.840 174.900 -0.026 0.000 1.205 37 G CA 0.486 45.578 45.100 -0.013 0.000 0.884 37 G HN 0.412 nan 8.290 nan 0.000 0.549 38 D N -2.174 118.213 120.400 -0.021 0.000 2.615 38 D HA 0.037 2.503 4.640 -3.624 0.000 0.274 38 D C 0.899 177.187 176.300 -0.020 0.000 1.512 38 D CA 0.099 54.084 54.000 -0.024 0.000 0.803 38 D CB -0.624 40.164 40.800 -0.020 0.000 1.182 38 D HN 0.477 nan 8.370 nan 0.000 0.473 39 S N 0.071 115.759 115.700 -0.020 0.000 2.589 39 S HA 0.266 2.562 4.470 -3.624 0.000 0.265 39 S C -1.404 173.176 174.600 -0.033 0.000 1.342 39 S CA -0.531 57.657 58.200 -0.019 0.000 1.005 39 S CB 1.452 64.642 63.200 -0.017 0.000 0.909 39 S HN -0.204 nan 8.310 nan 0.000 0.555 40 P HA -0.064 nan 4.420 nan 0.000 0.216 40 P C 1.466 178.704 177.300 -0.103 0.000 1.153 40 P CA 1.482 64.553 63.100 -0.049 0.000 0.858 40 P CB -0.287 31.398 31.700 -0.024 0.000 0.789 41 T N -0.540 113.956 114.554 -0.097 0.000 2.777 41 T HA -0.073 2.103 4.350 -3.624 0.000 0.266 41 T C 1.704 176.324 174.700 -0.134 0.000 1.040 41 T CA 0.887 62.902 62.100 -0.141 0.000 1.141 41 T CB -0.621 68.190 68.868 -0.094 0.000 0.868 41 T HN -0.044 nan 8.240 nan 0.000 0.444 42 I N 2.201 122.718 120.570 -0.089 0.000 2.252 42 I HA -0.109 1.887 4.170 -3.624 0.000 0.245 42 I C 2.144 178.210 176.117 -0.086 0.000 1.102 42 I CA 1.190 62.443 61.300 -0.077 0.000 1.385 42 I CB -1.241 36.730 38.000 -0.049 0.000 1.064 42 I HN 0.215 nan 8.210 nan 0.000 0.414 43 N N 1.430 120.083 118.700 -0.079 0.000 2.149 43 N HA -0.131 2.435 4.740 -3.624 0.000 0.188 43 N C 1.909 177.367 175.510 -0.087 0.000 1.019 43 N CA 1.638 54.647 53.050 -0.069 0.000 0.857 43 N CB -0.289 38.168 38.487 -0.049 0.000 0.997 43 N HN 0.375 nan 8.380 nan 0.000 0.426 44 A N 0.652 123.382 122.820 -0.151 0.000 1.930 44 A HA 0.101 2.246 4.320 -3.624 0.000 0.217 44 A C 2.333 179.838 177.584 -0.132 0.000 1.175 44 A CA 1.723 53.638 52.037 -0.203 0.000 0.627 44 A CB -0.728 17.912 19.000 -0.600 0.000 0.815 44 A HN 0.306 nan 8.150 nan 0.000 0.443 45 A N -0.032 122.696 122.820 -0.153 0.000 1.898 45 A HA 0.189 2.335 4.320 -3.624 0.000 0.216 45 A C 2.508 179.998 177.584 -0.156 0.000 1.181 45 A CA 1.988 53.920 52.037 -0.174 0.000 0.620 45 A CB -1.025 17.885 19.000 -0.149 0.000 0.819 45 A HN 1.010 nan 8.150 nan 0.000 0.442 46 A N -0.031 122.722 122.820 -0.111 0.000 1.883 46 A HA 0.122 2.268 4.320 -3.624 0.000 0.217 46 A C 2.517 180.051 177.584 -0.084 0.000 1.186 46 A CA 2.246 54.229 52.037 -0.091 0.000 0.624 46 A CB -1.074 17.884 19.000 -0.070 0.000 0.822 46 A HN 1.085 nan 8.150 nan 0.000 0.444 47 A N -0.621 122.164 122.820 -0.060 0.000 1.933 47 A HA -0.141 2.005 4.320 -3.624 0.000 0.218 47 A C 1.971 179.528 177.584 -0.046 0.000 1.175 47 A CA 2.129 54.150 52.037 -0.027 0.000 0.628 47 A CB -0.452 18.563 19.000 0.026 0.000 0.814 47 A HN 0.532 nan 8.150 nan 0.000 0.444 48 E N 0.056 120.205 120.200 -0.084 0.000 2.072 48 E HA -0.089 2.087 4.350 -3.624 0.000 0.191 48 E C 1.843 178.286 176.600 -0.262 0.000 0.985 48 E CA 1.109 57.417 56.400 -0.153 0.000 0.801 48 E CB -0.331 29.179 29.700 -0.316 0.000 0.750 48 E HN 0.601 nan 8.360 nan 0.000 0.452 49 L N 0.158 121.236 121.223 -0.242 0.000 2.093 49 L HA -0.152 2.014 4.340 -3.624 0.000 0.208 49 L C 2.725 179.475 176.870 -0.201 0.000 1.085 49 L CA 1.363 56.061 54.840 -0.236 0.000 0.755 49 L CB -0.392 41.560 42.059 -0.178 0.000 0.904 49 L HN 0.252 nan 8.230 nan 0.000 0.435 50 Q N 0.722 120.436 119.800 -0.142 0.000 2.020 50 Q HA -0.250 1.916 4.340 -3.624 0.000 0.202 50 Q C 2.391 178.317 176.000 -0.124 0.000 0.982 50 Q CA 2.153 57.892 55.803 -0.105 0.000 0.838 50 Q CB -0.031 28.669 28.738 -0.063 0.000 0.899 50 Q HN 0.484 nan 8.270 nan 0.000 0.423 51 R N -0.971 119.453 120.500 -0.127 0.000 2.092 51 R HA -0.023 2.143 4.340 -3.624 0.000 0.231 51 R C 2.141 178.271 176.300 -0.284 0.000 1.119 51 R CA 1.419 57.454 56.100 -0.109 0.000 0.970 51 R CB -0.772 29.530 30.300 0.003 0.000 0.864 51 R HN 0.280 nan 8.270 nan 0.000 0.440 52 G N 2.012 110.442 108.800 -0.617 0.000 2.404 52 G HA2 -0.130 1.656 3.960 -3.624 0.000 0.214 52 G HA3 -0.130 1.656 3.960 -3.624 0.000 0.214 52 G C 1.603 176.194 174.900 -0.516 0.000 1.189 52 G CA 0.569 44.969 45.100 -1.168 0.000 0.789 52 G HN 0.159 nan 8.290 nan 0.000 0.533 53 L N 0.886 121.909 121.223 -0.334 0.000 2.046 53 L HA -0.088 2.078 4.340 -3.624 0.000 0.208 53 L C 3.191 179.981 176.870 -0.134 0.000 1.077 53 L CA 1.231 55.951 54.840 -0.200 0.000 0.747 53 L CB -0.468 41.499 42.059 -0.153 0.000 0.896 53 L HN 0.159 nan 8.230 nan 0.000 0.432 54 S N 0.106 115.735 115.700 -0.119 0.000 2.368 54 S HA -0.135 2.161 4.470 -3.624 0.000 0.225 54 S C 2.008 176.584 174.600 -0.041 0.000 1.030 54 S CA 1.318 59.478 58.200 -0.066 0.000 0.999 54 S CB -0.586 62.584 63.200 -0.050 0.000 0.844 54 S HN 0.622 nan 8.310 nan 0.000 0.459 55 G N 1.394 110.171 108.800 -0.038 0.000 2.394 55 G HA2 -0.057 1.729 3.960 -3.624 0.000 0.214 55 G HA3 -0.057 1.729 3.960 -3.624 0.000 0.214 55 G C 1.325 176.241 174.900 0.026 0.000 1.176 55 G CA 0.394 45.509 45.100 0.025 0.000 0.786 55 G HN 0.430 nan 8.290 nan 0.000 0.533 56 L N -0.465 120.759 121.223 0.001 0.000 2.141 56 L HA 0.070 2.236 4.340 -3.624 0.000 0.209 56 L C 2.167 179.033 176.870 -0.007 0.000 1.094 56 L CA 0.315 55.154 54.840 -0.001 0.000 0.763 56 L CB -0.133 41.894 42.059 -0.053 0.000 0.908 56 L HN 0.117 nan 8.230 nan 0.000 0.437 57 L N -0.833 120.375 121.223 -0.026 0.000 2.607 57 L HA 0.120 2.286 4.340 -3.624 0.000 0.228 57 L C 0.738 177.608 176.870 0.001 0.000 1.123 57 L CA 0.174 55.012 54.840 -0.002 0.000 0.890 57 L CB -0.865 41.181 42.059 -0.023 0.000 1.103 57 L HN 0.246 nan 8.230 nan 0.000 0.468 58 N N 1.322 120.021 118.700 -0.002 0.000 2.727 58 N HA -0.260 2.306 4.740 -3.624 0.000 0.249 58 N C -0.375 175.130 175.510 -0.008 0.000 1.048 58 N CA 1.161 54.211 53.050 -0.000 0.000 0.714 58 N CB -0.592 37.899 38.487 0.006 0.000 0.959 58 N HN 0.636 nan 8.380 nan 0.000 0.544 59 K N -2.634 117.756 120.400 -0.017 0.000 2.568 59 K HA 0.595 2.741 4.320 -3.624 0.000 0.273 59 K C -3.370 173.213 176.600 -0.027 0.000 0.951 59 K CA -1.918 54.355 56.287 -0.022 0.000 0.854 59 K CB 1.499 33.981 32.500 -0.030 0.000 1.424 59 K HN -0.182 nan 8.250 nan 0.000 0.427 60 P HA 0.221 nan 4.420 nan 0.000 0.276 60 P C -0.715 176.569 177.300 -0.027 0.000 1.264 60 P CA -0.275 62.813 63.100 -0.020 0.000 0.769 60 P CB 0.236 31.931 31.700 -0.009 0.000 0.840 61 I N 4.635 125.185 120.570 -0.034 0.000 2.389 61 I HA 0.307 2.303 4.170 -3.624 0.000 0.288 61 I C -0.112 175.991 176.117 -0.023 0.000 0.999 61 I CA -0.831 60.449 61.300 -0.034 0.000 1.129 61 I CB 1.762 39.729 38.000 -0.054 0.000 1.288 61 I HN 0.028 nan 8.210 nan 0.000 0.444 62 V N 5.211 125.123 119.914 -0.002 0.000 2.448 62 V HA 0.562 2.508 4.120 -3.624 0.000 0.295 62 V C 0.597 176.688 176.094 -0.004 0.000 1.025 62 V CA -0.927 61.370 62.300 -0.005 0.000 0.859 62 V CB 1.826 33.652 31.823 0.004 0.000 0.988 62 V HN 0.861 nan 8.190 nan 0.000 0.431 63 A N 6.551 129.357 122.820 -0.024 0.000 2.520 63 A HA 0.605 2.751 4.320 -3.624 0.000 0.245 63 A C 0.333 177.885 177.584 -0.054 0.000 1.072 63 A CA 0.135 52.148 52.037 -0.040 0.000 0.761 63 A CB 0.048 19.017 19.000 -0.053 0.000 1.004 63 A HN 0.864 nan 8.150 nan 0.000 0.499 64 R N 1.523 121.971 120.500 -0.087 0.000 2.740 64 R HA 0.422 2.588 4.340 -3.624 0.000 0.273 64 R C -1.798 174.342 176.300 -0.266 0.000 0.998 64 R CA -0.917 55.113 56.100 -0.117 0.000 0.900 64 R CB 1.747 32.010 30.300 -0.061 0.000 1.223 64 R HN 0.658 nan 8.270 nan 0.000 0.466 65 D N 2.505 122.762 120.400 -0.238 0.000 2.477 65 D HA 0.138 2.604 4.640 -3.624 0.000 0.239 65 D C -0.760 175.444 176.300 -0.159 0.000 1.102 65 D CA -0.251 53.552 54.000 -0.328 0.000 0.901 65 D CB 0.538 41.226 40.800 -0.187 0.000 1.026 65 D HN 0.557 nan 8.370 nan 0.000 0.515 66 E N 1.115 121.248 120.200 -0.110 0.000 2.456 66 E HA 0.332 2.508 4.350 -3.624 0.000 0.276 66 E C -0.667 176.011 176.600 0.130 0.000 0.981 66 E CA -1.253 55.157 56.400 0.018 0.000 0.814 66 E CB 1.174 30.868 29.700 -0.010 0.000 1.382 66 E HN 0.016 nan 8.360 nan 0.000 0.459 67 K N 1.373 121.810 120.400 0.061 0.000 2.491 67 K HA 0.000 2.146 4.320 -3.624 0.000 0.279 67 K C -0.166 176.450 176.600 0.027 0.000 1.026 67 K CA -0.413 55.898 56.287 0.040 0.000 1.070 67 K CB 0.271 32.774 32.500 0.005 0.000 0.887 67 K HN 0.501 nan 8.250 nan 0.000 0.481 68 L N 5.050 126.266 121.223 -0.013 0.000 2.601 68 L HA -0.038 2.127 4.340 -3.624 0.000 0.277 68 L C -0.413 176.419 176.870 -0.064 0.000 1.219 68 L CA 1.236 56.037 54.840 -0.065 0.000 0.915 68 L CB 0.097 42.061 42.059 -0.159 0.000 1.160 68 L HN 0.575 nan 8.230 nan 0.000 0.494 69 K N 3.430 123.782 120.400 -0.079 0.000 2.118 69 K HA 0.250 2.395 4.320 -3.624 0.000 0.254 69 K C -0.648 175.956 176.600 0.007 0.000 0.961 69 K CA -1.040 55.185 56.287 -0.105 0.000 0.876 69 K CB 0.931 33.192 32.500 -0.398 0.000 1.077 69 K HN 0.562 nan 8.250 nan 0.000 0.440 70 D N 0.729 121.163 120.400 0.058 0.000 2.443 70 D HA -0.040 2.426 4.640 -3.624 0.000 0.239 70 D C -0.740 175.701 176.300 0.235 0.000 1.136 70 D CA 0.818 54.860 54.000 0.069 0.000 0.879 70 D CB 0.109 40.992 40.800 0.138 0.000 1.195 70 D HN 0.415 nan 8.370 nan 0.000 0.443 71 Y N 0.183 120.592 120.300 0.182 0.000 3.128 71 Y HA -0.239 2.137 4.550 -3.624 0.000 0.187 71 Y C 0.040 176.033 175.900 0.156 0.000 1.597 71 Y CA 0.323 58.506 58.100 0.138 0.000 1.183 71 Y CB -1.838 36.662 38.460 0.067 0.000 1.454 71 Y HN 0.093 nan 8.280 nan 0.000 0.460 72 S N 0.403 116.225 115.700 0.203 0.000 2.578 72 S HA 0.753 3.049 4.470 -3.624 0.000 0.301 72 S C -0.512 174.160 174.600 0.119 0.000 1.091 72 S CA -0.908 57.404 58.200 0.187 0.000 1.032 72 S CB 2.048 65.341 63.200 0.155 0.000 1.064 72 S HN 0.305 nan 8.310 nan 0.000 0.508 73 L N 3.463 124.750 121.223 0.106 0.000 2.264 73 L HA 0.590 2.756 4.340 -3.624 0.000 0.289 73 L C -1.227 175.689 176.870 0.077 0.000 1.044 73 L CA -0.159 54.720 54.840 0.065 0.000 0.807 73 L CB 0.772 42.850 42.059 0.031 0.000 1.192 73 L HN 0.405 nan 8.230 nan 0.000 0.425 74 V N 6.928 126.875 119.914 0.055 0.000 2.384 74 V HA 0.467 2.413 4.120 -3.624 0.000 0.287 74 V C 0.109 176.234 176.094 0.052 0.000 1.020 74 V CA -0.552 61.789 62.300 0.068 0.000 0.850 74 V CB 1.282 33.099 31.823 -0.010 0.000 0.987 74 V HN 0.748 nan 8.190 nan 0.000 0.436 75 I N 2.162 122.774 120.570 0.069 0.000 2.693 75 I HA 1.089 3.085 4.170 -3.624 0.000 0.303 75 I C 0.183 176.327 176.117 0.046 0.000 1.025 75 I CA -0.249 61.072 61.300 0.035 0.000 1.086 75 I CB 2.213 40.212 38.000 -0.002 0.000 1.268 75 I HN 0.805 nan 8.210 nan 0.000 0.440 76 G N 2.807 111.627 108.800 0.032 0.000 2.359 76 G HA2 0.340 2.126 3.960 -3.624 0.000 0.293 76 G HA3 0.340 2.126 3.960 -3.624 0.000 0.293 76 G C -0.883 174.038 174.900 0.036 0.000 1.300 76 G CA -0.238 44.881 45.100 0.032 0.000 0.888 76 G HN 1.028 nan 8.290 nan 0.000 0.541 77 T N -1.811 112.763 114.554 0.033 0.000 2.950 77 T HA 0.730 2.906 4.350 -3.624 0.000 0.288 77 T C -1.826 172.891 174.700 0.028 0.000 1.035 77 T CA -1.384 60.737 62.100 0.035 0.000 1.028 77 T CB 2.524 71.411 68.868 0.032 0.000 1.109 77 T HN 0.198 nan 8.240 nan 0.000 0.514 78 P HA -0.062 nan 4.420 nan 0.000 0.218 78 P C 0.913 178.224 177.300 0.018 0.000 1.148 78 P CA 0.986 64.097 63.100 0.019 0.000 0.822 78 P CB 0.034 31.745 31.700 0.018 0.000 0.784 79 D N -0.975 119.437 120.400 0.019 0.000 2.183 79 D HA -0.093 2.373 4.640 -3.624 0.000 0.203 79 D C 1.253 177.563 176.300 0.017 0.000 0.969 79 D CA 1.214 55.224 54.000 0.017 0.000 0.842 79 D CB -0.427 40.383 40.800 0.017 0.000 0.957 79 D HN 0.389 nan 8.370 nan 0.000 0.484 80 N N -1.235 117.477 118.700 0.020 0.000 2.171 80 N HA -0.013 2.553 4.740 -3.624 0.000 0.212 80 N C -0.416 175.112 175.510 0.030 0.000 1.184 80 N CA -0.197 52.865 53.050 0.020 0.000 0.888 80 N CB 0.760 39.255 38.487 0.014 0.000 1.038 80 N HN -0.176 nan 8.380 nan 0.000 0.517 81 S N 0.483 116.204 115.700 0.034 0.000 2.652 81 S HA 0.450 2.746 4.470 -3.624 0.000 0.252 81 S C -2.223 172.395 174.600 0.029 0.000 1.219 81 S CA -1.310 56.919 58.200 0.050 0.000 1.151 81 S CB 1.138 64.376 63.200 0.062 0.000 1.080 81 S HN -0.156 nan 8.310 nan 0.000 0.481 82 P HA -0.102 nan 4.420 nan 0.000 0.217 82 P C 1.402 178.695 177.300 -0.012 0.000 1.148 82 P CA 0.956 64.061 63.100 0.008 0.000 0.828 82 P CB 0.104 31.811 31.700 0.011 0.000 0.783 83 L N -1.458 119.747 121.223 -0.030 0.000 2.046 83 L HA -0.172 1.994 4.340 -3.624 0.000 0.208 83 L C 2.268 179.109 176.870 -0.048 0.000 1.077 83 L CA 1.240 56.036 54.840 -0.073 0.000 0.747 83 L CB -0.830 41.129 42.059 -0.166 0.000 0.896 83 L HN -0.033 nan 8.230 nan 0.000 0.432 84 I N 0.213 120.769 120.570 -0.024 0.000 2.252 84 I HA -0.217 1.779 4.170 -3.624 0.000 0.245 84 I C 2.838 178.953 176.117 -0.004 0.000 1.102 84 I CA 1.548 62.844 61.300 -0.008 0.000 1.385 84 I CB -1.465 36.543 38.000 0.012 0.000 1.064 84 I HN 0.167 nan 8.210 nan 0.000 0.414 85 A N 0.924 123.744 122.820 -0.001 0.000 1.933 85 A HA -0.213 1.933 4.320 -3.624 0.000 0.218 85 A C 2.507 180.087 177.584 -0.007 0.000 1.175 85 A CA 2.164 54.202 52.037 0.000 0.000 0.628 85 A CB -0.837 18.165 19.000 0.003 0.000 0.814 85 A HN 0.556 nan 8.150 nan 0.000 0.444 86 S N -0.142 115.549 115.700 -0.015 0.000 2.442 86 S HA -0.052 2.244 4.470 -3.624 0.000 0.236 86 S C 1.657 176.245 174.600 -0.020 0.000 1.007 86 S CA 1.297 59.485 58.200 -0.020 0.000 0.965 86 S CB -0.651 62.531 63.200 -0.030 0.000 0.773 86 S HN 0.464 nan 8.310 nan 0.000 0.504 87 L N 1.134 122.346 121.223 -0.019 0.000 2.465 87 L HA 0.114 2.279 4.340 -3.624 0.000 0.224 87 L C 0.206 177.071 176.870 -0.010 0.000 1.145 87 L CA 0.278 55.108 54.840 -0.017 0.000 0.834 87 L CB -1.177 40.874 42.059 -0.014 0.000 0.944 87 L HN 0.368 nan 8.230 nan 0.000 0.451 88 N N -0.252 118.445 118.700 -0.006 0.000 2.705 88 N HA -0.232 2.334 4.740 -3.624 0.000 0.255 88 N C 0.772 176.282 175.510 -0.000 0.000 1.008 88 N CA -0.075 52.973 53.050 -0.003 0.000 0.742 88 N CB -1.139 37.345 38.487 -0.005 0.000 0.906 88 N HN 0.298 nan 8.380 nan 0.000 0.541 89 L N -0.257 120.968 121.223 0.004 0.000 2.201 89 L HA -0.058 2.108 4.340 -3.624 0.000 0.212 89 L C 2.112 178.986 176.870 0.007 0.000 1.105 89 L CA 1.074 55.918 54.840 0.007 0.000 0.775 89 L CB -0.798 41.269 42.059 0.014 0.000 0.913 89 L HN 0.684 nan 8.230 nan 0.000 0.440 90 G N 0.546 109.350 108.800 0.007 0.000 2.634 90 G HA2 -0.486 1.300 3.960 -3.624 0.000 0.309 90 G HA3 -0.486 1.300 3.960 -3.624 0.000 0.309 90 G C 0.798 175.702 174.900 0.006 0.000 1.265 90 G CA 0.799 45.902 45.100 0.005 0.000 0.998 90 G HN 0.384 nan 8.290 nan 0.000 0.551 91 E N -0.069 120.132 120.200 0.003 0.000 2.130 91 E HA -0.212 1.964 4.350 -3.624 0.000 0.196 91 E C 2.569 179.169 176.600 0.001 0.000 0.998 91 E CA 1.607 58.008 56.400 0.001 0.000 0.806 91 E CB -0.118 29.581 29.700 -0.001 0.000 0.738 91 E HN 0.489 nan 8.360 nan 0.000 0.459 92 R N -0.073 120.429 120.500 0.003 0.000 2.091 92 R HA -0.177 1.988 4.340 -3.624 0.000 0.238 92 R C 2.425 178.729 176.300 0.007 0.000 1.136 92 R CA 1.474 57.576 56.100 0.003 0.000 0.959 92 R CB -0.210 30.093 30.300 0.005 0.000 0.856 92 R HN 0.243 nan 8.270 nan 0.000 0.437 93 L N 0.665 121.896 121.223 0.013 0.000 2.095 93 L HA -0.071 2.095 4.340 -3.624 0.000 0.204 93 L C 2.410 179.292 176.870 0.020 0.000 1.080 93 L CA 1.751 56.604 54.840 0.023 0.000 0.759 93 L CB -0.582 41.495 42.059 0.030 0.000 0.914 93 L HN 0.250 nan 8.230 nan 0.000 0.439 94 Q N -0.275 119.533 119.800 0.014 0.000 2.135 94 Q HA -0.217 1.949 4.340 -3.624 0.000 0.204 94 Q C 2.024 178.026 176.000 0.004 0.000 0.981 94 Q CA 1.906 57.715 55.803 0.011 0.000 0.856 94 Q CB -0.284 28.459 28.738 0.008 0.000 0.902 94 Q HN 0.601 nan 8.270 nan 0.000 0.425 95 A N 0.604 123.423 122.820 -0.003 0.000 2.076 95 A HA -0.107 2.039 4.320 -3.624 0.000 0.220 95 A C 1.861 179.433 177.584 -0.021 0.000 1.160 95 A CA 0.984 53.013 52.037 -0.013 0.000 0.653 95 A CB -0.536 18.455 19.000 -0.016 0.000 0.801 95 A HN 0.496 nan 8.150 nan 0.000 0.455 96 L N -1.090 120.125 121.223 -0.013 0.000 2.552 96 L HA 0.177 2.343 4.340 -3.624 0.000 0.227 96 L C 1.570 178.434 176.870 -0.009 0.000 1.146 96 L CA 0.239 55.067 54.840 -0.021 0.000 0.858 96 L CB -1.193 40.862 42.059 -0.006 0.000 0.969 96 L HN 0.616 nan 8.230 nan 0.000 0.451 97 G N 0.175 108.976 108.800 0.000 0.000 2.645 97 G HA2 -0.326 1.460 3.960 -3.624 0.000 0.246 97 G HA3 -0.326 1.460 3.960 -3.624 0.000 0.246 97 G C 0.660 175.581 174.900 0.035 0.000 1.322 97 G CA -0.045 45.058 45.100 0.004 0.000 0.898 97 G HN 0.258 nan 8.290 nan 0.000 0.573 98 A N -0.950 121.891 122.820 0.035 0.000 2.168 98 A HA 0.360 2.506 4.320 -3.624 0.000 0.215 98 A C 1.730 179.382 177.584 0.114 0.000 1.152 98 A CA 2.132 54.207 52.037 0.063 0.000 0.716 98 A CB -0.182 18.848 19.000 0.050 0.000 0.794 98 A HN 0.698 nan 8.150 nan 0.000 0.465 99 E N -1.200 119.083 120.200 0.138 0.000 2.676 99 E HA 0.174 2.349 4.350 -3.624 0.000 0.225 99 E C 0.910 177.766 176.600 0.428 0.000 0.944 99 E CA 0.019 56.601 56.400 0.305 0.000 1.156 99 E CB 0.755 30.633 29.700 0.296 0.000 1.117 99 E HN 0.459 nan 8.360 nan 0.000 0.523 100 G N 0.843 109.783 108.800 0.234 0.000 2.588 100 G HA2 0.415 2.201 3.960 -3.624 0.000 0.281 100 G HA3 0.415 2.201 3.960 -3.624 0.000 0.281 100 G C -0.714 174.357 174.900 0.285 0.000 1.236 100 G CA -0.164 45.053 45.100 0.194 0.000 0.969 100 G HN 0.138 nan 8.290 nan 0.000 0.504 101 Y N -2.577 117.859 120.300 0.226 0.000 2.677 101 Y HA 0.669 3.042 4.550 -3.628 0.000 0.334 101 Y C -1.633 174.342 175.900 0.125 0.000 1.196 101 Y CA -1.784 56.416 58.100 0.167 0.000 1.059 101 Y CB 1.476 40.049 38.460 0.189 0.000 1.315 101 Y HN 0.620 nan 8.280 nan 0.000 0.455 102 L N 2.944 124.340 121.223 0.289 0.000 2.356 102 L HA 0.711 2.876 4.340 -3.624 0.000 0.277 102 L C -1.779 175.214 176.870 0.204 0.000 0.996 102 L CA -0.955 53.994 54.840 0.182 0.000 0.822 102 L CB 1.653 43.770 42.059 0.096 0.000 1.256 102 L HN 0.755 nan 8.230 nan 0.000 0.413 103 L N 4.902 126.223 121.223 0.163 0.000 2.298 103 L HA 0.653 2.819 4.340 -3.624 0.000 0.284 103 L C -0.546 176.350 176.870 0.045 0.000 1.013 103 L CA -0.397 54.489 54.840 0.077 0.000 0.824 103 L CB 1.597 43.659 42.059 0.005 0.000 1.221 103 L HN 0.676 nan 8.230 nan 0.000 0.418 104 E N 2.827 123.049 120.200 0.038 0.000 2.321 104 E HA 0.153 2.328 4.350 -3.624 0.000 0.281 104 E C -1.429 175.191 176.600 0.033 0.000 0.910 104 E CA -0.635 55.785 56.400 0.034 0.000 0.770 104 E CB 2.207 31.927 29.700 0.032 0.000 1.225 104 E HN 0.549 nan 8.360 nan 0.000 0.417 105 Q N 2.981 122.806 119.800 0.040 0.000 2.296 105 Q HA 0.319 2.484 4.340 -3.624 0.000 0.262 105 Q C -0.809 175.212 176.000 0.034 0.000 0.981 105 Q CA 0.489 56.321 55.803 0.049 0.000 0.905 105 Q CB 1.285 30.064 28.738 0.069 0.000 1.186 105 Q HN 0.607 nan 8.270 nan 0.000 0.399 106 T N 2.481 117.047 114.554 0.019 0.000 2.630 106 T HA 0.561 2.737 4.350 -3.624 0.000 0.300 106 T C -1.662 173.012 174.700 -0.044 0.000 1.261 106 T CA -0.738 61.358 62.100 -0.007 0.000 1.060 106 T CB 1.040 69.902 68.868 -0.009 0.000 1.670 106 T HN 0.546 nan 8.240 nan 0.000 0.473 107 R N 0.893 121.349 120.500 -0.072 0.000 2.686 107 R HA 0.681 2.847 4.340 -3.624 0.000 0.286 107 R C -1.136 175.103 176.300 -0.102 0.000 0.969 107 R CA -0.612 55.413 56.100 -0.125 0.000 0.898 107 R CB 1.168 31.372 30.300 -0.161 0.000 1.183 107 R HN 0.617 nan 8.270 nan 0.000 0.456 108 I N 2.663 123.163 120.570 -0.116 0.000 2.468 108 I HA 0.181 2.176 4.170 -3.624 0.000 0.285 108 I C -0.348 175.704 176.117 -0.108 0.000 1.039 108 I CA -0.798 60.441 61.300 -0.100 0.000 1.074 108 I CB 1.605 39.545 38.000 -0.101 0.000 1.228 108 I HN 0.506 nan 8.210 nan 0.000 0.436 109 N N 6.719 125.364 118.700 -0.091 0.000 2.705 109 N HA -0.205 2.361 4.740 -3.624 0.000 0.255 109 N C 0.260 175.711 175.510 -0.098 0.000 1.008 109 N CA 0.712 53.712 53.050 -0.082 0.000 0.742 109 N CB -0.660 37.783 38.487 -0.073 0.000 0.906 109 N HN 0.730 nan 8.380 nan 0.000 0.541 110 K N -3.980 116.348 120.400 -0.122 0.000 3.495 110 K HA -0.265 1.880 4.320 -3.624 0.000 0.315 110 K C 0.217 176.678 176.600 -0.232 0.000 1.301 110 K CA 1.267 57.457 56.287 -0.161 0.000 0.985 110 K CB -0.983 31.451 32.500 -0.111 0.000 1.244 110 K HN 0.412 nan 8.250 nan 0.000 0.433 111 R N 1.162 121.541 120.500 -0.201 0.000 2.357 111 R HA 0.261 2.427 4.340 -3.624 0.000 0.296 111 R C -0.208 175.915 176.300 -0.295 0.000 1.052 111 R CA -0.292 55.682 56.100 -0.211 0.000 0.988 111 R CB 0.353 30.577 30.300 -0.127 0.000 1.025 111 R HN 0.156 nan 8.270 nan 0.000 0.469 112 H N 0.826 119.683 119.070 -0.354 0.000 2.767 112 H HA 0.335 2.716 4.556 -3.624 0.000 0.316 112 H C 0.059 175.233 175.328 -0.258 0.000 1.059 112 H CA 0.052 55.862 56.048 -0.398 0.000 1.461 112 H CB 0.554 29.779 29.762 -0.896 0.000 1.475 112 H HN 0.361 nan 8.280 nan 0.000 0.531 113 V N 0.785 120.683 119.914 -0.026 0.000 3.159 113 V HA 0.681 2.627 4.120 -3.624 0.000 0.308 113 V C -0.910 175.207 176.094 0.039 0.000 1.190 113 V CA -0.988 61.318 62.300 0.009 0.000 1.037 113 V CB 2.194 34.003 31.823 -0.024 0.000 1.060 113 V HN 0.439 nan 8.190 nan 0.000 0.437 114 V N 3.293 123.236 119.914 0.049 0.000 2.487 114 V HA 0.578 2.524 4.120 -3.624 0.000 0.298 114 V C -0.069 176.042 176.094 0.028 0.000 1.028 114 V CA -0.358 61.969 62.300 0.044 0.000 0.860 114 V CB 1.483 33.340 31.823 0.057 0.000 0.991 114 V HN 0.995 nan 8.190 nan 0.000 0.427 115 I N 2.549 123.132 120.570 0.023 0.000 2.577 115 I HA 0.787 2.783 4.170 -3.624 0.000 0.305 115 I C -0.731 175.401 176.117 0.026 0.000 0.986 115 I CA -0.755 60.558 61.300 0.021 0.000 1.189 115 I CB 2.034 40.045 38.000 0.019 0.000 1.355 115 I HN 0.258 nan 8.210 nan 0.000 0.476 116 V N 5.144 125.072 119.914 0.023 0.000 2.284 116 V HA 0.680 2.625 4.120 -3.624 0.000 0.274 116 V C 0.343 176.469 176.094 0.052 0.000 1.023 116 V CA -0.251 62.065 62.300 0.026 0.000 0.808 116 V CB 0.666 32.476 31.823 -0.022 0.000 1.035 116 V HN 0.933 nan 8.190 nan 0.000 0.445 117 A N 4.004 126.879 122.820 0.092 0.000 2.350 117 A HA 1.044 3.189 4.320 -3.624 0.000 0.324 117 A C -0.131 177.537 177.584 0.140 0.000 1.118 117 A CA -0.002 52.090 52.037 0.092 0.000 0.783 117 A CB 1.839 20.881 19.000 0.069 0.000 1.236 117 A HN 1.331 nan 8.150 nan 0.000 0.457 118 A N 0.963 123.852 122.820 0.115 0.000 2.588 118 A HA 0.642 2.788 4.320 -3.624 0.000 0.290 118 A C 0.051 177.688 177.584 0.090 0.000 1.136 118 A CA -0.610 51.510 52.037 0.137 0.000 0.681 118 A CB 0.516 19.621 19.000 0.175 0.000 1.282 118 A HN 0.640 nan 8.150 nan 0.000 0.421 119 N N 0.135 118.887 118.700 0.087 0.000 2.376 119 N HA 0.017 2.582 4.740 -3.624 0.000 0.177 119 N C 0.699 176.242 175.510 0.055 0.000 1.024 119 N CA 1.449 54.536 53.050 0.061 0.000 0.893 119 N CB 0.160 38.679 38.487 0.053 0.000 0.980 119 N HN 0.807 nan 8.380 nan 0.000 0.439 120 S N -0.526 115.214 115.700 0.066 0.000 2.634 120 S HA 0.385 2.681 4.470 -3.624 0.000 0.296 120 S C 0.191 174.810 174.600 0.031 0.000 1.104 120 S CA -0.746 57.483 58.200 0.048 0.000 0.920 120 S CB 2.303 65.537 63.200 0.056 0.000 1.111 120 S HN -0.236 nan 8.310 nan 0.000 0.493 121 D N 1.000 121.405 120.400 0.007 0.000 2.117 121 D HA -0.095 2.371 4.640 -3.624 0.000 0.197 121 D C 2.127 178.386 176.300 -0.069 0.000 0.987 121 D CA 1.743 55.730 54.000 -0.022 0.000 0.829 121 D CB -0.663 40.121 40.800 -0.026 0.000 0.961 121 D HN 0.540 nan 8.370 nan 0.000 0.460 122 V N -1.126 118.731 119.914 -0.094 0.000 2.626 122 V HA -0.004 1.942 4.120 -3.624 0.000 0.252 122 V C 2.249 178.131 176.094 -0.354 0.000 1.067 122 V CA 1.887 64.022 62.300 -0.275 0.000 1.081 122 V CB -1.329 30.338 31.823 -0.260 0.000 0.686 122 V HN 0.127 nan 8.190 nan 0.000 0.468 123 G N 0.462 109.243 108.800 -0.032 0.000 2.418 123 G HA2 -0.167 1.619 3.960 -3.624 0.000 0.217 123 G HA3 -0.167 1.619 3.960 -3.624 0.000 0.217 123 G C 1.545 176.535 174.900 0.149 0.000 1.158 123 G CA 1.294 46.517 45.100 0.207 0.000 0.771 123 G HN 0.459 nan 8.290 nan 0.000 0.545 124 V N 0.753 120.690 119.914 0.039 0.000 2.343 124 V HA -0.141 1.804 4.120 -3.624 0.000 0.247 124 V C 2.666 178.719 176.094 -0.069 0.000 1.051 124 V CA 1.623 63.920 62.300 -0.005 0.000 1.036 124 V CB -0.486 31.327 31.823 -0.016 0.000 0.654 124 V HN 0.360 nan 8.190 nan 0.000 0.451 125 L N -0.606 120.555 121.223 -0.104 0.000 2.017 125 L HA -0.159 2.007 4.340 -3.624 0.000 0.208 125 L C 2.401 179.321 176.870 0.083 0.000 1.073 125 L CA 2.144 56.934 54.840 -0.082 0.000 0.745 125 L CB -0.797 41.197 42.059 -0.109 0.000 0.894 125 L HN 0.322 nan 8.230 nan 0.000 0.432 126 Y N 0.175 120.545 120.300 0.117 0.000 2.181 126 Y HA -0.045 2.337 4.550 -3.614 0.000 0.288 126 Y C 2.598 178.269 175.900 -0.382 0.000 1.146 126 Y CA 0.875 58.992 58.100 0.028 0.000 1.164 126 Y CB -1.626 36.935 38.460 0.169 0.000 0.982 126 Y HN 0.250 nan 8.280 nan 0.000 0.515 127 G N -1.099 107.383 108.800 -0.529 0.000 2.422 127 G HA2 -0.218 1.568 3.960 -3.624 0.000 0.218 127 G HA3 -0.218 1.568 3.960 -3.624 0.000 0.218 127 G C 1.925 176.591 174.900 -0.391 0.000 1.146 127 G CA 1.213 45.705 45.100 -1.013 0.000 0.769 127 G HN 0.393 nan 8.290 nan 0.000 0.547 128 S N 0.606 116.175 115.700 -0.218 0.000 2.356 128 S HA -0.055 2.241 4.470 -3.624 0.000 0.223 128 S C 1.978 176.483 174.600 -0.159 0.000 1.032 128 S CA 0.959 59.039 58.200 -0.199 0.000 1.005 128 S CB -0.388 62.662 63.200 -0.250 0.000 0.867 128 S HN 0.309 nan 8.310 nan 0.000 0.449 129 F N 1.032 120.951 119.950 -0.051 0.000 2.171 129 F HA -0.086 2.275 4.527 -3.610 0.000 0.300 129 F C 2.318 178.125 175.800 0.011 0.000 1.090 129 F CA 1.416 59.421 58.000 0.009 0.000 1.293 129 F CB -0.682 38.339 39.000 0.035 0.000 1.013 129 F HN 0.388 nan 8.300 nan 0.000 0.486 130 H N -0.592 118.459 119.070 -0.031 0.000 2.357 130 H HA -0.140 2.245 4.556 -3.618 0.000 0.301 130 H C 2.451 177.751 175.328 -0.047 0.000 1.082 130 H CA 0.826 56.826 56.048 -0.081 0.000 1.342 130 H CB -0.072 29.594 29.762 -0.160 0.000 1.389 130 H HN 0.142 nan 8.280 nan 0.000 0.511 131 L N 1.129 122.333 121.223 -0.032 0.000 2.012 131 L HA -0.202 1.964 4.340 -3.624 0.000 0.210 131 L C 2.190 179.042 176.870 -0.031 0.000 1.073 131 L CA 1.502 56.295 54.840 -0.078 0.000 0.748 131 L CB -0.837 41.161 42.059 -0.102 0.000 0.891 131 L HN 0.439 nan 8.230 nan 0.000 0.431 132 L N -0.400 120.820 121.223 -0.004 0.000 2.046 132 L HA -0.243 1.922 4.340 -3.624 0.000 0.208 132 L C 2.829 179.758 176.870 0.099 0.000 1.077 132 L CA 1.438 56.289 54.840 0.019 0.000 0.747 132 L CB -0.555 41.542 42.059 0.064 0.000 0.896 132 L HN 0.313 nan 8.230 nan 0.000 0.432 133 R N 0.520 121.119 120.500 0.165 0.000 2.096 133 R HA -0.166 2.000 4.340 -3.624 0.000 0.235 133 R C 2.315 178.707 176.300 0.153 0.000 1.127 133 R CA 1.263 57.468 56.100 0.174 0.000 0.968 133 R CB -0.202 30.202 30.300 0.173 0.000 0.861 133 R HN 0.309 nan 8.270 nan 0.000 0.440 134 L N 0.299 121.603 121.223 0.136 0.000 2.042 134 L HA -0.218 1.948 4.340 -3.624 0.000 0.210 134 L C 2.391 179.352 176.870 0.151 0.000 1.076 134 L CA 1.399 56.318 54.840 0.132 0.000 0.749 134 L CB -0.365 41.732 42.059 0.064 0.000 0.893 134 L HN 0.276 nan 8.230 nan 0.000 0.432 135 I N -0.806 119.751 120.570 -0.021 0.000 2.233 135 I HA -0.267 1.729 4.170 -3.624 0.000 0.243 135 I C 2.580 178.667 176.117 -0.050 0.000 1.093 135 I CA 1.130 62.282 61.300 -0.246 0.000 1.380 135 I CB -0.328 37.374 38.000 -0.496 0.000 1.067 135 I HN 0.298 nan 8.210 nan 0.000 0.413 136 Q N 0.210 120.029 119.800 0.033 0.000 2.181 136 Q HA -0.191 1.975 4.340 -3.624 0.000 0.205 136 Q C 1.796 177.853 176.000 0.096 0.000 0.980 136 Q CA 2.049 57.896 55.803 0.074 0.000 0.862 136 Q CB -0.273 28.525 28.738 0.100 0.000 0.905 136 Q HN 0.612 nan 8.270 nan 0.000 0.429 137 T N -3.038 111.612 114.554 0.159 0.000 3.163 137 T HA 0.123 2.299 4.350 -3.624 0.000 0.252 137 T C 0.073 174.898 174.700 0.210 0.000 1.056 137 T CA -0.285 61.941 62.100 0.210 0.000 0.947 137 T CB 0.251 69.308 68.868 0.315 0.000 1.016 137 T HN 0.221 nan 8.240 nan 0.000 0.554 138 Q N 0.422 120.349 119.800 0.212 0.000 2.468 138 Q HA -0.184 1.982 4.340 -3.624 0.000 0.289 138 Q C -0.957 175.108 176.000 0.108 0.000 1.299 138 Q CA 0.433 56.361 55.803 0.207 0.000 0.838 138 Q CB -2.109 26.686 28.738 0.095 0.000 1.195 138 Q HN 0.776 nan 8.270 nan 0.000 0.456 139 H N -0.569 118.623 119.070 0.204 0.000 2.511 139 H HA 0.575 2.957 4.556 -3.623 0.000 0.346 139 H C 0.341 175.789 175.328 0.201 0.000 1.128 139 H CA 0.379 56.523 56.048 0.159 0.000 1.342 139 H CB 1.077 30.918 29.762 0.131 0.000 1.470 139 H HN 0.388 nan 8.280 nan 0.000 0.546 140 A N 3.220 126.165 122.820 0.209 0.000 2.388 140 A HA 0.179 2.325 4.320 -3.624 0.000 0.257 140 A C 0.779 178.466 177.584 0.171 0.000 1.095 140 A CA -0.382 51.735 52.037 0.133 0.000 0.791 140 A CB 0.148 19.177 19.000 0.048 0.000 1.029 140 A HN 0.863 nan 8.150 nan 0.000 0.489 141 L N 0.377 121.702 121.223 0.171 0.000 2.477 141 L HA 0.100 2.266 4.340 -3.624 0.000 0.220 141 L C 0.841 177.771 176.870 0.100 0.000 1.106 141 L CA 0.112 55.041 54.840 0.149 0.000 0.851 141 L CB -0.260 41.910 42.059 0.185 0.000 0.994 141 L HN 0.748 nan 8.230 nan 0.000 0.462 142 E N 1.699 121.945 120.200 0.077 0.000 2.417 142 E HA -0.060 2.116 4.350 -3.624 0.000 0.261 142 E C 0.289 176.926 176.600 0.061 0.000 1.000 142 E CA 0.324 56.762 56.400 0.064 0.000 0.919 142 E CB 0.215 29.939 29.700 0.040 0.000 0.955 142 E HN -0.025 nan 8.360 nan 0.000 0.455 143 K N 1.679 122.116 120.400 0.061 0.000 3.209 143 K HA -0.241 1.905 4.320 -3.624 0.000 0.289 143 K C -0.081 176.549 176.600 0.050 0.000 1.191 143 K CA 0.437 56.755 56.287 0.052 0.000 0.851 143 K CB -2.135 30.392 32.500 0.044 0.000 1.242 143 K HN 0.532 nan 8.250 nan 0.000 0.480 144 L N 1.209 122.466 121.223 0.056 0.000 2.499 144 L HA 0.156 2.322 4.340 -3.624 0.000 0.273 144 L C 0.219 177.112 176.870 0.038 0.000 1.195 144 L CA 0.989 55.858 54.840 0.048 0.000 0.882 144 L CB 0.898 42.986 42.059 0.048 0.000 1.133 144 L HN 0.206 nan 8.230 nan 0.000 0.483 145 S N 6.088 121.808 115.700 0.033 0.000 2.423 145 S HA 0.601 2.897 4.470 -3.624 0.000 0.213 145 S C -1.333 173.284 174.600 0.029 0.000 1.131 145 S CA -0.721 57.497 58.200 0.030 0.000 1.155 145 S CB -0.045 63.172 63.200 0.028 0.000 1.202 145 S HN 0.793 nan 8.310 nan 0.000 0.441 146 L N 2.394 123.635 121.223 0.030 0.000 2.434 146 L HA 1.032 3.198 4.340 -3.624 0.000 0.260 146 L C -0.643 176.254 176.870 0.045 0.000 0.983 146 L CA -0.406 54.455 54.840 0.035 0.000 0.820 146 L CB 1.908 43.987 42.059 0.034 0.000 1.361 146 L HN 0.423 nan 8.230 nan 0.000 0.410 147 S N 1.282 116.993 115.700 0.018 0.000 2.568 147 S HA 0.940 3.236 4.470 -3.624 0.000 0.293 147 S C -0.574 173.966 174.600 -0.099 0.000 1.089 147 S CA -0.397 57.776 58.200 -0.046 0.000 0.945 147 S CB 1.706 64.885 63.200 -0.035 0.000 1.077 147 S HN 1.159 nan 8.310 nan 0.000 0.485 148 S N -0.027 115.490 115.700 -0.304 0.000 2.550 148 S HA 0.827 3.123 4.470 -3.624 0.000 0.270 148 S C -1.434 173.054 174.600 -0.187 0.000 1.145 148 S CA -0.211 57.886 58.200 -0.171 0.000 0.852 148 S CB 1.360 64.557 63.200 -0.005 0.000 1.119 148 S HN 1.756 nan 8.310 nan 0.000 0.465 149 A N 3.666 126.432 122.820 -0.090 0.000 2.515 149 A HA 0.905 3.051 4.320 -3.624 0.000 0.298 149 A C -3.100 174.083 177.584 -0.669 0.000 1.059 149 A CA -1.597 50.292 52.037 -0.248 0.000 0.698 149 A CB 1.475 20.360 19.000 -0.193 0.000 1.289 149 A HN 0.548 nan 8.150 nan 0.000 0.404 150 P HA 0.308 nan 4.420 nan 0.000 0.275 150 P C -0.117 176.762 177.300 -0.701 0.000 1.228 150 P CA -0.184 61.997 63.100 -1.532 0.000 0.786 150 P CB 0.934 31.716 31.700 -1.531 0.000 0.927 151 R N 0.972 121.156 120.500 -0.527 0.000 2.300 151 R HA 0.276 2.442 4.340 -3.624 0.000 0.199 151 R C 0.402 176.600 176.300 -0.171 0.000 0.920 151 R CA 0.247 56.184 56.100 -0.272 0.000 1.046 151 R CB -0.037 30.143 30.300 -0.200 0.000 0.984 151 R HN 0.438 nan 8.270 nan 0.000 0.493 152 L N -0.189 120.908 121.223 -0.211 0.000 2.381 152 L HA 0.294 2.460 4.340 -3.624 0.000 0.268 152 L C 0.673 177.443 176.870 -0.167 0.000 0.997 152 L CA -0.693 54.065 54.840 -0.138 0.000 0.818 152 L CB 2.342 44.339 42.059 -0.105 0.000 1.310 152 L HN -0.138 nan 8.230 nan 0.000 0.416 153 Q N 0.448 120.165 119.800 -0.139 0.000 2.049 153 Q HA 0.021 2.187 4.340 -3.624 0.000 0.198 153 Q C -0.077 175.756 176.000 -0.279 0.000 0.971 153 Q CA 1.068 56.729 55.803 -0.236 0.000 0.833 153 Q CB 0.265 28.811 28.738 -0.320 0.000 0.896 153 Q HN 0.439 nan 8.270 nan 0.000 0.434 154 H N 0.718 119.830 119.070 0.069 0.000 2.623 154 H HA 0.362 2.740 4.556 -3.630 0.000 0.299 154 H C -0.574 174.743 175.328 -0.019 0.000 1.052 154 H CA -0.143 55.954 56.048 0.083 0.000 1.231 154 H CB 0.524 30.354 29.762 0.112 0.000 1.389 154 H HN 0.076 nan 8.280 nan 0.000 0.469 155 R N 2.484 123.040 120.500 0.094 0.000 2.335 155 R HA 0.377 2.543 4.340 -3.624 0.000 0.302 155 R C -0.626 175.737 176.300 0.105 0.000 1.147 155 R CA -0.548 55.569 56.100 0.028 0.000 1.111 155 R CB 1.903 32.185 30.300 -0.030 0.000 1.122 155 R HN 0.255 nan 8.270 nan 0.000 0.557 156 V N 3.103 123.084 119.914 0.111 0.000 2.769 156 V HA 0.650 2.596 4.120 -3.624 0.000 0.312 156 V C -0.409 175.746 176.094 0.102 0.000 1.061 156 V CA -0.776 61.575 62.300 0.085 0.000 0.931 156 V CB 2.318 34.081 31.823 -0.099 0.000 1.010 156 V HN 0.416 nan 8.190 nan 0.000 0.433 157 V N 3.424 123.371 119.914 0.054 0.000 2.630 157 V HA 0.756 2.702 4.120 -3.624 0.000 0.305 157 V C -0.519 175.505 176.094 -0.116 0.000 1.046 157 V CA -0.703 61.516 62.300 -0.135 0.000 0.934 157 V CB 1.721 33.443 31.823 -0.168 0.000 1.003 157 V HN 0.892 nan 8.190 nan 0.000 0.451 158 N N 1.466 119.987 118.700 -0.300 0.000 2.321 158 N HA 0.521 3.087 4.740 -3.624 0.000 0.299 158 N C -1.058 174.244 175.510 -0.345 0.000 1.048 158 N CA -0.461 52.494 53.050 -0.158 0.000 0.836 158 N CB 1.221 39.626 38.487 -0.137 0.000 1.269 158 N HN 0.836 nan 8.380 nan 0.000 0.486 159 H N 0.864 119.949 119.070 0.026 0.000 2.539 159 H HA 0.200 2.599 4.556 -3.595 0.000 0.332 159 H C -0.293 175.164 175.328 0.214 0.000 1.031 159 H CA -0.407 55.669 56.048 0.046 0.000 1.206 159 H CB 1.424 31.334 29.762 0.246 0.000 1.446 159 H HN 0.473 nan 8.280 nan 0.000 0.496 160 W N 3.322 124.628 121.300 0.010 0.000 1.603 160 W HA 0.142 2.659 4.660 -3.571 0.000 0.392 160 W C -0.529 175.955 176.519 -0.059 0.000 0.661 160 W CA -0.919 56.392 57.345 -0.058 0.000 2.021 160 W CB -0.906 28.441 29.460 -0.189 0.000 1.759 160 W HN 0.462 nan 8.180 nan 0.000 0.334 161 D N 0.991 121.555 120.400 0.274 0.000 2.198 161 D HA 0.109 2.575 4.640 -3.624 0.000 0.245 161 D C 0.405 176.823 176.300 0.196 0.000 1.079 161 D CA -0.098 54.033 54.000 0.218 0.000 0.854 161 D CB 0.857 41.850 40.800 0.322 0.000 1.148 161 D HN -0.092 nan 8.370 nan 0.000 0.456 162 N N 1.303 120.085 118.700 0.137 0.000 2.515 162 N HA 0.198 2.764 4.740 -3.624 0.000 0.279 162 N C 1.270 176.891 175.510 0.184 0.000 1.164 162 N CA -0.453 52.667 53.050 0.117 0.000 0.982 162 N CB 1.167 39.716 38.487 0.103 0.000 1.170 162 N HN 0.309 nan 8.380 nan 0.000 0.474 163 L N 0.778 122.046 121.223 0.075 0.000 2.265 163 L HA -0.166 2.000 4.340 -3.624 0.000 0.215 163 L C 1.632 178.626 176.870 0.207 0.000 1.117 163 L CA 0.811 55.671 54.840 0.033 0.000 0.782 163 L CB -0.468 41.358 42.059 -0.389 0.000 0.914 163 L HN 0.566 nan 8.230 nan 0.000 0.441 164 N N 0.976 119.772 118.700 0.159 0.000 2.550 164 N HA -0.197 2.369 4.740 -3.624 0.000 0.186 164 N C 0.718 176.352 175.510 0.207 0.000 1.110 164 N CA 0.468 53.622 53.050 0.174 0.000 0.912 164 N CB -0.136 38.423 38.487 0.120 0.000 0.968 164 N HN 0.289 nan 8.380 nan 0.000 0.448 165 R N -2.556 118.093 120.500 0.248 0.000 3.804 165 R HA -0.093 2.073 4.340 -3.624 0.000 0.459 165 R C -0.983 175.387 176.300 0.117 0.000 1.009 165 R CA 0.689 56.908 56.100 0.199 0.000 1.210 165 R CB -2.292 28.105 30.300 0.163 0.000 1.860 165 R HN 0.098 nan 8.270 nan 0.000 0.526 166 V N 2.042 122.035 119.914 0.133 0.000 2.498 166 V HA 0.241 2.187 4.120 -3.624 0.000 0.279 166 V C 0.847 176.992 176.094 0.084 0.000 1.048 166 V CA -0.292 62.084 62.300 0.127 0.000 0.967 166 V CB 1.718 33.659 31.823 0.197 0.000 0.988 166 V HN -0.022 nan 8.190 nan 0.000 0.473 167 V N 4.609 124.530 119.914 0.011 0.000 2.432 167 V HA 0.255 2.201 4.120 -3.624 0.000 0.275 167 V C 0.349 176.277 176.094 -0.276 0.000 1.043 167 V CA -0.562 61.682 62.300 -0.093 0.000 0.925 167 V CB 1.368 33.122 31.823 -0.115 0.000 0.985 167 V HN 0.975 nan 8.190 nan 0.000 0.466 168 E N 5.767 125.668 120.200 -0.499 0.000 2.257 168 E HA 0.203 2.379 4.350 -3.624 0.000 0.278 168 E C -0.062 176.213 176.600 -0.543 0.000 1.049 168 E CA -0.548 55.188 56.400 -1.105 0.000 0.876 168 E CB 0.202 29.135 29.700 -1.279 0.000 1.035 168 E HN 0.511 nan 8.360 nan 0.000 0.419 169 R N 1.861 122.027 120.500 -0.555 0.000 3.336 169 R HA -0.141 2.025 4.340 -3.624 0.000 0.260 169 R C -0.567 175.126 176.300 -1.011 0.000 1.032 169 R CA 0.915 56.686 56.100 -0.548 0.000 0.693 169 R CB -2.555 27.698 30.300 -0.078 0.000 1.134 169 R HN 0.604 nan 8.270 nan 0.000 0.433 170 G N 0.120 108.266 108.800 -1.091 0.000 2.605 170 G HA2 0.552 2.338 3.960 -3.624 0.000 0.304 170 G HA3 0.552 2.338 3.960 -3.624 0.000 0.304 170 G C -0.257 174.190 174.900 -0.755 0.000 1.333 170 G CA -0.566 44.070 45.100 -0.774 0.000 0.973 170 G HN 0.212 nan 8.290 nan 0.000 0.507 171 Y N 1.279 121.532 120.300 -0.079 0.000 2.696 171 Y HA 0.477 2.848 4.550 -3.632 0.000 0.260 171 Y C 1.408 177.341 175.900 0.055 0.000 1.165 171 Y CA -0.321 57.765 58.100 -0.023 0.000 1.189 171 Y CB 1.025 39.476 38.460 -0.015 0.000 1.180 171 Y HN 0.644 nan 8.280 nan 0.000 0.538 172 A N -0.451 122.426 122.820 0.094 0.000 2.605 172 A HA 0.689 2.835 4.320 -3.624 0.000 0.292 172 A C 1.032 178.651 177.584 0.057 0.000 1.055 172 A CA 0.212 52.318 52.037 0.116 0.000 0.969 172 A CB -0.321 18.762 19.000 0.139 0.000 1.236 172 A HN 0.531 nan 8.150 nan 0.000 0.534 173 G N -0.685 108.134 108.800 0.030 0.000 2.466 173 G HA2 0.003 1.789 3.960 -3.624 0.000 0.316 173 G HA3 0.003 1.789 3.960 -3.624 0.000 0.316 173 G C -0.506 174.378 174.900 -0.026 0.000 1.270 173 G CA -0.564 44.539 45.100 0.005 0.000 0.982 173 G HN 0.591 nan 8.290 nan 0.000 0.506 174 L N 0.382 121.583 121.223 -0.037 0.000 2.466 174 L HA 0.513 2.679 4.340 -3.624 0.000 0.257 174 L C 1.703 178.503 176.870 -0.117 0.000 1.189 174 L CA 0.072 54.885 54.840 -0.045 0.000 0.813 174 L CB 1.121 43.163 42.059 -0.027 0.000 1.118 174 L HN 0.794 nan 8.230 nan 0.000 0.471 175 S N 0.355 115.980 115.700 -0.126 0.000 2.552 175 S HA 0.038 2.333 4.470 -3.624 0.000 0.289 175 S C 1.172 175.480 174.600 -0.487 0.000 1.304 175 S CA -0.423 57.599 58.200 -0.297 0.000 1.063 175 S CB 0.293 63.404 63.200 -0.149 0.000 0.848 175 S HN 0.499 nan 8.310 nan 0.000 0.499 176 L N 3.533 124.224 121.223 -0.886 0.000 2.191 176 L HA -0.018 2.147 4.340 -3.624 0.000 0.212 176 L C 0.502 177.033 176.870 -0.564 0.000 1.103 176 L CA 0.589 54.933 54.840 -0.826 0.000 0.769 176 L CB -0.240 41.148 42.059 -1.119 0.000 0.908 176 L HN 0.700 nan 8.230 nan 0.000 0.438 177 W N 0.160 121.290 121.300 -0.283 0.000 2.437 177 W HA 0.175 2.654 4.660 -3.636 0.000 0.312 177 W C 0.108 176.195 176.519 -0.720 0.000 1.242 177 W CA -1.053 55.893 57.345 -0.665 0.000 1.340 177 W CB -0.002 28.698 29.460 -1.266 0.000 1.327 177 W HN -0.128 nan 8.180 nan 0.000 0.476 178 D N 3.402 123.715 120.400 -0.144 0.000 2.563 178 D HA 0.092 2.558 4.640 -3.624 0.000 0.222 178 D C 0.543 176.856 176.300 0.021 0.000 1.145 178 D CA -0.465 53.517 54.000 -0.029 0.000 1.001 178 D CB -0.038 40.833 40.800 0.119 0.000 1.049 178 D HN 0.390 nan 8.370 nan 0.000 0.515 179 W N 1.913 123.338 121.300 0.207 0.000 2.350 179 W HA -0.038 2.446 4.660 -3.627 0.000 0.289 179 W C 2.425 178.977 176.519 0.056 0.000 1.215 179 W CA 0.500 57.928 57.345 0.137 0.000 1.236 179 W CB -0.135 29.466 29.460 0.234 0.000 1.130 179 W HN 0.442 nan 8.180 nan 0.000 0.541 180 G N -0.094 108.875 108.800 0.281 0.000 2.448 180 G HA2 -0.258 1.528 3.960 -3.624 0.000 0.219 180 G HA3 -0.258 1.528 3.960 -3.624 0.000 0.219 180 G C 1.418 176.397 174.900 0.130 0.000 1.127 180 G CA 1.389 46.590 45.100 0.168 0.000 0.766 180 G HN 0.329 nan 8.290 nan 0.000 0.552 181 S N -0.933 114.862 115.700 0.159 0.000 2.539 181 S HA 0.423 2.719 4.470 -3.624 0.000 0.221 181 S C 0.639 175.351 174.600 0.187 0.000 0.987 181 S CA -0.549 57.754 58.200 0.173 0.000 0.929 181 S CB 0.112 63.456 63.200 0.240 0.000 0.832 181 S HN 0.131 nan 8.310 nan 0.000 0.492 182 L N 2.254 123.573 121.223 0.160 0.000 2.375 182 L HA 0.406 2.572 4.340 -3.624 0.000 0.271 182 L C -1.608 175.302 176.870 0.067 0.000 1.107 182 L CA -2.224 52.687 54.840 0.118 0.000 0.806 182 L CB 1.277 43.398 42.059 0.104 0.000 1.146 182 L HN -0.026 nan 8.230 nan 0.000 0.447 183 P HA 0.057 nan 4.420 nan 0.000 0.249 183 P C 0.362 177.707 177.300 0.076 0.000 1.229 183 P CA 0.456 63.580 63.100 0.039 0.000 0.788 183 P CB 0.158 31.866 31.700 0.012 0.000 1.072 184 N N -0.480 118.279 118.700 0.099 0.000 2.120 184 N HA -0.178 2.388 4.740 -3.624 0.000 0.188 184 N C 0.367 175.996 175.510 0.199 0.000 1.024 184 N CA 0.968 54.091 53.050 0.121 0.000 0.852 184 N CB -0.927 37.622 38.487 0.103 0.000 1.003 184 N HN 0.177 nan 8.380 nan 0.000 0.424 185 Y N 1.750 122.095 120.300 0.076 0.000 2.454 185 Y HA 0.351 2.728 4.550 -3.622 0.000 0.345 185 Y C -0.730 175.267 175.900 0.162 0.000 0.970 185 Y CA -1.425 56.728 58.100 0.088 0.000 1.204 185 Y CB 0.033 38.531 38.460 0.063 0.000 1.122 185 Y HN -0.043 nan 8.280 nan 0.000 0.514 186 L N 7.233 128.431 121.223 -0.042 0.000 2.387 186 L HA 0.410 2.576 4.340 -3.624 0.000 0.267 186 L C 0.743 177.362 176.870 -0.417 0.000 1.197 186 L CA -0.608 54.196 54.840 -0.061 0.000 1.070 186 L CB -0.408 41.685 42.059 0.056 0.000 1.349 186 L HN 0.729 nan 8.230 nan 0.000 0.422 187 A N 4.035 126.296 122.820 -0.931 0.000 2.511 187 A HA 0.240 2.386 4.320 -3.624 0.000 0.242 187 A C -1.244 176.049 177.584 -0.486 0.000 1.069 187 A CA -0.892 50.457 52.037 -1.147 0.000 0.763 187 A CB 0.115 18.287 19.000 -1.381 0.000 1.001 187 A HN 0.460 nan 8.150 nan 0.000 0.498 188 P HA -0.177 nan 4.420 nan 0.000 0.217 188 P C 1.611 178.944 177.300 0.054 0.000 1.148 188 P CA 1.315 64.409 63.100 -0.010 0.000 0.828 188 P CB 0.068 31.791 31.700 0.039 0.000 0.783 189 R N -1.401 119.067 120.500 -0.052 0.000 2.127 189 R HA -0.187 1.979 4.340 -3.624 0.000 0.238 189 R C 2.049 178.550 176.300 0.336 0.000 1.134 189 R CA 1.324 57.508 56.100 0.140 0.000 0.975 189 R CB -0.571 29.705 30.300 -0.040 0.000 0.865 189 R HN 0.169 nan 8.270 nan 0.000 0.447 190 Y N -0.215 120.259 120.300 0.290 0.000 2.165 190 Y HA -0.169 2.205 4.550 -3.626 0.000 0.286 190 Y C 2.496 178.696 175.900 0.500 0.000 1.155 190 Y CA 1.465 59.831 58.100 0.443 0.000 1.164 190 Y CB -1.011 37.601 38.460 0.253 0.000 0.978 190 Y HN 0.026 nan 8.280 nan 0.000 0.513 191 T N -0.271 114.554 114.554 0.451 0.000 2.821 191 T HA -0.132 2.044 4.350 -3.624 0.000 0.267 191 T C 1.363 176.140 174.700 0.129 0.000 1.046 191 T CA 1.483 63.765 62.100 0.302 0.000 1.139 191 T CB -0.290 68.739 68.868 0.269 0.000 0.871 191 T HN 0.308 nan 8.240 nan 0.000 0.454 192 D N 0.201 120.734 120.400 0.221 0.000 2.178 192 D HA -0.065 2.401 4.640 -3.624 0.000 0.202 192 D C 1.662 177.953 176.300 -0.014 0.000 0.974 192 D CA 0.806 54.875 54.000 0.116 0.000 0.841 192 D CB -0.318 40.641 40.800 0.265 0.000 0.953 192 D HN 0.474 nan 8.370 nan 0.000 0.478 193 Y N 1.640 122.021 120.300 0.135 0.000 2.224 193 Y HA -0.154 2.220 4.550 -3.627 0.000 0.289 193 Y C 2.219 178.047 175.900 -0.119 0.000 1.146 193 Y CA 1.702 59.814 58.100 0.019 0.000 1.182 193 Y CB -0.137 38.591 38.460 0.447 0.000 0.983 193 Y HN -0.061 nan 8.280 nan 0.000 0.524 194 A N 0.615 123.378 122.820 -0.095 0.000 1.897 194 A HA -0.107 2.039 4.320 -3.624 0.000 0.215 194 A C 2.271 179.560 177.584 -0.493 0.000 1.181 194 A CA 1.419 53.278 52.037 -0.298 0.000 0.620 194 A CB -0.548 18.418 19.000 -0.057 0.000 0.821 194 A HN 0.521 nan 8.150 nan 0.000 0.443 195 R N -0.517 119.618 120.500 -0.607 0.000 2.083 195 R HA -0.090 2.076 4.340 -3.624 0.000 0.237 195 R C 1.991 178.050 176.300 -0.402 0.000 1.137 195 R CA 1.695 57.554 56.100 -0.402 0.000 0.951 195 R CB -0.562 29.612 30.300 -0.209 0.000 0.851 195 R HN 0.550 nan 8.270 nan 0.000 0.434 196 I N 1.273 121.516 120.570 -0.545 0.000 2.118 196 I HA -0.356 1.639 4.170 -3.624 0.000 0.241 196 I C 1.985 177.842 176.117 -0.434 0.000 1.070 196 I CA 1.389 62.269 61.300 -0.700 0.000 1.327 196 I CB -0.335 36.997 38.000 -1.113 0.000 1.034 196 I HN 0.228 nan 8.210 nan 0.000 0.405 197 N N 0.691 119.159 118.700 -0.386 0.000 2.188 197 N HA -0.097 2.469 4.740 -3.624 0.000 0.184 197 N C 1.873 177.301 175.510 -0.137 0.000 1.018 197 N CA 1.509 54.459 53.050 -0.167 0.000 0.858 197 N CB -0.272 38.102 38.487 -0.188 0.000 0.989 197 N HN 0.362 nan 8.380 nan 0.000 0.426 198 A N 1.122 123.851 122.820 -0.151 0.000 1.969 198 A HA -0.124 2.022 4.320 -3.624 0.000 0.218 198 A C 2.360 179.700 177.584 -0.407 0.000 1.169 198 A CA 1.782 53.823 52.037 0.007 0.000 0.635 198 A CB -0.667 18.526 19.000 0.322 0.000 0.810 198 A HN 0.442 nan 8.150 nan 0.000 0.445 199 S N -0.293 114.810 115.700 -0.996 0.000 2.440 199 S HA -0.043 2.253 4.470 -3.624 0.000 0.238 199 S C 1.453 175.736 174.600 -0.528 0.000 1.010 199 S CA 1.468 58.890 58.200 -1.297 0.000 0.972 199 S CB -0.464 62.264 63.200 -0.787 0.000 0.774 199 S HN 0.473 nan 8.310 nan 0.000 0.501 200 L N 0.213 121.205 121.223 -0.385 0.000 2.640 200 L HA 0.397 2.563 4.340 -3.624 0.000 0.230 200 L C 1.772 178.405 176.870 -0.394 0.000 1.123 200 L CA 0.285 54.880 54.840 -0.408 0.000 0.900 200 L CB -0.249 41.625 42.059 -0.308 0.000 1.146 200 L HN 0.555 nan 8.230 nan 0.000 0.484 201 G N 0.801 109.371 108.800 -0.383 0.000 2.141 201 G HA2 -0.232 1.554 3.960 -3.624 0.000 0.242 201 G HA3 -0.232 1.554 3.960 -3.624 0.000 0.242 201 G C 0.269 175.090 174.900 -0.132 0.000 0.982 201 G CA -0.454 44.334 45.100 -0.519 0.000 0.662 201 G HN 0.132 nan 8.290 nan 0.000 0.527 202 I N 1.995 122.552 120.570 -0.022 0.000 2.598 202 I HA 0.121 2.117 4.170 -3.624 0.000 0.284 202 I C 0.997 177.220 176.117 0.177 0.000 1.140 202 I CA 0.370 61.719 61.300 0.083 0.000 1.420 202 I CB 0.750 38.821 38.000 0.119 0.000 1.387 202 I HN 0.429 nan 8.210 nan 0.000 0.553 203 N N 4.070 122.903 118.700 0.222 0.000 2.235 203 N HA 0.260 2.826 4.740 -3.624 0.000 0.231 203 N C -0.043 175.671 175.510 0.339 0.000 1.177 203 N CA -0.324 52.910 53.050 0.307 0.000 0.874 203 N CB 1.074 39.759 38.487 0.331 0.000 1.097 203 N HN 0.593 nan 8.380 nan 0.000 0.518 204 G N -1.396 107.593 108.800 0.316 0.000 2.703 204 G HA2 0.502 2.288 3.960 -3.624 0.000 0.294 204 G HA3 0.502 2.288 3.960 -3.624 0.000 0.294 204 G C -1.962 173.132 174.900 0.325 0.000 1.451 204 G CA -0.530 44.826 45.100 0.427 0.000 0.869 204 G HN 0.078 nan 8.290 nan 0.000 0.516 205 T N -0.425 114.382 114.554 0.421 0.000 2.971 205 T HA 0.533 2.709 4.350 -3.624 0.000 0.304 205 T C -1.104 173.845 174.700 0.414 0.000 1.038 205 T CA -0.333 61.993 62.100 0.378 0.000 1.007 205 T CB 1.595 70.709 68.868 0.409 0.000 1.055 205 T HN 0.711 nan 8.240 nan 0.000 0.451 206 V N 7.746 127.870 119.914 0.350 0.000 2.333 206 V HA 0.329 2.275 4.120 -3.624 0.000 0.274 206 V C 1.538 177.870 176.094 0.397 0.000 1.028 206 V CA -0.515 61.994 62.300 0.348 0.000 0.851 206 V CB 0.624 32.620 31.823 0.289 0.000 1.000 206 V HN 0.902 nan 8.190 nan 0.000 0.456 207 I N 1.630 122.383 120.570 0.304 0.000 3.419 207 I HA 0.222 2.218 4.170 -3.624 0.000 0.286 207 I C 0.711 177.077 176.117 0.415 0.000 1.268 207 I CA 0.276 61.729 61.300 0.255 0.000 1.414 207 I CB -0.042 37.803 38.000 -0.259 0.000 1.074 207 I HN 0.675 nan 8.210 nan 0.000 0.457 208 N N 1.248 120.154 118.700 0.344 0.000 2.312 208 N HA 0.194 2.760 4.740 -3.624 0.000 0.296 208 N C -0.958 174.708 175.510 0.260 0.000 1.193 208 N CA -0.733 52.500 53.050 0.306 0.000 0.773 208 N CB 0.674 39.282 38.487 0.201 0.000 1.435 208 N HN -0.052 nan 8.380 nan 0.000 0.484 209 N N 0.048 118.864 118.700 0.194 0.000 2.412 209 N HA -0.057 2.509 4.740 -3.624 0.000 0.254 209 N C 1.530 177.048 175.510 0.014 0.000 1.232 209 N CA -0.042 53.066 53.050 0.097 0.000 0.880 209 N CB 0.830 39.315 38.487 -0.003 0.000 1.076 209 N HN 0.500 nan 8.380 nan 0.000 0.458 210 V N 0.687 120.542 119.914 -0.098 0.000 2.626 210 V HA -0.044 1.902 4.120 -3.624 0.000 0.252 210 V C 0.575 176.591 176.094 -0.130 0.000 1.067 210 V CA 1.064 63.295 62.300 -0.115 0.000 1.081 210 V CB -0.510 31.195 31.823 -0.196 0.000 0.686 210 V HN 0.497 nan 8.190 nan 0.000 0.468 211 N N 2.654 121.246 118.700 -0.180 0.000 2.739 211 N HA 0.512 3.078 4.740 -3.624 0.000 0.266 211 N C 0.038 175.515 175.510 -0.056 0.000 1.168 211 N CA 0.706 53.692 53.050 -0.106 0.000 1.055 211 N CB 0.734 39.149 38.487 -0.120 0.000 1.393 211 N HN 0.705 nan 8.380 nan 0.000 0.514 212 A N 1.031 123.833 122.820 -0.031 0.000 2.327 212 A HA 0.191 2.337 4.320 -3.624 0.000 0.283 212 A C 0.189 177.760 177.584 -0.021 0.000 1.127 212 A CA -0.555 51.473 52.037 -0.015 0.000 0.810 212 A CB 0.633 19.637 19.000 0.006 0.000 1.066 212 A HN 0.369 nan 8.150 nan 0.000 0.492 213 D N 2.948 123.318 120.400 -0.051 0.000 2.274 213 D HA 0.292 2.758 4.640 -3.624 0.000 0.239 213 D C -1.530 174.711 176.300 -0.098 0.000 1.104 213 D CA -1.684 52.256 54.000 -0.100 0.000 0.840 213 D CB 1.531 42.227 40.800 -0.174 0.000 1.100 213 D HN 0.244 nan 8.370 nan 0.000 0.477 214 P HA -0.082 nan 4.420 nan 0.000 0.225 214 P C 1.049 178.347 177.300 -0.004 0.000 1.148 214 P CA 0.469 63.586 63.100 0.028 0.000 0.779 214 P CB 0.465 32.169 31.700 0.007 0.000 0.780 215 R N 0.338 120.706 120.500 -0.220 0.000 2.152 215 R HA -0.067 2.099 4.340 -3.624 0.000 0.232 215 R C 2.259 178.399 176.300 -0.266 0.000 1.117 215 R CA 1.430 57.350 56.100 -0.299 0.000 0.981 215 R CB -0.988 28.986 30.300 -0.543 0.000 0.870 215 R HN 0.222 nan 8.270 nan 0.000 0.451 216 V N -1.340 118.396 119.914 -0.298 0.000 2.720 216 V HA -0.119 1.827 4.120 -3.624 0.000 0.256 216 V C 1.625 177.716 176.094 -0.006 0.000 1.082 216 V CA 1.558 63.730 62.300 -0.213 0.000 1.101 216 V CB -0.509 31.218 31.823 -0.161 0.000 0.693 216 V HN 0.226 nan 8.190 nan 0.000 0.479 217 L N 1.661 122.945 121.223 0.102 0.000 2.592 217 L HA 0.228 2.394 4.340 -3.624 0.000 0.227 217 L C 1.407 178.371 176.870 0.156 0.000 1.127 217 L CA 0.449 55.346 54.840 0.093 0.000 0.884 217 L CB -0.246 41.851 42.059 0.063 0.000 1.065 217 L HN 0.549 nan 8.230 nan 0.000 0.457 218 S N -1.886 114.016 115.700 0.336 0.000 2.603 218 S HA 0.022 2.318 4.470 -3.624 0.000 0.268 218 S C 0.762 175.433 174.600 0.120 0.000 1.317 218 S CA -0.515 57.893 58.200 0.346 0.000 1.012 218 S CB 1.705 65.090 63.200 0.309 0.000 0.926 218 S HN 0.195 nan 8.310 nan 0.000 0.539 219 D N 0.683 121.135 120.400 0.087 0.000 2.116 219 D HA -0.243 2.223 4.640 -3.624 0.000 0.193 219 D C 2.039 178.286 176.300 -0.089 0.000 0.998 219 D CA 2.012 56.013 54.000 0.000 0.000 0.836 219 D CB -0.146 40.700 40.800 0.077 0.000 0.951 219 D HN 0.782 nan 8.370 nan 0.000 0.449 220 Q N -1.065 118.714 119.800 -0.034 0.000 2.096 220 Q HA -0.229 1.937 4.340 -3.624 0.000 0.208 220 Q C 1.819 177.630 176.000 -0.314 0.000 0.993 220 Q CA 1.712 57.426 55.803 -0.150 0.000 0.862 220 Q CB -0.244 28.420 28.738 -0.123 0.000 0.915 220 Q HN 0.412 nan 8.270 nan 0.000 0.416 221 F N -0.092 119.757 119.950 -0.169 0.000 2.335 221 F HA -0.006 2.347 4.527 -3.624 0.000 0.296 221 F C 1.995 177.647 175.800 -0.247 0.000 1.091 221 F CA 0.434 58.296 58.000 -0.231 0.000 1.399 221 F CB 0.015 38.814 39.000 -0.335 0.000 1.067 221 F HN 0.052 nan 8.300 nan 0.000 0.520 222 L N -0.304 120.804 121.223 -0.193 0.000 2.079 222 L HA -0.273 1.893 4.340 -3.624 0.000 0.210 222 L C 2.343 178.815 176.870 -0.662 0.000 1.081 222 L CA 1.403 55.971 54.840 -0.454 0.000 0.752 222 L CB -0.750 40.929 42.059 -0.634 0.000 0.896 222 L HN 0.232 nan 8.230 nan 0.000 0.433 223 Q N -0.015 119.407 119.800 -0.631 0.000 2.124 223 Q HA -0.213 1.953 4.340 -3.624 0.000 0.202 223 Q C 2.204 178.097 176.000 -0.178 0.000 0.977 223 Q CA 1.437 57.007 55.803 -0.388 0.000 0.850 223 Q CB -0.012 28.606 28.738 -0.201 0.000 0.901 223 Q HN 0.520 nan 8.270 nan 0.000 0.429 224 K N 0.367 120.694 120.400 -0.121 0.000 2.031 224 K HA -0.055 2.090 4.320 -3.624 0.000 0.205 224 K C 2.012 178.638 176.600 0.043 0.000 1.049 224 K CA 0.951 57.254 56.287 0.027 0.000 0.939 224 K CB -0.056 32.567 32.500 0.205 0.000 0.717 224 K HN 0.138 nan 8.250 nan 0.000 0.438 225 I N 1.484 122.095 120.570 0.068 0.000 2.361 225 I HA -0.264 1.732 4.170 -3.624 0.000 0.251 225 I C 2.463 178.515 176.117 -0.109 0.000 1.133 225 I CA 0.964 62.274 61.300 0.016 0.000 1.413 225 I CB -0.305 37.727 38.000 0.052 0.000 1.073 225 I HN 0.157 nan 8.210 nan 0.000 0.424 226 A N 0.572 123.326 122.820 -0.112 0.000 1.969 226 A HA -0.106 2.040 4.320 -3.624 0.000 0.218 226 A C 2.520 180.046 177.584 -0.097 0.000 1.169 226 A CA 1.638 53.632 52.037 -0.072 0.000 0.635 226 A CB -0.665 18.334 19.000 -0.001 0.000 0.810 226 A HN 0.421 nan 8.150 nan 0.000 0.445 227 A N -0.278 122.469 122.820 -0.122 0.000 1.930 227 A HA 0.042 2.188 4.320 -3.624 0.000 0.217 227 A C 2.125 179.539 177.584 -0.284 0.000 1.175 227 A CA 1.310 53.266 52.037 -0.137 0.000 0.627 227 A CB -0.480 18.463 19.000 -0.096 0.000 0.815 227 A HN 0.468 nan 8.150 nan 0.000 0.443 228 L N -0.846 120.098 121.223 -0.465 0.000 2.027 228 L HA -0.151 2.014 4.340 -3.624 0.000 0.206 228 L C 3.116 179.406 176.870 -0.966 0.000 1.074 228 L CA 1.006 55.303 54.840 -0.904 0.000 0.745 228 L CB -0.613 40.827 42.059 -1.032 0.000 0.898 228 L HN 0.414 nan 8.230 nan 0.000 0.433 229 A N 0.088 122.617 122.820 -0.485 0.000 1.908 229 A HA -0.261 1.885 4.320 -3.624 0.000 0.218 229 A C 1.904 179.430 177.584 -0.097 0.000 1.181 229 A CA 2.153 54.066 52.037 -0.208 0.000 0.627 229 A CB -0.596 18.379 19.000 -0.041 0.000 0.818 229 A HN 0.375 nan 8.150 nan 0.000 0.445 230 D N 0.045 120.387 120.400 -0.097 0.000 2.123 230 D HA -0.077 2.389 4.640 -3.624 0.000 0.196 230 D C 2.173 178.499 176.300 0.043 0.000 0.992 230 D CA 1.619 55.615 54.000 -0.006 0.000 0.833 230 D CB -0.452 40.345 40.800 -0.005 0.000 0.954 230 D HN 0.453 nan 8.370 nan 0.000 0.455 231 A N 0.037 122.841 122.820 -0.027 0.000 1.969 231 A HA -0.106 2.040 4.320 -3.624 0.000 0.218 231 A C 1.736 179.575 177.584 0.425 0.000 1.169 231 A CA 0.794 52.919 52.037 0.147 0.000 0.635 231 A CB -0.534 18.520 19.000 0.091 0.000 0.810 231 A HN 0.106 nan 8.150 nan 0.000 0.445 232 F N -0.493 119.595 119.950 0.231 0.000 2.387 232 F HA 0.153 2.513 4.527 -3.611 0.000 0.294 232 F C 2.142 178.115 175.800 0.288 0.000 1.093 232 F CA 0.265 58.440 58.000 0.291 0.000 1.420 232 F CB -0.987 38.154 39.000 0.235 0.000 1.086 232 F HN 0.227 nan 8.300 nan 0.000 0.531 233 R N 1.007 121.726 120.500 0.365 0.000 2.112 233 R HA -0.186 1.980 4.340 -3.624 0.000 0.242 233 R C -0.768 175.644 176.300 0.185 0.000 1.137 233 R CA 2.205 58.448 56.100 0.239 0.000 0.944 233 R CB -1.481 28.911 30.300 0.153 0.000 0.857 233 R HN 0.117 nan 8.270 nan 0.000 0.435 234 P HA -0.108 nan 4.420 nan 0.000 0.225 234 P C 0.024 177.216 177.300 -0.180 0.000 1.148 234 P CA 1.248 64.315 63.100 -0.055 0.000 0.779 234 P CB -0.019 31.590 31.700 -0.151 0.000 0.780 235 Y N -1.002 119.406 120.300 0.180 0.000 2.468 235 Y HA 0.377 2.754 4.550 -3.622 0.000 0.268 235 Y C 1.871 177.882 175.900 0.185 0.000 1.177 235 Y CA 0.454 58.668 58.100 0.190 0.000 1.265 235 Y CB -0.460 38.133 38.460 0.223 0.000 1.103 235 Y HN 0.020 nan 8.280 nan 0.000 0.522 236 G N 0.852 109.799 108.800 0.244 0.000 2.148 236 G HA2 -0.308 1.477 3.960 -3.624 0.000 0.254 236 G HA3 -0.308 1.477 3.960 -3.624 0.000 0.254 236 G C 0.045 175.124 174.900 0.298 0.000 0.981 236 G CA 0.095 45.333 45.100 0.229 0.000 0.670 236 G HN 0.337 nan 8.290 nan 0.000 0.528 237 I N 1.032 121.796 120.570 0.323 0.000 2.304 237 I HA 0.309 2.305 4.170 -3.624 0.000 0.291 237 I C 0.703 177.014 176.117 0.323 0.000 1.018 237 I CA -0.534 60.955 61.300 0.315 0.000 1.260 237 I CB 1.140 39.287 38.000 0.246 0.000 1.390 237 I HN -0.051 nan 8.210 nan 0.000 0.475 238 K N 5.349 125.927 120.400 0.297 0.000 2.118 238 K HA 0.441 2.587 4.320 -3.624 0.000 0.264 238 K C -0.367 176.332 176.600 0.164 0.000 1.000 238 K CA -0.842 55.545 56.287 0.166 0.000 0.929 238 K CB 1.261 33.778 32.500 0.028 0.000 1.021 238 K HN 0.373 nan 8.250 nan 0.000 0.463 239 M N 2.751 122.334 119.600 -0.028 0.000 2.233 239 M HA 0.267 2.573 4.480 -3.624 0.000 0.355 239 M C -1.709 174.299 176.300 -0.487 0.000 1.191 239 M CA 0.151 55.447 55.300 -0.006 0.000 1.101 239 M CB 0.392 33.044 32.600 0.088 0.000 1.592 239 M HN 0.407 nan 8.290 nan 0.000 0.461 240 Y N 4.255 124.478 120.300 -0.129 0.000 2.545 240 Y HA 0.734 3.118 4.550 -3.609 0.000 0.348 240 Y C -1.100 174.866 175.900 0.109 0.000 1.002 240 Y CA -0.875 57.093 58.100 -0.222 0.000 1.039 240 Y CB 1.686 40.126 38.460 -0.034 0.000 1.271 240 Y HN 0.580 nan 8.280 nan 0.000 0.467 241 L N 1.293 122.779 121.223 0.438 0.000 2.381 241 L HA 0.563 2.729 4.340 -3.624 0.000 0.268 241 L C -0.439 176.632 176.870 0.336 0.000 0.997 241 L CA -0.881 54.204 54.840 0.408 0.000 0.818 241 L CB 2.232 44.560 42.059 0.449 0.000 1.310 241 L HN 0.568 nan 8.230 nan 0.000 0.416 242 S N 2.582 118.418 115.700 0.227 0.000 2.565 242 S HA 0.553 2.849 4.470 -3.624 0.000 0.276 242 S C -0.312 174.324 174.600 0.060 0.000 1.326 242 S CA -0.437 57.849 58.200 0.144 0.000 1.045 242 S CB 0.805 64.075 63.200 0.117 0.000 0.918 242 S HN 0.414 nan 8.310 nan 0.000 0.505 243 I N 0.401 120.964 120.570 -0.010 0.000 2.740 243 I HA 0.616 2.612 4.170 -3.624 0.000 0.303 243 I C -0.497 175.645 176.117 0.041 0.000 1.044 243 I CA -0.939 60.339 61.300 -0.037 0.000 1.064 243 I CB 1.673 39.517 38.000 -0.259 0.000 1.249 243 I HN 0.477 nan 8.210 nan 0.000 0.433 244 N N 2.971 121.742 118.700 0.117 0.000 2.422 244 N HA 0.279 2.844 4.740 -3.624 0.000 0.266 244 N C 0.257 175.925 175.510 0.263 0.000 1.007 244 N CA -0.506 52.631 53.050 0.144 0.000 0.941 244 N CB 0.610 39.157 38.487 0.101 0.000 1.115 244 N HN 0.708 nan 8.380 nan 0.000 0.492 245 F N 3.406 123.422 119.950 0.109 0.000 2.202 245 F HA -0.050 2.302 4.527 -3.625 0.000 0.301 245 F C 1.392 177.341 175.800 0.247 0.000 1.082 245 F CA 1.227 59.333 58.000 0.176 0.000 1.313 245 F CB 0.129 39.203 39.000 0.122 0.000 1.024 245 F HN 0.589 nan 8.300 nan 0.000 0.495 246 N N -0.221 118.622 118.700 0.239 0.000 2.434 246 N HA -0.020 2.546 4.740 -3.624 0.000 0.196 246 N C 1.665 177.125 175.510 -0.084 0.000 1.183 246 N CA 0.519 53.627 53.050 0.097 0.000 0.849 246 N CB -0.206 38.371 38.487 0.149 0.000 0.992 246 N HN 0.136 nan 8.380 nan 0.000 0.460 247 S N 1.192 116.826 115.700 -0.110 0.000 2.380 247 S HA -0.118 2.178 4.470 -3.624 0.000 0.229 247 S C -0.701 173.422 174.600 -0.795 0.000 1.043 247 S CA 1.215 59.236 58.200 -0.298 0.000 1.038 247 S CB -0.888 62.162 63.200 -0.250 0.000 0.872 247 S HN 0.396 nan 8.310 nan 0.000 0.456 248 P HA -0.096 nan 4.420 nan 0.000 0.216 248 P C 1.260 178.150 177.300 -0.682 0.000 1.150 248 P CA 1.246 63.306 63.100 -1.733 0.000 0.837 248 P CB -0.046 30.844 31.700 -1.351 0.000 0.786 249 R N -0.472 119.793 120.500 -0.391 0.000 2.073 249 R HA 0.055 2.221 4.340 -3.624 0.000 0.229 249 R C 2.358 178.595 176.300 -0.105 0.000 1.120 249 R CA 1.339 57.336 56.100 -0.173 0.000 0.967 249 R CB -1.076 29.175 30.300 -0.080 0.000 0.862 249 R HN 0.127 nan 8.270 nan 0.000 0.436 250 A N 0.709 123.469 122.820 -0.100 0.000 1.933 250 A HA -0.123 2.023 4.320 -3.624 0.000 0.218 250 A C 1.686 179.199 177.584 -0.118 0.000 1.175 250 A CA 1.133 53.115 52.037 -0.091 0.000 0.628 250 A CB -0.486 18.460 19.000 -0.091 0.000 0.814 250 A HN 0.215 nan 8.150 nan 0.000 0.444 251 F N -0.514 119.356 119.950 -0.134 0.000 2.748 251 F HA 0.263 2.615 4.527 -3.625 0.000 0.299 251 F C 1.933 177.721 175.800 -0.019 0.000 1.154 251 F CA 0.797 58.781 58.000 -0.026 0.000 1.446 251 F CB -0.087 38.986 39.000 0.122 0.000 1.112 251 F HN 0.383 nan 8.300 nan 0.000 0.584 252 G N 0.076 108.916 108.800 0.066 0.000 2.143 252 G HA2 -0.290 1.496 3.960 -3.624 0.000 0.248 252 G HA3 -0.290 1.496 3.960 -3.624 0.000 0.248 252 G C 0.823 175.752 174.900 0.048 0.000 0.991 252 G CA 0.594 45.712 45.100 0.031 0.000 0.689 252 G HN 0.333 nan 8.290 nan 0.000 0.522 253 D N -0.887 119.545 120.400 0.054 0.000 2.301 253 D HA 0.229 2.695 4.640 -3.624 0.000 0.206 253 D C 1.121 177.425 176.300 0.007 0.000 0.979 253 D CA 1.189 55.240 54.000 0.086 0.000 0.874 253 D CB 0.726 41.692 40.800 0.276 0.000 0.968 253 D HN 0.410 nan 8.370 nan 0.000 0.510 254 V N 1.718 121.572 119.914 -0.099 0.000 2.841 254 V HA 0.116 2.062 4.120 -3.624 0.000 0.310 254 V C -0.142 175.897 176.094 -0.093 0.000 1.090 254 V CA -0.864 61.377 62.300 -0.098 0.000 0.930 254 V CB 2.390 34.117 31.823 -0.160 0.000 1.014 254 V HN -0.089 nan 8.190 nan 0.000 0.425 255 D N 0.180 120.552 120.400 -0.047 0.000 2.328 255 D HA 0.131 2.597 4.640 -3.624 0.000 0.226 255 D C 0.458 176.755 176.300 -0.004 0.000 1.066 255 D CA 0.294 54.283 54.000 -0.019 0.000 0.861 255 D CB 0.680 41.482 40.800 0.003 0.000 0.912 255 D HN 0.553 nan 8.370 nan 0.000 0.521 256 T N -2.172 112.349 114.554 -0.055 0.000 2.792 256 T HA 0.618 2.794 4.350 -3.624 0.000 0.303 256 T C -1.065 173.477 174.700 -0.263 0.000 1.310 256 T CA -0.203 61.854 62.100 -0.072 0.000 1.007 256 T CB 1.436 70.272 68.868 -0.053 0.000 1.335 256 T HN -0.102 nan 8.240 nan 0.000 0.504 257 A N 1.431 123.901 122.820 -0.584 0.000 2.571 257 A HA 0.397 2.543 4.320 -3.624 0.000 0.274 257 A C 0.263 177.386 177.584 -0.767 0.000 1.196 257 A CA -0.031 51.637 52.037 -0.616 0.000 0.957 257 A CB -0.155 18.625 19.000 -0.366 0.000 1.150 257 A HN 0.763 nan 8.150 nan 0.000 0.539 258 D N 1.839 121.680 120.400 -0.932 0.000 2.502 258 D HA 0.010 2.476 4.640 -3.624 0.000 0.249 258 D C -1.092 175.155 176.300 -0.089 0.000 1.188 258 D CA -1.234 52.528 54.000 -0.397 0.000 0.890 258 D CB 1.003 41.715 40.800 -0.147 0.000 1.140 258 D HN 0.186 nan 8.370 nan 0.000 0.505 259 P HA -0.107 nan 4.420 nan 0.000 0.225 259 P C 1.358 178.706 177.300 0.080 0.000 1.148 259 P CA 0.641 63.815 63.100 0.122 0.000 0.779 259 P CB 0.258 32.118 31.700 0.267 0.000 0.780 260 L N -0.852 120.409 121.223 0.063 0.000 2.558 260 L HA 0.130 2.296 4.340 -3.624 0.000 0.225 260 L C 1.174 178.066 176.870 0.037 0.000 1.128 260 L CA 0.296 55.164 54.840 0.047 0.000 0.868 260 L CB -0.517 41.568 42.059 0.044 0.000 1.006 260 L HN -0.014 nan 8.230 nan 0.000 0.454 261 D N 0.899 121.314 120.400 0.026 0.000 2.295 261 D HA 0.103 2.569 4.640 -3.624 0.000 0.248 261 D C -1.735 174.587 176.300 0.037 0.000 1.154 261 D CA -1.772 52.240 54.000 0.020 0.000 0.857 261 D CB 2.218 43.014 40.800 -0.006 0.000 1.117 261 D HN -0.138 nan 8.370 nan 0.000 0.468 262 P HA -0.127 nan 4.420 nan 0.000 0.216 262 P C 1.103 178.440 177.300 0.062 0.000 1.150 262 P CA 1.256 64.385 63.100 0.049 0.000 0.843 262 P CB 0.267 31.988 31.700 0.036 0.000 0.787 263 R N -0.892 119.638 120.500 0.050 0.000 2.120 263 R HA -0.057 2.109 4.340 -3.624 0.000 0.234 263 R C 2.061 178.417 176.300 0.094 0.000 1.123 263 R CA 0.996 57.132 56.100 0.061 0.000 0.975 263 R CB -1.057 29.264 30.300 0.035 0.000 0.866 263 R HN 0.137 nan 8.270 nan 0.000 0.446 264 V N 1.116 121.074 119.914 0.074 0.000 2.379 264 V HA -0.224 1.722 4.120 -3.624 0.000 0.245 264 V C 2.187 178.451 176.094 0.282 0.000 1.044 264 V CA 1.636 64.004 62.300 0.114 0.000 1.036 264 V CB -0.448 31.389 31.823 0.023 0.000 0.664 264 V HN 0.329 nan 8.190 nan 0.000 0.453 265 Q N -0.378 119.546 119.800 0.208 0.000 2.096 265 Q HA -0.321 1.845 4.340 -3.624 0.000 0.204 265 Q C 2.346 178.485 176.000 0.232 0.000 0.982 265 Q CA 2.093 58.029 55.803 0.222 0.000 0.850 265 Q CB -0.251 28.567 28.738 0.132 0.000 0.901 265 Q HN 0.544 nan 8.270 nan 0.000 0.422 266 Q N 0.040 119.941 119.800 0.169 0.000 2.079 266 Q HA -0.184 1.982 4.340 -3.624 0.000 0.200 266 Q C 1.470 177.539 176.000 0.115 0.000 0.974 266 Q CA 1.562 57.438 55.803 0.121 0.000 0.840 266 Q CB -0.469 28.317 28.738 0.080 0.000 0.898 266 Q HN 0.509 nan 8.270 nan 0.000 0.430 267 W N -0.717 120.552 121.300 -0.051 0.000 2.335 267 W HA -0.192 2.292 4.660 -3.626 0.000 0.311 267 W C 1.301 177.691 176.519 -0.215 0.000 1.213 267 W CA 1.818 59.042 57.345 -0.202 0.000 1.274 267 W CB -0.508 28.749 29.460 -0.339 0.000 1.148 267 W HN 0.238 nan 8.180 nan 0.000 0.498 268 W N 0.589 122.065 121.300 0.293 0.000 2.436 268 W HA -0.076 2.411 4.660 -3.623 0.000 0.284 268 W C 2.577 179.130 176.519 0.056 0.000 1.225 268 W CA 1.655 59.124 57.345 0.207 0.000 1.271 268 W CB -0.644 28.984 29.460 0.280 0.000 1.114 268 W HN -0.181 nan 8.180 nan 0.000 0.559 269 K N -0.065 120.481 120.400 0.243 0.000 2.025 269 K HA -0.155 1.991 4.320 -3.624 0.000 0.207 269 K C 1.815 178.445 176.600 0.051 0.000 1.049 269 K CA 2.050 58.436 56.287 0.164 0.000 0.933 269 K CB -0.514 32.064 32.500 0.130 0.000 0.714 269 K HN -0.062 nan 8.250 nan 0.000 0.438 270 T N 0.698 115.202 114.554 -0.083 0.000 2.746 270 T HA -0.125 2.051 4.350 -3.624 0.000 0.267 270 T C 1.849 176.360 174.700 -0.315 0.000 1.039 270 T CA 1.481 63.462 62.100 -0.197 0.000 1.142 270 T CB -0.224 68.473 68.868 -0.284 0.000 0.866 270 T HN 0.217 nan 8.240 nan 0.000 0.444 271 R N 1.589 121.791 120.500 -0.496 0.000 2.081 271 R HA 0.128 2.294 4.340 -3.624 0.000 0.235 271 R C 2.393 178.556 176.300 -0.228 0.000 1.131 271 R CA 1.575 57.343 56.100 -0.552 0.000 0.960 271 R CB -1.008 28.753 30.300 -0.897 0.000 0.856 271 R HN 0.356 nan 8.270 nan 0.000 0.436 272 A N 0.247 123.039 122.820 -0.046 0.000 1.902 272 A HA -0.226 1.920 4.320 -3.624 0.000 0.217 272 A C 2.069 179.492 177.584 -0.268 0.000 1.181 272 A CA 1.661 53.680 52.037 -0.029 0.000 0.623 272 A CB -0.526 18.555 19.000 0.135 0.000 0.818 272 A HN 0.521 nan 8.150 nan 0.000 0.443 273 Q N -0.640 119.043 119.800 -0.195 0.000 2.096 273 Q HA -0.211 1.955 4.340 -3.624 0.000 0.204 273 Q C 2.218 178.096 176.000 -0.204 0.000 0.982 273 Q CA 1.860 57.551 55.803 -0.188 0.000 0.850 273 Q CB -0.204 28.551 28.738 0.029 0.000 0.901 273 Q HN 0.733 nan 8.270 nan 0.000 0.422 274 K N 0.922 121.205 120.400 -0.195 0.000 2.025 274 K HA -0.152 1.994 4.320 -3.624 0.000 0.207 274 K C 1.982 178.505 176.600 -0.128 0.000 1.049 274 K CA 1.106 57.296 56.287 -0.161 0.000 0.933 274 K CB -0.081 32.321 32.500 -0.164 0.000 0.714 274 K HN 0.137 nan 8.250 nan 0.000 0.438 275 I N 0.283 120.712 120.570 -0.236 0.000 2.163 275 I HA -0.307 1.689 4.170 -3.624 0.000 0.243 275 I C 1.895 177.752 176.117 -0.434 0.000 1.085 275 I CA 1.485 62.547 61.300 -0.397 0.000 1.347 275 I CB -0.327 37.213 38.000 -0.767 0.000 1.044 275 I HN 0.200 nan 8.210 nan 0.000 0.408 276 Y N 0.741 120.770 120.300 -0.452 0.000 2.421 276 Y HA -0.205 2.170 4.550 -3.624 0.000 0.292 276 Y C 2.900 178.682 175.900 -0.198 0.000 1.136 276 Y CA 1.345 59.222 58.100 -0.372 0.000 1.255 276 Y CB -0.444 37.584 38.460 -0.722 0.000 0.991 276 Y HN 0.273 nan 8.280 nan 0.000 0.552 277 S N -1.382 114.251 115.700 -0.112 0.000 2.406 277 S HA -0.196 2.099 4.470 -3.624 0.000 0.228 277 S C 1.613 176.086 174.600 -0.211 0.000 1.020 277 S CA 1.007 59.112 58.200 -0.158 0.000 0.965 277 S CB -0.755 62.294 63.200 -0.251 0.000 0.798 277 S HN 0.434 nan 8.310 nan 0.000 0.488 278 Y N 1.397 121.627 120.300 -0.117 0.000 2.314 278 Y HA 0.450 2.826 4.550 -3.623 0.000 0.294 278 Y C 0.929 176.776 175.900 -0.088 0.000 1.119 278 Y CA 0.085 58.123 58.100 -0.103 0.000 1.179 278 Y CB 0.189 38.568 38.460 -0.134 0.000 1.025 278 Y HN 0.232 nan 8.280 nan 0.000 0.541 279 I N 0.675 121.263 120.570 0.030 0.000 2.583 279 I HA 0.209 2.205 4.170 -3.624 0.000 0.276 279 I C -2.218 173.910 176.117 0.018 0.000 1.089 279 I CA -1.676 59.634 61.300 0.016 0.000 1.103 279 I CB 1.963 39.971 38.000 0.013 0.000 1.209 279 I HN -0.158 nan 8.210 nan 0.000 0.484 280 P HA -0.135 nan 4.420 nan 0.000 0.222 280 P C 0.425 177.915 177.300 0.317 0.000 1.147 280 P CA 1.218 64.450 63.100 0.220 0.000 0.790 280 P CB 0.020 31.809 31.700 0.148 0.000 0.780 281 D N -2.073 118.459 120.400 0.219 0.000 2.559 281 D HA 0.015 2.481 4.640 -3.624 0.000 0.234 281 D C -0.000 176.391 176.300 0.152 0.000 1.226 281 D CA -1.067 53.065 54.000 0.220 0.000 0.830 281 D CB -1.241 39.647 40.800 0.147 0.000 1.028 281 D HN 0.016 nan 8.370 nan 0.000 0.492 282 F N 1.594 121.458 119.950 -0.143 0.000 2.629 282 F HA 0.321 2.677 4.527 -3.617 0.000 0.377 282 F C 1.637 177.262 175.800 -0.292 0.000 1.101 282 F CA 0.785 58.546 58.000 -0.399 0.000 1.301 282 F CB 1.173 39.600 39.000 -0.955 0.000 1.062 282 F HN 0.048 nan 8.300 nan 0.000 0.583 283 G N 2.982 111.086 108.800 -1.160 0.000 2.396 283 G HA2 0.393 2.179 3.960 -3.624 0.000 0.214 283 G HA3 0.393 2.179 3.960 -3.624 0.000 0.214 283 G C 0.615 174.940 174.900 -0.959 0.000 1.166 283 G CA 0.593 44.916 45.100 -1.295 0.000 0.793 283 G HN 1.418 nan 8.290 nan 0.000 0.533 284 G N -1.424 106.635 108.800 -1.236 0.000 2.278 284 G HA2 0.291 2.077 3.960 -3.624 0.000 0.265 284 G HA3 0.291 2.077 3.960 -3.624 0.000 0.265 284 G C -1.532 173.316 174.900 -0.087 0.000 1.329 284 G CA -0.879 43.917 45.100 -0.507 0.000 1.017 284 G HN 0.221 nan 8.290 nan 0.000 0.472 285 F N -0.147 119.811 119.950 0.014 0.000 2.508 285 F HA 0.820 3.170 4.527 -3.627 0.000 0.325 285 F C 0.144 175.974 175.800 0.050 0.000 1.090 285 F CA -1.386 56.680 58.000 0.110 0.000 0.945 285 F CB 1.840 40.925 39.000 0.143 0.000 1.156 285 F HN 0.489 nan 8.300 nan 0.000 0.463 286 L N 3.083 124.508 121.223 0.338 0.000 2.317 286 L HA 0.842 3.007 4.340 -3.624 0.000 0.281 286 L C -1.098 175.840 176.870 0.114 0.000 1.024 286 L CA -0.617 54.380 54.840 0.263 0.000 0.810 286 L CB 1.604 43.828 42.059 0.275 0.000 1.240 286 L HN 0.325 nan 8.230 nan 0.000 0.427 287 V N 4.607 124.504 119.914 -0.028 0.000 2.569 287 V HA 0.426 2.372 4.120 -3.624 0.000 0.301 287 V C -0.515 175.326 176.094 -0.422 0.000 1.044 287 V CA -0.874 61.262 62.300 -0.272 0.000 0.874 287 V CB 1.466 32.969 31.823 -0.533 0.000 1.002 287 V HN 0.743 nan 8.190 nan 0.000 0.424 288 K N 3.703 123.938 120.400 -0.276 0.000 2.334 288 K HA 0.810 2.955 4.320 -3.624 0.000 0.265 288 K C -0.494 175.961 176.600 -0.242 0.000 1.039 288 K CA -0.201 55.956 56.287 -0.215 0.000 0.920 288 K CB 1.181 33.628 32.500 -0.087 0.000 1.160 288 K HN 0.914 nan 8.250 nan 0.000 0.451 289 A N 3.871 126.498 122.820 -0.320 0.000 2.414 289 A HA 0.409 2.555 4.320 -3.624 0.000 0.306 289 A C -0.779 176.813 177.584 0.013 0.000 1.054 289 A CA -0.574 51.312 52.037 -0.252 0.000 0.724 289 A CB 0.821 19.463 19.000 -0.597 0.000 1.267 289 A HN 0.917 nan 8.150 nan 0.000 0.418 290 D N 0.207 120.634 120.400 0.045 0.000 2.708 290 D HA -0.134 2.332 4.640 -3.624 0.000 0.236 290 D C -0.094 176.216 176.300 0.016 0.000 1.146 290 D CA 1.937 55.991 54.000 0.090 0.000 0.662 290 D CB -0.942 40.002 40.800 0.239 0.000 1.059 290 D HN 0.681 nan 8.370 nan 0.000 0.428 291 S N -0.602 115.078 115.700 -0.034 0.000 2.619 291 S HA 0.350 2.646 4.470 -3.624 0.000 0.280 291 S C 0.063 174.612 174.600 -0.085 0.000 1.150 291 S CA -0.403 57.721 58.200 -0.126 0.000 0.978 291 S CB 1.229 64.378 63.200 -0.085 0.000 1.041 291 S HN 0.188 nan 8.310 nan 0.000 0.485 292 E N 2.745 122.869 120.200 -0.128 0.000 2.586 292 E HA -0.249 1.927 4.350 -3.624 0.000 0.259 292 E C 0.851 177.481 176.600 0.049 0.000 1.107 292 E CA 0.797 57.224 56.400 0.045 0.000 0.754 292 E CB -1.752 28.045 29.700 0.162 0.000 1.335 292 E HN 1.553 nan 8.360 nan 0.000 0.411 293 G N -0.736 108.060 108.800 -0.006 0.000 2.176 293 G HA2 -0.322 1.464 3.960 -3.624 0.000 0.253 293 G HA3 -0.322 1.464 3.960 -3.624 0.000 0.253 293 G C 0.151 175.058 174.900 0.013 0.000 0.979 293 G CA 0.308 45.412 45.100 0.006 0.000 0.641 293 G HN 0.190 nan 8.290 nan 0.000 0.530 294 Q N 1.186 120.993 119.800 0.010 0.000 2.314 294 Q HA 0.398 2.564 4.340 -3.624 0.000 0.258 294 Q C -2.054 173.965 176.000 0.032 0.000 0.954 294 Q CA -1.507 54.307 55.803 0.019 0.000 0.890 294 Q CB 1.059 29.797 28.738 0.000 0.000 1.210 294 Q HN 0.310 nan 8.270 nan 0.000 0.410 295 P HA 0.362 nan 4.420 nan 0.000 0.272 295 P C -0.286 177.088 177.300 0.124 0.000 1.240 295 P CA -0.092 63.087 63.100 0.133 0.000 0.791 295 P CB 0.725 32.564 31.700 0.231 0.000 0.978 296 G N -0.569 108.303 108.800 0.121 0.000 2.430 296 G HA2 0.333 2.119 3.960 -3.624 0.000 0.300 296 G HA3 0.333 2.119 3.960 -3.624 0.000 0.300 296 G C -2.706 172.083 174.900 -0.186 0.000 1.330 296 G CA -0.739 44.210 45.100 -0.252 0.000 0.813 296 G HN 0.084 nan 8.290 nan 0.000 0.487 297 P HA -0.079 nan 4.420 nan 0.000 0.218 297 P C 1.533 178.924 177.300 0.153 0.000 1.148 297 P CA 1.261 64.334 63.100 -0.046 0.000 0.822 297 P CB 0.187 31.825 31.700 -0.104 0.000 0.784 298 Q N -0.798 119.069 119.800 0.111 0.000 2.291 298 Q HA -0.045 2.121 4.340 -3.624 0.000 0.206 298 Q C 2.295 178.288 176.000 -0.012 0.000 0.976 298 Q CA 1.289 57.124 55.803 0.053 0.000 0.875 298 Q CB -0.909 27.842 28.738 0.021 0.000 0.927 298 Q HN 0.286 nan 8.270 nan 0.000 0.450 299 G N -0.519 108.247 108.800 -0.057 0.000 2.535 299 G HA2 -0.198 1.588 3.960 -3.624 0.000 0.218 299 G HA3 -0.198 1.588 3.960 -3.624 0.000 0.218 299 G C 0.460 175.007 174.900 -0.588 0.000 1.122 299 G CA 0.486 45.401 45.100 -0.307 0.000 0.769 299 G HN 0.354 nan 8.290 nan 0.000 0.549 300 Y N -0.633 119.714 120.300 0.079 0.000 2.660 300 Y HA 0.393 2.768 4.550 -3.625 0.000 0.254 300 Y C 1.706 177.636 175.900 0.050 0.000 1.176 300 Y CA -0.657 57.491 58.100 0.079 0.000 1.195 300 Y CB 0.516 39.054 38.460 0.130 0.000 1.190 300 Y HN 0.158 nan 8.280 nan 0.000 0.535 301 G N 1.033 109.883 108.800 0.083 0.000 2.198 301 G HA2 -0.257 1.529 3.960 -3.624 0.000 0.260 301 G HA3 -0.257 1.529 3.960 -3.624 0.000 0.260 301 G C 0.150 175.085 174.900 0.058 0.000 1.025 301 G CA -0.132 44.995 45.100 0.045 0.000 0.769 301 G HN 0.102 nan 8.290 nan 0.000 0.507 302 R N 0.131 120.689 120.500 0.097 0.000 2.782 302 R HA 0.661 2.826 4.340 -3.624 0.000 0.258 302 R C 0.145 176.469 176.300 0.040 0.000 1.055 302 R CA -0.415 55.729 56.100 0.073 0.000 1.065 302 R CB 0.785 31.159 30.300 0.124 0.000 1.172 302 R HN 0.481 nan 8.270 nan 0.000 0.510 303 D N -2.187 118.211 120.400 -0.003 0.000 2.442 303 D HA 0.189 2.655 4.640 -3.624 0.000 0.254 303 D C 0.694 177.006 176.300 0.021 0.000 1.069 303 D CA -0.483 53.506 54.000 -0.017 0.000 1.017 303 D CB 0.483 41.216 40.800 -0.112 0.000 1.172 303 D HN 0.457 nan 8.370 nan 0.000 0.561 304 H N -0.645 118.321 119.070 -0.173 0.000 2.456 304 H HA -0.061 2.320 4.556 -3.625 0.000 0.296 304 H C 1.710 176.761 175.328 -0.462 0.000 1.079 304 H CA 0.818 56.740 56.048 -0.210 0.000 1.322 304 H CB 0.332 30.155 29.762 0.101 0.000 1.388 304 H HN 0.557 nan 8.280 nan 0.000 0.538 305 A N 1.260 123.876 122.820 -0.340 0.000 1.873 305 A HA -0.165 1.981 4.320 -3.624 0.000 0.215 305 A C 2.134 179.523 177.584 -0.324 0.000 1.186 305 A CA 1.351 53.033 52.037 -0.591 0.000 0.616 305 A CB -0.276 18.237 19.000 -0.812 0.000 0.823 305 A HN 0.419 nan 8.150 nan 0.000 0.442 306 E N -0.588 119.482 120.200 -0.216 0.000 2.110 306 E HA -0.126 2.050 4.350 -3.624 0.000 0.193 306 E C 2.076 178.645 176.600 -0.053 0.000 0.988 306 E CA 0.798 57.137 56.400 -0.102 0.000 0.804 306 E CB -0.319 29.354 29.700 -0.046 0.000 0.745 306 E HN 0.619 nan 8.360 nan 0.000 0.458 307 G N 1.170 109.902 108.800 -0.114 0.000 2.404 307 G HA2 -0.208 1.577 3.960 -3.624 0.000 0.215 307 G HA3 -0.208 1.577 3.960 -3.624 0.000 0.215 307 G C 1.705 176.565 174.900 -0.066 0.000 1.174 307 G CA 0.778 45.885 45.100 0.012 0.000 0.780 307 G HN 0.342 nan 8.290 nan 0.000 0.537 308 A N 1.470 123.958 122.820 -0.554 0.000 1.883 308 A HA -0.120 2.026 4.320 -3.624 0.000 0.217 308 A C 2.264 179.842 177.584 -0.011 0.000 1.186 308 A CA 2.009 53.858 52.037 -0.314 0.000 0.624 308 A CB -0.520 18.210 19.000 -0.450 0.000 0.822 308 A HN 0.346 nan 8.150 nan 0.000 0.444 309 N N -0.562 118.120 118.700 -0.029 0.000 2.223 309 N HA -0.135 2.431 4.740 -3.624 0.000 0.185 309 N C 1.669 177.199 175.510 0.034 0.000 1.016 309 N CA 1.421 54.480 53.050 0.015 0.000 0.863 309 N CB -0.477 37.999 38.487 -0.019 0.000 0.983 309 N HN 0.527 nan 8.380 nan 0.000 0.429 310 M N 0.805 120.427 119.600 0.037 0.000 2.067 310 M HA -0.071 2.235 4.480 -3.624 0.000 0.260 310 M C 1.744 178.073 176.300 0.048 0.000 1.069 310 M CA 1.283 56.616 55.300 0.054 0.000 1.117 310 M CB -0.518 32.124 32.600 0.069 0.000 1.334 310 M HN 0.062 nan 8.290 nan 0.000 0.407 311 L N 0.262 121.497 121.223 0.020 0.000 2.046 311 L HA -0.160 2.006 4.340 -3.624 0.000 0.208 311 L C 2.751 179.679 176.870 0.096 0.000 1.077 311 L CA 1.201 56.060 54.840 0.032 0.000 0.747 311 L CB -1.146 40.970 42.059 0.094 0.000 0.896 311 L HN 0.364 nan 8.230 nan 0.000 0.432 312 A N 0.188 123.059 122.820 0.085 0.000 1.940 312 A HA -0.182 1.963 4.320 -3.624 0.000 0.219 312 A C 2.537 180.157 177.584 0.060 0.000 1.176 312 A CA 1.785 53.859 52.037 0.062 0.000 0.631 312 A CB -0.666 18.372 19.000 0.064 0.000 0.814 312 A HN 0.409 nan 8.150 nan 0.000 0.446 313 A N -0.291 122.569 122.820 0.067 0.000 1.969 313 A HA 0.205 2.351 4.320 -3.624 0.000 0.218 313 A C 2.448 180.085 177.584 0.089 0.000 1.169 313 A CA 1.868 53.943 52.037 0.063 0.000 0.635 313 A CB -0.851 18.185 19.000 0.060 0.000 0.810 313 A HN 1.025 nan 8.150 nan 0.000 0.445 314 A N -0.445 122.457 122.820 0.136 0.000 1.930 314 A HA 0.047 2.193 4.320 -3.624 0.000 0.217 314 A C 2.066 179.779 177.584 0.215 0.000 1.175 314 A CA 1.388 53.545 52.037 0.201 0.000 0.627 314 A CB -0.423 18.756 19.000 0.299 0.000 0.815 314 A HN 0.463 nan 8.150 nan 0.000 0.443 315 L N -1.423 119.881 121.223 0.136 0.000 2.375 315 L HA -0.018 2.148 4.340 -3.624 0.000 0.215 315 L C 2.372 179.296 176.870 0.090 0.000 1.108 315 L CA 0.971 55.887 54.840 0.126 0.000 0.830 315 L CB -0.233 41.819 42.059 -0.011 0.000 0.959 315 L HN 0.293 nan 8.230 nan 0.000 0.457 316 K N 1.443 121.867 120.400 0.040 0.000 2.044 316 K HA -0.164 1.982 4.320 -3.624 0.000 0.210 316 K C -0.655 175.886 176.600 -0.098 0.000 1.049 316 K CA 1.739 58.020 56.287 -0.010 0.000 0.927 316 K CB -1.154 31.344 32.500 -0.002 0.000 0.713 316 K HN 0.116 nan 8.250 nan 0.000 0.443 317 P HA -0.059 nan 4.420 nan 0.000 0.228 317 P C 0.179 177.098 177.300 -0.635 0.000 1.151 317 P CA 1.018 63.856 63.100 -0.437 0.000 0.770 317 P CB 0.080 31.408 31.700 -0.621 0.000 0.786 318 F N -2.126 117.637 119.950 -0.312 0.000 2.678 318 F HA 0.413 2.766 4.527 -3.624 0.000 0.305 318 F C 1.682 177.278 175.800 -0.340 0.000 1.090 318 F CA 0.302 57.979 58.000 -0.537 0.000 1.272 318 F CB -0.369 37.761 39.000 -1.450 0.000 1.060 318 F HN -0.074 nan 8.300 nan 0.000 0.576 319 G N 0.728 109.504 108.800 -0.040 0.000 2.143 319 G HA2 -0.185 1.601 3.960 -3.624 0.000 0.248 319 G HA3 -0.185 1.601 3.960 -3.624 0.000 0.248 319 G C 0.633 175.588 174.900 0.090 0.000 0.991 319 G CA -0.157 44.968 45.100 0.042 0.000 0.689 319 G HN 0.729 nan 8.290 nan 0.000 0.522 320 G N -1.146 107.708 108.800 0.090 0.000 2.507 320 G HA2 0.767 2.553 3.960 -3.624 0.000 0.271 320 G HA3 0.767 2.553 3.960 -3.624 0.000 0.271 320 G C 0.254 175.125 174.900 -0.047 0.000 1.189 320 G CA 0.266 45.414 45.100 0.080 0.000 0.859 320 G HN 1.616 nan 8.290 nan 0.000 0.542 321 V N -1.460 118.352 119.914 -0.171 0.000 2.960 321 V HA 0.793 2.739 4.120 -3.624 0.000 0.315 321 V C -0.458 175.436 176.094 -0.334 0.000 1.087 321 V CA -1.073 61.061 62.300 -0.276 0.000 0.982 321 V CB 1.863 33.421 31.823 -0.443 0.000 1.039 321 V HN 0.527 nan 8.190 nan 0.000 0.437 322 V N 3.296 123.086 119.914 -0.208 0.000 2.357 322 V HA 0.459 2.405 4.120 -3.624 0.000 0.284 322 V C -0.799 175.305 176.094 0.016 0.000 1.018 322 V CA -0.123 62.147 62.300 -0.050 0.000 0.841 322 V CB 0.916 32.828 31.823 0.148 0.000 0.991 322 V HN 0.717 nan 8.190 nan 0.000 0.437 323 F N 4.333 124.324 119.950 0.067 0.000 2.377 323 F HA 0.285 2.653 4.527 -3.598 0.000 0.360 323 F C 0.189 176.034 175.800 0.076 0.000 1.147 323 F CA -1.280 56.721 58.000 0.001 0.000 1.170 323 F CB 0.440 39.399 39.000 -0.069 0.000 1.339 323 F HN 0.543 nan 8.300 nan 0.000 0.552 324 W N 6.148 127.483 121.300 0.058 0.000 2.332 324 W HA 0.376 2.863 4.660 -3.622 0.000 0.306 324 W C -0.199 176.286 176.519 -0.056 0.000 1.149 324 W CA -0.872 56.471 57.345 -0.003 0.000 1.271 324 W CB 0.760 30.183 29.460 -0.061 0.000 1.243 324 W HN 0.445 nan 8.180 nan 0.000 0.459 325 R N 3.581 123.953 120.500 -0.213 0.000 2.490 325 R HA 0.277 2.443 4.340 -3.624 0.000 0.280 325 R C 0.891 177.182 176.300 -0.016 0.000 1.077 325 R CA 0.064 56.114 56.100 -0.084 0.000 1.065 325 R CB 1.065 31.346 30.300 -0.031 0.000 1.003 325 R HN 0.556 nan 8.270 nan 0.000 0.470 326 A N 3.366 126.136 122.820 -0.084 0.000 2.307 326 A HA 0.015 2.161 4.320 -3.624 0.000 0.218 326 A C 0.198 177.913 177.584 0.219 0.000 1.228 326 A CA -0.142 51.799 52.037 -0.161 0.000 0.857 326 A CB -0.026 18.691 19.000 -0.471 0.000 0.897 326 A HN 0.640 nan 8.150 nan 0.000 0.495 327 F N 1.651 121.645 119.950 0.073 0.000 2.679 327 F HA 0.443 2.806 4.527 -3.607 0.000 0.351 327 F C -0.499 175.453 175.800 0.253 0.000 1.279 327 F CA -0.638 57.437 58.000 0.124 0.000 1.227 327 F CB -0.133 38.895 39.000 0.047 0.000 1.623 327 F HN -0.087 nan 8.300 nan 0.000 0.666 328 V N 6.012 125.998 119.914 0.119 0.000 2.760 328 V HA 0.474 2.419 4.120 -3.624 0.000 0.309 328 V C -1.307 174.867 176.094 0.133 0.000 1.077 328 V CA -1.003 61.333 62.300 0.061 0.000 0.910 328 V CB 1.927 33.872 31.823 0.203 0.000 1.008 328 V HN 0.399 nan 8.190 nan 0.000 0.424 329 Y N 1.429 121.654 120.300 -0.126 0.000 2.333 329 Y HA 0.550 2.925 4.550 -3.625 0.000 0.319 329 Y C -0.861 175.003 175.900 -0.060 0.000 1.200 329 Y CA -0.839 57.220 58.100 -0.068 0.000 1.084 329 Y CB 0.848 39.265 38.460 -0.071 0.000 1.268 329 Y HN 0.754 nan 8.280 nan 0.000 0.422 330 H N 5.961 124.960 119.070 -0.118 0.000 2.525 330 H HA 0.252 2.634 4.556 -3.624 0.000 0.339 330 H C -1.895 173.357 175.328 -0.127 0.000 1.109 330 H CA -2.115 53.832 56.048 -0.168 0.000 1.352 330 H CB 2.304 31.991 29.762 -0.124 0.000 1.461 330 H HN 0.554 nan 8.280 nan 0.000 0.533 331 P HA -0.102 nan 4.420 nan 0.000 0.223 331 P C 0.310 177.545 177.300 -0.109 0.000 1.144 331 P CA 1.039 63.905 63.100 -0.389 0.000 0.783 331 P CB 0.431 31.816 31.700 -0.526 0.000 0.771 332 D N -0.794 119.692 120.400 0.144 0.000 2.369 332 D HA 0.105 2.571 4.640 -3.624 0.000 0.211 332 D C 1.186 177.569 176.300 0.138 0.000 1.077 332 D CA -0.075 54.033 54.000 0.180 0.000 0.842 332 D CB -0.005 40.961 40.800 0.276 0.000 0.947 332 D HN 0.309 nan 8.370 nan 0.000 0.509 333 I N -0.973 119.686 120.570 0.149 0.000 3.021 333 I HA 0.205 2.201 4.170 -3.624 0.000 0.303 333 I C 1.681 177.883 176.117 0.142 0.000 1.044 333 I CA -0.635 60.738 61.300 0.122 0.000 1.266 333 I CB 1.046 39.124 38.000 0.130 0.000 1.447 333 I HN -0.225 nan 8.210 nan 0.000 0.593 334 E N 1.098 121.376 120.200 0.131 0.000 2.170 334 E HA -0.084 2.092 4.350 -3.624 0.000 0.191 334 E C -0.174 176.552 176.600 0.210 0.000 0.981 334 E CA 0.552 57.034 56.400 0.137 0.000 0.830 334 E CB 0.219 29.972 29.700 0.088 0.000 0.775 334 E HN 0.754 nan 8.360 nan 0.000 0.470 335 D N -0.199 120.341 120.400 0.233 0.000 2.575 335 D HA 0.144 2.610 4.640 -3.624 0.000 0.250 335 D C 0.246 176.713 176.300 0.278 0.000 1.279 335 D CA -0.652 53.517 54.000 0.282 0.000 0.925 335 D CB 1.240 42.190 40.800 0.250 0.000 1.261 335 D HN 0.068 nan 8.370 nan 0.000 0.567 336 R N 2.958 123.659 120.500 0.335 0.000 2.117 336 R HA -0.195 1.971 4.340 -3.624 0.000 0.243 336 R C 1.548 177.980 176.300 0.221 0.000 1.143 336 R CA 1.330 57.579 56.100 0.249 0.000 0.968 336 R CB -0.319 30.100 30.300 0.198 0.000 0.863 336 R HN 0.485 nan 8.270 nan 0.000 0.444 337 F N 1.308 121.313 119.950 0.090 0.000 2.154 337 F HA -0.223 2.133 4.527 -3.619 0.000 0.301 337 F C 2.058 177.886 175.800 0.048 0.000 1.087 337 F CA 1.812 59.847 58.000 0.059 0.000 1.274 337 F CB -0.003 39.013 39.000 0.027 0.000 1.009 337 F HN -0.011 nan 8.300 nan 0.000 0.485 338 R N -0.348 120.343 120.500 0.319 0.000 2.236 338 R HA 0.005 2.170 4.340 -3.624 0.000 0.208 338 R C 2.524 178.923 176.300 0.165 0.000 1.036 338 R CA 0.547 56.778 56.100 0.217 0.000 1.001 338 R CB -0.888 29.530 30.300 0.198 0.000 0.896 338 R HN 0.457 nan 8.270 nan 0.000 0.464 339 G N 1.524 110.415 108.800 0.152 0.000 2.586 339 G HA2 -0.374 1.412 3.960 -3.624 0.000 0.218 339 G HA3 -0.374 1.412 3.960 -3.624 0.000 0.218 339 G C 1.537 176.526 174.900 0.150 0.000 1.216 339 G CA 1.188 46.379 45.100 0.151 0.000 0.786 339 G HN 0.408 nan 8.290 nan 0.000 0.583 340 A N -0.298 122.621 122.820 0.164 0.000 1.883 340 A HA -0.075 2.071 4.320 -3.624 0.000 0.217 340 A C 2.272 180.027 177.584 0.285 0.000 1.186 340 A CA 1.930 54.122 52.037 0.258 0.000 0.624 340 A CB -0.827 18.283 19.000 0.183 0.000 0.822 340 A HN 0.540 nan 8.150 nan 0.000 0.444 341 Y N 1.010 121.343 120.300 0.055 0.000 2.128 341 Y HA -0.258 2.117 4.550 -3.626 0.000 0.284 341 Y C 1.886 177.811 175.900 0.042 0.000 1.154 341 Y CA 2.273 60.390 58.100 0.029 0.000 1.149 341 Y CB -0.143 38.285 38.460 -0.053 0.000 0.976 341 Y HN 0.351 nan 8.280 nan 0.000 0.505 342 D N -0.180 120.346 120.400 0.210 0.000 2.219 342 D HA -0.140 2.326 4.640 -3.624 0.000 0.205 342 D C 1.962 178.229 176.300 -0.055 0.000 0.970 342 D CA 1.140 55.191 54.000 0.085 0.000 0.851 342 D CB -0.098 40.763 40.800 0.101 0.000 0.943 342 D HN 0.537 nan 8.370 nan 0.000 0.488 343 E N -0.636 119.512 120.200 -0.086 0.000 2.076 343 E HA -0.053 2.123 4.350 -3.624 0.000 0.190 343 E C 1.629 177.943 176.600 -0.477 0.000 0.979 343 E CA 0.605 56.801 56.400 -0.339 0.000 0.807 343 E CB -0.029 29.373 29.700 -0.498 0.000 0.761 343 E HN 0.346 nan 8.360 nan 0.000 0.454 344 F N -0.249 119.664 119.950 -0.062 0.000 2.622 344 F HA 0.104 2.461 4.527 -3.617 0.000 0.288 344 F C 2.262 178.001 175.800 -0.101 0.000 1.120 344 F CA 0.130 58.117 58.000 -0.022 0.000 1.423 344 F CB -0.085 38.933 39.000 0.031 0.000 1.127 344 F HN -0.102 nan 8.300 nan 0.000 0.588 345 M N 0.526 120.057 119.600 -0.115 0.000 2.106 345 M HA -0.133 2.173 4.480 -3.624 0.000 0.259 345 M C -0.584 175.630 176.300 -0.143 0.000 1.068 345 M CA 1.825 56.976 55.300 -0.249 0.000 1.100 345 M CB -2.245 30.001 32.600 -0.590 0.000 1.351 345 M HN -0.055 nan 8.290 nan 0.000 0.404 346 P HA -0.059 nan 4.420 nan 0.000 0.225 346 P C 1.344 178.577 177.300 -0.111 0.000 1.148 346 P CA 1.032 64.064 63.100 -0.113 0.000 0.779 346 P CB -0.143 31.483 31.700 -0.124 0.000 0.780 347 L N -1.949 119.225 121.223 -0.082 0.000 2.640 347 L HA 0.177 2.343 4.340 -3.624 0.000 0.230 347 L C 0.639 177.472 176.870 -0.061 0.000 1.123 347 L CA -0.302 54.453 54.840 -0.142 0.000 0.900 347 L CB -0.414 41.534 42.059 -0.185 0.000 1.146 347 L HN -0.136 nan 8.230 nan 0.000 0.484 348 D N 1.077 121.492 120.400 0.024 0.000 2.472 348 D HA 0.231 2.697 4.640 -3.624 0.000 0.248 348 D C 1.240 177.542 176.300 0.004 0.000 1.174 348 D CA 1.589 55.620 54.000 0.052 0.000 0.883 348 D CB 0.758 41.539 40.800 -0.031 0.000 1.149 348 D HN 0.319 nan 8.370 nan 0.000 0.488 349 G N 3.870 112.701 108.800 0.052 0.000 2.213 349 G HA2 -0.295 1.491 3.960 -3.624 0.000 0.236 349 G HA3 -0.295 1.491 3.960 -3.624 0.000 0.236 349 G C 1.078 175.962 174.900 -0.025 0.000 0.991 349 G CA 0.387 45.495 45.100 0.014 0.000 0.629 349 G HN 0.562 nan 8.290 nan 0.000 0.517 350 K N -0.472 119.853 120.400 -0.124 0.000 2.393 350 K HA 0.344 2.490 4.320 -3.624 0.000 0.193 350 K C 0.130 176.547 176.600 -0.305 0.000 1.026 350 K CA -0.147 55.990 56.287 -0.249 0.000 1.064 350 K CB 0.261 32.545 32.500 -0.360 0.000 0.833 350 K HN 0.330 nan 8.250 nan 0.000 0.521 351 F N 1.641 121.567 119.950 -0.041 0.000 2.384 351 F HA 0.276 2.633 4.527 -3.617 0.000 0.338 351 F C 0.979 176.767 175.800 -0.020 0.000 1.103 351 F CA -1.180 56.792 58.000 -0.046 0.000 1.157 351 F CB 0.556 39.531 39.000 -0.041 0.000 1.167 351 F HN -0.074 nan 8.300 nan 0.000 0.529 352 A N 1.709 124.636 122.820 0.177 0.000 2.429 352 A HA 0.086 2.232 4.320 -3.624 0.000 0.242 352 A C 1.023 178.688 177.584 0.136 0.000 1.088 352 A CA -0.382 51.723 52.037 0.114 0.000 0.784 352 A CB 0.094 19.144 19.000 0.083 0.000 1.038 352 A HN 0.791 nan 8.150 nan 0.000 0.501 353 D N 0.216 120.687 120.400 0.118 0.000 2.371 353 D HA -0.094 2.372 4.640 -3.624 0.000 0.221 353 D C 0.840 177.266 176.300 0.209 0.000 0.986 353 D CA 1.120 55.213 54.000 0.154 0.000 0.899 353 D CB 0.033 40.911 40.800 0.130 0.000 0.902 353 D HN 0.683 nan 8.370 nan 0.000 0.530 354 N N 0.201 118.979 118.700 0.131 0.000 2.251 354 N HA -0.018 2.548 4.740 -3.624 0.000 0.217 354 N C -0.396 175.094 175.510 -0.033 0.000 1.124 354 N CA -0.084 52.990 53.050 0.040 0.000 0.843 354 N CB 0.502 39.013 38.487 0.039 0.000 1.024 354 N HN -0.160 nan 8.380 nan 0.000 0.501 355 V N 1.679 121.613 119.914 0.033 0.000 2.398 355 V HA 0.458 2.404 4.120 -3.624 0.000 0.286 355 V C 0.031 176.114 176.094 -0.018 0.000 1.026 355 V CA -0.703 61.608 62.300 0.017 0.000 0.868 355 V CB 1.420 33.279 31.823 0.061 0.000 0.982 355 V HN 0.088 nan 8.190 nan 0.000 0.443 356 I N 5.381 125.950 120.570 -0.001 0.000 2.418 356 I HA 0.372 2.368 4.170 -3.624 0.000 0.287 356 I C -0.643 175.452 176.117 -0.037 0.000 1.008 356 I CA -0.743 60.566 61.300 0.014 0.000 1.104 356 I CB 1.865 39.937 38.000 0.120 0.000 1.264 356 I HN 0.390 nan 8.210 nan 0.000 0.438 357 L N 6.392 127.509 121.223 -0.176 0.000 2.315 357 L HA 0.250 2.416 4.340 -3.624 0.000 0.283 357 L C 0.146 176.923 176.870 -0.156 0.000 1.089 357 L CA 0.386 55.077 54.840 -0.248 0.000 0.833 357 L CB 0.700 42.493 42.059 -0.444 0.000 1.170 357 L HN 0.625 nan 8.230 nan 0.000 0.442 358 Q N 5.418 125.152 119.800 -0.111 0.000 2.349 358 Q HA 0.492 2.658 4.340 -3.624 0.000 0.254 358 Q C -1.282 174.647 176.000 -0.118 0.000 0.980 358 Q CA -0.223 55.519 55.803 -0.102 0.000 0.924 358 Q CB 0.580 29.265 28.738 -0.089 0.000 1.209 358 Q HN 0.705 nan 8.270 nan 0.000 0.445 359 I N 4.043 124.542 120.570 -0.119 0.000 2.406 359 I HA 0.341 2.337 4.170 -3.624 0.000 0.290 359 I C -0.109 175.985 176.117 -0.039 0.000 0.999 359 I CA -0.918 60.265 61.300 -0.195 0.000 1.124 359 I CB 1.734 39.383 38.000 -0.585 0.000 1.289 359 I HN 0.457 nan 8.210 nan 0.000 0.441 360 K N 4.520 124.886 120.400 -0.056 0.000 2.336 360 K HA 0.035 2.181 4.320 -3.624 0.000 0.262 360 K C 1.151 177.837 176.600 0.143 0.000 0.992 360 K CA -0.208 56.076 56.287 -0.005 0.000 0.927 360 K CB 0.479 32.793 32.500 -0.310 0.000 0.956 360 K HN 0.690 nan 8.250 nan 0.000 0.495 361 N N 0.583 119.429 118.700 0.244 0.000 2.166 361 N HA -0.117 2.448 4.740 -3.624 0.000 0.186 361 N C 0.675 176.379 175.510 0.323 0.000 1.019 361 N CA 1.006 54.260 53.050 0.341 0.000 0.856 361 N CB -0.080 38.676 38.487 0.449 0.000 0.993 361 N HN 0.524 nan 8.380 nan 0.000 0.426 362 G N 0.220 109.112 108.800 0.152 0.000 2.685 362 G HA2 0.453 2.239 3.960 -3.624 0.000 0.298 362 G HA3 0.453 2.239 3.960 -3.624 0.000 0.298 362 G C -2.295 172.524 174.900 -0.136 0.000 1.277 362 G CA -1.183 43.916 45.100 -0.002 0.000 0.986 362 G HN -0.066 nan 8.290 nan 0.000 0.487 363 P HA 0.128 nan 4.420 nan 0.000 0.245 363 P C 0.899 178.058 177.300 -0.235 0.000 1.206 363 P CA 0.169 63.053 63.100 -0.360 0.000 0.781 363 P CB 0.591 31.820 31.700 -0.785 0.000 0.994 364 I N 0.376 120.847 120.570 -0.165 0.000 4.682 364 I HA 0.212 2.208 4.170 -3.624 0.000 0.229 364 I C 0.360 176.455 176.117 -0.038 0.000 0.980 364 I CA 0.980 62.248 61.300 -0.054 0.000 1.588 364 I CB -0.933 37.115 38.000 0.079 0.000 1.448 364 I HN -0.090 nan 8.210 nan 0.000 0.457 365 D N -0.667 119.675 120.400 -0.098 0.000 3.117 365 D HA 0.176 2.642 4.640 -3.624 0.000 0.241 365 D C -0.819 175.395 176.300 -0.143 0.000 1.385 365 D CA -0.405 53.478 54.000 -0.194 0.000 0.855 365 D CB -0.222 40.566 40.800 -0.020 0.000 1.498 365 D HN 0.148 nan 8.370 nan 0.000 0.584 366 F N -0.248 119.707 119.950 0.008 0.000 3.084 366 F HA -0.276 2.104 4.527 -3.579 0.000 0.286 366 F C 0.949 176.739 175.800 -0.016 0.000 0.855 366 F CA 0.505 58.560 58.000 0.093 0.000 1.091 366 F CB -1.831 37.318 39.000 0.248 0.000 1.177 366 F HN 0.360 nan 8.300 nan 0.000 0.542 367 Q N 0.383 120.183 119.800 -0.001 0.000 2.454 367 Q HA 0.095 2.261 4.340 -3.624 0.000 0.247 367 Q C -0.936 175.078 176.000 0.023 0.000 1.028 367 Q CA -1.073 54.656 55.803 -0.123 0.000 0.910 367 Q CB 0.132 28.841 28.738 -0.047 0.000 1.276 367 Q HN 0.020 nan 8.270 nan 0.000 0.489 368 P HA -0.136 nan 4.420 nan 0.000 0.217 368 P C 0.004 177.369 177.300 0.108 0.000 1.148 368 P CA 1.506 64.510 63.100 -0.158 0.000 0.828 368 P CB 0.309 31.707 31.700 -0.503 0.000 0.783 369 R N -0.340 120.222 120.500 0.105 0.000 2.564 369 R HA 0.339 2.505 4.340 -3.624 0.000 0.284 369 R C -1.157 175.304 176.300 0.268 0.000 1.031 369 R CA -0.436 55.763 56.100 0.164 0.000 0.904 369 R CB 1.566 31.940 30.300 0.123 0.000 1.199 369 R HN -0.117 nan 8.270 nan 0.000 0.443 370 E N 4.308 124.582 120.200 0.123 0.000 2.340 370 E HA 0.401 2.577 4.350 -3.624 0.000 0.273 370 E C -2.492 173.975 176.600 -0.221 0.000 0.891 370 E CA -2.199 54.107 56.400 -0.156 0.000 0.757 370 E CB 2.773 32.408 29.700 -0.109 0.000 1.231 370 E HN 0.455 nan 8.360 nan 0.000 0.439 371 P HA 0.042 nan 4.420 nan 0.000 0.272 371 P C -0.384 176.959 177.300 0.072 0.000 1.240 371 P CA -0.280 62.720 63.100 -0.167 0.000 0.791 371 P CB 0.244 31.784 31.700 -0.266 0.000 0.978 372 F N -0.970 119.160 119.950 0.301 0.000 2.506 372 F HA 0.262 2.613 4.527 -3.628 0.000 0.351 372 F C 0.423 176.450 175.800 0.377 0.000 1.136 372 F CA -0.695 57.511 58.000 0.343 0.000 1.298 372 F CB -0.535 38.682 39.000 0.363 0.000 1.145 372 F HN 0.097 nan 8.300 nan 0.000 0.593 373 S N 2.665 118.616 115.700 0.418 0.000 2.555 373 S HA 0.249 2.545 4.470 -3.624 0.000 0.293 373 S C 1.264 175.975 174.600 0.185 0.000 1.248 373 S CA -0.082 58.188 58.200 0.116 0.000 1.096 373 S CB 0.698 63.850 63.200 -0.080 0.000 0.881 373 S HN 0.931 nan 8.310 nan 0.000 0.498 374 A N 4.420 127.127 122.820 -0.189 0.000 2.024 374 A HA -0.092 2.054 4.320 -3.624 0.000 0.220 374 A C 1.929 179.630 177.584 0.196 0.000 1.164 374 A CA 1.145 53.017 52.037 -0.276 0.000 0.643 374 A CB -0.523 17.892 19.000 -0.976 0.000 0.806 374 A HN 0.833 nan 8.150 nan 0.000 0.451 375 L N -1.887 119.424 121.223 0.146 0.000 2.081 375 L HA -0.231 1.935 4.340 -3.624 0.000 0.212 375 L C 2.367 179.294 176.870 0.094 0.000 1.080 375 L CA 1.360 56.242 54.840 0.070 0.000 0.754 375 L CB -0.574 41.387 42.059 -0.163 0.000 0.893 375 L HN 0.398 nan 8.230 nan 0.000 0.433 376 F N -0.135 119.958 119.950 0.239 0.000 2.161 376 F HA -0.209 2.140 4.527 -3.630 0.000 0.300 376 F C 2.435 178.435 175.800 0.333 0.000 1.089 376 F CA 1.235 59.374 58.000 0.231 0.000 1.282 376 F CB -0.735 38.384 39.000 0.198 0.000 1.010 376 F HN 0.029 nan 8.300 nan 0.000 0.485 377 A N -0.954 122.209 122.820 0.572 0.000 2.238 377 A HA 0.387 2.532 4.320 -3.624 0.000 0.210 377 A C 2.312 180.186 177.584 0.482 0.000 1.179 377 A CA 0.897 53.254 52.037 0.534 0.000 0.827 377 A CB -0.924 18.396 19.000 0.533 0.000 0.856 377 A HN 0.361 nan 8.150 nan 0.000 0.488 378 G N -1.142 107.867 108.800 0.347 0.000 2.641 378 G HA2 0.225 2.011 3.960 -3.624 0.000 0.207 378 G HA3 0.225 2.011 3.960 -3.624 0.000 0.207 378 G C 0.689 175.545 174.900 -0.074 0.000 1.137 378 G CA -0.178 45.044 45.100 0.203 0.000 0.824 378 G HN 0.269 nan 8.290 nan 0.000 0.547 379 M N 2.946 122.466 119.600 -0.133 0.000 2.266 379 M HA 0.192 2.498 4.480 -3.624 0.000 0.340 379 M C 1.051 176.971 176.300 -0.633 0.000 1.486 379 M CA 0.024 55.169 55.300 -0.257 0.000 1.209 379 M CB 0.740 33.258 32.600 -0.136 0.000 1.714 379 M HN 0.266 nan 8.290 nan 0.000 0.459 380 S N 2.865 118.165 115.700 -0.666 0.000 2.540 380 S HA 0.214 2.510 4.470 -3.624 0.000 0.218 380 S C 1.065 175.446 174.600 -0.365 0.000 0.977 380 S CA -0.338 57.284 58.200 -0.962 0.000 0.918 380 S CB 0.409 63.217 63.200 -0.653 0.000 0.806 380 S HN 0.770 nan 8.310 nan 0.000 0.496 381 R N 0.691 121.072 120.500 -0.197 0.000 2.629 381 R HA 0.323 2.489 4.340 -3.624 0.000 0.408 381 R C -0.876 175.427 176.300 0.006 0.000 1.057 381 R CA -0.027 56.038 56.100 -0.059 0.000 1.119 381 R CB 1.214 31.493 30.300 -0.036 0.000 1.403 381 R HN 0.204 nan 8.270 nan 0.000 0.576 382 T N 0.555 115.102 114.554 -0.012 0.000 2.916 382 T HA 0.281 2.457 4.350 -3.624 0.000 0.298 382 T C -0.596 174.119 174.700 0.025 0.000 1.031 382 T CA -0.876 61.247 62.100 0.038 0.000 0.993 382 T CB 1.787 70.681 68.868 0.043 0.000 1.045 382 T HN 0.011 nan 8.240 nan 0.000 0.454 383 N N 2.839 121.569 118.700 0.050 0.000 2.458 383 N HA 0.296 2.862 4.740 -3.624 0.000 0.258 383 N C -0.479 175.049 175.510 0.030 0.000 1.219 383 N CA 0.402 53.502 53.050 0.084 0.000 0.902 383 N CB 0.377 38.952 38.487 0.147 0.000 1.076 383 N HN 0.562 nan 8.380 nan 0.000 0.455 384 M N 1.806 121.452 119.600 0.076 0.000 2.572 384 M HA 0.529 2.835 4.480 -3.624 0.000 0.299 384 M C -0.273 176.079 176.300 0.087 0.000 1.205 384 M CA -0.700 54.639 55.300 0.066 0.000 0.876 384 M CB 2.274 34.960 32.600 0.144 0.000 1.728 384 M HN 0.431 nan 8.290 nan 0.000 0.458 385 M N 1.112 120.747 119.600 0.058 0.000 2.575 385 M HA 0.709 3.015 4.480 -3.624 0.000 0.284 385 M C -1.476 174.857 176.300 0.055 0.000 1.253 385 M CA -1.005 54.303 55.300 0.013 0.000 0.861 385 M CB 2.460 34.995 32.600 -0.109 0.000 1.733 385 M HN 0.691 nan 8.290 nan 0.000 0.462 386 M N 2.038 121.609 119.600 -0.047 0.000 2.314 386 M HA 0.416 2.722 4.480 -3.624 0.000 0.342 386 M C -0.962 175.220 176.300 -0.195 0.000 1.171 386 M CA 0.479 55.707 55.300 -0.120 0.000 1.098 386 M CB 1.178 33.498 32.600 -0.467 0.000 1.559 386 M HN 0.796 nan 8.290 nan 0.000 0.459 387 E N 4.102 124.209 120.200 -0.155 0.000 2.185 387 E HA 0.390 2.566 4.350 -3.624 0.000 0.261 387 E C -1.858 174.746 176.600 0.006 0.000 0.879 387 E CA -0.286 56.071 56.400 -0.071 0.000 0.756 387 E CB 0.816 30.553 29.700 0.062 0.000 1.152 387 E HN 0.736 nan 8.360 nan 0.000 0.416 388 F N 1.941 121.865 119.950 -0.043 0.000 2.523 388 F HA 0.339 2.597 4.527 -3.782 0.000 0.329 388 F C 0.410 175.876 175.800 -0.556 0.000 1.061 388 F CA -0.963 56.935 58.000 -0.171 0.000 0.967 388 F CB 2.071 40.803 39.000 -0.448 0.000 1.218 388 F HN 0.341 nan 8.300 nan 0.000 0.480 389 Q N 1.742 121.223 119.800 -0.532 0.000 2.293 389 Q HA 0.390 2.556 4.340 -3.624 0.000 0.261 389 Q C -0.460 175.333 176.000 -0.344 0.000 0.960 389 Q CA -0.385 54.906 55.803 -0.853 0.000 0.882 389 Q CB 1.596 29.430 28.738 -1.507 0.000 1.275 389 Q HN 0.690 nan 8.270 nan 0.000 0.445 390 I N 1.186 121.522 120.570 -0.389 0.000 3.194 390 I HA 0.009 2.004 4.170 -3.624 0.000 0.271 390 I C 1.074 177.074 176.117 -0.195 0.000 1.150 390 I CA 0.420 61.594 61.300 -0.209 0.000 1.440 390 I CB 0.200 38.028 38.000 -0.286 0.000 1.276 390 I HN 0.560 nan 8.210 nan 0.000 0.457 391 T N 2.039 116.425 114.554 -0.280 0.000 2.933 391 T HA -0.059 2.116 4.350 -3.624 0.000 0.306 391 T C 0.432 175.128 174.700 -0.007 0.000 1.045 391 T CA 0.166 62.191 62.100 -0.126 0.000 1.143 391 T CB 0.170 68.890 68.868 -0.246 0.000 1.003 391 T HN 0.233 nan 8.240 nan 0.000 0.540 392 Q N 3.510 123.391 119.800 0.135 0.000 3.170 392 Q HA 0.092 2.258 4.340 -3.624 0.000 0.346 392 Q C 1.410 177.470 176.000 0.101 0.000 1.333 392 Q CA -0.180 55.696 55.803 0.122 0.000 0.958 392 Q CB 0.205 29.008 28.738 0.108 0.000 1.600 392 Q HN 0.832 nan 8.270 nan 0.000 0.482 393 E N 0.181 120.436 120.200 0.091 0.000 2.118 393 E HA -0.217 1.959 4.350 -3.624 0.000 0.195 393 E C 0.222 176.637 176.600 -0.310 0.000 0.992 393 E CA 1.352 57.708 56.400 -0.072 0.000 0.804 393 E CB 0.266 29.794 29.700 -0.287 0.000 0.741 393 E HN 0.548 nan 8.360 nan 0.000 0.458 394 Y N -2.190 118.101 120.300 -0.014 0.000 2.500 394 Y HA 0.235 2.606 4.550 -3.632 0.000 0.246 394 Y C 0.180 175.891 175.900 -0.315 0.000 1.146 394 Y CA -0.277 57.622 58.100 -0.336 0.000 1.230 394 Y CB 0.641 38.818 38.460 -0.471 0.000 1.214 394 Y HN 0.000 nan 8.280 nan 0.000 0.526 395 F N -0.499 119.437 119.950 -0.022 0.000 2.735 395 F HA 0.506 2.864 4.527 -3.615 0.000 0.308 395 F C 1.223 176.880 175.800 -0.238 0.000 1.112 395 F CA -0.044 57.876 58.000 -0.133 0.000 1.235 395 F CB 1.099 40.029 39.000 -0.116 0.000 1.027 395 F HN 0.002 nan 8.300 nan 0.000 0.528 396 G N -0.302 108.404 108.800 -0.158 0.000 2.145 396 G HA2 -0.230 1.556 3.960 -3.624 0.000 0.176 396 G HA3 -0.230 1.556 3.960 -3.624 0.000 0.176 396 G C 0.354 175.320 174.900 0.110 0.000 1.013 396 G CA -0.398 44.437 45.100 -0.442 0.000 0.689 396 G HN 0.058 nan 8.290 nan 0.000 0.506 397 F N -1.693 118.083 119.950 -0.291 0.000 2.192 397 F HA -0.304 2.048 4.527 -3.624 0.000 0.317 397 F C 2.132 177.864 175.800 -0.113 0.000 1.454 397 F CA 1.479 59.075 58.000 -0.674 0.000 0.932 397 F CB -1.846 36.826 39.000 -0.547 0.000 4.108 397 F HN 1.214 nan 8.300 nan 0.000 0.138 398 A N -0.539 122.480 122.820 0.331 0.000 2.465 398 A HA 0.472 2.618 4.320 -3.624 0.000 0.255 398 A C 1.150 179.013 177.584 0.466 0.000 1.274 398 A CA 1.005 53.274 52.037 0.386 0.000 0.920 398 A CB -0.674 18.540 19.000 0.357 0.000 1.033 398 A HN 0.906 nan 8.150 nan 0.000 0.516 399 T N -3.911 110.943 114.554 0.499 0.000 2.971 399 T HA 0.230 2.406 4.350 -3.624 0.000 0.252 399 T C 0.494 175.478 174.700 0.474 0.000 1.022 399 T CA 0.064 62.451 62.100 0.478 0.000 0.980 399 T CB -0.280 68.851 68.868 0.438 0.000 1.044 399 T HN 0.519 nan 8.240 nan 0.000 0.501 400 H N 0.630 119.847 119.070 0.245 0.000 2.463 400 H HA 0.479 2.861 4.556 -3.623 0.000 0.332 400 H C -0.845 174.380 175.328 -0.171 0.000 1.127 400 H CA -0.936 55.174 56.048 0.104 0.000 1.238 400 H CB 2.263 32.092 29.762 0.111 0.000 1.478 400 H HN 0.115 nan 8.280 nan 0.000 0.499 401 L N 2.622 123.780 121.223 -0.109 0.000 2.278 401 L HA 0.399 2.565 4.340 -3.624 0.000 0.287 401 L C -0.460 176.297 176.870 -0.189 0.000 1.072 401 L CA -0.274 54.334 54.840 -0.386 0.000 0.819 401 L CB 0.132 41.989 42.059 -0.337 0.000 1.176 401 L HN 0.742 nan 8.230 nan 0.000 0.435 402 A N 4.798 127.494 122.820 -0.206 0.000 3.005 402 A HA 0.165 2.311 4.320 -3.624 0.000 0.308 402 A C -1.169 176.258 177.584 -0.262 0.000 1.173 402 A CA -0.479 51.436 52.037 -0.203 0.000 0.796 402 A CB 0.021 18.913 19.000 -0.181 0.000 1.325 402 A HN 0.605 nan 8.150 nan 0.000 0.467 403 Y N 1.859 121.975 120.300 -0.308 0.000 2.729 403 Y HA 0.128 2.507 4.550 -3.619 0.000 0.331 403 Y C 0.902 176.513 175.900 -0.482 0.000 1.208 403 Y CA 0.426 58.333 58.100 -0.323 0.000 1.521 403 Y CB 0.727 39.058 38.460 -0.215 0.000 1.233 403 Y HN 0.638 nan 8.280 nan 0.000 0.539 404 Q N 4.506 123.780 119.800 -0.877 0.000 2.319 404 Q HA 0.102 2.268 4.340 -3.624 0.000 0.202 404 Q C 2.102 177.089 176.000 -1.688 0.000 0.896 404 Q CA 0.645 55.690 55.803 -1.264 0.000 0.942 404 Q CB 0.203 28.205 28.738 -1.226 0.000 1.083 404 Q HN 1.109 nan 8.270 nan 0.000 0.510 405 G N 2.775 110.510 108.800 -1.776 0.000 2.574 405 G HA2 -0.259 1.527 3.960 -3.624 0.000 0.220 405 G HA3 -0.259 1.527 3.960 -3.624 0.000 0.220 405 G C -1.027 173.385 174.900 -0.813 0.000 1.173 405 G CA 0.736 45.067 45.100 -1.282 0.000 0.772 405 G HN 0.358 nan 8.290 nan 0.000 0.585 406 P HA -0.008 nan 4.420 nan 0.000 0.218 406 P C 2.000 179.084 177.300 -0.360 0.000 1.149 406 P CA 0.451 63.319 63.100 -0.386 0.000 0.817 406 P CB -0.067 31.463 31.700 -0.285 0.000 0.785 407 L N -2.020 118.880 121.223 -0.539 0.000 2.056 407 L HA -0.132 2.034 4.340 -3.624 0.000 0.207 407 L C 2.008 178.718 176.870 -0.266 0.000 1.078 407 L CA 1.628 56.246 54.840 -0.371 0.000 0.749 407 L CB -0.534 41.260 42.059 -0.441 0.000 0.901 407 L HN -0.153 nan 8.230 nan 0.000 0.433 408 F N 0.437 120.083 119.950 -0.507 0.000 2.102 408 F HA -0.195 2.377 4.527 -3.258 0.000 0.298 408 F C 2.615 178.253 175.800 -0.270 0.000 1.105 408 F CA 1.474 59.032 58.000 -0.737 0.000 1.239 408 F CB -1.176 37.289 39.000 -0.892 0.000 0.991 408 F HN 0.257 nan 8.300 nan 0.000 0.474 409 E N 0.511 120.674 120.200 -0.062 0.000 2.077 409 E HA -0.270 1.906 4.350 -3.624 0.000 0.193 409 E C 2.220 178.831 176.600 0.017 0.000 0.989 409 E CA 1.401 57.794 56.400 -0.012 0.000 0.800 409 E CB -0.196 29.476 29.700 -0.048 0.000 0.746 409 E HN 0.550 nan 8.360 nan 0.000 0.452 410 E N -0.012 120.186 120.200 -0.002 0.000 2.058 410 E HA -0.199 1.977 4.350 -3.624 0.000 0.194 410 E C 2.095 178.751 176.600 0.093 0.000 0.997 410 E CA 1.608 58.031 56.400 0.038 0.000 0.801 410 E CB -0.067 29.649 29.700 0.026 0.000 0.746 410 E HN 0.112 nan 8.360 nan 0.000 0.450 411 S N 0.511 116.301 115.700 0.150 0.000 2.343 411 S HA -0.137 2.159 4.470 -3.624 0.000 0.219 411 S C 1.963 176.628 174.600 0.109 0.000 1.033 411 S CA 1.312 59.641 58.200 0.215 0.000 1.014 411 S CB -0.305 63.158 63.200 0.438 0.000 0.915 411 S HN 0.282 nan 8.310 nan 0.000 0.435 412 L N 0.864 122.165 121.223 0.129 0.000 2.131 412 L HA -0.074 2.092 4.340 -3.624 0.000 0.210 412 L C 1.960 178.813 176.870 -0.029 0.000 1.092 412 L CA 1.161 56.016 54.840 0.025 0.000 0.759 412 L CB -0.363 41.754 42.059 0.097 0.000 0.903 412 L HN 0.202 nan 8.230 nan 0.000 0.435 413 K N -0.873 119.531 120.400 0.006 0.000 2.404 413 K HA 0.109 2.255 4.320 -3.624 0.000 0.194 413 K C 0.285 176.864 176.600 -0.035 0.000 1.023 413 K CA -0.060 56.221 56.287 -0.011 0.000 1.094 413 K CB 0.222 32.730 32.500 0.012 0.000 0.841 413 K HN 0.129 nan 8.250 nan 0.000 0.523 414 T N 2.266 116.796 114.554 -0.040 0.000 2.853 414 T HA -0.009 2.167 4.350 -3.624 0.000 0.298 414 T C -0.038 174.557 174.700 -0.176 0.000 0.978 414 T CA 0.102 62.176 62.100 -0.043 0.000 1.152 414 T CB 0.716 69.595 68.868 0.018 0.000 0.914 414 T HN 0.103 nan 8.240 nan 0.000 0.539 415 E N 2.392 122.502 120.200 -0.151 0.000 2.257 415 E HA 0.139 2.314 4.350 -3.624 0.000 0.278 415 E C 1.179 177.585 176.600 -0.324 0.000 1.049 415 E CA -0.134 56.099 56.400 -0.277 0.000 0.876 415 E CB 0.583 30.099 29.700 -0.307 0.000 1.035 415 E HN 0.673 nan 8.360 nan 0.000 0.419 416 T N 1.142 115.451 114.554 -0.409 0.000 3.022 416 T HA 0.035 2.211 4.350 -3.624 0.000 0.250 416 T C 0.350 175.055 174.700 0.007 0.000 1.060 416 T CA 0.361 62.271 62.100 -0.317 0.000 1.013 416 T CB -0.281 68.296 68.868 -0.486 0.000 0.982 416 T HN 0.695 nan 8.240 nan 0.000 0.508 417 H N 0.073 119.094 119.070 -0.082 0.000 3.010 417 H HA -0.227 2.156 4.556 -3.623 0.000 0.272 417 H C 1.779 177.105 175.328 -0.002 0.000 1.151 417 H CA 0.559 56.582 56.048 -0.043 0.000 1.159 417 H CB -1.798 27.942 29.762 -0.036 0.000 1.295 417 H HN 0.649 nan 8.280 nan 0.000 0.344 418 A N 1.030 123.892 122.820 0.070 0.000 1.903 418 A HA -0.175 1.971 4.320 -3.624 0.000 0.219 418 A C 1.939 179.581 177.584 0.096 0.000 1.191 418 A CA 1.904 54.018 52.037 0.127 0.000 0.638 418 A CB -0.103 18.950 19.000 0.089 0.000 0.823 418 A HN 0.454 nan 8.150 nan 0.000 0.451 419 R N -1.520 118.969 120.500 -0.018 0.000 2.881 419 R HA 0.425 2.591 4.340 -3.624 0.000 0.331 419 R C 0.381 176.676 176.300 -0.009 0.000 1.207 419 R CA 0.272 56.370 56.100 -0.004 0.000 1.265 419 R CB 0.328 30.591 30.300 -0.061 0.000 1.351 419 R HN 0.794 nan 8.270 nan 0.000 0.613 420 G N 1.174 109.997 108.800 0.037 0.000 2.725 420 G HA2 -0.267 1.519 3.960 -3.624 0.000 0.220 420 G HA3 -0.267 1.519 3.960 -3.624 0.000 0.220 420 G C -0.556 174.340 174.900 -0.007 0.000 1.357 420 G CA -0.823 44.312 45.100 0.058 0.000 0.866 420 G HN 0.387 nan 8.290 nan 0.000 0.548 421 E N 0.320 120.520 120.200 0.000 0.000 2.415 421 E HA 0.378 2.554 4.350 -3.624 0.000 0.262 421 E C 1.339 177.867 176.600 -0.119 0.000 1.038 421 E CA 1.310 57.651 56.400 -0.099 0.000 0.921 421 E CB 0.382 30.061 29.700 -0.034 0.000 0.950 421 E HN 2.210 nan 8.360 nan 0.000 0.438 422 G N 1.819 110.523 108.800 -0.161 0.000 2.175 422 G HA2 -0.281 1.505 3.960 -3.624 0.000 0.244 422 G HA3 -0.281 1.505 3.960 -3.624 0.000 0.244 422 G C 0.416 175.211 174.900 -0.175 0.000 0.982 422 G CA 0.178 45.195 45.100 -0.139 0.000 0.641 422 G HN 0.421 nan 8.290 nan 0.000 0.527 423 S N 2.320 117.887 115.700 -0.221 0.000 3.697 423 S HA 0.440 2.736 4.470 -3.624 0.000 0.207 423 S C 0.988 175.419 174.600 -0.282 0.000 1.459 423 S CA 0.481 58.529 58.200 -0.253 0.000 1.122 423 S CB -0.047 63.011 63.200 -0.236 0.000 1.311 423 S HN 1.053 nan 8.310 nan 0.000 0.487 424 T N -0.627 113.776 114.554 -0.251 0.000 2.813 424 T HA 0.309 2.485 4.350 -3.624 0.000 0.297 424 T C 1.592 176.103 174.700 -0.314 0.000 1.036 424 T CA -0.781 61.163 62.100 -0.260 0.000 1.044 424 T CB 0.462 69.223 68.868 -0.179 0.000 0.993 424 T HN 0.093 nan 8.240 nan 0.000 0.535 425 I N 1.707 122.069 120.570 -0.346 0.000 2.208 425 I HA -0.111 1.885 4.170 -3.624 0.000 0.245 425 I C 2.792 178.639 176.117 -0.450 0.000 1.097 425 I CA 2.034 63.083 61.300 -0.418 0.000 1.363 425 I CB -1.934 35.822 38.000 -0.407 0.000 1.051 425 I HN 0.987 nan 8.210 nan 0.000 0.413 426 G N 0.988 109.517 108.800 -0.453 0.000 2.440 426 G HA2 -0.278 1.508 3.960 -3.624 0.000 0.218 426 G HA3 -0.278 1.508 3.960 -3.624 0.000 0.218 426 G C 1.479 175.819 174.900 -0.933 0.000 1.154 426 G CA 0.688 45.262 45.100 -0.876 0.000 0.767 426 G HN 0.334 nan 8.290 nan 0.000 0.552 427 N N 0.450 118.871 118.700 -0.465 0.000 2.244 427 N HA 0.006 2.572 4.740 -3.624 0.000 0.183 427 N C 2.201 177.558 175.510 -0.254 0.000 1.016 427 N CA 0.502 53.395 53.050 -0.261 0.000 0.866 427 N CB -0.185 38.203 38.487 -0.166 0.000 0.980 427 N HN 0.367 nan 8.380 nan 0.000 0.430 428 I N 0.753 121.153 120.570 -0.284 0.000 2.142 428 I HA -0.244 1.752 4.170 -3.624 0.000 0.240 428 I C 1.960 177.998 176.117 -0.132 0.000 1.078 428 I CA 0.889 62.066 61.300 -0.206 0.000 1.343 428 I CB -0.207 37.704 38.000 -0.148 0.000 1.046 428 I HN 0.058 nan 8.210 nan 0.000 0.405 429 L N 0.189 121.276 121.223 -0.227 0.000 2.042 429 L HA -0.245 1.921 4.340 -3.624 0.000 0.210 429 L C 2.526 179.325 176.870 -0.118 0.000 1.076 429 L CA 1.490 56.226 54.840 -0.173 0.000 0.749 429 L CB -0.623 41.271 42.059 -0.275 0.000 0.893 429 L HN 0.311 nan 8.230 nan 0.000 0.432 430 E N 0.045 120.149 120.200 -0.159 0.000 2.268 430 E HA -0.151 2.025 4.350 -3.624 0.000 0.195 430 E C 1.398 177.976 176.600 -0.036 0.000 0.995 430 E CA 0.767 57.132 56.400 -0.059 0.000 0.836 430 E CB 0.068 29.784 29.700 0.027 0.000 0.763 430 E HN 0.520 nan 8.360 nan 0.000 0.491 431 G N 0.756 109.534 108.800 -0.038 0.000 2.144 431 G HA2 -0.266 1.520 3.960 -3.624 0.000 0.218 431 G HA3 -0.266 1.520 3.960 -3.624 0.000 0.218 431 G C 0.738 175.621 174.900 -0.028 0.000 0.988 431 G CA 0.358 45.456 45.100 -0.004 0.000 0.659 431 G HN 0.253 nan 8.290 nan 0.000 0.522 432 K N -0.304 120.056 120.400 -0.067 0.000 2.418 432 K HA 0.333 2.479 4.320 -3.624 0.000 0.195 432 K C 2.168 178.691 176.600 -0.128 0.000 1.035 432 K CA 1.020 57.260 56.287 -0.079 0.000 1.003 432 K CB 0.293 32.748 32.500 -0.075 0.000 0.793 432 K HN 0.362 nan 8.250 nan 0.000 0.494 433 V N 0.303 120.087 119.914 -0.215 0.000 2.484 433 V HA 0.045 1.991 4.120 -3.624 0.000 0.236 433 V C 0.462 176.337 176.094 -0.366 0.000 1.062 433 V CA 0.803 62.859 62.300 -0.406 0.000 1.081 433 V CB -0.041 31.361 31.823 -0.701 0.000 0.751 433 V HN -0.025 nan 8.190 nan 0.000 0.484 434 F N 0.779 120.731 119.950 0.004 0.000 2.422 434 F HA 0.508 2.859 4.527 -3.627 0.000 0.333 434 F C 0.367 176.173 175.800 0.010 0.000 1.095 434 F CA -1.403 56.606 58.000 0.015 0.000 1.038 434 F CB 0.456 39.473 39.000 0.029 0.000 1.156 434 F HN -0.138 nan 8.300 nan 0.000 0.483 435 K N 1.372 121.894 120.400 0.202 0.000 2.339 435 K HA 0.414 2.559 4.320 -3.624 0.000 0.286 435 K C 0.109 176.777 176.600 0.113 0.000 1.050 435 K CA -0.053 56.300 56.287 0.109 0.000 0.956 435 K CB 0.907 33.451 32.500 0.073 0.000 0.990 435 K HN 0.710 nan 8.250 nan 0.000 0.475 436 T N 0.801 115.407 114.554 0.086 0.000 2.841 436 T HA 0.352 2.528 4.350 -3.624 0.000 0.296 436 T C 0.173 174.900 174.700 0.044 0.000 1.166 436 T CA -0.723 61.428 62.100 0.086 0.000 1.007 436 T CB 1.607 70.548 68.868 0.122 0.000 1.253 436 T HN 0.606 nan 8.240 nan 0.000 0.511 437 R N 0.249 120.777 120.500 0.045 0.000 2.146 437 R HA 0.287 2.452 4.340 -3.624 0.000 0.206 437 R C 0.170 176.376 176.300 -0.157 0.000 1.049 437 R CA 0.915 56.981 56.100 -0.057 0.000 1.029 437 R CB 0.155 30.438 30.300 -0.029 0.000 0.949 437 R HN 0.616 nan 8.270 nan 0.000 0.471 438 H N -0.421 118.720 119.070 0.118 0.000 2.589 438 H HA 0.341 2.722 4.556 -3.625 0.000 0.351 438 H C -0.791 174.635 175.328 0.164 0.000 1.074 438 H CA -0.178 55.981 56.048 0.185 0.000 1.203 438 H CB 2.007 31.921 29.762 0.253 0.000 1.558 438 H HN 0.261 nan 8.280 nan 0.000 0.522 439 T N 0.434 115.150 114.554 0.271 0.000 2.924 439 T HA 0.826 3.001 4.350 -3.624 0.000 0.291 439 T C 0.321 175.119 174.700 0.163 0.000 1.045 439 T CA -0.672 61.518 62.100 0.150 0.000 1.015 439 T CB 2.726 71.618 68.868 0.040 0.000 1.103 439 T HN 0.789 nan 8.240 nan 0.000 0.496 440 G N 0.568 109.403 108.800 0.059 0.000 2.313 440 G HA2 0.527 2.313 3.960 -3.624 0.000 0.296 440 G HA3 0.527 2.313 3.960 -3.624 0.000 0.296 440 G C -1.595 173.259 174.900 -0.076 0.000 1.356 440 G CA -0.560 44.547 45.100 0.012 0.000 0.833 440 G HN 1.408 nan 8.290 nan 0.000 0.552 441 M N -1.144 118.401 119.600 -0.091 0.000 2.413 441 M HA 0.864 3.170 4.480 -3.624 0.000 0.287 441 M C -0.946 175.380 176.300 0.044 0.000 1.186 441 M CA -0.917 54.335 55.300 -0.079 0.000 0.927 441 M CB 2.161 34.708 32.600 -0.088 0.000 1.715 441 M HN 1.822 nan 8.290 nan 0.000 0.478 442 A N 1.508 124.341 122.820 0.021 0.000 2.365 442 A HA 0.988 3.134 4.320 -3.624 0.000 0.318 442 A C -0.358 177.088 177.584 -0.230 0.000 1.091 442 A CA -0.423 51.584 52.037 -0.050 0.000 0.763 442 A CB 1.668 20.532 19.000 -0.227 0.000 1.248 442 A HN 1.217 nan 8.150 nan 0.000 0.442 443 G N 0.258 108.617 108.800 -0.734 0.000 2.626 443 G HA2 0.519 2.305 3.960 -3.624 0.000 0.304 443 G HA3 0.519 2.305 3.960 -3.624 0.000 0.304 443 G C -0.966 173.370 174.900 -0.941 0.000 1.385 443 G CA -0.366 43.917 45.100 -1.361 0.000 0.957 443 G HN 0.795 nan 8.290 nan 0.000 0.504 444 V N 4.652 124.078 119.914 -0.813 0.000 2.352 444 V HA 0.088 2.034 4.120 -3.624 0.000 0.253 444 V C 1.472 177.049 176.094 -0.862 0.000 1.083 444 V CA -0.058 61.705 62.300 -0.895 0.000 0.993 444 V CB -0.229 30.930 31.823 -1.107 0.000 1.111 444 V HN 0.769 nan 8.190 nan 0.000 0.490 445 I N 0.985 121.031 120.570 -0.873 0.000 2.867 445 I HA 0.156 2.151 4.170 -3.624 0.000 0.265 445 I C 0.994 176.735 176.117 -0.628 0.000 1.162 445 I CA 0.230 61.041 61.300 -0.815 0.000 1.471 445 I CB -0.491 36.787 38.000 -1.204 0.000 1.123 445 I HN 0.652 nan 8.210 nan 0.000 0.440 446 N N 2.502 120.819 118.700 -0.637 0.000 2.699 446 N HA -0.132 2.434 4.740 -3.624 0.000 0.256 446 N C -2.173 173.214 175.510 -0.204 0.000 0.993 446 N CA -0.144 52.676 53.050 -0.383 0.000 0.759 446 N CB -1.242 36.996 38.487 -0.415 0.000 0.906 446 N HN 0.489 nan 8.380 nan 0.000 0.541 447 P HA 0.330 nan 4.420 nan 0.000 0.277 447 P C 0.519 177.857 177.300 0.063 0.000 1.271 447 P CA 0.025 63.172 63.100 0.078 0.000 0.795 447 P CB 1.244 33.114 31.700 0.283 0.000 1.101 448 G N -1.518 107.332 108.800 0.084 0.000 2.782 448 G HA2 0.408 2.194 3.960 -3.624 0.000 0.304 448 G HA3 0.408 2.194 3.960 -3.624 0.000 0.304 448 G C 0.491 175.331 174.900 -0.100 0.000 1.315 448 G CA 0.001 45.076 45.100 -0.042 0.000 0.791 448 G HN 0.440 nan 8.290 nan 0.000 0.519 449 T N -1.205 113.264 114.554 -0.141 0.000 3.113 449 T HA 0.095 2.271 4.350 -3.624 0.000 0.263 449 T C 0.324 174.931 174.700 -0.156 0.000 1.143 449 T CA 0.545 62.531 62.100 -0.189 0.000 1.090 449 T CB -0.269 68.511 68.868 -0.148 0.000 0.922 449 T HN 0.244 nan 8.240 nan 0.000 0.521 450 D N 1.874 122.228 120.400 -0.078 0.000 2.478 450 D HA 0.104 2.570 4.640 -3.624 0.000 0.234 450 D C 1.267 177.516 176.300 -0.085 0.000 1.154 450 D CA -0.106 53.874 54.000 -0.034 0.000 0.874 450 D CB 0.554 41.382 40.800 0.047 0.000 1.198 450 D HN 0.043 nan 8.370 nan 0.000 0.455 451 R N 2.250 122.724 120.500 -0.043 0.000 2.117 451 R HA -0.175 1.991 4.340 -3.624 0.000 0.243 451 R C 1.024 177.349 176.300 0.042 0.000 1.143 451 R CA 1.614 57.700 56.100 -0.024 0.000 0.968 451 R CB -0.301 30.003 30.300 0.008 0.000 0.863 451 R HN 0.527 nan 8.270 nan 0.000 0.444 452 N N -1.565 117.197 118.700 0.103 0.000 2.268 452 N HA -0.041 2.525 4.740 -3.624 0.000 0.204 452 N C -0.134 175.625 175.510 0.415 0.000 1.124 452 N CA 0.565 53.757 53.050 0.237 0.000 0.838 452 N CB -0.318 38.289 38.487 0.200 0.000 0.994 452 N HN 0.391 nan 8.380 nan 0.000 0.489 453 W N -0.923 120.439 121.300 0.104 0.000 1.002 453 W HA -0.326 2.164 4.660 -3.617 0.000 0.223 453 W C 1.459 178.097 176.519 0.197 0.000 0.933 453 W CA 1.993 59.426 57.345 0.147 0.000 0.361 453 W CB -1.943 27.613 29.460 0.161 0.000 1.930 453 W HN 0.446 nan 8.180 nan 0.000 1.341 454 T N -3.747 111.061 114.554 0.423 0.000 3.040 454 T HA 0.584 2.760 4.350 -3.624 0.000 0.266 454 T C 1.552 176.432 174.700 0.299 0.000 1.005 454 T CA 1.250 63.565 62.100 0.357 0.000 0.906 454 T CB 0.507 69.613 68.868 0.396 0.000 1.082 454 T HN 1.364 nan 8.240 nan 0.000 0.531 455 G N 1.917 110.874 108.800 0.262 0.000 5.356 455 G HA2 -0.322 1.464 3.960 -3.624 0.000 0.309 455 G HA3 -0.322 1.464 3.960 -3.624 0.000 0.309 455 G C -0.020 175.041 174.900 0.269 0.000 1.451 455 G CA 0.163 45.410 45.100 0.244 0.000 0.978 455 G HN 0.949 nan 8.290 nan 0.000 0.771 456 H N 3.753 122.961 119.070 0.230 0.000 2.690 456 H HA 0.467 2.851 4.556 -3.620 0.000 0.314 456 H C -1.042 174.450 175.328 0.274 0.000 1.069 456 H CA -1.149 55.043 56.048 0.241 0.000 1.436 456 H CB 1.712 31.617 29.762 0.238 0.000 1.462 456 H HN 0.132 nan 8.280 nan 0.000 0.511 457 P HA -0.201 nan 4.420 nan 0.000 0.217 457 P C 0.596 178.177 177.300 0.469 0.000 1.148 457 P CA 1.285 64.628 63.100 0.406 0.000 0.828 457 P CB 0.086 32.002 31.700 0.360 0.000 0.783 458 F N -1.603 118.696 119.950 0.581 0.000 2.661 458 F HA -0.061 2.288 4.527 -3.629 0.000 0.298 458 F C 2.120 177.930 175.800 0.018 0.000 1.137 458 F CA 0.563 58.704 58.000 0.235 0.000 1.454 458 F CB -0.988 38.066 39.000 0.091 0.000 1.103 458 F HN -0.274 nan 8.300 nan 0.000 0.577 459 V N -0.202 119.863 119.914 0.251 0.000 2.594 459 V HA -0.310 1.636 4.120 -3.624 0.000 0.253 459 V C 2.110 178.330 176.094 0.210 0.000 1.069 459 V CA 1.681 64.086 62.300 0.175 0.000 1.082 459 V CB -0.757 31.196 31.823 0.216 0.000 0.680 459 V HN 0.380 nan 8.190 nan 0.000 0.469 460 Q N 0.653 120.614 119.800 0.267 0.000 2.152 460 Q HA -0.232 1.934 4.340 -3.624 0.000 0.206 460 Q C 2.466 178.511 176.000 0.075 0.000 0.985 460 Q CA 2.098 58.124 55.803 0.372 0.000 0.863 460 Q CB -0.436 28.621 28.738 0.531 0.000 0.904 460 Q HN 0.815 nan 8.270 nan 0.000 0.422 461 S N -0.110 115.179 115.700 -0.685 0.000 2.399 461 S HA -0.117 2.179 4.470 -3.624 0.000 0.231 461 S C 2.014 176.471 174.600 -0.239 0.000 1.022 461 S CA 1.344 58.752 58.200 -1.321 0.000 0.983 461 S CB -0.173 61.845 63.200 -1.970 0.000 0.803 461 S HN 0.181 nan 8.310 nan 0.000 0.480 462 S N 0.448 116.151 115.700 0.006 0.000 2.371 462 S HA 0.005 2.301 4.470 -3.624 0.000 0.224 462 S C 1.269 176.050 174.600 0.301 0.000 1.029 462 S CA 0.728 59.003 58.200 0.125 0.000 0.978 462 S CB -0.557 62.648 63.200 0.008 0.000 0.833 462 S HN 0.792 nan 8.310 nan 0.000 0.466 463 W N 1.972 123.326 121.300 0.090 0.000 2.355 463 W HA -0.155 2.339 4.660 -3.610 0.000 0.309 463 W C 1.978 178.547 176.519 0.083 0.000 1.206 463 W CA 0.840 58.265 57.345 0.134 0.000 1.284 463 W CB -1.267 28.310 29.460 0.195 0.000 1.145 463 W HN 0.376 nan 8.180 nan 0.000 0.502 464 Y N 1.286 121.556 120.300 -0.051 0.000 2.081 464 Y HA -0.238 2.142 4.550 -3.616 0.000 0.280 464 Y C 2.615 178.379 175.900 -0.227 0.000 1.163 464 Y CA 3.514 61.281 58.100 -0.556 0.000 1.135 464 Y CB -1.021 36.965 38.460 -0.791 0.000 0.970 464 Y HN -0.053 nan 8.280 nan 0.000 0.498 465 A N -0.229 122.622 122.820 0.052 0.000 1.902 465 A HA -0.208 1.938 4.320 -3.624 0.000 0.217 465 A C 2.178 179.769 177.584 0.012 0.000 1.181 465 A CA 1.504 53.580 52.037 0.064 0.000 0.623 465 A CB -1.560 17.560 19.000 0.199 0.000 0.818 465 A HN 0.662 nan 8.150 nan 0.000 0.443 466 F N 1.310 121.254 119.950 -0.010 0.000 2.065 466 F HA -0.104 4.164 4.527 -0.430 0.000 0.298 466 F C 2.286 177.991 175.800 -0.158 0.000 1.112 466 F CA 1.826 59.710 58.000 -0.193 0.000 1.212 466 F CB -0.880 37.983 39.000 -0.227 0.000 0.975 466 F HN 0.183 nan 8.300 nan 0.000 0.476 467 G N 0.652 109.267 108.800 -0.308 0.000 2.446 467 G HA2 -0.239 1.547 3.960 -3.624 0.000 0.217 467 G HA3 -0.239 1.547 3.960 -3.624 0.000 0.217 467 G C 1.797 176.435 174.900 -0.436 0.000 1.168 467 G CA 0.694 45.551 45.100 -0.405 0.000 0.771 467 G HN 0.230 nan 8.290 nan 0.000 0.551 468 R N -0.063 120.145 120.500 -0.487 0.000 2.081 468 R HA 0.061 2.227 4.340 -3.624 0.000 0.235 468 R C 2.611 178.781 176.300 -0.216 0.000 1.131 468 R CA 1.105 56.965 56.100 -0.399 0.000 0.960 468 R CB -0.767 29.250 30.300 -0.471 0.000 0.856 468 R HN 0.423 nan 8.270 nan 0.000 0.436 469 M N -0.123 119.335 119.600 -0.238 0.000 2.319 469 M HA 0.000 2.306 4.480 -3.624 0.000 0.265 469 M C 2.251 178.438 176.300 -0.188 0.000 1.068 469 M CA 1.288 56.493 55.300 -0.157 0.000 1.118 469 M CB -0.164 32.375 32.600 -0.102 0.000 1.395 469 M HN 0.126 nan 8.290 nan 0.000 0.435 470 A N -0.126 122.470 122.820 -0.373 0.000 1.969 470 A HA -0.180 1.966 4.320 -3.624 0.000 0.218 470 A C 2.003 179.485 177.584 -0.170 0.000 1.169 470 A CA 0.886 52.711 52.037 -0.354 0.000 0.635 470 A CB -0.907 17.738 19.000 -0.592 0.000 0.810 470 A HN 0.778 nan 8.150 nan 0.000 0.445 471 W N 0.350 121.468 121.300 -0.303 0.000 2.407 471 W HA 0.020 2.494 4.660 -3.643 0.000 0.305 471 W C -0.740 175.656 176.519 -0.206 0.000 1.196 471 W CA 1.707 58.904 57.345 -0.247 0.000 1.311 471 W CB 0.157 29.452 29.460 -0.276 0.000 1.135 471 W HN 0.350 nan 8.180 nan 0.000 0.514 472 D N -1.036 119.370 120.400 0.008 0.000 2.386 472 D HA 0.030 2.496 4.640 -3.624 0.000 0.247 472 D C 1.097 177.313 176.300 -0.140 0.000 1.336 472 D CA -0.324 53.604 54.000 -0.120 0.000 0.976 472 D CB 0.121 40.914 40.800 -0.012 0.000 1.257 472 D HN 0.260 nan 8.370 nan 0.000 0.570 473 H N 1.926 120.945 119.070 -0.085 0.000 2.561 473 H HA 0.015 2.392 4.556 -3.631 0.000 0.278 473 H C 0.277 175.575 175.328 -0.050 0.000 1.014 473 H CA 0.517 56.522 56.048 -0.072 0.000 1.211 473 H CB 0.386 30.097 29.762 -0.086 0.000 1.365 473 H HN 0.428 nan 8.280 nan 0.000 0.594 474 Q N 0.757 120.437 119.800 -0.200 0.000 2.392 474 Q HA 0.249 2.414 4.340 -3.624 0.000 0.203 474 Q C 0.397 176.369 176.000 -0.047 0.000 0.917 474 Q CA -0.309 55.441 55.803 -0.088 0.000 0.939 474 Q CB 0.698 29.343 28.738 -0.155 0.000 1.063 474 Q HN 0.457 nan 8.270 nan 0.000 0.516 475 I N 2.355 122.895 120.570 -0.049 0.000 2.683 475 I HA -0.076 1.919 4.170 -3.624 0.000 0.286 475 I C 0.814 176.932 176.117 0.001 0.000 1.175 475 I CA -0.027 61.259 61.300 -0.023 0.000 1.429 475 I CB 0.643 38.621 38.000 -0.036 0.000 1.371 475 I HN 0.100 nan 8.210 nan 0.000 0.569 476 S N 5.102 120.811 115.700 0.016 0.000 2.632 476 S HA 0.398 2.694 4.470 -3.624 0.000 0.267 476 S C 1.097 175.726 174.600 0.048 0.000 1.276 476 S CA -0.270 57.946 58.200 0.025 0.000 0.998 476 S CB 1.740 64.958 63.200 0.030 0.000 0.953 476 S HN 0.715 nan 8.310 nan 0.000 0.547 477 A N 1.736 124.578 122.820 0.037 0.000 1.933 477 A HA 0.139 2.284 4.320 -3.624 0.000 0.218 477 A C 2.363 180.077 177.584 0.217 0.000 1.175 477 A CA 1.781 53.873 52.037 0.092 0.000 0.628 477 A CB -1.659 17.321 19.000 -0.034 0.000 0.814 477 A HN 1.331 nan 8.150 nan 0.000 0.444 478 A N -0.988 121.910 122.820 0.130 0.000 1.877 478 A HA -0.098 2.047 4.320 -3.624 0.000 0.216 478 A C 2.328 179.979 177.584 0.110 0.000 1.186 478 A CA 2.335 54.440 52.037 0.113 0.000 0.620 478 A CB -1.338 17.705 19.000 0.072 0.000 0.822 478 A HN 0.416 nan 8.150 nan 0.000 0.443 479 T N 0.308 114.920 114.554 0.098 0.000 2.684 479 T HA -0.055 2.121 4.350 -3.624 0.000 0.267 479 T C 2.227 177.007 174.700 0.134 0.000 1.036 479 T CA 1.772 63.931 62.100 0.098 0.000 1.148 479 T CB -0.504 68.406 68.868 0.070 0.000 0.863 479 T HN 0.606 nan 8.240 nan 0.000 0.436 480 A N 1.354 124.274 122.820 0.166 0.000 1.902 480 A HA 0.126 2.272 4.320 -3.624 0.000 0.217 480 A C 2.627 180.357 177.584 0.243 0.000 1.181 480 A CA 1.896 54.090 52.037 0.260 0.000 0.623 480 A CB -1.071 18.090 19.000 0.269 0.000 0.818 480 A HN 0.515 nan 8.150 nan 0.000 0.443 481 A N -0.343 122.573 122.820 0.160 0.000 1.902 481 A HA -0.210 1.936 4.320 -3.624 0.000 0.217 481 A C 1.968 179.612 177.584 0.101 0.000 1.181 481 A CA 1.800 53.841 52.037 0.007 0.000 0.623 481 A CB -0.606 18.330 19.000 -0.106 0.000 0.818 481 A HN 0.625 nan 8.150 nan 0.000 0.443 482 D N -0.454 120.008 120.400 0.103 0.000 2.097 482 D HA -0.182 2.284 4.640 -3.624 0.000 0.195 482 D C 1.800 178.160 176.300 0.100 0.000 0.989 482 D CA 1.606 55.666 54.000 0.100 0.000 0.827 482 D CB -0.066 40.794 40.800 0.101 0.000 0.966 482 D HN 0.640 nan 8.370 nan 0.000 0.456 483 E N -0.272 119.991 120.200 0.106 0.000 2.038 483 E HA -0.196 1.980 4.350 -3.624 0.000 0.195 483 E C 1.928 178.460 176.600 -0.114 0.000 1.000 483 E CA 1.102 57.536 56.400 0.057 0.000 0.803 483 E CB -0.385 29.401 29.700 0.143 0.000 0.750 483 E HN 0.421 nan 8.360 nan 0.000 0.448 484 W N 1.586 122.601 121.300 -0.475 0.000 2.338 484 W HA -0.172 2.328 4.660 -3.600 0.000 0.304 484 W C 1.796 178.160 176.519 -0.259 0.000 1.212 484 W CA 1.356 58.284 57.345 -0.694 0.000 1.264 484 W CB -0.249 28.778 29.460 -0.723 0.000 1.142 484 W HN -0.028 nan 8.180 nan 0.000 0.512 485 L N 0.243 121.471 121.223 0.009 0.000 2.046 485 L HA -0.192 1.974 4.340 -3.624 0.000 0.208 485 L C 2.743 179.630 176.870 0.028 0.000 1.077 485 L CA 1.562 56.440 54.840 0.064 0.000 0.747 485 L CB -0.807 41.419 42.059 0.278 0.000 0.896 485 L HN -0.072 nan 8.230 nan 0.000 0.432 486 R N -0.365 120.138 120.500 0.006 0.000 2.081 486 R HA -0.122 2.044 4.340 -3.624 0.000 0.235 486 R C 2.251 178.499 176.300 -0.086 0.000 1.131 486 R CA 1.472 57.575 56.100 0.006 0.000 0.960 486 R CB -0.285 30.040 30.300 0.042 0.000 0.856 486 R HN 0.341 nan 8.270 nan 0.000 0.436 487 M N -0.825 118.669 119.600 -0.177 0.000 2.349 487 M HA -0.042 2.264 4.480 -3.624 0.000 0.266 487 M C 1.569 177.667 176.300 -0.337 0.000 1.076 487 M CA 1.295 56.477 55.300 -0.197 0.000 1.126 487 M CB 0.232 32.730 32.600 -0.169 0.000 1.392 487 M HN 0.047 nan 8.290 nan 0.000 0.440 488 T N -0.981 113.232 114.554 -0.567 0.000 3.042 488 T HA 0.167 2.343 4.350 -3.624 0.000 0.245 488 T C 0.956 175.158 174.700 -0.830 0.000 1.029 488 T CA 0.712 62.295 62.100 -0.863 0.000 1.120 488 T CB 0.196 68.116 68.868 -1.580 0.000 0.917 488 T HN 0.131 nan 8.240 nan 0.000 0.467 489 F N 0.657 120.409 119.950 -0.331 0.000 2.522 489 F HA 0.535 2.887 4.527 -3.626 0.000 0.275 489 F C 0.915 176.533 175.800 -0.304 0.000 0.890 489 F CA -0.236 57.605 58.000 -0.265 0.000 1.157 489 F CB 0.361 39.270 39.000 -0.152 0.000 1.117 489 F HN -0.018 nan 8.300 nan 0.000 0.787 490 S N -0.914 114.759 115.700 -0.045 0.000 2.565 490 S HA 0.280 2.576 4.470 -3.624 0.000 0.274 490 S C -0.737 173.871 174.600 0.014 0.000 1.144 490 S CA -0.689 57.436 58.200 -0.125 0.000 0.849 490 S CB 0.771 63.686 63.200 -0.475 0.000 1.103 490 S HN 0.172 nan 8.310 nan 0.000 0.455 491 N N 1.553 120.256 118.700 0.006 0.000 2.270 491 N HA 0.080 2.646 4.740 -3.624 0.000 0.198 491 N C -0.533 174.989 175.510 0.020 0.000 1.117 491 N CA -0.014 53.056 53.050 0.033 0.000 0.845 491 N CB 0.337 38.840 38.487 0.028 0.000 0.980 491 N HN 0.557 nan 8.380 nan 0.000 0.486 492 Q N 1.024 120.820 119.800 -0.008 0.000 2.271 492 Q HA 0.086 2.252 4.340 -3.624 0.000 0.273 492 Q C -1.528 174.435 176.000 -0.062 0.000 1.051 492 Q CA -1.177 54.593 55.803 -0.056 0.000 0.901 492 Q CB 1.018 29.664 28.738 -0.154 0.000 1.174 492 Q HN 0.124 nan 8.270 nan 0.000 0.385 493 P HA -0.174 nan 4.420 nan 0.000 0.216 493 P C 0.818 178.066 177.300 -0.086 0.000 1.150 493 P CA 1.647 64.721 63.100 -0.045 0.000 0.837 493 P CB 0.258 31.940 31.700 -0.029 0.000 0.786 494 A N -1.899 120.838 122.820 -0.138 0.000 2.067 494 A HA -0.148 1.998 4.320 -3.624 0.000 0.219 494 A C 1.972 179.402 177.584 -0.256 0.000 1.158 494 A CA 1.017 52.960 52.037 -0.156 0.000 0.661 494 A CB -1.590 17.360 19.000 -0.082 0.000 0.801 494 A HN 0.194 nan 8.150 nan 0.000 0.452 495 F N 0.358 119.958 119.950 -0.583 0.000 2.147 495 F HA 0.018 2.370 4.527 -3.625 0.000 0.291 495 F C 1.899 177.587 175.800 -0.186 0.000 1.093 495 F CA 0.876 58.580 58.000 -0.493 0.000 1.263 495 F CB -0.076 38.536 39.000 -0.647 0.000 1.036 495 F HN 0.084 nan 8.300 nan 0.000 0.481 496 I N 0.960 121.447 120.570 -0.137 0.000 2.118 496 I HA -0.288 1.708 4.170 -3.624 0.000 0.241 496 I C 2.390 178.397 176.117 -0.183 0.000 1.070 496 I CA 1.923 63.136 61.300 -0.144 0.000 1.327 496 I CB -1.413 36.598 38.000 0.018 0.000 1.034 496 I HN 0.273 nan 8.210 nan 0.000 0.405 497 E N 1.754 121.880 120.200 -0.123 0.000 2.033 497 E HA -0.180 1.996 4.350 -3.624 0.000 0.199 497 E C -0.632 175.910 176.600 -0.097 0.000 1.011 497 E CA 2.150 58.500 56.400 -0.083 0.000 0.815 497 E CB -1.210 28.459 29.700 -0.052 0.000 0.755 497 E HN 0.286 nan 8.360 nan 0.000 0.451 498 P HA -0.096 nan 4.420 nan 0.000 0.217 498 P C 1.425 178.658 177.300 -0.111 0.000 1.151 498 P CA 1.098 64.144 63.100 -0.089 0.000 0.828 498 P CB 0.062 31.721 31.700 -0.068 0.000 0.788 499 V N 0.951 120.722 119.914 -0.238 0.000 2.453 499 V HA -0.165 1.781 4.120 -3.624 0.000 0.247 499 V C 2.866 178.913 176.094 -0.078 0.000 1.048 499 V CA 1.740 63.924 62.300 -0.192 0.000 1.049 499 V CB -1.178 30.344 31.823 -0.502 0.000 0.672 499 V HN 0.126 nan 8.190 nan 0.000 0.457 500 K N -0.131 120.212 120.400 -0.094 0.000 2.032 500 K HA -0.243 1.903 4.320 -3.624 0.000 0.209 500 K C 2.341 178.936 176.600 -0.008 0.000 1.048 500 K CA 1.606 57.877 56.287 -0.028 0.000 0.927 500 K CB -0.123 32.367 32.500 -0.017 0.000 0.712 500 K HN 0.327 nan 8.250 nan 0.000 0.441 501 Q N 0.405 120.195 119.800 -0.016 0.000 2.096 501 Q HA -0.216 1.950 4.340 -3.624 0.000 0.204 501 Q C 2.047 178.047 176.000 0.000 0.000 0.982 501 Q CA 1.732 57.535 55.803 -0.001 0.000 0.850 501 Q CB -0.368 28.367 28.738 -0.005 0.000 0.901 501 Q HN 0.499 nan 8.270 nan 0.000 0.422 502 M N -0.384 119.209 119.600 -0.012 0.000 2.080 502 M HA -0.213 2.093 4.480 -3.624 0.000 0.260 502 M C 2.079 178.357 176.300 -0.036 0.000 1.068 502 M CA 1.491 56.777 55.300 -0.023 0.000 1.109 502 M CB -0.045 32.540 32.600 -0.024 0.000 1.342 502 M HN 0.203 nan 8.290 nan 0.000 0.405 503 M N 0.054 119.641 119.600 -0.021 0.000 2.080 503 M HA -0.247 2.059 4.480 -3.624 0.000 0.260 503 M C 2.032 178.409 176.300 0.128 0.000 1.068 503 M CA 1.640 56.947 55.300 0.010 0.000 1.109 503 M CB -0.519 32.026 32.600 -0.092 0.000 1.342 503 M HN 0.345 nan 8.290 nan 0.000 0.405 504 L N -1.014 120.274 121.223 0.109 0.000 2.201 504 L HA -0.143 2.023 4.340 -3.624 0.000 0.212 504 L C 2.348 179.236 176.870 0.029 0.000 1.105 504 L CA 0.526 55.429 54.840 0.105 0.000 0.775 504 L CB -0.485 41.619 42.059 0.075 0.000 0.913 504 L HN 0.179 nan 8.230 nan 0.000 0.440 505 V N -0.733 119.188 119.914 0.012 0.000 3.235 505 V HA -0.139 1.807 4.120 -3.624 0.000 0.259 505 V C 2.500 178.582 176.094 -0.019 0.000 1.133 505 V CA 1.371 63.667 62.300 -0.005 0.000 1.128 505 V CB 0.218 32.042 31.823 0.001 0.000 0.757 505 V HN 0.618 nan 8.190 nan 0.000 0.469 506 S N 0.450 116.134 115.700 -0.026 0.000 2.383 506 S HA -0.264 2.031 4.470 -3.624 0.000 0.229 506 S C 2.170 176.737 174.600 -0.055 0.000 1.030 506 S CA 1.358 59.534 58.200 -0.039 0.000 1.002 506 S CB -0.640 62.516 63.200 -0.074 0.000 0.829 506 S HN 0.582 nan 8.310 nan 0.000 0.467 507 R N 1.580 122.009 120.500 -0.118 0.000 2.083 507 R HA -0.089 2.077 4.340 -3.624 0.000 0.237 507 R C 2.247 178.538 176.300 -0.015 0.000 1.137 507 R CA 2.164 58.176 56.100 -0.147 0.000 0.951 507 R CB -0.856 29.278 30.300 -0.276 0.000 0.851 507 R HN 0.521 nan 8.270 nan 0.000 0.434 508 E N 0.152 120.323 120.200 -0.048 0.000 2.106 508 E HA -0.044 2.132 4.350 -3.624 0.000 0.192 508 E C 1.766 178.315 176.600 -0.084 0.000 0.984 508 E CA 1.471 57.840 56.400 -0.053 0.000 0.806 508 E CB -0.254 29.422 29.700 -0.040 0.000 0.750 508 E HN 0.407 nan 8.360 nan 0.000 0.458 509 A N 0.157 122.946 122.820 -0.051 0.000 1.883 509 A HA -0.136 2.010 4.320 -3.624 0.000 0.217 509 A C 2.473 179.885 177.584 -0.287 0.000 1.186 509 A CA 1.939 53.962 52.037 -0.024 0.000 0.624 509 A CB -1.415 17.643 19.000 0.097 0.000 0.822 509 A HN 0.409 nan 8.150 nan 0.000 0.444 510 G N -0.873 107.735 108.800 -0.321 0.000 2.432 510 G HA2 -0.079 1.707 3.960 -3.624 0.000 0.219 510 G HA3 -0.079 1.707 3.960 -3.624 0.000 0.219 510 G C 1.461 175.913 174.900 -0.747 0.000 1.135 510 G CA 1.231 45.932 45.100 -0.665 0.000 0.767 510 G HN 0.342 nan 8.290 nan 0.000 0.550 511 V N 1.031 120.703 119.914 -0.403 0.000 2.323 511 V HA -0.177 1.768 4.120 -3.624 0.000 0.244 511 V C 2.502 178.321 176.094 -0.458 0.000 1.041 511 V CA 2.050 64.121 62.300 -0.382 0.000 1.025 511 V CB -0.733 30.975 31.823 -0.192 0.000 0.656 511 V HN 0.425 nan 8.190 nan 0.000 0.451 512 N N -0.120 118.351 118.700 -0.382 0.000 2.120 512 N HA -0.213 2.353 4.740 -3.624 0.000 0.188 512 N C 1.782 177.064 175.510 -0.380 0.000 1.024 512 N CA 1.832 54.679 53.050 -0.339 0.000 0.852 512 N CB -0.247 38.139 38.487 -0.168 0.000 1.003 512 N HN 0.804 nan 8.380 nan 0.000 0.424 513 Y N -0.411 119.741 120.300 -0.246 0.000 2.529 513 Y HA 0.327 2.704 4.550 -3.622 0.000 0.290 513 Y C 1.657 177.538 175.900 -0.031 0.000 1.177 513 Y CA -0.143 57.912 58.100 -0.075 0.000 1.305 513 Y CB -0.058 38.372 38.460 -0.049 0.000 1.047 513 Y HN -0.097 nan 8.280 nan 0.000 0.522 514 R N 0.592 120.838 120.500 -0.423 0.000 2.119 514 R HA 0.276 2.442 4.340 -3.624 0.000 0.202 514 R C -0.232 176.005 176.300 -0.105 0.000 1.114 514 R CA 1.000 56.822 56.100 -0.464 0.000 1.089 514 R CB 0.324 29.926 30.300 -1.163 0.000 1.000 514 R HN 0.299 nan 8.270 nan 0.000 0.487 515 S N 0.677 116.162 115.700 -0.359 0.000 2.769 515 S HA 0.253 2.549 4.470 -3.624 0.000 0.150 515 S C -2.852 171.548 174.600 -0.332 0.000 1.034 515 S CA -1.236 56.816 58.200 -0.247 0.000 1.096 515 S CB 1.698 64.793 63.200 -0.175 0.000 1.567 515 S HN -0.051 nan 8.310 nan 0.000 0.435 516 P HA 0.534 nan 4.420 nan 0.000 0.282 516 P C 0.649 177.810 177.300 -0.231 0.000 1.287 516 P CA -0.475 62.433 63.100 -0.322 0.000 0.792 516 P CB 0.402 31.874 31.700 -0.379 0.000 1.163 517 L N -2.278 118.849 121.223 -0.161 0.000 4.429 517 L HA -0.298 1.868 4.340 -3.624 0.000 0.422 517 L C 1.147 177.921 176.870 -0.159 0.000 1.149 517 L CA 0.714 55.480 54.840 -0.125 0.000 0.972 517 L CB -2.607 39.383 42.059 -0.115 0.000 2.059 517 L HN 0.867 nan 8.230 nan 0.000 0.870 518 G N -1.198 107.482 108.800 -0.200 0.000 2.179 518 G HA2 -0.250 1.535 3.960 -3.624 0.000 0.220 518 G HA3 -0.250 1.535 3.960 -3.624 0.000 0.220 518 G C 0.244 174.713 174.900 -0.718 0.000 0.990 518 G CA 0.149 45.004 45.100 -0.408 0.000 0.646 518 G HN 0.242 nan 8.290 nan 0.000 0.517 519 L N 0.400 121.373 121.223 -0.417 0.000 2.473 519 L HA 0.636 2.802 4.340 -3.624 0.000 0.268 519 L C 0.904 177.531 176.870 -0.405 0.000 1.215 519 L CA 0.865 55.502 54.840 -0.338 0.000 0.823 519 L CB 1.180 43.160 42.059 -0.132 0.000 1.099 519 L HN 0.242 nan 8.230 nan 0.000 0.483 520 T N -0.700 113.673 114.554 -0.302 0.000 2.827 520 T HA 0.191 2.367 4.350 -3.624 0.000 0.328 520 T C -0.536 174.110 174.700 -0.089 0.000 1.598 520 T CA -0.434 61.503 62.100 -0.271 0.000 1.043 520 T CB 0.509 69.033 68.868 -0.574 0.000 1.447 520 T HN 0.789 nan 8.240 nan 0.000 0.491 521 H N 2.215 121.163 119.070 -0.204 0.000 2.819 521 H HA -0.099 2.282 4.556 -3.625 0.000 0.323 521 H C -0.046 175.294 175.328 0.020 0.000 1.243 521 H CA 0.939 56.889 56.048 -0.163 0.000 1.163 521 H CB -1.074 28.293 29.762 -0.658 0.000 1.493 521 H HN 0.483 nan 8.280 nan 0.000 0.434 522 L N 0.683 121.881 121.223 -0.041 0.000 2.700 522 L HA 0.141 2.306 4.340 -3.624 0.000 0.234 522 L C 0.670 177.410 176.870 -0.216 0.000 1.156 522 L CA -0.090 54.705 54.840 -0.076 0.000 0.946 522 L CB -0.073 41.989 42.059 0.005 0.000 1.216 522 L HN 0.121 nan 8.230 nan 0.000 0.493 523 Y N 0.335 120.596 120.300 -0.067 0.000 2.357 523 Y HA 0.048 2.426 4.550 -3.620 0.000 0.340 523 Y C 1.380 177.218 175.900 -0.102 0.000 1.260 523 Y CA 0.139 58.245 58.100 0.008 0.000 1.425 523 Y CB 0.665 39.204 38.460 0.131 0.000 1.326 523 Y HN -0.101 nan 8.280 nan 0.000 0.580 524 S N 2.514 118.238 115.700 0.040 0.000 2.546 524 S HA 0.014 2.310 4.470 -3.624 0.000 0.290 524 S C -0.471 174.208 174.600 0.132 0.000 1.290 524 S CA -0.768 57.441 58.200 0.014 0.000 1.069 524 S CB 0.049 63.245 63.200 -0.007 0.000 0.846 524 S HN 0.469 nan 8.310 nan 0.000 0.495 525 Q N 3.045 122.897 119.800 0.088 0.000 2.282 525 Q HA 0.421 2.587 4.340 -3.624 0.000 0.260 525 Q C 0.751 176.751 176.000 -0.001 0.000 0.964 525 Q CA -0.253 55.594 55.803 0.074 0.000 0.880 525 Q CB 1.694 30.524 28.738 0.154 0.000 1.286 525 Q HN 0.895 nan 8.270 nan 0.000 0.445 526 G N 1.256 109.995 108.800 -0.101 0.000 3.337 526 G HA2 -0.058 1.728 3.960 -3.624 0.000 0.246 526 G HA3 -0.058 1.728 3.960 -3.624 0.000 0.246 526 G C 0.635 174.904 174.900 -1.053 0.000 1.131 526 G CA -0.033 44.875 45.100 -0.320 0.000 0.773 526 G HN 0.662 nan 8.290 nan 0.000 0.544 527 D N 0.240 119.992 120.400 -1.079 0.000 2.194 527 D HA -0.140 2.326 4.640 -3.624 0.000 0.204 527 D C 0.629 176.808 176.300 -0.203 0.000 0.964 527 D CA 0.727 54.184 54.000 -0.904 0.000 0.846 527 D CB -0.382 40.149 40.800 -0.448 0.000 0.962 527 D HN 0.307 nan 8.370 nan 0.000 0.490 528 H N -1.774 117.343 119.070 0.078 0.000 3.109 528 H HA -0.215 2.166 4.556 -3.625 0.000 0.245 528 H C 0.552 176.052 175.328 0.287 0.000 1.187 528 H CA 0.841 56.997 56.048 0.179 0.000 1.136 528 H CB -2.598 27.110 29.762 -0.090 0.000 1.243 528 H HN 0.367 nan 8.280 nan 0.000 0.328 529 Y N 1.074 121.389 120.300 0.024 0.000 2.176 529 Y HA 0.294 2.668 4.550 -3.627 0.000 0.291 529 Y C 1.806 177.717 175.900 0.020 0.000 1.122 529 Y CA 1.570 59.398 58.100 -0.453 0.000 1.128 529 Y CB 0.135 38.192 38.460 -0.672 0.000 1.005 529 Y HN 0.313 nan 8.280 nan 0.000 0.509 530 G N -0.323 108.433 108.800 -0.073 0.000 2.667 530 G HA2 0.473 2.259 3.960 -3.624 0.000 0.310 530 G HA3 0.473 2.259 3.960 -3.624 0.000 0.310 530 G C -2.873 171.454 174.900 -0.955 0.000 1.259 530 G CA -1.795 42.996 45.100 -0.515 0.000 1.019 530 G HN -0.055 nan 8.290 nan 0.000 0.496 531 P HA 0.383 nan 4.420 nan 0.000 0.275 531 P C -0.601 176.102 177.300 -0.996 0.000 1.227 531 P CA -0.014 62.085 63.100 -1.668 0.000 0.781 531 P CB 1.750 32.581 31.700 -1.448 0.000 0.906 532 A N 4.345 126.520 122.820 -1.074 0.000 3.455 532 A HA 0.325 2.471 4.320 -3.624 0.000 0.225 532 A C -1.827 174.874 177.584 -1.471 0.000 1.052 532 A CA -0.631 50.486 52.037 -1.533 0.000 1.005 532 A CB 0.324 18.885 19.000 -0.732 0.000 1.318 532 A HN 0.307 nan 8.150 nan 0.000 0.639 533 P HA -0.117 nan 4.420 nan 0.000 0.230 533 P C 0.934 177.643 177.300 -0.985 0.000 1.158 533 P CA 0.890 63.450 63.100 -0.900 0.000 0.769 533 P CB -0.296 30.874 31.700 -0.882 0.000 0.807 534 W N -0.323 120.459 121.300 -0.863 0.000 2.905 534 W HA 0.215 2.703 4.660 -3.620 0.000 0.251 534 W C 0.151 176.603 176.519 -0.111 0.000 1.305 534 W CA -0.203 56.789 57.345 -0.588 0.000 1.465 534 W CB -2.189 27.051 29.460 -0.367 0.000 1.122 534 W HN -0.314 nan 8.180 nan 0.000 0.659 535 T N 3.140 117.622 114.554 -0.119 0.000 2.800 535 T HA -0.012 2.164 4.350 -3.624 0.000 0.283 535 T C -0.291 174.518 174.700 0.181 0.000 0.999 535 T CA 0.962 63.121 62.100 0.098 0.000 1.176 535 T CB -0.006 68.883 68.868 0.035 0.000 0.973 535 T HN 0.145 nan 8.240 nan 0.000 0.519 536 D N 0.921 121.447 120.400 0.210 0.000 2.752 536 D HA 0.205 2.671 4.640 -3.624 0.000 0.313 536 D C -0.978 175.424 176.300 0.170 0.000 1.225 536 D CA -0.586 53.529 54.000 0.191 0.000 0.976 536 D CB 1.343 42.257 40.800 0.191 0.000 1.443 536 D HN 0.437 nan 8.370 nan 0.000 0.515 537 D N 0.491 120.975 120.400 0.141 0.000 2.890 537 D HA -0.191 2.275 4.640 -3.624 0.000 0.226 537 D C -0.263 176.112 176.300 0.126 0.000 1.207 537 D CA 0.749 54.819 54.000 0.115 0.000 0.764 537 D CB -0.884 39.977 40.800 0.102 0.000 0.948 537 D HN 0.245 nan 8.370 nan 0.000 0.404 538 L N -0.012 121.293 121.223 0.137 0.000 2.304 538 L HA 0.310 2.476 4.340 -3.624 0.000 0.268 538 L C -0.968 175.951 176.870 0.083 0.000 1.010 538 L CA -2.039 52.896 54.840 0.158 0.000 0.813 538 L CB 0.966 43.187 42.059 0.271 0.000 1.315 538 L HN -0.201 nan 8.230 nan 0.000 0.445 539 P HA -0.095 nan 4.420 nan 0.000 0.219 539 P C -0.778 176.447 177.300 -0.124 0.000 1.146 539 P CA 1.167 64.257 63.100 -0.016 0.000 0.808 539 P CB 0.112 31.811 31.700 -0.002 0.000 0.779 540 R N -1.787 118.580 120.500 -0.223 0.000 2.532 540 R HA 0.726 2.892 4.340 -3.624 0.000 0.297 540 R C 0.602 176.756 176.300 -0.244 0.000 0.984 540 R CA -0.542 55.339 56.100 -0.364 0.000 0.884 540 R CB 1.249 31.113 30.300 -0.727 0.000 1.182 540 R HN -0.265 nan 8.270 nan 0.000 0.442 541 A N 2.439 125.162 122.820 -0.162 0.000 1.978 541 A HA -0.244 1.902 4.320 -3.624 0.000 0.220 541 A C 1.358 178.744 177.584 -0.330 0.000 1.170 541 A CA 1.891 53.883 52.037 -0.075 0.000 0.636 541 A CB -0.596 18.451 19.000 0.079 0.000 0.810 541 A HN 0.933 nan 8.150 nan 0.000 0.448 542 D N -2.066 117.954 120.400 -0.633 0.000 2.378 542 D HA -0.145 2.321 4.640 -3.624 0.000 0.227 542 D C 1.262 177.612 176.300 0.083 0.000 1.012 542 D CA 0.193 53.656 54.000 -0.896 0.000 0.905 542 D CB -0.709 39.682 40.800 -0.681 0.000 0.895 542 D HN 0.830 nan 8.370 nan 0.000 0.532 543 W N 1.001 122.286 121.300 -0.025 0.000 3.114 543 W HA 0.058 2.545 4.660 -3.621 0.000 0.279 543 W C 0.845 177.593 176.519 0.383 0.000 1.277 543 W CA -0.074 57.411 57.345 0.232 0.000 1.630 543 W CB 0.500 30.085 29.460 0.208 0.000 1.087 543 W HN -0.082 nan 8.180 nan 0.000 0.637 544 T N -2.514 112.336 114.554 0.493 0.000 2.770 544 T HA 0.532 2.708 4.350 -3.624 0.000 0.281 544 T C 1.030 176.063 174.700 0.555 0.000 0.981 544 T CA 0.039 62.394 62.100 0.426 0.000 0.955 544 T CB 1.931 70.968 68.868 0.280 0.000 1.060 544 T HN -0.049 nan 8.240 nan 0.000 0.531 545 A N 0.342 123.397 122.820 0.391 0.000 1.924 545 A HA 0.200 2.346 4.320 -3.624 0.000 0.211 545 A C 2.489 180.169 177.584 0.160 0.000 1.198 545 A CA 1.052 53.321 52.037 0.387 0.000 0.657 545 A CB -1.188 17.925 19.000 0.189 0.000 0.852 545 A HN 1.284 nan 8.150 nan 0.000 0.454 546 V N -2.508 117.407 119.914 0.001 0.000 2.469 546 V HA -0.297 1.649 4.120 -3.624 0.000 0.251 546 V C 2.252 178.245 176.094 -0.168 0.000 1.064 546 V CA 2.216 64.318 62.300 -0.329 0.000 1.066 546 V CB -1.516 30.335 31.823 0.046 0.000 0.667 546 V HN 0.544 nan 8.190 nan 0.000 0.461 547 Y N 1.042 121.279 120.300 -0.104 0.000 2.151 547 Y HA -0.261 2.115 4.550 -3.624 0.000 0.284 547 Y C 2.239 178.040 175.900 -0.165 0.000 1.166 547 Y CA 2.317 60.315 58.100 -0.170 0.000 1.163 547 Y CB -0.386 37.902 38.460 -0.287 0.000 0.974 547 Y HN 0.351 nan 8.280 nan 0.000 0.511 548 Y N -1.398 119.051 120.300 0.248 0.000 2.301 548 Y HA -0.066 2.312 4.550 -3.620 0.000 0.295 548 Y C 2.573 178.586 175.900 0.188 0.000 1.119 548 Y CA 1.522 59.751 58.100 0.215 0.000 1.162 548 Y CB -0.673 37.866 38.460 0.131 0.000 1.046 548 Y HN 0.399 nan 8.280 nan 0.000 0.538 549 H N -1.377 117.908 119.070 0.358 0.000 2.497 549 H HA 0.227 2.608 4.556 -3.624 0.000 0.282 549 H C 0.611 176.073 175.328 0.223 0.000 1.003 549 H CA 0.228 56.435 56.048 0.265 0.000 1.307 549 H CB -0.385 29.609 29.762 0.388 0.000 1.437 549 H HN -0.044 nan 8.280 nan 0.000 0.544 550 R N 0.071 120.692 120.500 0.203 0.000 3.502 550 R HA -0.159 2.006 4.340 -3.624 0.000 0.266 550 R C -0.337 176.194 176.300 0.385 0.000 1.077 550 R CA 0.279 56.490 56.100 0.184 0.000 0.718 550 R CB -2.051 28.238 30.300 -0.018 0.000 1.120 550 R HN 0.618 nan 8.270 nan 0.000 0.457 551 A N 1.195 124.423 122.820 0.679 0.000 2.440 551 A HA 0.481 2.627 4.320 -3.624 0.000 0.251 551 A C 0.810 178.638 177.584 0.407 0.000 1.089 551 A CA 0.562 52.909 52.037 0.516 0.000 0.779 551 A CB 0.594 19.969 19.000 0.626 0.000 1.022 551 A HN 0.521 nan 8.150 nan 0.000 0.492 552 S N 1.147 117.060 115.700 0.356 0.000 2.776 552 S HA 0.446 2.742 4.470 -3.624 0.000 0.292 552 S C 0.720 175.538 174.600 0.363 0.000 1.187 552 S CA -0.148 58.223 58.200 0.285 0.000 0.834 552 S CB 1.062 64.384 63.200 0.204 0.000 1.199 552 S HN 0.680 nan 8.310 nan 0.000 0.514 553 K N 0.028 120.568 120.400 0.233 0.000 2.209 553 K HA -0.080 2.066 4.320 -3.624 0.000 0.204 553 K C 1.728 178.517 176.600 0.315 0.000 1.048 553 K CA 1.979 58.385 56.287 0.199 0.000 0.940 553 K CB -0.650 31.902 32.500 0.087 0.000 0.729 553 K HN 0.806 nan 8.250 nan 0.000 0.451 554 T N -3.373 111.339 114.554 0.263 0.000 3.044 554 T HA 0.282 2.458 4.350 -3.624 0.000 0.255 554 T C 0.835 175.568 174.700 0.056 0.000 1.073 554 T CA 0.204 62.431 62.100 0.211 0.000 1.125 554 T CB 0.791 69.734 68.868 0.125 0.000 0.908 554 T HN 0.253 nan 8.240 nan 0.000 0.480 555 G N 0.163 108.853 108.800 -0.183 0.000 2.427 555 G HA2 0.588 2.374 3.960 -3.624 0.000 0.306 555 G HA3 0.588 2.374 3.960 -3.624 0.000 0.306 555 G C -2.280 172.054 174.900 -0.943 0.000 1.280 555 G CA -0.621 43.923 45.100 -0.926 0.000 0.837 555 G HN 0.452 nan 8.290 nan 0.000 0.482 556 I N -0.875 118.960 120.570 -1.225 0.000 2.908 556 I HA 0.669 2.665 4.170 -3.624 0.000 0.300 556 I C -0.067 175.688 176.117 -0.603 0.000 1.385 556 I CA 0.616 61.480 61.300 -0.726 0.000 1.004 556 I CB 2.180 39.678 38.000 -0.837 0.000 1.309 556 I HN 2.151 nan 8.210 nan 0.000 0.449 557 G N 3.876 112.600 108.800 -0.126 0.000 2.440 557 G HA2 0.075 1.860 3.960 -3.624 0.000 0.684 557 G HA3 0.075 1.860 3.960 -3.624 0.000 0.684 557 G C -2.071 172.960 174.900 0.218 0.000 1.309 557 G CA -0.714 44.382 45.100 -0.006 0.000 0.931 557 G HN 0.643 nan 8.290 nan 0.000 0.612 558 F N 1.510 121.449 119.950 -0.018 0.000 2.460 558 F HA 0.627 2.982 4.527 -3.620 0.000 0.341 558 F C 0.134 175.901 175.800 -0.055 0.000 1.130 558 F CA -1.505 56.466 58.000 -0.049 0.000 0.962 558 F CB 1.721 40.663 39.000 -0.097 0.000 1.171 558 F HN 0.498 nan 8.300 nan 0.000 0.436 559 N N 5.189 123.912 118.700 0.038 0.000 2.406 559 N HA 0.133 2.699 4.740 -3.624 0.000 0.265 559 N C 0.220 175.814 175.510 0.140 0.000 1.203 559 N CA 0.364 53.438 53.050 0.039 0.000 0.945 559 N CB 0.299 38.750 38.487 -0.061 0.000 1.165 559 N HN 0.721 nan 8.380 nan 0.000 0.485 560 R N 1.027 121.600 120.500 0.122 0.000 2.543 560 R HA 0.084 2.250 4.340 -3.624 0.000 0.323 560 R C 0.486 176.791 176.300 0.009 0.000 1.002 560 R CA -0.164 55.995 56.100 0.099 0.000 1.106 560 R CB 0.278 30.616 30.300 0.064 0.000 1.280 560 R HN 0.619 nan 8.270 nan 0.000 0.549 561 T N -2.027 112.503 114.554 -0.040 0.000 2.771 561 T HA 0.156 2.332 4.350 -3.624 0.000 0.290 561 T C 1.239 175.931 174.700 -0.013 0.000 1.005 561 T CA -0.512 61.559 62.100 -0.050 0.000 0.944 561 T CB 1.121 69.956 68.868 -0.055 0.000 1.147 561 T HN -0.090 nan 8.240 nan 0.000 0.534 562 K N 0.135 120.532 120.400 -0.006 0.000 2.218 562 K HA -0.107 2.039 4.320 -3.624 0.000 0.205 562 K C 2.370 178.970 176.600 0.000 0.000 1.046 562 K CA 1.851 58.138 56.287 0.001 0.000 0.933 562 K CB -0.582 31.920 32.500 0.004 0.000 0.728 562 K HN 0.860 nan 8.250 nan 0.000 0.454 563 T N -2.875 111.678 114.554 -0.002 0.000 3.113 563 T HA 0.105 2.281 4.350 -3.624 0.000 0.256 563 T C 1.147 175.833 174.700 -0.024 0.000 1.131 563 T CA 0.341 62.436 62.100 -0.009 0.000 1.074 563 T CB 0.432 69.298 68.868 -0.003 0.000 0.944 563 T HN 0.199 nan 8.240 nan 0.000 0.516 564 G N 1.491 110.280 108.800 -0.019 0.000 3.414 564 G HA2 0.365 2.151 3.960 -3.624 0.000 0.196 564 G HA3 0.365 2.151 3.960 -3.624 0.000 0.196 564 G C 1.220 176.123 174.900 0.004 0.000 1.486 564 G CA 0.224 45.306 45.100 -0.030 0.000 0.811 564 G HN 0.360 nan 8.290 nan 0.000 0.704 565 S N -0.422 115.314 115.700 0.059 0.000 2.527 565 S HA -0.008 2.288 4.470 -3.624 0.000 0.222 565 S C 1.233 175.875 174.600 0.069 0.000 0.985 565 S CA 1.099 59.355 58.200 0.093 0.000 0.921 565 S CB -0.215 63.106 63.200 0.201 0.000 0.772 565 S HN 0.729 nan 8.310 nan 0.000 0.529 566 N N 0.729 119.457 118.700 0.046 0.000 2.735 566 N HA -0.208 2.357 4.740 -3.624 0.000 0.248 566 N C 0.660 176.190 175.510 0.034 0.000 1.083 566 N CA 0.772 53.839 53.050 0.028 0.000 0.703 566 N CB -1.609 36.892 38.487 0.022 0.000 1.005 566 N HN 0.632 nan 8.380 nan 0.000 0.550 567 A N -0.394 122.455 122.820 0.049 0.000 2.015 567 A HA 0.005 2.151 4.320 -3.624 0.000 0.219 567 A C 2.222 179.860 177.584 0.090 0.000 1.163 567 A CA 1.157 53.242 52.037 0.080 0.000 0.646 567 A CB -0.253 18.812 19.000 0.108 0.000 0.806 567 A HN 0.448 nan 8.150 nan 0.000 0.448 568 L N -0.899 120.364 121.223 0.066 0.000 2.191 568 L HA -0.206 1.960 4.340 -3.624 0.000 0.212 568 L C 2.854 179.768 176.870 0.074 0.000 1.103 568 L CA 0.898 55.794 54.840 0.093 0.000 0.769 568 L CB -0.425 41.591 42.059 -0.072 0.000 0.908 568 L HN 0.456 nan 8.230 nan 0.000 0.438 569 A N -0.797 122.028 122.820 0.008 0.000 2.216 569 A HA -0.158 1.988 4.320 -3.624 0.000 0.214 569 A C 2.058 179.594 177.584 -0.080 0.000 1.160 569 A CA 0.855 52.885 52.037 -0.013 0.000 0.725 569 A CB -0.264 18.736 19.000 0.000 0.000 0.784 569 A HN 0.504 nan 8.150 nan 0.000 0.472 570 Q N -1.651 118.009 119.800 -0.234 0.000 2.432 570 Q HA 0.045 2.211 4.340 -3.624 0.000 0.205 570 Q C -0.532 175.079 176.000 -0.648 0.000 0.945 570 Q CA 0.268 55.646 55.803 -0.709 0.000 0.924 570 Q CB 0.092 28.118 28.738 -1.186 0.000 1.016 570 Q HN 0.768 nan 8.270 nan 0.000 0.503 571 Y N 0.582 120.753 120.300 -0.216 0.000 2.403 571 Y HA 0.265 2.639 4.550 -3.627 0.000 0.323 571 Y C -1.907 173.968 175.900 -0.042 0.000 1.226 571 Y CA -2.953 55.076 58.100 -0.118 0.000 1.235 571 Y CB 0.183 38.514 38.460 -0.215 0.000 1.248 571 Y HN -0.068 nan 8.280 nan 0.000 0.489 572 P HA -0.069 nan 4.420 nan 0.000 0.267 572 P C 0.819 178.132 177.300 0.022 0.000 1.200 572 P CA 0.119 63.296 63.100 0.129 0.000 0.772 572 P CB 0.726 32.533 31.700 0.179 0.000 0.855 573 E N 3.940 124.137 120.200 -0.005 0.000 2.108 573 E HA -0.223 1.953 4.350 -3.624 0.000 0.203 573 E C -0.905 175.608 176.600 -0.144 0.000 1.022 573 E CA 2.466 58.831 56.400 -0.058 0.000 0.823 573 E CB -1.703 27.974 29.700 -0.039 0.000 0.744 573 E HN 0.362 nan 8.360 nan 0.000 0.456 574 P HA -0.116 nan 4.420 nan 0.000 0.218 574 P C 1.574 178.623 177.300 -0.419 0.000 1.148 574 P CA 0.968 63.832 63.100 -0.394 0.000 0.822 574 P CB -0.028 31.196 31.700 -0.793 0.000 0.784 575 I N -0.495 119.834 120.570 -0.400 0.000 2.233 575 I HA -0.127 1.869 4.170 -3.624 0.000 0.243 575 I C 2.224 177.936 176.117 -0.675 0.000 1.093 575 I CA 1.430 62.315 61.300 -0.691 0.000 1.380 575 I CB -1.757 35.821 38.000 -0.703 0.000 1.067 575 I HN -0.090 nan 8.210 nan 0.000 0.413 576 A N 0.876 123.481 122.820 -0.359 0.000 1.940 576 A HA -0.264 1.882 4.320 -3.624 0.000 0.219 576 A C 2.463 179.953 177.584 -0.157 0.000 1.176 576 A CA 2.024 53.932 52.037 -0.215 0.000 0.631 576 A CB -0.573 18.371 19.000 -0.093 0.000 0.814 576 A HN 0.401 nan 8.150 nan 0.000 0.446 577 K N -0.407 119.900 120.400 -0.154 0.000 2.001 577 K HA -0.055 2.091 4.320 -3.624 0.000 0.208 577 K C 2.220 178.785 176.600 -0.058 0.000 1.048 577 K CA 1.212 57.445 56.287 -0.091 0.000 0.932 577 K CB -0.375 32.066 32.500 -0.098 0.000 0.715 577 K HN 0.330 nan 8.250 nan 0.000 0.437 578 A N 0.589 123.340 122.820 -0.114 0.000 1.908 578 A HA -0.166 1.980 4.320 -3.624 0.000 0.218 578 A C 1.679 179.386 177.584 0.205 0.000 1.181 578 A CA 1.437 53.474 52.037 -0.000 0.000 0.627 578 A CB -0.821 18.142 19.000 -0.062 0.000 0.818 578 A HN 0.562 nan 8.150 nan 0.000 0.445 579 W N -0.722 120.514 121.300 -0.106 0.000 2.737 579 W HA 0.236 2.720 4.660 -3.627 0.000 0.262 579 W C 2.268 178.784 176.519 -0.005 0.000 1.282 579 W CA 0.088 57.358 57.345 -0.126 0.000 1.386 579 W CB -1.097 28.041 29.460 -0.537 0.000 1.099 579 W HN 0.383 nan 8.180 nan 0.000 0.621 580 G N -0.909 107.992 108.800 0.168 0.000 2.777 580 G HA2 -0.091 1.695 3.960 -3.624 0.000 0.211 580 G HA3 -0.091 1.695 3.960 -3.624 0.000 0.211 580 G C -0.036 175.016 174.900 0.253 0.000 1.149 580 G CA 0.163 45.363 45.100 0.167 0.000 0.785 580 G HN -0.060 nan 8.290 nan 0.000 0.536 581 D N 0.307 120.813 120.400 0.177 0.000 2.280 581 D HA 0.260 2.726 4.640 -3.624 0.000 0.236 581 D C 1.546 177.874 176.300 0.046 0.000 1.082 581 D CA -0.525 53.536 54.000 0.101 0.000 0.834 581 D CB 1.515 42.354 40.800 0.065 0.000 1.100 581 D HN -0.058 nan 8.370 nan 0.000 0.486 582 L N 3.551 124.743 121.223 -0.051 0.000 2.265 582 L HA -0.161 2.005 4.340 -3.624 0.000 0.215 582 L C 1.786 178.646 176.870 -0.017 0.000 1.117 582 L CA 0.639 55.393 54.840 -0.143 0.000 0.782 582 L CB -0.226 41.738 42.059 -0.158 0.000 0.914 582 L HN 0.397 nan 8.230 nan 0.000 0.441 583 N N -0.626 118.086 118.700 0.019 0.000 2.409 583 N HA -0.126 2.440 4.740 -3.624 0.000 0.179 583 N C 1.638 177.178 175.510 0.051 0.000 1.032 583 N CA 1.213 54.285 53.050 0.036 0.000 0.898 583 N CB 0.258 38.764 38.487 0.032 0.000 0.971 583 N HN 0.299 nan 8.380 nan 0.000 0.441 584 S N -2.010 113.731 115.700 0.069 0.000 2.604 584 S HA 0.187 2.483 4.470 -3.624 0.000 0.235 584 S C 0.366 175.059 174.600 0.155 0.000 1.043 584 S CA -0.509 57.750 58.200 0.099 0.000 0.997 584 S CB -0.141 63.114 63.200 0.091 0.000 0.956 584 S HN 0.002 nan 8.310 nan 0.000 0.535 585 V N 4.810 124.821 119.914 0.162 0.000 2.599 585 V HA 0.295 2.241 4.120 -3.624 0.000 0.300 585 V C -2.583 173.596 176.094 0.143 0.000 1.034 585 V CA -1.740 60.691 62.300 0.217 0.000 1.115 585 V CB 0.405 32.377 31.823 0.248 0.000 0.934 585 V HN 0.191 nan 8.190 nan 0.000 0.485 586 P HA 0.146 nan 4.420 nan 0.000 0.268 586 P C 0.532 177.864 177.300 0.052 0.000 1.204 586 P CA 0.109 63.261 63.100 0.088 0.000 0.768 586 P CB 0.486 32.236 31.700 0.083 0.000 0.842 587 E N 1.759 121.987 120.200 0.046 0.000 2.153 587 E HA -0.201 1.974 4.350 -3.624 0.000 0.194 587 E C 1.044 177.649 176.600 0.009 0.000 0.988 587 E CA 1.248 57.666 56.400 0.031 0.000 0.811 587 E CB -0.127 29.591 29.700 0.031 0.000 0.746 587 E HN 0.630 nan 8.360 nan 0.000 0.466 588 D N 0.196 120.603 120.400 0.012 0.000 2.378 588 D HA -0.129 2.336 4.640 -3.624 0.000 0.227 588 D C 1.360 177.670 176.300 0.018 0.000 1.012 588 D CA 0.632 54.634 54.000 0.003 0.000 0.905 588 D CB -0.071 40.735 40.800 0.010 0.000 0.895 588 D HN 0.246 nan 8.370 nan 0.000 0.532 589 L N -0.510 120.715 121.223 0.004 0.000 2.966 589 L HA 0.332 2.498 4.340 -3.624 0.000 0.262 589 L C 2.045 178.895 176.870 -0.034 0.000 1.165 589 L CA -0.288 54.561 54.840 0.016 0.000 0.978 589 L CB 0.357 42.305 42.059 -0.186 0.000 1.337 589 L HN -0.079 nan 8.230 nan 0.000 0.563 590 I N 0.810 121.380 120.570 -0.001 0.000 2.151 590 I HA -0.336 1.660 4.170 -3.624 0.000 0.243 590 I C 1.962 178.093 176.117 0.023 0.000 1.080 590 I CA 1.856 63.194 61.300 0.062 0.000 1.339 590 I CB 0.206 38.218 38.000 0.019 0.000 1.039 590 I HN 0.266 nan 8.210 nan 0.000 0.409 591 L N -1.154 119.995 121.223 -0.123 0.000 2.610 591 L HA -0.114 2.052 4.340 -3.624 0.000 0.232 591 L C 1.777 178.489 176.870 -0.264 0.000 1.149 591 L CA 0.298 55.034 54.840 -0.172 0.000 0.872 591 L CB -0.518 41.406 42.059 -0.225 0.000 0.992 591 L HN 0.398 nan 8.230 nan 0.000 0.447 592 W N -0.550 120.458 121.300 -0.488 0.000 2.425 592 W HA -0.114 2.371 4.660 -3.624 0.000 0.277 592 W C 1.621 177.683 176.519 -0.762 0.000 1.231 592 W CA 0.674 57.548 57.345 -0.785 0.000 1.248 592 W CB 0.096 28.676 29.460 -1.466 0.000 1.117 592 W HN 0.089 nan 8.180 nan 0.000 0.568 593 F N -3.870 116.101 119.950 0.035 0.000 2.789 593 F HA 0.218 2.570 4.527 -3.625 0.000 0.320 593 F C 0.405 175.962 175.800 -0.406 0.000 1.079 593 F CA -0.208 57.673 58.000 -0.197 0.000 1.205 593 F CB -0.398 38.436 39.000 -0.277 0.000 1.046 593 F HN -0.280 nan 8.300 nan 0.000 0.586 594 H N -0.954 118.200 119.070 0.139 0.000 2.667 594 H HA 0.273 2.654 4.556 -3.624 0.000 0.353 594 H C -1.160 174.166 175.328 -0.004 0.000 1.072 594 H CA -0.732 55.350 56.048 0.057 0.000 1.214 594 H CB 1.801 31.555 29.762 -0.014 0.000 1.600 594 H HN -0.023 nan 8.280 nan 0.000 0.527 595 H N 3.374 122.452 119.070 0.014 0.000 2.594 595 H HA 0.422 2.803 4.556 -3.624 0.000 0.304 595 H C -0.965 174.299 175.328 -0.106 0.000 1.068 595 H CA -0.288 55.711 56.048 -0.083 0.000 1.308 595 H CB 0.215 29.908 29.762 -0.116 0.000 1.409 595 H HN 0.369 nan 8.280 nan 0.000 0.460 596 L N 3.667 124.575 121.223 -0.525 0.000 2.354 596 L HA 0.342 2.508 4.340 -3.624 0.000 0.269 596 L C 0.177 176.749 176.870 -0.496 0.000 1.005 596 L CA -1.175 53.420 54.840 -0.408 0.000 0.819 596 L CB 2.024 43.841 42.059 -0.402 0.000 1.311 596 L HN 0.653 nan 8.230 nan 0.000 0.423 597 S N 0.489 116.035 115.700 -0.256 0.000 2.579 597 S HA 0.042 2.338 4.470 -3.624 0.000 0.275 597 S C 0.645 175.178 174.600 -0.111 0.000 1.345 597 S CA -0.076 58.019 58.200 -0.175 0.000 1.031 597 S CB 0.393 63.588 63.200 -0.009 0.000 0.892 597 S HN 0.590 nan 8.310 nan 0.000 0.529 598 W N 0.830 122.137 121.300 0.012 0.000 2.421 598 W HA 0.002 2.488 4.660 -3.624 0.000 0.270 598 W C 1.530 178.106 176.519 0.096 0.000 1.233 598 W CA 0.293 57.675 57.345 0.061 0.000 1.226 598 W CB -0.016 29.471 29.460 0.045 0.000 1.121 598 W HN 0.686 nan 8.180 nan 0.000 0.579 599 D N -1.804 118.763 120.400 0.278 0.000 2.340 599 D HA -0.076 2.390 4.640 -3.624 0.000 0.220 599 D C 0.627 177.020 176.300 0.155 0.000 1.039 599 D CA 0.416 54.532 54.000 0.193 0.000 0.866 599 D CB -0.497 40.385 40.800 0.136 0.000 0.913 599 D HN 0.227 nan 8.370 nan 0.000 0.523 600 H N 1.913 121.016 119.070 0.056 0.000 3.034 600 H HA 0.019 2.400 4.556 -3.624 0.000 0.324 600 H C 0.020 175.366 175.328 0.030 0.000 1.015 600 H CA 0.402 56.460 56.048 0.017 0.000 1.429 600 H CB 0.584 30.330 29.762 -0.027 0.000 1.429 600 H HN -0.129 nan 8.280 nan 0.000 0.585 601 R N 5.221 125.425 120.500 -0.493 0.000 2.254 601 R HA 0.189 2.355 4.340 -3.624 0.000 0.318 601 R C 0.250 176.230 176.300 -0.534 0.000 1.031 601 R CA -0.758 55.118 56.100 -0.372 0.000 0.905 601 R CB 1.101 31.282 30.300 -0.197 0.000 1.050 601 R HN 0.561 nan 8.270 nan 0.000 0.456 602 M N 1.879 121.326 119.600 -0.256 0.000 2.245 602 M HA 0.101 2.407 4.480 -3.624 0.000 0.292 602 M C 1.588 177.828 176.300 -0.100 0.000 1.176 602 M CA 0.041 55.257 55.300 -0.140 0.000 1.035 602 M CB 0.605 33.181 32.600 -0.040 0.000 1.440 602 M HN 0.533 nan 8.290 nan 0.000 0.494 603 Q N 0.436 120.204 119.800 -0.052 0.000 2.197 603 Q HA -0.158 2.007 4.340 -3.624 0.000 0.207 603 Q C 1.829 177.803 176.000 -0.044 0.000 0.984 603 Q CA 2.108 57.888 55.803 -0.037 0.000 0.869 603 Q CB -0.158 28.573 28.738 -0.012 0.000 0.906 603 Q HN 0.889 nan 8.270 nan 0.000 0.426 604 S N -1.554 114.114 115.700 -0.053 0.000 2.474 604 S HA 0.036 2.332 4.470 -3.624 0.000 0.235 604 S C 1.501 176.060 174.600 -0.069 0.000 0.997 604 S CA 0.843 59.002 58.200 -0.068 0.000 0.949 604 S CB 0.351 63.490 63.200 -0.101 0.000 0.766 604 S HN 0.567 nan 8.310 nan 0.000 0.517 605 G N 0.979 109.740 108.800 -0.066 0.000 2.307 605 G HA2 -0.205 1.581 3.960 -3.624 0.000 0.210 605 G HA3 -0.205 1.581 3.960 -3.624 0.000 0.210 605 G C 0.204 175.074 174.900 -0.049 0.000 1.005 605 G CA -0.261 44.805 45.100 -0.056 0.000 0.634 605 G HN 0.574 nan 8.290 nan 0.000 0.496 606 R N 1.462 121.931 120.500 -0.053 0.000 2.582 606 R HA 0.432 2.598 4.340 -3.624 0.000 0.271 606 R C 0.760 177.054 176.300 -0.009 0.000 1.078 606 R CA 0.086 56.171 56.100 -0.025 0.000 1.127 606 R CB 0.339 30.617 30.300 -0.036 0.000 1.038 606 R HN 0.626 nan 8.270 nan 0.000 0.500 607 N N 1.217 119.943 118.700 0.043 0.000 2.317 607 N HA -0.061 2.505 4.740 -3.624 0.000 0.245 607 N C 0.725 176.322 175.510 0.146 0.000 1.294 607 N CA -0.452 52.651 53.050 0.089 0.000 0.924 607 N CB 0.312 38.889 38.487 0.150 0.000 1.186 607 N HN 0.457 nan 8.380 nan 0.000 0.495 608 L N -0.437 120.926 121.223 0.233 0.000 2.046 608 L HA -0.016 2.150 4.340 -3.624 0.000 0.208 608 L C 1.946 179.065 176.870 0.414 0.000 1.077 608 L CA 1.422 56.429 54.840 0.278 0.000 0.747 608 L CB -0.858 41.350 42.059 0.249 0.000 0.896 608 L HN 0.777 nan 8.230 nan 0.000 0.432 609 W N 0.309 121.841 121.300 0.386 0.000 2.335 609 W HA -0.280 2.206 4.660 -3.623 0.000 0.311 609 W C 2.152 178.713 176.519 0.071 0.000 1.213 609 W CA 1.792 59.250 57.345 0.188 0.000 1.274 609 W CB -0.218 29.177 29.460 -0.108 0.000 1.148 609 W HN 0.317 nan 8.180 nan 0.000 0.498 610 Q N 0.160 119.887 119.800 -0.122 0.000 2.084 610 Q HA -0.281 1.884 4.340 -3.624 0.000 0.202 610 Q C 2.050 177.948 176.000 -0.170 0.000 0.978 610 Q CA 2.142 57.812 55.803 -0.222 0.000 0.844 610 Q CB -0.360 28.374 28.738 -0.007 0.000 0.898 610 Q HN 0.223 nan 8.270 nan 0.000 0.426 611 E N 0.953 121.119 120.200 -0.056 0.000 2.072 611 E HA -0.162 2.014 4.350 -3.624 0.000 0.191 611 E C 1.767 178.348 176.600 -0.032 0.000 0.985 611 E CA 0.649 57.042 56.400 -0.011 0.000 0.801 611 E CB -0.216 29.491 29.700 0.013 0.000 0.750 611 E HN 0.327 nan 8.360 nan 0.000 0.452 612 L N -0.374 120.807 121.223 -0.070 0.000 1.989 612 L HA -0.198 1.968 4.340 -3.624 0.000 0.211 612 L C 2.201 179.019 176.870 -0.086 0.000 1.071 612 L CA 1.471 56.276 54.840 -0.058 0.000 0.749 612 L CB -0.333 41.733 42.059 0.012 0.000 0.890 612 L HN 0.095 nan 8.230 nan 0.000 0.431 613 V N -0.462 119.212 119.914 -0.401 0.000 2.332 613 V HA -0.362 1.584 4.120 -3.624 0.000 0.248 613 V C 2.451 178.378 176.094 -0.278 0.000 1.055 613 V CA 2.248 64.287 62.300 -0.434 0.000 1.038 613 V CB -0.926 30.376 31.823 -0.870 0.000 0.651 613 V HN 0.667 nan 8.190 nan 0.000 0.450 614 H N 0.421 119.292 119.070 -0.333 0.000 2.352 614 H HA -0.131 2.251 4.556 -3.624 0.000 0.299 614 H C 2.296 177.632 175.328 0.014 0.000 1.097 614 H CA 1.766 57.739 56.048 -0.127 0.000 1.311 614 H CB 0.076 29.843 29.762 0.007 0.000 1.377 614 H HN 0.159 nan 8.280 nan 0.000 0.504 615 K N -0.082 120.319 120.400 0.001 0.000 2.057 615 K HA -0.162 1.984 4.320 -3.624 0.000 0.207 615 K C 2.223 178.760 176.600 -0.103 0.000 1.049 615 K CA 1.479 57.718 56.287 -0.080 0.000 0.931 615 K CB -0.804 31.610 32.500 -0.143 0.000 0.714 615 K HN 0.455 nan 8.250 nan 0.000 0.440 616 Y N -0.162 120.112 120.300 -0.043 0.000 2.165 616 Y HA -0.250 2.126 4.550 -3.623 0.000 0.286 616 Y C 2.321 178.172 175.900 -0.082 0.000 1.155 616 Y CA 1.475 59.550 58.100 -0.041 0.000 1.164 616 Y CB -0.362 38.072 38.460 -0.043 0.000 0.978 616 Y HN 0.084 nan 8.280 nan 0.000 0.513 617 Y N -0.450 119.852 120.300 0.003 0.000 2.293 617 Y HA -0.281 2.095 4.550 -3.623 0.000 0.291 617 Y C 2.681 178.558 175.900 -0.039 0.000 1.137 617 Y CA 1.607 59.696 58.100 -0.017 0.000 1.202 617 Y CB -0.370 38.075 38.460 -0.025 0.000 0.990 617 Y HN 0.168 nan 8.280 nan 0.000 0.537 618 Q N 0.054 119.850 119.800 -0.007 0.000 2.084 618 Q HA -0.155 2.010 4.340 -3.624 0.000 0.202 618 Q C 2.489 178.498 176.000 0.015 0.000 0.978 618 Q CA 1.616 57.386 55.803 -0.054 0.000 0.844 618 Q CB -0.531 28.127 28.738 -0.133 0.000 0.898 618 Q HN 0.528 nan 8.270 nan 0.000 0.426 619 G N 0.251 109.076 108.800 0.042 0.000 2.476 619 G HA2 -0.270 1.516 3.960 -3.624 0.000 0.218 619 G HA3 -0.270 1.516 3.960 -3.624 0.000 0.218 619 G C 1.430 176.427 174.900 0.161 0.000 1.164 619 G CA 1.143 46.335 45.100 0.154 0.000 0.768 619 G HN 0.316 nan 8.290 nan 0.000 0.560 620 V N 0.674 120.618 119.914 0.048 0.000 2.343 620 V HA -0.129 1.817 4.120 -3.624 0.000 0.247 620 V C 2.842 178.921 176.094 -0.024 0.000 1.051 620 V CA 2.014 64.272 62.300 -0.069 0.000 1.036 620 V CB -0.294 31.458 31.823 -0.118 0.000 0.654 620 V HN 0.300 nan 8.190 nan 0.000 0.451 621 E N -0.148 120.063 120.200 0.018 0.000 2.110 621 E HA -0.230 1.946 4.350 -3.624 0.000 0.193 621 E C 2.265 178.878 176.600 0.022 0.000 0.988 621 E CA 1.156 57.572 56.400 0.027 0.000 0.804 621 E CB -0.251 29.474 29.700 0.042 0.000 0.745 621 E HN 0.690 nan 8.360 nan 0.000 0.458 622 Q N 0.120 119.939 119.800 0.031 0.000 2.084 622 Q HA -0.095 2.071 4.340 -3.624 0.000 0.202 622 Q C 2.328 178.342 176.000 0.024 0.000 0.978 622 Q CA 1.250 57.073 55.803 0.033 0.000 0.844 622 Q CB 0.019 28.784 28.738 0.044 0.000 0.898 622 Q HN 0.098 nan 8.270 nan 0.000 0.426 623 V N 0.780 120.703 119.914 0.016 0.000 2.358 623 V HA -0.261 1.685 4.120 -3.624 0.000 0.246 623 V C 2.083 178.159 176.094 -0.029 0.000 1.047 623 V CA 1.799 64.085 62.300 -0.024 0.000 1.035 623 V CB -0.462 31.299 31.823 -0.104 0.000 0.658 623 V HN 0.287 nan 8.190 nan 0.000 0.452 624 R N 0.245 120.732 120.500 -0.021 0.000 2.096 624 R HA -0.085 2.081 4.340 -3.624 0.000 0.235 624 R C 2.384 178.693 176.300 0.015 0.000 1.127 624 R CA 1.414 57.511 56.100 -0.005 0.000 0.968 624 R CB -0.523 29.778 30.300 0.002 0.000 0.861 624 R HN 0.539 nan 8.270 nan 0.000 0.440 625 A N 0.821 123.652 122.820 0.018 0.000 1.929 625 A HA -0.096 2.050 4.320 -3.624 0.000 0.216 625 A C 2.121 179.725 177.584 0.033 0.000 1.176 625 A CA 0.989 53.043 52.037 0.027 0.000 0.628 625 A CB -0.302 18.713 19.000 0.025 0.000 0.816 625 A HN 0.155 nan 8.150 nan 0.000 0.444 626 M N -0.795 118.816 119.600 0.018 0.000 2.117 626 M HA -0.236 2.070 4.480 -3.624 0.000 0.262 626 M C 2.432 178.766 176.300 0.057 0.000 1.065 626 M CA 1.641 56.950 55.300 0.015 0.000 1.114 626 M CB -0.612 31.965 32.600 -0.038 0.000 1.361 626 M HN 0.505 nan 8.290 nan 0.000 0.408 627 Q N -0.034 119.792 119.800 0.043 0.000 2.061 627 Q HA -0.191 1.975 4.340 -3.624 0.000 0.204 627 Q C 2.176 178.255 176.000 0.131 0.000 0.984 627 Q CA 1.564 57.415 55.803 0.080 0.000 0.846 627 Q CB -0.240 28.523 28.738 0.041 0.000 0.902 627 Q HN 0.513 nan 8.270 nan 0.000 0.421 628 R N -0.247 120.309 120.500 0.093 0.000 2.073 628 R HA -0.100 2.066 4.340 -3.624 0.000 0.234 628 R C 2.435 178.804 176.300 0.115 0.000 1.134 628 R CA 1.689 57.845 56.100 0.093 0.000 0.952 628 R CB -0.442 29.896 30.300 0.063 0.000 0.850 628 R HN 0.246 nan 8.270 nan 0.000 0.433 629 T N 0.336 114.959 114.554 0.115 0.000 2.684 629 T HA -0.228 1.948 4.350 -3.624 0.000 0.267 629 T C 1.247 176.064 174.700 0.196 0.000 1.036 629 T CA 1.269 63.442 62.100 0.122 0.000 1.148 629 T CB -0.278 68.648 68.868 0.097 0.000 0.863 629 T HN 0.486 nan 8.240 nan 0.000 0.436 630 W N 1.917 123.246 121.300 0.047 0.000 2.358 630 W HA -0.151 2.337 4.660 -3.620 0.000 0.303 630 W C 1.581 178.263 176.519 0.271 0.000 1.208 630 W CA 1.088 58.496 57.345 0.105 0.000 1.274 630 W CB -0.193 29.264 29.460 -0.006 0.000 1.138 630 W HN 0.252 nan 8.180 nan 0.000 0.515 631 D N 0.179 120.734 120.400 0.259 0.000 2.190 631 D HA -0.226 2.240 4.640 -3.624 0.000 0.200 631 D C 1.949 178.331 176.300 0.136 0.000 0.992 631 D CA 1.545 55.703 54.000 0.264 0.000 0.854 631 D CB -0.556 40.362 40.800 0.196 0.000 0.936 631 D HN 0.403 nan 8.370 nan 0.000 0.462 632 Q N -0.400 119.451 119.800 0.085 0.000 2.482 632 Q HA -0.023 2.143 4.340 -3.624 0.000 0.209 632 Q C 0.932 176.950 176.000 0.030 0.000 0.961 632 Q CA 0.480 56.310 55.803 0.044 0.000 0.945 632 Q CB 0.303 29.080 28.738 0.065 0.000 1.012 632 Q HN 0.204 nan 8.270 nan 0.000 0.515 633 Q N -0.294 119.494 119.800 -0.021 0.000 2.247 633 Q HA 0.024 2.190 4.340 -3.624 0.000 0.204 633 Q C 0.832 176.665 176.000 -0.277 0.000 0.872 633 Q CA 0.153 55.976 55.803 0.034 0.000 0.951 633 Q CB 0.507 29.232 28.738 -0.022 0.000 1.099 633 Q HN 0.440 nan 8.270 nan 0.000 0.501 634 E N 1.259 121.107 120.200 -0.586 0.000 2.171 634 E HA -0.190 1.986 4.350 -3.624 0.000 0.197 634 E C 1.459 177.647 176.600 -0.687 0.000 0.997 634 E CA 1.209 56.949 56.400 -1.101 0.000 0.810 634 E CB 0.204 29.236 29.700 -1.113 0.000 0.738 634 E HN 0.356 nan 8.360 nan 0.000 0.467 635 A N -0.482 121.969 122.820 -0.614 0.000 2.119 635 A HA -0.116 2.030 4.320 -3.624 0.000 0.217 635 A C 1.121 178.324 177.584 -0.635 0.000 1.153 635 A CA 0.855 52.501 52.037 -0.651 0.000 0.692 635 A CB -0.287 18.237 19.000 -0.794 0.000 0.799 635 A HN 0.365 nan 8.150 nan 0.000 0.458 636 Y N -1.579 118.562 120.300 -0.264 0.000 2.458 636 Y HA 0.322 2.698 4.550 -3.623 0.000 0.254 636 Y C 0.455 176.122 175.900 -0.387 0.000 1.120 636 Y CA -0.483 57.425 58.100 -0.320 0.000 1.282 636 Y CB 0.218 38.452 38.460 -0.377 0.000 1.109 636 Y HN -0.006 nan 8.280 nan 0.000 0.526 637 V N 1.826 121.624 119.914 -0.193 0.000 2.715 637 V HA 0.171 2.117 4.120 -3.624 0.000 0.310 637 V C -0.244 175.853 176.094 0.005 0.000 1.054 637 V CA -1.608 60.658 62.300 -0.056 0.000 0.928 637 V CB 1.736 33.567 31.823 0.013 0.000 1.007 637 V HN 0.194 nan 8.190 nan 0.000 0.437 638 D N 2.791 123.251 120.400 0.100 0.000 2.423 638 D HA 0.083 2.549 4.640 -3.624 0.000 0.238 638 D C 1.133 177.522 176.300 0.149 0.000 1.142 638 D CA 0.321 54.374 54.000 0.087 0.000 0.884 638 D CB 1.818 42.676 40.800 0.096 0.000 1.199 638 D HN 0.562 nan 8.370 nan 0.000 0.438 639 A N 2.546 125.426 122.820 0.100 0.000 1.940 639 A HA -0.086 2.059 4.320 -3.624 0.000 0.219 639 A C 2.249 179.969 177.584 0.227 0.000 1.176 639 A CA 2.448 54.572 52.037 0.144 0.000 0.631 639 A CB -0.884 18.162 19.000 0.076 0.000 0.814 639 A HN 0.767 nan 8.150 nan 0.000 0.446 640 A N -0.429 122.499 122.820 0.181 0.000 1.855 640 A HA -0.111 2.035 4.320 -3.624 0.000 0.215 640 A C 2.260 179.981 177.584 0.228 0.000 1.191 640 A CA 1.401 53.543 52.037 0.174 0.000 0.613 640 A CB -0.466 18.608 19.000 0.122 0.000 0.829 640 A HN 0.514 nan 8.150 nan 0.000 0.442 641 R N -1.974 118.695 120.500 0.281 0.000 2.096 641 R HA -0.093 2.073 4.340 -3.624 0.000 0.235 641 R C 1.988 178.584 176.300 0.495 0.000 1.127 641 R CA 1.425 57.747 56.100 0.370 0.000 0.968 641 R CB -0.486 30.088 30.300 0.455 0.000 0.861 641 R HN 0.590 nan 8.270 nan 0.000 0.440 642 F N 1.527 121.713 119.950 0.394 0.000 2.069 642 F HA -0.230 2.123 4.527 -3.623 0.000 0.298 642 F C 2.307 178.373 175.800 0.443 0.000 1.113 642 F CA 1.633 59.908 58.000 0.459 0.000 1.214 642 F CB -0.472 38.621 39.000 0.155 0.000 0.978 642 F HN -0.021 nan 8.300 nan 0.000 0.474 643 A N -0.180 122.805 122.820 0.274 0.000 1.902 643 A HA -0.268 1.877 4.320 -3.624 0.000 0.217 643 A C 2.264 179.881 177.584 0.055 0.000 1.181 643 A CA 1.818 53.932 52.037 0.128 0.000 0.623 643 A CB -1.091 18.016 19.000 0.179 0.000 0.818 643 A HN 0.652 nan 8.150 nan 0.000 0.443 644 Q N -0.245 119.614 119.800 0.097 0.000 2.020 644 Q HA -0.133 2.032 4.340 -3.624 0.000 0.202 644 Q C 1.962 177.935 176.000 -0.044 0.000 0.982 644 Q CA 2.140 57.970 55.803 0.044 0.000 0.838 644 Q CB -0.206 28.579 28.738 0.079 0.000 0.899 644 Q HN 0.398 nan 8.270 nan 0.000 0.423 645 V N 1.474 121.358 119.914 -0.050 0.000 2.427 645 V HA -0.247 1.699 4.120 -3.624 0.000 0.248 645 V C 2.416 178.304 176.094 -0.344 0.000 1.051 645 V CA 2.083 64.201 62.300 -0.302 0.000 1.048 645 V CB -0.670 30.796 31.823 -0.595 0.000 0.666 645 V HN 0.401 nan 8.190 nan 0.000 0.456 646 K N 0.682 120.971 120.400 -0.186 0.000 2.026 646 K HA -0.194 1.952 4.320 -3.624 0.000 0.208 646 K C 2.196 178.750 176.600 -0.076 0.000 1.048 646 K CA 1.735 57.957 56.287 -0.108 0.000 0.929 646 K CB -0.366 32.014 32.500 -0.200 0.000 0.713 646 K HN 0.401 nan 8.250 nan 0.000 0.439 647 A N 1.381 124.167 122.820 -0.057 0.000 1.902 647 A HA -0.100 2.046 4.320 -3.624 0.000 0.217 647 A C 2.159 179.724 177.584 -0.031 0.000 1.181 647 A CA 1.324 53.348 52.037 -0.022 0.000 0.623 647 A CB -0.624 18.378 19.000 0.002 0.000 0.818 647 A HN 0.342 nan 8.150 nan 0.000 0.443 648 L N -0.702 120.481 121.223 -0.066 0.000 2.046 648 L HA -0.187 1.978 4.340 -3.624 0.000 0.208 648 L C 2.537 179.387 176.870 -0.034 0.000 1.077 648 L CA 1.044 55.857 54.840 -0.046 0.000 0.747 648 L CB -0.603 41.368 42.059 -0.146 0.000 0.896 648 L HN 0.363 nan 8.230 nan 0.000 0.432 649 L N -0.655 120.517 121.223 -0.085 0.000 2.079 649 L HA -0.253 1.913 4.340 -3.624 0.000 0.210 649 L C 2.738 179.562 176.870 -0.077 0.000 1.081 649 L CA 1.293 56.077 54.840 -0.093 0.000 0.752 649 L CB -0.435 41.548 42.059 -0.126 0.000 0.896 649 L HN 0.364 nan 8.230 nan 0.000 0.433 650 Q N -0.866 118.906 119.800 -0.048 0.000 2.084 650 Q HA -0.174 1.991 4.340 -3.624 0.000 0.202 650 Q C 2.334 178.312 176.000 -0.037 0.000 0.978 650 Q CA 1.479 57.264 55.803 -0.030 0.000 0.844 650 Q CB -0.210 28.526 28.738 -0.003 0.000 0.898 650 Q HN 0.359 nan 8.270 nan 0.000 0.426 651 V N 1.071 120.971 119.914 -0.025 0.000 2.343 651 V HA -0.311 1.635 4.120 -3.624 0.000 0.247 651 V C 2.344 178.374 176.094 -0.107 0.000 1.051 651 V CA 2.162 64.457 62.300 -0.007 0.000 1.036 651 V CB -0.693 31.166 31.823 0.060 0.000 0.654 651 V HN 0.418 nan 8.190 nan 0.000 0.451 652 Q N -0.125 119.548 119.800 -0.211 0.000 2.096 652 Q HA -0.272 1.893 4.340 -3.624 0.000 0.204 652 Q C 2.422 178.188 176.000 -0.389 0.000 0.982 652 Q CA 2.006 57.509 55.803 -0.500 0.000 0.850 652 Q CB -0.237 28.265 28.738 -0.394 0.000 0.901 652 Q HN 0.653 nan 8.270 nan 0.000 0.422 653 E N 0.767 120.829 120.200 -0.230 0.000 2.077 653 E HA -0.244 1.931 4.350 -3.624 0.000 0.193 653 E C 2.021 178.525 176.600 -0.159 0.000 0.989 653 E CA 1.219 57.503 56.400 -0.194 0.000 0.800 653 E CB -0.130 29.505 29.700 -0.109 0.000 0.746 653 E HN 0.325 nan 8.360 nan 0.000 0.452 654 R N 0.126 120.567 120.500 -0.098 0.000 2.092 654 R HA -0.105 2.061 4.340 -3.624 0.000 0.231 654 R C 2.120 178.404 176.300 -0.025 0.000 1.119 654 R CA 1.267 57.348 56.100 -0.031 0.000 0.970 654 R CB 0.071 30.379 30.300 0.013 0.000 0.864 654 R HN 0.053 nan 8.270 nan 0.000 0.440 655 E N 0.087 120.249 120.200 -0.064 0.000 2.158 655 E HA -0.078 2.098 4.350 -3.624 0.000 0.191 655 E C 1.799 178.426 176.600 0.044 0.000 0.982 655 E CA 1.013 57.426 56.400 0.020 0.000 0.823 655 E CB -0.028 29.704 29.700 0.053 0.000 0.766 655 E HN 0.417 nan 8.360 nan 0.000 0.468 656 A N 0.968 123.628 122.820 -0.265 0.000 1.933 656 A HA -0.126 2.019 4.320 -3.624 0.000 0.218 656 A C 2.567 180.018 177.584 -0.221 0.000 1.175 656 A CA 1.242 52.920 52.037 -0.598 0.000 0.628 656 A CB -0.600 17.697 19.000 -1.171 0.000 0.814 656 A HN 0.122 nan 8.150 nan 0.000 0.444 657 V N -0.075 119.747 119.914 -0.154 0.000 2.343 657 V HA -0.258 1.688 4.120 -3.624 0.000 0.247 657 V C 2.645 178.703 176.094 -0.060 0.000 1.051 657 V CA 2.327 64.567 62.300 -0.099 0.000 1.036 657 V CB -0.773 31.024 31.823 -0.044 0.000 0.654 657 V HN 0.677 nan 8.190 nan 0.000 0.451 658 R N -1.469 119.039 120.500 0.014 0.000 2.081 658 R HA -0.213 1.953 4.340 -3.624 0.000 0.235 658 R C 2.144 178.391 176.300 -0.088 0.000 1.131 658 R CA 2.101 58.214 56.100 0.022 0.000 0.960 658 R CB -0.328 30.017 30.300 0.075 0.000 0.856 658 R HN 0.558 nan 8.270 nan 0.000 0.436 659 W N 0.748 121.982 121.300 -0.110 0.000 2.354 659 W HA -0.124 2.364 4.660 -3.620 0.000 0.315 659 W C 2.672 179.105 176.519 -0.144 0.000 1.206 659 W CA 1.724 59.021 57.345 -0.080 0.000 1.290 659 W CB -0.251 29.261 29.460 0.088 0.000 1.152 659 W HN 0.105 nan 8.180 nan 0.000 0.489 660 R N 0.391 120.949 120.500 0.097 0.000 2.080 660 R HA -0.206 1.960 4.340 -3.624 0.000 0.236 660 R C 1.794 177.897 176.300 -0.328 0.000 1.137 660 R CA 2.067 58.097 56.100 -0.116 0.000 0.943 660 R CB -0.707 29.457 30.300 -0.228 0.000 0.846 660 R HN 0.139 nan 8.270 nan 0.000 0.431 661 N N 0.189 118.663 118.700 -0.376 0.000 2.120 661 N HA -0.090 2.476 4.740 -3.624 0.000 0.188 661 N C 1.811 176.981 175.510 -0.566 0.000 1.024 661 N CA 1.685 54.422 53.050 -0.521 0.000 0.852 661 N CB -0.339 37.672 38.487 -0.794 0.000 1.003 661 N HN 0.151 nan 8.380 nan 0.000 0.424 662 S N -0.019 115.360 115.700 -0.535 0.000 2.368 662 S HA -0.074 2.222 4.470 -3.624 0.000 0.224 662 S C 2.269 176.798 174.600 -0.118 0.000 1.029 662 S CA 0.816 58.883 58.200 -0.222 0.000 0.988 662 S CB -0.332 62.798 63.200 -0.117 0.000 0.838 662 S HN 0.444 nan 8.310 nan 0.000 0.462 663 C N 0.889 120.023 119.300 -0.277 0.000 2.476 663 C HA 0.079 2.365 4.460 -3.624 0.000 0.278 663 C C 2.684 177.536 174.990 -0.230 0.000 1.274 663 C CA 0.100 58.909 59.018 -0.348 0.000 1.713 663 C CB -1.232 26.202 27.740 -0.510 0.000 2.039 663 C HN 0.388 nan 8.230 nan 0.000 0.484 664 V N 1.218 120.954 119.914 -0.296 0.000 2.295 664 V HA -0.216 1.730 4.120 -3.624 0.000 0.246 664 V C 2.363 178.533 176.094 0.126 0.000 1.049 664 V CA 1.853 64.123 62.300 -0.049 0.000 1.024 664 V CB -0.655 31.128 31.823 -0.066 0.000 0.648 664 V HN 0.545 nan 8.190 nan 0.000 0.447 665 L N -1.268 119.984 121.223 0.048 0.000 2.083 665 L HA -0.207 1.959 4.340 -3.624 0.000 0.209 665 L C 2.489 179.420 176.870 0.102 0.000 1.083 665 L CA 1.961 56.860 54.840 0.098 0.000 0.752 665 L CB -0.678 41.442 42.059 0.102 0.000 0.899 665 L HN 0.461 nan 8.230 nan 0.000 0.433 666 Y N 0.248 120.542 120.300 -0.011 0.000 2.133 666 Y HA -0.259 2.117 4.550 -3.623 0.000 0.287 666 Y C 2.252 178.103 175.900 -0.081 0.000 1.134 666 Y CA 1.400 59.470 58.100 -0.050 0.000 1.133 666 Y CB -0.458 37.934 38.460 -0.114 0.000 0.987 666 Y HN -0.036 nan 8.280 nan 0.000 0.502 667 F N 1.016 120.920 119.950 -0.077 0.000 2.234 667 F HA -0.176 2.176 4.527 -3.625 0.000 0.299 667 F C 2.747 178.424 175.800 -0.204 0.000 1.087 667 F CA 1.707 59.639 58.000 -0.113 0.000 1.340 667 F CB -1.146 38.008 39.000 0.256 0.000 1.031 667 F HN 0.207 nan 8.300 nan 0.000 0.500 668 Q N 0.606 120.455 119.800 0.082 0.000 2.061 668 Q HA -0.235 1.931 4.340 -3.624 0.000 0.204 668 Q C 2.397 178.228 176.000 -0.281 0.000 0.984 668 Q CA 2.524 58.184 55.803 -0.237 0.000 0.846 668 Q CB -0.257 28.491 28.738 0.017 0.000 0.902 668 Q HN 0.434 nan 8.270 nan 0.000 0.421 669 S N -0.982 114.607 115.700 -0.184 0.000 2.419 669 S HA -0.106 2.190 4.470 -3.624 0.000 0.235 669 S C 1.795 176.282 174.600 -0.189 0.000 1.019 669 S CA 1.328 59.431 58.200 -0.161 0.000 0.982 669 S CB -0.276 62.866 63.200 -0.097 0.000 0.789 669 S HN 0.279 nan 8.310 nan 0.000 0.490 670 V N 1.615 121.379 119.914 -0.251 0.000 2.426 670 V HA 0.208 2.153 4.120 -3.624 0.000 0.242 670 V C 3.064 179.080 176.094 -0.130 0.000 1.036 670 V CA 1.220 63.437 62.300 -0.138 0.000 1.044 670 V CB -1.201 30.569 31.823 -0.087 0.000 0.688 670 V HN 0.618 nan 8.190 nan 0.000 0.462 671 A N -0.147 122.475 122.820 -0.331 0.000 1.970 671 A HA 0.284 2.430 4.320 -3.624 0.000 0.216 671 A C 1.997 179.232 177.584 -0.583 0.000 1.170 671 A CA 1.252 52.913 52.037 -0.626 0.000 0.645 671 A CB -0.752 17.308 19.000 -1.567 0.000 0.816 671 A HN 1.348 nan 8.150 nan 0.000 0.447 672 G N -0.724 107.763 108.800 -0.523 0.000 2.246 672 G HA2 -0.245 1.541 3.960 -3.624 0.000 0.273 672 G HA3 -0.245 1.541 3.960 -3.624 0.000 0.273 672 G C 0.055 174.673 174.900 -0.470 0.000 1.055 672 G CA 0.451 45.321 45.100 -0.384 0.000 0.851 672 G HN 0.681 nan 8.290 nan 0.000 0.500 673 R N 0.143 120.187 120.500 -0.761 0.000 2.740 673 R HA 0.581 2.747 4.340 -3.624 0.000 0.282 673 R C -2.467 173.577 176.300 -0.427 0.000 0.969 673 R CA -1.971 53.688 56.100 -0.734 0.000 0.918 673 R CB 2.384 31.879 30.300 -1.340 0.000 1.175 673 R HN 0.138 nan 8.270 nan 0.000 0.464 674 P HA 0.178 nan 4.420 nan 0.000 0.277 674 P C -0.406 177.090 177.300 0.325 0.000 1.240 674 P CA -0.249 62.904 63.100 0.087 0.000 0.798 674 P CB 0.759 32.494 31.700 0.057 0.000 0.979 675 I N 3.512 124.243 120.570 0.268 0.000 2.471 675 I HA 0.139 2.135 4.170 -3.624 0.000 0.286 675 I C -1.751 174.464 176.117 0.164 0.000 1.079 675 I CA -1.939 59.485 61.300 0.207 0.000 1.398 675 I CB -0.118 37.961 38.000 0.131 0.000 1.403 675 I HN 0.178 nan 8.210 nan 0.000 0.530 676 P HA -0.030 nan 4.420 nan 0.000 0.265 676 P C 0.426 177.806 177.300 0.134 0.000 1.187 676 P CA -0.018 63.193 63.100 0.186 0.000 0.766 676 P CB 0.790 32.644 31.700 0.257 0.000 0.820 677 A N 3.601 126.448 122.820 0.046 0.000 2.070 677 A HA -0.196 1.950 4.320 -3.624 0.000 0.220 677 A C 1.619 179.165 177.584 -0.063 0.000 1.159 677 A CA 1.558 53.596 52.037 0.003 0.000 0.656 677 A CB -1.041 17.956 19.000 -0.004 0.000 0.800 677 A HN 0.715 nan 8.150 nan 0.000 0.453 678 N N -1.140 117.462 118.700 -0.163 0.000 2.571 678 N HA -0.045 2.520 4.740 -3.624 0.000 0.189 678 N C -0.637 174.583 175.510 -0.483 0.000 1.154 678 N CA 0.273 53.138 53.050 -0.309 0.000 0.907 678 N CB -0.438 37.828 38.487 -0.369 0.000 0.977 678 N HN 0.475 nan 8.380 nan 0.000 0.449 679 Y N 1.781 121.970 120.300 -0.185 0.000 2.341 679 Y HA 0.187 2.563 4.550 -3.624 0.000 0.337 679 Y C 0.470 176.281 175.900 -0.148 0.000 1.014 679 Y CA -1.601 56.291 58.100 -0.347 0.000 1.111 679 Y CB 0.950 38.892 38.460 -0.863 0.000 1.194 679 Y HN 0.068 nan 8.280 nan 0.000 0.462 680 E N 3.551 123.851 120.200 0.166 0.000 2.415 680 E HA -0.042 2.134 4.350 -3.624 0.000 0.260 680 E C -0.522 176.224 176.600 0.244 0.000 1.016 680 E CA -0.422 56.091 56.400 0.189 0.000 0.924 680 E CB 0.713 30.525 29.700 0.187 0.000 0.961 680 E HN 0.525 nan 8.360 nan 0.000 0.459 681 Q N 3.823 123.711 119.800 0.146 0.000 2.337 681 Q HA 0.136 2.302 4.340 -3.624 0.000 0.270 681 Q C -2.038 174.039 176.000 0.129 0.000 1.002 681 Q CA -1.620 54.267 55.803 0.139 0.000 0.888 681 Q CB 0.810 29.597 28.738 0.081 0.000 1.222 681 Q HN 0.493 nan 8.270 nan 0.000 0.400 682 P HA -0.083 nan 4.420 nan 0.000 0.265 682 P C 0.324 177.671 177.300 0.079 0.000 1.187 682 P CA 0.354 63.527 63.100 0.121 0.000 0.766 682 P CB 0.500 32.279 31.700 0.132 0.000 0.820 683 E N 0.677 120.907 120.200 0.050 0.000 2.130 683 E HA -0.212 1.964 4.350 -3.624 0.000 0.196 683 E C 0.041 176.314 176.600 -0.546 0.000 0.998 683 E CA 1.507 57.782 56.400 -0.208 0.000 0.806 683 E CB -0.009 29.583 29.700 -0.180 0.000 0.738 683 E HN 0.634 nan 8.360 nan 0.000 0.459 684 H N -1.505 117.540 119.070 -0.041 0.000 2.960 684 H HA 0.127 2.509 4.556 -3.624 0.000 0.303 684 H C -0.608 174.757 175.328 0.061 0.000 1.412 684 H CA -0.857 55.056 56.048 -0.224 0.000 1.227 684 H CB 0.937 30.119 29.762 -0.966 0.000 1.912 684 H HN -0.040 nan 8.280 nan 0.000 0.583 685 D N -0.111 120.388 120.400 0.164 0.000 2.466 685 D HA 0.020 2.485 4.640 -3.624 0.000 0.262 685 D C 1.151 177.621 176.300 0.283 0.000 1.177 685 D CA -0.701 53.416 54.000 0.194 0.000 1.035 685 D CB 0.730 41.589 40.800 0.099 0.000 1.105 685 D HN 0.381 nan 8.370 nan 0.000 0.551 686 L N -0.158 121.186 121.223 0.201 0.000 2.017 686 L HA -0.124 2.042 4.340 -3.624 0.000 0.208 686 L C 2.081 178.975 176.870 0.041 0.000 1.073 686 L CA 2.127 57.070 54.840 0.171 0.000 0.745 686 L CB -1.134 40.979 42.059 0.090 0.000 0.894 686 L HN 0.636 nan 8.230 nan 0.000 0.432 687 E N -1.127 119.067 120.200 -0.009 0.000 2.118 687 E HA -0.337 1.839 4.350 -3.624 0.000 0.195 687 E C 2.188 178.736 176.600 -0.087 0.000 0.992 687 E CA 1.849 58.197 56.400 -0.087 0.000 0.804 687 E CB -0.758 28.907 29.700 -0.059 0.000 0.741 687 E HN 0.645 nan 8.360 nan 0.000 0.458 688 Y N -0.465 119.728 120.300 -0.179 0.000 2.207 688 Y HA -0.260 2.116 4.550 -3.624 0.000 0.287 688 Y C 1.648 177.309 175.900 -0.398 0.000 1.156 688 Y CA 2.050 59.956 58.100 -0.324 0.000 1.182 688 Y CB -0.394 37.807 38.460 -0.432 0.000 0.979 688 Y HN 0.141 nan 8.280 nan 0.000 0.521 689 Y N 0.074 120.408 120.300 0.057 0.000 2.373 689 Y HA -0.111 2.264 4.550 -3.623 0.000 0.293 689 Y C 2.321 178.146 175.900 -0.125 0.000 1.129 689 Y CA 1.270 59.370 58.100 0.001 0.000 1.226 689 Y CB -0.169 38.366 38.460 0.125 0.000 1.000 689 Y HN 0.006 nan 8.280 nan 0.000 0.549 690 K N -0.330 119.927 120.400 -0.239 0.000 2.097 690 K HA -0.197 1.949 4.320 -3.624 0.000 0.205 690 K C 2.186 178.656 176.600 -0.216 0.000 1.050 690 K CA 1.312 57.338 56.287 -0.434 0.000 0.938 690 K CB -0.191 31.913 32.500 -0.660 0.000 0.718 690 K HN 0.263 nan 8.250 nan 0.000 0.442 691 M N 1.247 120.696 119.600 -0.252 0.000 2.117 691 M HA -0.143 2.163 4.480 -3.624 0.000 0.262 691 M C 1.832 177.981 176.300 -0.252 0.000 1.065 691 M CA 1.626 56.774 55.300 -0.254 0.000 1.114 691 M CB -0.365 32.035 32.600 -0.333 0.000 1.361 691 M HN 0.157 nan 8.290 nan 0.000 0.408 692 L N 0.191 121.216 121.223 -0.330 0.000 2.083 692 L HA -0.165 2.000 4.340 -3.624 0.000 0.209 692 L C 2.686 179.521 176.870 -0.059 0.000 1.083 692 L CA 1.129 55.831 54.840 -0.230 0.000 0.752 692 L CB -1.030 40.895 42.059 -0.223 0.000 0.899 692 L HN 0.363 nan 8.230 nan 0.000 0.433 693 A N 0.177 123.005 122.820 0.014 0.000 1.933 693 A HA -0.187 1.959 4.320 -3.624 0.000 0.218 693 A C 2.355 179.972 177.584 0.055 0.000 1.175 693 A CA 1.310 53.396 52.037 0.081 0.000 0.628 693 A CB -0.396 18.776 19.000 0.287 0.000 0.814 693 A HN 0.339 nan 8.150 nan 0.000 0.444 694 R N -0.828 119.685 120.500 0.021 0.000 2.148 694 R HA -0.052 2.114 4.340 -3.624 0.000 0.223 694 R C 1.866 178.171 176.300 0.007 0.000 1.088 694 R CA 1.641 57.749 56.100 0.014 0.000 0.985 694 R CB -0.224 30.067 30.300 -0.015 0.000 0.880 694 R HN 0.738 nan 8.270 nan 0.000 0.451 695 T N -3.943 110.602 114.554 -0.014 0.000 2.971 695 T HA 0.095 2.271 4.350 -3.624 0.000 0.252 695 T C 0.803 175.525 174.700 0.037 0.000 1.022 695 T CA -0.213 61.885 62.100 -0.005 0.000 0.980 695 T CB 0.410 69.246 68.868 -0.053 0.000 1.044 695 T HN -0.171 nan 8.240 nan 0.000 0.501 696 T N 3.477 118.059 114.554 0.048 0.000 2.799 696 T HA 0.235 2.411 4.350 -3.624 0.000 0.296 696 T C -0.542 174.254 174.700 0.160 0.000 0.947 696 T CA -0.369 61.795 62.100 0.107 0.000 1.141 696 T CB -0.184 68.747 68.868 0.105 0.000 0.891 696 T HN 0.358 nan 8.240 nan 0.000 0.533 697 Y N 4.536 124.873 120.300 0.061 0.000 2.810 697 Y HA 0.118 2.494 4.550 -3.623 0.000 0.332 697 Y C -0.119 175.791 175.900 0.017 0.000 1.243 697 Y CA -0.082 58.044 58.100 0.043 0.000 1.537 697 Y CB 0.248 38.728 38.460 0.033 0.000 1.265 697 Y HN 0.355 nan 8.280 nan 0.000 0.572 698 V N 9.937 129.446 119.914 -0.676 0.000 2.348 698 V HA 0.230 2.176 4.120 -3.624 0.000 0.270 698 V C -2.000 173.531 176.094 -0.938 0.000 1.037 698 V CA -1.673 60.262 62.300 -0.608 0.000 0.872 698 V CB 1.049 32.753 31.823 -0.199 0.000 1.002 698 V HN 0.710 nan 8.190 nan 0.000 0.464 699 P HA 0.288 nan 4.420 nan 0.000 0.231 699 P C -0.384 176.993 177.300 0.128 0.000 1.811 699 P CA 0.166 63.111 63.100 -0.258 0.000 1.051 699 P CB 0.277 31.942 31.700 -0.058 0.000 1.951 700 E N 2.653 122.897 120.200 0.075 0.000 2.311 700 E HA 0.250 2.426 4.350 -3.624 0.000 0.281 700 E C -2.340 174.328 176.600 0.114 0.000 0.905 700 E CA -2.072 54.413 56.400 0.143 0.000 0.778 700 E CB 2.179 31.949 29.700 0.117 0.000 1.240 700 E HN -0.091 nan 8.360 nan 0.000 0.410 701 P HA -0.089 nan 4.420 nan 0.000 0.217 701 P C 0.848 178.220 177.300 0.121 0.000 1.150 701 P CA 0.689 63.858 63.100 0.115 0.000 0.832 701 P CB 0.027 31.792 31.700 0.109 0.000 0.787 702 W N 0.046 121.331 121.300 -0.025 0.000 2.378 702 W HA -0.100 2.393 4.660 -3.612 0.000 0.313 702 W C 1.215 177.725 176.519 -0.014 0.000 1.197 702 W CA 1.375 58.703 57.345 -0.029 0.000 1.304 702 W CB -0.854 28.571 29.460 -0.057 0.000 1.148 702 W HN -0.079 nan 8.180 nan 0.000 0.494 703 H N 1.465 120.404 119.070 -0.219 0.000 2.803 703 H HA 0.045 2.426 4.556 -3.624 0.000 0.330 703 H C -1.566 173.529 175.328 -0.388 0.000 1.057 703 H CA -0.798 54.897 56.048 -0.588 0.000 1.458 703 H CB 1.347 30.987 29.762 -0.203 0.000 1.470 703 H HN -0.098 nan 8.280 nan 0.000 0.560 704 P HA -0.174 nan 4.420 nan 0.000 0.218 704 P C 1.137 178.377 177.300 -0.101 0.000 1.146 704 P CA 1.801 64.666 63.100 -0.392 0.000 0.820 704 P CB 0.035 31.453 31.700 -0.471 0.000 0.778 705 A N 0.203 123.103 122.820 0.133 0.000 1.986 705 A HA -0.224 1.922 4.320 -3.624 0.000 0.220 705 A C 2.289 179.900 177.584 0.045 0.000 1.171 705 A CA 2.243 54.362 52.037 0.136 0.000 0.640 705 A CB -1.593 17.516 19.000 0.181 0.000 0.811 705 A HN 0.382 nan 8.150 nan 0.000 0.451 706 S N -0.927 114.781 115.700 0.013 0.000 2.474 706 S HA -0.032 2.264 4.470 -3.624 0.000 0.235 706 S C 1.501 176.154 174.600 0.089 0.000 0.997 706 S CA 1.304 59.487 58.200 -0.029 0.000 0.949 706 S CB -0.292 62.881 63.200 -0.045 0.000 0.766 706 S HN 0.392 nan 8.310 nan 0.000 0.517 707 S N 1.047 116.773 115.700 0.043 0.000 2.556 707 S HA 0.292 2.587 4.470 -3.624 0.000 0.216 707 S C 0.618 175.243 174.600 0.041 0.000 0.970 707 S CA -0.239 57.988 58.200 0.044 0.000 0.912 707 S CB 0.138 63.336 63.200 -0.003 0.000 0.790 707 S HN 0.561 nan 8.310 nan 0.000 0.504 708 S N 1.711 117.438 115.700 0.046 0.000 2.525 708 S HA 0.160 2.456 4.470 -3.624 0.000 0.285 708 S C 0.853 175.482 174.600 0.048 0.000 1.283 708 S CA -0.269 57.954 58.200 0.039 0.000 1.072 708 S CB 0.305 63.530 63.200 0.043 0.000 0.867 708 S HN 0.366 nan 8.310 nan 0.000 0.492 709 R N 3.076 123.594 120.500 0.031 0.000 2.388 709 R HA 0.184 2.350 4.340 -3.624 0.000 0.247 709 R C -0.231 176.081 176.300 0.019 0.000 0.931 709 R CA -0.213 55.903 56.100 0.027 0.000 1.082 709 R CB 0.234 30.545 30.300 0.017 0.000 1.135 709 R HN 0.435 nan 8.270 nan 0.000 0.525 710 V N 1.849 121.775 119.914 0.020 0.000 2.599 710 V HA -0.056 1.890 4.120 -3.624 0.000 0.300 710 V C 1.074 177.170 176.094 0.003 0.000 1.034 710 V CA 0.885 63.190 62.300 0.009 0.000 1.115 710 V CB 0.922 32.751 31.823 0.011 0.000 0.934 710 V HN 0.378 nan 8.190 nan 0.000 0.485 711 L N 4.760 125.978 121.223 -0.009 0.000 3.135 711 L HA 0.377 2.543 4.340 -3.624 0.000 0.279 711 L C 0.672 177.520 176.870 -0.038 0.000 1.200 711 L CA 0.249 55.078 54.840 -0.019 0.000 1.016 711 L CB 0.106 42.157 42.059 -0.013 0.000 1.391 711 L HN 0.581 nan 8.230 nan 0.000 0.588 712 K N 0.000 120.375 120.400 -0.042 0.000 2.780 712 K HA 0.000 2.146 4.320 -3.624 0.000 0.191 712 K CA 0.000 56.252 56.287 -0.059 0.000 0.838 712 K CB 0.000 32.474 32.500 -0.043 0.000 1.064 712 K HN 0.000 nan 8.250 nan 0.000 0.543