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_B 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 0.000 176.632 176.600 0.053 0.000 1.382 5 E CA 0.000 56.418 56.400 0.030 0.000 0.976 5 E CB 0.000 29.717 29.700 0.028 0.000 0.812 6 D N 0.671 121.103 120.400 0.053 0.000 2.402 6 D HA 0.204 4.843 4.640 -0.002 0.000 0.216 6 D C 1.237 177.595 176.300 0.096 0.000 1.128 6 D CA 0.293 54.336 54.000 0.073 0.000 0.833 6 D CB 0.567 41.403 40.800 0.059 0.000 0.971 6 D HN 0.678 nan 8.370 nan 0.000 0.503 7 G N 0.294 109.134 108.800 0.068 0.000 2.179 7 G HA2 -0.466 3.493 3.960 -0.002 0.000 0.260 7 G HA3 -0.466 3.493 3.960 -0.002 0.000 0.260 7 G C 0.731 175.717 174.900 0.143 0.000 0.977 7 G CA 0.445 45.583 45.100 0.064 0.000 0.641 7 G HN 0.395 nan 8.290 nan 0.000 0.533 8 Y N 1.561 121.906 120.300 0.075 0.000 2.274 8 Y HA 0.012 4.562 4.550 -0.000 0.000 0.290 8 Y C 2.165 178.180 175.900 0.192 0.000 1.145 8 Y CA 2.181 60.398 58.100 0.194 0.000 1.203 8 Y CB 0.165 38.668 38.460 0.071 0.000 0.984 8 Y HN 0.306 nan 8.280 nan 0.000 0.533 9 D N -0.095 120.293 120.400 -0.021 0.000 2.355 9 D HA -0.088 4.551 4.640 -0.002 0.000 0.218 9 D C 1.486 177.473 176.300 -0.521 0.000 1.004 9 D CA 0.918 54.764 54.000 -0.257 0.000 0.880 9 D CB 0.056 40.737 40.800 -0.199 0.000 0.911 9 D HN 0.388 nan 8.370 nan 0.000 0.528 10 M N -0.720 118.601 119.600 -0.465 0.000 7.319 10 M HA -0.302 4.177 4.480 -0.002 0.000 0.304 10 M C 1.219 177.209 176.300 -0.517 0.000 0.480 10 M CA 2.039 56.984 55.300 -0.591 0.000 1.311 10 M CB -1.973 29.941 32.600 -1.144 0.000 0.421 10 M HN 0.364 nan 8.290 nan 0.000 0.665 11 W N 1.413 122.484 121.300 -0.382 0.000 3.290 11 W HA 0.596 5.256 4.660 -0.001 0.000 0.287 11 W C 0.673 176.964 176.519 -0.380 0.000 1.288 11 W CA -0.240 56.855 57.345 -0.417 0.000 1.725 11 W CB -0.532 28.716 29.460 -0.353 0.000 1.103 11 W HN 0.280 nan 8.180 nan 0.000 0.670 12 L N 2.860 123.772 121.223 -0.517 0.000 2.719 12 L HA 0.380 4.719 4.340 -0.002 0.000 0.236 12 L C 0.202 176.566 176.870 -0.844 0.000 1.285 12 L CA -0.221 54.242 54.840 -0.628 0.000 1.222 12 L CB -0.388 41.326 42.059 -0.575 0.000 1.493 12 L HN -0.104 nan 8.230 nan 0.000 0.415 13 R N 0.581 120.748 120.500 -0.554 0.000 2.204 13 R HA 0.234 4.573 4.340 -0.002 0.000 0.341 13 R C -1.026 175.123 176.300 -0.253 0.000 1.035 13 R CA -0.510 55.363 56.100 -0.379 0.000 0.887 13 R CB 0.585 30.737 30.300 -0.247 0.000 1.114 13 R HN 0.148 nan 8.270 nan 0.000 0.473 14 Y N 2.248 122.528 120.300 -0.033 0.000 2.812 14 Y HA 0.182 4.731 4.550 -0.002 0.000 0.354 14 Y C 0.381 176.266 175.900 -0.025 0.000 1.276 14 Y CA -0.580 57.505 58.100 -0.026 0.000 1.639 14 Y CB 0.056 38.506 38.460 -0.017 0.000 1.741 14 Y HN 0.371 nan 8.280 nan 0.000 0.479 15 Q N 1.929 121.782 119.800 0.088 0.000 2.214 15 Q HA 0.402 4.741 4.340 -0.002 0.000 0.251 15 Q C -2.385 173.642 176.000 0.044 0.000 0.936 15 Q CA -2.283 53.548 55.803 0.046 0.000 0.894 15 Q CB 1.160 29.902 28.738 0.007 0.000 1.252 15 Q HN 0.186 nan 8.270 nan 0.000 0.448 16 P HA -0.074 nan 4.420 nan 0.000 0.264 16 P C -0.650 176.673 177.300 0.039 0.000 1.183 16 P CA 0.126 63.245 63.100 0.032 0.000 0.763 16 P CB 0.332 32.046 31.700 0.023 0.000 0.807 17 I N 2.595 123.201 120.570 0.060 0.000 2.742 17 I HA -0.101 4.068 4.170 -0.002 0.000 0.287 17 I C 1.681 177.832 176.117 0.056 0.000 1.186 17 I CA 0.535 61.885 61.300 0.084 0.000 1.417 17 I CB -0.313 37.788 38.000 0.168 0.000 1.377 17 I HN 0.483 nan 8.210 nan 0.000 0.556 18 A N 5.896 128.740 122.820 0.041 0.000 1.929 18 A HA -0.118 4.201 4.320 -0.002 0.000 0.216 18 A C 1.096 178.691 177.584 0.019 0.000 1.176 18 A CA 0.676 52.727 52.037 0.023 0.000 0.628 18 A CB -0.224 18.785 19.000 0.015 0.000 0.816 18 A HN 0.750 nan 8.150 nan 0.000 0.444 19 D N 0.213 120.627 120.400 0.023 0.000 2.346 19 D HA 0.083 4.722 4.640 -0.002 0.000 0.260 19 D C 0.741 177.041 176.300 -0.000 0.000 1.252 19 D CA -0.057 53.947 54.000 0.006 0.000 0.895 19 D CB 0.674 41.473 40.800 -0.001 0.000 1.097 19 D HN 0.210 nan 8.370 nan 0.000 0.489 20 Q N 2.296 122.091 119.800 -0.008 0.000 2.124 20 Q HA -0.095 4.244 4.340 -0.002 0.000 0.202 20 Q C 1.775 177.756 176.000 -0.031 0.000 0.977 20 Q CA 1.174 56.970 55.803 -0.013 0.000 0.850 20 Q CB -0.370 28.360 28.738 -0.013 0.000 0.901 20 Q HN 0.528 nan 8.270 nan 0.000 0.429 21 T N 1.811 116.339 114.554 -0.044 0.000 2.737 21 T HA -0.045 4.304 4.350 -0.002 0.000 0.265 21 T C 2.065 176.701 174.700 -0.105 0.000 1.038 21 T CA 0.718 62.779 62.100 -0.065 0.000 1.144 21 T CB -0.187 68.644 68.868 -0.061 0.000 0.866 21 T HN 0.154 nan 8.240 nan 0.000 0.434 22 L N 0.467 121.617 121.223 -0.121 0.000 2.046 22 L HA -0.064 4.275 4.340 -0.002 0.000 0.208 22 L C 2.481 179.197 176.870 -0.257 0.000 1.077 22 L CA 0.840 55.536 54.840 -0.239 0.000 0.747 22 L CB -0.579 41.368 42.059 -0.187 0.000 0.896 22 L HN 0.242 nan 8.230 nan 0.000 0.432 23 L N 0.042 121.235 121.223 -0.050 0.000 2.043 23 L HA -0.237 4.102 4.340 -0.002 0.000 0.212 23 L C 2.569 179.452 176.870 0.021 0.000 1.075 23 L CA 1.878 56.761 54.840 0.071 0.000 0.752 23 L CB -0.607 41.490 42.059 0.062 0.000 0.891 23 L HN 0.071 nan 8.230 nan 0.000 0.432 24 K N -0.737 119.638 120.400 -0.041 0.000 2.057 24 K HA -0.078 4.241 4.320 -0.002 0.000 0.207 24 K C 2.046 178.597 176.600 -0.081 0.000 1.049 24 K CA 1.809 58.063 56.287 -0.054 0.000 0.931 24 K CB -1.081 31.381 32.500 -0.064 0.000 0.714 24 K HN 0.431 nan 8.250 nan 0.000 0.440 25 T N 0.991 115.461 114.554 -0.140 0.000 2.708 25 T HA -0.143 4.206 4.350 -0.002 0.000 0.266 25 T C 1.797 176.437 174.700 -0.100 0.000 1.037 25 T CA 1.334 63.333 62.100 -0.169 0.000 1.146 25 T CB -0.359 68.355 68.868 -0.256 0.000 0.865 25 T HN 0.099 nan 8.240 nan 0.000 0.435 26 Y N 1.852 122.133 120.300 -0.032 0.000 2.181 26 Y HA -0.079 4.470 4.550 -0.002 0.000 0.288 26 Y C 2.709 178.583 175.900 -0.044 0.000 1.146 26 Y CA 0.446 58.532 58.100 -0.024 0.000 1.164 26 Y CB -0.811 37.641 38.460 -0.014 0.000 0.982 26 Y HN 0.319 nan 8.280 nan 0.000 0.515 27 Q N -0.193 119.668 119.800 0.101 0.000 2.170 27 Q HA -0.171 4.168 4.340 -0.002 0.000 0.203 27 Q C 2.042 178.008 176.000 -0.057 0.000 0.976 27 Q CA 1.157 56.966 55.803 0.010 0.000 0.858 27 Q CB -0.011 28.721 28.738 -0.011 0.000 0.907 27 Q HN 0.306 nan 8.270 nan 0.000 0.433 28 K N 0.519 120.861 120.400 -0.097 0.000 2.116 28 K HA -0.083 4.236 4.320 -0.002 0.000 0.203 28 K C 1.927 178.379 176.600 -0.247 0.000 1.052 28 K CA 1.030 57.178 56.287 -0.232 0.000 0.952 28 K CB 0.034 32.376 32.500 -0.263 0.000 0.729 28 K HN 0.323 nan 8.250 nan 0.000 0.446 29 Q N 0.023 119.794 119.800 -0.049 0.000 2.137 29 Q HA 0.047 4.386 4.340 -0.002 0.000 0.198 29 Q C 0.248 176.347 176.000 0.164 0.000 0.960 29 Q CA 0.649 56.519 55.803 0.113 0.000 0.847 29 Q CB 0.379 29.202 28.738 0.142 0.000 0.915 29 Q HN 0.095 nan 8.270 nan 0.000 0.448 30 I N 1.030 121.654 120.570 0.090 0.000 2.460 30 I HA 0.218 4.387 4.170 -0.002 0.000 0.277 30 I C 0.431 176.542 176.117 -0.009 0.000 1.057 30 I CA 0.192 61.531 61.300 0.064 0.000 1.179 30 I CB 0.972 38.992 38.000 0.032 0.000 1.329 30 I HN 0.151 nan 8.210 nan 0.000 0.478 31 R N 2.840 123.322 120.500 -0.030 0.000 2.254 31 R HA 0.224 4.563 4.340 -0.002 0.000 0.193 31 R C 0.028 175.984 176.300 -0.574 0.000 0.929 31 R CA 0.372 56.304 56.100 -0.280 0.000 1.038 31 R CB 0.562 30.690 30.300 -0.287 0.000 1.009 31 R HN 0.543 nan 8.270 nan 0.000 0.512 32 H N -0.743 118.369 119.070 0.070 0.000 2.980 32 H HA 0.297 4.852 4.556 -0.002 0.000 0.367 32 H C -1.554 173.804 175.328 0.050 0.000 1.206 32 H CA -1.037 55.044 56.048 0.056 0.000 1.126 32 H CB 2.207 32.013 29.762 0.074 0.000 1.838 32 H HN -0.157 nan 8.280 nan 0.000 0.552 33 L N 2.231 123.550 121.223 0.161 0.000 2.372 33 L HA 0.238 4.577 4.340 -0.002 0.000 0.273 33 L C -0.912 176.016 176.870 0.096 0.000 0.989 33 L CA -0.323 54.573 54.840 0.092 0.000 0.841 33 L CB 0.792 42.863 42.059 0.021 0.000 1.225 33 L HN 0.601 nan 8.230 nan 0.000 0.414 34 H N 5.309 124.396 119.070 0.028 0.000 2.556 34 H HA 0.601 5.156 4.556 -0.002 0.000 0.310 34 H C -1.607 173.718 175.328 -0.004 0.000 1.057 34 H CA -0.313 55.742 56.048 0.011 0.000 1.264 34 H CB 1.421 31.188 29.762 0.008 0.000 1.404 34 H HN 0.449 nan 8.280 nan 0.000 0.462 35 V N 5.735 125.521 119.914 -0.213 0.000 2.419 35 V HA 0.238 4.357 4.120 -0.002 0.000 0.287 35 V C 0.911 176.908 176.094 -0.162 0.000 1.017 35 V CA -0.138 62.108 62.300 -0.090 0.000 0.844 35 V CB 0.869 32.648 31.823 -0.073 0.000 1.011 35 V HN 0.907 nan 8.190 nan 0.000 0.429 36 A N 3.571 126.369 122.820 -0.036 0.000 1.975 36 A HA 0.382 4.701 4.320 -0.002 0.000 0.215 36 A C 1.475 179.050 177.584 -0.015 0.000 1.170 36 A CA 1.018 53.046 52.037 -0.015 0.000 0.656 36 A CB -0.286 18.779 19.000 0.109 0.000 0.821 36 A HN 0.951 nan 8.150 nan 0.000 0.449 37 G N -0.124 108.672 108.800 -0.006 0.000 2.606 37 G HA2 0.376 4.335 3.960 -0.002 0.000 0.252 37 G HA3 0.376 4.335 3.960 -0.002 0.000 0.252 37 G C -0.105 174.780 174.900 -0.025 0.000 1.206 37 G CA 0.455 45.549 45.100 -0.011 0.000 0.861 37 G HN 0.405 nan 8.290 nan 0.000 0.561 38 D N -2.049 118.338 120.400 -0.020 0.000 2.615 38 D HA 0.056 4.695 4.640 -0.002 0.000 0.274 38 D C 0.909 177.197 176.300 -0.020 0.000 1.512 38 D CA 0.015 54.001 54.000 -0.023 0.000 0.803 38 D CB -0.541 40.247 40.800 -0.020 0.000 1.182 38 D HN 0.455 nan 8.370 nan 0.000 0.473 39 S N -0.040 115.648 115.700 -0.021 0.000 2.589 39 S HA 0.286 4.755 4.470 -0.002 0.000 0.265 39 S C -1.420 173.160 174.600 -0.034 0.000 1.342 39 S CA -0.611 57.577 58.200 -0.020 0.000 1.005 39 S CB 1.454 64.644 63.200 -0.017 0.000 0.909 39 S HN -0.213 nan 8.310 nan 0.000 0.555 40 P HA -0.077 nan 4.420 nan 0.000 0.216 40 P C 1.436 178.674 177.300 -0.103 0.000 1.153 40 P CA 1.514 64.584 63.100 -0.050 0.000 0.858 40 P CB -0.300 31.385 31.700 -0.026 0.000 0.789 41 T N -0.587 113.909 114.554 -0.096 0.000 2.812 41 T HA -0.060 4.289 4.350 -0.002 0.000 0.264 41 T C 1.719 176.340 174.700 -0.132 0.000 1.042 41 T CA 0.836 62.852 62.100 -0.139 0.000 1.140 41 T CB -0.618 68.194 68.868 -0.094 0.000 0.870 41 T HN -0.043 nan 8.240 nan 0.000 0.445 42 I N 2.286 122.803 120.570 -0.088 0.000 2.226 42 I HA -0.125 4.044 4.170 -0.002 0.000 0.245 42 I C 2.135 178.201 176.117 -0.085 0.000 1.100 42 I CA 1.258 62.513 61.300 -0.076 0.000 1.374 42 I CB -1.211 36.761 38.000 -0.047 0.000 1.057 42 I HN 0.218 nan 8.210 nan 0.000 0.413 43 N N 1.353 120.005 118.700 -0.080 0.000 2.166 43 N HA -0.116 4.623 4.740 -0.002 0.000 0.186 43 N C 1.904 177.360 175.510 -0.089 0.000 1.019 43 N CA 1.600 54.608 53.050 -0.070 0.000 0.856 43 N CB -0.279 38.177 38.487 -0.051 0.000 0.993 43 N HN 0.370 nan 8.380 nan 0.000 0.426 44 A N 0.569 123.296 122.820 -0.154 0.000 1.930 44 A HA 0.121 4.439 4.320 -0.002 0.000 0.217 44 A C 2.312 179.819 177.584 -0.127 0.000 1.175 44 A CA 1.662 53.576 52.037 -0.204 0.000 0.627 44 A CB -0.664 17.965 19.000 -0.618 0.000 0.815 44 A HN 0.304 nan 8.150 nan 0.000 0.443 45 A N 0.027 122.757 122.820 -0.150 0.000 1.873 45 A HA 0.208 4.527 4.320 -0.002 0.000 0.215 45 A C 2.526 180.018 177.584 -0.153 0.000 1.186 45 A CA 1.955 53.889 52.037 -0.171 0.000 0.616 45 A CB -1.113 17.799 19.000 -0.148 0.000 0.823 45 A HN 1.020 nan 8.150 nan 0.000 0.442 46 A N 0.049 122.804 122.820 -0.109 0.000 1.883 46 A HA 0.064 4.383 4.320 -0.002 0.000 0.217 46 A C 2.530 180.064 177.584 -0.083 0.000 1.186 46 A CA 2.477 54.461 52.037 -0.089 0.000 0.624 46 A CB -1.157 17.803 19.000 -0.068 0.000 0.822 46 A HN 1.143 nan 8.150 nan 0.000 0.444 47 A N -0.686 122.098 122.820 -0.059 0.000 1.940 47 A HA -0.167 4.152 4.320 -0.002 0.000 0.219 47 A C 1.981 179.540 177.584 -0.042 0.000 1.176 47 A CA 2.206 54.228 52.037 -0.025 0.000 0.631 47 A CB -0.470 18.545 19.000 0.026 0.000 0.814 47 A HN 0.559 nan 8.150 nan 0.000 0.446 48 E N -0.027 120.125 120.200 -0.080 0.000 2.072 48 E HA -0.075 4.274 4.350 -0.002 0.000 0.191 48 E C 1.845 178.291 176.600 -0.257 0.000 0.985 48 E CA 1.052 57.367 56.400 -0.142 0.000 0.801 48 E CB -0.322 29.198 29.700 -0.299 0.000 0.750 48 E HN 0.595 nan 8.360 nan 0.000 0.452 49 L N 0.210 121.288 121.223 -0.241 0.000 2.093 49 L HA -0.164 4.175 4.340 -0.002 0.000 0.208 49 L C 2.688 179.437 176.870 -0.203 0.000 1.085 49 L CA 1.164 55.861 54.840 -0.238 0.000 0.755 49 L CB -0.366 41.586 42.059 -0.178 0.000 0.904 49 L HN 0.221 nan 8.230 nan 0.000 0.435 50 Q N 0.082 119.797 119.800 -0.142 0.000 2.030 50 Q HA -0.247 4.092 4.340 -0.002 0.000 0.204 50 Q C 2.385 178.311 176.000 -0.123 0.000 0.986 50 Q CA 2.093 57.833 55.803 -0.105 0.000 0.843 50 Q CB -0.111 28.590 28.738 -0.061 0.000 0.904 50 Q HN 0.551 nan 8.270 nan 0.000 0.420 51 R N -0.602 119.821 120.500 -0.128 0.000 2.090 51 R HA -0.036 4.303 4.340 -0.002 0.000 0.228 51 R C 2.133 178.268 176.300 -0.275 0.000 1.110 51 R CA 1.432 57.468 56.100 -0.107 0.000 0.973 51 R CB -0.721 29.584 30.300 0.008 0.000 0.869 51 R HN 0.163 nan 8.270 nan 0.000 0.440 52 G N 2.160 110.598 108.800 -0.603 0.000 2.434 52 G HA2 -0.164 3.795 3.960 -0.002 0.000 0.214 52 G HA3 -0.164 3.795 3.960 -0.002 0.000 0.214 52 G C 1.612 176.210 174.900 -0.503 0.000 1.202 52 G CA 0.676 45.105 45.100 -1.119 0.000 0.788 52 G HN 0.167 nan 8.290 nan 0.000 0.539 53 L N 0.854 121.879 121.223 -0.330 0.000 2.083 53 L HA -0.085 4.254 4.340 -0.002 0.000 0.209 53 L C 3.183 179.973 176.870 -0.133 0.000 1.083 53 L CA 1.170 55.891 54.840 -0.199 0.000 0.752 53 L CB -0.355 41.611 42.059 -0.155 0.000 0.899 53 L HN 0.174 nan 8.230 nan 0.000 0.433 54 S N -0.023 115.605 115.700 -0.120 0.000 2.383 54 S HA -0.100 4.369 4.470 -0.002 0.000 0.227 54 S C 2.006 176.581 174.600 -0.041 0.000 1.026 54 S CA 1.207 59.367 58.200 -0.067 0.000 0.981 54 S CB -0.463 62.707 63.200 -0.050 0.000 0.818 54 S HN 0.607 nan 8.310 nan 0.000 0.472 55 G N 1.472 110.249 108.800 -0.039 0.000 2.394 55 G HA2 -0.051 3.908 3.960 -0.002 0.000 0.214 55 G HA3 -0.051 3.908 3.960 -0.002 0.000 0.214 55 G C 1.319 176.234 174.900 0.025 0.000 1.176 55 G CA 0.365 45.479 45.100 0.024 0.000 0.786 55 G HN 0.422 nan 8.290 nan 0.000 0.533 56 L N -0.496 120.726 121.223 -0.001 0.000 2.156 56 L HA 0.089 4.428 4.340 -0.002 0.000 0.208 56 L C 2.206 179.072 176.870 -0.008 0.000 1.095 56 L CA 0.294 55.133 54.840 -0.001 0.000 0.770 56 L CB -0.117 41.912 42.059 -0.050 0.000 0.914 56 L HN 0.115 nan 8.230 nan 0.000 0.439 57 L N -0.779 120.428 121.223 -0.027 0.000 2.607 57 L HA 0.114 4.453 4.340 -0.002 0.000 0.228 57 L C 0.746 177.616 176.870 -0.001 0.000 1.123 57 L CA 0.221 55.058 54.840 -0.004 0.000 0.890 57 L CB -0.779 41.266 42.059 -0.024 0.000 1.103 57 L HN 0.253 nan 8.230 nan 0.000 0.468 58 N N 1.216 119.915 118.700 -0.003 0.000 2.727 58 N HA -0.254 4.485 4.740 -0.002 0.000 0.249 58 N C -0.513 174.992 175.510 -0.010 0.000 1.048 58 N CA 1.108 54.157 53.050 -0.001 0.000 0.714 58 N CB -0.595 37.896 38.487 0.006 0.000 0.959 58 N HN 0.606 nan 8.380 nan 0.000 0.544 59 K N -2.031 118.357 120.400 -0.019 0.000 2.568 59 K HA 0.493 4.812 4.320 -0.002 0.000 0.273 59 K C -3.298 173.283 176.600 -0.030 0.000 0.951 59 K CA -1.743 54.530 56.287 -0.024 0.000 0.854 59 K CB 1.820 34.301 32.500 -0.032 0.000 1.424 59 K HN -0.140 nan 8.250 nan 0.000 0.427 60 P HA 0.152 nan 4.420 nan 0.000 0.269 60 P C -0.474 176.807 177.300 -0.031 0.000 1.252 60 P CA -0.089 62.998 63.100 -0.023 0.000 0.780 60 P CB 0.184 31.877 31.700 -0.012 0.000 0.829 61 I N 4.938 125.486 120.570 -0.038 0.000 2.355 61 I HA 0.286 4.455 4.170 -0.002 0.000 0.288 61 I C 0.197 176.298 176.117 -0.027 0.000 0.999 61 I CA -0.911 60.365 61.300 -0.039 0.000 1.163 61 I CB 1.886 39.851 38.000 -0.058 0.000 1.316 61 I HN 0.051 nan 8.210 nan 0.000 0.454 62 V N 5.225 125.135 119.914 -0.006 0.000 2.495 62 V HA 0.556 4.675 4.120 -0.002 0.000 0.298 62 V C 0.590 176.681 176.094 -0.004 0.000 1.031 62 V CA -0.890 61.406 62.300 -0.007 0.000 0.871 62 V CB 1.903 33.727 31.823 0.003 0.000 0.988 62 V HN 0.853 nan 8.190 nan 0.000 0.432 63 A N 6.374 129.179 122.820 -0.024 0.000 2.492 63 A HA 0.625 4.944 4.320 -0.002 0.000 0.254 63 A C 0.289 177.841 177.584 -0.053 0.000 1.091 63 A CA 0.090 52.103 52.037 -0.038 0.000 0.768 63 A CB 0.068 19.038 19.000 -0.051 0.000 1.028 63 A HN 0.842 nan 8.150 nan 0.000 0.498 64 R N 1.162 121.611 120.500 -0.084 0.000 2.774 64 R HA 0.397 4.736 4.340 -0.002 0.000 0.272 64 R C -1.775 174.364 176.300 -0.268 0.000 1.000 64 R CA -0.890 55.140 56.100 -0.117 0.000 0.906 64 R CB 1.906 32.168 30.300 -0.062 0.000 1.227 64 R HN 0.710 nan 8.270 nan 0.000 0.468 65 D N 2.398 122.651 120.400 -0.246 0.000 2.477 65 D HA 0.156 4.795 4.640 -0.002 0.000 0.239 65 D C -0.824 175.373 176.300 -0.172 0.000 1.102 65 D CA -0.213 53.588 54.000 -0.333 0.000 0.901 65 D CB 0.512 41.203 40.800 -0.182 0.000 1.026 65 D HN 0.539 nan 8.370 nan 0.000 0.515 66 E N 1.001 121.126 120.200 -0.124 0.000 2.458 66 E HA 0.338 4.687 4.350 -0.002 0.000 0.278 66 E C -0.683 175.989 176.600 0.119 0.000 1.004 66 E CA -1.239 55.165 56.400 0.007 0.000 0.823 66 E CB 1.159 30.850 29.700 -0.015 0.000 1.396 66 E HN -0.009 nan 8.360 nan 0.000 0.463 67 K N 1.274 121.710 120.400 0.060 0.000 2.484 67 K HA 0.018 4.337 4.320 -0.002 0.000 0.280 67 K C -0.162 176.458 176.600 0.033 0.000 1.013 67 K CA -0.407 55.906 56.287 0.043 0.000 1.029 67 K CB 0.295 32.798 32.500 0.005 0.000 0.902 67 K HN 0.493 nan 8.250 nan 0.000 0.481 68 L N 4.955 126.176 121.223 -0.004 0.000 2.601 68 L HA -0.030 4.308 4.340 -0.002 0.000 0.277 68 L C -0.447 176.385 176.870 -0.063 0.000 1.219 68 L CA 1.232 56.039 54.840 -0.055 0.000 0.915 68 L CB 0.159 42.127 42.059 -0.151 0.000 1.160 68 L HN 0.559 nan 8.230 nan 0.000 0.494 69 K N 3.435 123.785 120.400 -0.083 0.000 2.156 69 K HA 0.255 4.574 4.320 -0.002 0.000 0.250 69 K C -0.774 175.823 176.600 -0.005 0.000 0.955 69 K CA -1.079 55.136 56.287 -0.120 0.000 0.855 69 K CB 1.127 33.366 32.500 -0.435 0.000 1.101 69 K HN 0.565 nan 8.250 nan 0.000 0.434 70 D N 0.831 121.260 120.400 0.047 0.000 2.488 70 D HA -0.059 4.580 4.640 -0.002 0.000 0.238 70 D C -0.727 175.723 176.300 0.251 0.000 1.138 70 D CA 0.949 54.989 54.000 0.066 0.000 0.873 70 D CB 0.066 40.950 40.800 0.141 0.000 1.183 70 D HN 0.414 nan 8.370 nan 0.000 0.458 71 Y N 0.260 120.673 120.300 0.188 0.000 3.128 71 Y HA -0.241 4.308 4.550 -0.002 0.000 0.187 71 Y C 0.079 176.077 175.900 0.163 0.000 1.597 71 Y CA 0.309 58.497 58.100 0.147 0.000 1.183 71 Y CB -1.856 36.651 38.460 0.078 0.000 1.454 71 Y HN 0.099 nan 8.280 nan 0.000 0.460 72 S N 0.460 116.285 115.700 0.208 0.000 2.578 72 S HA 0.746 5.215 4.470 -0.002 0.000 0.301 72 S C -0.510 174.162 174.600 0.120 0.000 1.091 72 S CA -0.900 57.413 58.200 0.188 0.000 1.032 72 S CB 1.961 65.252 63.200 0.151 0.000 1.064 72 S HN 0.309 nan 8.310 nan 0.000 0.508 73 L N 3.568 124.854 121.223 0.105 0.000 2.264 73 L HA 0.598 4.937 4.340 -0.002 0.000 0.289 73 L C -1.223 175.691 176.870 0.074 0.000 1.044 73 L CA -0.121 54.757 54.840 0.064 0.000 0.807 73 L CB 0.770 42.847 42.059 0.029 0.000 1.192 73 L HN 0.400 nan 8.230 nan 0.000 0.425 74 V N 6.997 126.943 119.914 0.053 0.000 2.409 74 V HA 0.484 4.603 4.120 -0.002 0.000 0.291 74 V C 0.050 176.173 176.094 0.049 0.000 1.020 74 V CA -0.532 61.807 62.300 0.064 0.000 0.848 74 V CB 1.357 33.173 31.823 -0.012 0.000 0.990 74 V HN 0.752 nan 8.190 nan 0.000 0.430 75 I N 2.157 122.767 120.570 0.066 0.000 2.693 75 I HA 1.097 5.266 4.170 -0.002 0.000 0.303 75 I C 0.160 176.304 176.117 0.045 0.000 1.025 75 I CA -0.287 61.034 61.300 0.034 0.000 1.086 75 I CB 2.293 40.292 38.000 -0.002 0.000 1.268 75 I HN 0.802 nan 8.210 nan 0.000 0.440 76 G N 2.674 111.494 108.800 0.033 0.000 2.359 76 G HA2 0.351 4.310 3.960 -0.002 0.000 0.293 76 G HA3 0.351 4.310 3.960 -0.002 0.000 0.293 76 G C -0.892 174.030 174.900 0.037 0.000 1.300 76 G CA -0.247 44.873 45.100 0.033 0.000 0.888 76 G HN 1.025 nan 8.290 nan 0.000 0.541 77 T N -1.760 112.814 114.554 0.033 0.000 2.952 77 T HA 0.728 5.077 4.350 -0.002 0.000 0.286 77 T C -1.847 172.870 174.700 0.029 0.000 1.024 77 T CA -1.403 60.718 62.100 0.035 0.000 1.029 77 T CB 2.536 71.424 68.868 0.032 0.000 1.094 77 T HN 0.194 nan 8.240 nan 0.000 0.515 78 P HA -0.041 nan 4.420 nan 0.000 0.218 78 P C 0.900 178.211 177.300 0.018 0.000 1.148 78 P CA 0.927 64.038 63.100 0.019 0.000 0.822 78 P CB 0.038 31.748 31.700 0.018 0.000 0.784 79 D N -1.004 119.408 120.400 0.020 0.000 2.224 79 D HA -0.088 4.551 4.640 -0.002 0.000 0.205 79 D C 1.258 177.569 176.300 0.018 0.000 0.965 79 D CA 1.118 55.129 54.000 0.018 0.000 0.852 79 D CB -0.407 40.404 40.800 0.018 0.000 0.947 79 D HN 0.370 nan 8.370 nan 0.000 0.494 80 N N -1.269 117.443 118.700 0.021 0.000 2.184 80 N HA -0.008 4.731 4.740 -0.002 0.000 0.206 80 N C -0.410 175.119 175.510 0.032 0.000 1.151 80 N CA -0.180 52.883 53.050 0.021 0.000 0.878 80 N CB 0.752 39.248 38.487 0.016 0.000 1.014 80 N HN -0.175 nan 8.380 nan 0.000 0.512 81 S N 0.379 116.100 115.700 0.035 0.000 2.620 81 S HA 0.435 4.904 4.470 -0.002 0.000 0.244 81 S C -2.288 172.329 174.600 0.028 0.000 1.192 81 S CA -1.183 57.047 58.200 0.050 0.000 1.148 81 S CB 1.097 64.333 63.200 0.061 0.000 1.106 81 S HN -0.171 nan 8.310 nan 0.000 0.474 82 P HA -0.110 nan 4.420 nan 0.000 0.217 82 P C 1.365 178.656 177.300 -0.015 0.000 1.148 82 P CA 0.990 64.093 63.100 0.006 0.000 0.828 82 P CB 0.122 31.827 31.700 0.009 0.000 0.783 83 L N -1.562 119.640 121.223 -0.035 0.000 2.056 83 L HA -0.150 4.189 4.340 -0.002 0.000 0.207 83 L C 2.256 179.094 176.870 -0.053 0.000 1.078 83 L CA 1.142 55.935 54.840 -0.079 0.000 0.749 83 L CB -0.753 41.199 42.059 -0.179 0.000 0.901 83 L HN -0.036 nan 8.230 nan 0.000 0.433 84 I N 0.261 120.814 120.570 -0.027 0.000 2.252 84 I HA -0.228 3.941 4.170 -0.002 0.000 0.245 84 I C 2.850 178.964 176.117 -0.005 0.000 1.102 84 I CA 1.560 62.855 61.300 -0.009 0.000 1.385 84 I CB -1.448 36.558 38.000 0.011 0.000 1.064 84 I HN 0.167 nan 8.210 nan 0.000 0.414 85 A N 1.033 123.852 122.820 -0.002 0.000 1.940 85 A HA -0.220 4.099 4.320 -0.002 0.000 0.219 85 A C 2.503 180.082 177.584 -0.008 0.000 1.176 85 A CA 2.256 54.292 52.037 -0.001 0.000 0.631 85 A CB -0.873 18.128 19.000 0.002 0.000 0.814 85 A HN 0.562 nan 8.150 nan 0.000 0.446 86 S N -0.266 115.424 115.700 -0.016 0.000 2.442 86 S HA -0.036 4.433 4.470 -0.002 0.000 0.236 86 S C 1.605 176.193 174.600 -0.021 0.000 1.007 86 S CA 1.287 59.474 58.200 -0.021 0.000 0.965 86 S CB -0.609 62.572 63.200 -0.032 0.000 0.773 86 S HN 0.452 nan 8.310 nan 0.000 0.504 87 L N 1.288 122.499 121.223 -0.019 0.000 2.552 87 L HA 0.124 4.463 4.340 -0.002 0.000 0.227 87 L C 0.975 177.840 176.870 -0.009 0.000 1.146 87 L CA 0.200 55.030 54.840 -0.017 0.000 0.858 87 L CB -0.932 41.118 42.059 -0.015 0.000 0.969 87 L HN 0.372 nan 8.230 nan 0.000 0.451 88 N N 0.551 119.247 118.700 -0.006 0.000 2.686 88 N HA -0.241 4.498 4.740 -0.002 0.000 0.261 88 N C 0.589 176.100 175.510 0.000 0.000 1.001 88 N CA 0.398 53.447 53.050 -0.003 0.000 0.764 88 N CB -1.006 37.478 38.487 -0.005 0.000 0.898 88 N HN 0.316 nan 8.380 nan 0.000 0.544 89 L N 0.014 121.240 121.223 0.004 0.000 2.141 89 L HA 0.035 4.374 4.340 -0.002 0.000 0.209 89 L C 2.239 179.114 176.870 0.008 0.000 1.094 89 L CA 1.012 55.857 54.840 0.008 0.000 0.763 89 L CB -0.776 41.292 42.059 0.015 0.000 0.908 89 L HN 0.679 nan 8.230 nan 0.000 0.437 90 G N 0.373 109.177 108.800 0.007 0.000 2.629 90 G HA2 -0.431 3.528 3.960 -0.002 0.000 0.313 90 G HA3 -0.431 3.528 3.960 -0.002 0.000 0.313 90 G C 0.806 175.710 174.900 0.006 0.000 1.217 90 G CA 0.659 45.763 45.100 0.006 0.000 0.994 90 G HN 0.364 nan 8.290 nan 0.000 0.549 91 E N 0.746 120.948 120.200 0.003 0.000 2.209 91 E HA -0.157 4.192 4.350 -0.002 0.000 0.196 91 E C 2.784 179.385 176.600 0.002 0.000 0.993 91 E CA 1.208 57.609 56.400 0.002 0.000 0.819 91 E CB -0.127 29.573 29.700 -0.001 0.000 0.745 91 E HN 0.530 nan 8.360 nan 0.000 0.477 92 R N 0.260 120.763 120.500 0.005 0.000 2.081 92 R HA -0.092 4.247 4.340 -0.002 0.000 0.235 92 R C 2.433 178.739 176.300 0.011 0.000 1.131 92 R CA 0.932 57.036 56.100 0.007 0.000 0.960 92 R CB -0.248 30.058 30.300 0.010 0.000 0.856 92 R HN 0.203 nan 8.270 nan 0.000 0.436 93 L N 0.636 121.869 121.223 0.016 0.000 2.179 93 L HA -0.122 4.217 4.340 -0.002 0.000 0.208 93 L C 2.487 179.367 176.870 0.018 0.000 1.096 93 L CA 1.027 55.881 54.840 0.023 0.000 0.779 93 L CB -0.312 41.764 42.059 0.028 0.000 0.922 93 L HN 0.267 nan 8.230 nan 0.000 0.443 94 Q N -0.071 119.735 119.800 0.010 0.000 2.077 94 Q HA -0.247 4.092 4.340 -0.002 0.000 0.206 94 Q C 2.262 178.261 176.000 -0.001 0.000 0.989 94 Q CA 1.885 57.691 55.803 0.005 0.000 0.853 94 Q CB -0.274 28.465 28.738 0.002 0.000 0.907 94 Q HN 0.551 nan 8.270 nan 0.000 0.418 95 A N 0.479 123.295 122.820 -0.007 0.000 2.172 95 A HA -0.072 4.247 4.320 -0.002 0.000 0.216 95 A C 1.879 179.447 177.584 -0.026 0.000 1.154 95 A CA 0.697 52.723 52.037 -0.018 0.000 0.701 95 A CB -0.399 18.589 19.000 -0.021 0.000 0.789 95 A HN 0.282 nan 8.150 nan 0.000 0.465 96 L N -1.353 119.863 121.223 -0.012 0.000 2.395 96 L HA 0.164 4.503 4.340 -0.002 0.000 0.218 96 L C 1.803 178.672 176.870 -0.002 0.000 1.130 96 L CA 0.325 55.159 54.840 -0.011 0.000 0.826 96 L CB -1.164 40.908 42.059 0.021 0.000 0.941 96 L HN 0.574 nan 8.230 nan 0.000 0.451 97 G N 0.567 109.368 108.800 0.002 0.000 2.564 97 G HA2 -0.389 3.570 3.960 -0.002 0.000 0.273 97 G HA3 -0.389 3.570 3.960 -0.002 0.000 0.273 97 G C 0.745 175.665 174.900 0.035 0.000 1.242 97 G CA 0.274 45.378 45.100 0.006 0.000 0.951 97 G HN 0.338 nan 8.290 nan 0.000 0.564 98 A N -0.968 121.873 122.820 0.036 0.000 2.178 98 A HA 0.447 4.766 4.320 -0.002 0.000 0.211 98 A C 1.769 179.423 177.584 0.116 0.000 1.157 98 A CA 1.946 54.021 52.037 0.064 0.000 0.780 98 A CB -0.061 18.971 19.000 0.053 0.000 0.828 98 A HN 0.676 nan 8.150 nan 0.000 0.476 99 E N -0.948 119.333 120.200 0.136 0.000 2.641 99 E HA 0.177 4.526 4.350 -0.002 0.000 0.224 99 E C 0.928 177.779 176.600 0.419 0.000 0.951 99 E CA -0.004 56.575 56.400 0.298 0.000 1.102 99 E CB 0.746 30.627 29.700 0.300 0.000 1.091 99 E HN 0.452 nan 8.360 nan 0.000 0.507 100 G N 0.875 109.812 108.800 0.228 0.000 2.616 100 G HA2 0.376 4.335 3.960 -0.002 0.000 0.268 100 G HA3 0.376 4.335 3.960 -0.002 0.000 0.268 100 G C -0.661 174.409 174.900 0.284 0.000 1.213 100 G CA -0.120 45.094 45.100 0.191 0.000 0.926 100 G HN 0.145 nan 8.290 nan 0.000 0.523 101 Y N -2.393 118.048 120.300 0.236 0.000 2.656 101 Y HA 0.685 5.234 4.550 -0.002 0.000 0.334 101 Y C -1.528 174.452 175.900 0.133 0.000 1.179 101 Y CA -1.824 56.380 58.100 0.174 0.000 1.050 101 Y CB 1.555 40.132 38.460 0.196 0.000 1.308 101 Y HN 0.630 nan 8.280 nan 0.000 0.456 102 L N 2.784 124.185 121.223 0.295 0.000 2.362 102 L HA 0.736 5.075 4.340 -0.002 0.000 0.275 102 L C -1.879 175.120 176.870 0.216 0.000 0.998 102 L CA -0.903 54.050 54.840 0.187 0.000 0.820 102 L CB 1.717 43.836 42.059 0.099 0.000 1.270 102 L HN 0.758 nan 8.230 nan 0.000 0.415 103 L N 4.697 126.024 121.223 0.173 0.000 2.313 103 L HA 0.684 5.023 4.340 -0.002 0.000 0.283 103 L C -0.640 176.259 176.870 0.049 0.000 1.013 103 L CA -0.457 54.434 54.840 0.086 0.000 0.816 103 L CB 1.774 43.843 42.059 0.018 0.000 1.236 103 L HN 0.693 nan 8.230 nan 0.000 0.419 104 E N 2.726 122.949 120.200 0.039 0.000 2.321 104 E HA 0.147 4.495 4.350 -0.002 0.000 0.281 104 E C -1.475 175.145 176.600 0.034 0.000 0.910 104 E CA -0.618 55.802 56.400 0.034 0.000 0.770 104 E CB 2.135 31.854 29.700 0.033 0.000 1.225 104 E HN 0.550 nan 8.360 nan 0.000 0.417 105 Q N 3.078 122.902 119.800 0.040 0.000 2.295 105 Q HA 0.312 4.651 4.340 -0.002 0.000 0.259 105 Q C -0.857 175.165 176.000 0.037 0.000 0.976 105 Q CA 0.479 56.312 55.803 0.050 0.000 0.923 105 Q CB 1.277 30.055 28.738 0.068 0.000 1.185 105 Q HN 0.625 nan 8.270 nan 0.000 0.410 106 T N 2.591 117.159 114.554 0.023 0.000 2.612 106 T HA 0.569 4.918 4.350 -0.002 0.000 0.296 106 T C -1.641 173.038 174.700 -0.035 0.000 1.148 106 T CA -0.707 61.392 62.100 -0.002 0.000 1.077 106 T CB 1.095 69.959 68.868 -0.006 0.000 1.591 106 T HN 0.528 nan 8.240 nan 0.000 0.479 107 R N 0.800 121.261 120.500 -0.066 0.000 2.686 107 R HA 0.680 5.019 4.340 -0.002 0.000 0.283 107 R C -1.193 175.047 176.300 -0.100 0.000 0.978 107 R CA -0.604 55.424 56.100 -0.120 0.000 0.897 107 R CB 1.308 31.514 30.300 -0.157 0.000 1.192 107 R HN 0.608 nan 8.270 nan 0.000 0.457 108 I N 2.332 122.833 120.570 -0.116 0.000 2.478 108 I HA 0.123 4.292 4.170 -0.002 0.000 0.287 108 I C -0.393 175.659 176.117 -0.108 0.000 1.042 108 I CA -0.910 60.330 61.300 -0.100 0.000 1.067 108 I CB 1.694 39.634 38.000 -0.101 0.000 1.233 108 I HN 0.656 nan 8.210 nan 0.000 0.431 109 N N 5.593 124.239 118.700 -0.091 0.000 2.700 109 N HA -0.290 4.449 4.740 -0.002 0.000 0.265 109 N C 0.169 175.618 175.510 -0.102 0.000 0.975 109 N CA 1.034 54.034 53.050 -0.083 0.000 0.800 109 N CB -1.134 37.313 38.487 -0.067 0.000 0.908 109 N HN 0.834 nan 8.380 nan 0.000 0.551 110 K N -4.320 116.002 120.400 -0.129 0.000 3.584 110 K HA -0.307 4.012 4.320 -0.002 0.000 0.300 110 K C -0.220 176.226 176.600 -0.256 0.000 1.285 110 K CA 1.591 57.775 56.287 -0.171 0.000 1.008 110 K CB -0.664 31.766 32.500 -0.115 0.000 1.271 110 K HN 0.485 nan 8.250 nan 0.000 0.447 111 R N 1.331 121.703 120.500 -0.213 0.000 2.390 111 R HA 0.219 4.558 4.340 -0.002 0.000 0.291 111 R C -0.414 175.701 176.300 -0.309 0.000 1.070 111 R CA -0.099 55.866 56.100 -0.226 0.000 1.014 111 R CB 0.299 30.518 30.300 -0.134 0.000 1.007 111 R HN 0.147 nan 8.270 nan 0.000 0.466 112 H N 0.883 119.742 119.070 -0.352 0.000 2.767 112 H HA 0.311 4.866 4.556 -0.002 0.000 0.316 112 H C 0.037 175.221 175.328 -0.241 0.000 1.059 112 H CA -0.002 55.817 56.048 -0.382 0.000 1.461 112 H CB 0.540 29.799 29.762 -0.839 0.000 1.475 112 H HN 0.362 nan 8.280 nan 0.000 0.531 113 V N 0.948 120.851 119.914 -0.017 0.000 3.078 113 V HA 0.665 4.783 4.120 -0.002 0.000 0.311 113 V C -0.803 175.315 176.094 0.040 0.000 1.138 113 V CA -0.992 61.315 62.300 0.011 0.000 1.007 113 V CB 2.176 33.984 31.823 -0.024 0.000 1.045 113 V HN 0.441 nan 8.190 nan 0.000 0.432 114 V N 4.044 123.988 119.914 0.050 0.000 2.448 114 V HA 0.575 4.694 4.120 -0.002 0.000 0.295 114 V C -0.003 176.108 176.094 0.028 0.000 1.025 114 V CA -0.379 61.948 62.300 0.044 0.000 0.859 114 V CB 1.457 33.313 31.823 0.054 0.000 0.988 114 V HN 0.984 nan 8.190 nan 0.000 0.431 115 I N 2.644 123.228 120.570 0.023 0.000 2.525 115 I HA 0.795 4.964 4.170 -0.002 0.000 0.301 115 I C -0.815 175.318 176.117 0.027 0.000 0.992 115 I CA -0.797 60.516 61.300 0.021 0.000 1.162 115 I CB 2.102 40.113 38.000 0.019 0.000 1.332 115 I HN 0.257 nan 8.210 nan 0.000 0.458 116 V N 5.238 125.167 119.914 0.025 0.000 2.304 116 V HA 0.703 4.822 4.120 -0.002 0.000 0.278 116 V C 0.345 176.472 176.094 0.056 0.000 1.018 116 V CA -0.263 62.055 62.300 0.030 0.000 0.814 116 V CB 0.709 32.520 31.823 -0.021 0.000 1.021 116 V HN 0.937 nan 8.190 nan 0.000 0.440 117 A N 4.023 126.900 122.820 0.096 0.000 2.355 117 A HA 1.052 5.371 4.320 -0.002 0.000 0.324 117 A C -0.159 177.507 177.584 0.137 0.000 1.117 117 A CA -0.006 52.086 52.037 0.092 0.000 0.785 117 A CB 1.902 20.943 19.000 0.069 0.000 1.254 117 A HN 1.389 nan 8.150 nan 0.000 0.453 118 A N 0.878 123.766 122.820 0.113 0.000 2.581 118 A HA 0.642 4.961 4.320 -0.002 0.000 0.290 118 A C 0.061 177.698 177.584 0.088 0.000 1.119 118 A CA -0.572 51.544 52.037 0.133 0.000 0.670 118 A CB 0.440 19.545 19.000 0.176 0.000 1.280 118 A HN 0.633 nan 8.150 nan 0.000 0.425 119 N N 0.105 118.856 118.700 0.084 0.000 2.333 119 N HA 0.008 4.747 4.740 -0.002 0.000 0.178 119 N C 0.826 176.369 175.510 0.055 0.000 1.018 119 N CA 1.503 54.589 53.050 0.060 0.000 0.882 119 N CB 0.084 38.602 38.487 0.052 0.000 0.984 119 N HN 0.798 nan 8.380 nan 0.000 0.434 120 S N -0.280 115.460 115.700 0.067 0.000 2.689 120 S HA 0.375 4.844 4.470 -0.002 0.000 0.306 120 S C 0.333 174.951 174.600 0.031 0.000 1.104 120 S CA -0.744 57.485 58.200 0.049 0.000 0.973 120 S CB 2.136 65.370 63.200 0.057 0.000 1.121 120 S HN -0.191 nan 8.310 nan 0.000 0.523 121 D N 0.711 121.115 120.400 0.007 0.000 2.144 121 D HA -0.068 4.571 4.640 -0.002 0.000 0.200 121 D C 1.923 178.182 176.300 -0.069 0.000 0.978 121 D CA 0.793 54.779 54.000 -0.022 0.000 0.833 121 D CB -0.437 40.347 40.800 -0.026 0.000 0.961 121 D HN 0.313 nan 8.370 nan 0.000 0.470 122 V N 0.754 120.613 119.914 -0.092 0.000 2.515 122 V HA -0.115 4.004 4.120 -0.002 0.000 0.250 122 V C 2.201 178.082 176.094 -0.354 0.000 1.058 122 V CA 2.196 64.334 62.300 -0.269 0.000 1.064 122 V CB -0.570 31.124 31.823 -0.214 0.000 0.675 122 V HN 0.263 nan 8.190 nan 0.000 0.461 123 G N -0.769 108.014 108.800 -0.028 0.000 2.418 123 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.217 123 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.217 123 G C 1.651 176.645 174.900 0.157 0.000 1.158 123 G CA 1.209 46.435 45.100 0.211 0.000 0.771 123 G HN 0.429 nan 8.290 nan 0.000 0.545 124 V N 0.664 120.603 119.914 0.043 0.000 2.343 124 V HA -0.125 3.994 4.120 -0.002 0.000 0.247 124 V C 2.671 178.727 176.094 -0.063 0.000 1.051 124 V CA 1.590 63.892 62.300 0.002 0.000 1.036 124 V CB -0.432 31.385 31.823 -0.010 0.000 0.654 124 V HN 0.358 nan 8.190 nan 0.000 0.451 125 L N -0.586 120.574 121.223 -0.105 0.000 2.012 125 L HA -0.182 4.157 4.340 -0.002 0.000 0.210 125 L C 2.387 179.304 176.870 0.080 0.000 1.073 125 L CA 2.197 56.986 54.840 -0.085 0.000 0.748 125 L CB -0.764 41.227 42.059 -0.113 0.000 0.891 125 L HN 0.335 nan 8.230 nan 0.000 0.431 126 Y N 0.015 120.396 120.300 0.135 0.000 2.181 126 Y HA -0.017 4.532 4.550 -0.002 0.000 0.288 126 Y C 2.582 178.270 175.900 -0.353 0.000 1.146 126 Y CA 0.807 58.938 58.100 0.050 0.000 1.164 126 Y CB -1.607 36.961 38.460 0.180 0.000 0.982 126 Y HN 0.242 nan 8.280 nan 0.000 0.515 127 G N -1.088 107.427 108.800 -0.475 0.000 2.422 127 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.218 127 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.218 127 G C 1.891 176.554 174.900 -0.394 0.000 1.146 127 G CA 1.217 45.719 45.100 -0.997 0.000 0.769 127 G HN 0.394 nan 8.290 nan 0.000 0.547 128 S N 0.555 116.126 115.700 -0.214 0.000 2.368 128 S HA -0.018 4.451 4.470 -0.002 0.000 0.224 128 S C 1.958 176.456 174.600 -0.169 0.000 1.029 128 S CA 0.781 58.860 58.200 -0.201 0.000 0.988 128 S CB -0.352 62.697 63.200 -0.252 0.000 0.838 128 S HN 0.310 nan 8.310 nan 0.000 0.462 129 F N 1.132 121.051 119.950 -0.052 0.000 2.171 129 F HA -0.065 4.461 4.527 -0.002 0.000 0.300 129 F C 2.314 178.116 175.800 0.004 0.000 1.090 129 F CA 1.327 59.331 58.000 0.007 0.000 1.293 129 F CB -0.733 38.290 39.000 0.038 0.000 1.013 129 F HN 0.373 nan 8.300 nan 0.000 0.486 130 H N -0.486 118.557 119.070 -0.044 0.000 2.353 130 H HA -0.159 4.395 4.556 -0.002 0.000 0.300 130 H C 2.450 177.744 175.328 -0.056 0.000 1.090 130 H CA 0.933 56.925 56.048 -0.094 0.000 1.327 130 H CB -0.090 29.566 29.762 -0.176 0.000 1.383 130 H HN 0.144 nan 8.280 nan 0.000 0.508 131 L N 1.106 122.306 121.223 -0.038 0.000 2.012 131 L HA -0.202 4.137 4.340 -0.002 0.000 0.210 131 L C 2.213 179.059 176.870 -0.041 0.000 1.073 131 L CA 1.510 56.298 54.840 -0.088 0.000 0.748 131 L CB -0.861 41.133 42.059 -0.109 0.000 0.891 131 L HN 0.436 nan 8.230 nan 0.000 0.431 132 L N -0.326 120.890 121.223 -0.011 0.000 2.046 132 L HA -0.250 4.089 4.340 -0.002 0.000 0.208 132 L C 2.837 179.764 176.870 0.095 0.000 1.077 132 L CA 1.590 56.440 54.840 0.016 0.000 0.747 132 L CB -0.605 41.490 42.059 0.060 0.000 0.896 132 L HN 0.317 nan 8.230 nan 0.000 0.432 133 R N 0.567 121.164 120.500 0.163 0.000 2.105 133 R HA -0.184 4.155 4.340 -0.002 0.000 0.239 133 R C 2.296 178.683 176.300 0.145 0.000 1.135 133 R CA 1.372 57.574 56.100 0.169 0.000 0.967 133 R CB -0.239 30.163 30.300 0.170 0.000 0.861 133 R HN 0.317 nan 8.270 nan 0.000 0.442 134 L N 0.246 121.544 121.223 0.125 0.000 2.046 134 L HA -0.192 4.147 4.340 -0.002 0.000 0.208 134 L C 2.409 179.364 176.870 0.142 0.000 1.077 134 L CA 1.340 56.248 54.840 0.114 0.000 0.747 134 L CB -0.319 41.764 42.059 0.040 0.000 0.896 134 L HN 0.273 nan 8.230 nan 0.000 0.432 135 I N -0.883 119.672 120.570 -0.025 0.000 2.353 135 I HA -0.264 3.905 4.170 -0.002 0.000 0.248 135 I C 2.546 178.643 176.117 -0.035 0.000 1.119 135 I CA 1.054 62.216 61.300 -0.230 0.000 1.417 135 I CB -0.260 37.448 38.000 -0.487 0.000 1.078 135 I HN 0.309 nan 8.210 nan 0.000 0.421 136 Q N 0.176 120.000 119.800 0.040 0.000 2.170 136 Q HA -0.186 4.153 4.340 -0.002 0.000 0.203 136 Q C 1.820 177.878 176.000 0.097 0.000 0.976 136 Q CA 2.055 57.904 55.803 0.076 0.000 0.858 136 Q CB -0.111 28.689 28.738 0.103 0.000 0.907 136 Q HN 0.607 nan 8.270 nan 0.000 0.433 137 T N -3.248 111.404 114.554 0.163 0.000 3.122 137 T HA 0.125 4.474 4.350 -0.002 0.000 0.250 137 T C 0.085 174.909 174.700 0.207 0.000 1.067 137 T CA -0.260 61.967 62.100 0.211 0.000 0.966 137 T CB 0.356 69.424 68.868 0.333 0.000 1.002 137 T HN 0.207 nan 8.240 nan 0.000 0.542 138 Q N 0.350 120.283 119.800 0.222 0.000 2.487 138 Q HA -0.176 4.163 4.340 -0.002 0.000 0.279 138 Q C -0.962 175.117 176.000 0.132 0.000 1.228 138 Q CA 0.399 56.336 55.803 0.222 0.000 0.873 138 Q CB -2.165 26.630 28.738 0.094 0.000 1.260 138 Q HN 0.772 nan 8.270 nan 0.000 0.471 139 H N -0.557 118.635 119.070 0.204 0.000 2.525 139 H HA 0.560 5.115 4.556 -0.002 0.000 0.339 139 H C 0.395 175.839 175.328 0.194 0.000 1.109 139 H CA 0.441 56.583 56.048 0.157 0.000 1.352 139 H CB 1.075 30.914 29.762 0.129 0.000 1.461 139 H HN 0.393 nan 8.280 nan 0.000 0.533 140 A N 2.725 125.668 122.820 0.205 0.000 2.425 140 A HA 0.104 4.423 4.320 -0.002 0.000 0.249 140 A C 0.473 178.159 177.584 0.171 0.000 1.084 140 A CA -0.287 51.825 52.037 0.126 0.000 0.781 140 A CB 0.255 19.282 19.000 0.046 0.000 1.019 140 A HN 0.630 nan 8.150 nan 0.000 0.490 141 L N 0.563 121.888 121.223 0.169 0.000 2.416 141 L HA 0.176 4.515 4.340 -0.002 0.000 0.216 141 L C 1.051 177.980 176.870 0.099 0.000 1.098 141 L CA 0.798 55.729 54.840 0.151 0.000 0.840 141 L CB -0.892 41.285 42.059 0.197 0.000 0.981 141 L HN 0.820 nan 8.230 nan 0.000 0.462 142 E N 1.140 121.384 120.200 0.074 0.000 2.480 142 E HA -0.028 4.321 4.350 -0.002 0.000 0.258 142 E C 0.504 177.139 176.600 0.058 0.000 0.984 142 E CA 0.329 56.765 56.400 0.060 0.000 0.930 142 E CB 0.135 29.857 29.700 0.037 0.000 0.936 142 E HN -0.013 nan 8.360 nan 0.000 0.466 143 K N 1.698 122.133 120.400 0.058 0.000 3.274 143 K HA -0.237 4.082 4.320 -0.002 0.000 0.300 143 K C -0.073 176.557 176.600 0.049 0.000 1.230 143 K CA 0.435 56.752 56.287 0.050 0.000 0.884 143 K CB -2.161 30.364 32.500 0.043 0.000 1.242 143 K HN 0.540 nan 8.250 nan 0.000 0.467 144 L N 1.262 122.518 121.223 0.054 0.000 2.540 144 L HA 0.136 4.475 4.340 -0.002 0.000 0.276 144 L C 0.200 177.092 176.870 0.037 0.000 1.212 144 L CA 1.052 55.920 54.840 0.046 0.000 0.893 144 L CB 0.745 42.830 42.059 0.043 0.000 1.138 144 L HN 0.218 nan 8.230 nan 0.000 0.491 145 S N 5.867 121.587 115.700 0.033 0.000 2.446 145 S HA 0.630 5.099 4.470 -0.002 0.000 0.230 145 S C -1.365 173.254 174.600 0.032 0.000 1.051 145 S CA -0.672 57.547 58.200 0.031 0.000 1.113 145 S CB -0.072 63.146 63.200 0.029 0.000 1.184 145 S HN 0.803 nan 8.310 nan 0.000 0.435 146 L N 2.021 123.266 121.223 0.036 0.000 2.466 146 L HA 1.031 5.369 4.340 -0.002 0.000 0.258 146 L C -0.631 176.271 176.870 0.052 0.000 0.973 146 L CA -0.522 54.343 54.840 0.043 0.000 0.826 146 L CB 1.752 43.839 42.059 0.047 0.000 1.372 146 L HN 0.418 nan 8.230 nan 0.000 0.409 147 S N 0.647 116.360 115.700 0.021 0.000 2.568 147 S HA 0.939 5.408 4.470 -0.002 0.000 0.293 147 S C -0.630 173.909 174.600 -0.102 0.000 1.089 147 S CA -0.364 57.810 58.200 -0.044 0.000 0.945 147 S CB 1.740 64.921 63.200 -0.032 0.000 1.077 147 S HN 1.203 nan 8.310 nan 0.000 0.485 148 S N 0.088 115.604 115.700 -0.307 0.000 2.533 148 S HA 0.777 5.246 4.470 -0.002 0.000 0.271 148 S C -1.278 173.216 174.600 -0.176 0.000 1.143 148 S CA -0.251 57.844 58.200 -0.175 0.000 0.891 148 S CB 1.242 64.436 63.200 -0.011 0.000 1.105 148 S HN 1.670 nan 8.310 nan 0.000 0.468 149 A N 4.397 127.147 122.820 -0.116 0.000 2.435 149 A HA 0.931 5.250 4.320 -0.002 0.000 0.304 149 A C -3.045 174.122 177.584 -0.696 0.000 1.064 149 A CA -1.782 50.095 52.037 -0.267 0.000 0.727 149 A CB 1.237 20.117 19.000 -0.200 0.000 1.284 149 A HN 0.558 nan 8.150 nan 0.000 0.415 150 P HA 0.298 nan 4.420 nan 0.000 0.275 150 P C -0.016 176.863 177.300 -0.703 0.000 1.228 150 P CA -0.186 61.985 63.100 -1.548 0.000 0.786 150 P CB 0.758 31.568 31.700 -1.482 0.000 0.927 151 R N 1.004 121.192 120.500 -0.521 0.000 2.280 151 R HA 0.259 4.598 4.340 -0.002 0.000 0.195 151 R C 0.396 176.599 176.300 -0.162 0.000 0.935 151 R CA 0.274 56.216 56.100 -0.263 0.000 1.033 151 R CB -0.078 30.108 30.300 -0.190 0.000 0.964 151 R HN 0.424 nan 8.270 nan 0.000 0.489 152 L N -0.153 120.949 121.223 -0.201 0.000 2.381 152 L HA 0.280 4.619 4.340 -0.002 0.000 0.268 152 L C 0.989 177.768 176.870 -0.153 0.000 0.997 152 L CA -0.586 54.177 54.840 -0.128 0.000 0.818 152 L CB 2.246 44.247 42.059 -0.097 0.000 1.310 152 L HN -0.106 nan 8.230 nan 0.000 0.416 153 Q N 0.544 120.277 119.800 -0.113 0.000 2.062 153 Q HA -0.024 4.315 4.340 -0.002 0.000 0.196 153 Q C -0.225 175.619 176.000 -0.261 0.000 0.967 153 Q CA 1.170 56.852 55.803 -0.202 0.000 0.832 153 Q CB 0.290 28.892 28.738 -0.228 0.000 0.899 153 Q HN 0.619 nan 8.270 nan 0.000 0.442 154 H N 0.256 119.362 119.070 0.060 0.000 2.623 154 H HA 0.360 4.915 4.556 -0.002 0.000 0.299 154 H C -1.017 174.299 175.328 -0.020 0.000 1.052 154 H CA -0.380 55.711 56.048 0.072 0.000 1.231 154 H CB 0.779 30.602 29.762 0.103 0.000 1.389 154 H HN 0.016 nan 8.280 nan 0.000 0.469 155 R N 3.047 123.606 120.500 0.098 0.000 2.312 155 R HA 0.368 4.707 4.340 -0.002 0.000 0.310 155 R C -1.019 175.349 176.300 0.114 0.000 1.064 155 R CA -0.612 55.514 56.100 0.042 0.000 0.983 155 R CB 1.620 31.916 30.300 -0.007 0.000 1.139 155 R HN 0.319 nan 8.270 nan 0.000 0.536 156 V N 3.191 123.169 119.914 0.107 0.000 2.919 156 V HA 0.656 4.775 4.120 -0.002 0.000 0.316 156 V C -0.325 175.832 176.094 0.104 0.000 1.077 156 V CA -0.745 61.606 62.300 0.086 0.000 0.977 156 V CB 2.296 34.062 31.823 -0.095 0.000 1.039 156 V HN 0.424 nan 8.190 nan 0.000 0.441 157 V N 2.861 122.798 119.914 0.039 0.000 2.881 157 V HA 0.770 4.889 4.120 -0.002 0.000 0.316 157 V C -0.630 175.401 176.094 -0.104 0.000 1.070 157 V CA -0.797 61.403 62.300 -0.167 0.000 0.976 157 V CB 1.893 33.591 31.823 -0.209 0.000 1.038 157 V HN 0.892 nan 8.190 nan 0.000 0.446 158 N N 0.911 119.441 118.700 -0.285 0.000 2.269 158 N HA 0.540 5.279 4.740 -0.002 0.000 0.304 158 N C -1.173 174.135 175.510 -0.336 0.000 1.072 158 N CA -0.477 52.485 53.050 -0.146 0.000 0.802 158 N CB 1.318 39.726 38.487 -0.131 0.000 1.348 158 N HN 0.858 nan 8.380 nan 0.000 0.484 159 H N 0.811 119.889 119.070 0.013 0.000 2.646 159 H HA 0.188 4.743 4.556 -0.002 0.000 0.328 159 H C -0.328 175.117 175.328 0.196 0.000 0.998 159 H CA -0.422 55.644 56.048 0.030 0.000 1.225 159 H CB 1.362 31.264 29.762 0.233 0.000 1.457 159 H HN 0.470 nan 8.280 nan 0.000 0.505 160 W N 3.343 124.645 121.300 0.003 0.000 1.496 160 W HA 0.132 4.791 4.660 -0.003 0.000 0.422 160 W C -0.493 175.989 176.519 -0.061 0.000 0.638 160 W CA -0.899 56.410 57.345 -0.061 0.000 2.105 160 W CB -0.955 28.391 29.460 -0.189 0.000 1.639 160 W HN 0.458 nan 8.180 nan 0.000 0.304 161 D N 1.004 121.569 120.400 0.276 0.000 2.225 161 D HA 0.099 4.738 4.640 -0.002 0.000 0.248 161 D C 0.453 176.871 176.300 0.196 0.000 1.096 161 D CA -0.077 54.054 54.000 0.218 0.000 0.863 161 D CB 0.841 41.832 40.800 0.318 0.000 1.156 161 D HN -0.084 nan 8.370 nan 0.000 0.450 162 N N 1.256 120.039 118.700 0.139 0.000 2.493 162 N HA 0.204 4.943 4.740 -0.002 0.000 0.275 162 N C 1.235 176.858 175.510 0.189 0.000 1.186 162 N CA -0.452 52.671 53.050 0.122 0.000 0.978 162 N CB 1.143 39.694 38.487 0.108 0.000 1.184 162 N HN 0.308 nan 8.380 nan 0.000 0.487 163 L N 0.765 122.038 121.223 0.084 0.000 2.275 163 L HA -0.123 4.216 4.340 -0.002 0.000 0.215 163 L C 1.614 178.620 176.870 0.226 0.000 1.119 163 L CA 0.678 55.554 54.840 0.060 0.000 0.790 163 L CB -0.414 41.420 42.059 -0.374 0.000 0.919 163 L HN 0.559 nan 8.230 nan 0.000 0.443 164 N N 1.000 119.801 118.700 0.169 0.000 2.550 164 N HA -0.190 4.549 4.740 -0.002 0.000 0.186 164 N C 0.711 176.345 175.510 0.208 0.000 1.110 164 N CA 0.393 53.552 53.050 0.181 0.000 0.912 164 N CB -0.076 38.484 38.487 0.122 0.000 0.968 164 N HN 0.279 nan 8.380 nan 0.000 0.448 165 R N -2.434 118.212 120.500 0.244 0.000 3.804 165 R HA -0.090 4.249 4.340 -0.002 0.000 0.459 165 R C -0.961 175.404 176.300 0.109 0.000 1.009 165 R CA 0.662 56.875 56.100 0.189 0.000 1.210 165 R CB -2.298 28.094 30.300 0.153 0.000 1.860 165 R HN 0.090 nan 8.270 nan 0.000 0.526 166 V N 2.016 122.006 119.914 0.127 0.000 2.498 166 V HA 0.247 4.366 4.120 -0.002 0.000 0.279 166 V C 0.851 176.994 176.094 0.081 0.000 1.048 166 V CA -0.311 62.060 62.300 0.119 0.000 0.967 166 V CB 1.745 33.680 31.823 0.187 0.000 0.988 166 V HN -0.021 nan 8.190 nan 0.000 0.473 167 V N 4.601 124.519 119.914 0.007 0.000 2.407 167 V HA 0.252 4.371 4.120 -0.002 0.000 0.278 167 V C 0.358 176.294 176.094 -0.263 0.000 1.037 167 V CA -0.551 61.695 62.300 -0.090 0.000 0.900 167 V CB 1.350 33.102 31.823 -0.119 0.000 0.983 167 V HN 0.979 nan 8.190 nan 0.000 0.459 168 E N 6.031 125.947 120.200 -0.473 0.000 2.257 168 E HA 0.201 4.550 4.350 -0.002 0.000 0.278 168 E C -0.105 176.171 176.600 -0.539 0.000 1.049 168 E CA -0.539 55.210 56.400 -1.086 0.000 0.876 168 E CB 0.191 29.107 29.700 -1.308 0.000 1.035 168 E HN 0.516 nan 8.360 nan 0.000 0.419 169 R N 1.898 122.061 120.500 -0.562 0.000 3.261 169 R HA -0.131 4.208 4.340 -0.002 0.000 0.257 169 R C -0.604 175.103 176.300 -0.987 0.000 1.014 169 R CA 0.893 56.667 56.100 -0.542 0.000 0.681 169 R CB -2.515 27.747 30.300 -0.064 0.000 1.155 169 R HN 0.620 nan 8.270 nan 0.000 0.424 170 G N 0.219 108.349 108.800 -1.115 0.000 2.660 170 G HA2 0.549 4.508 3.960 -0.002 0.000 0.305 170 G HA3 0.549 4.508 3.960 -0.002 0.000 0.305 170 G C -0.212 174.209 174.900 -0.799 0.000 1.329 170 G CA -0.557 44.059 45.100 -0.807 0.000 1.000 170 G HN 0.208 nan 8.290 nan 0.000 0.514 171 Y N 1.312 121.558 120.300 -0.090 0.000 2.660 171 Y HA 0.458 5.006 4.550 -0.002 0.000 0.254 171 Y C 1.510 177.439 175.900 0.048 0.000 1.176 171 Y CA -0.279 57.801 58.100 -0.033 0.000 1.195 171 Y CB 1.039 39.487 38.460 -0.018 0.000 1.190 171 Y HN 0.633 nan 8.280 nan 0.000 0.535 172 A N -0.375 122.490 122.820 0.076 0.000 2.610 172 A HA 0.693 5.012 4.320 -0.002 0.000 0.291 172 A C 1.079 178.692 177.584 0.048 0.000 1.116 172 A CA 0.243 52.343 52.037 0.105 0.000 0.963 172 A CB -0.368 18.709 19.000 0.128 0.000 1.220 172 A HN 0.500 nan 8.150 nan 0.000 0.530 173 G N -0.737 108.075 108.800 0.021 0.000 2.466 173 G HA2 -0.001 3.958 3.960 -0.002 0.000 0.316 173 G HA3 -0.001 3.958 3.960 -0.002 0.000 0.316 173 G C -0.523 174.357 174.900 -0.033 0.000 1.270 173 G CA -0.584 44.514 45.100 -0.003 0.000 0.982 173 G HN 0.560 nan 8.290 nan 0.000 0.506 174 L N 0.421 121.619 121.223 -0.042 0.000 2.466 174 L HA 0.520 4.859 4.340 -0.002 0.000 0.257 174 L C 1.711 178.508 176.870 -0.122 0.000 1.189 174 L CA 0.076 54.886 54.840 -0.050 0.000 0.813 174 L CB 1.158 43.199 42.059 -0.030 0.000 1.118 174 L HN 0.815 nan 8.230 nan 0.000 0.471 175 S N 0.409 116.030 115.700 -0.133 0.000 2.558 175 S HA 0.025 4.494 4.470 -0.002 0.000 0.293 175 S C 1.157 175.469 174.600 -0.479 0.000 1.292 175 S CA -0.393 57.626 58.200 -0.303 0.000 1.063 175 S CB 0.291 63.398 63.200 -0.154 0.000 0.831 175 S HN 0.505 nan 8.310 nan 0.000 0.499 176 L N 3.522 124.222 121.223 -0.872 0.000 2.191 176 L HA -0.006 4.333 4.340 -0.002 0.000 0.212 176 L C 0.497 177.077 176.870 -0.483 0.000 1.103 176 L CA 0.567 54.936 54.840 -0.784 0.000 0.769 176 L CB -0.216 41.171 42.059 -1.120 0.000 0.908 176 L HN 0.711 nan 8.230 nan 0.000 0.438 177 W N 0.069 121.206 121.300 -0.272 0.000 2.481 177 W HA 0.174 4.834 4.660 -0.001 0.000 0.320 177 W C 0.101 176.190 176.519 -0.716 0.000 1.209 177 W CA -1.085 55.868 57.345 -0.653 0.000 1.400 177 W CB -0.067 28.652 29.460 -1.235 0.000 1.361 177 W HN -0.119 nan 8.180 nan 0.000 0.456 178 D N 3.340 123.666 120.400 -0.123 0.000 2.558 178 D HA 0.077 4.716 4.640 -0.002 0.000 0.221 178 D C 0.615 176.932 176.300 0.028 0.000 1.143 178 D CA -0.423 53.565 54.000 -0.020 0.000 1.010 178 D CB -0.070 40.804 40.800 0.123 0.000 1.068 178 D HN 0.388 nan 8.370 nan 0.000 0.511 179 W N 1.886 123.314 121.300 0.214 0.000 2.331 179 W HA -0.072 4.586 4.660 -0.003 0.000 0.291 179 W C 2.451 179.003 176.519 0.055 0.000 1.214 179 W CA 0.559 57.989 57.345 0.140 0.000 1.228 179 W CB -0.274 29.335 29.460 0.249 0.000 1.135 179 W HN 0.425 nan 8.180 nan 0.000 0.537 180 G N 0.036 108.998 108.800 0.269 0.000 2.450 180 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.220 180 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.220 180 G C 1.444 176.418 174.900 0.124 0.000 1.130 180 G CA 1.480 46.677 45.100 0.161 0.000 0.760 180 G HN 0.345 nan 8.290 nan 0.000 0.557 181 S N -0.911 114.881 115.700 0.153 0.000 2.524 181 S HA 0.411 4.880 4.470 -0.002 0.000 0.215 181 S C 0.709 175.419 174.600 0.183 0.000 0.986 181 S CA -0.537 57.763 58.200 0.166 0.000 0.911 181 S CB 0.095 63.432 63.200 0.229 0.000 0.805 181 S HN 0.144 nan 8.310 nan 0.000 0.501 182 L N 2.459 123.777 121.223 0.159 0.000 2.375 182 L HA 0.385 4.724 4.340 -0.002 0.000 0.271 182 L C -1.495 175.414 176.870 0.065 0.000 1.107 182 L CA -2.100 52.811 54.840 0.119 0.000 0.806 182 L CB 1.180 43.307 42.059 0.113 0.000 1.146 182 L HN -0.009 nan 8.230 nan 0.000 0.447 183 P HA 0.057 nan 4.420 nan 0.000 0.255 183 P C 0.330 177.675 177.300 0.075 0.000 1.248 183 P CA 0.407 63.529 63.100 0.038 0.000 0.807 183 P CB 0.207 31.912 31.700 0.008 0.000 1.150 184 N N -0.314 118.444 118.700 0.097 0.000 2.104 184 N HA -0.180 4.559 4.740 -0.002 0.000 0.190 184 N C 0.401 176.033 175.510 0.203 0.000 1.024 184 N CA 1.002 54.125 53.050 0.121 0.000 0.853 184 N CB -0.917 37.631 38.487 0.102 0.000 1.008 184 N HN 0.184 nan 8.380 nan 0.000 0.424 185 Y N 1.720 122.065 120.300 0.075 0.000 2.454 185 Y HA 0.348 4.898 4.550 0.000 0.000 0.345 185 Y C -0.731 175.260 175.900 0.152 0.000 0.970 185 Y CA -1.419 56.732 58.100 0.085 0.000 1.204 185 Y CB 0.057 38.553 38.460 0.059 0.000 1.122 185 Y HN -0.041 nan 8.280 nan 0.000 0.514 186 L N 7.274 128.452 121.223 -0.074 0.000 2.387 186 L HA 0.419 4.758 4.340 -0.002 0.000 0.267 186 L C 0.731 177.337 176.870 -0.440 0.000 1.197 186 L CA -0.640 54.146 54.840 -0.090 0.000 1.070 186 L CB -0.400 41.687 42.059 0.047 0.000 1.349 186 L HN 0.731 nan 8.230 nan 0.000 0.422 187 A N 3.870 126.127 122.820 -0.938 0.000 2.540 187 A HA 0.234 4.553 4.320 -0.002 0.000 0.239 187 A C -1.237 176.067 177.584 -0.466 0.000 1.061 187 A CA -0.868 50.494 52.037 -1.125 0.000 0.758 187 A CB 0.110 18.289 19.000 -1.367 0.000 0.991 187 A HN 0.459 nan 8.150 nan 0.000 0.502 188 P HA -0.178 nan 4.420 nan 0.000 0.216 188 P C 1.616 178.962 177.300 0.076 0.000 1.150 188 P CA 1.300 64.402 63.100 0.003 0.000 0.843 188 P CB 0.060 31.790 31.700 0.050 0.000 0.787 189 R N -1.345 119.145 120.500 -0.017 0.000 2.127 189 R HA -0.191 4.148 4.340 -0.002 0.000 0.238 189 R C 2.017 178.527 176.300 0.351 0.000 1.134 189 R CA 1.339 57.539 56.100 0.167 0.000 0.975 189 R CB -0.570 29.725 30.300 -0.008 0.000 0.865 189 R HN 0.168 nan 8.270 nan 0.000 0.447 190 Y N -0.186 120.290 120.300 0.293 0.000 2.181 190 Y HA -0.155 4.395 4.550 -0.001 0.000 0.288 190 Y C 2.497 178.702 175.900 0.508 0.000 1.146 190 Y CA 1.426 59.793 58.100 0.445 0.000 1.164 190 Y CB -0.973 37.644 38.460 0.261 0.000 0.982 190 Y HN 0.030 nan 8.280 nan 0.000 0.515 191 T N -0.242 114.591 114.554 0.466 0.000 2.777 191 T HA -0.139 4.210 4.350 -0.002 0.000 0.266 191 T C 1.399 176.186 174.700 0.145 0.000 1.040 191 T CA 1.517 63.808 62.100 0.318 0.000 1.141 191 T CB -0.309 68.729 68.868 0.283 0.000 0.868 191 T HN 0.294 nan 8.240 nan 0.000 0.444 192 D N 0.228 120.766 120.400 0.229 0.000 2.144 192 D HA -0.084 4.555 4.640 -0.002 0.000 0.199 192 D C 1.694 177.981 176.300 -0.022 0.000 0.984 192 D CA 0.918 54.989 54.000 0.118 0.000 0.834 192 D CB -0.409 40.550 40.800 0.265 0.000 0.955 192 D HN 0.464 nan 8.370 nan 0.000 0.465 193 Y N 1.732 122.110 120.300 0.130 0.000 2.165 193 Y HA -0.232 4.317 4.550 -0.001 0.000 0.286 193 Y C 2.264 178.092 175.900 -0.120 0.000 1.155 193 Y CA 1.972 60.089 58.100 0.028 0.000 1.164 193 Y CB -0.313 38.413 38.460 0.442 0.000 0.978 193 Y HN -0.050 nan 8.280 nan 0.000 0.513 194 A N 0.614 123.396 122.820 -0.063 0.000 1.933 194 A HA -0.176 4.143 4.320 -0.002 0.000 0.218 194 A C 2.285 179.558 177.584 -0.518 0.000 1.175 194 A CA 1.770 53.635 52.037 -0.287 0.000 0.628 194 A CB -0.609 18.369 19.000 -0.035 0.000 0.814 194 A HN 0.565 nan 8.150 nan 0.000 0.444 195 R N -0.612 119.520 120.500 -0.615 0.000 2.066 195 R HA -0.024 4.315 4.340 -0.002 0.000 0.232 195 R C 2.023 178.070 176.300 -0.422 0.000 1.131 195 R CA 1.547 57.380 56.100 -0.445 0.000 0.955 195 R CB -0.510 29.654 30.300 -0.227 0.000 0.851 195 R HN 0.554 nan 8.270 nan 0.000 0.432 196 I N 1.309 121.546 120.570 -0.555 0.000 2.118 196 I HA -0.353 3.816 4.170 -0.002 0.000 0.241 196 I C 1.957 177.815 176.117 -0.432 0.000 1.070 196 I CA 1.341 62.215 61.300 -0.712 0.000 1.327 196 I CB -0.342 36.991 38.000 -1.112 0.000 1.034 196 I HN 0.232 nan 8.210 nan 0.000 0.405 197 N N 0.742 119.213 118.700 -0.381 0.000 2.171 197 N HA -0.085 4.654 4.740 -0.002 0.000 0.184 197 N C 1.877 177.309 175.510 -0.130 0.000 1.021 197 N CA 1.511 54.465 53.050 -0.160 0.000 0.854 197 N CB -0.251 38.119 38.487 -0.194 0.000 0.994 197 N HN 0.345 nan 8.380 nan 0.000 0.426 198 A N 1.044 123.776 122.820 -0.145 0.000 2.015 198 A HA -0.116 4.203 4.320 -0.002 0.000 0.219 198 A C 2.325 179.676 177.584 -0.388 0.000 1.163 198 A CA 1.740 53.785 52.037 0.013 0.000 0.646 198 A CB -0.629 18.561 19.000 0.317 0.000 0.806 198 A HN 0.437 nan 8.150 nan 0.000 0.448 199 S N -0.404 114.737 115.700 -0.931 0.000 2.469 199 S HA -0.007 4.462 4.470 -0.002 0.000 0.238 199 S C 1.402 175.701 174.600 -0.501 0.000 0.998 199 S CA 1.352 58.809 58.200 -1.238 0.000 0.957 199 S CB -0.440 62.293 63.200 -0.778 0.000 0.764 199 S HN 0.476 nan 8.310 nan 0.000 0.514 200 L N 0.157 121.157 121.223 -0.371 0.000 2.693 200 L HA 0.410 4.749 4.340 -0.002 0.000 0.235 200 L C 1.721 178.359 176.870 -0.388 0.000 1.127 200 L CA 0.261 54.859 54.840 -0.404 0.000 0.914 200 L CB -0.215 41.658 42.059 -0.309 0.000 1.193 200 L HN 0.536 nan 8.230 nan 0.000 0.502 201 G N 0.861 109.441 108.800 -0.368 0.000 2.141 201 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.242 201 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.242 201 G C 0.251 175.069 174.900 -0.136 0.000 0.982 201 G CA -0.465 44.327 45.100 -0.513 0.000 0.662 201 G HN 0.130 nan 8.290 nan 0.000 0.527 202 I N 1.909 122.468 120.570 -0.019 0.000 2.598 202 I HA 0.124 4.293 4.170 -0.002 0.000 0.284 202 I C 0.998 177.221 176.117 0.177 0.000 1.140 202 I CA 0.371 61.723 61.300 0.086 0.000 1.420 202 I CB 0.796 38.868 38.000 0.121 0.000 1.387 202 I HN 0.437 nan 8.210 nan 0.000 0.553 203 N N 3.987 122.818 118.700 0.217 0.000 2.238 203 N HA 0.272 5.011 4.740 -0.002 0.000 0.235 203 N C -0.091 175.624 175.510 0.342 0.000 1.209 203 N CA -0.341 52.891 53.050 0.302 0.000 0.879 203 N CB 1.052 39.733 38.487 0.322 0.000 1.136 203 N HN 0.591 nan 8.380 nan 0.000 0.517 204 G N -1.375 107.619 108.800 0.323 0.000 2.732 204 G HA2 0.498 4.457 3.960 -0.002 0.000 0.296 204 G HA3 0.498 4.457 3.960 -0.002 0.000 0.296 204 G C -1.965 173.136 174.900 0.335 0.000 1.448 204 G CA -0.536 44.832 45.100 0.448 0.000 0.911 204 G HN 0.081 nan 8.290 nan 0.000 0.528 205 T N -0.312 114.504 114.554 0.437 0.000 2.971 205 T HA 0.535 4.884 4.350 -0.002 0.000 0.304 205 T C -1.096 173.859 174.700 0.425 0.000 1.038 205 T CA -0.329 62.000 62.100 0.382 0.000 1.007 205 T CB 1.590 70.695 68.868 0.396 0.000 1.055 205 T HN 0.698 nan 8.240 nan 0.000 0.451 206 V N 7.772 127.902 119.914 0.359 0.000 2.333 206 V HA 0.340 4.459 4.120 -0.002 0.000 0.274 206 V C 1.521 177.854 176.094 0.398 0.000 1.028 206 V CA -0.522 61.993 62.300 0.358 0.000 0.851 206 V CB 0.737 32.740 31.823 0.301 0.000 1.000 206 V HN 0.902 nan 8.190 nan 0.000 0.456 207 I N 1.680 122.437 120.570 0.312 0.000 3.728 207 I HA 0.255 4.424 4.170 -0.002 0.000 0.307 207 I C 0.624 176.998 176.117 0.428 0.000 1.276 207 I CA 0.217 61.679 61.300 0.270 0.000 1.285 207 I CB 0.002 37.870 38.000 -0.220 0.000 1.038 207 I HN 0.676 nan 8.210 nan 0.000 0.445 208 N N 1.246 120.160 118.700 0.357 0.000 2.262 208 N HA 0.185 4.924 4.740 -0.002 0.000 0.295 208 N C -1.021 174.650 175.510 0.268 0.000 1.161 208 N CA -0.710 52.528 53.050 0.315 0.000 0.767 208 N CB 0.765 39.379 38.487 0.212 0.000 1.499 208 N HN -0.055 nan 8.380 nan 0.000 0.476 209 N N 0.297 119.122 118.700 0.209 0.000 2.356 209 N HA -0.068 4.671 4.740 -0.002 0.000 0.252 209 N C 1.603 177.132 175.510 0.031 0.000 1.241 209 N CA 0.029 53.150 53.050 0.118 0.000 0.861 209 N CB 0.810 39.304 38.487 0.012 0.000 1.075 209 N HN 0.499 nan 8.380 nan 0.000 0.461 210 V N 0.864 120.734 119.914 -0.074 0.000 2.490 210 V HA -0.100 4.019 4.120 -0.002 0.000 0.250 210 V C 0.611 176.631 176.094 -0.123 0.000 1.061 210 V CA 1.145 63.381 62.300 -0.108 0.000 1.064 210 V CB -0.520 31.183 31.823 -0.199 0.000 0.670 210 V HN 0.518 nan 8.190 nan 0.000 0.461 211 N N 2.573 121.171 118.700 -0.170 0.000 2.739 211 N HA 0.512 5.250 4.740 -0.002 0.000 0.266 211 N C 0.050 175.532 175.510 -0.046 0.000 1.168 211 N CA 0.711 53.705 53.050 -0.094 0.000 1.055 211 N CB 0.794 39.221 38.487 -0.100 0.000 1.393 211 N HN 0.697 nan 8.380 nan 0.000 0.514 212 A N 1.065 123.871 122.820 -0.023 0.000 2.354 212 A HA 0.180 4.499 4.320 -0.002 0.000 0.269 212 A C 0.192 177.767 177.584 -0.014 0.000 1.109 212 A CA -0.524 51.508 52.037 -0.007 0.000 0.800 212 A CB 0.619 19.627 19.000 0.013 0.000 1.045 212 A HN 0.373 nan 8.150 nan 0.000 0.489 213 D N 2.971 123.345 120.400 -0.044 0.000 2.317 213 D HA 0.299 4.938 4.640 -0.002 0.000 0.234 213 D C -1.526 174.720 176.300 -0.091 0.000 1.112 213 D CA -1.754 52.191 54.000 -0.092 0.000 0.840 213 D CB 1.523 42.226 40.800 -0.163 0.000 1.078 213 D HN 0.233 nan 8.370 nan 0.000 0.486 214 P HA -0.103 nan 4.420 nan 0.000 0.222 214 P C 1.104 178.412 177.300 0.014 0.000 1.147 214 P CA 0.525 63.649 63.100 0.040 0.000 0.790 214 P CB 0.468 32.183 31.700 0.024 0.000 0.780 215 R N 0.322 120.703 120.500 -0.199 0.000 2.159 215 R HA -0.079 4.260 4.340 -0.002 0.000 0.237 215 R C 2.264 178.412 176.300 -0.252 0.000 1.131 215 R CA 1.527 57.461 56.100 -0.275 0.000 0.982 215 R CB -1.042 28.953 30.300 -0.509 0.000 0.868 215 R HN 0.227 nan 8.270 nan 0.000 0.453 216 V N -1.336 118.400 119.914 -0.296 0.000 2.720 216 V HA -0.136 3.983 4.120 -0.002 0.000 0.256 216 V C 1.670 177.754 176.094 -0.017 0.000 1.082 216 V CA 1.579 63.750 62.300 -0.215 0.000 1.101 216 V CB -0.547 31.177 31.823 -0.166 0.000 0.693 216 V HN 0.230 nan 8.190 nan 0.000 0.479 217 L N 1.609 122.883 121.223 0.086 0.000 2.592 217 L HA 0.217 4.556 4.340 -0.002 0.000 0.227 217 L C 1.398 178.340 176.870 0.121 0.000 1.127 217 L CA 0.442 55.321 54.840 0.064 0.000 0.884 217 L CB -0.257 41.815 42.059 0.023 0.000 1.065 217 L HN 0.553 nan 8.230 nan 0.000 0.457 218 S N -1.931 113.955 115.700 0.311 0.000 2.617 218 S HA 0.031 4.500 4.470 -0.002 0.000 0.269 218 S C 0.743 175.405 174.600 0.104 0.000 1.292 218 S CA -0.548 57.846 58.200 0.324 0.000 1.010 218 S CB 1.738 65.121 63.200 0.305 0.000 0.944 218 S HN 0.181 nan 8.310 nan 0.000 0.536 219 D N 0.662 121.105 120.400 0.072 0.000 2.116 219 D HA -0.249 4.390 4.640 -0.002 0.000 0.193 219 D C 2.020 178.261 176.300 -0.099 0.000 0.998 219 D CA 2.032 56.025 54.000 -0.011 0.000 0.836 219 D CB -0.143 40.694 40.800 0.062 0.000 0.951 219 D HN 0.774 nan 8.370 nan 0.000 0.449 220 Q N -1.104 118.671 119.800 -0.042 0.000 2.077 220 Q HA -0.223 4.116 4.340 -0.002 0.000 0.206 220 Q C 1.821 177.634 176.000 -0.311 0.000 0.989 220 Q CA 1.647 57.359 55.803 -0.151 0.000 0.853 220 Q CB -0.253 28.410 28.738 -0.126 0.000 0.907 220 Q HN 0.411 nan 8.270 nan 0.000 0.418 221 F N -0.101 119.742 119.950 -0.178 0.000 2.335 221 F HA 0.007 4.533 4.527 -0.002 0.000 0.296 221 F C 1.963 177.605 175.800 -0.262 0.000 1.091 221 F CA 0.416 58.267 58.000 -0.248 0.000 1.399 221 F CB 0.076 38.865 39.000 -0.351 0.000 1.067 221 F HN 0.052 nan 8.300 nan 0.000 0.520 222 L N -0.420 120.683 121.223 -0.200 0.000 2.083 222 L HA -0.251 4.088 4.340 -0.002 0.000 0.209 222 L C 2.323 178.815 176.870 -0.630 0.000 1.083 222 L CA 1.353 55.931 54.840 -0.436 0.000 0.752 222 L CB -0.717 40.978 42.059 -0.606 0.000 0.899 222 L HN 0.196 nan 8.230 nan 0.000 0.433 223 Q N -0.009 119.417 119.800 -0.622 0.000 2.124 223 Q HA -0.209 4.130 4.340 -0.002 0.000 0.202 223 Q C 2.190 178.077 176.000 -0.188 0.000 0.977 223 Q CA 1.388 56.946 55.803 -0.409 0.000 0.850 223 Q CB -0.004 28.604 28.738 -0.216 0.000 0.901 223 Q HN 0.505 nan 8.270 nan 0.000 0.429 224 K N 0.357 120.677 120.400 -0.134 0.000 2.062 224 K HA -0.057 4.261 4.320 -0.002 0.000 0.205 224 K C 2.011 178.636 176.600 0.042 0.000 1.051 224 K CA 0.945 57.245 56.287 0.020 0.000 0.941 224 K CB -0.039 32.574 32.500 0.189 0.000 0.719 224 K HN 0.154 nan 8.250 nan 0.000 0.440 225 I N 1.446 122.049 120.570 0.055 0.000 2.286 225 I HA -0.259 3.910 4.170 -0.002 0.000 0.248 225 I C 2.488 178.534 176.117 -0.117 0.000 1.115 225 I CA 0.944 62.251 61.300 0.011 0.000 1.392 225 I CB -0.344 37.679 38.000 0.038 0.000 1.065 225 I HN 0.146 nan 8.210 nan 0.000 0.418 226 A N 0.691 123.437 122.820 -0.123 0.000 1.972 226 A HA -0.155 4.164 4.320 -0.002 0.000 0.219 226 A C 2.529 180.049 177.584 -0.106 0.000 1.169 226 A CA 1.788 53.774 52.037 -0.085 0.000 0.635 226 A CB -0.695 18.295 19.000 -0.017 0.000 0.810 226 A HN 0.435 nan 8.150 nan 0.000 0.446 227 A N -0.197 122.546 122.820 -0.128 0.000 1.898 227 A HA 0.019 4.338 4.320 -0.002 0.000 0.216 227 A C 2.146 179.557 177.584 -0.288 0.000 1.181 227 A CA 1.349 53.302 52.037 -0.140 0.000 0.620 227 A CB -0.535 18.406 19.000 -0.097 0.000 0.819 227 A HN 0.470 nan 8.150 nan 0.000 0.442 228 L N -0.695 120.249 121.223 -0.465 0.000 1.994 228 L HA -0.210 4.129 4.340 -0.002 0.000 0.208 228 L C 3.130 179.400 176.870 -1.001 0.000 1.071 228 L CA 1.200 55.494 54.840 -0.910 0.000 0.745 228 L CB -0.693 40.748 42.059 -1.030 0.000 0.892 228 L HN 0.426 nan 8.230 nan 0.000 0.431 229 A N -0.022 122.484 122.820 -0.524 0.000 1.908 229 A HA -0.256 4.063 4.320 -0.002 0.000 0.218 229 A C 1.906 179.422 177.584 -0.113 0.000 1.181 229 A CA 2.149 54.047 52.037 -0.233 0.000 0.627 229 A CB -0.595 18.375 19.000 -0.050 0.000 0.818 229 A HN 0.393 nan 8.150 nan 0.000 0.445 230 D N 0.031 120.363 120.400 -0.113 0.000 2.117 230 D HA -0.060 4.579 4.640 -0.002 0.000 0.197 230 D C 2.171 178.488 176.300 0.029 0.000 0.987 230 D CA 1.554 55.543 54.000 -0.018 0.000 0.829 230 D CB -0.431 40.362 40.800 -0.011 0.000 0.961 230 D HN 0.452 nan 8.370 nan 0.000 0.460 231 A N 0.120 122.913 122.820 -0.044 0.000 1.969 231 A HA -0.107 4.212 4.320 -0.002 0.000 0.218 231 A C 1.745 179.577 177.584 0.413 0.000 1.169 231 A CA 0.778 52.897 52.037 0.135 0.000 0.635 231 A CB -0.549 18.508 19.000 0.095 0.000 0.810 231 A HN 0.103 nan 8.150 nan 0.000 0.445 232 F N -0.409 119.679 119.950 0.231 0.000 2.335 232 F HA 0.132 4.657 4.527 -0.002 0.000 0.296 232 F C 2.172 178.145 175.800 0.287 0.000 1.091 232 F CA 0.364 58.538 58.000 0.290 0.000 1.399 232 F CB -0.991 38.148 39.000 0.232 0.000 1.067 232 F HN 0.239 nan 8.300 nan 0.000 0.520 233 R N 0.955 121.668 120.500 0.355 0.000 2.096 233 R HA -0.175 4.164 4.340 -0.002 0.000 0.240 233 R C -0.726 175.680 176.300 0.177 0.000 1.139 233 R CA 2.058 58.297 56.100 0.232 0.000 0.952 233 R CB -1.442 28.946 30.300 0.146 0.000 0.854 233 R HN 0.119 nan 8.270 nan 0.000 0.436 234 P HA -0.115 nan 4.420 nan 0.000 0.225 234 P C 0.083 177.287 177.300 -0.160 0.000 1.148 234 P CA 1.267 64.331 63.100 -0.061 0.000 0.779 234 P CB -0.031 31.565 31.700 -0.174 0.000 0.780 235 Y N -0.902 119.505 120.300 0.179 0.000 2.461 235 Y HA 0.369 4.918 4.550 -0.001 0.000 0.277 235 Y C 1.870 177.882 175.900 0.188 0.000 1.182 235 Y CA 0.469 58.683 58.100 0.191 0.000 1.276 235 Y CB -0.547 38.046 38.460 0.223 0.000 1.087 235 Y HN 0.021 nan 8.280 nan 0.000 0.519 236 G N 0.863 109.814 108.800 0.252 0.000 2.155 236 G HA2 -0.316 3.643 3.960 -0.002 0.000 0.257 236 G HA3 -0.316 3.643 3.960 -0.002 0.000 0.257 236 G C 0.063 175.144 174.900 0.302 0.000 0.983 236 G CA 0.123 45.365 45.100 0.235 0.000 0.676 236 G HN 0.349 nan 8.290 nan 0.000 0.528 237 I N 1.067 121.834 120.570 0.328 0.000 2.304 237 I HA 0.288 4.457 4.170 -0.002 0.000 0.291 237 I C 0.741 177.054 176.117 0.326 0.000 1.018 237 I CA -0.461 61.031 61.300 0.320 0.000 1.260 237 I CB 1.039 39.194 38.000 0.258 0.000 1.390 237 I HN -0.044 nan 8.210 nan 0.000 0.475 238 K N 5.461 126.038 120.400 0.295 0.000 2.185 238 K HA 0.421 4.739 4.320 -0.002 0.000 0.271 238 K C -0.341 176.345 176.600 0.144 0.000 1.013 238 K CA -0.832 55.549 56.287 0.158 0.000 0.943 238 K CB 1.218 33.730 32.500 0.020 0.000 0.998 238 K HN 0.368 nan 8.250 nan 0.000 0.468 239 M N 2.916 122.494 119.600 -0.037 0.000 2.233 239 M HA 0.262 4.741 4.480 -0.002 0.000 0.355 239 M C -1.690 174.304 176.300 -0.510 0.000 1.191 239 M CA 0.161 55.460 55.300 -0.003 0.000 1.101 239 M CB 0.350 33.017 32.600 0.112 0.000 1.592 239 M HN 0.410 nan 8.290 nan 0.000 0.461 240 Y N 4.298 124.519 120.300 -0.132 0.000 2.545 240 Y HA 0.749 5.298 4.550 -0.002 0.000 0.348 240 Y C -1.116 174.863 175.900 0.132 0.000 1.002 240 Y CA -0.924 57.040 58.100 -0.227 0.000 1.039 240 Y CB 1.665 40.099 38.460 -0.043 0.000 1.271 240 Y HN 0.578 nan 8.280 nan 0.000 0.467 241 L N 1.116 122.619 121.223 0.468 0.000 2.388 241 L HA 0.575 4.914 4.340 -0.002 0.000 0.264 241 L C -0.498 176.579 176.870 0.345 0.000 0.998 241 L CA -0.921 54.171 54.840 0.421 0.000 0.817 241 L CB 2.341 44.672 42.059 0.454 0.000 1.338 241 L HN 0.553 nan 8.230 nan 0.000 0.414 242 S N 2.343 118.183 115.700 0.234 0.000 2.565 242 S HA 0.584 5.053 4.470 -0.002 0.000 0.276 242 S C -0.335 174.304 174.600 0.065 0.000 1.326 242 S CA -0.429 57.861 58.200 0.150 0.000 1.045 242 S CB 0.850 64.125 63.200 0.126 0.000 0.918 242 S HN 0.412 nan 8.310 nan 0.000 0.505 243 I N 0.370 120.938 120.570 -0.003 0.000 2.740 243 I HA 0.608 4.777 4.170 -0.002 0.000 0.303 243 I C -0.505 175.641 176.117 0.049 0.000 1.044 243 I CA -0.934 60.348 61.300 -0.030 0.000 1.064 243 I CB 1.672 39.531 38.000 -0.234 0.000 1.249 243 I HN 0.481 nan 8.210 nan 0.000 0.433 244 N N 2.993 121.765 118.700 0.121 0.000 2.419 244 N HA 0.280 5.019 4.740 -0.002 0.000 0.264 244 N C 0.215 175.886 175.510 0.269 0.000 1.031 244 N CA -0.491 52.649 53.050 0.150 0.000 0.951 244 N CB 0.614 39.164 38.487 0.105 0.000 1.101 244 N HN 0.714 nan 8.380 nan 0.000 0.488 245 F N 3.359 123.378 119.950 0.116 0.000 2.269 245 F HA 0.001 4.526 4.527 -0.002 0.000 0.301 245 F C 1.347 177.296 175.800 0.248 0.000 1.082 245 F CA 1.102 59.211 58.000 0.181 0.000 1.360 245 F CB 0.162 39.235 39.000 0.120 0.000 1.041 245 F HN 0.584 nan 8.300 nan 0.000 0.512 246 N N -0.279 118.576 118.700 0.258 0.000 2.370 246 N HA -0.013 4.726 4.740 -0.002 0.000 0.198 246 N C 1.662 177.131 175.510 -0.069 0.000 1.156 246 N CA 0.477 53.596 53.050 0.115 0.000 0.839 246 N CB -0.184 38.400 38.487 0.160 0.000 0.989 246 N HN 0.115 nan 8.380 nan 0.000 0.468 247 S N 1.257 116.899 115.700 -0.097 0.000 2.372 247 S HA -0.131 4.337 4.470 -0.002 0.000 0.227 247 S C -0.676 173.436 174.600 -0.813 0.000 1.044 247 S CA 1.296 59.319 58.200 -0.295 0.000 1.050 247 S CB -0.909 62.136 63.200 -0.260 0.000 0.901 247 S HN 0.386 nan 8.310 nan 0.000 0.447 248 P HA -0.104 nan 4.420 nan 0.000 0.216 248 P C 1.302 178.193 177.300 -0.682 0.000 1.150 248 P CA 1.265 63.354 63.100 -1.685 0.000 0.843 248 P CB -0.018 30.930 31.700 -1.252 0.000 0.787 249 R N -0.661 119.609 120.500 -0.384 0.000 2.075 249 R HA 0.076 4.415 4.340 -0.002 0.000 0.226 249 R C 2.354 178.593 176.300 -0.102 0.000 1.114 249 R CA 1.270 57.268 56.100 -0.170 0.000 0.972 249 R CB -1.081 29.173 30.300 -0.076 0.000 0.869 249 R HN 0.117 nan 8.270 nan 0.000 0.437 250 A N 0.813 123.578 122.820 -0.092 0.000 1.940 250 A HA -0.143 4.176 4.320 -0.002 0.000 0.219 250 A C 1.665 179.189 177.584 -0.100 0.000 1.176 250 A CA 1.224 53.215 52.037 -0.076 0.000 0.631 250 A CB -0.530 18.431 19.000 -0.065 0.000 0.814 250 A HN 0.222 nan 8.150 nan 0.000 0.446 251 F N -0.391 119.476 119.950 -0.139 0.000 2.802 251 F HA 0.270 4.796 4.527 -0.001 0.000 0.300 251 F C 1.903 177.688 175.800 -0.026 0.000 1.168 251 F CA 0.653 58.635 58.000 -0.031 0.000 1.433 251 F CB -0.224 38.844 39.000 0.114 0.000 1.115 251 F HN 0.376 nan 8.300 nan 0.000 0.582 252 G N 0.276 109.108 108.800 0.053 0.000 2.179 252 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.257 252 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.257 252 G C 0.784 175.711 174.900 0.044 0.000 1.010 252 G CA 0.645 45.760 45.100 0.025 0.000 0.736 252 G HN 0.346 nan 8.290 nan 0.000 0.513 253 D N -1.098 119.327 120.400 0.041 0.000 2.338 253 D HA 0.236 4.875 4.640 -0.002 0.000 0.208 253 D C 1.057 177.353 176.300 -0.006 0.000 0.997 253 D CA 1.020 55.063 54.000 0.071 0.000 0.880 253 D CB 0.833 41.779 40.800 0.244 0.000 0.980 253 D HN 0.394 nan 8.370 nan 0.000 0.509 254 V N 1.724 121.571 119.914 -0.112 0.000 2.841 254 V HA 0.117 4.236 4.120 -0.002 0.000 0.310 254 V C -0.167 175.869 176.094 -0.096 0.000 1.090 254 V CA -0.877 61.358 62.300 -0.107 0.000 0.930 254 V CB 2.342 34.059 31.823 -0.177 0.000 1.014 254 V HN -0.094 nan 8.190 nan 0.000 0.425 255 D N 0.270 120.641 120.400 -0.048 0.000 2.336 255 D HA 0.126 4.765 4.640 -0.002 0.000 0.229 255 D C 0.506 176.805 176.300 -0.002 0.000 1.061 255 D CA 0.366 54.355 54.000 -0.018 0.000 0.875 255 D CB 0.577 41.379 40.800 0.004 0.000 0.904 255 D HN 0.545 nan 8.370 nan 0.000 0.525 256 T N -2.157 112.365 114.554 -0.054 0.000 2.816 256 T HA 0.636 4.985 4.350 -0.002 0.000 0.299 256 T C -1.044 173.498 174.700 -0.263 0.000 1.230 256 T CA -0.281 61.772 62.100 -0.078 0.000 1.007 256 T CB 1.480 70.315 68.868 -0.055 0.000 1.289 256 T HN -0.089 nan 8.240 nan 0.000 0.508 257 A N 1.392 123.856 122.820 -0.594 0.000 2.603 257 A HA 0.398 4.717 4.320 -0.002 0.000 0.277 257 A C 0.182 177.335 177.584 -0.717 0.000 1.158 257 A CA -0.080 51.599 52.037 -0.597 0.000 0.962 257 A CB -0.136 18.657 19.000 -0.345 0.000 1.189 257 A HN 0.748 nan 8.150 nan 0.000 0.552 258 D N 1.784 121.679 120.400 -0.843 0.000 2.502 258 D HA 0.034 4.673 4.640 -0.002 0.000 0.249 258 D C -1.086 175.174 176.300 -0.066 0.000 1.188 258 D CA -1.323 52.468 54.000 -0.349 0.000 0.890 258 D CB 1.071 41.796 40.800 -0.125 0.000 1.140 258 D HN 0.173 nan 8.370 nan 0.000 0.505 259 P HA -0.109 nan 4.420 nan 0.000 0.225 259 P C 1.374 178.725 177.300 0.085 0.000 1.148 259 P CA 0.687 63.867 63.100 0.132 0.000 0.779 259 P CB 0.283 32.147 31.700 0.273 0.000 0.780 260 L N -0.876 120.387 121.223 0.068 0.000 2.558 260 L HA 0.131 4.470 4.340 -0.002 0.000 0.225 260 L C 1.192 178.087 176.870 0.040 0.000 1.128 260 L CA 0.252 55.122 54.840 0.050 0.000 0.868 260 L CB -0.541 41.546 42.059 0.045 0.000 1.006 260 L HN -0.012 nan 8.230 nan 0.000 0.454 261 D N 1.835 122.253 120.400 0.031 0.000 2.343 261 D HA 0.053 4.692 4.640 -0.002 0.000 0.255 261 D C -1.460 174.864 176.300 0.040 0.000 1.187 261 D CA -1.685 52.329 54.000 0.023 0.000 0.875 261 D CB 1.881 42.679 40.800 -0.003 0.000 1.136 261 D HN -0.057 nan 8.370 nan 0.000 0.469 262 P HA -0.168 nan 4.420 nan 0.000 0.217 262 P C 1.109 178.448 177.300 0.064 0.000 1.148 262 P CA 1.012 64.143 63.100 0.051 0.000 0.828 262 P CB 0.381 32.104 31.700 0.038 0.000 0.783 263 R N -0.403 120.128 120.500 0.052 0.000 2.092 263 R HA -0.036 4.303 4.340 -0.002 0.000 0.231 263 R C 2.404 178.762 176.300 0.097 0.000 1.119 263 R CA 0.970 57.107 56.100 0.063 0.000 0.970 263 R CB -0.952 29.370 30.300 0.037 0.000 0.864 263 R HN 0.105 nan 8.270 nan 0.000 0.440 264 V N 1.266 121.225 119.914 0.076 0.000 2.358 264 V HA -0.242 3.877 4.120 -0.002 0.000 0.246 264 V C 2.206 178.471 176.094 0.285 0.000 1.047 264 V CA 1.687 64.057 62.300 0.116 0.000 1.035 264 V CB -0.470 31.374 31.823 0.035 0.000 0.658 264 V HN 0.350 nan 8.190 nan 0.000 0.452 265 Q N -0.432 119.495 119.800 0.213 0.000 2.061 265 Q HA -0.312 4.027 4.340 -0.002 0.000 0.204 265 Q C 2.361 178.502 176.000 0.236 0.000 0.984 265 Q CA 2.014 57.955 55.803 0.229 0.000 0.846 265 Q CB -0.256 28.564 28.738 0.137 0.000 0.902 265 Q HN 0.536 nan 8.270 nan 0.000 0.421 266 Q N 0.119 120.021 119.800 0.170 0.000 2.119 266 Q HA -0.185 4.154 4.340 -0.002 0.000 0.201 266 Q C 1.471 177.542 176.000 0.117 0.000 0.972 266 Q CA 1.566 57.443 55.803 0.123 0.000 0.847 266 Q CB -0.475 28.311 28.738 0.080 0.000 0.903 266 Q HN 0.504 nan 8.270 nan 0.000 0.433 267 W N -0.695 120.573 121.300 -0.052 0.000 2.335 267 W HA -0.204 4.455 4.660 -0.002 0.000 0.311 267 W C 1.331 177.709 176.519 -0.235 0.000 1.213 267 W CA 1.883 59.107 57.345 -0.203 0.000 1.274 267 W CB -0.548 28.709 29.460 -0.337 0.000 1.148 267 W HN 0.239 nan 8.180 nan 0.000 0.498 268 W N 0.608 122.086 121.300 0.297 0.000 2.388 268 W HA -0.108 4.550 4.660 -0.002 0.000 0.294 268 W C 2.611 179.163 176.519 0.055 0.000 1.212 268 W CA 1.830 59.299 57.345 0.207 0.000 1.271 268 W CB -0.753 28.872 29.460 0.275 0.000 1.126 268 W HN -0.175 nan 8.180 nan 0.000 0.535 269 K N -0.132 120.421 120.400 0.253 0.000 2.026 269 K HA -0.166 4.153 4.320 -0.002 0.000 0.208 269 K C 1.829 178.461 176.600 0.054 0.000 1.048 269 K CA 2.120 58.508 56.287 0.168 0.000 0.929 269 K CB -0.533 32.047 32.500 0.133 0.000 0.713 269 K HN -0.062 nan 8.250 nan 0.000 0.439 270 T N 0.561 115.066 114.554 -0.081 0.000 2.788 270 T HA -0.112 4.237 4.350 -0.002 0.000 0.268 270 T C 1.814 176.332 174.700 -0.305 0.000 1.044 270 T CA 1.409 63.397 62.100 -0.186 0.000 1.139 270 T CB -0.211 68.495 68.868 -0.270 0.000 0.867 270 T HN 0.220 nan 8.240 nan 0.000 0.454 271 R N 1.628 121.837 120.500 -0.485 0.000 2.075 271 R HA 0.142 4.481 4.340 -0.002 0.000 0.232 271 R C 2.387 178.556 176.300 -0.218 0.000 1.126 271 R CA 1.542 57.313 56.100 -0.547 0.000 0.963 271 R CB -0.973 28.761 30.300 -0.942 0.000 0.858 271 R HN 0.344 nan 8.270 nan 0.000 0.435 272 A N 0.255 123.060 122.820 -0.025 0.000 1.902 272 A HA -0.224 4.095 4.320 -0.002 0.000 0.217 272 A C 2.072 179.529 177.584 -0.212 0.000 1.181 272 A CA 1.642 53.687 52.037 0.013 0.000 0.623 272 A CB -0.531 18.575 19.000 0.178 0.000 0.818 272 A HN 0.517 nan 8.150 nan 0.000 0.443 273 Q N -0.605 119.105 119.800 -0.150 0.000 2.061 273 Q HA -0.225 4.114 4.340 -0.002 0.000 0.204 273 Q C 2.235 178.118 176.000 -0.195 0.000 0.984 273 Q CA 1.933 57.639 55.803 -0.162 0.000 0.846 273 Q CB -0.219 28.539 28.738 0.033 0.000 0.902 273 Q HN 0.731 nan 8.270 nan 0.000 0.421 274 K N 0.886 121.176 120.400 -0.184 0.000 2.026 274 K HA -0.171 4.148 4.320 -0.002 0.000 0.208 274 K C 1.982 178.512 176.600 -0.116 0.000 1.048 274 K CA 1.239 57.434 56.287 -0.153 0.000 0.929 274 K CB -0.117 32.285 32.500 -0.163 0.000 0.713 274 K HN 0.147 nan 8.250 nan 0.000 0.439 275 I N 0.217 120.651 120.570 -0.226 0.000 2.163 275 I HA -0.301 3.868 4.170 -0.002 0.000 0.243 275 I C 1.917 177.767 176.117 -0.445 0.000 1.085 275 I CA 1.464 62.530 61.300 -0.391 0.000 1.347 275 I CB -0.313 37.248 38.000 -0.732 0.000 1.044 275 I HN 0.198 nan 8.210 nan 0.000 0.408 276 Y N 0.712 120.744 120.300 -0.447 0.000 2.439 276 Y HA -0.203 4.346 4.550 -0.001 0.000 0.292 276 Y C 2.911 178.677 175.900 -0.224 0.000 1.130 276 Y CA 1.331 59.194 58.100 -0.396 0.000 1.254 276 Y CB -0.442 37.536 38.460 -0.804 0.000 1.000 276 Y HN 0.264 nan 8.280 nan 0.000 0.554 277 S N -1.189 114.432 115.700 -0.132 0.000 2.402 277 S HA -0.221 4.248 4.470 -0.002 0.000 0.229 277 S C 1.616 176.069 174.600 -0.245 0.000 1.021 277 S CA 1.180 59.270 58.200 -0.184 0.000 0.974 277 S CB -0.785 62.249 63.200 -0.277 0.000 0.800 277 S HN 0.453 nan 8.310 nan 0.000 0.484 278 Y N 1.324 121.545 120.300 -0.132 0.000 2.314 278 Y HA 0.455 5.004 4.550 -0.001 0.000 0.294 278 Y C 0.961 176.798 175.900 -0.104 0.000 1.119 278 Y CA 0.097 58.127 58.100 -0.117 0.000 1.179 278 Y CB 0.209 38.580 38.460 -0.148 0.000 1.025 278 Y HN 0.228 nan 8.280 nan 0.000 0.541 279 I N 1.036 121.608 120.570 0.003 0.000 2.563 279 I HA 0.214 4.383 4.170 -0.002 0.000 0.276 279 I C -2.204 173.899 176.117 -0.023 0.000 1.074 279 I CA -1.705 59.585 61.300 -0.018 0.000 1.124 279 I CB 1.899 39.880 38.000 -0.033 0.000 1.225 279 I HN -0.143 nan 8.210 nan 0.000 0.482 280 P HA -0.111 nan 4.420 nan 0.000 0.226 280 P C 0.419 177.907 177.300 0.313 0.000 1.153 280 P CA 1.132 64.364 63.100 0.219 0.000 0.777 280 P CB 0.009 31.797 31.700 0.147 0.000 0.794 281 D N -1.972 118.551 120.400 0.205 0.000 2.559 281 D HA 0.017 4.656 4.640 -0.002 0.000 0.234 281 D C -0.016 176.365 176.300 0.135 0.000 1.226 281 D CA -1.092 53.031 54.000 0.205 0.000 0.830 281 D CB -1.177 39.706 40.800 0.138 0.000 1.028 281 D HN 0.003 nan 8.370 nan 0.000 0.492 282 F N 1.630 121.487 119.950 -0.154 0.000 2.629 282 F HA 0.347 4.873 4.527 -0.002 0.000 0.377 282 F C 1.645 177.269 175.800 -0.293 0.000 1.101 282 F CA 0.711 58.472 58.000 -0.398 0.000 1.301 282 F CB 1.206 39.636 39.000 -0.951 0.000 1.062 282 F HN 0.036 nan 8.300 nan 0.000 0.583 283 G N 2.963 111.032 108.800 -1.219 0.000 2.394 283 G HA2 0.381 4.340 3.960 -0.002 0.000 0.214 283 G HA3 0.381 4.340 3.960 -0.002 0.000 0.214 283 G C 0.614 174.929 174.900 -0.976 0.000 1.176 283 G CA 0.628 44.886 45.100 -1.403 0.000 0.786 283 G HN 1.414 nan 8.290 nan 0.000 0.533 284 G N -1.529 106.541 108.800 -1.217 0.000 2.302 284 G HA2 0.310 4.269 3.960 -0.002 0.000 0.264 284 G HA3 0.310 4.269 3.960 -0.002 0.000 0.264 284 G C -1.483 173.351 174.900 -0.110 0.000 1.335 284 G CA -0.844 43.945 45.100 -0.518 0.000 0.982 284 G HN 0.226 nan 8.290 nan 0.000 0.473 285 F N -0.200 119.759 119.950 0.014 0.000 2.522 285 F HA 0.834 5.360 4.527 -0.002 0.000 0.324 285 F C 0.173 175.997 175.800 0.041 0.000 1.077 285 F CA -1.450 56.613 58.000 0.105 0.000 0.944 285 F CB 1.811 40.900 39.000 0.148 0.000 1.175 285 F HN 0.468 nan 8.300 nan 0.000 0.468 286 L N 2.680 124.109 121.223 0.342 0.000 2.317 286 L HA 0.817 5.156 4.340 -0.002 0.000 0.281 286 L C -1.089 175.855 176.870 0.124 0.000 1.024 286 L CA -0.631 54.373 54.840 0.272 0.000 0.810 286 L CB 1.586 43.815 42.059 0.284 0.000 1.240 286 L HN 0.329 nan 8.230 nan 0.000 0.427 287 V N 4.818 124.722 119.914 -0.016 0.000 2.482 287 V HA 0.427 4.546 4.120 -0.002 0.000 0.295 287 V C -0.470 175.376 176.094 -0.412 0.000 1.026 287 V CA -0.865 61.278 62.300 -0.261 0.000 0.856 287 V CB 1.503 33.006 31.823 -0.534 0.000 1.001 287 V HN 0.740 nan 8.190 nan 0.000 0.424 288 K N 3.822 124.062 120.400 -0.268 0.000 2.334 288 K HA 0.806 5.125 4.320 -0.002 0.000 0.265 288 K C -0.497 175.959 176.600 -0.241 0.000 1.039 288 K CA -0.206 55.955 56.287 -0.209 0.000 0.920 288 K CB 1.168 33.618 32.500 -0.083 0.000 1.160 288 K HN 0.890 nan 8.250 nan 0.000 0.451 289 A N 3.864 126.488 122.820 -0.325 0.000 2.414 289 A HA 0.417 4.736 4.320 -0.002 0.000 0.306 289 A C -0.743 176.838 177.584 -0.005 0.000 1.054 289 A CA -0.555 51.327 52.037 -0.259 0.000 0.724 289 A CB 0.836 19.477 19.000 -0.598 0.000 1.267 289 A HN 0.913 nan 8.150 nan 0.000 0.418 290 D N 0.103 120.520 120.400 0.029 0.000 2.723 290 D HA -0.133 4.506 4.640 -0.002 0.000 0.236 290 D C -0.074 176.228 176.300 0.005 0.000 1.138 290 D CA 1.953 55.998 54.000 0.075 0.000 0.676 290 D CB -0.968 39.971 40.800 0.231 0.000 1.069 290 D HN 0.689 nan 8.370 nan 0.000 0.430 291 S N -0.667 115.007 115.700 -0.043 0.000 2.619 291 S HA 0.360 4.829 4.470 -0.002 0.000 0.280 291 S C 0.084 174.627 174.600 -0.095 0.000 1.150 291 S CA -0.375 57.745 58.200 -0.133 0.000 0.978 291 S CB 1.263 64.413 63.200 -0.083 0.000 1.041 291 S HN 0.177 nan 8.310 nan 0.000 0.485 292 E N 2.733 122.846 120.200 -0.144 0.000 2.539 292 E HA -0.256 4.093 4.350 -0.002 0.000 0.253 292 E C 0.875 177.494 176.600 0.033 0.000 1.145 292 E CA 0.813 57.229 56.400 0.026 0.000 0.738 292 E CB -1.742 28.056 29.700 0.165 0.000 1.308 292 E HN 1.532 nan 8.360 nan 0.000 0.409 293 G N -0.790 107.995 108.800 -0.025 0.000 2.176 293 G HA2 -0.328 3.631 3.960 -0.002 0.000 0.253 293 G HA3 -0.328 3.631 3.960 -0.002 0.000 0.253 293 G C 0.158 175.061 174.900 0.005 0.000 0.979 293 G CA 0.315 45.410 45.100 -0.008 0.000 0.641 293 G HN 0.195 nan 8.290 nan 0.000 0.530 294 Q N 1.148 120.951 119.800 0.004 0.000 2.314 294 Q HA 0.395 4.734 4.340 -0.002 0.000 0.258 294 Q C -2.078 173.936 176.000 0.025 0.000 0.954 294 Q CA -1.528 54.283 55.803 0.014 0.000 0.890 294 Q CB 0.904 29.640 28.738 -0.003 0.000 1.210 294 Q HN 0.294 nan 8.270 nan 0.000 0.410 295 P HA 0.334 nan 4.420 nan 0.000 0.271 295 P C -0.295 177.069 177.300 0.107 0.000 1.233 295 P CA -0.071 63.103 63.100 0.124 0.000 0.789 295 P CB 0.712 32.550 31.700 0.230 0.000 0.951 296 G N -0.278 108.577 108.800 0.091 0.000 2.488 296 G HA2 0.350 4.309 3.960 -0.002 0.000 0.301 296 G HA3 0.350 4.309 3.960 -0.002 0.000 0.301 296 G C -2.667 172.109 174.900 -0.207 0.000 1.339 296 G CA -0.745 44.189 45.100 -0.276 0.000 0.803 296 G HN 0.085 nan 8.290 nan 0.000 0.482 297 P HA -0.080 nan 4.420 nan 0.000 0.218 297 P C 1.505 178.899 177.300 0.157 0.000 1.148 297 P CA 1.254 64.344 63.100 -0.017 0.000 0.822 297 P CB 0.191 31.851 31.700 -0.067 0.000 0.784 298 Q N -0.721 119.144 119.800 0.109 0.000 2.291 298 Q HA -0.047 4.292 4.340 -0.002 0.000 0.206 298 Q C 2.300 178.288 176.000 -0.020 0.000 0.976 298 Q CA 1.307 57.136 55.803 0.044 0.000 0.875 298 Q CB -0.913 27.832 28.738 0.012 0.000 0.927 298 Q HN 0.288 nan 8.270 nan 0.000 0.450 299 G N -0.530 108.226 108.800 -0.073 0.000 2.535 299 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.218 299 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.218 299 G C 0.438 174.979 174.900 -0.597 0.000 1.122 299 G CA 0.484 45.391 45.100 -0.323 0.000 0.769 299 G HN 0.355 nan 8.290 nan 0.000 0.549 300 Y N -0.716 119.627 120.300 0.072 0.000 2.682 300 Y HA 0.392 4.941 4.550 -0.002 0.000 0.251 300 Y C 1.698 177.627 175.900 0.047 0.000 1.172 300 Y CA -0.696 57.449 58.100 0.075 0.000 1.186 300 Y CB 0.513 39.048 38.460 0.126 0.000 1.216 300 Y HN 0.149 nan 8.280 nan 0.000 0.540 301 G N 1.059 109.904 108.800 0.074 0.000 2.198 301 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.260 301 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.260 301 G C 0.155 175.087 174.900 0.053 0.000 1.025 301 G CA -0.084 45.041 45.100 0.041 0.000 0.769 301 G HN 0.112 nan 8.290 nan 0.000 0.507 302 R N 0.139 120.694 120.500 0.091 0.000 2.856 302 R HA 0.629 4.968 4.340 -0.002 0.000 0.258 302 R C 0.197 176.519 176.300 0.036 0.000 1.066 302 R CA -0.394 55.748 56.100 0.069 0.000 1.045 302 R CB 0.785 31.158 30.300 0.122 0.000 1.178 302 R HN 0.472 nan 8.270 nan 0.000 0.499 303 D N -1.926 118.469 120.400 -0.009 0.000 2.437 303 D HA 0.160 4.799 4.640 -0.002 0.000 0.259 303 D C 0.672 176.983 176.300 0.019 0.000 1.118 303 D CA -0.374 53.602 54.000 -0.041 0.000 1.017 303 D CB 0.500 41.220 40.800 -0.133 0.000 1.120 303 D HN 0.479 nan 8.370 nan 0.000 0.541 304 H N -0.885 118.063 119.070 -0.203 0.000 2.462 304 H HA 0.035 4.590 4.556 -0.002 0.000 0.292 304 H C 1.749 176.804 175.328 -0.454 0.000 1.049 304 H CA 0.587 56.484 56.048 -0.252 0.000 1.334 304 H CB 0.372 30.146 29.762 0.021 0.000 1.404 304 H HN 0.545 nan 8.280 nan 0.000 0.544 305 A N 1.349 123.935 122.820 -0.389 0.000 1.873 305 A HA -0.175 4.144 4.320 -0.002 0.000 0.215 305 A C 2.109 179.487 177.584 -0.343 0.000 1.186 305 A CA 1.397 53.024 52.037 -0.684 0.000 0.616 305 A CB -0.277 18.195 19.000 -0.880 0.000 0.823 305 A HN 0.420 nan 8.150 nan 0.000 0.442 306 E N -0.624 119.441 120.200 -0.226 0.000 2.085 306 E HA -0.142 4.207 4.350 -0.002 0.000 0.194 306 E C 2.119 178.690 176.600 -0.049 0.000 0.994 306 E CA 0.917 57.255 56.400 -0.103 0.000 0.801 306 E CB -0.364 29.308 29.700 -0.047 0.000 0.743 306 E HN 0.612 nan 8.360 nan 0.000 0.453 307 G N 1.038 109.781 108.800 -0.096 0.000 2.404 307 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.215 307 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.215 307 G C 1.700 176.577 174.900 -0.038 0.000 1.174 307 G CA 0.791 45.914 45.100 0.038 0.000 0.780 307 G HN 0.345 nan 8.290 nan 0.000 0.537 308 A N 1.330 123.842 122.820 -0.513 0.000 1.902 308 A HA -0.086 4.232 4.320 -0.002 0.000 0.217 308 A C 2.255 179.841 177.584 0.003 0.000 1.181 308 A CA 1.935 53.798 52.037 -0.290 0.000 0.623 308 A CB -0.429 18.312 19.000 -0.432 0.000 0.818 308 A HN 0.345 nan 8.150 nan 0.000 0.443 309 N N -0.600 118.087 118.700 -0.022 0.000 2.244 309 N HA -0.110 4.629 4.740 -0.002 0.000 0.183 309 N C 1.667 177.198 175.510 0.036 0.000 1.016 309 N CA 1.341 54.402 53.050 0.019 0.000 0.866 309 N CB -0.460 38.017 38.487 -0.018 0.000 0.980 309 N HN 0.504 nan 8.380 nan 0.000 0.430 310 M N 0.778 120.401 119.600 0.039 0.000 2.086 310 M HA -0.062 4.417 4.480 -0.002 0.000 0.261 310 M C 1.681 178.009 176.300 0.046 0.000 1.067 310 M CA 1.251 56.583 55.300 0.054 0.000 1.116 310 M CB -0.499 32.140 32.600 0.065 0.000 1.348 310 M HN 0.066 nan 8.290 nan 0.000 0.407 311 L N 0.238 121.471 121.223 0.016 0.000 2.046 311 L HA -0.160 4.179 4.340 -0.002 0.000 0.208 311 L C 2.740 179.669 176.870 0.097 0.000 1.077 311 L CA 1.240 56.098 54.840 0.029 0.000 0.747 311 L CB -1.124 40.991 42.059 0.093 0.000 0.896 311 L HN 0.361 nan 8.230 nan 0.000 0.432 312 A N 0.085 122.956 122.820 0.086 0.000 1.933 312 A HA -0.141 4.178 4.320 -0.002 0.000 0.218 312 A C 2.528 180.144 177.584 0.054 0.000 1.175 312 A CA 1.643 53.715 52.037 0.060 0.000 0.628 312 A CB -0.623 18.415 19.000 0.063 0.000 0.814 312 A HN 0.401 nan 8.150 nan 0.000 0.444 313 A N -0.238 122.619 122.820 0.063 0.000 1.969 313 A HA 0.203 4.522 4.320 -0.002 0.000 0.218 313 A C 2.426 180.059 177.584 0.082 0.000 1.169 313 A CA 1.849 53.921 52.037 0.058 0.000 0.635 313 A CB -0.807 18.227 19.000 0.057 0.000 0.810 313 A HN 0.999 nan 8.150 nan 0.000 0.445 314 A N -0.528 122.371 122.820 0.133 0.000 1.969 314 A HA 0.091 4.410 4.320 -0.002 0.000 0.218 314 A C 2.062 179.768 177.584 0.205 0.000 1.169 314 A CA 1.321 53.477 52.037 0.200 0.000 0.635 314 A CB -0.389 18.798 19.000 0.311 0.000 0.810 314 A HN 0.460 nan 8.150 nan 0.000 0.445 315 L N -1.499 119.799 121.223 0.126 0.000 2.307 315 L HA -0.008 4.330 4.340 -0.002 0.000 0.211 315 L C 2.361 179.266 176.870 0.060 0.000 1.099 315 L CA 0.924 55.829 54.840 0.108 0.000 0.816 315 L CB -0.249 41.793 42.059 -0.028 0.000 0.952 315 L HN 0.269 nan 8.230 nan 0.000 0.455 316 K N 1.371 121.780 120.400 0.015 0.000 2.059 316 K HA -0.184 4.135 4.320 -0.002 0.000 0.212 316 K C -0.667 175.864 176.600 -0.115 0.000 1.050 316 K CA 1.874 58.142 56.287 -0.033 0.000 0.927 316 K CB -1.189 31.299 32.500 -0.021 0.000 0.714 316 K HN 0.128 nan 8.250 nan 0.000 0.447 317 P HA -0.073 nan 4.420 nan 0.000 0.225 317 P C 0.241 177.160 177.300 -0.636 0.000 1.148 317 P CA 1.053 63.884 63.100 -0.450 0.000 0.779 317 P CB 0.078 31.389 31.700 -0.649 0.000 0.780 318 F N -1.955 117.797 119.950 -0.330 0.000 2.678 318 F HA 0.413 4.939 4.527 -0.001 0.000 0.305 318 F C 1.716 177.303 175.800 -0.355 0.000 1.090 318 F CA 0.339 58.005 58.000 -0.557 0.000 1.272 318 F CB -0.350 37.794 39.000 -1.427 0.000 1.060 318 F HN -0.048 nan 8.300 nan 0.000 0.576 319 G N 0.501 109.266 108.800 -0.057 0.000 2.143 319 G HA2 -0.195 3.763 3.960 -0.002 0.000 0.249 319 G HA3 -0.195 3.763 3.960 -0.002 0.000 0.249 319 G C 0.670 175.598 174.900 0.047 0.000 0.981 319 G CA -0.145 44.964 45.100 0.015 0.000 0.665 319 G HN 0.730 nan 8.290 nan 0.000 0.528 320 G N -0.981 107.849 108.800 0.050 0.000 2.507 320 G HA2 0.755 4.714 3.960 -0.002 0.000 0.271 320 G HA3 0.755 4.714 3.960 -0.002 0.000 0.271 320 G C 0.228 175.083 174.900 -0.076 0.000 1.189 320 G CA 0.270 45.396 45.100 0.043 0.000 0.859 320 G HN 1.583 nan 8.290 nan 0.000 0.542 321 V N -1.178 118.632 119.914 -0.174 0.000 2.960 321 V HA 0.788 4.907 4.120 -0.002 0.000 0.315 321 V C -0.402 175.506 176.094 -0.310 0.000 1.087 321 V CA -1.087 61.064 62.300 -0.248 0.000 0.982 321 V CB 1.855 33.475 31.823 -0.338 0.000 1.039 321 V HN 0.509 nan 8.190 nan 0.000 0.437 322 V N 3.349 123.159 119.914 -0.173 0.000 2.347 322 V HA 0.453 4.572 4.120 -0.002 0.000 0.280 322 V C -0.785 175.337 176.094 0.047 0.000 1.021 322 V CA -0.130 62.153 62.300 -0.029 0.000 0.847 322 V CB 0.946 32.864 31.823 0.157 0.000 0.990 322 V HN 0.715 nan 8.190 nan 0.000 0.444 323 F N 4.447 124.454 119.950 0.095 0.000 2.377 323 F HA 0.288 4.814 4.527 -0.002 0.000 0.360 323 F C 0.157 176.014 175.800 0.096 0.000 1.147 323 F CA -1.274 56.742 58.000 0.026 0.000 1.170 323 F CB 0.433 39.405 39.000 -0.047 0.000 1.339 323 F HN 0.539 nan 8.300 nan 0.000 0.552 324 W N 6.157 127.505 121.300 0.080 0.000 2.335 324 W HA 0.397 5.056 4.660 -0.001 0.000 0.307 324 W C -0.265 176.226 176.519 -0.047 0.000 1.117 324 W CA -0.937 56.418 57.345 0.016 0.000 1.228 324 W CB 0.824 30.264 29.460 -0.034 0.000 1.240 324 W HN 0.456 nan 8.180 nan 0.000 0.468 325 R N 3.574 123.956 120.500 -0.197 0.000 2.490 325 R HA 0.294 4.633 4.340 -0.002 0.000 0.280 325 R C 0.901 177.194 176.300 -0.012 0.000 1.077 325 R CA 0.091 56.145 56.100 -0.077 0.000 1.065 325 R CB 1.049 31.334 30.300 -0.025 0.000 1.003 325 R HN 0.553 nan 8.270 nan 0.000 0.470 326 A N 3.316 126.073 122.820 -0.104 0.000 2.275 326 A HA 0.014 4.333 4.320 -0.002 0.000 0.212 326 A C 0.281 177.991 177.584 0.211 0.000 1.201 326 A CA -0.175 51.736 52.037 -0.209 0.000 0.843 326 A CB -0.019 18.667 19.000 -0.524 0.000 0.873 326 A HN 0.658 nan 8.150 nan 0.000 0.492 327 F N 1.722 121.711 119.950 0.066 0.000 2.685 327 F HA 0.405 4.930 4.527 -0.002 0.000 0.349 327 F C -0.485 175.470 175.800 0.259 0.000 1.294 327 F CA -0.365 57.710 58.000 0.124 0.000 1.201 327 F CB -0.219 38.808 39.000 0.044 0.000 1.615 327 F HN -0.084 nan 8.300 nan 0.000 0.674 328 V N 6.030 126.034 119.914 0.151 0.000 2.733 328 V HA 0.435 4.554 4.120 -0.002 0.000 0.306 328 V C -1.373 174.818 176.094 0.162 0.000 1.084 328 V CA -0.947 61.411 62.300 0.098 0.000 0.905 328 V CB 1.834 33.815 31.823 0.264 0.000 1.010 328 V HN 0.373 nan 8.190 nan 0.000 0.424 329 Y N 1.487 121.725 120.300 -0.104 0.000 2.333 329 Y HA 0.672 5.220 4.550 -0.002 0.000 0.319 329 Y C -0.992 174.883 175.900 -0.042 0.000 1.200 329 Y CA -1.107 56.964 58.100 -0.048 0.000 1.084 329 Y CB 0.349 38.777 38.460 -0.052 0.000 1.268 329 Y HN 0.750 nan 8.280 nan 0.000 0.422 330 H N 5.956 124.966 119.070 -0.101 0.000 2.582 330 H HA 0.386 4.941 4.556 -0.002 0.000 0.345 330 H C -1.773 173.493 175.328 -0.103 0.000 1.104 330 H CA -1.738 54.220 56.048 -0.150 0.000 1.390 330 H CB 1.756 31.454 29.762 -0.108 0.000 1.461 330 H HN 0.485 nan 8.280 nan 0.000 0.551 331 P HA -0.095 nan 4.420 nan 0.000 0.223 331 P C 0.128 177.413 177.300 -0.025 0.000 1.151 331 P CA 1.003 63.949 63.100 -0.256 0.000 0.787 331 P CB 0.429 31.888 31.700 -0.401 0.000 0.788 332 D N -0.094 120.422 120.400 0.192 0.000 2.328 332 D HA 0.070 4.709 4.640 -0.002 0.000 0.226 332 D C 1.201 177.582 176.300 0.136 0.000 1.066 332 D CA 0.045 54.148 54.000 0.172 0.000 0.861 332 D CB -0.115 40.800 40.800 0.192 0.000 0.912 332 D HN 0.339 nan 8.370 nan 0.000 0.521 333 I N -1.740 118.922 120.570 0.153 0.000 2.764 333 I HA 0.157 4.326 4.170 -0.002 0.000 0.294 333 I C 1.585 177.788 176.117 0.144 0.000 1.045 333 I CA -0.654 60.720 61.300 0.124 0.000 1.340 333 I CB 1.390 39.470 38.000 0.133 0.000 1.436 333 I HN -0.296 nan 8.210 nan 0.000 0.567 334 E N 1.084 121.359 120.200 0.125 0.000 2.077 334 E HA -0.212 4.137 4.350 -0.002 0.000 0.193 334 E C -0.197 176.524 176.600 0.201 0.000 0.989 334 E CA 1.244 57.721 56.400 0.129 0.000 0.800 334 E CB 0.315 30.068 29.700 0.089 0.000 0.746 334 E HN 0.800 nan 8.360 nan 0.000 0.452 335 D N -1.137 119.397 120.400 0.224 0.000 2.602 335 D HA 0.102 4.741 4.640 -0.002 0.000 0.245 335 D C 0.318 176.784 176.300 0.278 0.000 1.325 335 D CA -0.388 53.774 54.000 0.270 0.000 0.952 335 D CB 0.971 41.909 40.800 0.231 0.000 1.317 335 D HN -0.062 nan 8.370 nan 0.000 0.577 336 R N 2.897 123.602 120.500 0.341 0.000 2.133 336 R HA -0.203 4.136 4.340 -0.002 0.000 0.247 336 R C 1.565 178.001 176.300 0.226 0.000 1.151 336 R CA 1.367 57.621 56.100 0.256 0.000 0.971 336 R CB -0.324 30.096 30.300 0.200 0.000 0.866 336 R HN 0.497 nan 8.270 nan 0.000 0.447 337 F N 1.309 121.320 119.950 0.102 0.000 2.147 337 F HA -0.233 4.293 4.527 -0.002 0.000 0.301 337 F C 2.111 177.943 175.800 0.053 0.000 1.084 337 F CA 1.792 59.835 58.000 0.071 0.000 1.268 337 F CB -0.031 38.993 39.000 0.040 0.000 1.009 337 F HN -0.018 nan 8.300 nan 0.000 0.486 338 R N -0.268 120.425 120.500 0.321 0.000 2.236 338 R HA -0.005 4.334 4.340 -0.002 0.000 0.208 338 R C 2.475 178.878 176.300 0.171 0.000 1.036 338 R CA 0.519 56.750 56.100 0.219 0.000 1.001 338 R CB -0.845 29.573 30.300 0.197 0.000 0.896 338 R HN 0.471 nan 8.270 nan 0.000 0.464 339 G N 1.342 110.239 108.800 0.161 0.000 2.587 339 G HA2 -0.356 3.603 3.960 -0.002 0.000 0.217 339 G HA3 -0.356 3.603 3.960 -0.002 0.000 0.217 339 G C 1.505 176.505 174.900 0.166 0.000 1.240 339 G CA 1.101 46.300 45.100 0.167 0.000 0.794 339 G HN 0.398 nan 8.290 nan 0.000 0.580 340 A N -0.456 122.470 122.820 0.177 0.000 1.902 340 A HA -0.055 4.264 4.320 -0.002 0.000 0.217 340 A C 2.259 180.020 177.584 0.294 0.000 1.181 340 A CA 1.898 54.096 52.037 0.268 0.000 0.623 340 A CB -0.721 18.388 19.000 0.181 0.000 0.818 340 A HN 0.545 nan 8.150 nan 0.000 0.443 341 Y N 1.046 121.382 120.300 0.061 0.000 2.145 341 Y HA -0.233 4.316 4.550 -0.002 0.000 0.286 341 Y C 1.819 177.744 175.900 0.043 0.000 1.145 341 Y CA 2.195 60.312 58.100 0.029 0.000 1.148 341 Y CB -0.103 38.325 38.460 -0.053 0.000 0.981 341 Y HN 0.347 nan 8.280 nan 0.000 0.507 342 D N -0.144 120.389 120.400 0.222 0.000 2.219 342 D HA -0.140 4.499 4.640 -0.002 0.000 0.205 342 D C 1.961 178.235 176.300 -0.044 0.000 0.970 342 D CA 1.114 55.169 54.000 0.093 0.000 0.851 342 D CB -0.116 40.748 40.800 0.107 0.000 0.943 342 D HN 0.523 nan 8.370 nan 0.000 0.488 343 E N -0.573 119.587 120.200 -0.066 0.000 2.072 343 E HA -0.059 4.290 4.350 -0.002 0.000 0.190 343 E C 1.650 177.994 176.600 -0.427 0.000 0.982 343 E CA 0.652 56.869 56.400 -0.305 0.000 0.803 343 E CB -0.035 29.414 29.700 -0.418 0.000 0.755 343 E HN 0.354 nan 8.360 nan 0.000 0.453 344 F N -0.363 119.548 119.950 -0.065 0.000 2.622 344 F HA 0.099 4.624 4.527 -0.002 0.000 0.288 344 F C 2.280 178.014 175.800 -0.111 0.000 1.120 344 F CA 0.057 58.039 58.000 -0.030 0.000 1.423 344 F CB -0.082 38.932 39.000 0.023 0.000 1.127 344 F HN -0.106 nan 8.300 nan 0.000 0.588 345 M N 0.617 120.142 119.600 -0.124 0.000 2.106 345 M HA -0.145 4.334 4.480 -0.002 0.000 0.259 345 M C -0.604 175.609 176.300 -0.145 0.000 1.068 345 M CA 1.918 57.063 55.300 -0.258 0.000 1.100 345 M CB -2.246 29.995 32.600 -0.599 0.000 1.351 345 M HN -0.059 nan 8.290 nan 0.000 0.404 346 P HA -0.052 nan 4.420 nan 0.000 0.228 346 P C 1.307 178.542 177.300 -0.108 0.000 1.151 346 P CA 1.011 64.043 63.100 -0.112 0.000 0.770 346 P CB -0.160 31.466 31.700 -0.123 0.000 0.786 347 L N -1.868 119.308 121.223 -0.078 0.000 2.640 347 L HA 0.177 4.516 4.340 -0.002 0.000 0.230 347 L C 0.673 177.531 176.870 -0.021 0.000 1.123 347 L CA -0.325 54.447 54.840 -0.114 0.000 0.900 347 L CB -0.433 41.544 42.059 -0.136 0.000 1.146 347 L HN -0.120 nan 8.230 nan 0.000 0.484 348 D N 0.983 121.398 120.400 0.024 0.000 2.487 348 D HA 0.197 4.836 4.640 -0.002 0.000 0.243 348 D C 1.321 177.627 176.300 0.009 0.000 1.154 348 D CA 1.567 55.593 54.000 0.043 0.000 0.876 348 D CB 0.900 41.674 40.800 -0.043 0.000 1.161 348 D HN 0.299 nan 8.370 nan 0.000 0.478 349 G N 4.179 113.014 108.800 0.059 0.000 2.199 349 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.254 349 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.254 349 G C 1.140 176.031 174.900 -0.015 0.000 0.982 349 G CA 0.380 45.494 45.100 0.023 0.000 0.632 349 G HN 0.539 nan 8.290 nan 0.000 0.529 350 K N -0.316 120.022 120.400 -0.104 0.000 2.404 350 K HA 0.313 4.632 4.320 -0.002 0.000 0.194 350 K C 0.394 176.813 176.600 -0.302 0.000 1.023 350 K CA -0.004 56.139 56.287 -0.241 0.000 1.094 350 K CB 0.182 32.458 32.500 -0.374 0.000 0.841 350 K HN 0.398 nan 8.250 nan 0.000 0.523 351 F N 1.363 121.291 119.950 -0.037 0.000 2.384 351 F HA 0.323 4.849 4.527 -0.002 0.000 0.338 351 F C 1.089 176.880 175.800 -0.015 0.000 1.103 351 F CA -1.092 56.884 58.000 -0.040 0.000 1.157 351 F CB 0.581 39.560 39.000 -0.034 0.000 1.167 351 F HN -0.125 nan 8.300 nan 0.000 0.529 352 A N 1.730 124.659 122.820 0.182 0.000 2.448 352 A HA 0.033 4.352 4.320 -0.002 0.000 0.239 352 A C 1.369 179.035 177.584 0.137 0.000 1.080 352 A CA -0.254 51.853 52.037 0.116 0.000 0.779 352 A CB 0.068 19.117 19.000 0.082 0.000 1.026 352 A HN 0.877 nan 8.150 nan 0.000 0.499 353 D N 0.110 120.581 120.400 0.119 0.000 2.310 353 D HA -0.124 4.515 4.640 -0.002 0.000 0.212 353 D C 0.640 177.050 176.300 0.182 0.000 0.965 353 D CA 1.276 55.372 54.000 0.159 0.000 0.879 353 D CB 0.074 40.964 40.800 0.149 0.000 0.921 353 D HN 0.702 nan 8.370 nan 0.000 0.510 354 N N 0.230 118.983 118.700 0.089 0.000 2.295 354 N HA -0.016 4.723 4.740 -0.002 0.000 0.221 354 N C -0.353 175.148 175.510 -0.015 0.000 1.129 354 N CA -0.086 52.951 53.050 -0.021 0.000 0.836 354 N CB 0.489 38.947 38.487 -0.047 0.000 1.040 354 N HN -0.147 nan 8.380 nan 0.000 0.494 355 V N 1.575 121.521 119.914 0.053 0.000 2.435 355 V HA 0.462 4.581 4.120 -0.002 0.000 0.290 355 V C 0.067 176.176 176.094 0.024 0.000 1.030 355 V CA -0.732 61.598 62.300 0.049 0.000 0.881 355 V CB 1.590 33.463 31.823 0.083 0.000 0.983 355 V HN 0.106 nan 8.190 nan 0.000 0.445 356 I N 5.225 125.824 120.570 0.047 0.000 2.436 356 I HA 0.372 4.541 4.170 -0.002 0.000 0.289 356 I C -0.758 175.350 176.117 -0.015 0.000 1.010 356 I CA -0.830 60.497 61.300 0.045 0.000 1.098 356 I CB 1.974 40.064 38.000 0.151 0.000 1.266 356 I HN 0.385 nan 8.210 nan 0.000 0.434 357 L N 6.253 127.381 121.223 -0.159 0.000 2.315 357 L HA 0.242 4.581 4.340 -0.002 0.000 0.283 357 L C 0.126 176.907 176.870 -0.150 0.000 1.089 357 L CA 0.365 55.064 54.840 -0.234 0.000 0.833 357 L CB 0.765 42.565 42.059 -0.432 0.000 1.170 357 L HN 0.619 nan 8.230 nan 0.000 0.442 358 Q N 5.323 125.061 119.800 -0.103 0.000 2.349 358 Q HA 0.509 4.848 4.340 -0.002 0.000 0.254 358 Q C -1.295 174.635 176.000 -0.116 0.000 0.980 358 Q CA -0.191 55.553 55.803 -0.098 0.000 0.924 358 Q CB 0.624 29.314 28.738 -0.079 0.000 1.209 358 Q HN 0.710 nan 8.270 nan 0.000 0.445 359 I N 4.058 124.563 120.570 -0.108 0.000 2.433 359 I HA 0.344 4.513 4.170 -0.002 0.000 0.292 359 I C -0.149 175.962 176.117 -0.010 0.000 1.001 359 I CA -0.946 60.251 61.300 -0.172 0.000 1.119 359 I CB 1.804 39.474 38.000 -0.550 0.000 1.289 359 I HN 0.476 nan 8.210 nan 0.000 0.438 360 K N 4.528 124.903 120.400 -0.042 0.000 2.336 360 K HA 0.034 4.353 4.320 -0.002 0.000 0.262 360 K C 1.168 177.863 176.600 0.157 0.000 0.992 360 K CA -0.201 56.086 56.287 -0.000 0.000 0.927 360 K CB 0.497 32.809 32.500 -0.313 0.000 0.956 360 K HN 0.688 nan 8.250 nan 0.000 0.495 361 N N 0.656 119.507 118.700 0.251 0.000 2.205 361 N HA -0.123 4.616 4.740 -0.002 0.000 0.186 361 N C 0.640 176.345 175.510 0.325 0.000 1.015 361 N CA 1.028 54.284 53.050 0.343 0.000 0.862 361 N CB -0.066 38.697 38.487 0.458 0.000 0.986 361 N HN 0.525 nan 8.380 nan 0.000 0.429 362 G N 0.114 109.009 108.800 0.159 0.000 2.630 362 G HA2 0.459 4.418 3.960 -0.002 0.000 0.296 362 G HA3 0.459 4.418 3.960 -0.002 0.000 0.296 362 G C -2.326 172.497 174.900 -0.129 0.000 1.285 362 G CA -1.185 43.916 45.100 0.002 0.000 0.958 362 G HN -0.074 nan 8.290 nan 0.000 0.479 363 P HA 0.121 nan 4.420 nan 0.000 0.245 363 P C 0.970 178.132 177.300 -0.229 0.000 1.206 363 P CA 0.182 63.072 63.100 -0.350 0.000 0.781 363 P CB 0.587 31.824 31.700 -0.773 0.000 0.994 364 I N 0.358 120.833 120.570 -0.160 0.000 4.682 364 I HA 0.193 4.362 4.170 -0.002 0.000 0.229 364 I C 0.379 176.482 176.117 -0.023 0.000 0.980 364 I CA 1.084 62.359 61.300 -0.042 0.000 1.588 364 I CB -0.930 37.128 38.000 0.096 0.000 1.448 364 I HN -0.075 nan 8.210 nan 0.000 0.457 365 D N -0.699 119.651 120.400 -0.084 0.000 3.361 365 D HA 0.161 4.800 4.640 -0.002 0.000 0.246 365 D C -0.767 175.453 176.300 -0.134 0.000 1.395 365 D CA -0.397 53.496 54.000 -0.179 0.000 0.839 365 D CB -0.263 40.536 40.800 -0.002 0.000 1.469 365 D HN 0.134 nan 8.370 nan 0.000 0.636 366 F N -0.256 119.694 119.950 -0.001 0.000 3.100 366 F HA -0.280 4.246 4.527 -0.002 0.000 0.284 366 F C 0.961 176.735 175.800 -0.043 0.000 0.875 366 F CA 0.555 58.601 58.000 0.078 0.000 1.039 366 F CB -1.815 37.324 39.000 0.231 0.000 1.111 366 F HN 0.364 nan 8.300 nan 0.000 0.575 367 Q N 0.355 120.142 119.800 -0.021 0.000 2.454 367 Q HA 0.087 4.426 4.340 -0.002 0.000 0.247 367 Q C -0.923 175.085 176.000 0.013 0.000 1.028 367 Q CA -1.087 54.630 55.803 -0.143 0.000 0.910 367 Q CB 0.149 28.848 28.738 -0.065 0.000 1.276 367 Q HN 0.024 nan 8.270 nan 0.000 0.489 368 P HA -0.163 nan 4.420 nan 0.000 0.217 368 P C 0.030 177.394 177.300 0.108 0.000 1.151 368 P CA 1.608 64.620 63.100 -0.147 0.000 0.849 368 P CB 0.280 31.714 31.700 -0.443 0.000 0.787 369 R N -0.378 120.186 120.500 0.107 0.000 2.574 369 R HA 0.348 4.687 4.340 -0.002 0.000 0.288 369 R C -1.105 175.351 176.300 0.261 0.000 1.004 369 R CA -0.447 55.751 56.100 0.164 0.000 0.895 369 R CB 1.555 31.930 30.300 0.125 0.000 1.191 369 R HN -0.107 nan 8.270 nan 0.000 0.444 370 E N 4.091 124.359 120.200 0.112 0.000 2.317 370 E HA 0.412 4.761 4.350 -0.002 0.000 0.270 370 E C -2.486 173.973 176.600 -0.235 0.000 0.885 370 E CA -2.279 54.017 56.400 -0.173 0.000 0.760 370 E CB 2.649 32.270 29.700 -0.132 0.000 1.227 370 E HN 0.450 nan 8.360 nan 0.000 0.434 371 P HA 0.045 nan 4.420 nan 0.000 0.272 371 P C -0.436 176.912 177.300 0.080 0.000 1.240 371 P CA -0.279 62.720 63.100 -0.169 0.000 0.791 371 P CB 0.190 31.767 31.700 -0.205 0.000 0.978 372 F N -1.216 118.913 119.950 0.299 0.000 2.506 372 F HA 0.257 4.783 4.527 -0.002 0.000 0.351 372 F C 0.410 176.432 175.800 0.371 0.000 1.136 372 F CA -0.669 57.537 58.000 0.344 0.000 1.298 372 F CB -0.558 38.663 39.000 0.369 0.000 1.145 372 F HN 0.078 nan 8.300 nan 0.000 0.593 373 S N 2.748 118.712 115.700 0.440 0.000 2.555 373 S HA 0.250 4.719 4.470 -0.002 0.000 0.293 373 S C 1.282 175.995 174.600 0.189 0.000 1.248 373 S CA -0.086 58.192 58.200 0.131 0.000 1.096 373 S CB 0.627 63.800 63.200 -0.045 0.000 0.881 373 S HN 0.930 nan 8.310 nan 0.000 0.498 374 A N 4.483 127.197 122.820 -0.176 0.000 2.032 374 A HA -0.111 4.208 4.320 -0.002 0.000 0.221 374 A C 1.940 179.627 177.584 0.173 0.000 1.165 374 A CA 1.198 53.071 52.037 -0.273 0.000 0.645 374 A CB -0.539 17.903 19.000 -0.930 0.000 0.807 374 A HN 0.829 nan 8.150 nan 0.000 0.453 375 L N -1.890 119.394 121.223 0.102 0.000 2.081 375 L HA -0.240 4.099 4.340 -0.002 0.000 0.212 375 L C 2.369 179.253 176.870 0.024 0.000 1.080 375 L CA 1.410 56.255 54.840 0.008 0.000 0.754 375 L CB -0.574 41.356 42.059 -0.215 0.000 0.893 375 L HN 0.414 nan 8.230 nan 0.000 0.433 376 F N -0.197 119.886 119.950 0.221 0.000 2.161 376 F HA -0.222 4.304 4.527 -0.002 0.000 0.300 376 F C 2.425 178.421 175.800 0.326 0.000 1.089 376 F CA 1.253 59.385 58.000 0.220 0.000 1.282 376 F CB -0.734 38.380 39.000 0.190 0.000 1.010 376 F HN 0.037 nan 8.300 nan 0.000 0.485 377 A N -0.961 122.194 122.820 0.559 0.000 2.267 377 A HA 0.392 4.711 4.320 -0.002 0.000 0.213 377 A C 2.301 180.154 177.584 0.448 0.000 1.192 377 A CA 0.899 53.263 52.037 0.545 0.000 0.851 377 A CB -0.877 18.459 19.000 0.559 0.000 0.881 377 A HN 0.357 nan 8.150 nan 0.000 0.494 378 G N -1.410 107.554 108.800 0.273 0.000 2.743 378 G HA2 0.261 4.220 3.960 -0.002 0.000 0.206 378 G HA3 0.261 4.220 3.960 -0.002 0.000 0.206 378 G C 0.603 175.405 174.900 -0.164 0.000 1.115 378 G CA -0.173 44.995 45.100 0.113 0.000 0.782 378 G HN 0.264 nan 8.290 nan 0.000 0.524 379 M N 2.648 122.108 119.600 -0.232 0.000 2.108 379 M HA 0.246 4.725 4.480 -0.002 0.000 0.347 379 M C 0.896 176.770 176.300 -0.709 0.000 1.326 379 M CA -0.084 55.022 55.300 -0.324 0.000 1.126 379 M CB 0.999 33.493 32.600 -0.177 0.000 1.606 379 M HN 0.203 nan 8.290 nan 0.000 0.462 380 S N 2.764 118.055 115.700 -0.681 0.000 2.523 380 S HA 0.242 4.711 4.470 -0.002 0.000 0.217 380 S C 1.003 175.439 174.600 -0.274 0.000 0.996 380 S CA -0.373 57.318 58.200 -0.849 0.000 0.921 380 S CB 0.433 63.290 63.200 -0.572 0.000 0.829 380 S HN 0.776 nan 8.310 nan 0.000 0.495 381 R N 0.818 121.224 120.500 -0.157 0.000 2.616 381 R HA 0.328 4.667 4.340 -0.002 0.000 0.427 381 R C -0.952 175.360 176.300 0.020 0.000 1.030 381 R CA -0.035 56.045 56.100 -0.034 0.000 1.133 381 R CB 1.217 31.506 30.300 -0.019 0.000 1.444 381 R HN 0.199 nan 8.270 nan 0.000 0.578 382 T N 0.492 115.049 114.554 0.004 0.000 2.916 382 T HA 0.282 4.630 4.350 -0.002 0.000 0.298 382 T C -0.593 174.122 174.700 0.025 0.000 1.031 382 T CA -0.879 61.247 62.100 0.044 0.000 0.993 382 T CB 1.799 70.692 68.868 0.042 0.000 1.045 382 T HN 0.023 nan 8.240 nan 0.000 0.454 383 N N 2.965 121.693 118.700 0.047 0.000 2.492 383 N HA 0.308 5.046 4.740 -0.002 0.000 0.262 383 N C -0.459 175.065 175.510 0.024 0.000 1.202 383 N CA 0.376 53.471 53.050 0.074 0.000 0.926 383 N CB 0.426 38.995 38.487 0.136 0.000 1.078 383 N HN 0.564 nan 8.380 nan 0.000 0.454 384 M N 1.719 121.358 119.600 0.065 0.000 2.619 384 M HA 0.544 5.023 4.480 -0.002 0.000 0.297 384 M C -0.263 176.084 176.300 0.078 0.000 1.229 384 M CA -0.730 54.604 55.300 0.056 0.000 0.860 384 M CB 2.325 35.004 32.600 0.131 0.000 1.741 384 M HN 0.434 nan 8.290 nan 0.000 0.462 385 M N 1.030 120.663 119.600 0.055 0.000 2.520 385 M HA 0.686 5.165 4.480 -0.002 0.000 0.283 385 M C -1.546 174.780 176.300 0.044 0.000 1.237 385 M CA -0.974 54.327 55.300 0.002 0.000 0.885 385 M CB 2.468 34.996 32.600 -0.118 0.000 1.727 385 M HN 0.692 nan 8.290 nan 0.000 0.468 386 M N 2.152 121.713 119.600 -0.066 0.000 2.274 386 M HA 0.403 4.882 4.480 -0.002 0.000 0.344 386 M C -0.891 175.283 176.300 -0.210 0.000 1.161 386 M CA 0.547 55.758 55.300 -0.148 0.000 1.126 386 M CB 1.091 33.385 32.600 -0.509 0.000 1.522 386 M HN 0.796 nan 8.290 nan 0.000 0.461 387 E N 4.110 124.217 120.200 -0.156 0.000 2.182 387 E HA 0.382 4.731 4.350 -0.002 0.000 0.258 387 E C -1.851 174.773 176.600 0.040 0.000 0.879 387 E CA -0.283 56.081 56.400 -0.059 0.000 0.754 387 E CB 0.775 30.522 29.700 0.078 0.000 1.162 387 E HN 0.723 nan 8.360 nan 0.000 0.419 388 F N 2.028 121.968 119.950 -0.016 0.000 2.470 388 F HA 0.329 4.855 4.527 -0.002 0.000 0.329 388 F C 0.472 175.961 175.800 -0.519 0.000 1.072 388 F CA -0.993 56.924 58.000 -0.137 0.000 0.989 388 F CB 2.000 40.739 39.000 -0.435 0.000 1.193 388 F HN 0.351 nan 8.300 nan 0.000 0.481 389 Q N 1.857 121.358 119.800 -0.498 0.000 2.307 389 Q HA 0.370 4.709 4.340 -0.002 0.000 0.262 389 Q C -0.360 175.451 176.000 -0.316 0.000 0.961 389 Q CA -0.380 54.925 55.803 -0.829 0.000 0.882 389 Q CB 1.528 29.404 28.738 -1.437 0.000 1.264 389 Q HN 0.699 nan 8.270 nan 0.000 0.446 390 I N 1.335 121.687 120.570 -0.364 0.000 2.947 390 I HA 0.001 4.170 4.170 -0.002 0.000 0.263 390 I C 1.132 177.141 176.117 -0.180 0.000 1.130 390 I CA 0.445 61.631 61.300 -0.189 0.000 1.448 390 I CB 0.184 38.030 38.000 -0.256 0.000 1.222 390 I HN 0.557 nan 8.210 nan 0.000 0.453 391 T N 1.868 116.264 114.554 -0.263 0.000 2.946 391 T HA -0.045 4.304 4.350 -0.002 0.000 0.311 391 T C 0.412 175.113 174.700 0.003 0.000 1.063 391 T CA 0.148 62.182 62.100 -0.110 0.000 1.139 391 T CB 0.212 68.937 68.868 -0.238 0.000 0.994 391 T HN 0.236 nan 8.240 nan 0.000 0.547 392 Q N 3.419 123.302 119.800 0.139 0.000 3.122 392 Q HA 0.108 4.447 4.340 -0.002 0.000 0.360 392 Q C 1.372 177.426 176.000 0.089 0.000 1.300 392 Q CA -0.209 55.666 55.803 0.120 0.000 0.982 392 Q CB 0.265 29.065 28.738 0.104 0.000 1.534 392 Q HN 0.831 nan 8.270 nan 0.000 0.474 393 E N 0.208 120.462 120.200 0.091 0.000 2.097 393 E HA -0.225 4.124 4.350 -0.002 0.000 0.196 393 E C 0.235 176.647 176.600 -0.314 0.000 1.000 393 E CA 1.476 57.833 56.400 -0.073 0.000 0.804 393 E CB 0.249 29.771 29.700 -0.296 0.000 0.740 393 E HN 0.545 nan 8.360 nan 0.000 0.454 394 Y N -2.338 117.947 120.300 -0.026 0.000 2.500 394 Y HA 0.227 4.777 4.550 -0.001 0.000 0.246 394 Y C 0.251 175.938 175.900 -0.355 0.000 1.146 394 Y CA -0.283 57.609 58.100 -0.348 0.000 1.230 394 Y CB 0.651 38.820 38.460 -0.486 0.000 1.214 394 Y HN -0.004 nan 8.280 nan 0.000 0.526 395 F N -0.359 119.569 119.950 -0.035 0.000 2.698 395 F HA 0.509 5.035 4.527 -0.002 0.000 0.304 395 F C 1.221 176.866 175.800 -0.258 0.000 1.108 395 F CA -0.044 57.870 58.000 -0.143 0.000 1.263 395 F CB 1.000 39.927 39.000 -0.123 0.000 1.013 395 F HN 0.013 nan 8.300 nan 0.000 0.532 396 G N -0.360 108.323 108.800 -0.195 0.000 2.173 396 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.174 396 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.174 396 G C 0.350 175.277 174.900 0.045 0.000 1.025 396 G CA -0.429 44.359 45.100 -0.519 0.000 0.706 396 G HN 0.051 nan 8.290 nan 0.000 0.499 397 F N -1.654 118.101 119.950 -0.325 0.000 2.512 397 F HA -0.315 4.210 4.527 -0.002 0.000 0.290 397 F C 2.183 177.916 175.800 -0.111 0.000 1.459 397 F CA 1.535 59.124 58.000 -0.686 0.000 1.366 397 F CB -1.838 36.838 39.000 -0.540 0.000 3.242 397 F HN 1.205 nan 8.300 nan 0.000 0.190 398 A N -0.563 122.466 122.820 0.348 0.000 2.423 398 A HA 0.437 4.756 4.320 -0.002 0.000 0.246 398 A C 1.236 179.103 177.584 0.472 0.000 1.278 398 A CA 1.041 53.316 52.037 0.396 0.000 0.903 398 A CB -0.701 18.518 19.000 0.365 0.000 0.997 398 A HN 0.882 nan 8.150 nan 0.000 0.510 399 T N -3.730 111.122 114.554 0.497 0.000 2.990 399 T HA 0.219 4.568 4.350 -0.002 0.000 0.250 399 T C 0.524 175.504 174.700 0.466 0.000 1.041 399 T CA 0.096 62.485 62.100 0.481 0.000 1.010 399 T CB -0.279 68.860 68.868 0.451 0.000 1.003 399 T HN 0.529 nan 8.240 nan 0.000 0.499 400 H N 0.550 119.751 119.070 0.219 0.000 2.463 400 H HA 0.487 5.042 4.556 -0.002 0.000 0.332 400 H C -0.875 174.337 175.328 -0.194 0.000 1.127 400 H CA -0.967 55.126 56.048 0.076 0.000 1.238 400 H CB 2.292 32.109 29.762 0.092 0.000 1.478 400 H HN 0.110 nan 8.280 nan 0.000 0.499 401 L N 2.579 123.732 121.223 -0.117 0.000 2.278 401 L HA 0.420 4.759 4.340 -0.002 0.000 0.287 401 L C -0.518 176.237 176.870 -0.192 0.000 1.072 401 L CA -0.316 54.295 54.840 -0.382 0.000 0.819 401 L CB 0.125 41.965 42.059 -0.364 0.000 1.176 401 L HN 0.738 nan 8.230 nan 0.000 0.435 402 A N 4.819 127.513 122.820 -0.209 0.000 3.005 402 A HA 0.171 4.490 4.320 -0.002 0.000 0.308 402 A C -1.174 176.254 177.584 -0.260 0.000 1.173 402 A CA -0.477 51.433 52.037 -0.212 0.000 0.796 402 A CB 0.054 18.927 19.000 -0.210 0.000 1.325 402 A HN 0.615 nan 8.150 nan 0.000 0.467 403 Y N 1.862 121.982 120.300 -0.300 0.000 2.729 403 Y HA 0.124 4.672 4.550 -0.002 0.000 0.331 403 Y C 0.912 176.523 175.900 -0.482 0.000 1.208 403 Y CA 0.425 58.338 58.100 -0.312 0.000 1.521 403 Y CB 0.730 39.071 38.460 -0.199 0.000 1.233 403 Y HN 0.642 nan 8.280 nan 0.000 0.539 404 Q N 4.517 123.812 119.800 -0.842 0.000 2.360 404 Q HA 0.096 4.435 4.340 -0.002 0.000 0.202 404 Q C 2.121 177.121 176.000 -1.667 0.000 0.915 404 Q CA 0.674 55.726 55.803 -1.252 0.000 0.943 404 Q CB 0.124 28.129 28.738 -1.221 0.000 1.064 404 Q HN 1.110 nan 8.270 nan 0.000 0.511 405 G N 2.649 110.381 108.800 -1.780 0.000 2.556 405 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.220 405 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.220 405 G C -1.030 173.379 174.900 -0.817 0.000 1.156 405 G CA 0.713 45.028 45.100 -1.308 0.000 0.766 405 G HN 0.361 nan 8.290 nan 0.000 0.583 406 P HA 0.004 nan 4.420 nan 0.000 0.219 406 P C 2.011 179.097 177.300 -0.356 0.000 1.150 406 P CA 0.421 63.286 63.100 -0.392 0.000 0.814 406 P CB -0.060 31.466 31.700 -0.290 0.000 0.787 407 L N -1.941 118.970 121.223 -0.520 0.000 2.027 407 L HA -0.141 4.198 4.340 -0.002 0.000 0.206 407 L C 2.011 178.731 176.870 -0.251 0.000 1.074 407 L CA 1.692 56.319 54.840 -0.355 0.000 0.745 407 L CB -0.586 41.221 42.059 -0.420 0.000 0.898 407 L HN -0.154 nan 8.230 nan 0.000 0.433 408 F N 0.577 120.225 119.950 -0.505 0.000 2.102 408 F HA -0.214 4.312 4.527 -0.002 0.000 0.298 408 F C 2.626 178.262 175.800 -0.273 0.000 1.105 408 F CA 1.546 59.114 58.000 -0.719 0.000 1.239 408 F CB -1.230 37.251 39.000 -0.865 0.000 0.991 408 F HN 0.270 nan 8.300 nan 0.000 0.474 409 E N 0.479 120.645 120.200 -0.058 0.000 2.058 409 E HA -0.284 4.065 4.350 -0.002 0.000 0.194 409 E C 2.239 178.848 176.600 0.015 0.000 0.997 409 E CA 1.488 57.880 56.400 -0.014 0.000 0.801 409 E CB -0.221 29.449 29.700 -0.049 0.000 0.746 409 E HN 0.542 nan 8.360 nan 0.000 0.450 410 E N -0.011 120.187 120.200 -0.004 0.000 2.070 410 E HA -0.219 4.130 4.350 -0.002 0.000 0.197 410 E C 2.125 178.778 176.600 0.088 0.000 1.004 410 E CA 1.694 58.115 56.400 0.035 0.000 0.805 410 E CB -0.122 29.592 29.700 0.023 0.000 0.744 410 E HN 0.104 nan 8.360 nan 0.000 0.451 411 S N 0.331 116.115 115.700 0.141 0.000 2.353 411 S HA -0.132 4.337 4.470 -0.002 0.000 0.222 411 S C 1.941 176.605 174.600 0.105 0.000 1.035 411 S CA 1.301 59.623 58.200 0.204 0.000 1.025 411 S CB -0.285 63.166 63.200 0.419 0.000 0.902 411 S HN 0.287 nan 8.310 nan 0.000 0.440 412 L N 0.809 122.107 121.223 0.125 0.000 2.131 412 L HA -0.060 4.279 4.340 -0.002 0.000 0.210 412 L C 1.961 178.818 176.870 -0.022 0.000 1.092 412 L CA 1.152 56.012 54.840 0.033 0.000 0.759 412 L CB -0.329 41.792 42.059 0.104 0.000 0.903 412 L HN 0.202 nan 8.230 nan 0.000 0.435 413 K N -0.764 119.641 120.400 0.009 0.000 2.417 413 K HA 0.092 4.411 4.320 -0.002 0.000 0.196 413 K C 0.253 176.832 176.600 -0.034 0.000 1.023 413 K CA -0.050 56.231 56.287 -0.010 0.000 1.122 413 K CB 0.164 32.670 32.500 0.010 0.000 0.850 413 K HN 0.130 nan 8.250 nan 0.000 0.521 414 T N 2.176 116.705 114.554 -0.041 0.000 2.799 414 T HA -0.001 4.348 4.350 -0.002 0.000 0.296 414 T C -0.068 174.528 174.700 -0.173 0.000 0.947 414 T CA 0.057 62.132 62.100 -0.042 0.000 1.141 414 T CB 0.735 69.616 68.868 0.022 0.000 0.891 414 T HN 0.115 nan 8.240 nan 0.000 0.533 415 E N 2.364 122.471 120.200 -0.155 0.000 2.290 415 E HA 0.142 4.491 4.350 -0.002 0.000 0.277 415 E C 1.207 177.603 176.600 -0.340 0.000 1.035 415 E CA -0.130 56.097 56.400 -0.289 0.000 0.873 415 E CB 0.635 30.135 29.700 -0.333 0.000 1.029 415 E HN 0.665 nan 8.360 nan 0.000 0.419 416 T N 1.126 115.430 114.554 -0.417 0.000 3.014 416 T HA 0.019 4.368 4.350 -0.002 0.000 0.250 416 T C 0.282 174.977 174.700 -0.008 0.000 1.060 416 T CA 0.365 62.279 62.100 -0.309 0.000 1.040 416 T CB -0.293 68.320 68.868 -0.425 0.000 0.971 416 T HN 0.691 nan 8.240 nan 0.000 0.497 417 H N 0.211 119.239 119.070 -0.071 0.000 2.822 417 H HA -0.201 4.354 4.556 -0.002 0.000 0.295 417 H C 1.618 176.948 175.328 0.005 0.000 1.151 417 H CA 0.542 56.568 56.048 -0.037 0.000 1.151 417 H CB -1.787 27.955 29.762 -0.032 0.000 1.343 417 H HN 0.660 nan 8.280 nan 0.000 0.382 418 A N 0.763 123.627 122.820 0.072 0.000 1.933 418 A HA -0.072 4.247 4.320 -0.002 0.000 0.218 418 A C 1.757 179.393 177.584 0.088 0.000 1.175 418 A CA 1.675 53.794 52.037 0.136 0.000 0.628 418 A CB 0.096 19.190 19.000 0.156 0.000 0.814 418 A HN 0.371 nan 8.150 nan 0.000 0.444 419 R N -1.532 118.951 120.500 -0.028 0.000 2.754 419 R HA 0.443 4.782 4.340 -0.002 0.000 0.255 419 R C 0.014 176.290 176.300 -0.040 0.000 1.723 419 R CA 0.450 56.532 56.100 -0.029 0.000 1.596 419 R CB -0.160 30.078 30.300 -0.103 0.000 1.424 419 R HN 1.062 nan 8.270 nan 0.000 0.662 420 G N 1.717 110.523 108.800 0.011 0.000 2.795 420 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.664 420 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.664 420 G C -0.551 174.343 174.900 -0.011 0.000 1.381 420 G CA -0.133 44.975 45.100 0.015 0.000 0.853 420 G HN 0.646 nan 8.290 nan 0.000 0.545 421 E N 0.029 120.229 120.200 -0.001 0.000 2.398 421 E HA 0.459 4.808 4.350 -0.002 0.000 0.263 421 E C 1.309 177.849 176.600 -0.100 0.000 1.046 421 E CA 0.551 56.913 56.400 -0.062 0.000 0.908 421 E CB 0.473 30.166 29.700 -0.011 0.000 0.963 421 E HN 2.531 nan 8.360 nan 0.000 0.431 422 G N 2.638 111.350 108.800 -0.147 0.000 2.157 422 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.239 422 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.239 422 G C 0.235 175.035 174.900 -0.168 0.000 0.982 422 G CA 0.187 45.209 45.100 -0.131 0.000 0.650 422 G HN 0.477 nan 8.290 nan 0.000 0.527 423 S N 2.164 117.737 115.700 -0.211 0.000 3.811 423 S HA 0.415 4.884 4.470 -0.002 0.000 0.205 423 S C 1.085 175.522 174.600 -0.272 0.000 1.445 423 S CA 0.510 58.564 58.200 -0.243 0.000 1.097 423 S CB -0.151 62.913 63.200 -0.227 0.000 1.350 423 S HN 1.048 nan 8.310 nan 0.000 0.471 424 T N -0.668 113.740 114.554 -0.243 0.000 2.813 424 T HA 0.308 4.657 4.350 -0.002 0.000 0.297 424 T C 1.577 176.097 174.700 -0.300 0.000 1.036 424 T CA -0.788 61.161 62.100 -0.252 0.000 1.044 424 T CB 0.472 69.236 68.868 -0.174 0.000 0.993 424 T HN 0.075 nan 8.240 nan 0.000 0.535 425 I N 1.716 122.086 120.570 -0.333 0.000 2.208 425 I HA -0.101 4.068 4.170 -0.002 0.000 0.245 425 I C 2.758 178.616 176.117 -0.432 0.000 1.097 425 I CA 1.961 63.017 61.300 -0.406 0.000 1.363 425 I CB -1.946 35.812 38.000 -0.404 0.000 1.051 425 I HN 0.986 nan 8.210 nan 0.000 0.413 426 G N 0.931 109.482 108.800 -0.414 0.000 2.418 426 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.217 426 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.217 426 G C 1.494 175.854 174.900 -0.899 0.000 1.158 426 G CA 0.601 45.237 45.100 -0.773 0.000 0.771 426 G HN 0.326 nan 8.290 nan 0.000 0.545 427 N N 0.530 118.957 118.700 -0.455 0.000 2.188 427 N HA -0.009 4.729 4.740 -0.002 0.000 0.184 427 N C 2.214 177.566 175.510 -0.262 0.000 1.018 427 N CA 0.566 53.454 53.050 -0.270 0.000 0.858 427 N CB -0.205 38.181 38.487 -0.167 0.000 0.989 427 N HN 0.366 nan 8.380 nan 0.000 0.426 428 I N 0.753 121.155 120.570 -0.280 0.000 2.179 428 I HA -0.243 3.926 4.170 -0.002 0.000 0.242 428 I C 2.001 178.037 176.117 -0.134 0.000 1.088 428 I CA 0.860 62.044 61.300 -0.193 0.000 1.357 428 I CB -0.220 37.706 38.000 -0.123 0.000 1.051 428 I HN 0.070 nan 8.210 nan 0.000 0.409 429 L N 0.259 121.338 121.223 -0.240 0.000 2.042 429 L HA -0.246 4.093 4.340 -0.002 0.000 0.210 429 L C 2.528 179.314 176.870 -0.140 0.000 1.076 429 L CA 1.505 56.228 54.840 -0.194 0.000 0.749 429 L CB -0.634 41.243 42.059 -0.302 0.000 0.893 429 L HN 0.315 nan 8.230 nan 0.000 0.432 430 E N 0.007 120.092 120.200 -0.193 0.000 2.333 430 E HA -0.174 4.175 4.350 -0.002 0.000 0.198 430 E C 1.461 178.030 176.600 -0.051 0.000 1.007 430 E CA 0.796 57.147 56.400 -0.082 0.000 0.845 430 E CB 0.025 29.725 29.700 0.000 0.000 0.766 430 E HN 0.538 nan 8.360 nan 0.000 0.507 431 G N 0.568 109.338 108.800 -0.050 0.000 2.176 431 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.232 431 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.232 431 G C 0.850 175.736 174.900 -0.024 0.000 0.986 431 G CA 0.419 45.515 45.100 -0.007 0.000 0.643 431 G HN 0.276 nan 8.290 nan 0.000 0.522 432 K N -0.101 120.260 120.400 -0.064 0.000 2.296 432 K HA 0.254 4.573 4.320 -0.002 0.000 0.200 432 K C 2.375 178.904 176.600 -0.118 0.000 1.048 432 K CA 1.170 57.413 56.287 -0.074 0.000 0.966 432 K CB 0.114 32.570 32.500 -0.075 0.000 0.754 432 K HN 0.348 nan 8.250 nan 0.000 0.466 433 V N 0.175 119.964 119.914 -0.208 0.000 2.302 433 V HA -0.131 3.988 4.120 -0.002 0.000 0.243 433 V C 1.411 177.268 176.094 -0.395 0.000 1.036 433 V CA 1.566 63.624 62.300 -0.403 0.000 1.020 433 V CB -0.248 31.172 31.823 -0.672 0.000 0.657 433 V HN 0.140 nan 8.190 nan 0.000 0.453 434 F N -0.289 119.660 119.950 -0.001 0.000 2.678 434 F HA 0.375 4.901 4.527 -0.002 0.000 0.305 434 F C 0.822 176.627 175.800 0.007 0.000 1.090 434 F CA -0.714 57.292 58.000 0.011 0.000 1.272 434 F CB 0.014 39.028 39.000 0.024 0.000 1.060 434 F HN -0.012 nan 8.300 nan 0.000 0.576 435 K N 1.500 121.980 120.400 0.133 0.000 3.585 435 K HA -0.148 4.171 4.320 -0.002 0.000 0.275 435 K C 0.020 176.666 176.600 0.077 0.000 1.026 435 K CA 0.840 57.171 56.287 0.074 0.000 0.800 435 K CB -2.576 29.958 32.500 0.056 0.000 1.401 435 K HN 0.469 nan 8.250 nan 0.000 0.453 436 T N -3.021 111.581 114.554 0.079 0.000 2.937 436 T HA 0.622 4.971 4.350 -0.002 0.000 0.283 436 T C 1.278 175.984 174.700 0.009 0.000 1.012 436 T CA -0.919 61.219 62.100 0.063 0.000 0.997 436 T CB 2.035 70.963 68.868 0.099 0.000 1.136 436 T HN 0.297 nan 8.240 nan 0.000 0.551 437 R N -0.988 119.496 120.500 -0.027 0.000 2.142 437 R HA 0.211 4.550 4.340 -0.002 0.000 0.204 437 R C 0.117 176.246 176.300 -0.285 0.000 1.059 437 R CA 0.281 56.276 56.100 -0.175 0.000 1.055 437 R CB 0.045 30.194 30.300 -0.252 0.000 0.976 437 R HN 0.666 nan 8.270 nan 0.000 0.483 438 H N 0.345 119.484 119.070 0.115 0.000 2.504 438 H HA 0.267 4.822 4.556 -0.002 0.000 0.322 438 H C -0.401 175.031 175.328 0.173 0.000 1.055 438 H CA -0.404 55.756 56.048 0.187 0.000 1.231 438 H CB 1.486 31.398 29.762 0.250 0.000 1.417 438 H HN 0.070 nan 8.280 nan 0.000 0.472 439 T N 0.883 115.598 114.554 0.269 0.000 2.930 439 T HA 0.879 5.228 4.350 -0.002 0.000 0.290 439 T C 0.338 175.142 174.700 0.174 0.000 1.052 439 T CA -0.635 61.556 62.100 0.152 0.000 1.017 439 T CB 2.378 71.272 68.868 0.043 0.000 1.137 439 T HN 0.757 nan 8.240 nan 0.000 0.511 440 G N 0.008 108.840 108.800 0.055 0.000 2.349 440 G HA2 0.517 4.476 3.960 -0.002 0.000 0.294 440 G HA3 0.517 4.476 3.960 -0.002 0.000 0.294 440 G C -2.038 172.809 174.900 -0.089 0.000 1.380 440 G CA -0.841 44.260 45.100 0.001 0.000 0.811 440 G HN 1.002 nan 8.290 nan 0.000 0.519 441 M N 0.170 119.709 119.600 -0.102 0.000 2.365 441 M HA 0.690 5.169 4.480 -0.002 0.000 0.287 441 M C -1.388 174.931 176.300 0.031 0.000 1.154 441 M CA -0.709 54.538 55.300 -0.088 0.000 0.941 441 M CB 1.985 34.519 32.600 -0.109 0.000 1.704 441 M HN 1.404 nan 8.290 nan 0.000 0.479 442 A N 2.590 125.410 122.820 -0.001 0.000 2.365 442 A HA 0.931 5.250 4.320 -0.002 0.000 0.318 442 A C -0.475 176.966 177.584 -0.239 0.000 1.091 442 A CA -0.497 51.497 52.037 -0.072 0.000 0.763 442 A CB 1.634 20.497 19.000 -0.227 0.000 1.248 442 A HN 0.943 nan 8.150 nan 0.000 0.442 443 G N 0.476 108.838 108.800 -0.731 0.000 2.644 443 G HA2 0.512 4.471 3.960 -0.002 0.000 0.300 443 G HA3 0.512 4.471 3.960 -0.002 0.000 0.300 443 G C -0.880 173.464 174.900 -0.926 0.000 1.395 443 G CA -0.343 43.944 45.100 -1.355 0.000 0.964 443 G HN 0.770 nan 8.290 nan 0.000 0.511 444 V N 4.735 124.177 119.914 -0.786 0.000 2.364 444 V HA 0.071 4.190 4.120 -0.002 0.000 0.252 444 V C 1.473 177.050 176.094 -0.861 0.000 1.075 444 V CA 0.050 61.822 62.300 -0.881 0.000 1.033 444 V CB -0.276 30.883 31.823 -1.107 0.000 1.116 444 V HN 0.773 nan 8.190 nan 0.000 0.488 445 I N 1.116 121.161 120.570 -0.874 0.000 2.867 445 I HA 0.229 4.398 4.170 -0.002 0.000 0.265 445 I C 0.891 176.625 176.117 -0.639 0.000 1.162 445 I CA 0.005 60.814 61.300 -0.818 0.000 1.471 445 I CB -0.238 37.048 38.000 -1.189 0.000 1.123 445 I HN 0.529 nan 8.210 nan 0.000 0.440 446 N N 1.739 120.043 118.700 -0.660 0.000 2.699 446 N HA -0.125 4.614 4.740 -0.002 0.000 0.256 446 N C -2.169 173.203 175.510 -0.229 0.000 0.993 446 N CA 0.957 53.762 53.050 -0.410 0.000 0.759 446 N CB -1.478 36.747 38.487 -0.437 0.000 0.906 446 N HN 0.504 nan 8.380 nan 0.000 0.541 447 P HA 0.499 nan 4.420 nan 0.000 0.279 447 P C 0.608 177.934 177.300 0.044 0.000 1.282 447 P CA -0.068 63.065 63.100 0.055 0.000 0.788 447 P CB 1.188 33.035 31.700 0.245 0.000 1.139 448 G N -1.756 107.088 108.800 0.073 0.000 2.706 448 G HA2 0.387 4.346 3.960 -0.002 0.000 0.307 448 G HA3 0.387 4.346 3.960 -0.002 0.000 0.307 448 G C 0.453 175.292 174.900 -0.102 0.000 1.307 448 G CA 0.042 45.110 45.100 -0.054 0.000 0.790 448 G HN 0.439 nan 8.290 nan 0.000 0.503 449 T N -1.173 113.295 114.554 -0.144 0.000 3.113 449 T HA 0.089 4.438 4.350 -0.002 0.000 0.263 449 T C 0.337 174.945 174.700 -0.155 0.000 1.143 449 T CA 0.646 62.633 62.100 -0.187 0.000 1.090 449 T CB -0.275 68.508 68.868 -0.143 0.000 0.922 449 T HN 0.249 nan 8.240 nan 0.000 0.521 450 D N 1.803 122.155 120.400 -0.080 0.000 2.506 450 D HA 0.127 4.766 4.640 -0.002 0.000 0.234 450 D C 1.264 177.513 176.300 -0.086 0.000 1.143 450 D CA -0.171 53.809 54.000 -0.034 0.000 0.871 450 D CB 0.601 41.428 40.800 0.046 0.000 1.190 450 D HN 0.019 nan 8.370 nan 0.000 0.459 451 R N 2.285 122.758 120.500 -0.045 0.000 2.117 451 R HA -0.173 4.166 4.340 -0.002 0.000 0.243 451 R C 1.007 177.327 176.300 0.034 0.000 1.143 451 R CA 1.602 57.685 56.100 -0.028 0.000 0.968 451 R CB -0.331 29.974 30.300 0.009 0.000 0.863 451 R HN 0.525 nan 8.270 nan 0.000 0.444 452 N N -1.534 117.227 118.700 0.101 0.000 2.268 452 N HA -0.038 4.701 4.740 -0.002 0.000 0.204 452 N C -0.134 175.628 175.510 0.420 0.000 1.124 452 N CA 0.564 53.760 53.050 0.242 0.000 0.838 452 N CB -0.325 38.284 38.487 0.202 0.000 0.994 452 N HN 0.389 nan 8.380 nan 0.000 0.489 453 W N -0.949 120.411 121.300 0.101 0.000 1.002 453 W HA -0.326 4.335 4.660 0.002 0.000 0.223 453 W C 1.410 178.043 176.519 0.189 0.000 0.933 453 W CA 1.993 59.423 57.345 0.142 0.000 0.361 453 W CB -1.952 27.602 29.460 0.157 0.000 1.930 453 W HN 0.437 nan 8.180 nan 0.000 1.341 454 T N -3.858 110.945 114.554 0.415 0.000 3.040 454 T HA 0.592 4.941 4.350 -0.002 0.000 0.266 454 T C 1.545 176.423 174.700 0.296 0.000 1.005 454 T CA 1.187 63.498 62.100 0.352 0.000 0.906 454 T CB 0.529 69.632 68.868 0.393 0.000 1.082 454 T HN 1.370 nan 8.240 nan 0.000 0.531 455 G N 1.962 110.918 108.800 0.259 0.000 5.347 455 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.299 455 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.299 455 G C -0.033 175.024 174.900 0.261 0.000 1.492 455 G CA 0.147 45.391 45.100 0.239 0.000 0.991 455 G HN 0.949 nan 8.290 nan 0.000 0.749 456 H N 3.846 123.054 119.070 0.230 0.000 2.690 456 H HA 0.480 5.035 4.556 -0.001 0.000 0.314 456 H C -0.998 174.497 175.328 0.277 0.000 1.069 456 H CA -1.066 55.126 56.048 0.240 0.000 1.436 456 H CB 1.695 31.598 29.762 0.236 0.000 1.462 456 H HN 0.124 nan 8.280 nan 0.000 0.511 457 P HA -0.216 nan 4.420 nan 0.000 0.216 457 P C 0.623 178.225 177.300 0.504 0.000 1.150 457 P CA 1.338 64.687 63.100 0.416 0.000 0.843 457 P CB 0.069 31.997 31.700 0.380 0.000 0.787 458 F N -1.670 118.635 119.950 0.592 0.000 2.661 458 F HA -0.060 4.466 4.527 -0.002 0.000 0.298 458 F C 2.096 177.908 175.800 0.021 0.000 1.137 458 F CA 0.547 58.694 58.000 0.245 0.000 1.454 458 F CB -0.950 38.116 39.000 0.110 0.000 1.103 458 F HN -0.266 nan 8.300 nan 0.000 0.577 459 V N -0.336 119.738 119.914 0.267 0.000 2.594 459 V HA -0.298 3.821 4.120 -0.002 0.000 0.253 459 V C 2.117 178.335 176.094 0.206 0.000 1.069 459 V CA 1.612 64.020 62.300 0.181 0.000 1.082 459 V CB -0.717 31.240 31.823 0.223 0.000 0.680 459 V HN 0.366 nan 8.190 nan 0.000 0.469 460 Q N 0.652 120.606 119.800 0.255 0.000 2.112 460 Q HA -0.239 4.100 4.340 -0.002 0.000 0.206 460 Q C 2.489 178.507 176.000 0.031 0.000 0.987 460 Q CA 2.186 58.197 55.803 0.347 0.000 0.858 460 Q CB -0.420 28.629 28.738 0.519 0.000 0.905 460 Q HN 0.814 nan 8.270 nan 0.000 0.420 461 S N -0.138 115.111 115.700 -0.750 0.000 2.399 461 S HA -0.120 4.349 4.470 -0.002 0.000 0.231 461 S C 2.057 176.515 174.600 -0.237 0.000 1.022 461 S CA 1.336 58.715 58.200 -1.369 0.000 0.983 461 S CB -0.219 61.781 63.200 -2.000 0.000 0.803 461 S HN 0.177 nan 8.310 nan 0.000 0.480 462 S N 0.584 116.281 115.700 -0.005 0.000 2.368 462 S HA -0.030 4.439 4.470 -0.002 0.000 0.224 462 S C 1.284 176.061 174.600 0.295 0.000 1.029 462 S CA 0.898 59.165 58.200 0.112 0.000 0.988 462 S CB -0.607 62.594 63.200 0.001 0.000 0.838 462 S HN 0.789 nan 8.310 nan 0.000 0.462 463 W N 1.866 123.219 121.300 0.088 0.000 2.338 463 W HA -0.177 4.482 4.660 -0.003 0.000 0.304 463 W C 2.006 178.578 176.519 0.089 0.000 1.212 463 W CA 0.957 58.385 57.345 0.138 0.000 1.264 463 W CB -1.267 28.313 29.460 0.200 0.000 1.142 463 W HN 0.386 nan 8.180 nan 0.000 0.512 464 Y N 1.174 121.449 120.300 -0.041 0.000 2.097 464 Y HA -0.207 4.342 4.550 -0.002 0.000 0.282 464 Y C 2.633 178.395 175.900 -0.229 0.000 1.152 464 Y CA 3.493 61.268 58.100 -0.542 0.000 1.136 464 Y CB -1.026 36.959 38.460 -0.792 0.000 0.975 464 Y HN -0.060 nan 8.280 nan 0.000 0.498 465 A N -0.087 122.769 122.820 0.060 0.000 1.902 465 A HA -0.233 4.086 4.320 -0.002 0.000 0.217 465 A C 2.185 179.775 177.584 0.010 0.000 1.181 465 A CA 1.598 53.675 52.037 0.067 0.000 0.623 465 A CB -1.613 17.502 19.000 0.191 0.000 0.818 465 A HN 0.674 nan 8.150 nan 0.000 0.443 466 F N 1.286 121.245 119.950 0.017 0.000 2.065 466 F HA -0.128 4.398 4.527 -0.001 0.000 0.298 466 F C 2.263 177.972 175.800 -0.152 0.000 1.112 466 F CA 1.885 59.784 58.000 -0.169 0.000 1.212 466 F CB -0.831 38.048 39.000 -0.203 0.000 0.975 466 F HN 0.177 nan 8.300 nan 0.000 0.476 467 G N 0.441 109.067 108.800 -0.290 0.000 2.402 467 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.216 467 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.216 467 G C 1.783 176.420 174.900 -0.438 0.000 1.162 467 G CA 0.501 45.363 45.100 -0.396 0.000 0.777 467 G HN 0.218 nan 8.290 nan 0.000 0.539 468 R N -0.030 120.175 120.500 -0.491 0.000 2.081 468 R HA 0.070 4.409 4.340 -0.002 0.000 0.235 468 R C 2.594 178.760 176.300 -0.225 0.000 1.131 468 R CA 1.049 56.903 56.100 -0.409 0.000 0.960 468 R CB -0.719 29.301 30.300 -0.467 0.000 0.856 468 R HN 0.415 nan 8.270 nan 0.000 0.436 469 M N -0.083 119.370 119.600 -0.245 0.000 2.319 469 M HA -0.014 4.464 4.480 -0.002 0.000 0.265 469 M C 2.297 178.477 176.300 -0.200 0.000 1.068 469 M CA 1.390 56.589 55.300 -0.169 0.000 1.118 469 M CB -0.216 32.313 32.600 -0.119 0.000 1.395 469 M HN 0.121 nan 8.290 nan 0.000 0.435 470 A N -0.131 122.453 122.820 -0.392 0.000 1.969 470 A HA -0.182 4.137 4.320 -0.002 0.000 0.218 470 A C 2.002 179.492 177.584 -0.156 0.000 1.169 470 A CA 0.894 52.717 52.037 -0.357 0.000 0.635 470 A CB -0.912 17.730 19.000 -0.597 0.000 0.810 470 A HN 0.781 nan 8.150 nan 0.000 0.445 471 W N 0.357 121.475 121.300 -0.303 0.000 2.441 471 W HA 0.024 4.683 4.660 -0.002 0.000 0.302 471 W C -0.741 175.654 176.519 -0.206 0.000 1.191 471 W CA 1.667 58.864 57.345 -0.246 0.000 1.327 471 W CB 0.128 29.425 29.460 -0.272 0.000 1.128 471 W HN 0.340 nan 8.180 nan 0.000 0.522 472 D N -0.866 119.556 120.400 0.038 0.000 2.476 472 D HA 0.042 4.681 4.640 -0.002 0.000 0.251 472 D C 1.114 177.327 176.300 -0.145 0.000 1.291 472 D CA -0.324 53.607 54.000 -0.115 0.000 0.939 472 D CB 0.269 41.061 40.800 -0.013 0.000 1.221 472 D HN 0.249 nan 8.370 nan 0.000 0.567 473 H N 1.965 120.984 119.070 -0.084 0.000 2.561 473 H HA 0.024 4.579 4.556 -0.002 0.000 0.278 473 H C 0.241 175.537 175.328 -0.052 0.000 1.014 473 H CA 0.462 56.465 56.048 -0.074 0.000 1.211 473 H CB 0.362 30.071 29.762 -0.089 0.000 1.365 473 H HN 0.439 nan 8.280 nan 0.000 0.594 474 Q N 0.779 120.467 119.800 -0.188 0.000 2.360 474 Q HA 0.250 4.589 4.340 -0.002 0.000 0.202 474 Q C 0.442 176.412 176.000 -0.050 0.000 0.915 474 Q CA -0.283 55.469 55.803 -0.084 0.000 0.943 474 Q CB 0.781 29.434 28.738 -0.142 0.000 1.064 474 Q HN 0.453 nan 8.270 nan 0.000 0.511 475 I N 2.418 122.957 120.570 -0.053 0.000 2.683 475 I HA -0.077 4.092 4.170 -0.002 0.000 0.286 475 I C 0.871 176.986 176.117 -0.004 0.000 1.175 475 I CA 0.004 61.288 61.300 -0.028 0.000 1.429 475 I CB 0.668 38.642 38.000 -0.042 0.000 1.371 475 I HN 0.102 nan 8.210 nan 0.000 0.569 476 S N 5.182 120.889 115.700 0.012 0.000 2.632 476 S HA 0.397 4.866 4.470 -0.002 0.000 0.267 476 S C 1.070 175.697 174.600 0.045 0.000 1.276 476 S CA -0.229 57.984 58.200 0.022 0.000 0.998 476 S CB 1.756 64.973 63.200 0.028 0.000 0.953 476 S HN 0.712 nan 8.310 nan 0.000 0.547 477 A N 1.870 124.710 122.820 0.033 0.000 1.933 477 A HA 0.158 4.477 4.320 -0.002 0.000 0.218 477 A C 2.382 180.093 177.584 0.213 0.000 1.175 477 A CA 1.773 53.857 52.037 0.079 0.000 0.628 477 A CB -1.674 17.296 19.000 -0.050 0.000 0.814 477 A HN 1.355 nan 8.150 nan 0.000 0.444 478 A N -1.019 121.879 122.820 0.130 0.000 1.877 478 A HA -0.099 4.220 4.320 -0.002 0.000 0.216 478 A C 2.325 179.976 177.584 0.111 0.000 1.186 478 A CA 2.336 54.442 52.037 0.116 0.000 0.620 478 A CB -1.332 17.712 19.000 0.073 0.000 0.822 478 A HN 0.414 nan 8.150 nan 0.000 0.443 479 T N 0.261 114.874 114.554 0.098 0.000 2.684 479 T HA -0.061 4.288 4.350 -0.002 0.000 0.267 479 T C 2.226 177.005 174.700 0.131 0.000 1.036 479 T CA 1.792 63.949 62.100 0.096 0.000 1.148 479 T CB -0.491 68.417 68.868 0.067 0.000 0.863 479 T HN 0.607 nan 8.240 nan 0.000 0.436 480 A N 1.285 124.202 122.820 0.163 0.000 1.902 480 A HA 0.141 4.460 4.320 -0.002 0.000 0.217 480 A C 2.614 180.348 177.584 0.250 0.000 1.181 480 A CA 1.888 54.080 52.037 0.258 0.000 0.623 480 A CB -1.046 18.105 19.000 0.250 0.000 0.818 480 A HN 0.514 nan 8.150 nan 0.000 0.443 481 A N -0.389 122.529 122.820 0.163 0.000 1.898 481 A HA -0.192 4.127 4.320 -0.002 0.000 0.216 481 A C 1.963 179.602 177.584 0.091 0.000 1.181 481 A CA 1.743 53.781 52.037 0.001 0.000 0.620 481 A CB -0.604 18.313 19.000 -0.138 0.000 0.819 481 A HN 0.610 nan 8.150 nan 0.000 0.442 482 D N -0.358 120.099 120.400 0.095 0.000 2.092 482 D HA -0.194 4.444 4.640 -0.002 0.000 0.193 482 D C 1.809 178.160 176.300 0.086 0.000 0.994 482 D CA 1.713 55.767 54.000 0.091 0.000 0.828 482 D CB -0.080 40.776 40.800 0.094 0.000 0.963 482 D HN 0.637 nan 8.370 nan 0.000 0.450 483 E N -0.325 119.930 120.200 0.091 0.000 2.038 483 E HA -0.199 4.150 4.350 -0.002 0.000 0.195 483 E C 1.950 178.463 176.600 -0.144 0.000 1.000 483 E CA 1.112 57.534 56.400 0.037 0.000 0.803 483 E CB -0.391 29.383 29.700 0.123 0.000 0.750 483 E HN 0.428 nan 8.360 nan 0.000 0.448 484 W N 1.572 122.571 121.300 -0.502 0.000 2.338 484 W HA -0.174 4.485 4.660 -0.003 0.000 0.304 484 W C 1.818 178.169 176.519 -0.279 0.000 1.212 484 W CA 1.371 58.290 57.345 -0.710 0.000 1.264 484 W CB -0.259 28.755 29.460 -0.742 0.000 1.142 484 W HN -0.025 nan 8.180 nan 0.000 0.512 485 L N 0.202 121.406 121.223 -0.031 0.000 2.046 485 L HA -0.196 4.143 4.340 -0.002 0.000 0.208 485 L C 2.723 179.596 176.870 0.004 0.000 1.077 485 L CA 1.602 56.460 54.840 0.030 0.000 0.747 485 L CB -0.792 41.418 42.059 0.253 0.000 0.896 485 L HN -0.074 nan 8.230 nan 0.000 0.432 486 R N -0.492 120.003 120.500 -0.009 0.000 2.081 486 R HA -0.147 4.192 4.340 -0.002 0.000 0.235 486 R C 2.280 178.520 176.300 -0.100 0.000 1.131 486 R CA 1.530 57.625 56.100 -0.009 0.000 0.960 486 R CB -0.310 30.009 30.300 0.031 0.000 0.856 486 R HN 0.320 nan 8.270 nan 0.000 0.436 487 M N -0.756 118.728 119.600 -0.193 0.000 2.200 487 M HA -0.076 4.403 4.480 -0.002 0.000 0.265 487 M C 1.818 177.908 176.300 -0.351 0.000 1.066 487 M CA 1.498 56.668 55.300 -0.216 0.000 1.127 487 M CB 0.109 32.590 32.600 -0.198 0.000 1.379 487 M HN 0.067 nan 8.290 nan 0.000 0.420 488 T N -0.954 113.234 114.554 -0.610 0.000 3.031 488 T HA 0.121 4.470 4.350 -0.002 0.000 0.254 488 T C 0.901 175.082 174.700 -0.865 0.000 1.060 488 T CA 0.871 62.428 62.100 -0.905 0.000 1.135 488 T CB 0.158 68.009 68.868 -1.695 0.000 0.896 488 T HN 0.153 nan 8.240 nan 0.000 0.472 489 F N 0.107 119.850 119.950 -0.345 0.000 2.347 489 F HA 0.515 5.041 4.527 -0.002 0.000 0.266 489 F C 0.784 176.392 175.800 -0.321 0.000 0.884 489 F CA -0.370 57.463 58.000 -0.279 0.000 1.123 489 F CB 0.478 39.359 39.000 -0.198 0.000 1.098 489 F HN -0.041 nan 8.300 nan 0.000 0.803 490 S N -0.782 114.874 115.700 -0.073 0.000 2.558 490 S HA 0.284 4.753 4.470 -0.002 0.000 0.277 490 S C -0.796 173.801 174.600 -0.004 0.000 1.143 490 S CA -0.659 57.451 58.200 -0.150 0.000 0.865 490 S CB 0.775 63.665 63.200 -0.517 0.000 1.102 490 S HN 0.161 nan 8.310 nan 0.000 0.454 491 N N 1.574 120.269 118.700 -0.008 0.000 2.270 491 N HA 0.081 4.820 4.740 -0.002 0.000 0.198 491 N C -0.545 174.972 175.510 0.012 0.000 1.117 491 N CA -0.005 53.059 53.050 0.023 0.000 0.845 491 N CB 0.341 38.841 38.487 0.021 0.000 0.980 491 N HN 0.548 nan 8.380 nan 0.000 0.486 492 Q N 1.046 120.835 119.800 -0.019 0.000 2.271 492 Q HA 0.097 4.436 4.340 -0.002 0.000 0.273 492 Q C -1.500 174.460 176.000 -0.066 0.000 1.051 492 Q CA -1.237 54.526 55.803 -0.066 0.000 0.901 492 Q CB 1.024 29.651 28.738 -0.185 0.000 1.174 492 Q HN 0.126 nan 8.270 nan 0.000 0.385 493 P HA -0.177 nan 4.420 nan 0.000 0.216 493 P C 0.809 178.058 177.300 -0.084 0.000 1.150 493 P CA 1.653 64.726 63.100 -0.045 0.000 0.837 493 P CB 0.251 31.933 31.700 -0.030 0.000 0.786 494 A N -1.881 120.860 122.820 -0.131 0.000 2.067 494 A HA -0.145 4.174 4.320 -0.002 0.000 0.219 494 A C 1.977 179.415 177.584 -0.244 0.000 1.158 494 A CA 1.026 52.975 52.037 -0.146 0.000 0.661 494 A CB -1.589 17.365 19.000 -0.077 0.000 0.801 494 A HN 0.207 nan 8.150 nan 0.000 0.452 495 F N 0.105 119.716 119.950 -0.564 0.000 2.220 495 F HA 0.080 4.606 4.527 -0.002 0.000 0.290 495 F C 1.821 177.506 175.800 -0.192 0.000 1.080 495 F CA 1.036 58.742 58.000 -0.491 0.000 1.318 495 F CB -0.169 38.433 39.000 -0.662 0.000 1.063 495 F HN 0.124 nan 8.300 nan 0.000 0.498 496 I N 0.607 121.093 120.570 -0.139 0.000 2.163 496 I HA -0.284 3.885 4.170 -0.002 0.000 0.243 496 I C 2.415 178.426 176.117 -0.176 0.000 1.085 496 I CA 1.874 63.086 61.300 -0.147 0.000 1.347 496 I CB -0.524 37.486 38.000 0.016 0.000 1.044 496 I HN 0.220 nan 8.210 nan 0.000 0.408 497 E N 1.457 121.585 120.200 -0.121 0.000 2.023 497 E HA -0.184 4.165 4.350 -0.002 0.000 0.196 497 E C -0.565 175.979 176.600 -0.094 0.000 1.003 497 E CA 1.875 58.227 56.400 -0.080 0.000 0.809 497 E CB -1.182 28.488 29.700 -0.049 0.000 0.755 497 E HN 0.297 nan 8.360 nan 0.000 0.449 498 P HA -0.091 nan 4.420 nan 0.000 0.219 498 P C 1.415 178.652 177.300 -0.105 0.000 1.150 498 P CA 1.034 64.083 63.100 -0.086 0.000 0.814 498 P CB 0.069 31.729 31.700 -0.067 0.000 0.787 499 V N 1.060 120.835 119.914 -0.232 0.000 2.453 499 V HA -0.180 3.939 4.120 -0.002 0.000 0.247 499 V C 2.861 178.922 176.094 -0.054 0.000 1.048 499 V CA 1.826 64.022 62.300 -0.175 0.000 1.049 499 V CB -1.189 30.353 31.823 -0.468 0.000 0.672 499 V HN 0.144 nan 8.190 nan 0.000 0.457 500 K N -0.228 120.126 120.400 -0.077 0.000 2.026 500 K HA -0.222 4.097 4.320 -0.002 0.000 0.208 500 K C 2.323 178.926 176.600 0.005 0.000 1.048 500 K CA 1.433 57.711 56.287 -0.016 0.000 0.929 500 K CB -0.101 32.392 32.500 -0.011 0.000 0.713 500 K HN 0.321 nan 8.250 nan 0.000 0.439 501 Q N 0.431 120.228 119.800 -0.006 0.000 2.084 501 Q HA -0.201 4.138 4.340 -0.002 0.000 0.202 501 Q C 2.027 178.033 176.000 0.010 0.000 0.978 501 Q CA 1.661 57.468 55.803 0.007 0.000 0.844 501 Q CB -0.333 28.405 28.738 -0.000 0.000 0.898 501 Q HN 0.493 nan 8.270 nan 0.000 0.426 502 M N -0.451 119.151 119.600 0.002 0.000 2.086 502 M HA -0.182 4.297 4.480 -0.002 0.000 0.261 502 M C 2.042 178.335 176.300 -0.013 0.000 1.067 502 M CA 1.406 56.703 55.300 -0.006 0.000 1.116 502 M CB -0.034 32.566 32.600 -0.000 0.000 1.348 502 M HN 0.189 nan 8.290 nan 0.000 0.407 503 M N 0.162 119.769 119.600 0.012 0.000 2.108 503 M HA -0.238 4.240 4.480 -0.002 0.000 0.261 503 M C 2.013 178.400 176.300 0.145 0.000 1.066 503 M CA 1.616 56.942 55.300 0.044 0.000 1.107 503 M CB -0.493 32.072 32.600 -0.058 0.000 1.356 503 M HN 0.341 nan 8.290 nan 0.000 0.406 504 L N -1.115 120.179 121.223 0.120 0.000 2.201 504 L HA -0.127 4.212 4.340 -0.002 0.000 0.212 504 L C 2.318 179.207 176.870 0.032 0.000 1.105 504 L CA 0.456 55.363 54.840 0.112 0.000 0.775 504 L CB -0.450 41.658 42.059 0.082 0.000 0.913 504 L HN 0.158 nan 8.230 nan 0.000 0.440 505 V N -0.712 119.212 119.914 0.016 0.000 3.235 505 V HA -0.135 3.984 4.120 -0.002 0.000 0.259 505 V C 2.500 178.582 176.094 -0.020 0.000 1.133 505 V CA 1.321 63.619 62.300 -0.005 0.000 1.128 505 V CB 0.206 32.030 31.823 0.002 0.000 0.757 505 V HN 0.621 nan 8.190 nan 0.000 0.469 506 S N 0.549 116.234 115.700 -0.025 0.000 2.383 506 S HA -0.275 4.194 4.470 -0.002 0.000 0.229 506 S C 2.186 176.747 174.600 -0.064 0.000 1.030 506 S CA 1.432 59.606 58.200 -0.043 0.000 1.002 506 S CB -0.633 62.524 63.200 -0.072 0.000 0.829 506 S HN 0.574 nan 8.310 nan 0.000 0.467 507 R N 1.591 122.017 120.500 -0.124 0.000 2.070 507 R HA -0.077 4.262 4.340 -0.002 0.000 0.233 507 R C 2.259 178.541 176.300 -0.029 0.000 1.137 507 R CA 2.199 58.207 56.100 -0.152 0.000 0.945 507 R CB -0.954 29.175 30.300 -0.285 0.000 0.845 507 R HN 0.530 nan 8.270 nan 0.000 0.430 508 E N 0.192 120.358 120.200 -0.057 0.000 2.110 508 E HA -0.055 4.294 4.350 -0.002 0.000 0.193 508 E C 1.762 178.308 176.600 -0.090 0.000 0.988 508 E CA 1.488 57.853 56.400 -0.058 0.000 0.804 508 E CB -0.256 29.417 29.700 -0.044 0.000 0.745 508 E HN 0.416 nan 8.360 nan 0.000 0.458 509 A N 0.101 122.883 122.820 -0.064 0.000 1.883 509 A HA -0.126 4.193 4.320 -0.002 0.000 0.217 509 A C 2.468 179.862 177.584 -0.316 0.000 1.186 509 A CA 1.896 53.902 52.037 -0.051 0.000 0.624 509 A CB -1.377 17.667 19.000 0.072 0.000 0.822 509 A HN 0.407 nan 8.150 nan 0.000 0.444 510 G N -0.920 107.671 108.800 -0.348 0.000 2.448 510 G HA2 -0.049 3.910 3.960 -0.002 0.000 0.219 510 G HA3 -0.049 3.910 3.960 -0.002 0.000 0.219 510 G C 1.439 175.895 174.900 -0.740 0.000 1.127 510 G CA 1.168 45.844 45.100 -0.706 0.000 0.766 510 G HN 0.334 nan 8.290 nan 0.000 0.552 511 V N 1.008 120.681 119.914 -0.401 0.000 2.323 511 V HA -0.179 3.940 4.120 -0.002 0.000 0.244 511 V C 2.502 178.325 176.094 -0.452 0.000 1.041 511 V CA 2.039 64.116 62.300 -0.372 0.000 1.025 511 V CB -0.689 31.022 31.823 -0.186 0.000 0.656 511 V HN 0.427 nan 8.190 nan 0.000 0.451 512 N N -0.152 118.315 118.700 -0.388 0.000 2.084 512 N HA -0.204 4.535 4.740 -0.002 0.000 0.190 512 N C 1.806 177.082 175.510 -0.390 0.000 1.030 512 N CA 1.794 54.636 53.050 -0.346 0.000 0.849 512 N CB -0.246 38.132 38.487 -0.181 0.000 1.012 512 N HN 0.795 nan 8.380 nan 0.000 0.423 513 Y N -0.317 119.821 120.300 -0.270 0.000 2.529 513 Y HA 0.303 4.852 4.550 -0.002 0.000 0.290 513 Y C 1.682 177.527 175.900 -0.091 0.000 1.177 513 Y CA -0.076 57.950 58.100 -0.124 0.000 1.305 513 Y CB -0.068 38.340 38.460 -0.086 0.000 1.047 513 Y HN -0.093 nan 8.280 nan 0.000 0.522 514 R N 0.588 120.817 120.500 -0.451 0.000 2.119 514 R HA 0.264 4.603 4.340 -0.002 0.000 0.202 514 R C -0.189 176.030 176.300 -0.135 0.000 1.114 514 R CA 0.994 56.802 56.100 -0.487 0.000 1.089 514 R CB 0.335 29.942 30.300 -1.155 0.000 1.000 514 R HN 0.305 nan 8.270 nan 0.000 0.487 515 S N 0.601 116.085 115.700 -0.360 0.000 2.769 515 S HA 0.249 4.718 4.470 -0.002 0.000 0.150 515 S C -2.838 171.575 174.600 -0.312 0.000 1.034 515 S CA -1.229 56.826 58.200 -0.241 0.000 1.096 515 S CB 1.618 64.710 63.200 -0.179 0.000 1.567 515 S HN -0.056 nan 8.310 nan 0.000 0.435 516 P HA 0.512 nan 4.420 nan 0.000 0.282 516 P C 0.690 177.864 177.300 -0.210 0.000 1.287 516 P CA -0.442 62.479 63.100 -0.298 0.000 0.792 516 P CB 0.390 31.874 31.700 -0.360 0.000 1.163 517 L N -2.333 118.804 121.223 -0.144 0.000 4.367 517 L HA -0.308 4.031 4.340 -0.002 0.000 0.424 517 L C 1.171 177.955 176.870 -0.143 0.000 1.152 517 L CA 0.760 55.534 54.840 -0.111 0.000 0.974 517 L CB -2.618 39.379 42.059 -0.103 0.000 2.012 517 L HN 0.869 nan 8.230 nan 0.000 0.922 518 G N -1.300 107.392 108.800 -0.180 0.000 2.195 518 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.224 518 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.224 518 G C 0.243 174.720 174.900 -0.705 0.000 0.990 518 G CA 0.119 44.989 45.100 -0.384 0.000 0.639 518 G HN 0.232 nan 8.290 nan 0.000 0.514 519 L N 0.516 121.499 121.223 -0.401 0.000 2.473 519 L HA 0.629 4.968 4.340 -0.002 0.000 0.268 519 L C 0.902 177.540 176.870 -0.386 0.000 1.215 519 L CA 0.888 55.533 54.840 -0.324 0.000 0.823 519 L CB 1.199 43.184 42.059 -0.122 0.000 1.099 519 L HN 0.252 nan 8.230 nan 0.000 0.483 520 T N -0.797 113.584 114.554 -0.287 0.000 2.786 520 T HA 0.192 4.541 4.350 -0.002 0.000 0.316 520 T C -0.407 174.238 174.700 -0.092 0.000 1.503 520 T CA -0.437 61.499 62.100 -0.272 0.000 1.019 520 T CB 0.574 69.096 68.868 -0.578 0.000 1.415 520 T HN 0.781 nan 8.240 nan 0.000 0.496 521 H N 1.771 120.710 119.070 -0.218 0.000 2.756 521 H HA -0.104 4.451 4.556 -0.001 0.000 0.315 521 H C 0.117 175.451 175.328 0.010 0.000 1.210 521 H CA 0.979 56.924 56.048 -0.172 0.000 1.150 521 H CB -1.033 28.325 29.762 -0.673 0.000 1.463 521 H HN 0.461 nan 8.280 nan 0.000 0.427 522 L N 0.441 121.636 121.223 -0.046 0.000 2.700 522 L HA 0.131 4.470 4.340 -0.002 0.000 0.234 522 L C 0.566 177.295 176.870 -0.235 0.000 1.156 522 L CA -0.084 54.708 54.840 -0.079 0.000 0.946 522 L CB -0.091 41.970 42.059 0.003 0.000 1.216 522 L HN 0.105 nan 8.230 nan 0.000 0.493 523 Y N 0.140 120.406 120.300 -0.057 0.000 2.326 523 Y HA 0.085 4.634 4.550 -0.002 0.000 0.333 523 Y C 1.348 177.189 175.900 -0.099 0.000 1.240 523 Y CA -0.008 58.085 58.100 -0.012 0.000 1.365 523 Y CB 0.699 39.221 38.460 0.102 0.000 1.289 523 Y HN -0.105 nan 8.280 nan 0.000 0.548 524 S N 2.602 118.320 115.700 0.031 0.000 2.552 524 S HA 0.004 4.473 4.470 -0.002 0.000 0.289 524 S C -0.456 174.223 174.600 0.132 0.000 1.304 524 S CA -0.670 57.537 58.200 0.011 0.000 1.063 524 S CB 0.049 63.239 63.200 -0.015 0.000 0.848 524 S HN 0.487 nan 8.310 nan 0.000 0.499 525 Q N 2.949 122.801 119.800 0.088 0.000 2.282 525 Q HA 0.432 4.770 4.340 -0.002 0.000 0.260 525 Q C 0.621 176.628 176.000 0.011 0.000 0.964 525 Q CA -0.303 55.547 55.803 0.080 0.000 0.880 525 Q CB 1.760 30.594 28.738 0.161 0.000 1.286 525 Q HN 0.888 nan 8.270 nan 0.000 0.445 526 G N 1.326 110.073 108.800 -0.089 0.000 3.502 526 G HA2 -0.030 3.929 3.960 -0.002 0.000 0.267 526 G HA3 -0.030 3.929 3.960 -0.002 0.000 0.267 526 G C 0.588 174.866 174.900 -1.038 0.000 1.090 526 G CA -0.134 44.772 45.100 -0.323 0.000 0.795 526 G HN 0.648 nan 8.290 nan 0.000 0.535 527 D N 0.143 119.916 120.400 -1.044 0.000 2.194 527 D HA -0.127 4.512 4.640 -0.002 0.000 0.204 527 D C 0.563 176.733 176.300 -0.217 0.000 0.964 527 D CA 0.617 54.065 54.000 -0.920 0.000 0.846 527 D CB -0.354 40.174 40.800 -0.454 0.000 0.962 527 D HN 0.300 nan 8.370 nan 0.000 0.490 528 H N -1.634 117.471 119.070 0.058 0.000 3.022 528 H HA -0.208 4.347 4.556 -0.001 0.000 0.258 528 H C 0.436 175.885 175.328 0.200 0.000 1.212 528 H CA 0.799 56.932 56.048 0.142 0.000 1.126 528 H CB -2.640 27.056 29.762 -0.110 0.000 1.267 528 H HN 0.369 nan 8.280 nan 0.000 0.345 529 Y N 0.982 121.258 120.300 -0.040 0.000 2.201 529 Y HA 0.318 4.868 4.550 -0.000 0.000 0.292 529 Y C 1.784 177.661 175.900 -0.037 0.000 1.119 529 Y CA 1.496 59.292 58.100 -0.507 0.000 1.127 529 Y CB 0.233 38.281 38.460 -0.686 0.000 1.019 529 Y HN 0.319 nan 8.280 nan 0.000 0.514 530 G N -0.277 108.456 108.800 -0.112 0.000 2.932 530 G HA2 0.462 4.421 3.960 -0.002 0.000 0.283 530 G HA3 0.462 4.421 3.960 -0.002 0.000 0.283 530 G C -2.863 171.459 174.900 -0.965 0.000 1.336 530 G CA -1.796 42.986 45.100 -0.530 0.000 1.056 530 G HN -0.063 nan 8.290 nan 0.000 0.522 531 P HA 0.380 nan 4.420 nan 0.000 0.275 531 P C -0.633 176.066 177.300 -1.001 0.000 1.227 531 P CA 0.020 62.120 63.100 -1.666 0.000 0.781 531 P CB 1.747 32.595 31.700 -1.420 0.000 0.906 532 A N 4.473 126.660 122.820 -1.055 0.000 3.455 532 A HA 0.341 4.660 4.320 -0.002 0.000 0.225 532 A C -1.903 174.796 177.584 -1.475 0.000 1.052 532 A CA -0.649 50.480 52.037 -1.513 0.000 1.005 532 A CB 0.345 18.908 19.000 -0.727 0.000 1.318 532 A HN 0.286 nan 8.150 nan 0.000 0.639 533 P HA -0.111 nan 4.420 nan 0.000 0.230 533 P C 0.985 177.671 177.300 -1.024 0.000 1.158 533 P CA 0.868 63.416 63.100 -0.919 0.000 0.769 533 P CB -0.332 30.828 31.700 -0.900 0.000 0.807 534 W N -0.336 120.428 121.300 -0.893 0.000 2.800 534 W HA 0.188 4.846 4.660 -0.002 0.000 0.249 534 W C 0.116 176.564 176.519 -0.119 0.000 1.294 534 W CA -0.130 56.853 57.345 -0.603 0.000 1.402 534 W CB -2.254 26.990 29.460 -0.360 0.000 1.126 534 W HN -0.310 nan 8.180 nan 0.000 0.652 535 T N 3.082 117.543 114.554 -0.155 0.000 2.800 535 T HA 0.012 4.361 4.350 -0.002 0.000 0.283 535 T C -0.257 174.549 174.700 0.176 0.000 0.999 535 T CA 0.894 63.047 62.100 0.088 0.000 1.176 535 T CB 0.112 69.001 68.868 0.034 0.000 0.973 535 T HN 0.149 nan 8.240 nan 0.000 0.519 536 D N 0.711 121.234 120.400 0.205 0.000 2.895 536 D HA 0.209 4.848 4.640 -0.002 0.000 0.320 536 D C -1.026 175.374 176.300 0.168 0.000 1.249 536 D CA -0.493 53.620 54.000 0.187 0.000 0.997 536 D CB 1.250 42.158 40.800 0.181 0.000 1.430 536 D HN 0.429 nan 8.370 nan 0.000 0.558 537 D N 0.327 120.810 120.400 0.139 0.000 2.803 537 D HA -0.180 4.458 4.640 -0.002 0.000 0.233 537 D C -0.342 176.033 176.300 0.125 0.000 1.182 537 D CA 0.729 54.798 54.000 0.115 0.000 0.726 537 D CB -1.025 39.836 40.800 0.102 0.000 0.987 537 D HN 0.237 nan 8.370 nan 0.000 0.412 538 L N -0.375 120.929 121.223 0.135 0.000 2.303 538 L HA 0.322 4.661 4.340 -0.002 0.000 0.266 538 L C -0.999 175.916 176.870 0.076 0.000 1.011 538 L CA -2.066 52.866 54.840 0.154 0.000 0.818 538 L CB 1.141 43.359 42.059 0.265 0.000 1.326 538 L HN -0.240 nan 8.230 nan 0.000 0.435 539 P HA -0.095 nan 4.420 nan 0.000 0.219 539 P C -0.713 176.509 177.300 -0.129 0.000 1.146 539 P CA 1.161 64.244 63.100 -0.029 0.000 0.808 539 P CB 0.123 31.810 31.700 -0.023 0.000 0.779 540 R N -1.665 118.695 120.500 -0.234 0.000 2.513 540 R HA 0.727 5.066 4.340 -0.002 0.000 0.301 540 R C 0.661 176.833 176.300 -0.214 0.000 0.968 540 R CA -0.506 55.384 56.100 -0.350 0.000 0.872 540 R CB 1.291 31.164 30.300 -0.712 0.000 1.177 540 R HN -0.255 nan 8.270 nan 0.000 0.444 541 A N 2.497 125.235 122.820 -0.137 0.000 1.940 541 A HA -0.251 4.068 4.320 -0.002 0.000 0.219 541 A C 1.363 178.765 177.584 -0.303 0.000 1.176 541 A CA 1.921 53.928 52.037 -0.051 0.000 0.631 541 A CB -0.616 18.444 19.000 0.098 0.000 0.814 541 A HN 0.939 nan 8.150 nan 0.000 0.446 542 D N -2.126 117.919 120.400 -0.592 0.000 2.378 542 D HA -0.140 4.499 4.640 -0.002 0.000 0.227 542 D C 1.271 177.621 176.300 0.085 0.000 1.012 542 D CA 0.157 53.618 54.000 -0.898 0.000 0.905 542 D CB -0.717 39.683 40.800 -0.667 0.000 0.895 542 D HN 0.829 nan 8.370 nan 0.000 0.532 543 W N 1.091 122.364 121.300 -0.046 0.000 3.211 543 W HA 0.056 4.715 4.660 -0.001 0.000 0.292 543 W C 0.809 177.542 176.519 0.355 0.000 1.268 543 W CA -0.067 57.408 57.345 0.216 0.000 1.702 543 W CB 0.532 30.117 29.460 0.207 0.000 1.092 543 W HN -0.074 nan 8.180 nan 0.000 0.643 544 T N -2.728 112.110 114.554 0.474 0.000 2.810 544 T HA 0.552 4.901 4.350 -0.002 0.000 0.277 544 T C 1.014 176.034 174.700 0.534 0.000 0.973 544 T CA 0.023 62.372 62.100 0.414 0.000 0.949 544 T CB 1.900 70.933 68.868 0.276 0.000 1.075 544 T HN -0.063 nan 8.240 nan 0.000 0.537 545 A N 0.227 123.277 122.820 0.384 0.000 1.924 545 A HA 0.220 4.539 4.320 -0.002 0.000 0.211 545 A C 2.475 180.178 177.584 0.198 0.000 1.198 545 A CA 1.017 53.289 52.037 0.392 0.000 0.657 545 A CB -1.165 17.953 19.000 0.196 0.000 0.852 545 A HN 1.265 nan 8.150 nan 0.000 0.454 546 V N -2.424 117.501 119.914 0.019 0.000 2.490 546 V HA -0.283 3.836 4.120 -0.002 0.000 0.250 546 V C 2.263 178.265 176.094 -0.154 0.000 1.061 546 V CA 2.214 64.316 62.300 -0.330 0.000 1.064 546 V CB -1.491 30.348 31.823 0.027 0.000 0.670 546 V HN 0.547 nan 8.190 nan 0.000 0.461 547 Y N 1.055 121.297 120.300 -0.096 0.000 2.193 547 Y HA -0.256 4.293 4.550 -0.001 0.000 0.285 547 Y C 2.200 178.010 175.900 -0.150 0.000 1.166 547 Y CA 2.229 60.235 58.100 -0.157 0.000 1.181 547 Y CB -0.411 37.889 38.460 -0.266 0.000 0.976 547 Y HN 0.358 nan 8.280 nan 0.000 0.520 548 Y N -1.315 119.163 120.300 0.297 0.000 2.301 548 Y HA -0.053 4.496 4.550 -0.002 0.000 0.295 548 Y C 2.540 178.571 175.900 0.219 0.000 1.119 548 Y CA 1.514 59.771 58.100 0.262 0.000 1.162 548 Y CB -0.603 37.958 38.460 0.168 0.000 1.046 548 Y HN 0.413 nan 8.280 nan 0.000 0.538 549 H N -1.716 117.574 119.070 0.367 0.000 2.465 549 H HA 0.252 4.807 4.556 -0.002 0.000 0.289 549 H C 0.710 176.171 175.328 0.222 0.000 1.022 549 H CA 0.244 56.454 56.048 0.270 0.000 1.340 549 H CB -0.310 29.685 29.762 0.388 0.000 1.437 549 H HN -0.065 nan 8.280 nan 0.000 0.539 550 R N 0.057 120.648 120.500 0.152 0.000 3.627 550 R HA -0.160 4.179 4.340 -0.002 0.000 0.281 550 R C -0.228 176.285 176.300 0.355 0.000 1.140 550 R CA 0.282 56.469 56.100 0.145 0.000 0.761 550 R CB -2.042 28.239 30.300 -0.031 0.000 1.181 550 R HN 0.621 nan 8.270 nan 0.000 0.472 551 A N 1.220 124.451 122.820 0.686 0.000 2.498 551 A HA 0.426 4.745 4.320 -0.002 0.000 0.239 551 A C 0.842 178.669 177.584 0.406 0.000 1.068 551 A CA 0.675 53.029 52.037 0.529 0.000 0.766 551 A CB 0.496 19.896 19.000 0.666 0.000 1.003 551 A HN 0.534 nan 8.150 nan 0.000 0.497 552 S N 0.661 116.576 115.700 0.359 0.000 2.776 552 S HA 0.526 4.995 4.470 -0.002 0.000 0.292 552 S C 0.557 175.378 174.600 0.369 0.000 1.187 552 S CA -0.164 58.209 58.200 0.289 0.000 0.834 552 S CB 1.116 64.441 63.200 0.209 0.000 1.199 552 S HN 0.614 nan 8.310 nan 0.000 0.514 553 K N 0.651 121.192 120.400 0.235 0.000 2.147 553 K HA -0.038 4.281 4.320 -0.002 0.000 0.205 553 K C 1.873 178.657 176.600 0.306 0.000 1.049 553 K CA 2.619 59.022 56.287 0.194 0.000 0.936 553 K CB -0.977 31.576 32.500 0.088 0.000 0.722 553 K HN 0.809 nan 8.250 nan 0.000 0.446 554 T N -4.140 110.569 114.554 0.258 0.000 3.040 554 T HA 0.357 4.706 4.350 -0.002 0.000 0.252 554 T C 0.908 175.643 174.700 0.057 0.000 1.064 554 T CA 0.189 62.415 62.100 0.210 0.000 1.110 554 T CB 0.494 69.439 68.868 0.127 0.000 0.921 554 T HN 0.208 nan 8.240 nan 0.000 0.480 555 G N 0.140 108.833 108.800 -0.178 0.000 2.490 555 G HA2 0.617 4.576 3.960 -0.002 0.000 0.308 555 G HA3 0.617 4.576 3.960 -0.002 0.000 0.308 555 G C -2.247 172.083 174.900 -0.951 0.000 1.286 555 G CA -0.651 43.915 45.100 -0.891 0.000 0.825 555 G HN 0.453 nan 8.290 nan 0.000 0.479 556 I N -0.980 118.865 120.570 -1.208 0.000 2.908 556 I HA 0.667 4.836 4.170 -0.002 0.000 0.300 556 I C -0.079 175.710 176.117 -0.546 0.000 1.385 556 I CA 0.575 61.457 61.300 -0.697 0.000 1.004 556 I CB 2.182 39.687 38.000 -0.825 0.000 1.309 556 I HN 2.096 nan 8.210 nan 0.000 0.449 557 G N 3.757 112.492 108.800 -0.108 0.000 2.440 557 G HA2 0.070 4.029 3.960 -0.002 0.000 0.684 557 G HA3 0.070 4.029 3.960 -0.002 0.000 0.684 557 G C -2.072 172.941 174.900 0.188 0.000 1.309 557 G CA -0.705 44.392 45.100 -0.006 0.000 0.931 557 G HN 0.642 nan 8.290 nan 0.000 0.612 558 F N 1.427 121.364 119.950 -0.023 0.000 2.477 558 F HA 0.639 5.165 4.527 -0.002 0.000 0.335 558 F C 0.094 175.863 175.800 -0.052 0.000 1.130 558 F CA -1.473 56.499 58.000 -0.048 0.000 0.948 558 F CB 1.824 40.770 39.000 -0.091 0.000 1.154 558 F HN 0.502 nan 8.300 nan 0.000 0.439 559 N N 5.124 123.868 118.700 0.073 0.000 2.399 559 N HA 0.162 4.901 4.740 -0.002 0.000 0.259 559 N C 0.158 175.765 175.510 0.162 0.000 1.160 559 N CA 0.274 53.361 53.050 0.062 0.000 0.946 559 N CB 0.317 38.776 38.487 -0.046 0.000 1.156 559 N HN 0.704 nan 8.380 nan 0.000 0.489 560 R N 1.110 121.685 120.500 0.126 0.000 2.546 560 R HA 0.088 4.427 4.340 -0.002 0.000 0.320 560 R C 0.458 176.761 176.300 0.006 0.000 1.021 560 R CA -0.162 55.991 56.100 0.090 0.000 1.088 560 R CB 0.242 30.567 30.300 0.041 0.000 1.278 560 R HN 0.616 nan 8.270 nan 0.000 0.557 561 T N -2.178 112.354 114.554 -0.037 0.000 2.771 561 T HA 0.170 4.519 4.350 -0.002 0.000 0.290 561 T C 1.234 175.926 174.700 -0.013 0.000 1.005 561 T CA -0.565 61.506 62.100 -0.049 0.000 0.944 561 T CB 1.203 70.037 68.868 -0.057 0.000 1.147 561 T HN -0.087 nan 8.240 nan 0.000 0.534 562 K N 0.136 120.532 120.400 -0.008 0.000 2.218 562 K HA -0.105 4.214 4.320 -0.002 0.000 0.205 562 K C 2.284 178.884 176.600 -0.001 0.000 1.046 562 K CA 1.854 58.141 56.287 -0.000 0.000 0.933 562 K CB -0.573 31.928 32.500 0.002 0.000 0.728 562 K HN 0.858 nan 8.250 nan 0.000 0.454 563 T N -2.912 111.641 114.554 -0.002 0.000 3.129 563 T HA 0.133 4.482 4.350 -0.002 0.000 0.251 563 T C 1.100 175.787 174.700 -0.021 0.000 1.117 563 T CA 0.213 62.308 62.100 -0.008 0.000 1.034 563 T CB 0.516 69.382 68.868 -0.003 0.000 0.968 563 T HN 0.198 nan 8.240 nan 0.000 0.526 564 G N 1.589 110.380 108.800 -0.015 0.000 3.414 564 G HA2 0.358 4.317 3.960 -0.002 0.000 0.196 564 G HA3 0.358 4.317 3.960 -0.002 0.000 0.196 564 G C 1.227 176.132 174.900 0.009 0.000 1.486 564 G CA 0.215 45.301 45.100 -0.024 0.000 0.811 564 G HN 0.352 nan 8.290 nan 0.000 0.704 565 S N -0.344 115.394 115.700 0.064 0.000 2.522 565 S HA -0.023 4.446 4.470 -0.002 0.000 0.227 565 S C 1.284 175.922 174.600 0.063 0.000 0.986 565 S CA 1.152 59.408 58.200 0.093 0.000 0.929 565 S CB -0.231 63.086 63.200 0.195 0.000 0.769 565 S HN 0.704 nan 8.310 nan 0.000 0.529 566 N N 0.665 119.389 118.700 0.040 0.000 2.725 566 N HA -0.212 4.527 4.740 -0.002 0.000 0.249 566 N C 0.679 176.203 175.510 0.022 0.000 1.103 566 N CA 0.793 53.856 53.050 0.021 0.000 0.707 566 N CB -1.631 36.866 38.487 0.017 0.000 1.043 566 N HN 0.644 nan 8.380 nan 0.000 0.553 567 A N -0.369 122.472 122.820 0.034 0.000 2.015 567 A HA -0.001 4.318 4.320 -0.002 0.000 0.219 567 A C 2.242 179.870 177.584 0.072 0.000 1.163 567 A CA 1.174 53.245 52.037 0.058 0.000 0.646 567 A CB -0.276 18.775 19.000 0.084 0.000 0.806 567 A HN 0.440 nan 8.150 nan 0.000 0.448 568 L N -0.866 120.387 121.223 0.050 0.000 2.187 568 L HA -0.224 4.115 4.340 -0.002 0.000 0.213 568 L C 2.878 179.785 176.870 0.062 0.000 1.100 568 L CA 0.945 55.830 54.840 0.074 0.000 0.765 568 L CB -0.466 41.543 42.059 -0.083 0.000 0.904 568 L HN 0.455 nan 8.230 nan 0.000 0.437 569 A N -0.702 122.117 122.820 -0.002 0.000 2.216 569 A HA -0.171 4.148 4.320 -0.002 0.000 0.214 569 A C 2.050 179.579 177.584 -0.092 0.000 1.160 569 A CA 0.939 52.962 52.037 -0.022 0.000 0.725 569 A CB -0.298 18.697 19.000 -0.008 0.000 0.784 569 A HN 0.525 nan 8.150 nan 0.000 0.472 570 Q N -1.693 117.956 119.800 -0.251 0.000 2.451 570 Q HA 0.057 4.396 4.340 -0.002 0.000 0.206 570 Q C -0.564 175.070 176.000 -0.610 0.000 0.947 570 Q CA 0.236 55.600 55.803 -0.732 0.000 0.937 570 Q CB 0.094 28.062 28.738 -1.283 0.000 1.025 570 Q HN 0.770 nan 8.270 nan 0.000 0.511 571 Y N 0.562 120.739 120.300 -0.205 0.000 2.403 571 Y HA 0.283 4.832 4.550 -0.002 0.000 0.323 571 Y C -1.938 173.940 175.900 -0.037 0.000 1.226 571 Y CA -2.969 55.063 58.100 -0.113 0.000 1.235 571 Y CB 0.287 38.612 38.460 -0.224 0.000 1.248 571 Y HN -0.081 nan 8.280 nan 0.000 0.489 572 P HA -0.058 nan 4.420 nan 0.000 0.267 572 P C 0.790 178.110 177.300 0.032 0.000 1.200 572 P CA 0.096 63.280 63.100 0.139 0.000 0.772 572 P CB 0.738 32.553 31.700 0.191 0.000 0.855 573 E N 4.245 124.448 120.200 0.005 0.000 2.108 573 E HA -0.224 4.125 4.350 -0.002 0.000 0.203 573 E C -0.914 175.610 176.600 -0.127 0.000 1.022 573 E CA 2.458 58.829 56.400 -0.049 0.000 0.823 573 E CB -1.710 27.970 29.700 -0.033 0.000 0.744 573 E HN 0.359 nan 8.360 nan 0.000 0.456 574 P HA -0.123 nan 4.420 nan 0.000 0.216 574 P C 1.587 178.668 177.300 -0.365 0.000 1.150 574 P CA 1.002 63.897 63.100 -0.342 0.000 0.837 574 P CB -0.038 31.252 31.700 -0.683 0.000 0.786 575 I N -0.487 119.875 120.570 -0.347 0.000 2.233 575 I HA -0.135 4.034 4.170 -0.002 0.000 0.243 575 I C 2.237 177.939 176.117 -0.692 0.000 1.093 575 I CA 1.443 62.342 61.300 -0.669 0.000 1.380 575 I CB -1.815 35.771 38.000 -0.690 0.000 1.067 575 I HN -0.093 nan 8.210 nan 0.000 0.413 576 A N 0.934 123.534 122.820 -0.366 0.000 1.908 576 A HA -0.277 4.042 4.320 -0.002 0.000 0.218 576 A C 2.466 179.950 177.584 -0.167 0.000 1.181 576 A CA 2.174 54.075 52.037 -0.227 0.000 0.627 576 A CB -0.615 18.325 19.000 -0.099 0.000 0.818 576 A HN 0.417 nan 8.150 nan 0.000 0.445 577 K N -0.485 119.822 120.400 -0.156 0.000 2.025 577 K HA -0.044 4.275 4.320 -0.002 0.000 0.207 577 K C 2.194 178.758 176.600 -0.059 0.000 1.049 577 K CA 1.219 57.451 56.287 -0.091 0.000 0.933 577 K CB -0.355 32.087 32.500 -0.097 0.000 0.714 577 K HN 0.341 nan 8.250 nan 0.000 0.438 578 A N 0.532 123.282 122.820 -0.116 0.000 1.902 578 A HA -0.147 4.172 4.320 -0.002 0.000 0.217 578 A C 1.655 179.358 177.584 0.198 0.000 1.181 578 A CA 1.286 53.323 52.037 -0.001 0.000 0.623 578 A CB -0.802 18.168 19.000 -0.050 0.000 0.818 578 A HN 0.544 nan 8.150 nan 0.000 0.443 579 W N -0.508 120.730 121.300 -0.104 0.000 2.658 579 W HA 0.213 4.872 4.660 -0.002 0.000 0.263 579 W C 2.239 178.763 176.519 0.008 0.000 1.274 579 W CA 0.101 57.375 57.345 -0.118 0.000 1.343 579 W CB -1.176 27.964 29.460 -0.534 0.000 1.106 579 W HN 0.391 nan 8.180 nan 0.000 0.615 580 G N -0.847 108.055 108.800 0.169 0.000 2.712 580 G HA2 -0.098 3.861 3.960 -0.002 0.000 0.212 580 G HA3 -0.098 3.861 3.960 -0.002 0.000 0.212 580 G C -0.022 175.031 174.900 0.255 0.000 1.142 580 G CA 0.174 45.374 45.100 0.168 0.000 0.789 580 G HN -0.047 nan 8.290 nan 0.000 0.535 581 D N 0.265 120.775 120.400 0.183 0.000 2.280 581 D HA 0.256 4.895 4.640 -0.002 0.000 0.236 581 D C 1.531 177.864 176.300 0.054 0.000 1.082 581 D CA -0.544 53.520 54.000 0.106 0.000 0.834 581 D CB 1.538 42.380 40.800 0.069 0.000 1.100 581 D HN -0.067 nan 8.370 nan 0.000 0.486 582 L N 3.551 124.748 121.223 -0.043 0.000 2.265 582 L HA -0.170 4.169 4.340 -0.002 0.000 0.215 582 L C 1.759 178.618 176.870 -0.018 0.000 1.117 582 L CA 0.651 55.408 54.840 -0.140 0.000 0.782 582 L CB -0.215 41.747 42.059 -0.162 0.000 0.914 582 L HN 0.400 nan 8.230 nan 0.000 0.441 583 N N -0.656 118.056 118.700 0.020 0.000 2.396 583 N HA -0.127 4.612 4.740 -0.002 0.000 0.180 583 N C 1.654 177.195 175.510 0.052 0.000 1.028 583 N CA 1.229 54.301 53.050 0.037 0.000 0.893 583 N CB 0.254 38.761 38.487 0.034 0.000 0.967 583 N HN 0.305 nan 8.380 nan 0.000 0.440 584 S N -2.052 113.690 115.700 0.070 0.000 2.604 584 S HA 0.190 4.659 4.470 -0.002 0.000 0.235 584 S C 0.356 175.049 174.600 0.156 0.000 1.043 584 S CA -0.517 57.743 58.200 0.100 0.000 0.997 584 S CB -0.135 63.120 63.200 0.092 0.000 0.956 584 S HN -0.007 nan 8.310 nan 0.000 0.535 585 V N 4.652 124.664 119.914 0.163 0.000 2.585 585 V HA 0.315 4.434 4.120 -0.002 0.000 0.296 585 V C -2.601 173.578 176.094 0.141 0.000 1.035 585 V CA -1.771 60.662 62.300 0.221 0.000 1.084 585 V CB 0.453 32.429 31.823 0.256 0.000 0.953 585 V HN 0.192 nan 8.190 nan 0.000 0.483 586 P HA 0.137 nan 4.420 nan 0.000 0.267 586 P C 0.555 177.884 177.300 0.049 0.000 1.205 586 P CA 0.127 63.276 63.100 0.081 0.000 0.765 586 P CB 0.466 32.207 31.700 0.069 0.000 0.828 587 E N 1.957 122.184 120.200 0.045 0.000 2.153 587 E HA -0.210 4.138 4.350 -0.002 0.000 0.194 587 E C 1.084 177.690 176.600 0.011 0.000 0.988 587 E CA 1.287 57.705 56.400 0.030 0.000 0.811 587 E CB -0.140 29.579 29.700 0.031 0.000 0.746 587 E HN 0.635 nan 8.360 nan 0.000 0.466 588 D N 0.260 120.668 120.400 0.013 0.000 2.392 588 D HA -0.138 4.501 4.640 -0.002 0.000 0.228 588 D C 1.397 177.712 176.300 0.024 0.000 1.003 588 D CA 0.684 54.688 54.000 0.007 0.000 0.917 588 D CB -0.077 40.730 40.800 0.012 0.000 0.890 588 D HN 0.253 nan 8.370 nan 0.000 0.532 589 L N -0.569 120.661 121.223 0.010 0.000 3.086 589 L HA 0.327 4.666 4.340 -0.002 0.000 0.274 589 L C 2.058 178.918 176.870 -0.017 0.000 1.184 589 L CA -0.294 54.566 54.840 0.033 0.000 1.002 589 L CB 0.355 42.303 42.059 -0.185 0.000 1.383 589 L HN -0.086 nan 8.230 nan 0.000 0.582 590 I N 0.885 121.460 120.570 0.008 0.000 2.145 590 I HA -0.352 3.817 4.170 -0.002 0.000 0.244 590 I C 2.022 178.160 176.117 0.034 0.000 1.075 590 I CA 1.893 63.233 61.300 0.067 0.000 1.332 590 I CB 0.184 38.194 38.000 0.016 0.000 1.033 590 I HN 0.261 nan 8.210 nan 0.000 0.410 591 L N -1.127 120.031 121.223 -0.108 0.000 2.552 591 L HA -0.136 4.202 4.340 -0.002 0.000 0.227 591 L C 1.861 178.585 176.870 -0.244 0.000 1.146 591 L CA 0.433 55.177 54.840 -0.159 0.000 0.858 591 L CB -0.541 41.390 42.059 -0.213 0.000 0.969 591 L HN 0.416 nan 8.230 nan 0.000 0.451 592 W N -0.540 120.483 121.300 -0.462 0.000 2.425 592 W HA -0.127 4.532 4.660 -0.002 0.000 0.277 592 W C 1.654 177.715 176.519 -0.763 0.000 1.231 592 W CA 0.662 57.553 57.345 -0.756 0.000 1.248 592 W CB 0.065 28.691 29.460 -1.390 0.000 1.117 592 W HN 0.085 nan 8.180 nan 0.000 0.568 593 F N -3.918 116.068 119.950 0.059 0.000 2.789 593 F HA 0.222 4.748 4.527 -0.002 0.000 0.320 593 F C 0.449 176.021 175.800 -0.381 0.000 1.079 593 F CA -0.232 57.659 58.000 -0.181 0.000 1.205 593 F CB -0.437 38.404 39.000 -0.264 0.000 1.046 593 F HN -0.277 nan 8.300 nan 0.000 0.586 594 H N -0.355 118.796 119.070 0.136 0.000 2.679 594 H HA 0.239 4.794 4.556 -0.002 0.000 0.360 594 H C -0.977 174.351 175.328 0.000 0.000 1.105 594 H CA -0.496 55.587 56.048 0.059 0.000 1.196 594 H CB 1.852 31.609 29.762 -0.009 0.000 1.636 594 H HN 0.005 nan 8.280 nan 0.000 0.531 595 H N 4.398 123.480 119.070 0.020 0.000 2.594 595 H HA 0.318 4.872 4.556 -0.002 0.000 0.304 595 H C -1.014 174.251 175.328 -0.106 0.000 1.068 595 H CA -0.372 55.628 56.048 -0.079 0.000 1.308 595 H CB 0.341 30.035 29.762 -0.114 0.000 1.409 595 H HN 0.444 nan 8.280 nan 0.000 0.460 596 L N 3.740 124.655 121.223 -0.514 0.000 2.354 596 L HA 0.228 4.567 4.340 -0.002 0.000 0.269 596 L C 0.624 177.196 176.870 -0.496 0.000 1.005 596 L CA -1.027 53.570 54.840 -0.405 0.000 0.819 596 L CB 2.059 43.886 42.059 -0.388 0.000 1.311 596 L HN 0.611 nan 8.230 nan 0.000 0.423 597 S N -0.146 115.401 115.700 -0.254 0.000 2.572 597 S HA 0.043 4.512 4.470 -0.002 0.000 0.279 597 S C 0.559 175.104 174.600 -0.093 0.000 1.341 597 S CA -0.269 57.830 58.200 -0.168 0.000 1.043 597 S CB 0.349 63.546 63.200 -0.004 0.000 0.887 597 S HN 0.627 nan 8.310 nan 0.000 0.516 598 W N 0.434 121.742 121.300 0.015 0.000 2.468 598 W HA -0.002 4.657 4.660 -0.002 0.000 0.262 598 W C 1.327 177.903 176.519 0.096 0.000 1.241 598 W CA 0.272 57.655 57.345 0.064 0.000 1.232 598 W CB -0.097 29.391 29.460 0.046 0.000 1.124 598 W HN 0.677 nan 8.180 nan 0.000 0.597 599 D N -1.484 119.079 120.400 0.271 0.000 2.340 599 D HA -0.049 4.590 4.640 -0.002 0.000 0.220 599 D C 0.101 176.487 176.300 0.142 0.000 1.039 599 D CA 0.410 54.521 54.000 0.185 0.000 0.866 599 D CB -0.463 40.416 40.800 0.130 0.000 0.913 599 D HN 0.157 nan 8.370 nan 0.000 0.523 600 H N 1.711 120.815 119.070 0.057 0.000 3.034 600 H HA 0.038 4.593 4.556 -0.002 0.000 0.324 600 H C 0.111 175.457 175.328 0.030 0.000 1.015 600 H CA 0.269 56.327 56.048 0.017 0.000 1.429 600 H CB 0.354 30.099 29.762 -0.028 0.000 1.429 600 H HN -0.228 nan 8.280 nan 0.000 0.585 601 R N 5.553 125.727 120.500 -0.543 0.000 2.265 601 R HA 0.188 4.527 4.340 -0.002 0.000 0.314 601 R C -0.016 175.973 176.300 -0.519 0.000 1.053 601 R CA -0.710 55.158 56.100 -0.386 0.000 0.931 601 R CB 0.845 31.020 30.300 -0.208 0.000 1.024 601 R HN 0.618 nan 8.270 nan 0.000 0.457 602 M N 1.854 121.305 119.600 -0.248 0.000 2.245 602 M HA 0.115 4.594 4.480 -0.002 0.000 0.292 602 M C 1.625 177.870 176.300 -0.091 0.000 1.176 602 M CA -0.094 55.128 55.300 -0.131 0.000 1.035 602 M CB 0.674 33.250 32.600 -0.039 0.000 1.440 602 M HN 0.525 nan 8.290 nan 0.000 0.494 603 Q N 0.430 120.203 119.800 -0.045 0.000 2.152 603 Q HA -0.164 4.175 4.340 -0.002 0.000 0.206 603 Q C 1.791 177.765 176.000 -0.043 0.000 0.985 603 Q CA 2.168 57.952 55.803 -0.033 0.000 0.863 603 Q CB -0.147 28.586 28.738 -0.009 0.000 0.904 603 Q HN 0.881 nan 8.270 nan 0.000 0.422 604 S N -1.564 114.102 115.700 -0.055 0.000 2.515 604 S HA 0.050 4.519 4.470 -0.002 0.000 0.231 604 S C 1.497 176.053 174.600 -0.074 0.000 0.987 604 S CA 0.751 58.906 58.200 -0.074 0.000 0.936 604 S CB 0.349 63.480 63.200 -0.116 0.000 0.766 604 S HN 0.569 nan 8.310 nan 0.000 0.528 605 G N 0.893 109.652 108.800 -0.069 0.000 2.232 605 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.226 605 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.226 605 G C 0.207 175.074 174.900 -0.055 0.000 0.996 605 G CA -0.159 44.904 45.100 -0.061 0.000 0.626 605 G HN 0.572 nan 8.290 nan 0.000 0.509 606 R N 1.250 121.714 120.500 -0.061 0.000 2.539 606 R HA 0.399 4.738 4.340 -0.002 0.000 0.275 606 R C 0.842 177.134 176.300 -0.014 0.000 1.077 606 R CA 0.111 56.191 56.100 -0.034 0.000 1.097 606 R CB 0.316 30.585 30.300 -0.052 0.000 1.018 606 R HN 0.611 nan 8.270 nan 0.000 0.483 607 N N 1.357 120.079 118.700 0.037 0.000 2.354 607 N HA -0.070 4.669 4.740 -0.002 0.000 0.246 607 N C 0.758 176.355 175.510 0.144 0.000 1.285 607 N CA -0.417 52.684 53.050 0.085 0.000 0.925 607 N CB 0.359 38.933 38.487 0.144 0.000 1.174 607 N HN 0.446 nan 8.380 nan 0.000 0.478 608 L N -0.175 121.182 121.223 0.222 0.000 2.042 608 L HA -0.040 4.299 4.340 -0.002 0.000 0.210 608 L C 1.911 179.027 176.870 0.410 0.000 1.076 608 L CA 1.467 56.470 54.840 0.270 0.000 0.749 608 L CB -0.877 41.331 42.059 0.248 0.000 0.893 608 L HN 0.795 nan 8.230 nan 0.000 0.432 609 W N 0.292 121.823 121.300 0.384 0.000 2.355 609 W HA -0.275 4.384 4.660 -0.002 0.000 0.309 609 W C 2.150 178.724 176.519 0.092 0.000 1.206 609 W CA 1.771 59.241 57.345 0.208 0.000 1.284 609 W CB -0.212 29.203 29.460 -0.074 0.000 1.145 609 W HN 0.322 nan 8.180 nan 0.000 0.502 610 Q N 0.144 119.891 119.800 -0.089 0.000 2.124 610 Q HA -0.275 4.064 4.340 -0.002 0.000 0.202 610 Q C 2.035 177.956 176.000 -0.131 0.000 0.977 610 Q CA 2.095 57.787 55.803 -0.185 0.000 0.850 610 Q CB -0.325 28.416 28.738 0.006 0.000 0.901 610 Q HN 0.220 nan 8.270 nan 0.000 0.429 611 E N 0.948 121.126 120.200 -0.037 0.000 2.072 611 E HA -0.151 4.198 4.350 -0.002 0.000 0.191 611 E C 1.756 178.354 176.600 -0.003 0.000 0.985 611 E CA 0.582 56.985 56.400 0.005 0.000 0.801 611 E CB -0.208 29.504 29.700 0.020 0.000 0.750 611 E HN 0.324 nan 8.360 nan 0.000 0.452 612 L N -0.329 120.869 121.223 -0.041 0.000 1.990 612 L HA -0.213 4.126 4.340 -0.002 0.000 0.213 612 L C 2.190 179.033 176.870 -0.045 0.000 1.072 612 L CA 1.569 56.392 54.840 -0.029 0.000 0.755 612 L CB -0.356 41.725 42.059 0.038 0.000 0.889 612 L HN 0.101 nan 8.230 nan 0.000 0.432 613 V N -0.470 119.233 119.914 -0.351 0.000 2.287 613 V HA -0.365 3.754 4.120 -0.002 0.000 0.248 613 V C 2.451 178.413 176.094 -0.220 0.000 1.053 613 V CA 2.246 64.314 62.300 -0.386 0.000 1.027 613 V CB -0.975 30.359 31.823 -0.814 0.000 0.646 613 V HN 0.678 nan 8.190 nan 0.000 0.447 614 H N 0.503 119.417 119.070 -0.260 0.000 2.319 614 H HA -0.162 4.393 4.556 -0.002 0.000 0.297 614 H C 2.290 177.631 175.328 0.023 0.000 1.097 614 H CA 1.907 57.916 56.048 -0.066 0.000 1.285 614 H CB 0.056 29.838 29.762 0.033 0.000 1.368 614 H HN 0.160 nan 8.280 nan 0.000 0.495 615 K N -0.098 120.309 120.400 0.012 0.000 2.057 615 K HA -0.155 4.164 4.320 -0.002 0.000 0.206 615 K C 2.237 178.763 176.600 -0.123 0.000 1.050 615 K CA 1.493 57.729 56.287 -0.084 0.000 0.935 615 K CB -0.776 31.646 32.500 -0.131 0.000 0.715 615 K HN 0.454 nan 8.250 nan 0.000 0.439 616 Y N -0.178 120.092 120.300 -0.051 0.000 2.181 616 Y HA -0.243 4.306 4.550 -0.002 0.000 0.288 616 Y C 2.328 178.175 175.900 -0.089 0.000 1.146 616 Y CA 1.502 59.572 58.100 -0.049 0.000 1.164 616 Y CB -0.419 38.011 38.460 -0.050 0.000 0.982 616 Y HN 0.089 nan 8.280 nan 0.000 0.515 617 Y N -0.439 119.840 120.300 -0.034 0.000 2.242 617 Y HA -0.288 4.261 4.550 -0.001 0.000 0.291 617 Y C 2.698 178.565 175.900 -0.055 0.000 1.137 617 Y CA 1.620 59.687 58.100 -0.055 0.000 1.181 617 Y CB -0.365 38.035 38.460 -0.100 0.000 0.989 617 Y HN 0.161 nan 8.280 nan 0.000 0.527 618 Q N -0.013 119.778 119.800 -0.015 0.000 2.124 618 Q HA -0.157 4.182 4.340 -0.002 0.000 0.202 618 Q C 2.457 178.457 176.000 0.001 0.000 0.977 618 Q CA 1.540 57.303 55.803 -0.068 0.000 0.850 618 Q CB -0.480 28.155 28.738 -0.173 0.000 0.901 618 Q HN 0.543 nan 8.270 nan 0.000 0.429 619 G N 0.018 108.833 108.800 0.025 0.000 2.440 619 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.218 619 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.218 619 G C 1.410 176.401 174.900 0.152 0.000 1.154 619 G CA 1.019 46.198 45.100 0.133 0.000 0.767 619 G HN 0.303 nan 8.290 nan 0.000 0.552 620 V N 0.661 120.599 119.914 0.039 0.000 2.343 620 V HA -0.117 4.002 4.120 -0.002 0.000 0.247 620 V C 2.817 178.897 176.094 -0.024 0.000 1.051 620 V CA 1.915 64.174 62.300 -0.069 0.000 1.036 620 V CB -0.273 31.477 31.823 -0.121 0.000 0.654 620 V HN 0.288 nan 8.190 nan 0.000 0.451 621 E N -0.073 120.137 120.200 0.017 0.000 2.110 621 E HA -0.230 4.119 4.350 -0.002 0.000 0.193 621 E C 2.273 178.887 176.600 0.022 0.000 0.988 621 E CA 1.168 57.585 56.400 0.028 0.000 0.804 621 E CB -0.239 29.489 29.700 0.046 0.000 0.745 621 E HN 0.692 nan 8.360 nan 0.000 0.458 622 Q N 0.146 119.963 119.800 0.028 0.000 2.084 622 Q HA -0.099 4.240 4.340 -0.002 0.000 0.202 622 Q C 2.357 178.371 176.000 0.022 0.000 0.978 622 Q CA 1.280 57.101 55.803 0.030 0.000 0.844 622 Q CB -0.020 28.741 28.738 0.037 0.000 0.898 622 Q HN 0.099 nan 8.270 nan 0.000 0.426 623 V N 0.898 120.822 119.914 0.016 0.000 2.343 623 V HA -0.285 3.834 4.120 -0.002 0.000 0.247 623 V C 2.132 178.210 176.094 -0.028 0.000 1.051 623 V CA 1.910 64.196 62.300 -0.023 0.000 1.036 623 V CB -0.503 31.261 31.823 -0.099 0.000 0.654 623 V HN 0.295 nan 8.190 nan 0.000 0.451 624 R N 0.178 120.666 120.500 -0.020 0.000 2.096 624 R HA -0.109 4.230 4.340 -0.002 0.000 0.235 624 R C 2.414 178.723 176.300 0.016 0.000 1.127 624 R CA 1.458 57.556 56.100 -0.003 0.000 0.968 624 R CB -0.582 29.720 30.300 0.003 0.000 0.861 624 R HN 0.543 nan 8.270 nan 0.000 0.440 625 A N 0.872 123.703 122.820 0.018 0.000 1.930 625 A HA -0.127 4.192 4.320 -0.002 0.000 0.217 625 A C 2.141 179.745 177.584 0.033 0.000 1.175 625 A CA 1.153 53.206 52.037 0.027 0.000 0.627 625 A CB -0.348 18.667 19.000 0.025 0.000 0.815 625 A HN 0.172 nan 8.150 nan 0.000 0.443 626 M N -0.910 118.701 119.600 0.019 0.000 2.117 626 M HA -0.227 4.252 4.480 -0.002 0.000 0.262 626 M C 2.442 178.777 176.300 0.058 0.000 1.065 626 M CA 1.588 56.898 55.300 0.016 0.000 1.114 626 M CB -0.581 31.997 32.600 -0.038 0.000 1.361 626 M HN 0.518 nan 8.290 nan 0.000 0.408 627 Q N -0.005 119.820 119.800 0.042 0.000 2.030 627 Q HA -0.190 4.149 4.340 -0.002 0.000 0.204 627 Q C 2.152 178.228 176.000 0.127 0.000 0.986 627 Q CA 1.568 57.417 55.803 0.076 0.000 0.843 627 Q CB -0.212 28.549 28.738 0.037 0.000 0.904 627 Q HN 0.519 nan 8.270 nan 0.000 0.420 628 R N -0.275 120.279 120.500 0.091 0.000 2.081 628 R HA -0.091 4.248 4.340 -0.002 0.000 0.235 628 R C 2.424 178.790 176.300 0.111 0.000 1.131 628 R CA 1.636 57.791 56.100 0.092 0.000 0.960 628 R CB -0.482 29.856 30.300 0.062 0.000 0.856 628 R HN 0.239 nan 8.270 nan 0.000 0.436 629 T N 0.530 115.151 114.554 0.111 0.000 2.684 629 T HA -0.228 4.121 4.350 -0.002 0.000 0.267 629 T C 1.264 176.074 174.700 0.184 0.000 1.036 629 T CA 1.281 63.451 62.100 0.116 0.000 1.148 629 T CB -0.307 68.618 68.868 0.095 0.000 0.863 629 T HN 0.483 nan 8.240 nan 0.000 0.436 630 W N 2.008 123.332 121.300 0.040 0.000 2.338 630 W HA -0.168 4.490 4.660 -0.002 0.000 0.304 630 W C 1.560 178.230 176.519 0.252 0.000 1.212 630 W CA 1.243 58.643 57.345 0.090 0.000 1.264 630 W CB -0.218 29.231 29.460 -0.017 0.000 1.142 630 W HN 0.264 nan 8.180 nan 0.000 0.512 631 D N 0.073 120.613 120.400 0.234 0.000 2.182 631 D HA -0.205 4.434 4.640 -0.002 0.000 0.201 631 D C 1.932 178.309 176.300 0.128 0.000 0.986 631 D CA 1.434 55.587 54.000 0.254 0.000 0.847 631 D CB -0.515 40.403 40.800 0.197 0.000 0.942 631 D HN 0.409 nan 8.370 nan 0.000 0.467 632 Q N -0.330 119.516 119.800 0.076 0.000 2.482 632 Q HA -0.018 4.321 4.340 -0.002 0.000 0.209 632 Q C 0.885 176.902 176.000 0.028 0.000 0.961 632 Q CA 0.463 56.289 55.803 0.038 0.000 0.945 632 Q CB 0.325 29.098 28.738 0.059 0.000 1.012 632 Q HN 0.203 nan 8.270 nan 0.000 0.515 633 Q N -0.426 119.355 119.800 -0.031 0.000 2.219 633 Q HA 0.029 4.368 4.340 -0.002 0.000 0.209 633 Q C 0.810 176.661 176.000 -0.249 0.000 0.854 633 Q CA 0.122 55.943 55.803 0.029 0.000 0.960 633 Q CB 0.556 29.278 28.738 -0.028 0.000 1.116 633 Q HN 0.437 nan 8.270 nan 0.000 0.500 634 E N 1.420 121.295 120.200 -0.542 0.000 2.130 634 E HA -0.188 4.161 4.350 -0.002 0.000 0.196 634 E C 1.486 177.685 176.600 -0.669 0.000 0.998 634 E CA 1.297 57.065 56.400 -1.053 0.000 0.806 634 E CB 0.189 29.233 29.700 -1.093 0.000 0.738 634 E HN 0.350 nan 8.360 nan 0.000 0.459 635 A N -0.486 121.980 122.820 -0.590 0.000 2.172 635 A HA -0.116 4.203 4.320 -0.002 0.000 0.216 635 A C 1.039 178.242 177.584 -0.636 0.000 1.154 635 A CA 0.846 52.508 52.037 -0.624 0.000 0.701 635 A CB -0.309 18.257 19.000 -0.723 0.000 0.789 635 A HN 0.383 nan 8.150 nan 0.000 0.465 636 Y N -1.696 118.452 120.300 -0.253 0.000 2.444 636 Y HA 0.354 4.903 4.550 -0.002 0.000 0.249 636 Y C 0.334 176.004 175.900 -0.383 0.000 1.134 636 Y CA -0.467 57.448 58.100 -0.309 0.000 1.261 636 Y CB 0.283 38.526 38.460 -0.361 0.000 1.143 636 Y HN -0.005 nan 8.280 nan 0.000 0.523 637 V N 1.679 121.485 119.914 -0.181 0.000 2.769 637 V HA 0.171 4.290 4.120 -0.002 0.000 0.312 637 V C -0.307 175.792 176.094 0.009 0.000 1.061 637 V CA -1.595 60.669 62.300 -0.060 0.000 0.931 637 V CB 1.836 33.658 31.823 -0.003 0.000 1.010 637 V HN 0.198 nan 8.190 nan 0.000 0.433 638 D N 2.854 123.316 120.400 0.103 0.000 2.423 638 D HA 0.080 4.719 4.640 -0.002 0.000 0.238 638 D C 1.144 177.534 176.300 0.149 0.000 1.142 638 D CA 0.343 54.398 54.000 0.092 0.000 0.884 638 D CB 1.806 42.668 40.800 0.104 0.000 1.199 638 D HN 0.563 nan 8.370 nan 0.000 0.438 639 A N 2.682 125.563 122.820 0.102 0.000 1.917 639 A HA -0.102 4.217 4.320 -0.002 0.000 0.219 639 A C 2.274 179.998 177.584 0.234 0.000 1.182 639 A CA 2.594 54.719 52.037 0.146 0.000 0.633 639 A CB -0.969 18.079 19.000 0.080 0.000 0.819 639 A HN 0.780 nan 8.150 nan 0.000 0.448 640 A N -0.385 122.546 122.820 0.185 0.000 1.858 640 A HA -0.155 4.164 4.320 -0.002 0.000 0.216 640 A C 2.269 179.993 177.584 0.233 0.000 1.190 640 A CA 1.558 53.701 52.037 0.178 0.000 0.617 640 A CB -0.495 18.581 19.000 0.127 0.000 0.827 640 A HN 0.533 nan 8.150 nan 0.000 0.443 641 R N -2.070 118.603 120.500 0.288 0.000 2.115 641 R HA -0.073 4.266 4.340 -0.002 0.000 0.230 641 R C 1.998 178.591 176.300 0.487 0.000 1.111 641 R CA 1.378 57.702 56.100 0.374 0.000 0.976 641 R CB -0.460 30.130 30.300 0.482 0.000 0.870 641 R HN 0.603 nan 8.270 nan 0.000 0.445 642 F N 1.510 121.695 119.950 0.392 0.000 2.069 642 F HA -0.208 4.318 4.527 -0.002 0.000 0.298 642 F C 2.293 178.356 175.800 0.438 0.000 1.113 642 F CA 1.596 59.878 58.000 0.470 0.000 1.214 642 F CB -0.414 38.684 39.000 0.163 0.000 0.978 642 F HN -0.027 nan 8.300 nan 0.000 0.474 643 A N -0.129 122.867 122.820 0.294 0.000 1.902 643 A HA -0.268 4.051 4.320 -0.002 0.000 0.217 643 A C 2.262 179.878 177.584 0.053 0.000 1.181 643 A CA 1.818 53.938 52.037 0.139 0.000 0.623 643 A CB -1.095 18.016 19.000 0.184 0.000 0.818 643 A HN 0.651 nan 8.150 nan 0.000 0.443 644 Q N -0.254 119.602 119.800 0.093 0.000 2.050 644 Q HA -0.129 4.210 4.340 -0.002 0.000 0.202 644 Q C 1.947 177.913 176.000 -0.056 0.000 0.980 644 Q CA 2.094 57.919 55.803 0.038 0.000 0.840 644 Q CB -0.201 28.581 28.738 0.073 0.000 0.898 644 Q HN 0.394 nan 8.270 nan 0.000 0.424 645 V N 1.450 121.319 119.914 -0.076 0.000 2.427 645 V HA -0.246 3.873 4.120 -0.002 0.000 0.248 645 V C 2.417 178.284 176.094 -0.379 0.000 1.051 645 V CA 2.077 64.171 62.300 -0.343 0.000 1.048 645 V CB -0.664 30.753 31.823 -0.676 0.000 0.666 645 V HN 0.402 nan 8.190 nan 0.000 0.456 646 K N 0.647 120.916 120.400 -0.219 0.000 2.032 646 K HA -0.206 4.113 4.320 -0.002 0.000 0.209 646 K C 2.179 178.728 176.600 -0.085 0.000 1.048 646 K CA 1.780 57.992 56.287 -0.126 0.000 0.927 646 K CB -0.360 32.014 32.500 -0.211 0.000 0.712 646 K HN 0.409 nan 8.250 nan 0.000 0.441 647 A N 1.277 124.060 122.820 -0.063 0.000 1.898 647 A HA -0.088 4.231 4.320 -0.002 0.000 0.216 647 A C 2.148 179.712 177.584 -0.034 0.000 1.181 647 A CA 1.254 53.276 52.037 -0.026 0.000 0.620 647 A CB -0.596 18.405 19.000 0.001 0.000 0.819 647 A HN 0.336 nan 8.150 nan 0.000 0.442 648 L N -0.671 120.512 121.223 -0.067 0.000 2.046 648 L HA -0.189 4.150 4.340 -0.002 0.000 0.208 648 L C 2.508 179.358 176.870 -0.033 0.000 1.077 648 L CA 1.049 55.865 54.840 -0.039 0.000 0.747 648 L CB -0.566 41.421 42.059 -0.120 0.000 0.896 648 L HN 0.362 nan 8.230 nan 0.000 0.432 649 L N -0.739 120.432 121.223 -0.088 0.000 2.131 649 L HA -0.237 4.102 4.340 -0.002 0.000 0.210 649 L C 2.702 179.525 176.870 -0.079 0.000 1.092 649 L CA 1.189 55.970 54.840 -0.099 0.000 0.759 649 L CB -0.411 41.569 42.059 -0.133 0.000 0.903 649 L HN 0.362 nan 8.230 nan 0.000 0.435 650 Q N -0.872 118.898 119.800 -0.049 0.000 2.079 650 Q HA -0.163 4.176 4.340 -0.002 0.000 0.200 650 Q C 2.337 178.315 176.000 -0.037 0.000 0.974 650 Q CA 1.392 57.176 55.803 -0.031 0.000 0.840 650 Q CB -0.169 28.566 28.738 -0.004 0.000 0.898 650 Q HN 0.360 nan 8.270 nan 0.000 0.430 651 V N 1.029 120.929 119.914 -0.024 0.000 2.358 651 V HA -0.296 3.823 4.120 -0.002 0.000 0.246 651 V C 2.324 178.356 176.094 -0.103 0.000 1.047 651 V CA 2.065 64.362 62.300 -0.005 0.000 1.035 651 V CB -0.661 31.200 31.823 0.063 0.000 0.658 651 V HN 0.403 nan 8.190 nan 0.000 0.452 652 Q N -0.138 119.541 119.800 -0.202 0.000 2.061 652 Q HA -0.271 4.068 4.340 -0.002 0.000 0.204 652 Q C 2.438 178.207 176.000 -0.386 0.000 0.984 652 Q CA 1.996 57.512 55.803 -0.479 0.000 0.846 652 Q CB -0.207 28.297 28.738 -0.390 0.000 0.902 652 Q HN 0.656 nan 8.270 nan 0.000 0.421 653 E N 0.644 120.706 120.200 -0.230 0.000 2.077 653 E HA -0.237 4.112 4.350 -0.002 0.000 0.193 653 E C 2.034 178.541 176.600 -0.155 0.000 0.989 653 E CA 1.102 57.386 56.400 -0.193 0.000 0.800 653 E CB -0.096 29.539 29.700 -0.109 0.000 0.746 653 E HN 0.297 nan 8.360 nan 0.000 0.452 654 R N 0.188 120.632 120.500 -0.094 0.000 2.073 654 R HA -0.130 4.209 4.340 -0.002 0.000 0.234 654 R C 2.256 178.540 176.300 -0.027 0.000 1.134 654 R CA 1.508 57.590 56.100 -0.030 0.000 0.952 654 R CB 0.002 30.311 30.300 0.014 0.000 0.850 654 R HN 0.071 nan 8.270 nan 0.000 0.433 655 E N 0.095 120.260 120.200 -0.057 0.000 2.106 655 E HA -0.144 4.205 4.350 -0.002 0.000 0.192 655 E C 1.817 178.445 176.600 0.047 0.000 0.984 655 E CA 1.209 57.621 56.400 0.020 0.000 0.806 655 E CB -0.168 29.558 29.700 0.043 0.000 0.750 655 E HN 0.431 nan 8.360 nan 0.000 0.458 656 A N 0.874 123.533 122.820 -0.269 0.000 1.933 656 A HA -0.127 4.192 4.320 -0.002 0.000 0.218 656 A C 2.593 180.048 177.584 -0.216 0.000 1.175 656 A CA 1.301 52.980 52.037 -0.597 0.000 0.628 656 A CB -0.595 17.712 19.000 -1.155 0.000 0.814 656 A HN 0.134 nan 8.150 nan 0.000 0.444 657 V N -0.062 119.763 119.914 -0.148 0.000 2.343 657 V HA -0.257 3.862 4.120 -0.002 0.000 0.247 657 V C 2.639 178.705 176.094 -0.047 0.000 1.051 657 V CA 2.316 64.560 62.300 -0.093 0.000 1.036 657 V CB -0.786 31.013 31.823 -0.040 0.000 0.654 657 V HN 0.671 nan 8.190 nan 0.000 0.451 658 R N -1.430 119.088 120.500 0.031 0.000 2.081 658 R HA -0.208 4.131 4.340 -0.002 0.000 0.235 658 R C 2.158 178.424 176.300 -0.058 0.000 1.131 658 R CA 2.074 58.203 56.100 0.048 0.000 0.960 658 R CB -0.331 30.026 30.300 0.094 0.000 0.856 658 R HN 0.554 nan 8.270 nan 0.000 0.436 659 W N 0.799 122.039 121.300 -0.100 0.000 2.335 659 W HA -0.147 4.512 4.660 -0.002 0.000 0.311 659 W C 2.672 179.111 176.519 -0.132 0.000 1.213 659 W CA 1.771 59.072 57.345 -0.074 0.000 1.274 659 W CB -0.223 29.282 29.460 0.075 0.000 1.148 659 W HN 0.123 nan 8.180 nan 0.000 0.498 660 R N 0.398 120.965 120.500 0.111 0.000 2.070 660 R HA -0.202 4.137 4.340 -0.002 0.000 0.233 660 R C 1.826 177.939 176.300 -0.312 0.000 1.137 660 R CA 2.077 58.121 56.100 -0.093 0.000 0.945 660 R CB -0.718 29.445 30.300 -0.228 0.000 0.845 660 R HN 0.126 nan 8.270 nan 0.000 0.430 661 N N 0.292 118.773 118.700 -0.365 0.000 2.120 661 N HA -0.107 4.632 4.740 -0.002 0.000 0.188 661 N C 1.838 177.006 175.510 -0.571 0.000 1.024 661 N CA 1.805 54.541 53.050 -0.525 0.000 0.852 661 N CB -0.425 37.580 38.487 -0.803 0.000 1.003 661 N HN 0.149 nan 8.380 nan 0.000 0.424 662 S N 0.045 115.423 115.700 -0.538 0.000 2.356 662 S HA -0.098 4.371 4.470 -0.002 0.000 0.223 662 S C 2.301 176.838 174.600 -0.104 0.000 1.032 662 S CA 0.946 59.022 58.200 -0.206 0.000 1.005 662 S CB -0.430 62.710 63.200 -0.100 0.000 0.867 662 S HN 0.449 nan 8.310 nan 0.000 0.449 663 C N 0.900 120.049 119.300 -0.253 0.000 2.476 663 C HA 0.046 4.505 4.460 -0.002 0.000 0.278 663 C C 2.698 177.555 174.990 -0.221 0.000 1.274 663 C CA 0.207 59.029 59.018 -0.326 0.000 1.713 663 C CB -1.272 26.175 27.740 -0.488 0.000 2.039 663 C HN 0.396 nan 8.230 nan 0.000 0.484 664 V N 1.162 120.894 119.914 -0.305 0.000 2.332 664 V HA -0.226 3.893 4.120 -0.002 0.000 0.248 664 V C 2.329 178.497 176.094 0.123 0.000 1.055 664 V CA 1.901 64.163 62.300 -0.063 0.000 1.038 664 V CB -0.631 31.135 31.823 -0.095 0.000 0.651 664 V HN 0.552 nan 8.190 nan 0.000 0.450 665 L N -1.434 119.815 121.223 0.044 0.000 2.141 665 L HA -0.177 4.162 4.340 -0.002 0.000 0.209 665 L C 2.455 179.390 176.870 0.108 0.000 1.094 665 L CA 1.747 56.645 54.840 0.096 0.000 0.763 665 L CB -0.653 41.462 42.059 0.092 0.000 0.908 665 L HN 0.454 nan 8.230 nan 0.000 0.437 666 Y N 0.401 120.697 120.300 -0.007 0.000 2.109 666 Y HA -0.262 4.287 4.550 -0.001 0.000 0.285 666 Y C 2.270 178.141 175.900 -0.049 0.000 1.131 666 Y CA 1.414 59.492 58.100 -0.037 0.000 1.121 666 Y CB -0.536 37.858 38.460 -0.111 0.000 0.987 666 Y HN -0.037 nan 8.280 nan 0.000 0.495 667 F N 1.099 120.988 119.950 -0.102 0.000 2.216 667 F HA -0.199 4.327 4.527 -0.002 0.000 0.300 667 F C 2.762 178.418 175.800 -0.240 0.000 1.085 667 F CA 1.780 59.700 58.000 -0.132 0.000 1.326 667 F CB -1.136 38.017 39.000 0.255 0.000 1.027 667 F HN 0.225 nan 8.300 nan 0.000 0.497 668 Q N 0.530 120.360 119.800 0.049 0.000 2.096 668 Q HA -0.222 4.117 4.340 -0.002 0.000 0.204 668 Q C 2.360 178.184 176.000 -0.294 0.000 0.982 668 Q CA 2.305 57.946 55.803 -0.269 0.000 0.850 668 Q CB -0.213 28.533 28.738 0.014 0.000 0.901 668 Q HN 0.446 nan 8.270 nan 0.000 0.422 669 S N -1.131 114.455 115.700 -0.190 0.000 2.442 669 S HA -0.083 4.386 4.470 -0.002 0.000 0.236 669 S C 1.764 176.251 174.600 -0.188 0.000 1.007 669 S CA 1.198 59.301 58.200 -0.161 0.000 0.965 669 S CB -0.114 63.032 63.200 -0.090 0.000 0.773 669 S HN 0.262 nan 8.310 nan 0.000 0.504 670 V N 1.480 121.243 119.914 -0.251 0.000 2.492 670 V HA 0.236 4.355 4.120 -0.002 0.000 0.241 670 V C 3.025 179.039 176.094 -0.133 0.000 1.041 670 V CA 1.159 63.377 62.300 -0.137 0.000 1.057 670 V CB -1.059 30.707 31.823 -0.094 0.000 0.711 670 V HN 0.607 nan 8.190 nan 0.000 0.468 671 A N -0.101 122.508 122.820 -0.351 0.000 1.970 671 A HA 0.280 4.599 4.320 -0.002 0.000 0.216 671 A C 1.967 179.207 177.584 -0.572 0.000 1.170 671 A CA 1.242 52.891 52.037 -0.646 0.000 0.645 671 A CB -0.750 17.265 19.000 -1.642 0.000 0.816 671 A HN 1.346 nan 8.150 nan 0.000 0.447 672 G N -0.703 107.791 108.800 -0.510 0.000 2.272 672 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.280 672 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.280 672 G C 0.034 174.661 174.900 -0.455 0.000 1.067 672 G CA 0.462 45.340 45.100 -0.370 0.000 0.902 672 G HN 0.686 nan 8.290 nan 0.000 0.500 673 R N -0.181 119.888 120.500 -0.718 0.000 2.807 673 R HA 0.593 4.932 4.340 -0.002 0.000 0.276 673 R C -2.633 173.434 176.300 -0.389 0.000 0.979 673 R CA -2.019 53.673 56.100 -0.680 0.000 0.928 673 R CB 2.247 31.802 30.300 -1.242 0.000 1.191 673 R HN 0.108 nan 8.270 nan 0.000 0.471 674 P HA 0.220 nan 4.420 nan 0.000 0.277 674 P C -0.406 177.096 177.300 0.337 0.000 1.240 674 P CA -0.372 62.784 63.100 0.095 0.000 0.798 674 P CB 0.626 32.366 31.700 0.066 0.000 0.979 675 I N 3.465 124.204 120.570 0.281 0.000 2.471 675 I HA 0.124 4.293 4.170 -0.002 0.000 0.286 675 I C -1.817 174.406 176.117 0.178 0.000 1.079 675 I CA -1.858 59.577 61.300 0.225 0.000 1.398 675 I CB -0.048 38.038 38.000 0.143 0.000 1.403 675 I HN 0.178 nan 8.210 nan 0.000 0.530 676 P HA -0.059 nan 4.420 nan 0.000 0.265 676 P C 0.401 177.778 177.300 0.128 0.000 1.187 676 P CA 0.065 63.271 63.100 0.178 0.000 0.766 676 P CB 0.773 32.613 31.700 0.234 0.000 0.820 677 A N 4.114 126.959 122.820 0.042 0.000 2.024 677 A HA -0.224 4.095 4.320 -0.002 0.000 0.220 677 A C 1.787 179.336 177.584 -0.058 0.000 1.164 677 A CA 1.748 53.787 52.037 0.003 0.000 0.643 677 A CB -1.085 17.911 19.000 -0.006 0.000 0.806 677 A HN 0.731 nan 8.150 nan 0.000 0.451 678 N N -1.166 117.435 118.700 -0.164 0.000 2.381 678 N HA -0.102 4.637 4.740 -0.002 0.000 0.182 678 N C -0.119 175.187 175.510 -0.341 0.000 1.025 678 N CA 0.459 53.345 53.050 -0.274 0.000 0.888 678 N CB -0.416 37.839 38.487 -0.387 0.000 0.965 678 N HN 0.486 nan 8.380 nan 0.000 0.438 679 Y N 1.585 121.778 120.300 -0.179 0.000 2.301 679 Y HA 0.182 4.731 4.550 -0.002 0.000 0.328 679 Y C 0.841 176.678 175.900 -0.105 0.000 1.242 679 Y CA -0.958 56.963 58.100 -0.298 0.000 1.323 679 Y CB 0.534 38.514 38.460 -0.801 0.000 1.266 679 Y HN -0.003 nan 8.280 nan 0.000 0.527 680 E N 2.760 123.090 120.200 0.217 0.000 2.351 680 E HA -0.009 4.340 4.350 -0.002 0.000 0.266 680 E C -0.778 175.971 176.600 0.248 0.000 1.031 680 E CA -0.594 55.932 56.400 0.209 0.000 0.911 680 E CB 0.431 30.264 29.700 0.221 0.000 0.986 680 E HN 0.442 nan 8.360 nan 0.000 0.446 681 Q N 4.686 124.576 119.800 0.151 0.000 2.313 681 Q HA 0.202 4.540 4.340 -0.002 0.000 0.266 681 Q C -2.122 173.949 176.000 0.119 0.000 0.989 681 Q CA -1.884 54.002 55.803 0.138 0.000 0.890 681 Q CB 0.555 29.343 28.738 0.083 0.000 1.200 681 Q HN 0.462 nan 8.270 nan 0.000 0.396 682 P HA -0.035 nan 4.420 nan 0.000 0.265 682 P C 0.547 177.876 177.300 0.049 0.000 1.193 682 P CA 0.087 63.254 63.100 0.111 0.000 0.765 682 P CB 0.745 32.528 31.700 0.137 0.000 0.823 683 E N 1.461 121.626 120.200 -0.059 0.000 2.230 683 E HA -0.083 4.266 4.350 -0.002 0.000 0.192 683 E C -0.097 176.327 176.600 -0.294 0.000 0.987 683 E CA 0.707 56.972 56.400 -0.225 0.000 0.841 683 E CB 0.187 29.658 29.700 -0.382 0.000 0.783 683 E HN 0.623 nan 8.360 nan 0.000 0.481 684 H N 0.452 119.483 119.070 -0.064 0.000 2.517 684 H HA 0.108 4.663 4.556 -0.002 0.000 0.346 684 H C 0.032 175.403 175.328 0.072 0.000 1.222 684 H CA -0.683 55.271 56.048 -0.156 0.000 1.314 684 H CB 0.893 30.275 29.762 -0.634 0.000 1.609 684 H HN 0.066 nan 8.280 nan 0.000 0.571 685 D N 0.236 120.760 120.400 0.207 0.000 2.506 685 D HA -0.024 4.615 4.640 -0.002 0.000 0.272 685 D C 1.141 177.608 176.300 0.278 0.000 1.214 685 D CA -0.724 53.392 54.000 0.193 0.000 1.067 685 D CB 0.631 41.493 40.800 0.103 0.000 1.117 685 D HN 0.365 nan 8.370 nan 0.000 0.578 686 L N -0.273 121.062 121.223 0.188 0.000 2.046 686 L HA -0.118 4.221 4.340 -0.002 0.000 0.208 686 L C 2.044 178.933 176.870 0.033 0.000 1.077 686 L CA 2.027 56.961 54.840 0.156 0.000 0.747 686 L CB -1.140 40.966 42.059 0.078 0.000 0.896 686 L HN 0.607 nan 8.230 nan 0.000 0.432 687 E N -1.072 119.122 120.200 -0.009 0.000 2.085 687 E HA -0.336 4.013 4.350 -0.002 0.000 0.194 687 E C 2.197 178.743 176.600 -0.090 0.000 0.994 687 E CA 1.842 58.189 56.400 -0.088 0.000 0.801 687 E CB -0.758 28.910 29.700 -0.054 0.000 0.743 687 E HN 0.639 nan 8.360 nan 0.000 0.453 688 Y N -0.487 119.709 120.300 -0.173 0.000 2.165 688 Y HA -0.282 4.267 4.550 -0.002 0.000 0.286 688 Y C 1.684 177.328 175.900 -0.427 0.000 1.155 688 Y CA 2.140 60.040 58.100 -0.332 0.000 1.164 688 Y CB -0.378 37.813 38.460 -0.449 0.000 0.978 688 Y HN 0.139 nan 8.280 nan 0.000 0.513 689 Y N 0.067 120.367 120.300 -0.001 0.000 2.373 689 Y HA -0.105 4.444 4.550 -0.002 0.000 0.293 689 Y C 2.311 178.121 175.900 -0.149 0.000 1.129 689 Y CA 1.268 59.338 58.100 -0.050 0.000 1.226 689 Y CB -0.196 38.325 38.460 0.102 0.000 1.000 689 Y HN 0.008 nan 8.280 nan 0.000 0.549 690 K N -0.336 119.905 120.400 -0.266 0.000 2.057 690 K HA -0.200 4.119 4.320 -0.002 0.000 0.206 690 K C 2.194 178.656 176.600 -0.229 0.000 1.050 690 K CA 1.348 57.362 56.287 -0.455 0.000 0.935 690 K CB -0.203 31.888 32.500 -0.683 0.000 0.715 690 K HN 0.261 nan 8.250 nan 0.000 0.439 691 M N 1.332 120.771 119.600 -0.268 0.000 2.086 691 M HA -0.154 4.325 4.480 -0.002 0.000 0.261 691 M C 1.878 178.021 176.300 -0.262 0.000 1.067 691 M CA 1.653 56.796 55.300 -0.262 0.000 1.116 691 M CB -0.452 31.951 32.600 -0.328 0.000 1.348 691 M HN 0.154 nan 8.290 nan 0.000 0.407 692 L N 0.316 121.318 121.223 -0.368 0.000 2.079 692 L HA -0.192 4.147 4.340 -0.002 0.000 0.210 692 L C 2.696 179.519 176.870 -0.078 0.000 1.081 692 L CA 1.258 55.941 54.840 -0.260 0.000 0.752 692 L CB -1.080 40.802 42.059 -0.294 0.000 0.896 692 L HN 0.385 nan 8.230 nan 0.000 0.433 693 A N 0.056 122.876 122.820 -0.001 0.000 1.933 693 A HA -0.190 4.129 4.320 -0.002 0.000 0.218 693 A C 2.359 179.970 177.584 0.046 0.000 1.175 693 A CA 1.353 53.432 52.037 0.070 0.000 0.628 693 A CB -0.406 18.763 19.000 0.280 0.000 0.814 693 A HN 0.346 nan 8.150 nan 0.000 0.444 694 R N -0.903 119.604 120.500 0.012 0.000 2.193 694 R HA -0.043 4.296 4.340 -0.002 0.000 0.213 694 R C 1.764 178.064 176.300 0.000 0.000 1.055 694 R CA 1.597 57.702 56.100 0.008 0.000 0.995 694 R CB -0.168 30.121 30.300 -0.019 0.000 0.893 694 R HN 0.730 nan 8.270 nan 0.000 0.459 695 T N -3.978 110.563 114.554 -0.022 0.000 2.975 695 T HA 0.105 4.454 4.350 -0.002 0.000 0.257 695 T C 0.718 175.437 174.700 0.032 0.000 1.003 695 T CA -0.253 61.842 62.100 -0.008 0.000 0.932 695 T CB 0.477 69.315 68.868 -0.051 0.000 1.087 695 T HN -0.181 nan 8.240 nan 0.000 0.512 696 T N 3.475 118.053 114.554 0.040 0.000 2.779 696 T HA 0.236 4.585 4.350 -0.002 0.000 0.296 696 T C -0.542 174.244 174.700 0.143 0.000 0.938 696 T CA -0.370 61.789 62.100 0.098 0.000 1.119 696 T CB -0.156 68.771 68.868 0.098 0.000 0.891 696 T HN 0.357 nan 8.240 nan 0.000 0.526 697 Y N 4.586 124.917 120.300 0.050 0.000 2.881 697 Y HA 0.082 4.632 4.550 -0.001 0.000 0.335 697 Y C -0.059 175.838 175.900 -0.005 0.000 1.263 697 Y CA -0.077 58.041 58.100 0.031 0.000 1.572 697 Y CB 0.166 38.639 38.460 0.022 0.000 1.237 697 Y HN 0.363 nan 8.280 nan 0.000 0.568 698 V N 10.183 129.690 119.914 -0.678 0.000 2.353 698 V HA 0.203 4.322 4.120 -0.002 0.000 0.264 698 V C -1.988 173.571 176.094 -0.891 0.000 1.049 698 V CA -1.657 60.283 62.300 -0.600 0.000 0.896 698 V CB 0.815 32.523 31.823 -0.192 0.000 1.025 698 V HN 0.698 nan 8.190 nan 0.000 0.475 699 P HA 0.281 nan 4.420 nan 0.000 0.231 699 P C -0.351 177.042 177.300 0.154 0.000 1.811 699 P CA 0.202 63.179 63.100 -0.205 0.000 1.051 699 P CB 0.173 31.863 31.700 -0.016 0.000 1.951 700 E N 2.518 122.772 120.200 0.090 0.000 2.311 700 E HA 0.247 4.596 4.350 -0.002 0.000 0.281 700 E C -2.327 174.336 176.600 0.105 0.000 0.905 700 E CA -2.118 54.364 56.400 0.137 0.000 0.778 700 E CB 2.067 31.823 29.700 0.095 0.000 1.240 700 E HN -0.101 nan 8.360 nan 0.000 0.410 701 P HA -0.109 nan 4.420 nan 0.000 0.215 701 P C 0.862 178.227 177.300 0.108 0.000 1.153 701 P CA 0.797 63.959 63.100 0.104 0.000 0.853 701 P CB -0.007 31.752 31.700 0.098 0.000 0.788 702 W N 0.125 121.404 121.300 -0.035 0.000 2.354 702 W HA -0.116 4.542 4.660 -0.003 0.000 0.315 702 W C 1.245 177.753 176.519 -0.018 0.000 1.206 702 W CA 1.426 58.750 57.345 -0.035 0.000 1.290 702 W CB -0.953 28.469 29.460 -0.064 0.000 1.152 702 W HN -0.063 nan 8.180 nan 0.000 0.489 703 H N 1.330 120.255 119.070 -0.243 0.000 2.764 703 H HA 0.040 4.595 4.556 -0.002 0.000 0.341 703 H C -1.555 173.533 175.328 -0.400 0.000 1.072 703 H CA -0.727 54.958 56.048 -0.604 0.000 1.444 703 H CB 1.338 30.978 29.762 -0.203 0.000 1.458 703 H HN -0.101 nan 8.280 nan 0.000 0.572 704 P HA -0.166 nan 4.420 nan 0.000 0.218 704 P C 1.129 178.365 177.300 -0.107 0.000 1.146 704 P CA 1.833 64.690 63.100 -0.404 0.000 0.813 704 P CB 0.041 31.451 31.700 -0.482 0.000 0.778 705 A N 0.168 123.067 122.820 0.131 0.000 1.978 705 A HA -0.220 4.099 4.320 -0.002 0.000 0.220 705 A C 2.287 179.892 177.584 0.035 0.000 1.170 705 A CA 2.226 54.340 52.037 0.128 0.000 0.636 705 A CB -1.585 17.518 19.000 0.173 0.000 0.810 705 A HN 0.377 nan 8.150 nan 0.000 0.448 706 S N -0.975 114.727 115.700 0.003 0.000 2.474 706 S HA -0.036 4.432 4.470 -0.002 0.000 0.235 706 S C 1.563 176.204 174.600 0.069 0.000 0.997 706 S CA 1.326 59.497 58.200 -0.047 0.000 0.949 706 S CB -0.301 62.862 63.200 -0.063 0.000 0.766 706 S HN 0.385 nan 8.310 nan 0.000 0.517 707 S N 1.084 116.803 115.700 0.031 0.000 2.556 707 S HA 0.288 4.757 4.470 -0.002 0.000 0.216 707 S C 0.658 175.277 174.600 0.032 0.000 0.970 707 S CA -0.203 58.018 58.200 0.035 0.000 0.912 707 S CB 0.078 63.272 63.200 -0.010 0.000 0.790 707 S HN 0.571 nan 8.310 nan 0.000 0.504 708 S N 1.725 117.446 115.700 0.035 0.000 2.525 708 S HA 0.153 4.622 4.470 -0.002 0.000 0.285 708 S C 0.810 175.435 174.600 0.042 0.000 1.283 708 S CA -0.265 57.954 58.200 0.032 0.000 1.072 708 S CB 0.278 63.499 63.200 0.036 0.000 0.867 708 S HN 0.367 nan 8.310 nan 0.000 0.492 709 R N 3.154 123.671 120.500 0.028 0.000 2.466 709 R HA 0.191 4.530 4.340 -0.002 0.000 0.279 709 R C -0.300 176.010 176.300 0.018 0.000 0.976 709 R CA -0.242 55.873 56.100 0.026 0.000 1.081 709 R CB 0.254 30.564 30.300 0.017 0.000 1.215 709 R HN 0.426 nan 8.270 nan 0.000 0.546 710 V N 1.857 121.781 119.914 0.018 0.000 2.599 710 V HA -0.041 4.078 4.120 -0.002 0.000 0.300 710 V C 1.048 177.144 176.094 0.002 0.000 1.034 710 V CA 0.815 63.120 62.300 0.008 0.000 1.115 710 V CB 0.939 32.767 31.823 0.009 0.000 0.934 710 V HN 0.389 nan 8.190 nan 0.000 0.485 711 L N 4.793 126.011 121.223 -0.008 0.000 3.184 711 L HA 0.387 4.726 4.340 -0.002 0.000 0.283 711 L C 0.629 177.479 176.870 -0.033 0.000 1.218 711 L CA 0.258 55.087 54.840 -0.017 0.000 1.028 711 L CB 0.129 42.182 42.059 -0.010 0.000 1.400 711 L HN 0.581 nan 8.230 nan 0.000 0.591 712 K N 0.000 120.377 120.400 -0.039 0.000 2.780 712 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 712 K CA 0.000 56.255 56.287 -0.053 0.000 0.838 712 K CB 0.000 32.477 32.500 -0.039 0.000 1.064 712 K HN 0.000 nan 8.250 nan 0.000 0.543