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 1gql_1_A DATA FIRST_RESID 5 DATA SEQUENCE EDGYDMWLRY QPIADQTLLK TYQKQIRHLH VAGDSPTINA AAAELQRGLS DATA SEQUENCE GLLNKPIVAR DEKLKDYSLV IGTPDNSPLI ASLNLGERLQ ALGAEGYLLE DATA SEQUENCE QTRINKRHVV IVAANSDVGV LYGSFHLLRL IQTQHALEKL SLSSAPRLQH DATA SEQUENCE RVVNHWDNLN RVVERGYAGL SLWDWGSLPN YLAPRYTDYA RINASLGING DATA SEQUENCE TVINNVNADP RVLSDQFLQK IAALADAFRP YGIKMYLSIN FNSPRAFGDV DATA SEQUENCE DTADPLDPRV QQWWKTRAQK IYSYIPDFGG FLVKADSEGQ PGPQGYGRDH DATA SEQUENCE AEGANMLAAA LKPFGGVVFW RAFVYHPDIE DRFRGAYDEF MPLDGKFADN DATA SEQUENCE VILQIKNGPI DFQPREPFSA LFAGMSRTNM MMEFQITQEY FGFATHLAYQ DATA SEQUENCE GPLFEESLKT ETHARGEGST IGNILEGKVF KTRHTGMAGV INPGTDRNWT DATA SEQUENCE GHPFVQSSWY AFGRMAWDHQ ISAATAADEW LRMTFSNQPA FIEPVKQMML DATA SEQUENCE VSREAGVNYR SPLGLTHLYS QGDHYGPAPW TDDLPRADWT AVYYHRASKT DATA SEQUENCE GIGFNRTKTG SNALAQYPEP IAKAWGDLNS VPEDLILWFH HLSWDHRMQS DATA SEQUENCE GRNLWQELVH KYYQGVEQVR AMQRTWDQQE AYVDAARFAQ VKALLQVQER DATA SEQUENCE EAVRWRNSCV LYFQSVAGRP IPANYEQPEH DLEYYKMLAR TTYVPEPWHP DATA SEQUENCE A 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 0.000 176.633 176.600 0.055 0.000 1.382 5 E CA 0.000 56.418 56.400 0.030 0.000 0.976 5 E CB 0.000 29.715 29.700 0.024 0.000 0.812 6 D N 0.769 121.202 120.400 0.054 0.000 2.395 6 D HA 0.189 2.781 4.640 -3.413 0.000 0.213 6 D C 1.239 177.596 176.300 0.096 0.000 1.110 6 D CA 0.318 54.362 54.000 0.074 0.000 0.835 6 D CB 0.560 41.396 40.800 0.060 0.000 0.965 6 D HN 0.701 nan 8.370 nan 0.000 0.505 7 G N 0.321 109.161 108.800 0.066 0.000 2.184 7 G HA2 -0.466 1.446 3.960 -3.413 0.000 0.264 7 G HA3 -0.466 1.446 3.960 -3.413 0.000 0.264 7 G C 0.714 175.693 174.900 0.132 0.000 0.975 7 G CA 0.488 45.622 45.100 0.056 0.000 0.642 7 G HN 0.404 nan 8.290 nan 0.000 0.536 8 Y N 1.527 121.867 120.300 0.065 0.000 2.274 8 Y HA 0.004 2.510 4.550 -3.407 0.000 0.290 8 Y C 2.179 178.186 175.900 0.178 0.000 1.145 8 Y CA 2.171 60.379 58.100 0.179 0.000 1.203 8 Y CB 0.152 38.649 38.460 0.061 0.000 0.984 8 Y HN 0.305 nan 8.280 nan 0.000 0.533 9 D N -0.057 120.327 120.400 -0.026 0.000 2.347 9 D HA -0.101 2.492 4.640 -3.413 0.000 0.215 9 D C 1.446 177.437 176.300 -0.514 0.000 0.976 9 D CA 0.965 54.810 54.000 -0.259 0.000 0.884 9 D CB 0.032 40.709 40.800 -0.205 0.000 0.915 9 D HN 0.388 nan 8.370 nan 0.000 0.526 10 M N -0.855 118.471 119.600 -0.456 0.000 7.319 10 M HA -0.298 2.134 4.480 -3.413 0.000 0.305 10 M C 1.041 177.021 176.300 -0.533 0.000 0.480 10 M CA 1.959 56.899 55.300 -0.601 0.000 1.311 10 M CB -1.886 30.003 32.600 -1.185 0.000 0.421 10 M HN 0.366 nan 8.290 nan 0.000 0.673 11 W N 1.535 122.591 121.300 -0.406 0.000 3.290 11 W HA 0.595 3.202 4.660 -3.422 0.000 0.287 11 W C 0.587 176.869 176.519 -0.395 0.000 1.288 11 W CA -0.202 56.880 57.345 -0.437 0.000 1.725 11 W CB -0.508 28.719 29.460 -0.388 0.000 1.103 11 W HN 0.283 nan 8.180 nan 0.000 0.670 12 L N 2.780 123.676 121.223 -0.544 0.000 2.783 12 L HA 0.403 2.696 4.340 -3.413 0.000 0.235 12 L C 0.217 176.556 176.870 -0.884 0.000 1.260 12 L CA -0.307 54.132 54.840 -0.669 0.000 1.184 12 L CB -0.240 41.463 42.059 -0.592 0.000 1.472 12 L HN -0.114 nan 8.230 nan 0.000 0.426 13 R N 0.773 120.921 120.500 -0.587 0.000 2.230 13 R HA 0.238 2.530 4.340 -3.413 0.000 0.337 13 R C -1.080 175.075 176.300 -0.241 0.000 1.063 13 R CA -0.507 55.361 56.100 -0.387 0.000 0.935 13 R CB 0.505 30.649 30.300 -0.259 0.000 1.121 13 R HN 0.165 nan 8.270 nan 0.000 0.486 14 Y N 2.353 122.631 120.300 -0.036 0.000 2.817 14 Y HA 0.181 2.684 4.550 -3.412 0.000 0.339 14 Y C 0.368 176.254 175.900 -0.024 0.000 1.281 14 Y CA -0.607 57.477 58.100 -0.027 0.000 1.564 14 Y CB 0.124 38.573 38.460 -0.018 0.000 1.628 14 Y HN 0.308 nan 8.280 nan 0.000 0.489 15 Q N 2.321 122.181 119.800 0.100 0.000 2.257 15 Q HA 0.419 2.712 4.340 -3.413 0.000 0.262 15 Q C -2.505 173.524 176.000 0.049 0.000 0.997 15 Q CA -2.409 53.425 55.803 0.051 0.000 0.873 15 Q CB 1.370 30.114 28.738 0.010 0.000 1.312 15 Q HN 0.213 nan 8.270 nan 0.000 0.450 16 P HA -0.073 nan 4.420 nan 0.000 0.262 16 P C -0.571 176.755 177.300 0.044 0.000 1.182 16 P CA 0.172 63.294 63.100 0.036 0.000 0.761 16 P CB 0.306 32.020 31.700 0.024 0.000 0.795 17 I N 2.799 123.410 120.570 0.068 0.000 2.828 17 I HA -0.112 2.010 4.170 -3.413 0.000 0.292 17 I C 1.650 177.801 176.117 0.057 0.000 1.206 17 I CA 0.596 61.951 61.300 0.092 0.000 1.420 17 I CB -0.393 37.719 38.000 0.187 0.000 1.368 17 I HN 0.481 nan 8.210 nan 0.000 0.556 18 A N 5.822 128.666 122.820 0.040 0.000 1.968 18 A HA -0.102 2.170 4.320 -3.413 0.000 0.217 18 A C 1.085 178.676 177.584 0.013 0.000 1.169 18 A CA 0.550 52.599 52.037 0.020 0.000 0.638 18 A CB -0.206 18.802 19.000 0.012 0.000 0.812 18 A HN 0.745 nan 8.150 nan 0.000 0.446 19 D N 0.284 120.693 120.400 0.015 0.000 2.344 19 D HA 0.094 2.686 4.640 -3.413 0.000 0.253 19 D C 0.696 176.987 176.300 -0.016 0.000 1.255 19 D CA -0.095 53.901 54.000 -0.006 0.000 0.894 19 D CB 0.664 41.454 40.800 -0.017 0.000 1.067 19 D HN 0.202 nan 8.370 nan 0.000 0.492 20 Q N 2.243 122.032 119.800 -0.019 0.000 2.124 20 Q HA -0.094 2.198 4.340 -3.413 0.000 0.202 20 Q C 1.742 177.714 176.000 -0.045 0.000 0.977 20 Q CA 1.157 56.945 55.803 -0.024 0.000 0.850 20 Q CB -0.349 28.377 28.738 -0.021 0.000 0.901 20 Q HN 0.518 nan 8.270 nan 0.000 0.429 21 T N 1.799 116.319 114.554 -0.057 0.000 2.737 21 T HA -0.111 2.191 4.350 -3.413 0.000 0.265 21 T C 1.892 176.517 174.700 -0.124 0.000 1.038 21 T CA 0.922 62.975 62.100 -0.077 0.000 1.144 21 T CB -0.268 68.558 68.868 -0.069 0.000 0.866 21 T HN 0.109 nan 8.240 nan 0.000 0.434 22 L N 1.189 122.322 121.223 -0.149 0.000 2.046 22 L HA 0.051 2.343 4.340 -3.413 0.000 0.208 22 L C 2.176 178.851 176.870 -0.325 0.000 1.077 22 L CA 1.368 56.037 54.840 -0.285 0.000 0.747 22 L CB -0.830 41.078 42.059 -0.251 0.000 0.896 22 L HN 0.172 nan 8.230 nan 0.000 0.432 23 L N -0.264 120.894 121.223 -0.108 0.000 2.013 23 L HA -0.243 2.049 4.340 -3.413 0.000 0.212 23 L C 2.393 179.255 176.870 -0.013 0.000 1.073 23 L CA 1.889 56.743 54.840 0.024 0.000 0.753 23 L CB -0.893 41.191 42.059 0.041 0.000 0.890 23 L HN 0.202 nan 8.230 nan 0.000 0.432 24 K N -0.846 119.516 120.400 -0.063 0.000 2.097 24 K HA -0.085 2.187 4.320 -3.413 0.000 0.206 24 K C 2.023 178.566 176.600 -0.094 0.000 1.049 24 K CA 1.750 57.996 56.287 -0.068 0.000 0.933 24 K CB -1.037 31.421 32.500 -0.071 0.000 0.717 24 K HN 0.439 nan 8.250 nan 0.000 0.442 25 T N 0.994 115.456 114.554 -0.154 0.000 2.708 25 T HA -0.123 2.179 4.350 -3.413 0.000 0.266 25 T C 1.740 176.385 174.700 -0.091 0.000 1.037 25 T CA 1.211 63.209 62.100 -0.169 0.000 1.146 25 T CB -0.328 68.392 68.868 -0.248 0.000 0.865 25 T HN 0.093 nan 8.240 nan 0.000 0.435 26 Y N 1.962 122.239 120.300 -0.039 0.000 2.181 26 Y HA -0.096 2.407 4.550 -3.412 0.000 0.288 26 Y C 2.686 178.553 175.900 -0.055 0.000 1.146 26 Y CA 0.450 58.530 58.100 -0.033 0.000 1.164 26 Y CB -0.907 37.540 38.460 -0.021 0.000 0.982 26 Y HN 0.328 nan 8.280 nan 0.000 0.515 27 Q N -0.050 119.803 119.800 0.090 0.000 2.170 27 Q HA -0.216 2.076 4.340 -3.413 0.000 0.203 27 Q C 2.260 178.214 176.000 -0.076 0.000 0.976 27 Q CA 1.628 57.429 55.803 -0.004 0.000 0.858 27 Q CB -0.144 28.581 28.738 -0.021 0.000 0.907 27 Q HN 0.450 nan 8.270 nan 0.000 0.433 28 K N 0.749 121.080 120.400 -0.115 0.000 2.116 28 K HA -0.156 2.116 4.320 -3.413 0.000 0.203 28 K C 1.874 178.291 176.600 -0.305 0.000 1.052 28 K CA 1.096 57.230 56.287 -0.256 0.000 0.952 28 K CB 0.190 32.529 32.500 -0.269 0.000 0.729 28 K HN 0.163 nan 8.250 nan 0.000 0.446 29 Q N -0.105 119.643 119.800 -0.087 0.000 2.083 29 Q HA 0.019 2.311 4.340 -3.413 0.000 0.198 29 Q C 0.077 176.167 176.000 0.151 0.000 0.969 29 Q CA 0.665 56.517 55.803 0.082 0.000 0.838 29 Q CB 0.411 29.230 28.738 0.135 0.000 0.900 29 Q HN 0.240 nan 8.270 nan 0.000 0.436 30 I N 0.967 121.580 120.570 0.071 0.000 2.460 30 I HA 0.221 2.344 4.170 -3.413 0.000 0.277 30 I C 0.378 176.473 176.117 -0.036 0.000 1.057 30 I CA 0.168 61.495 61.300 0.046 0.000 1.179 30 I CB 0.983 38.992 38.000 0.016 0.000 1.329 30 I HN 0.164 nan 8.210 nan 0.000 0.478 31 R N 2.539 122.993 120.500 -0.077 0.000 2.254 31 R HA 0.203 2.496 4.340 -3.413 0.000 0.193 31 R C -0.261 175.614 176.300 -0.708 0.000 0.929 31 R CA 0.332 56.220 56.100 -0.352 0.000 1.038 31 R CB 0.481 30.558 30.300 -0.371 0.000 1.009 31 R HN 0.574 nan 8.270 nan 0.000 0.512 32 H N -1.271 117.838 119.070 0.066 0.000 2.985 32 H HA 0.395 2.903 4.556 -3.413 0.000 0.360 32 H C -1.756 173.602 175.328 0.050 0.000 1.221 32 H CA -0.940 55.141 56.048 0.054 0.000 1.121 32 H CB 2.046 31.852 29.762 0.073 0.000 1.854 32 H HN -0.176 nan 8.280 nan 0.000 0.551 33 L N 2.032 123.353 121.223 0.165 0.000 2.372 33 L HA 0.306 2.598 4.340 -3.413 0.000 0.273 33 L C -1.361 175.569 176.870 0.099 0.000 0.989 33 L CA -0.294 54.601 54.840 0.092 0.000 0.841 33 L CB 0.752 42.822 42.059 0.017 0.000 1.225 33 L HN 0.723 nan 8.230 nan 0.000 0.414 34 H N 5.339 124.426 119.070 0.028 0.000 2.541 34 H HA 0.624 3.132 4.556 -3.413 0.000 0.316 34 H C -1.677 173.648 175.328 -0.005 0.000 1.043 34 H CA -0.366 55.689 56.048 0.012 0.000 1.232 34 H CB 1.480 31.249 29.762 0.011 0.000 1.406 34 H HN 0.450 nan 8.280 nan 0.000 0.469 35 V N 5.534 125.272 119.914 -0.292 0.000 2.488 35 V HA 0.254 2.326 4.120 -3.413 0.000 0.293 35 V C 0.853 176.814 176.094 -0.222 0.000 1.027 35 V CA -0.137 62.075 62.300 -0.147 0.000 0.862 35 V CB 0.940 32.704 31.823 -0.099 0.000 1.008 35 V HN 0.906 nan 8.190 nan 0.000 0.428 36 A N 3.602 126.361 122.820 -0.101 0.000 1.935 36 A HA 0.409 2.681 4.320 -3.413 0.000 0.214 36 A C 1.469 179.031 177.584 -0.036 0.000 1.178 36 A CA 0.973 52.977 52.037 -0.055 0.000 0.640 36 A CB -0.314 18.726 19.000 0.066 0.000 0.825 36 A HN 0.979 nan 8.150 nan 0.000 0.447 37 G N -0.022 108.764 108.800 -0.023 0.000 2.636 37 G HA2 0.366 2.278 3.960 -3.413 0.000 0.246 37 G HA3 0.366 2.278 3.960 -3.413 0.000 0.246 37 G C -0.050 174.830 174.900 -0.033 0.000 1.216 37 G CA 0.494 45.581 45.100 -0.021 0.000 0.854 37 G HN 0.415 nan 8.290 nan 0.000 0.572 38 D N -1.949 118.435 120.400 -0.026 0.000 2.615 38 D HA 0.038 2.630 4.640 -3.413 0.000 0.274 38 D C 0.938 177.225 176.300 -0.023 0.000 1.512 38 D CA 0.065 54.049 54.000 -0.028 0.000 0.803 38 D CB -0.582 40.204 40.800 -0.024 0.000 1.182 38 D HN 0.456 nan 8.370 nan 0.000 0.473 39 S N 0.030 115.717 115.700 -0.023 0.000 2.576 39 S HA 0.240 2.662 4.470 -3.413 0.000 0.272 39 S C -1.432 173.147 174.600 -0.035 0.000 1.352 39 S CA -0.545 57.642 58.200 -0.021 0.000 1.021 39 S CB 1.346 64.535 63.200 -0.018 0.000 0.887 39 S HN -0.202 nan 8.310 nan 0.000 0.542 40 P HA -0.077 nan 4.420 nan 0.000 0.216 40 P C 1.441 178.680 177.300 -0.102 0.000 1.150 40 P CA 1.506 64.578 63.100 -0.048 0.000 0.843 40 P CB -0.243 31.442 31.700 -0.024 0.000 0.787 41 T N -0.683 113.813 114.554 -0.096 0.000 2.812 41 T HA -0.065 2.238 4.350 -3.413 0.000 0.264 41 T C 1.706 176.326 174.700 -0.134 0.000 1.042 41 T CA 0.854 62.870 62.100 -0.139 0.000 1.140 41 T CB -0.626 68.185 68.868 -0.095 0.000 0.870 41 T HN -0.034 nan 8.240 nan 0.000 0.445 42 I N 2.269 122.785 120.570 -0.090 0.000 2.226 42 I HA -0.120 2.002 4.170 -3.413 0.000 0.245 42 I C 2.132 178.195 176.117 -0.090 0.000 1.100 42 I CA 1.198 62.450 61.300 -0.081 0.000 1.374 42 I CB -1.188 36.781 38.000 -0.053 0.000 1.057 42 I HN 0.221 nan 8.210 nan 0.000 0.413 43 N N 1.448 120.098 118.700 -0.083 0.000 2.149 43 N HA -0.133 2.559 4.740 -3.413 0.000 0.188 43 N C 1.920 177.375 175.510 -0.090 0.000 1.019 43 N CA 1.646 54.652 53.050 -0.072 0.000 0.857 43 N CB -0.297 38.160 38.487 -0.051 0.000 0.997 43 N HN 0.371 nan 8.380 nan 0.000 0.426 44 A N 0.684 123.410 122.820 -0.156 0.000 1.930 44 A HA 0.089 2.362 4.320 -3.413 0.000 0.217 44 A C 2.339 179.839 177.584 -0.140 0.000 1.175 44 A CA 1.760 53.671 52.037 -0.210 0.000 0.627 44 A CB -0.740 17.878 19.000 -0.637 0.000 0.815 44 A HN 0.310 nan 8.150 nan 0.000 0.443 45 A N -0.054 122.669 122.820 -0.161 0.000 1.873 45 A HA 0.192 2.464 4.320 -3.413 0.000 0.215 45 A C 2.510 179.997 177.584 -0.161 0.000 1.186 45 A CA 1.990 53.918 52.037 -0.182 0.000 0.616 45 A CB -1.034 17.873 19.000 -0.155 0.000 0.823 45 A HN 1.025 nan 8.150 nan 0.000 0.442 46 A N -0.124 122.627 122.820 -0.115 0.000 1.902 46 A HA 0.145 2.417 4.320 -3.413 0.000 0.217 46 A C 2.485 180.017 177.584 -0.086 0.000 1.181 46 A CA 2.133 54.112 52.037 -0.095 0.000 0.623 46 A CB -0.969 17.986 19.000 -0.075 0.000 0.818 46 A HN 1.053 nan 8.150 nan 0.000 0.443 47 A N -0.600 122.183 122.820 -0.062 0.000 1.930 47 A HA -0.095 2.177 4.320 -3.413 0.000 0.217 47 A C 1.959 179.519 177.584 -0.041 0.000 1.175 47 A CA 2.020 54.041 52.037 -0.026 0.000 0.627 47 A CB -0.409 18.608 19.000 0.029 0.000 0.815 47 A HN 0.522 nan 8.150 nan 0.000 0.443 48 E N 0.182 120.336 120.200 -0.078 0.000 2.047 48 E HA -0.102 2.200 4.350 -3.413 0.000 0.191 48 E C 1.860 178.307 176.600 -0.256 0.000 0.987 48 E CA 1.191 57.507 56.400 -0.141 0.000 0.799 48 E CB -0.360 29.155 29.700 -0.308 0.000 0.752 48 E HN 0.582 nan 8.360 nan 0.000 0.449 49 L N 0.307 121.382 121.223 -0.246 0.000 2.083 49 L HA -0.199 2.093 4.340 -3.413 0.000 0.209 49 L C 2.781 179.527 176.870 -0.206 0.000 1.083 49 L CA 1.616 56.312 54.840 -0.240 0.000 0.752 49 L CB -0.451 41.499 42.059 -0.182 0.000 0.899 49 L HN 0.291 nan 8.230 nan 0.000 0.433 50 Q N 0.704 120.416 119.800 -0.146 0.000 2.020 50 Q HA -0.248 2.044 4.340 -3.413 0.000 0.202 50 Q C 2.390 178.315 176.000 -0.125 0.000 0.982 50 Q CA 2.089 57.827 55.803 -0.108 0.000 0.838 50 Q CB -0.041 28.659 28.738 -0.064 0.000 0.899 50 Q HN 0.496 nan 8.270 nan 0.000 0.423 51 R N -0.881 119.542 120.500 -0.128 0.000 2.092 51 R HA -0.022 2.270 4.340 -3.413 0.000 0.231 51 R C 2.168 178.292 176.300 -0.294 0.000 1.119 51 R CA 1.417 57.451 56.100 -0.111 0.000 0.970 51 R CB -0.838 29.465 30.300 0.005 0.000 0.864 51 R HN 0.281 nan 8.270 nan 0.000 0.440 52 G N 2.055 110.470 108.800 -0.642 0.000 2.414 52 G HA2 -0.149 1.763 3.960 -3.413 0.000 0.215 52 G HA3 -0.149 1.763 3.960 -3.413 0.000 0.215 52 G C 1.611 176.183 174.900 -0.546 0.000 1.188 52 G CA 0.641 45.007 45.100 -1.222 0.000 0.783 52 G HN 0.168 nan 8.290 nan 0.000 0.537 53 L N 0.888 121.899 121.223 -0.353 0.000 2.083 53 L HA -0.081 2.212 4.340 -3.413 0.000 0.209 53 L C 3.191 179.976 176.870 -0.143 0.000 1.083 53 L CA 1.174 55.888 54.840 -0.211 0.000 0.752 53 L CB -0.403 41.557 42.059 -0.165 0.000 0.899 53 L HN 0.164 nan 8.230 nan 0.000 0.433 54 S N 0.091 115.714 115.700 -0.129 0.000 2.368 54 S HA -0.125 2.297 4.470 -3.413 0.000 0.225 54 S C 2.015 176.588 174.600 -0.045 0.000 1.030 54 S CA 1.289 59.446 58.200 -0.072 0.000 0.999 54 S CB -0.568 62.600 63.200 -0.053 0.000 0.844 54 S HN 0.615 nan 8.310 nan 0.000 0.459 55 G N 1.480 110.255 108.800 -0.043 0.000 2.394 55 G HA2 -0.056 1.856 3.960 -3.413 0.000 0.214 55 G HA3 -0.056 1.856 3.960 -3.413 0.000 0.214 55 G C 1.339 176.254 174.900 0.025 0.000 1.176 55 G CA 0.396 45.511 45.100 0.024 0.000 0.786 55 G HN 0.422 nan 8.290 nan 0.000 0.533 56 L N -0.432 120.791 121.223 -0.001 0.000 2.093 56 L HA 0.032 2.324 4.340 -3.413 0.000 0.208 56 L C 2.324 179.196 176.870 0.004 0.000 1.085 56 L CA 0.399 55.242 54.840 0.005 0.000 0.755 56 L CB -0.182 41.847 42.059 -0.049 0.000 0.904 56 L HN 0.121 nan 8.230 nan 0.000 0.435 57 L N -0.893 120.318 121.223 -0.020 0.000 2.567 57 L HA 0.099 2.391 4.340 -3.413 0.000 0.225 57 L C 0.734 177.604 176.870 0.001 0.000 1.119 57 L CA 0.251 55.092 54.840 0.002 0.000 0.871 57 L CB -0.813 41.234 42.059 -0.020 0.000 1.036 57 L HN 0.275 nan 8.230 nan 0.000 0.459 58 N N 1.202 119.901 118.700 -0.002 0.000 2.740 58 N HA -0.247 2.446 4.740 -3.413 0.000 0.248 58 N C -0.461 175.044 175.510 -0.009 0.000 1.062 58 N CA 1.073 54.122 53.050 -0.000 0.000 0.704 58 N CB -0.628 37.863 38.487 0.006 0.000 0.968 58 N HN 0.627 nan 8.380 nan 0.000 0.547 59 K N -2.556 117.833 120.400 -0.018 0.000 2.587 59 K HA 0.550 2.822 4.320 -3.413 0.000 0.276 59 K C -3.392 173.191 176.600 -0.028 0.000 0.956 59 K CA -1.794 54.480 56.287 -0.022 0.000 0.857 59 K CB 1.373 33.855 32.500 -0.030 0.000 1.431 59 K HN -0.170 nan 8.250 nan 0.000 0.420 60 P HA 0.206 nan 4.420 nan 0.000 0.276 60 P C -0.662 176.621 177.300 -0.028 0.000 1.264 60 P CA -0.245 62.842 63.100 -0.020 0.000 0.769 60 P CB 0.211 31.906 31.700 -0.008 0.000 0.840 61 I N 4.829 125.378 120.570 -0.036 0.000 2.411 61 I HA 0.246 2.368 4.170 -3.413 0.000 0.284 61 I C -0.134 175.968 176.117 -0.025 0.000 1.012 61 I CA -0.789 60.488 61.300 -0.038 0.000 1.119 61 I CB 1.653 39.616 38.000 -0.061 0.000 1.261 61 I HN 0.019 nan 8.210 nan 0.000 0.448 62 V N 5.258 125.171 119.914 -0.002 0.000 2.435 62 V HA 0.579 2.652 4.120 -3.413 0.000 0.290 62 V C 0.706 176.798 176.094 -0.003 0.000 1.030 62 V CA -0.850 61.447 62.300 -0.004 0.000 0.881 62 V CB 1.843 33.669 31.823 0.005 0.000 0.983 62 V HN 0.828 nan 8.190 nan 0.000 0.445 63 A N 6.245 129.050 122.820 -0.024 0.000 2.488 63 A HA 0.638 2.911 4.320 -3.413 0.000 0.249 63 A C 0.260 177.814 177.584 -0.050 0.000 1.083 63 A CA 0.055 52.069 52.037 -0.039 0.000 0.768 63 A CB 0.069 19.036 19.000 -0.054 0.000 1.017 63 A HN 0.864 nan 8.150 nan 0.000 0.496 64 R N 0.917 121.371 120.500 -0.078 0.000 2.740 64 R HA 0.378 2.670 4.340 -3.413 0.000 0.273 64 R C -1.754 174.397 176.300 -0.248 0.000 0.998 64 R CA -0.822 55.214 56.100 -0.107 0.000 0.900 64 R CB 1.950 32.222 30.300 -0.046 0.000 1.223 64 R HN 0.710 nan 8.270 nan 0.000 0.466 65 D N 2.545 122.813 120.400 -0.220 0.000 2.479 65 D HA 0.131 2.723 4.640 -3.413 0.000 0.247 65 D C -0.848 175.375 176.300 -0.128 0.000 1.119 65 D CA -0.229 53.591 54.000 -0.299 0.000 0.922 65 D CB 0.465 41.158 40.800 -0.178 0.000 1.014 65 D HN 0.524 nan 8.370 nan 0.000 0.510 66 E N 0.783 120.946 120.200 -0.061 0.000 2.445 66 E HA 0.367 2.669 4.350 -3.413 0.000 0.273 66 E C -0.602 176.087 176.600 0.149 0.000 0.961 66 E CA -1.243 55.182 56.400 0.043 0.000 0.807 66 E CB 1.281 30.988 29.700 0.012 0.000 1.362 66 E HN -0.033 nan 8.360 nan 0.000 0.453 67 K N 1.132 121.573 120.400 0.068 0.000 2.484 67 K HA 0.035 2.308 4.320 -3.413 0.000 0.280 67 K C -0.189 176.419 176.600 0.014 0.000 1.013 67 K CA -0.451 55.859 56.287 0.038 0.000 1.029 67 K CB 0.334 32.836 32.500 0.002 0.000 0.902 67 K HN 0.483 nan 8.250 nan 0.000 0.481 68 L N 4.866 126.059 121.223 -0.050 0.000 2.559 68 L HA -0.019 2.273 4.340 -3.413 0.000 0.274 68 L C -0.452 176.364 176.870 -0.091 0.000 1.205 68 L CA 1.191 55.958 54.840 -0.122 0.000 0.907 68 L CB 0.100 42.030 42.059 -0.215 0.000 1.153 68 L HN 0.560 nan 8.230 nan 0.000 0.490 69 K N 3.369 123.708 120.400 -0.102 0.000 2.118 69 K HA 0.249 2.521 4.320 -3.413 0.000 0.254 69 K C -0.666 175.927 176.600 -0.012 0.000 0.961 69 K CA -1.017 55.193 56.287 -0.128 0.000 0.876 69 K CB 0.932 33.169 32.500 -0.438 0.000 1.077 69 K HN 0.569 nan 8.250 nan 0.000 0.440 70 D N 0.770 121.193 120.400 0.039 0.000 2.455 70 D HA -0.049 2.544 4.640 -3.413 0.000 0.241 70 D C -0.789 175.654 176.300 0.237 0.000 1.138 70 D CA 0.840 54.874 54.000 0.058 0.000 0.877 70 D CB 0.108 40.979 40.800 0.118 0.000 1.187 70 D HN 0.418 nan 8.370 nan 0.000 0.451 71 Y N 0.328 120.736 120.300 0.180 0.000 3.128 71 Y HA -0.235 2.267 4.550 -3.413 0.000 0.187 71 Y C -0.028 175.969 175.900 0.162 0.000 1.597 71 Y CA 0.341 58.524 58.100 0.139 0.000 1.183 71 Y CB -1.828 36.672 38.460 0.067 0.000 1.454 71 Y HN 0.109 nan 8.280 nan 0.000 0.460 72 S N 0.492 116.320 115.700 0.212 0.000 2.537 72 S HA 0.741 3.163 4.470 -3.413 0.000 0.301 72 S C -0.506 174.166 174.600 0.120 0.000 1.092 72 S CA -0.895 57.419 58.200 0.191 0.000 1.048 72 S CB 2.026 65.316 63.200 0.150 0.000 1.053 72 S HN 0.305 nan 8.310 nan 0.000 0.501 73 L N 3.639 124.925 121.223 0.104 0.000 2.265 73 L HA 0.598 2.890 4.340 -3.413 0.000 0.288 73 L C -1.180 175.737 176.870 0.077 0.000 1.058 73 L CA -0.077 54.800 54.840 0.063 0.000 0.809 73 L CB 0.795 42.869 42.059 0.025 0.000 1.179 73 L HN 0.411 nan 8.230 nan 0.000 0.429 74 V N 6.973 126.921 119.914 0.058 0.000 2.409 74 V HA 0.483 2.555 4.120 -3.413 0.000 0.291 74 V C 0.019 176.146 176.094 0.056 0.000 1.020 74 V CA -0.552 61.794 62.300 0.078 0.000 0.848 74 V CB 1.416 33.247 31.823 0.015 0.000 0.990 74 V HN 0.752 nan 8.190 nan 0.000 0.430 75 I N 2.191 122.801 120.570 0.067 0.000 2.693 75 I HA 1.089 3.211 4.170 -3.413 0.000 0.303 75 I C 0.120 176.261 176.117 0.040 0.000 1.025 75 I CA -0.280 61.039 61.300 0.032 0.000 1.086 75 I CB 2.285 40.280 38.000 -0.008 0.000 1.268 75 I HN 0.795 nan 8.210 nan 0.000 0.440 76 G N 2.776 111.593 108.800 0.030 0.000 2.359 76 G HA2 0.354 2.266 3.960 -3.413 0.000 0.293 76 G HA3 0.354 2.266 3.960 -3.413 0.000 0.293 76 G C -0.927 173.995 174.900 0.035 0.000 1.300 76 G CA -0.212 44.906 45.100 0.029 0.000 0.888 76 G HN 1.011 nan 8.290 nan 0.000 0.541 77 T N -1.780 112.793 114.554 0.031 0.000 2.950 77 T HA 0.721 3.024 4.350 -3.413 0.000 0.288 77 T C -1.873 172.844 174.700 0.028 0.000 1.035 77 T CA -1.454 60.666 62.100 0.034 0.000 1.028 77 T CB 2.526 71.412 68.868 0.030 0.000 1.109 77 T HN 0.187 nan 8.240 nan 0.000 0.514 78 P HA -0.062 nan 4.420 nan 0.000 0.218 78 P C 0.937 178.247 177.300 0.018 0.000 1.148 78 P CA 0.941 64.052 63.100 0.020 0.000 0.822 78 P CB 0.031 31.742 31.700 0.018 0.000 0.784 79 D N -0.773 119.638 120.400 0.018 0.000 2.144 79 D HA -0.111 2.481 4.640 -3.413 0.000 0.200 79 D C 1.262 177.572 176.300 0.016 0.000 0.978 79 D CA 1.326 55.336 54.000 0.016 0.000 0.833 79 D CB -0.482 40.328 40.800 0.016 0.000 0.961 79 D HN 0.396 nan 8.370 nan 0.000 0.470 80 N N -1.275 117.435 118.700 0.018 0.000 2.184 80 N HA -0.016 2.676 4.740 -3.413 0.000 0.206 80 N C -0.360 175.167 175.510 0.027 0.000 1.151 80 N CA -0.192 52.868 53.050 0.017 0.000 0.878 80 N CB 0.724 39.218 38.487 0.010 0.000 1.014 80 N HN -0.162 nan 8.380 nan 0.000 0.512 81 S N 0.581 116.300 115.700 0.032 0.000 2.664 81 S HA 0.449 2.871 4.470 -3.413 0.000 0.262 81 S C -2.162 172.457 174.600 0.032 0.000 1.229 81 S CA -1.382 56.847 58.200 0.048 0.000 1.151 81 S CB 1.056 64.288 63.200 0.053 0.000 1.054 81 S HN -0.143 nan 8.310 nan 0.000 0.483 82 P HA -0.089 nan 4.420 nan 0.000 0.217 82 P C 1.399 178.696 177.300 -0.004 0.000 1.148 82 P CA 0.898 64.006 63.100 0.013 0.000 0.828 82 P CB 0.099 31.807 31.700 0.014 0.000 0.783 83 L N -1.485 119.729 121.223 -0.015 0.000 2.017 83 L HA -0.162 2.130 4.340 -3.413 0.000 0.208 83 L C 2.457 179.307 176.870 -0.032 0.000 1.073 83 L CA 1.453 56.263 54.840 -0.051 0.000 0.745 83 L CB -0.765 41.222 42.059 -0.119 0.000 0.894 83 L HN -0.070 nan 8.230 nan 0.000 0.432 84 I N -0.225 120.339 120.570 -0.011 0.000 2.252 84 I HA -0.255 1.867 4.170 -3.413 0.000 0.245 84 I C 2.800 178.918 176.117 0.001 0.000 1.102 84 I CA 1.054 62.354 61.300 -0.000 0.000 1.385 84 I CB -0.400 37.611 38.000 0.017 0.000 1.064 84 I HN 0.187 nan 8.210 nan 0.000 0.414 85 A N 0.708 123.530 122.820 0.004 0.000 1.940 85 A HA -0.275 1.997 4.320 -3.413 0.000 0.219 85 A C 2.477 180.059 177.584 -0.004 0.000 1.176 85 A CA 2.343 54.382 52.037 0.003 0.000 0.631 85 A CB -0.944 18.059 19.000 0.005 0.000 0.814 85 A HN 0.543 nan 8.150 nan 0.000 0.446 86 S N -0.175 115.519 115.700 -0.011 0.000 2.442 86 S HA -0.056 2.366 4.470 -3.413 0.000 0.236 86 S C 1.699 176.288 174.600 -0.017 0.000 1.007 86 S CA 1.329 59.519 58.200 -0.016 0.000 0.965 86 S CB -0.673 62.512 63.200 -0.025 0.000 0.773 86 S HN 0.467 nan 8.310 nan 0.000 0.504 87 L N 1.114 122.327 121.223 -0.016 0.000 2.465 87 L HA 0.081 2.373 4.340 -3.413 0.000 0.224 87 L C 0.184 177.049 176.870 -0.008 0.000 1.145 87 L CA 0.371 55.202 54.840 -0.014 0.000 0.834 87 L CB -1.213 40.839 42.059 -0.012 0.000 0.944 87 L HN 0.367 nan 8.230 nan 0.000 0.451 88 N N -0.292 118.405 118.700 -0.005 0.000 2.688 88 N HA -0.229 2.463 4.740 -3.413 0.000 0.258 88 N C 0.751 176.261 175.510 0.000 0.000 1.016 88 N CA -0.051 52.997 53.050 -0.002 0.000 0.747 88 N CB -1.130 37.355 38.487 -0.005 0.000 0.895 88 N HN 0.291 nan 8.380 nan 0.000 0.543 89 L N -0.218 121.008 121.223 0.004 0.000 2.201 89 L HA -0.051 2.241 4.340 -3.413 0.000 0.212 89 L C 2.088 178.962 176.870 0.007 0.000 1.105 89 L CA 1.110 55.954 54.840 0.007 0.000 0.775 89 L CB -0.782 41.285 42.059 0.014 0.000 0.913 89 L HN 0.721 nan 8.230 nan 0.000 0.440 90 G N 0.450 109.253 108.800 0.006 0.000 2.611 90 G HA2 -0.475 1.437 3.960 -3.413 0.000 0.301 90 G HA3 -0.475 1.437 3.960 -3.413 0.000 0.301 90 G C 0.750 175.653 174.900 0.005 0.000 1.233 90 G CA 0.731 45.833 45.100 0.005 0.000 0.993 90 G HN 0.364 nan 8.290 nan 0.000 0.553 91 E N -0.029 120.172 120.200 0.002 0.000 2.118 91 E HA -0.185 2.118 4.350 -3.413 0.000 0.195 91 E C 2.570 179.170 176.600 0.000 0.000 0.992 91 E CA 1.535 57.935 56.400 0.000 0.000 0.804 91 E CB -0.112 29.586 29.700 -0.002 0.000 0.741 91 E HN 0.481 nan 8.360 nan 0.000 0.458 92 R N -0.084 120.417 120.500 0.002 0.000 2.105 92 R HA -0.173 2.119 4.340 -3.413 0.000 0.239 92 R C 2.364 178.667 176.300 0.005 0.000 1.135 92 R CA 1.376 57.477 56.100 0.002 0.000 0.967 92 R CB -0.162 30.140 30.300 0.005 0.000 0.861 92 R HN 0.234 nan 8.270 nan 0.000 0.442 93 L N 0.516 121.746 121.223 0.012 0.000 2.102 93 L HA -0.049 2.244 4.340 -3.413 0.000 0.202 93 L C 2.412 179.292 176.870 0.017 0.000 1.076 93 L CA 1.690 56.542 54.840 0.021 0.000 0.761 93 L CB -0.559 41.517 42.059 0.028 0.000 0.921 93 L HN 0.233 nan 8.230 nan 0.000 0.444 94 Q N -0.224 119.583 119.800 0.012 0.000 2.135 94 Q HA -0.219 2.073 4.340 -3.413 0.000 0.204 94 Q C 2.001 178.002 176.000 0.001 0.000 0.981 94 Q CA 1.891 57.699 55.803 0.009 0.000 0.856 94 Q CB -0.291 28.450 28.738 0.006 0.000 0.902 94 Q HN 0.590 nan 8.270 nan 0.000 0.425 95 A N 0.610 123.427 122.820 -0.005 0.000 2.131 95 A HA -0.112 2.160 4.320 -3.413 0.000 0.220 95 A C 1.835 179.405 177.584 -0.024 0.000 1.158 95 A CA 1.027 53.055 52.037 -0.016 0.000 0.665 95 A CB -0.519 18.470 19.000 -0.018 0.000 0.795 95 A HN 0.498 nan 8.150 nan 0.000 0.460 96 L N -1.249 119.964 121.223 -0.017 0.000 2.554 96 L HA 0.221 2.513 4.340 -3.413 0.000 0.226 96 L C 1.567 178.428 176.870 -0.014 0.000 1.137 96 L CA 0.223 55.048 54.840 -0.026 0.000 0.863 96 L CB -1.091 40.960 42.059 -0.014 0.000 0.985 96 L HN 0.603 nan 8.230 nan 0.000 0.451 97 G N 0.374 109.171 108.800 -0.005 0.000 2.601 97 G HA2 -0.330 1.582 3.960 -3.413 0.000 0.252 97 G HA3 -0.330 1.582 3.960 -3.413 0.000 0.252 97 G C 0.656 175.572 174.900 0.027 0.000 1.294 97 G CA -0.005 45.093 45.100 -0.003 0.000 0.912 97 G HN 0.253 nan 8.290 nan 0.000 0.574 98 A N -0.934 121.902 122.820 0.026 0.000 2.167 98 A HA 0.396 2.668 4.320 -3.413 0.000 0.214 98 A C 1.715 179.362 177.584 0.106 0.000 1.151 98 A CA 2.075 54.144 52.037 0.054 0.000 0.735 98 A CB -0.154 18.870 19.000 0.040 0.000 0.802 98 A HN 0.694 nan 8.150 nan 0.000 0.467 99 E N -1.125 119.155 120.200 0.133 0.000 2.676 99 E HA 0.183 2.485 4.350 -3.413 0.000 0.225 99 E C 0.833 177.687 176.600 0.424 0.000 0.944 99 E CA 0.004 56.584 56.400 0.300 0.000 1.156 99 E CB 0.817 30.696 29.700 0.299 0.000 1.117 99 E HN 0.448 nan 8.360 nan 0.000 0.523 100 G N 0.818 109.754 108.800 0.228 0.000 2.547 100 G HA2 0.448 2.361 3.960 -3.413 0.000 0.291 100 G HA3 0.448 2.361 3.960 -3.413 0.000 0.291 100 G C -0.785 174.263 174.900 0.247 0.000 1.211 100 G CA -0.238 44.972 45.100 0.183 0.000 0.950 100 G HN 0.126 nan 8.290 nan 0.000 0.504 101 Y N -2.148 118.294 120.300 0.237 0.000 2.638 101 Y HA 0.709 3.209 4.550 -3.417 0.000 0.335 101 Y C -1.590 174.388 175.900 0.130 0.000 1.155 101 Y CA -1.857 56.346 58.100 0.172 0.000 1.046 101 Y CB 1.623 40.197 38.460 0.191 0.000 1.303 101 Y HN 0.619 nan 8.280 nan 0.000 0.460 102 L N 2.809 124.205 121.223 0.289 0.000 2.362 102 L HA 0.717 3.010 4.340 -3.413 0.000 0.275 102 L C -1.857 175.141 176.870 0.213 0.000 0.998 102 L CA -0.919 54.030 54.840 0.182 0.000 0.820 102 L CB 1.686 43.802 42.059 0.095 0.000 1.270 102 L HN 0.757 nan 8.230 nan 0.000 0.415 103 L N 4.838 126.161 121.223 0.167 0.000 2.305 103 L HA 0.679 2.972 4.340 -3.413 0.000 0.284 103 L C -0.563 176.334 176.870 0.044 0.000 1.013 103 L CA -0.406 54.480 54.840 0.077 0.000 0.819 103 L CB 1.670 43.731 42.059 0.004 0.000 1.227 103 L HN 0.683 nan 8.230 nan 0.000 0.417 104 E N 2.748 122.970 120.200 0.036 0.000 2.321 104 E HA 0.151 2.454 4.350 -3.413 0.000 0.281 104 E C -1.518 175.102 176.600 0.033 0.000 0.910 104 E CA -0.643 55.777 56.400 0.033 0.000 0.770 104 E CB 2.190 31.909 29.700 0.032 0.000 1.225 104 E HN 0.549 nan 8.360 nan 0.000 0.417 105 Q N 2.924 122.748 119.800 0.040 0.000 2.295 105 Q HA 0.325 2.617 4.340 -3.413 0.000 0.259 105 Q C -0.879 175.142 176.000 0.035 0.000 0.976 105 Q CA 0.473 56.306 55.803 0.051 0.000 0.923 105 Q CB 1.323 30.105 28.738 0.073 0.000 1.185 105 Q HN 0.616 nan 8.270 nan 0.000 0.410 106 T N 2.500 117.066 114.554 0.020 0.000 2.630 106 T HA 0.566 2.868 4.350 -3.413 0.000 0.300 106 T C -1.708 172.962 174.700 -0.051 0.000 1.261 106 T CA -0.723 61.371 62.100 -0.010 0.000 1.060 106 T CB 1.053 69.915 68.868 -0.010 0.000 1.670 106 T HN 0.538 nan 8.240 nan 0.000 0.473 107 R N 0.947 121.399 120.500 -0.079 0.000 2.686 107 R HA 0.688 2.980 4.340 -3.413 0.000 0.283 107 R C -1.164 175.074 176.300 -0.104 0.000 0.978 107 R CA -0.610 55.410 56.100 -0.133 0.000 0.897 107 R CB 1.118 31.316 30.300 -0.170 0.000 1.192 107 R HN 0.617 nan 8.270 nan 0.000 0.457 108 I N 2.484 122.984 120.570 -0.117 0.000 2.478 108 I HA 0.189 2.311 4.170 -3.413 0.000 0.287 108 I C -0.295 175.758 176.117 -0.107 0.000 1.042 108 I CA -0.806 60.435 61.300 -0.099 0.000 1.067 108 I CB 1.697 39.639 38.000 -0.097 0.000 1.233 108 I HN 0.505 nan 8.210 nan 0.000 0.431 109 N N 6.206 124.852 118.700 -0.090 0.000 2.727 109 N HA -0.208 2.484 4.740 -3.413 0.000 0.249 109 N C 0.277 175.730 175.510 -0.095 0.000 1.048 109 N CA 0.801 53.802 53.050 -0.082 0.000 0.714 109 N CB -0.688 37.754 38.487 -0.075 0.000 0.959 109 N HN 0.727 nan 8.380 nan 0.000 0.544 110 K N -4.107 116.222 120.400 -0.118 0.000 3.529 110 K HA -0.252 2.020 4.320 -3.413 0.000 0.313 110 K C 0.218 176.690 176.600 -0.214 0.000 1.316 110 K CA 1.237 57.432 56.287 -0.154 0.000 0.988 110 K CB -1.048 31.388 32.500 -0.106 0.000 1.252 110 K HN 0.403 nan 8.250 nan 0.000 0.438 111 R N 1.168 121.556 120.500 -0.187 0.000 2.441 111 R HA 0.259 2.552 4.340 -3.413 0.000 0.284 111 R C -0.119 176.009 176.300 -0.286 0.000 1.070 111 R CA -0.228 55.754 56.100 -0.196 0.000 1.047 111 R CB 0.278 30.502 30.300 -0.126 0.000 1.016 111 R HN 0.152 nan 8.270 nan 0.000 0.477 112 H N 0.647 119.500 119.070 -0.361 0.000 2.767 112 H HA 0.330 2.838 4.556 -3.413 0.000 0.316 112 H C -0.010 175.162 175.328 -0.261 0.000 1.059 112 H CA 0.030 55.833 56.048 -0.409 0.000 1.461 112 H CB 0.562 29.757 29.762 -0.945 0.000 1.475 112 H HN 0.358 nan 8.280 nan 0.000 0.531 113 V N 0.969 120.866 119.914 -0.028 0.000 3.159 113 V HA 0.675 2.747 4.120 -3.413 0.000 0.308 113 V C -0.847 175.272 176.094 0.041 0.000 1.190 113 V CA -0.985 61.321 62.300 0.010 0.000 1.037 113 V CB 2.173 33.980 31.823 -0.026 0.000 1.060 113 V HN 0.436 nan 8.190 nan 0.000 0.437 114 V N 3.739 123.684 119.914 0.052 0.000 2.448 114 V HA 0.568 2.640 4.120 -3.413 0.000 0.295 114 V C -0.002 176.109 176.094 0.028 0.000 1.025 114 V CA -0.398 61.929 62.300 0.045 0.000 0.859 114 V CB 1.478 33.333 31.823 0.053 0.000 0.988 114 V HN 0.983 nan 8.190 nan 0.000 0.431 115 I N 2.571 123.155 120.570 0.023 0.000 2.437 115 I HA 0.763 2.885 4.170 -3.413 0.000 0.298 115 I C -0.726 175.407 176.117 0.027 0.000 0.984 115 I CA -0.714 60.600 61.300 0.023 0.000 1.214 115 I CB 1.960 39.973 38.000 0.022 0.000 1.365 115 I HN 0.259 nan 8.210 nan 0.000 0.469 116 V N 5.688 125.616 119.914 0.024 0.000 2.284 116 V HA 0.666 2.739 4.120 -3.413 0.000 0.274 116 V C 0.438 176.565 176.094 0.055 0.000 1.023 116 V CA -0.286 62.031 62.300 0.027 0.000 0.808 116 V CB 0.669 32.477 31.823 -0.025 0.000 1.035 116 V HN 0.926 nan 8.190 nan 0.000 0.445 117 A N 4.059 126.936 122.820 0.095 0.000 2.337 117 A HA 1.033 3.305 4.320 -3.413 0.000 0.329 117 A C -0.076 177.594 177.584 0.143 0.000 1.146 117 A CA -0.003 52.091 52.037 0.095 0.000 0.800 117 A CB 1.726 20.769 19.000 0.073 0.000 1.220 117 A HN 1.339 nan 8.150 nan 0.000 0.472 118 A N 1.145 124.035 122.820 0.116 0.000 2.602 118 A HA 0.633 2.905 4.320 -3.413 0.000 0.290 118 A C 0.111 177.747 177.584 0.087 0.000 1.114 118 A CA -0.626 51.492 52.037 0.135 0.000 0.683 118 A CB 0.521 19.627 19.000 0.176 0.000 1.281 118 A HN 0.647 nan 8.150 nan 0.000 0.416 119 N N 0.170 118.921 118.700 0.084 0.000 2.376 119 N HA 0.003 2.695 4.740 -3.413 0.000 0.177 119 N C 0.704 176.245 175.510 0.052 0.000 1.024 119 N CA 1.487 54.572 53.050 0.058 0.000 0.893 119 N CB 0.107 38.623 38.487 0.050 0.000 0.980 119 N HN 0.805 nan 8.380 nan 0.000 0.439 120 S N -0.467 115.270 115.700 0.062 0.000 2.634 120 S HA 0.385 2.807 4.470 -3.413 0.000 0.296 120 S C 0.174 174.790 174.600 0.026 0.000 1.104 120 S CA -0.778 57.448 58.200 0.043 0.000 0.920 120 S CB 2.273 65.503 63.200 0.049 0.000 1.111 120 S HN -0.221 nan 8.310 nan 0.000 0.493 121 D N 0.880 121.281 120.400 0.002 0.000 2.144 121 D HA -0.076 2.516 4.640 -3.413 0.000 0.200 121 D C 1.911 178.167 176.300 -0.073 0.000 0.978 121 D CA 0.860 54.844 54.000 -0.026 0.000 0.833 121 D CB -0.391 40.391 40.800 -0.031 0.000 0.961 121 D HN 0.323 nan 8.370 nan 0.000 0.470 122 V N 0.776 120.633 119.914 -0.096 0.000 2.515 122 V HA -0.097 1.975 4.120 -3.413 0.000 0.250 122 V C 2.186 178.062 176.094 -0.364 0.000 1.058 122 V CA 2.152 64.289 62.300 -0.272 0.000 1.064 122 V CB -0.547 31.134 31.823 -0.236 0.000 0.675 122 V HN 0.261 nan 8.190 nan 0.000 0.461 123 G N -0.685 108.093 108.800 -0.037 0.000 2.422 123 G HA2 -0.194 1.718 3.960 -3.413 0.000 0.218 123 G HA3 -0.194 1.718 3.960 -3.413 0.000 0.218 123 G C 1.631 176.626 174.900 0.159 0.000 1.146 123 G CA 1.208 46.431 45.100 0.205 0.000 0.769 123 G HN 0.440 nan 8.290 nan 0.000 0.547 124 V N 0.670 120.609 119.914 0.041 0.000 2.343 124 V HA -0.128 1.944 4.120 -3.413 0.000 0.247 124 V C 2.649 178.703 176.094 -0.066 0.000 1.051 124 V CA 1.583 63.882 62.300 -0.001 0.000 1.036 124 V CB -0.448 31.365 31.823 -0.017 0.000 0.654 124 V HN 0.362 nan 8.190 nan 0.000 0.451 125 L N -0.538 120.622 121.223 -0.105 0.000 2.017 125 L HA -0.148 2.144 4.340 -3.413 0.000 0.208 125 L C 2.412 179.334 176.870 0.086 0.000 1.073 125 L CA 2.137 56.930 54.840 -0.079 0.000 0.745 125 L CB -0.854 41.146 42.059 -0.098 0.000 0.894 125 L HN 0.325 nan 8.230 nan 0.000 0.432 126 Y N 0.230 120.611 120.300 0.135 0.000 2.165 126 Y HA -0.072 2.437 4.550 -3.403 0.000 0.286 126 Y C 2.604 178.285 175.900 -0.365 0.000 1.155 126 Y CA 0.931 59.063 58.100 0.052 0.000 1.164 126 Y CB -1.663 36.911 38.460 0.190 0.000 0.978 126 Y HN 0.257 nan 8.280 nan 0.000 0.513 127 G N -1.164 107.322 108.800 -0.524 0.000 2.422 127 G HA2 -0.204 1.708 3.960 -3.413 0.000 0.218 127 G HA3 -0.204 1.708 3.960 -3.413 0.000 0.218 127 G C 1.907 176.558 174.900 -0.416 0.000 1.146 127 G CA 1.154 45.609 45.100 -1.075 0.000 0.769 127 G HN 0.397 nan 8.290 nan 0.000 0.547 128 S N 0.646 116.209 115.700 -0.228 0.000 2.368 128 S HA -0.056 2.366 4.470 -3.413 0.000 0.225 128 S C 1.970 176.470 174.600 -0.166 0.000 1.030 128 S CA 0.932 59.008 58.200 -0.207 0.000 0.999 128 S CB -0.385 62.662 63.200 -0.255 0.000 0.844 128 S HN 0.309 nan 8.310 nan 0.000 0.459 129 F N 1.039 120.955 119.950 -0.057 0.000 2.171 129 F HA -0.084 2.404 4.527 -3.399 0.000 0.300 129 F C 2.316 178.116 175.800 0.001 0.000 1.090 129 F CA 1.402 59.404 58.000 0.004 0.000 1.293 129 F CB -0.693 38.329 39.000 0.036 0.000 1.013 129 F HN 0.389 nan 8.300 nan 0.000 0.486 130 H N -0.572 118.467 119.070 -0.053 0.000 2.357 130 H HA -0.139 2.373 4.556 -3.407 0.000 0.301 130 H C 2.442 177.734 175.328 -0.060 0.000 1.082 130 H CA 0.826 56.815 56.048 -0.099 0.000 1.342 130 H CB -0.068 29.582 29.762 -0.186 0.000 1.389 130 H HN 0.147 nan 8.280 nan 0.000 0.511 131 L N 1.130 122.328 121.223 -0.042 0.000 2.012 131 L HA -0.197 2.096 4.340 -3.413 0.000 0.210 131 L C 2.164 179.009 176.870 -0.043 0.000 1.073 131 L CA 1.506 56.292 54.840 -0.091 0.000 0.748 131 L CB -0.860 41.130 42.059 -0.116 0.000 0.891 131 L HN 0.438 nan 8.230 nan 0.000 0.431 132 L N -0.394 120.823 121.223 -0.010 0.000 2.046 132 L HA -0.231 2.062 4.340 -3.413 0.000 0.208 132 L C 2.833 179.760 176.870 0.095 0.000 1.077 132 L CA 1.413 56.260 54.840 0.012 0.000 0.747 132 L CB -0.552 41.544 42.059 0.061 0.000 0.896 132 L HN 0.303 nan 8.230 nan 0.000 0.432 133 R N 0.544 121.143 120.500 0.165 0.000 2.105 133 R HA -0.183 2.109 4.340 -3.413 0.000 0.239 133 R C 2.317 178.709 176.300 0.153 0.000 1.135 133 R CA 1.370 57.574 56.100 0.173 0.000 0.967 133 R CB -0.248 30.155 30.300 0.173 0.000 0.861 133 R HN 0.301 nan 8.270 nan 0.000 0.442 134 L N 0.276 121.580 121.223 0.135 0.000 2.042 134 L HA -0.223 2.069 4.340 -3.413 0.000 0.210 134 L C 2.398 179.354 176.870 0.144 0.000 1.076 134 L CA 1.406 56.322 54.840 0.127 0.000 0.749 134 L CB -0.352 41.735 42.059 0.046 0.000 0.893 134 L HN 0.284 nan 8.230 nan 0.000 0.432 135 I N -0.810 119.741 120.570 -0.030 0.000 2.233 135 I HA -0.280 1.842 4.170 -3.413 0.000 0.243 135 I C 2.584 178.689 176.117 -0.021 0.000 1.093 135 I CA 1.161 62.317 61.300 -0.240 0.000 1.380 135 I CB -0.317 37.373 38.000 -0.517 0.000 1.067 135 I HN 0.290 nan 8.210 nan 0.000 0.413 136 Q N 0.143 119.969 119.800 0.043 0.000 2.181 136 Q HA -0.201 2.091 4.340 -3.413 0.000 0.205 136 Q C 1.761 177.819 176.000 0.098 0.000 0.980 136 Q CA 2.058 57.911 55.803 0.082 0.000 0.862 136 Q CB -0.298 28.502 28.738 0.104 0.000 0.905 136 Q HN 0.616 nan 8.270 nan 0.000 0.429 137 T N -3.037 111.611 114.554 0.158 0.000 3.163 137 T HA 0.126 2.428 4.350 -3.413 0.000 0.252 137 T C 0.056 174.861 174.700 0.176 0.000 1.056 137 T CA -0.290 61.927 62.100 0.196 0.000 0.947 137 T CB 0.276 69.329 68.868 0.309 0.000 1.016 137 T HN 0.219 nan 8.240 nan 0.000 0.554 138 Q N 0.373 120.290 119.800 0.195 0.000 2.468 138 Q HA -0.180 2.113 4.340 -3.413 0.000 0.289 138 Q C -0.996 175.051 176.000 0.078 0.000 1.299 138 Q CA 0.460 56.371 55.803 0.181 0.000 0.838 138 Q CB -2.140 26.641 28.738 0.071 0.000 1.195 138 Q HN 0.782 nan 8.270 nan 0.000 0.456 139 H N -0.592 118.601 119.070 0.206 0.000 2.487 139 H HA 0.585 3.094 4.556 -3.413 0.000 0.333 139 H C 0.332 175.784 175.328 0.206 0.000 1.114 139 H CA 0.354 56.498 56.048 0.159 0.000 1.310 139 H CB 1.153 30.992 29.762 0.128 0.000 1.462 139 H HN 0.387 nan 8.280 nan 0.000 0.516 140 A N 3.244 126.194 122.820 0.217 0.000 2.425 140 A HA 0.165 2.437 4.320 -3.413 0.000 0.249 140 A C 0.761 178.459 177.584 0.189 0.000 1.084 140 A CA -0.352 51.776 52.037 0.151 0.000 0.781 140 A CB 0.145 19.180 19.000 0.059 0.000 1.019 140 A HN 0.873 nan 8.150 nan 0.000 0.490 141 L N 0.921 122.262 121.223 0.197 0.000 2.529 141 L HA 0.118 2.411 4.340 -3.413 0.000 0.223 141 L C 1.214 178.150 176.870 0.109 0.000 1.113 141 L CA 0.186 55.122 54.840 0.159 0.000 0.861 141 L CB -0.259 41.914 42.059 0.190 0.000 1.012 141 L HN 0.870 nan 8.230 nan 0.000 0.461 142 E N 2.069 122.322 120.200 0.088 0.000 2.417 142 E HA -0.089 2.213 4.350 -3.413 0.000 0.261 142 E C 0.072 176.712 176.600 0.066 0.000 1.000 142 E CA 0.024 56.467 56.400 0.071 0.000 0.919 142 E CB 0.315 30.044 29.700 0.048 0.000 0.955 142 E HN 0.016 nan 8.360 nan 0.000 0.455 143 K N 1.898 122.337 120.400 0.065 0.000 3.274 143 K HA -0.228 2.044 4.320 -3.413 0.000 0.300 143 K C -0.090 176.541 176.600 0.052 0.000 1.230 143 K CA 0.455 56.775 56.287 0.055 0.000 0.884 143 K CB -1.892 30.636 32.500 0.046 0.000 1.242 143 K HN 0.561 nan 8.250 nan 0.000 0.467 144 L N 1.250 122.507 121.223 0.057 0.000 2.559 144 L HA 0.129 2.421 4.340 -3.413 0.000 0.274 144 L C 0.212 177.104 176.870 0.037 0.000 1.205 144 L CA 1.055 55.924 54.840 0.048 0.000 0.907 144 L CB 0.809 42.895 42.059 0.046 0.000 1.153 144 L HN 0.202 nan 8.230 nan 0.000 0.490 145 S N 5.849 121.568 115.700 0.032 0.000 2.387 145 S HA 0.600 3.023 4.470 -3.413 0.000 0.211 145 S C -1.351 173.266 174.600 0.028 0.000 1.055 145 S CA -0.705 57.512 58.200 0.029 0.000 1.133 145 S CB -0.091 63.126 63.200 0.028 0.000 1.235 145 S HN 0.765 nan 8.310 nan 0.000 0.425 146 L N 2.189 123.430 121.223 0.030 0.000 2.434 146 L HA 1.042 3.334 4.340 -3.413 0.000 0.260 146 L C -0.613 176.285 176.870 0.046 0.000 0.983 146 L CA -0.453 54.409 54.840 0.036 0.000 0.820 146 L CB 1.847 43.928 42.059 0.036 0.000 1.361 146 L HN 0.406 nan 8.230 nan 0.000 0.410 147 S N 0.973 116.685 115.700 0.020 0.000 2.599 147 S HA 0.946 3.369 4.470 -3.413 0.000 0.287 147 S C -0.588 173.955 174.600 -0.094 0.000 1.105 147 S CA -0.406 57.767 58.200 -0.046 0.000 0.899 147 S CB 1.701 64.877 63.200 -0.039 0.000 1.100 147 S HN 1.180 nan 8.310 nan 0.000 0.482 148 S N -0.215 115.304 115.700 -0.301 0.000 2.550 148 S HA 0.817 3.239 4.470 -3.413 0.000 0.270 148 S C -1.514 172.985 174.600 -0.168 0.000 1.145 148 S CA -0.203 57.901 58.200 -0.160 0.000 0.852 148 S CB 1.336 64.551 63.200 0.025 0.000 1.119 148 S HN 1.783 nan 8.310 nan 0.000 0.465 149 A N 3.697 126.471 122.820 -0.077 0.000 2.515 149 A HA 0.901 3.173 4.320 -3.413 0.000 0.298 149 A C -3.093 174.064 177.584 -0.710 0.000 1.059 149 A CA -1.607 50.281 52.037 -0.248 0.000 0.698 149 A CB 1.460 20.341 19.000 -0.198 0.000 1.289 149 A HN 0.549 nan 8.150 nan 0.000 0.404 150 P HA 0.281 nan 4.420 nan 0.000 0.275 150 P C -0.092 176.785 177.300 -0.706 0.000 1.228 150 P CA -0.156 62.004 63.100 -1.567 0.000 0.786 150 P CB 0.874 31.685 31.700 -1.481 0.000 0.927 151 R N 0.915 121.099 120.500 -0.528 0.000 2.300 151 R HA 0.277 2.569 4.340 -3.413 0.000 0.199 151 R C 0.390 176.589 176.300 -0.167 0.000 0.920 151 R CA 0.242 56.185 56.100 -0.262 0.000 1.046 151 R CB -0.039 30.154 30.300 -0.178 0.000 0.984 151 R HN 0.439 nan 8.270 nan 0.000 0.493 152 L N -0.327 120.768 121.223 -0.213 0.000 2.401 152 L HA 0.296 2.588 4.340 -3.413 0.000 0.266 152 L C 0.693 177.465 176.870 -0.164 0.000 0.991 152 L CA -0.670 54.087 54.840 -0.139 0.000 0.818 152 L CB 2.396 44.393 42.059 -0.104 0.000 1.321 152 L HN -0.157 nan 8.230 nan 0.000 0.413 153 Q N 0.338 120.062 119.800 -0.127 0.000 2.062 153 Q HA 0.048 2.340 4.340 -3.413 0.000 0.196 153 Q C -0.097 175.741 176.000 -0.271 0.000 0.967 153 Q CA 1.005 56.677 55.803 -0.219 0.000 0.832 153 Q CB 0.344 28.928 28.738 -0.257 0.000 0.899 153 Q HN 0.443 nan 8.270 nan 0.000 0.442 154 H N 0.613 119.726 119.070 0.072 0.000 2.581 154 H HA 0.371 2.875 4.556 -3.420 0.000 0.308 154 H C -0.585 174.733 175.328 -0.016 0.000 1.040 154 H CA -0.143 55.957 56.048 0.087 0.000 1.231 154 H CB 0.605 30.442 29.762 0.125 0.000 1.396 154 H HN 0.064 nan 8.280 nan 0.000 0.467 155 R N 2.559 123.117 120.500 0.098 0.000 2.352 155 R HA 0.371 2.663 4.340 -3.413 0.000 0.304 155 R C -0.739 175.626 176.300 0.107 0.000 1.104 155 R CA -0.566 55.555 56.100 0.036 0.000 0.991 155 R CB 2.031 32.322 30.300 -0.016 0.000 1.140 155 R HN 0.267 nan 8.270 nan 0.000 0.540 156 V N 3.249 123.227 119.914 0.105 0.000 2.769 156 V HA 0.639 2.711 4.120 -3.413 0.000 0.312 156 V C -0.391 175.751 176.094 0.081 0.000 1.061 156 V CA -0.757 61.586 62.300 0.072 0.000 0.931 156 V CB 2.316 34.067 31.823 -0.119 0.000 1.010 156 V HN 0.419 nan 8.190 nan 0.000 0.433 157 V N 3.521 123.459 119.914 0.041 0.000 2.713 157 V HA 0.758 2.831 4.120 -3.413 0.000 0.307 157 V C -0.501 175.531 176.094 -0.105 0.000 1.052 157 V CA -0.679 61.537 62.300 -0.140 0.000 0.967 157 V CB 1.695 33.416 31.823 -0.170 0.000 1.019 157 V HN 0.896 nan 8.190 nan 0.000 0.459 158 N N 1.268 119.799 118.700 -0.281 0.000 2.284 158 N HA 0.527 3.219 4.740 -3.413 0.000 0.300 158 N C -1.123 174.213 175.510 -0.291 0.000 1.047 158 N CA -0.478 52.495 53.050 -0.128 0.000 0.821 158 N CB 1.341 39.766 38.487 -0.103 0.000 1.337 158 N HN 0.851 nan 8.380 nan 0.000 0.482 159 H N 0.855 119.951 119.070 0.043 0.000 2.646 159 H HA 0.189 2.714 4.556 -3.385 0.000 0.328 159 H C -0.319 175.155 175.328 0.242 0.000 0.998 159 H CA -0.429 55.659 56.048 0.067 0.000 1.225 159 H CB 1.382 31.305 29.762 0.269 0.000 1.457 159 H HN 0.471 nan 8.280 nan 0.000 0.505 160 W N 3.319 124.634 121.300 0.025 0.000 1.694 160 W HA 0.135 2.778 4.660 -3.363 0.000 0.425 160 W C -0.495 176.002 176.519 -0.037 0.000 0.615 160 W CA -0.876 56.441 57.345 -0.047 0.000 2.237 160 W CB -0.957 28.395 29.460 -0.180 0.000 1.478 160 W HN 0.455 nan 8.180 nan 0.000 0.427 161 D N 0.982 121.560 120.400 0.296 0.000 2.232 161 D HA 0.115 2.708 4.640 -3.413 0.000 0.242 161 D C 0.374 176.810 176.300 0.227 0.000 1.093 161 D CA -0.152 53.997 54.000 0.247 0.000 0.845 161 D CB 0.844 41.857 40.800 0.355 0.000 1.124 161 D HN -0.091 nan 8.370 nan 0.000 0.467 162 N N 1.362 120.165 118.700 0.172 0.000 2.515 162 N HA 0.201 2.893 4.740 -3.413 0.000 0.279 162 N C 1.248 176.879 175.510 0.201 0.000 1.164 162 N CA -0.445 52.690 53.050 0.143 0.000 0.982 162 N CB 1.205 39.768 38.487 0.126 0.000 1.170 162 N HN 0.313 nan 8.380 nan 0.000 0.474 163 L N 0.801 122.073 121.223 0.082 0.000 2.275 163 L HA -0.141 2.151 4.340 -3.413 0.000 0.215 163 L C 1.547 178.536 176.870 0.197 0.000 1.119 163 L CA 0.740 55.596 54.840 0.028 0.000 0.790 163 L CB -0.446 41.392 42.059 -0.368 0.000 0.919 163 L HN 0.556 nan 8.230 nan 0.000 0.443 164 N N 0.958 119.754 118.700 0.160 0.000 2.571 164 N HA -0.186 2.506 4.740 -3.413 0.000 0.189 164 N C 0.698 176.338 175.510 0.217 0.000 1.154 164 N CA 0.373 53.531 53.050 0.180 0.000 0.907 164 N CB -0.122 38.440 38.487 0.125 0.000 0.977 164 N HN 0.275 nan 8.380 nan 0.000 0.449 165 R N -2.591 118.065 120.500 0.261 0.000 3.804 165 R HA -0.095 2.197 4.340 -3.413 0.000 0.459 165 R C -0.946 175.433 176.300 0.130 0.000 1.009 165 R CA 0.710 56.938 56.100 0.212 0.000 1.210 165 R CB -2.372 28.033 30.300 0.174 0.000 1.860 165 R HN 0.099 nan 8.270 nan 0.000 0.526 166 V N 1.975 121.977 119.914 0.147 0.000 2.530 166 V HA 0.244 2.316 4.120 -3.413 0.000 0.282 166 V C 0.847 177.003 176.094 0.103 0.000 1.048 166 V CA -0.257 62.128 62.300 0.141 0.000 0.997 166 V CB 1.731 33.679 31.823 0.209 0.000 0.987 166 V HN -0.014 nan 8.190 nan 0.000 0.477 167 V N 4.442 124.369 119.914 0.021 0.000 2.394 167 V HA 0.276 2.348 4.120 -3.413 0.000 0.282 167 V C 0.296 176.214 176.094 -0.294 0.000 1.031 167 V CA -0.613 61.635 62.300 -0.087 0.000 0.881 167 V CB 1.388 33.140 31.823 -0.118 0.000 0.982 167 V HN 0.976 nan 8.190 nan 0.000 0.451 168 E N 5.945 125.854 120.200 -0.485 0.000 2.257 168 E HA 0.197 2.500 4.350 -3.413 0.000 0.278 168 E C -0.011 176.206 176.600 -0.640 0.000 1.049 168 E CA -0.484 55.236 56.400 -1.134 0.000 0.876 168 E CB 0.170 29.192 29.700 -1.129 0.000 1.035 168 E HN 0.517 nan 8.360 nan 0.000 0.419 169 R N 1.783 121.830 120.500 -0.755 0.000 3.332 169 R HA -0.136 2.156 4.340 -3.413 0.000 0.263 169 R C -0.500 175.170 176.300 -1.050 0.000 1.053 169 R CA 0.898 56.611 56.100 -0.645 0.000 0.705 169 R CB -2.545 27.664 30.300 -0.152 0.000 1.166 169 R HN 0.595 nan 8.270 nan 0.000 0.427 170 G N -0.098 108.040 108.800 -1.103 0.000 2.487 170 G HA2 0.561 2.473 3.960 -3.413 0.000 0.314 170 G HA3 0.561 2.473 3.960 -3.413 0.000 0.314 170 G C -0.219 174.149 174.900 -0.886 0.000 1.267 170 G CA -0.538 44.068 45.100 -0.824 0.000 0.937 170 G HN 0.203 nan 8.290 nan 0.000 0.481 171 Y N 1.203 121.438 120.300 -0.108 0.000 2.682 171 Y HA 0.459 2.956 4.550 -3.422 0.000 0.251 171 Y C 1.430 177.348 175.900 0.030 0.000 1.172 171 Y CA -0.337 57.728 58.100 -0.057 0.000 1.186 171 Y CB 1.004 39.434 38.460 -0.049 0.000 1.216 171 Y HN 0.650 nan 8.280 nan 0.000 0.540 172 A N -0.402 122.459 122.820 0.068 0.000 2.610 172 A HA 0.697 2.969 4.320 -3.413 0.000 0.291 172 A C 1.030 178.642 177.584 0.048 0.000 1.116 172 A CA 0.239 52.336 52.037 0.101 0.000 0.963 172 A CB -0.303 18.776 19.000 0.130 0.000 1.220 172 A HN 0.505 nan 8.150 nan 0.000 0.530 173 G N -0.741 108.070 108.800 0.019 0.000 2.422 173 G HA2 0.030 1.942 3.960 -3.413 0.000 0.607 173 G HA3 0.030 1.942 3.960 -3.413 0.000 0.607 173 G C -0.518 174.366 174.900 -0.027 0.000 1.270 173 G CA -0.623 44.477 45.100 0.000 0.000 0.992 173 G HN 0.571 nan 8.290 nan 0.000 0.499 174 L N 0.400 121.604 121.223 -0.032 0.000 2.472 174 L HA 0.475 2.768 4.340 -3.413 0.000 0.260 174 L C 1.735 178.541 176.870 -0.107 0.000 1.209 174 L CA 0.167 54.984 54.840 -0.038 0.000 0.817 174 L CB 0.936 42.983 42.059 -0.020 0.000 1.106 174 L HN 0.794 nan 8.230 nan 0.000 0.479 175 S N 0.422 116.057 115.700 -0.109 0.000 2.558 175 S HA 0.025 2.447 4.470 -3.413 0.000 0.293 175 S C 1.190 175.518 174.600 -0.454 0.000 1.292 175 S CA -0.438 57.602 58.200 -0.268 0.000 1.063 175 S CB 0.266 63.401 63.200 -0.107 0.000 0.831 175 S HN 0.501 nan 8.310 nan 0.000 0.499 176 L N 3.631 124.353 121.223 -0.835 0.000 2.265 176 L HA -0.034 2.259 4.340 -3.413 0.000 0.215 176 L C 0.520 177.075 176.870 -0.525 0.000 1.117 176 L CA 0.636 54.997 54.840 -0.799 0.000 0.782 176 L CB -0.251 41.140 42.059 -1.114 0.000 0.914 176 L HN 0.694 nan 8.230 nan 0.000 0.441 177 W N 0.143 121.299 121.300 -0.239 0.000 2.437 177 W HA 0.190 2.795 4.660 -3.426 0.000 0.312 177 W C 0.091 176.196 176.519 -0.689 0.000 1.242 177 W CA -1.064 55.906 57.345 -0.626 0.000 1.340 177 W CB 0.104 28.858 29.460 -1.177 0.000 1.327 177 W HN -0.133 nan 8.180 nan 0.000 0.476 178 D N 3.405 123.713 120.400 -0.152 0.000 2.522 178 D HA 0.113 2.706 4.640 -3.413 0.000 0.218 178 D C 0.515 176.807 176.300 -0.013 0.000 1.149 178 D CA -0.543 53.431 54.000 -0.044 0.000 0.981 178 D CB 0.030 40.892 40.800 0.103 0.000 1.041 178 D HN 0.375 nan 8.370 nan 0.000 0.518 179 W N 2.059 123.475 121.300 0.193 0.000 2.342 179 W HA -0.027 2.583 4.660 -3.416 0.000 0.297 179 W C 2.454 178.993 176.519 0.035 0.000 1.213 179 W CA 0.605 58.015 57.345 0.108 0.000 1.251 179 W CB -0.213 29.369 29.460 0.204 0.000 1.136 179 W HN 0.460 nan 8.180 nan 0.000 0.526 180 G N -0.160 108.804 108.800 0.272 0.000 2.462 180 G HA2 -0.274 1.639 3.960 -3.413 0.000 0.220 180 G HA3 -0.274 1.639 3.960 -3.413 0.000 0.220 180 G C 1.410 176.383 174.900 0.122 0.000 1.121 180 G CA 1.467 46.667 45.100 0.166 0.000 0.758 180 G HN 0.336 nan 8.290 nan 0.000 0.559 181 S N -1.032 114.754 115.700 0.143 0.000 2.559 181 S HA 0.435 2.857 4.470 -3.413 0.000 0.226 181 S C 0.615 175.315 174.600 0.167 0.000 1.000 181 S CA -0.585 57.708 58.200 0.154 0.000 0.948 181 S CB 0.109 63.435 63.200 0.210 0.000 0.870 181 S HN 0.125 nan 8.310 nan 0.000 0.497 182 L N 2.423 123.725 121.223 0.132 0.000 2.399 182 L HA 0.407 2.699 4.340 -3.413 0.000 0.266 182 L C -1.425 175.469 176.870 0.040 0.000 1.114 182 L CA -2.126 52.764 54.840 0.084 0.000 0.804 182 L CB 1.084 43.172 42.059 0.049 0.000 1.146 182 L HN -0.012 nan 8.230 nan 0.000 0.451 183 P HA 0.038 nan 4.420 nan 0.000 0.245 183 P C 0.346 177.683 177.300 0.061 0.000 1.206 183 P CA 0.490 63.601 63.100 0.018 0.000 0.781 183 P CB 0.192 31.890 31.700 -0.004 0.000 0.994 184 N N -0.356 118.396 118.700 0.087 0.000 2.104 184 N HA -0.181 2.511 4.740 -3.413 0.000 0.190 184 N C 0.410 176.033 175.510 0.189 0.000 1.024 184 N CA 1.017 54.134 53.050 0.113 0.000 0.853 184 N CB -0.945 37.600 38.487 0.097 0.000 1.008 184 N HN 0.201 nan 8.380 nan 0.000 0.424 185 Y N 1.601 121.940 120.300 0.065 0.000 2.454 185 Y HA 0.367 2.870 4.550 -3.411 0.000 0.345 185 Y C -0.783 175.205 175.900 0.147 0.000 0.970 185 Y CA -1.454 56.692 58.100 0.078 0.000 1.204 185 Y CB 0.127 38.620 38.460 0.055 0.000 1.122 185 Y HN -0.055 nan 8.280 nan 0.000 0.514 186 L N 7.266 128.435 121.223 -0.090 0.000 2.389 186 L HA 0.442 2.734 4.340 -3.413 0.000 0.265 186 L C 0.672 177.270 176.870 -0.453 0.000 1.167 186 L CA -0.642 54.139 54.840 -0.098 0.000 1.045 186 L CB -0.295 41.787 42.059 0.038 0.000 1.351 186 L HN 0.732 nan 8.230 nan 0.000 0.419 187 A N 4.077 126.351 122.820 -0.910 0.000 2.511 187 A HA 0.279 2.552 4.320 -3.413 0.000 0.242 187 A C -1.276 176.023 177.584 -0.474 0.000 1.069 187 A CA -0.937 50.439 52.037 -1.101 0.000 0.763 187 A CB 0.157 18.384 19.000 -1.288 0.000 1.001 187 A HN 0.459 nan 8.150 nan 0.000 0.498 188 P HA -0.178 nan 4.420 nan 0.000 0.217 188 P C 1.596 178.931 177.300 0.059 0.000 1.148 188 P CA 1.292 64.387 63.100 -0.009 0.000 0.828 188 P CB 0.066 31.789 31.700 0.039 0.000 0.783 189 R N -1.356 119.120 120.500 -0.039 0.000 2.152 189 R HA -0.183 2.109 4.340 -3.413 0.000 0.232 189 R C 1.958 178.457 176.300 0.331 0.000 1.117 189 R CA 1.274 57.459 56.100 0.142 0.000 0.981 189 R CB -0.543 29.733 30.300 -0.039 0.000 0.870 189 R HN 0.163 nan 8.270 nan 0.000 0.451 190 Y N -0.133 120.341 120.300 0.289 0.000 2.224 190 Y HA -0.146 2.355 4.550 -3.415 0.000 0.289 190 Y C 2.479 178.681 175.900 0.504 0.000 1.146 190 Y CA 1.434 59.803 58.100 0.449 0.000 1.182 190 Y CB -0.963 37.657 38.460 0.267 0.000 0.983 190 Y HN 0.031 nan 8.280 nan 0.000 0.524 191 T N -0.252 114.576 114.554 0.456 0.000 2.821 191 T HA -0.137 2.165 4.350 -3.413 0.000 0.267 191 T C 1.374 176.153 174.700 0.132 0.000 1.046 191 T CA 1.516 63.797 62.100 0.301 0.000 1.139 191 T CB -0.308 68.720 68.868 0.267 0.000 0.871 191 T HN 0.300 nan 8.240 nan 0.000 0.454 192 D N 0.254 120.788 120.400 0.224 0.000 2.144 192 D HA -0.080 2.513 4.640 -3.413 0.000 0.199 192 D C 1.681 177.980 176.300 -0.002 0.000 0.984 192 D CA 0.875 54.951 54.000 0.128 0.000 0.834 192 D CB -0.371 40.600 40.800 0.286 0.000 0.955 192 D HN 0.474 nan 8.370 nan 0.000 0.465 193 Y N 1.664 122.064 120.300 0.166 0.000 2.181 193 Y HA -0.185 2.316 4.550 -3.415 0.000 0.288 193 Y C 2.263 178.093 175.900 -0.116 0.000 1.146 193 Y CA 1.839 59.965 58.100 0.043 0.000 1.164 193 Y CB -0.205 38.542 38.460 0.478 0.000 0.982 193 Y HN -0.054 nan 8.280 nan 0.000 0.515 194 A N 0.650 123.435 122.820 -0.058 0.000 1.930 194 A HA -0.141 2.131 4.320 -3.413 0.000 0.217 194 A C 2.265 179.544 177.584 -0.508 0.000 1.175 194 A CA 1.572 53.436 52.037 -0.288 0.000 0.627 194 A CB -0.577 18.384 19.000 -0.066 0.000 0.815 194 A HN 0.546 nan 8.150 nan 0.000 0.443 195 R N -0.512 119.618 120.500 -0.618 0.000 2.073 195 R HA -0.077 2.216 4.340 -3.413 0.000 0.234 195 R C 2.002 178.056 176.300 -0.409 0.000 1.134 195 R CA 1.671 57.533 56.100 -0.396 0.000 0.952 195 R CB -0.560 29.626 30.300 -0.190 0.000 0.850 195 R HN 0.551 nan 8.270 nan 0.000 0.433 196 I N 1.260 121.494 120.570 -0.560 0.000 2.118 196 I HA -0.351 1.771 4.170 -3.413 0.000 0.241 196 I C 1.994 177.838 176.117 -0.454 0.000 1.070 196 I CA 1.343 62.201 61.300 -0.736 0.000 1.327 196 I CB -0.340 36.973 38.000 -1.145 0.000 1.034 196 I HN 0.228 nan 8.210 nan 0.000 0.405 197 N N 0.757 119.215 118.700 -0.404 0.000 2.171 197 N HA -0.091 2.601 4.740 -3.413 0.000 0.184 197 N C 1.887 177.313 175.510 -0.140 0.000 1.021 197 N CA 1.543 54.486 53.050 -0.179 0.000 0.854 197 N CB -0.315 38.038 38.487 -0.224 0.000 0.994 197 N HN 0.346 nan 8.380 nan 0.000 0.426 198 A N 1.060 123.794 122.820 -0.142 0.000 2.019 198 A HA -0.133 2.139 4.320 -3.413 0.000 0.219 198 A C 2.344 179.692 177.584 -0.394 0.000 1.164 198 A CA 1.865 53.918 52.037 0.028 0.000 0.644 198 A CB -0.665 18.551 19.000 0.359 0.000 0.805 198 A HN 0.457 nan 8.150 nan 0.000 0.449 199 S N -0.312 114.804 115.700 -0.974 0.000 2.442 199 S HA -0.012 2.410 4.470 -3.413 0.000 0.236 199 S C 1.434 175.725 174.600 -0.515 0.000 1.007 199 S CA 1.345 58.758 58.200 -1.312 0.000 0.965 199 S CB -0.470 62.231 63.200 -0.832 0.000 0.773 199 S HN 0.474 nan 8.310 nan 0.000 0.504 200 L N 0.455 121.457 121.223 -0.369 0.000 2.640 200 L HA 0.397 2.689 4.340 -3.413 0.000 0.230 200 L C 1.767 178.415 176.870 -0.371 0.000 1.123 200 L CA 0.268 54.874 54.840 -0.391 0.000 0.900 200 L CB -0.361 41.518 42.059 -0.300 0.000 1.146 200 L HN 0.549 nan 8.230 nan 0.000 0.484 201 G N 0.734 109.314 108.800 -0.367 0.000 2.143 201 G HA2 -0.238 1.675 3.960 -3.413 0.000 0.249 201 G HA3 -0.238 1.675 3.960 -3.413 0.000 0.249 201 G C 0.305 175.128 174.900 -0.129 0.000 0.981 201 G CA -0.428 44.372 45.100 -0.500 0.000 0.665 201 G HN 0.152 nan 8.290 nan 0.000 0.528 202 I N 1.881 122.441 120.570 -0.016 0.000 2.598 202 I HA 0.108 2.230 4.170 -3.413 0.000 0.284 202 I C 1.046 177.270 176.117 0.180 0.000 1.140 202 I CA 0.541 61.893 61.300 0.088 0.000 1.420 202 I CB 0.780 38.852 38.000 0.119 0.000 1.387 202 I HN 0.431 nan 8.210 nan 0.000 0.553 203 N N 3.967 122.800 118.700 0.223 0.000 2.200 203 N HA 0.243 2.935 4.740 -3.413 0.000 0.224 203 N C -0.032 175.689 175.510 0.352 0.000 1.179 203 N CA -0.311 52.925 53.050 0.311 0.000 0.877 203 N CB 1.067 39.754 38.487 0.333 0.000 1.072 203 N HN 0.593 nan 8.380 nan 0.000 0.519 204 G N -1.428 107.566 108.800 0.324 0.000 2.720 204 G HA2 0.513 2.425 3.960 -3.413 0.000 0.295 204 G HA3 0.513 2.425 3.960 -3.413 0.000 0.295 204 G C -1.941 173.155 174.900 0.326 0.000 1.437 204 G CA -0.537 44.827 45.100 0.441 0.000 0.886 204 G HN 0.069 nan 8.290 nan 0.000 0.509 205 T N -0.489 114.324 114.554 0.432 0.000 2.971 205 T HA 0.535 2.837 4.350 -3.413 0.000 0.304 205 T C -1.126 173.828 174.700 0.423 0.000 1.038 205 T CA -0.336 61.994 62.100 0.383 0.000 1.007 205 T CB 1.589 70.701 68.868 0.407 0.000 1.055 205 T HN 0.669 nan 8.240 nan 0.000 0.451 206 V N 7.776 127.905 119.914 0.358 0.000 2.328 206 V HA 0.331 2.403 4.120 -3.413 0.000 0.278 206 V C 1.510 177.844 176.094 0.400 0.000 1.021 206 V CA -0.520 61.994 62.300 0.357 0.000 0.838 206 V CB 0.664 32.665 31.823 0.296 0.000 0.999 206 V HN 0.903 nan 8.190 nan 0.000 0.447 207 I N 1.700 122.453 120.570 0.305 0.000 3.419 207 I HA 0.224 2.346 4.170 -3.413 0.000 0.286 207 I C 0.736 177.100 176.117 0.413 0.000 1.268 207 I CA 0.290 61.732 61.300 0.237 0.000 1.414 207 I CB -0.005 37.830 38.000 -0.274 0.000 1.074 207 I HN 0.669 nan 8.210 nan 0.000 0.457 208 N N 1.333 120.244 118.700 0.351 0.000 2.328 208 N HA 0.186 2.879 4.740 -3.413 0.000 0.299 208 N C -0.938 174.735 175.510 0.271 0.000 1.179 208 N CA -0.731 52.509 53.050 0.317 0.000 0.793 208 N CB 0.649 39.266 38.487 0.216 0.000 1.366 208 N HN -0.048 nan 8.380 nan 0.000 0.493 209 N N 0.144 118.967 118.700 0.205 0.000 2.412 209 N HA -0.056 2.636 4.740 -3.413 0.000 0.254 209 N C 1.572 177.099 175.510 0.028 0.000 1.232 209 N CA -0.050 53.068 53.050 0.112 0.000 0.880 209 N CB 0.804 39.305 38.487 0.024 0.000 1.076 209 N HN 0.501 nan 8.380 nan 0.000 0.458 210 V N 0.944 120.808 119.914 -0.084 0.000 2.469 210 V HA -0.106 1.966 4.120 -3.413 0.000 0.251 210 V C 0.566 176.582 176.094 -0.129 0.000 1.064 210 V CA 1.163 63.389 62.300 -0.122 0.000 1.066 210 V CB -0.548 31.138 31.823 -0.228 0.000 0.667 210 V HN 0.513 nan 8.190 nan 0.000 0.461 211 N N 2.581 121.178 118.700 -0.171 0.000 2.549 211 N HA 0.518 3.210 4.740 -3.413 0.000 0.267 211 N C 0.009 175.494 175.510 -0.042 0.000 1.182 211 N CA 0.749 53.744 53.050 -0.091 0.000 1.019 211 N CB 0.786 39.217 38.487 -0.093 0.000 1.380 211 N HN 0.715 nan 8.380 nan 0.000 0.505 212 A N 1.175 123.982 122.820 -0.021 0.000 2.331 212 A HA 0.192 2.464 4.320 -3.413 0.000 0.283 212 A C 0.151 177.726 177.584 -0.015 0.000 1.142 212 A CA -0.582 51.452 52.037 -0.006 0.000 0.812 212 A CB 0.615 19.623 19.000 0.013 0.000 1.074 212 A HN 0.377 nan 8.150 nan 0.000 0.497 213 D N 3.140 123.514 120.400 -0.042 0.000 2.274 213 D HA 0.300 2.893 4.640 -3.413 0.000 0.239 213 D C -1.510 174.734 176.300 -0.094 0.000 1.104 213 D CA -1.838 52.105 54.000 -0.094 0.000 0.840 213 D CB 1.486 42.190 40.800 -0.161 0.000 1.100 213 D HN 0.216 nan 8.370 nan 0.000 0.477 214 P HA -0.117 nan 4.420 nan 0.000 0.222 214 P C 1.315 178.596 177.300 -0.032 0.000 1.147 214 P CA 0.440 63.541 63.100 0.001 0.000 0.790 214 P CB 0.411 32.086 31.700 -0.043 0.000 0.780 215 R N 0.623 120.982 120.500 -0.235 0.000 2.200 215 R HA -0.083 2.209 4.340 -3.413 0.000 0.234 215 R C 2.102 178.221 176.300 -0.301 0.000 1.127 215 R CA 1.258 57.159 56.100 -0.332 0.000 0.989 215 R CB -0.620 29.337 30.300 -0.570 0.000 0.869 215 R HN 0.158 nan 8.270 nan 0.000 0.459 216 V N -1.588 118.160 119.914 -0.276 0.000 2.594 216 V HA -0.162 1.910 4.120 -3.413 0.000 0.253 216 V C 1.746 177.844 176.094 0.006 0.000 1.069 216 V CA 1.534 63.728 62.300 -0.177 0.000 1.082 216 V CB -0.508 31.250 31.823 -0.108 0.000 0.680 216 V HN 0.228 nan 8.190 nan 0.000 0.469 217 L N 1.819 123.103 121.223 0.101 0.000 2.591 217 L HA 0.183 2.476 4.340 -3.413 0.000 0.228 217 L C 1.477 178.434 176.870 0.144 0.000 1.133 217 L CA 0.476 55.376 54.840 0.099 0.000 0.880 217 L CB -0.404 41.708 42.059 0.088 0.000 1.033 217 L HN 0.573 nan 8.230 nan 0.000 0.450 218 S N -1.768 114.116 115.700 0.307 0.000 2.585 218 S HA -0.005 2.417 4.470 -3.413 0.000 0.273 218 S C 0.759 175.419 174.600 0.101 0.000 1.339 218 S CA -0.527 57.864 58.200 0.319 0.000 1.028 218 S CB 1.565 64.925 63.200 0.267 0.000 0.906 218 S HN 0.159 nan 8.310 nan 0.000 0.528 219 D N 0.610 121.053 120.400 0.071 0.000 2.133 219 D HA -0.207 2.385 4.640 -3.413 0.000 0.195 219 D C 2.061 178.301 176.300 -0.100 0.000 0.997 219 D CA 1.890 55.879 54.000 -0.019 0.000 0.840 219 D CB -0.136 40.704 40.800 0.066 0.000 0.947 219 D HN 0.780 nan 8.370 nan 0.000 0.452 220 Q N -0.916 118.876 119.800 -0.013 0.000 2.062 220 Q HA -0.231 2.061 4.340 -3.413 0.000 0.209 220 Q C 1.885 177.756 176.000 -0.215 0.000 0.996 220 Q CA 1.638 57.395 55.803 -0.076 0.000 0.859 220 Q CB -0.289 28.451 28.738 0.003 0.000 0.920 220 Q HN 0.395 nan 8.270 nan 0.000 0.415 221 F N 0.098 119.953 119.950 -0.159 0.000 2.293 221 F HA -0.050 2.429 4.527 -3.414 0.000 0.297 221 F C 2.070 177.731 175.800 -0.233 0.000 1.089 221 F CA 0.557 58.431 58.000 -0.209 0.000 1.377 221 F CB 0.037 38.860 39.000 -0.294 0.000 1.051 221 F HN 0.069 nan 8.300 nan 0.000 0.511 222 L N -0.405 120.699 121.223 -0.199 0.000 2.079 222 L HA -0.268 2.025 4.340 -3.413 0.000 0.210 222 L C 2.357 178.854 176.870 -0.622 0.000 1.081 222 L CA 1.373 55.952 54.840 -0.436 0.000 0.752 222 L CB -0.728 40.969 42.059 -0.603 0.000 0.896 222 L HN 0.215 nan 8.230 nan 0.000 0.433 223 Q N -0.053 119.358 119.800 -0.648 0.000 2.084 223 Q HA -0.217 2.075 4.340 -3.413 0.000 0.202 223 Q C 2.240 178.129 176.000 -0.186 0.000 0.978 223 Q CA 1.443 57.007 55.803 -0.399 0.000 0.844 223 Q CB -0.030 28.582 28.738 -0.210 0.000 0.898 223 Q HN 0.480 nan 8.270 nan 0.000 0.426 224 K N 0.456 120.762 120.400 -0.157 0.000 2.026 224 K HA -0.118 2.155 4.320 -3.413 0.000 0.208 224 K C 2.037 178.644 176.600 0.011 0.000 1.048 224 K CA 1.163 57.434 56.287 -0.027 0.000 0.929 224 K CB -0.144 32.401 32.500 0.075 0.000 0.713 224 K HN 0.180 nan 8.250 nan 0.000 0.439 225 I N 1.195 121.791 120.570 0.043 0.000 2.286 225 I HA -0.259 1.864 4.170 -3.413 0.000 0.248 225 I C 2.485 178.530 176.117 -0.119 0.000 1.115 225 I CA 0.921 62.227 61.300 0.010 0.000 1.392 225 I CB -0.349 37.685 38.000 0.057 0.000 1.065 225 I HN 0.155 nan 8.210 nan 0.000 0.418 226 A N 0.771 123.523 122.820 -0.113 0.000 1.933 226 A HA -0.167 2.105 4.320 -3.413 0.000 0.218 226 A C 2.556 180.076 177.584 -0.108 0.000 1.175 226 A CA 1.788 53.779 52.037 -0.076 0.000 0.628 226 A CB -0.748 18.254 19.000 0.003 0.000 0.814 226 A HN 0.429 nan 8.150 nan 0.000 0.444 227 A N -0.156 122.586 122.820 -0.131 0.000 1.902 227 A HA -0.054 2.218 4.320 -3.413 0.000 0.217 227 A C 2.163 179.562 177.584 -0.308 0.000 1.181 227 A CA 1.515 53.460 52.037 -0.153 0.000 0.623 227 A CB -0.581 18.349 19.000 -0.117 0.000 0.818 227 A HN 0.483 nan 8.150 nan 0.000 0.443 228 L N -0.861 120.061 121.223 -0.501 0.000 2.056 228 L HA -0.180 2.112 4.340 -3.413 0.000 0.207 228 L C 3.116 179.375 176.870 -1.018 0.000 1.078 228 L CA 1.036 55.303 54.840 -0.956 0.000 0.749 228 L CB -0.637 40.763 42.059 -1.099 0.000 0.901 228 L HN 0.431 nan 8.230 nan 0.000 0.433 229 A N 0.058 122.570 122.820 -0.514 0.000 1.908 229 A HA -0.250 2.022 4.320 -3.413 0.000 0.218 229 A C 1.909 179.434 177.584 -0.099 0.000 1.181 229 A CA 2.098 54.003 52.037 -0.220 0.000 0.627 229 A CB -0.551 18.421 19.000 -0.047 0.000 0.818 229 A HN 0.381 nan 8.150 nan 0.000 0.445 230 D N 0.120 120.456 120.400 -0.106 0.000 2.117 230 D HA -0.071 2.521 4.640 -3.413 0.000 0.197 230 D C 2.213 178.539 176.300 0.043 0.000 0.987 230 D CA 1.578 55.572 54.000 -0.010 0.000 0.829 230 D CB -0.501 40.293 40.800 -0.010 0.000 0.961 230 D HN 0.445 nan 8.370 nan 0.000 0.460 231 A N 0.376 123.178 122.820 -0.030 0.000 1.933 231 A HA -0.141 2.132 4.320 -3.413 0.000 0.218 231 A C 1.826 179.669 177.584 0.432 0.000 1.175 231 A CA 0.942 53.068 52.037 0.148 0.000 0.628 231 A CB -0.645 18.417 19.000 0.102 0.000 0.814 231 A HN 0.112 nan 8.150 nan 0.000 0.444 232 F N -0.493 119.596 119.950 0.232 0.000 2.416 232 F HA 0.124 2.611 4.527 -3.400 0.000 0.296 232 F C 2.189 178.169 175.800 0.300 0.000 1.099 232 F CA 0.393 58.572 58.000 0.298 0.000 1.427 232 F CB -0.970 38.173 39.000 0.239 0.000 1.079 232 F HN 0.239 nan 8.300 nan 0.000 0.536 233 R N 1.074 121.801 120.500 0.378 0.000 2.096 233 R HA -0.161 2.131 4.340 -3.413 0.000 0.240 233 R C -0.658 175.755 176.300 0.190 0.000 1.139 233 R CA 1.975 58.223 56.100 0.247 0.000 0.952 233 R CB -1.478 28.917 30.300 0.158 0.000 0.854 233 R HN 0.117 nan 8.270 nan 0.000 0.436 234 P HA -0.142 nan 4.420 nan 0.000 0.222 234 P C 0.181 177.369 177.300 -0.187 0.000 1.147 234 P CA 1.352 64.416 63.100 -0.059 0.000 0.790 234 P CB -0.085 31.523 31.700 -0.154 0.000 0.780 235 Y N -0.745 119.668 120.300 0.188 0.000 2.461 235 Y HA 0.366 2.869 4.550 -3.412 0.000 0.277 235 Y C 1.901 177.920 175.900 0.198 0.000 1.182 235 Y CA 0.562 58.783 58.100 0.201 0.000 1.276 235 Y CB -0.487 38.113 38.460 0.233 0.000 1.087 235 Y HN 0.047 nan 8.280 nan 0.000 0.519 236 G N 0.828 109.782 108.800 0.256 0.000 2.148 236 G HA2 -0.305 1.607 3.960 -3.413 0.000 0.254 236 G HA3 -0.305 1.607 3.960 -3.413 0.000 0.254 236 G C 0.021 175.106 174.900 0.309 0.000 0.981 236 G CA 0.067 45.309 45.100 0.238 0.000 0.670 236 G HN 0.334 nan 8.290 nan 0.000 0.528 237 I N 1.227 121.997 120.570 0.334 0.000 2.307 237 I HA 0.294 2.416 4.170 -3.413 0.000 0.289 237 I C 0.700 177.021 176.117 0.341 0.000 1.021 237 I CA -0.542 60.955 61.300 0.327 0.000 1.224 237 I CB 1.059 39.210 38.000 0.252 0.000 1.376 237 I HN -0.051 nan 8.210 nan 0.000 0.470 238 K N 5.425 126.015 120.400 0.317 0.000 2.185 238 K HA 0.410 2.682 4.320 -3.413 0.000 0.271 238 K C -0.318 176.390 176.600 0.181 0.000 1.013 238 K CA -0.793 55.605 56.287 0.185 0.000 0.943 238 K CB 1.202 33.741 32.500 0.066 0.000 0.998 238 K HN 0.369 nan 8.250 nan 0.000 0.468 239 M N 2.859 122.446 119.600 -0.021 0.000 2.233 239 M HA 0.261 2.693 4.480 -3.413 0.000 0.355 239 M C -1.673 174.336 176.300 -0.485 0.000 1.191 239 M CA 0.148 55.452 55.300 0.006 0.000 1.101 239 M CB 0.388 33.047 32.600 0.099 0.000 1.592 239 M HN 0.402 nan 8.290 nan 0.000 0.461 240 Y N 4.188 124.422 120.300 -0.111 0.000 2.576 240 Y HA 0.749 3.261 4.550 -3.398 0.000 0.346 240 Y C -1.135 174.836 175.900 0.117 0.000 1.018 240 Y CA -0.937 57.038 58.100 -0.207 0.000 1.050 240 Y CB 1.643 40.093 38.460 -0.016 0.000 1.280 240 Y HN 0.582 nan 8.280 nan 0.000 0.474 241 L N 1.157 122.649 121.223 0.447 0.000 2.381 241 L HA 0.554 2.846 4.340 -3.413 0.000 0.268 241 L C -0.476 176.614 176.870 0.367 0.000 0.997 241 L CA -0.905 54.195 54.840 0.434 0.000 0.818 241 L CB 2.261 44.606 42.059 0.477 0.000 1.310 241 L HN 0.553 nan 8.230 nan 0.000 0.416 242 S N 2.741 118.591 115.700 0.251 0.000 2.549 242 S HA 0.498 2.921 4.470 -3.413 0.000 0.279 242 S C -0.259 174.391 174.600 0.083 0.000 1.321 242 S CA -0.427 57.870 58.200 0.162 0.000 1.054 242 S CB 0.597 63.873 63.200 0.126 0.000 0.899 242 S HN 0.412 nan 8.310 nan 0.000 0.497 243 I N 0.588 121.162 120.570 0.006 0.000 2.693 243 I HA 0.617 2.739 4.170 -3.413 0.000 0.303 243 I C -0.414 175.728 176.117 0.041 0.000 1.025 243 I CA -0.957 60.325 61.300 -0.030 0.000 1.086 243 I CB 1.545 39.388 38.000 -0.261 0.000 1.268 243 I HN 0.475 nan 8.210 nan 0.000 0.440 244 N N 2.912 121.680 118.700 0.113 0.000 2.422 244 N HA 0.285 2.978 4.740 -3.413 0.000 0.266 244 N C 0.206 175.867 175.510 0.251 0.000 1.007 244 N CA -0.512 52.622 53.050 0.139 0.000 0.941 244 N CB 0.619 39.161 38.487 0.092 0.000 1.115 244 N HN 0.703 nan 8.380 nan 0.000 0.492 245 F N 3.368 123.385 119.950 0.111 0.000 2.216 245 F HA -0.018 2.460 4.527 -3.414 0.000 0.300 245 F C 1.355 177.296 175.800 0.236 0.000 1.085 245 F CA 1.169 59.273 58.000 0.174 0.000 1.326 245 F CB 0.140 39.210 39.000 0.117 0.000 1.027 245 F HN 0.586 nan 8.300 nan 0.000 0.497 246 N N -0.177 118.659 118.700 0.228 0.000 2.434 246 N HA -0.031 2.662 4.740 -3.413 0.000 0.196 246 N C 1.673 177.120 175.510 -0.105 0.000 1.183 246 N CA 0.538 53.634 53.050 0.078 0.000 0.849 246 N CB -0.244 38.327 38.487 0.140 0.000 0.992 246 N HN 0.138 nan 8.380 nan 0.000 0.460 247 S N 1.168 116.784 115.700 -0.140 0.000 2.374 247 S HA -0.108 2.315 4.470 -3.413 0.000 0.227 247 S C -0.691 173.401 174.600 -0.847 0.000 1.037 247 S CA 1.158 59.169 58.200 -0.315 0.000 1.024 247 S CB -0.851 62.186 63.200 -0.270 0.000 0.861 247 S HN 0.391 nan 8.310 nan 0.000 0.456 248 P HA -0.081 nan 4.420 nan 0.000 0.216 248 P C 1.279 178.154 177.300 -0.708 0.000 1.150 248 P CA 1.183 63.228 63.100 -1.758 0.000 0.837 248 P CB -0.013 30.884 31.700 -1.339 0.000 0.786 249 R N -0.482 119.773 120.500 -0.408 0.000 2.073 249 R HA 0.052 2.345 4.340 -3.413 0.000 0.229 249 R C 2.353 178.582 176.300 -0.117 0.000 1.120 249 R CA 1.374 57.364 56.100 -0.184 0.000 0.967 249 R CB -1.082 29.166 30.300 -0.087 0.000 0.862 249 R HN 0.120 nan 8.270 nan 0.000 0.436 250 A N 0.588 123.339 122.820 -0.114 0.000 1.972 250 A HA -0.122 2.151 4.320 -3.413 0.000 0.219 250 A C 1.689 179.190 177.584 -0.137 0.000 1.169 250 A CA 1.126 53.097 52.037 -0.109 0.000 0.635 250 A CB -0.489 18.441 19.000 -0.117 0.000 0.810 250 A HN 0.220 nan 8.150 nan 0.000 0.446 251 F N -0.496 119.364 119.950 -0.151 0.000 2.748 251 F HA 0.259 2.737 4.527 -3.414 0.000 0.299 251 F C 1.931 177.711 175.800 -0.032 0.000 1.154 251 F CA 0.826 58.799 58.000 -0.045 0.000 1.446 251 F CB -0.072 38.982 39.000 0.090 0.000 1.112 251 F HN 0.383 nan 8.300 nan 0.000 0.584 252 G N 0.071 108.906 108.800 0.058 0.000 2.143 252 G HA2 -0.291 1.622 3.960 -3.413 0.000 0.248 252 G HA3 -0.291 1.622 3.960 -3.413 0.000 0.248 252 G C 0.818 175.743 174.900 0.042 0.000 0.991 252 G CA 0.597 45.713 45.100 0.026 0.000 0.689 252 G HN 0.334 nan 8.290 nan 0.000 0.522 253 D N -0.893 119.533 120.400 0.044 0.000 2.277 253 D HA 0.229 2.821 4.640 -3.413 0.000 0.209 253 D C 1.110 177.408 176.300 -0.003 0.000 0.970 253 D CA 1.144 55.187 54.000 0.072 0.000 0.874 253 D CB 0.717 41.667 40.800 0.250 0.000 0.982 253 D HN 0.401 nan 8.370 nan 0.000 0.504 254 V N 1.938 121.786 119.914 -0.109 0.000 2.841 254 V HA 0.110 2.182 4.120 -3.413 0.000 0.310 254 V C -0.012 176.024 176.094 -0.096 0.000 1.090 254 V CA -0.853 61.384 62.300 -0.106 0.000 0.930 254 V CB 2.391 34.114 31.823 -0.167 0.000 1.014 254 V HN -0.068 nan 8.190 nan 0.000 0.425 255 D N 0.519 120.890 120.400 -0.048 0.000 2.324 255 D HA 0.088 2.680 4.640 -3.413 0.000 0.235 255 D C 0.448 176.746 176.300 -0.003 0.000 1.095 255 D CA 0.358 54.346 54.000 -0.021 0.000 0.871 255 D CB 0.658 41.459 40.800 0.001 0.000 0.906 255 D HN 0.554 nan 8.370 nan 0.000 0.522 256 T N -2.209 112.314 114.554 -0.051 0.000 2.821 256 T HA 0.604 2.907 4.350 -3.413 0.000 0.306 256 T C -1.093 173.454 174.700 -0.254 0.000 1.313 256 T CA -0.180 61.884 62.100 -0.060 0.000 1.012 256 T CB 1.419 70.266 68.868 -0.035 0.000 1.298 256 T HN -0.100 nan 8.240 nan 0.000 0.502 257 A N 1.562 124.034 122.820 -0.580 0.000 2.571 257 A HA 0.397 2.669 4.320 -3.413 0.000 0.274 257 A C 0.277 177.404 177.584 -0.762 0.000 1.196 257 A CA -0.054 51.605 52.037 -0.630 0.000 0.957 257 A CB -0.148 18.619 19.000 -0.389 0.000 1.150 257 A HN 0.758 nan 8.150 nan 0.000 0.539 258 D N 1.713 121.590 120.400 -0.872 0.000 2.502 258 D HA 0.026 2.619 4.640 -3.413 0.000 0.249 258 D C -1.181 175.076 176.300 -0.072 0.000 1.188 258 D CA -1.326 52.458 54.000 -0.361 0.000 0.890 258 D CB 1.061 41.796 40.800 -0.109 0.000 1.140 258 D HN 0.161 nan 8.370 nan 0.000 0.505 259 P HA -0.098 nan 4.420 nan 0.000 0.226 259 P C 1.333 178.683 177.300 0.084 0.000 1.153 259 P CA 0.688 63.869 63.100 0.135 0.000 0.777 259 P CB 0.240 32.101 31.700 0.268 0.000 0.794 260 L N -0.955 120.308 121.223 0.067 0.000 2.558 260 L HA 0.140 2.432 4.340 -3.413 0.000 0.225 260 L C 1.142 178.036 176.870 0.040 0.000 1.128 260 L CA 0.198 55.068 54.840 0.049 0.000 0.868 260 L CB -0.527 41.558 42.059 0.045 0.000 1.006 260 L HN -0.026 nan 8.230 nan 0.000 0.454 261 D N 1.290 121.709 120.400 0.031 0.000 2.317 261 D HA 0.084 2.676 4.640 -3.413 0.000 0.252 261 D C -1.697 174.628 176.300 0.041 0.000 1.174 261 D CA -1.705 52.310 54.000 0.025 0.000 0.866 261 D CB 2.095 42.895 40.800 -0.000 0.000 1.127 261 D HN -0.106 nan 8.370 nan 0.000 0.467 262 P HA -0.090 nan 4.420 nan 0.000 0.219 262 P C 1.100 178.439 177.300 0.065 0.000 1.146 262 P CA 1.036 64.168 63.100 0.052 0.000 0.808 262 P CB 0.279 32.002 31.700 0.039 0.000 0.779 263 R N -0.804 119.728 120.500 0.053 0.000 2.115 263 R HA -0.043 2.249 4.340 -3.413 0.000 0.230 263 R C 2.051 178.411 176.300 0.101 0.000 1.111 263 R CA 1.001 57.139 56.100 0.064 0.000 0.976 263 R CB -1.051 29.272 30.300 0.037 0.000 0.870 263 R HN 0.126 nan 8.270 nan 0.000 0.445 264 V N 1.103 121.067 119.914 0.083 0.000 2.323 264 V HA -0.221 1.851 4.120 -3.413 0.000 0.244 264 V C 2.201 178.470 176.094 0.292 0.000 1.041 264 V CA 1.626 64.002 62.300 0.126 0.000 1.025 264 V CB -0.464 31.380 31.823 0.034 0.000 0.656 264 V HN 0.312 nan 8.190 nan 0.000 0.451 265 Q N -0.412 119.515 119.800 0.211 0.000 2.096 265 Q HA -0.318 1.974 4.340 -3.413 0.000 0.204 265 Q C 2.364 178.507 176.000 0.238 0.000 0.982 265 Q CA 2.122 58.060 55.803 0.226 0.000 0.850 265 Q CB -0.236 28.584 28.738 0.136 0.000 0.901 265 Q HN 0.541 nan 8.270 nan 0.000 0.422 266 Q N -0.103 119.801 119.800 0.172 0.000 2.119 266 Q HA -0.183 2.109 4.340 -3.413 0.000 0.201 266 Q C 1.437 177.504 176.000 0.113 0.000 0.972 266 Q CA 1.529 57.406 55.803 0.124 0.000 0.847 266 Q CB -0.459 28.327 28.738 0.080 0.000 0.903 266 Q HN 0.507 nan 8.270 nan 0.000 0.433 267 W N -0.689 120.583 121.300 -0.047 0.000 2.335 267 W HA -0.201 2.411 4.660 -3.415 0.000 0.311 267 W C 1.317 177.704 176.519 -0.220 0.000 1.213 267 W CA 1.893 59.118 57.345 -0.201 0.000 1.274 267 W CB -0.556 28.700 29.460 -0.340 0.000 1.148 267 W HN 0.237 nan 8.180 nan 0.000 0.498 268 W N 0.606 122.061 121.300 0.259 0.000 2.388 268 W HA -0.099 2.514 4.660 -3.413 0.000 0.294 268 W C 2.616 179.162 176.519 0.045 0.000 1.212 268 W CA 1.767 59.219 57.345 0.179 0.000 1.271 268 W CB -0.745 28.874 29.460 0.266 0.000 1.126 268 W HN -0.189 nan 8.180 nan 0.000 0.535 269 K N -0.117 120.438 120.400 0.259 0.000 2.032 269 K HA -0.179 2.093 4.320 -3.413 0.000 0.209 269 K C 1.808 178.441 176.600 0.055 0.000 1.048 269 K CA 2.109 58.499 56.287 0.171 0.000 0.927 269 K CB -0.503 32.078 32.500 0.135 0.000 0.712 269 K HN -0.039 nan 8.250 nan 0.000 0.441 270 T N 0.549 115.051 114.554 -0.087 0.000 2.821 270 T HA -0.106 2.196 4.350 -3.413 0.000 0.267 270 T C 1.820 176.334 174.700 -0.309 0.000 1.046 270 T CA 1.357 63.340 62.100 -0.195 0.000 1.139 270 T CB -0.203 68.493 68.868 -0.286 0.000 0.871 270 T HN 0.214 nan 8.240 nan 0.000 0.454 271 R N 1.664 121.869 120.500 -0.491 0.000 2.081 271 R HA 0.128 2.421 4.340 -3.413 0.000 0.235 271 R C 2.389 178.555 176.300 -0.224 0.000 1.131 271 R CA 1.604 57.370 56.100 -0.556 0.000 0.960 271 R CB -1.020 28.727 30.300 -0.921 0.000 0.856 271 R HN 0.349 nan 8.270 nan 0.000 0.436 272 A N 0.254 123.053 122.820 -0.035 0.000 1.902 272 A HA -0.225 2.047 4.320 -3.413 0.000 0.217 272 A C 2.069 179.495 177.584 -0.264 0.000 1.181 272 A CA 1.673 53.698 52.037 -0.020 0.000 0.623 272 A CB -0.526 18.568 19.000 0.156 0.000 0.818 272 A HN 0.524 nan 8.150 nan 0.000 0.443 273 Q N -0.632 119.064 119.800 -0.173 0.000 2.096 273 Q HA -0.202 2.091 4.340 -3.413 0.000 0.204 273 Q C 2.201 178.087 176.000 -0.189 0.000 0.982 273 Q CA 1.815 57.519 55.803 -0.165 0.000 0.850 273 Q CB -0.200 28.562 28.738 0.040 0.000 0.901 273 Q HN 0.733 nan 8.270 nan 0.000 0.422 274 K N 0.966 121.257 120.400 -0.182 0.000 2.025 274 K HA -0.152 2.120 4.320 -3.413 0.000 0.207 274 K C 1.978 178.518 176.600 -0.100 0.000 1.049 274 K CA 1.109 57.313 56.287 -0.139 0.000 0.933 274 K CB -0.080 32.335 32.500 -0.142 0.000 0.714 274 K HN 0.135 nan 8.250 nan 0.000 0.438 275 I N 0.221 120.657 120.570 -0.223 0.000 2.163 275 I HA -0.311 1.812 4.170 -3.413 0.000 0.243 275 I C 1.928 177.777 176.117 -0.447 0.000 1.085 275 I CA 1.519 62.579 61.300 -0.400 0.000 1.347 275 I CB -0.340 37.206 38.000 -0.757 0.000 1.044 275 I HN 0.201 nan 8.210 nan 0.000 0.408 276 Y N 0.762 120.793 120.300 -0.448 0.000 2.439 276 Y HA -0.191 2.311 4.550 -3.413 0.000 0.292 276 Y C 2.909 178.685 175.900 -0.207 0.000 1.130 276 Y CA 1.310 59.185 58.100 -0.375 0.000 1.254 276 Y CB -0.413 37.610 38.460 -0.729 0.000 1.000 276 Y HN 0.266 nan 8.280 nan 0.000 0.554 277 S N -1.196 114.431 115.700 -0.122 0.000 2.402 277 S HA -0.220 2.202 4.470 -3.413 0.000 0.229 277 S C 1.613 176.067 174.600 -0.244 0.000 1.021 277 S CA 1.193 59.287 58.200 -0.177 0.000 0.974 277 S CB -0.767 62.273 63.200 -0.268 0.000 0.800 277 S HN 0.457 nan 8.310 nan 0.000 0.484 278 Y N 1.225 121.450 120.300 -0.126 0.000 2.347 278 Y HA 0.463 2.966 4.550 -3.413 0.000 0.294 278 Y C 0.976 176.815 175.900 -0.101 0.000 1.117 278 Y CA 0.092 58.125 58.100 -0.112 0.000 1.184 278 Y CB 0.233 38.608 38.460 -0.142 0.000 1.047 278 Y HN 0.228 nan 8.280 nan 0.000 0.546 279 I N 0.951 121.523 120.570 0.002 0.000 2.698 279 I HA 0.210 2.332 4.170 -3.413 0.000 0.276 279 I C -2.212 173.888 176.117 -0.029 0.000 1.166 279 I CA -1.629 59.659 61.300 -0.020 0.000 1.101 279 I CB 1.802 39.783 38.000 -0.032 0.000 1.305 279 I HN -0.139 nan 8.210 nan 0.000 0.526 280 P HA -0.129 nan 4.420 nan 0.000 0.225 280 P C 0.486 177.981 177.300 0.325 0.000 1.148 280 P CA 1.214 64.440 63.100 0.210 0.000 0.779 280 P CB 0.008 31.794 31.700 0.144 0.000 0.780 281 D N -2.038 118.493 120.400 0.217 0.000 2.501 281 D HA 0.009 2.601 4.640 -3.413 0.000 0.226 281 D C 0.018 176.414 176.300 0.160 0.000 1.198 281 D CA -1.076 53.059 54.000 0.224 0.000 0.830 281 D CB -1.221 39.670 40.800 0.151 0.000 1.014 281 D HN 0.022 nan 8.370 nan 0.000 0.496 282 F N 1.596 121.456 119.950 -0.149 0.000 2.629 282 F HA 0.329 2.812 4.527 -3.407 0.000 0.377 282 F C 1.646 177.274 175.800 -0.285 0.000 1.101 282 F CA 0.743 58.505 58.000 -0.397 0.000 1.301 282 F CB 1.200 39.651 39.000 -0.915 0.000 1.062 282 F HN 0.035 nan 8.300 nan 0.000 0.583 283 G N 3.051 111.175 108.800 -1.126 0.000 2.408 283 G HA2 0.385 2.297 3.960 -3.413 0.000 0.215 283 G HA3 0.385 2.297 3.960 -3.413 0.000 0.215 283 G C 0.632 174.949 174.900 -0.971 0.000 1.156 283 G CA 0.590 44.923 45.100 -1.279 0.000 0.793 283 G HN 1.420 nan 8.290 nan 0.000 0.535 284 G N -1.362 106.688 108.800 -1.250 0.000 2.278 284 G HA2 0.273 2.186 3.960 -3.413 0.000 0.265 284 G HA3 0.273 2.186 3.960 -3.413 0.000 0.265 284 G C -1.454 173.353 174.900 -0.156 0.000 1.329 284 G CA -0.858 43.910 45.100 -0.554 0.000 1.017 284 G HN 0.230 nan 8.290 nan 0.000 0.472 285 F N -0.126 119.842 119.950 0.029 0.000 2.508 285 F HA 0.824 3.301 4.527 -3.417 0.000 0.325 285 F C 0.183 176.031 175.800 0.080 0.000 1.090 285 F CA -1.355 56.719 58.000 0.125 0.000 0.945 285 F CB 1.825 40.915 39.000 0.149 0.000 1.156 285 F HN 0.495 nan 8.300 nan 0.000 0.463 286 L N 2.942 124.386 121.223 0.369 0.000 2.317 286 L HA 0.834 3.126 4.340 -3.413 0.000 0.281 286 L C -1.105 175.839 176.870 0.124 0.000 1.024 286 L CA -0.583 54.426 54.840 0.282 0.000 0.810 286 L CB 1.621 43.848 42.059 0.280 0.000 1.240 286 L HN 0.331 nan 8.230 nan 0.000 0.427 287 V N 4.751 124.649 119.914 -0.027 0.000 2.482 287 V HA 0.411 2.484 4.120 -3.413 0.000 0.295 287 V C -0.448 175.388 176.094 -0.430 0.000 1.026 287 V CA -0.849 61.283 62.300 -0.280 0.000 0.856 287 V CB 1.366 32.845 31.823 -0.572 0.000 1.001 287 V HN 0.743 nan 8.190 nan 0.000 0.424 288 K N 3.831 124.071 120.400 -0.268 0.000 2.281 288 K HA 0.805 3.078 4.320 -3.413 0.000 0.272 288 K C -0.463 176.000 176.600 -0.228 0.000 1.048 288 K CA -0.187 55.974 56.287 -0.210 0.000 0.898 288 K CB 1.175 33.621 32.500 -0.089 0.000 1.128 288 K HN 0.887 nan 8.250 nan 0.000 0.460 289 A N 3.915 126.561 122.820 -0.290 0.000 2.449 289 A HA 0.406 2.678 4.320 -3.413 0.000 0.302 289 A C -0.821 176.786 177.584 0.038 0.000 1.048 289 A CA -0.586 51.320 52.037 -0.218 0.000 0.708 289 A CB 0.857 19.530 19.000 -0.544 0.000 1.274 289 A HN 0.914 nan 8.150 nan 0.000 0.410 290 D N 0.137 120.580 120.400 0.071 0.000 2.708 290 D HA -0.132 2.461 4.640 -3.413 0.000 0.236 290 D C -0.092 176.240 176.300 0.052 0.000 1.146 290 D CA 1.973 56.055 54.000 0.137 0.000 0.662 290 D CB -0.967 40.031 40.800 0.329 0.000 1.059 290 D HN 0.702 nan 8.370 nan 0.000 0.428 291 S N -0.650 115.041 115.700 -0.014 0.000 2.614 291 S HA 0.347 2.769 4.470 -3.413 0.000 0.275 291 S C -0.025 174.533 174.600 -0.070 0.000 1.161 291 S CA -0.416 57.713 58.200 -0.118 0.000 0.969 291 S CB 1.227 64.384 63.200 -0.072 0.000 1.059 291 S HN 0.182 nan 8.310 nan 0.000 0.482 292 E N 2.678 122.800 120.200 -0.130 0.000 2.440 292 E HA -0.253 2.050 4.350 -3.413 0.000 0.246 292 E C 0.862 177.492 176.600 0.052 0.000 1.165 292 E CA 0.767 57.194 56.400 0.044 0.000 0.726 292 E CB -1.805 28.036 29.700 0.234 0.000 1.271 292 E HN 1.565 nan 8.360 nan 0.000 0.397 293 G N -0.646 108.148 108.800 -0.011 0.000 2.179 293 G HA2 -0.339 1.574 3.960 -3.413 0.000 0.260 293 G HA3 -0.339 1.574 3.960 -3.413 0.000 0.260 293 G C 0.184 175.094 174.900 0.016 0.000 0.977 293 G CA 0.427 45.527 45.100 0.000 0.000 0.641 293 G HN 0.214 nan 8.290 nan 0.000 0.533 294 Q N 1.162 120.974 119.800 0.020 0.000 2.327 294 Q HA 0.388 2.680 4.340 -3.413 0.000 0.254 294 Q C -1.982 174.042 176.000 0.041 0.000 0.952 294 Q CA -1.496 54.324 55.803 0.028 0.000 0.884 294 Q CB 1.085 29.831 28.738 0.012 0.000 1.224 294 Q HN 0.350 nan 8.270 nan 0.000 0.422 295 P HA 0.376 nan 4.420 nan 0.000 0.272 295 P C -0.312 177.071 177.300 0.139 0.000 1.240 295 P CA -0.098 63.086 63.100 0.138 0.000 0.791 295 P CB 0.847 32.681 31.700 0.224 0.000 0.978 296 G N -0.340 108.538 108.800 0.131 0.000 2.441 296 G HA2 0.360 2.272 3.960 -3.413 0.000 0.294 296 G HA3 0.360 2.272 3.960 -3.413 0.000 0.294 296 G C -2.677 172.090 174.900 -0.222 0.000 1.393 296 G CA -0.775 44.180 45.100 -0.241 0.000 0.796 296 G HN 0.092 nan 8.290 nan 0.000 0.494 297 P HA -0.113 nan 4.420 nan 0.000 0.216 297 P C 1.504 178.891 177.300 0.145 0.000 1.150 297 P CA 1.324 64.377 63.100 -0.079 0.000 0.837 297 P CB 0.183 31.804 31.700 -0.131 0.000 0.786 298 Q N -0.683 119.187 119.800 0.117 0.000 2.226 298 Q HA -0.062 2.230 4.340 -3.413 0.000 0.204 298 Q C 2.382 178.365 176.000 -0.028 0.000 0.975 298 Q CA 1.374 57.214 55.803 0.062 0.000 0.866 298 Q CB -0.972 27.801 28.738 0.059 0.000 0.915 298 Q HN 0.292 nan 8.270 nan 0.000 0.440 299 G N -0.323 108.429 108.800 -0.079 0.000 2.498 299 G HA2 -0.212 1.701 3.960 -3.413 0.000 0.219 299 G HA3 -0.212 1.701 3.960 -3.413 0.000 0.219 299 G C 0.491 175.010 174.900 -0.634 0.000 1.119 299 G CA 0.548 45.445 45.100 -0.338 0.000 0.766 299 G HN 0.363 nan 8.290 nan 0.000 0.552 300 Y N -0.510 119.828 120.300 0.064 0.000 2.636 300 Y HA 0.399 2.901 4.550 -3.414 0.000 0.260 300 Y C 1.778 177.702 175.900 0.040 0.000 1.177 300 Y CA -0.630 57.510 58.100 0.068 0.000 1.209 300 Y CB 0.417 38.951 38.460 0.123 0.000 1.166 300 Y HN 0.168 nan 8.280 nan 0.000 0.531 301 G N 0.851 109.690 108.800 0.066 0.000 2.179 301 G HA2 -0.260 1.653 3.960 -3.413 0.000 0.257 301 G HA3 -0.260 1.653 3.960 -3.413 0.000 0.257 301 G C 0.208 175.140 174.900 0.053 0.000 1.010 301 G CA -0.143 44.978 45.100 0.035 0.000 0.736 301 G HN 0.118 nan 8.290 nan 0.000 0.513 302 R N 0.252 120.808 120.500 0.093 0.000 2.782 302 R HA 0.618 2.911 4.340 -3.413 0.000 0.258 302 R C 0.162 176.491 176.300 0.048 0.000 1.055 302 R CA -0.365 55.778 56.100 0.071 0.000 1.065 302 R CB 0.762 31.132 30.300 0.115 0.000 1.172 302 R HN 0.484 nan 8.270 nan 0.000 0.510 303 D N -1.898 118.504 120.400 0.003 0.000 2.387 303 D HA 0.142 2.735 4.640 -3.413 0.000 0.255 303 D C 0.636 176.948 176.300 0.020 0.000 1.081 303 D CA -0.365 53.626 54.000 -0.014 0.000 0.994 303 D CB 0.551 41.289 40.800 -0.103 0.000 1.127 303 D HN 0.466 nan 8.370 nan 0.000 0.513 304 H N -0.633 118.326 119.070 -0.185 0.000 2.524 304 H HA 0.032 2.540 4.556 -3.414 0.000 0.282 304 H C 1.642 176.703 175.328 -0.444 0.000 1.016 304 H CA 0.582 56.493 56.048 -0.227 0.000 1.270 304 H CB 0.440 30.221 29.762 0.032 0.000 1.394 304 H HN 0.563 nan 8.280 nan 0.000 0.568 305 A N 1.195 123.794 122.820 -0.369 0.000 1.897 305 A HA -0.146 2.126 4.320 -3.413 0.000 0.215 305 A C 2.107 179.488 177.584 -0.338 0.000 1.181 305 A CA 1.151 52.811 52.037 -0.629 0.000 0.620 305 A CB -0.203 18.236 19.000 -0.935 0.000 0.821 305 A HN 0.411 nan 8.150 nan 0.000 0.443 306 E N -0.456 119.607 120.200 -0.228 0.000 2.085 306 E HA -0.144 2.158 4.350 -3.413 0.000 0.194 306 E C 2.084 178.646 176.600 -0.064 0.000 0.994 306 E CA 0.906 57.240 56.400 -0.111 0.000 0.801 306 E CB -0.345 29.324 29.700 -0.051 0.000 0.743 306 E HN 0.611 nan 8.360 nan 0.000 0.453 307 G N 1.123 109.843 108.800 -0.133 0.000 2.414 307 G HA2 -0.212 1.701 3.960 -3.413 0.000 0.215 307 G HA3 -0.212 1.701 3.960 -3.413 0.000 0.215 307 G C 1.710 176.559 174.900 -0.084 0.000 1.188 307 G CA 0.814 45.902 45.100 -0.021 0.000 0.783 307 G HN 0.348 nan 8.290 nan 0.000 0.537 308 A N 1.411 123.866 122.820 -0.609 0.000 1.877 308 A HA -0.110 2.162 4.320 -3.413 0.000 0.216 308 A C 2.257 179.829 177.584 -0.021 0.000 1.186 308 A CA 2.006 53.830 52.037 -0.355 0.000 0.620 308 A CB -0.512 18.185 19.000 -0.505 0.000 0.822 308 A HN 0.345 nan 8.150 nan 0.000 0.443 309 N N -0.596 118.077 118.700 -0.045 0.000 2.223 309 N HA -0.124 2.568 4.740 -3.413 0.000 0.185 309 N C 1.647 177.174 175.510 0.028 0.000 1.016 309 N CA 1.356 54.410 53.050 0.006 0.000 0.863 309 N CB -0.464 38.005 38.487 -0.031 0.000 0.983 309 N HN 0.515 nan 8.380 nan 0.000 0.429 310 M N 0.801 120.421 119.600 0.032 0.000 2.067 310 M HA -0.069 2.363 4.480 -3.413 0.000 0.260 310 M C 1.718 178.042 176.300 0.040 0.000 1.069 310 M CA 1.279 56.608 55.300 0.049 0.000 1.117 310 M CB -0.554 32.084 32.600 0.065 0.000 1.334 310 M HN 0.062 nan 8.290 nan 0.000 0.407 311 L N 0.280 121.511 121.223 0.013 0.000 2.046 311 L HA -0.170 2.122 4.340 -3.413 0.000 0.208 311 L C 2.739 179.677 176.870 0.113 0.000 1.077 311 L CA 1.291 56.151 54.840 0.033 0.000 0.747 311 L CB -1.213 40.907 42.059 0.101 0.000 0.896 311 L HN 0.365 nan 8.230 nan 0.000 0.432 312 A N 0.138 123.015 122.820 0.096 0.000 1.933 312 A HA -0.159 2.113 4.320 -3.413 0.000 0.218 312 A C 2.533 180.155 177.584 0.063 0.000 1.175 312 A CA 1.724 53.802 52.037 0.068 0.000 0.628 312 A CB -0.632 18.406 19.000 0.063 0.000 0.814 312 A HN 0.413 nan 8.150 nan 0.000 0.444 313 A N -0.259 122.603 122.820 0.069 0.000 1.969 313 A HA 0.213 2.485 4.320 -3.413 0.000 0.218 313 A C 2.449 180.089 177.584 0.093 0.000 1.169 313 A CA 1.829 53.905 52.037 0.065 0.000 0.635 313 A CB -0.844 18.193 19.000 0.061 0.000 0.810 313 A HN 1.000 nan 8.150 nan 0.000 0.445 314 A N -0.290 122.617 122.820 0.145 0.000 1.930 314 A HA 0.020 2.292 4.320 -3.413 0.000 0.217 314 A C 2.076 179.801 177.584 0.236 0.000 1.175 314 A CA 1.440 53.608 52.037 0.218 0.000 0.627 314 A CB -0.464 18.731 19.000 0.325 0.000 0.815 314 A HN 0.466 nan 8.150 nan 0.000 0.443 315 L N -1.371 119.948 121.223 0.159 0.000 2.341 315 L HA -0.024 2.269 4.340 -3.413 0.000 0.214 315 L C 2.392 179.321 176.870 0.100 0.000 1.115 315 L CA 1.096 56.025 54.840 0.148 0.000 0.820 315 L CB -0.280 41.783 42.059 0.006 0.000 0.944 315 L HN 0.302 nan 8.230 nan 0.000 0.452 316 K N 1.310 121.735 120.400 0.042 0.000 2.063 316 K HA -0.149 2.123 4.320 -3.413 0.000 0.208 316 K C -0.610 175.929 176.600 -0.103 0.000 1.048 316 K CA 1.578 57.859 56.287 -0.010 0.000 0.928 316 K CB -1.070 31.428 32.500 -0.003 0.000 0.713 316 K HN 0.117 nan 8.250 nan 0.000 0.442 317 P HA -0.083 nan 4.420 nan 0.000 0.225 317 P C 0.218 177.118 177.300 -0.667 0.000 1.148 317 P CA 1.074 63.894 63.100 -0.468 0.000 0.779 317 P CB 0.070 31.370 31.700 -0.667 0.000 0.780 318 F N -2.167 117.593 119.950 -0.316 0.000 2.695 318 F HA 0.415 2.894 4.527 -3.413 0.000 0.303 318 F C 1.675 177.262 175.800 -0.356 0.000 1.091 318 F CA 0.327 57.993 58.000 -0.557 0.000 1.300 318 F CB -0.475 37.650 39.000 -1.459 0.000 1.071 318 F HN -0.073 nan 8.300 nan 0.000 0.578 319 G N 0.689 109.466 108.800 -0.038 0.000 2.147 319 G HA2 -0.177 1.736 3.960 -3.413 0.000 0.244 319 G HA3 -0.177 1.736 3.960 -3.413 0.000 0.244 319 G C 0.611 175.574 174.900 0.104 0.000 1.005 319 G CA -0.159 44.970 45.100 0.048 0.000 0.713 319 G HN 0.736 nan 8.290 nan 0.000 0.515 320 G N -1.171 107.688 108.800 0.098 0.000 2.476 320 G HA2 0.789 2.701 3.960 -3.413 0.000 0.286 320 G HA3 0.789 2.701 3.960 -3.413 0.000 0.286 320 G C 0.220 175.102 174.900 -0.031 0.000 1.177 320 G CA 0.225 45.378 45.100 0.087 0.000 0.870 320 G HN 1.614 nan 8.290 nan 0.000 0.528 321 V N -1.426 118.396 119.914 -0.153 0.000 2.960 321 V HA 0.805 2.877 4.120 -3.413 0.000 0.315 321 V C -0.502 175.388 176.094 -0.340 0.000 1.087 321 V CA -1.067 61.073 62.300 -0.266 0.000 0.982 321 V CB 1.847 33.422 31.823 -0.413 0.000 1.039 321 V HN 0.531 nan 8.190 nan 0.000 0.437 322 V N 3.268 123.049 119.914 -0.222 0.000 2.357 322 V HA 0.480 2.553 4.120 -3.413 0.000 0.284 322 V C -0.855 175.242 176.094 0.005 0.000 1.018 322 V CA -0.138 62.132 62.300 -0.051 0.000 0.841 322 V CB 1.052 32.972 31.823 0.161 0.000 0.991 322 V HN 0.723 nan 8.190 nan 0.000 0.437 323 F N 4.301 124.295 119.950 0.072 0.000 2.368 323 F HA 0.304 2.799 4.527 -3.387 0.000 0.362 323 F C 0.121 175.966 175.800 0.075 0.000 1.137 323 F CA -1.247 56.755 58.000 0.003 0.000 1.161 323 F CB 0.535 39.494 39.000 -0.068 0.000 1.265 323 F HN 0.543 nan 8.300 nan 0.000 0.530 324 W N 6.266 127.601 121.300 0.059 0.000 2.316 324 W HA 0.398 3.011 4.660 -3.412 0.000 0.308 324 W C -0.286 176.201 176.519 -0.054 0.000 1.106 324 W CA -0.935 56.413 57.345 0.005 0.000 1.262 324 W CB 0.822 30.251 29.460 -0.050 0.000 1.233 324 W HN 0.467 nan 8.180 nan 0.000 0.447 325 R N 3.668 124.029 120.500 -0.231 0.000 2.438 325 R HA 0.279 2.571 4.340 -3.413 0.000 0.287 325 R C 0.911 177.190 176.300 -0.035 0.000 1.077 325 R CA 0.076 56.115 56.100 -0.102 0.000 1.034 325 R CB 1.001 31.271 30.300 -0.051 0.000 0.993 325 R HN 0.553 nan 8.270 nan 0.000 0.459 326 A N 3.354 126.093 122.820 -0.135 0.000 2.251 326 A HA 0.005 2.277 4.320 -3.413 0.000 0.209 326 A C 0.264 177.928 177.584 0.133 0.000 1.187 326 A CA -0.119 51.767 52.037 -0.252 0.000 0.823 326 A CB -0.066 18.591 19.000 -0.572 0.000 0.846 326 A HN 0.656 nan 8.150 nan 0.000 0.486 327 F N 1.609 121.564 119.950 0.009 0.000 2.679 327 F HA 0.437 2.926 4.527 -3.396 0.000 0.351 327 F C -0.474 175.433 175.800 0.180 0.000 1.279 327 F CA -0.458 57.578 58.000 0.060 0.000 1.227 327 F CB -0.109 38.888 39.000 -0.004 0.000 1.623 327 F HN -0.087 nan 8.300 nan 0.000 0.666 328 V N 5.805 125.733 119.914 0.022 0.000 2.760 328 V HA 0.491 2.563 4.120 -3.413 0.000 0.309 328 V C -1.292 174.757 176.094 -0.075 0.000 1.077 328 V CA -1.000 61.253 62.300 -0.077 0.000 0.910 328 V CB 1.972 33.822 31.823 0.045 0.000 1.008 328 V HN 0.403 nan 8.190 nan 0.000 0.424 329 Y N 2.044 122.091 120.300 -0.422 0.000 2.282 329 Y HA 0.589 3.091 4.550 -3.414 0.000 0.317 329 Y C -0.859 174.848 175.900 -0.321 0.000 1.236 329 Y CA -0.994 56.898 58.100 -0.346 0.000 1.134 329 Y CB 0.661 38.994 38.460 -0.211 0.000 1.267 329 Y HN 0.650 nan 8.280 nan 0.000 0.410 330 H N 4.564 123.581 119.070 -0.089 0.000 2.562 330 H HA 0.235 2.744 4.556 -3.411 0.000 0.352 330 H C -1.952 173.331 175.328 -0.074 0.000 1.125 330 H CA -2.395 53.571 56.048 -0.136 0.000 1.379 330 H CB 1.597 31.298 29.762 -0.102 0.000 1.464 330 H HN 0.522 nan 8.280 nan 0.000 0.563 331 P HA -0.083 nan 4.420 nan 0.000 0.226 331 P C 0.687 177.999 177.300 0.019 0.000 1.153 331 P CA 0.929 64.011 63.100 -0.029 0.000 0.777 331 P CB 0.320 31.949 31.700 -0.117 0.000 0.794 332 D N -0.274 120.147 120.400 0.035 0.000 2.342 332 D HA 0.007 2.599 4.640 -3.413 0.000 0.221 332 D C 0.854 177.193 176.300 0.064 0.000 1.101 332 D CA -0.375 53.645 54.000 0.033 0.000 0.837 332 D CB -0.816 39.981 40.800 -0.005 0.000 0.938 332 D HN 0.253 nan 8.370 nan 0.000 0.508 333 I N -1.902 118.730 120.570 0.103 0.000 2.834 333 I HA 0.277 2.399 4.170 -3.413 0.000 0.305 333 I C 1.449 177.652 176.117 0.143 0.000 1.008 333 I CA -0.878 60.491 61.300 0.115 0.000 1.273 333 I CB 1.315 39.392 38.000 0.129 0.000 1.432 333 I HN -0.177 nan 8.210 nan 0.000 0.557 334 E N 1.419 121.697 120.200 0.130 0.000 2.152 334 E HA -0.094 2.208 4.350 -3.413 0.000 0.192 334 E C -0.342 176.383 176.600 0.208 0.000 0.983 334 E CA 0.595 57.076 56.400 0.135 0.000 0.818 334 E CB 0.072 29.823 29.700 0.085 0.000 0.758 334 E HN 0.755 nan 8.360 nan 0.000 0.467 335 D N -0.097 120.444 120.400 0.236 0.000 2.602 335 D HA 0.123 2.715 4.640 -3.413 0.000 0.245 335 D C 0.328 176.798 176.300 0.283 0.000 1.325 335 D CA -0.661 53.513 54.000 0.290 0.000 0.952 335 D CB 1.372 42.328 40.800 0.260 0.000 1.317 335 D HN 0.002 nan 8.370 nan 0.000 0.577 336 R N 2.968 123.677 120.500 0.348 0.000 2.117 336 R HA -0.190 2.102 4.340 -3.413 0.000 0.243 336 R C 1.513 177.937 176.300 0.208 0.000 1.143 336 R CA 1.319 57.566 56.100 0.245 0.000 0.968 336 R CB -0.327 30.085 30.300 0.188 0.000 0.863 336 R HN 0.484 nan 8.270 nan 0.000 0.444 337 F N 1.334 121.334 119.950 0.085 0.000 2.154 337 F HA -0.195 2.287 4.527 -3.408 0.000 0.301 337 F C 1.926 177.742 175.800 0.027 0.000 1.087 337 F CA 1.753 59.782 58.000 0.049 0.000 1.274 337 F CB 0.017 39.031 39.000 0.023 0.000 1.009 337 F HN -0.017 nan 8.300 nan 0.000 0.485 338 R N -0.435 120.248 120.500 0.304 0.000 2.276 338 R HA 0.045 2.338 4.340 -3.413 0.000 0.203 338 R C 2.503 178.884 176.300 0.135 0.000 1.017 338 R CA 0.508 56.727 56.100 0.198 0.000 1.010 338 R CB -0.770 29.639 30.300 0.182 0.000 0.900 338 R HN 0.438 nan 8.270 nan 0.000 0.469 339 G N 1.398 110.263 108.800 0.109 0.000 2.514 339 G HA2 -0.338 1.574 3.960 -3.413 0.000 0.217 339 G HA3 -0.338 1.574 3.960 -3.413 0.000 0.217 339 G C 1.542 176.489 174.900 0.079 0.000 1.198 339 G CA 0.971 46.122 45.100 0.084 0.000 0.780 339 G HN 0.387 nan 8.290 nan 0.000 0.565 340 A N -0.317 122.558 122.820 0.091 0.000 1.902 340 A HA -0.046 2.227 4.320 -3.413 0.000 0.217 340 A C 2.258 179.986 177.584 0.240 0.000 1.181 340 A CA 1.830 53.978 52.037 0.184 0.000 0.623 340 A CB -0.717 18.347 19.000 0.107 0.000 0.818 340 A HN 0.507 nan 8.150 nan 0.000 0.443 341 Y N 1.013 121.323 120.300 0.017 0.000 2.145 341 Y HA -0.211 2.290 4.550 -3.415 0.000 0.286 341 Y C 1.837 177.751 175.900 0.024 0.000 1.145 341 Y CA 2.114 60.217 58.100 0.004 0.000 1.148 341 Y CB -0.133 38.284 38.460 -0.071 0.000 0.981 341 Y HN 0.338 nan 8.280 nan 0.000 0.507 342 D N -0.066 120.470 120.400 0.226 0.000 2.218 342 D HA -0.148 2.445 4.640 -3.413 0.000 0.204 342 D C 1.967 178.246 176.300 -0.034 0.000 0.976 342 D CA 1.168 55.230 54.000 0.103 0.000 0.853 342 D CB -0.085 40.783 40.800 0.113 0.000 0.939 342 D HN 0.507 nan 8.370 nan 0.000 0.481 343 E N -0.555 119.599 120.200 -0.077 0.000 2.072 343 E HA -0.062 2.240 4.350 -3.413 0.000 0.190 343 E C 1.799 178.131 176.600 -0.447 0.000 0.982 343 E CA 0.627 56.843 56.400 -0.308 0.000 0.803 343 E CB -0.110 29.306 29.700 -0.474 0.000 0.755 343 E HN 0.361 nan 8.360 nan 0.000 0.453 344 F N -0.237 119.669 119.950 -0.073 0.000 2.582 344 F HA 0.087 2.570 4.527 -3.406 0.000 0.290 344 F C 2.299 178.038 175.800 -0.101 0.000 1.115 344 F CA 0.158 58.138 58.000 -0.033 0.000 1.445 344 F CB -0.116 38.884 39.000 0.000 0.000 1.126 344 F HN -0.099 nan 8.300 nan 0.000 0.574 345 M N 0.484 120.018 119.600 -0.110 0.000 2.108 345 M HA -0.130 2.303 4.480 -3.413 0.000 0.261 345 M C -0.589 175.629 176.300 -0.136 0.000 1.066 345 M CA 1.824 56.979 55.300 -0.242 0.000 1.107 345 M CB -2.287 29.969 32.600 -0.573 0.000 1.356 345 M HN -0.051 nan 8.290 nan 0.000 0.406 346 P HA -0.059 nan 4.420 nan 0.000 0.225 346 P C 1.332 178.570 177.300 -0.103 0.000 1.148 346 P CA 1.020 64.058 63.100 -0.103 0.000 0.779 346 P CB -0.139 31.496 31.700 -0.108 0.000 0.780 347 L N -1.875 119.299 121.223 -0.081 0.000 2.607 347 L HA 0.176 2.468 4.340 -3.413 0.000 0.228 347 L C 0.657 177.502 176.870 -0.041 0.000 1.123 347 L CA -0.301 54.461 54.840 -0.130 0.000 0.890 347 L CB -0.476 41.479 42.059 -0.175 0.000 1.103 347 L HN -0.122 nan 8.230 nan 0.000 0.468 348 D N 0.995 121.411 120.400 0.027 0.000 2.472 348 D HA 0.248 2.840 4.640 -3.413 0.000 0.248 348 D C 1.263 177.564 176.300 0.002 0.000 1.174 348 D CA 1.537 55.566 54.000 0.049 0.000 0.883 348 D CB 0.849 41.627 40.800 -0.038 0.000 1.149 348 D HN 0.300 nan 8.370 nan 0.000 0.488 349 G N 3.974 112.801 108.800 0.046 0.000 2.213 349 G HA2 -0.308 1.604 3.960 -3.413 0.000 0.236 349 G HA3 -0.308 1.604 3.960 -3.413 0.000 0.236 349 G C 1.127 176.008 174.900 -0.032 0.000 0.991 349 G CA 0.429 45.535 45.100 0.009 0.000 0.629 349 G HN 0.564 nan 8.290 nan 0.000 0.517 350 K N -0.516 119.805 120.400 -0.132 0.000 2.393 350 K HA 0.321 2.593 4.320 -3.413 0.000 0.193 350 K C 0.172 176.575 176.600 -0.328 0.000 1.026 350 K CA -0.075 56.053 56.287 -0.266 0.000 1.064 350 K CB 0.205 32.474 32.500 -0.386 0.000 0.833 350 K HN 0.348 nan 8.250 nan 0.000 0.521 351 F N 1.510 121.433 119.950 -0.045 0.000 2.384 351 F HA 0.277 2.760 4.527 -3.406 0.000 0.338 351 F C 0.933 176.718 175.800 -0.026 0.000 1.103 351 F CA -1.182 56.787 58.000 -0.052 0.000 1.157 351 F CB 0.567 39.539 39.000 -0.047 0.000 1.167 351 F HN -0.087 nan 8.300 nan 0.000 0.529 352 A N 1.517 124.435 122.820 0.164 0.000 2.448 352 A HA 0.119 2.391 4.320 -3.413 0.000 0.239 352 A C 1.023 178.678 177.584 0.120 0.000 1.080 352 A CA -0.113 51.987 52.037 0.104 0.000 0.779 352 A CB -0.028 19.016 19.000 0.073 0.000 1.026 352 A HN 0.835 nan 8.150 nan 0.000 0.499 353 D N 0.327 120.790 120.400 0.105 0.000 2.310 353 D HA -0.167 2.426 4.640 -3.413 0.000 0.212 353 D C 0.709 177.107 176.300 0.164 0.000 0.965 353 D CA 1.268 55.353 54.000 0.141 0.000 0.879 353 D CB -0.273 40.607 40.800 0.135 0.000 0.921 353 D HN 0.584 nan 8.370 nan 0.000 0.510 354 N N 0.734 119.485 118.700 0.084 0.000 2.276 354 N HA 0.004 2.696 4.740 -3.413 0.000 0.212 354 N C -0.582 174.874 175.510 -0.090 0.000 1.127 354 N CA -0.241 52.788 53.050 -0.034 0.000 0.834 354 N CB 0.335 38.829 38.487 0.013 0.000 1.014 354 N HN 0.038 nan 8.380 nan 0.000 0.491 355 V N 1.541 121.445 119.914 -0.016 0.000 2.435 355 V HA 0.469 2.541 4.120 -3.413 0.000 0.290 355 V C 0.058 176.127 176.094 -0.042 0.000 1.030 355 V CA -0.735 61.561 62.300 -0.006 0.000 0.881 355 V CB 1.634 33.494 31.823 0.061 0.000 0.983 355 V HN 0.087 nan 8.190 nan 0.000 0.445 356 I N 5.115 125.676 120.570 -0.016 0.000 2.466 356 I HA 0.359 2.481 4.170 -3.413 0.000 0.289 356 I C -0.752 175.346 176.117 -0.031 0.000 1.026 356 I CA -0.797 60.505 61.300 0.003 0.000 1.078 356 I CB 1.963 40.025 38.000 0.103 0.000 1.249 356 I HN 0.394 nan 8.210 nan 0.000 0.429 357 L N 6.407 127.530 121.223 -0.167 0.000 2.315 357 L HA 0.230 2.522 4.340 -3.413 0.000 0.283 357 L C 0.127 176.901 176.870 -0.160 0.000 1.089 357 L CA 0.439 55.134 54.840 -0.241 0.000 0.833 357 L CB 0.684 42.481 42.059 -0.436 0.000 1.170 357 L HN 0.626 nan 8.230 nan 0.000 0.442 358 Q N 5.470 125.197 119.800 -0.121 0.000 2.360 358 Q HA 0.515 2.808 4.340 -3.413 0.000 0.254 358 Q C -1.330 174.587 176.000 -0.138 0.000 0.975 358 Q CA -0.277 55.457 55.803 -0.116 0.000 0.912 358 Q CB 0.695 29.372 28.738 -0.102 0.000 1.212 358 Q HN 0.718 nan 8.270 nan 0.000 0.452 359 I N 4.178 124.667 120.570 -0.136 0.000 2.406 359 I HA 0.336 2.459 4.170 -3.413 0.000 0.290 359 I C -0.155 175.923 176.117 -0.066 0.000 0.999 359 I CA -0.901 60.265 61.300 -0.223 0.000 1.124 359 I CB 1.759 39.396 38.000 -0.605 0.000 1.289 359 I HN 0.485 nan 8.210 nan 0.000 0.441 360 K N 4.613 124.966 120.400 -0.078 0.000 2.336 360 K HA 0.019 2.292 4.320 -3.413 0.000 0.262 360 K C 1.223 177.904 176.600 0.135 0.000 0.992 360 K CA -0.172 56.107 56.287 -0.013 0.000 0.927 360 K CB 0.484 32.809 32.500 -0.291 0.000 0.956 360 K HN 0.687 nan 8.250 nan 0.000 0.495 361 N N 0.680 119.522 118.700 0.238 0.000 2.149 361 N HA -0.130 2.562 4.740 -3.413 0.000 0.188 361 N C 0.638 176.345 175.510 0.328 0.000 1.019 361 N CA 1.169 54.419 53.050 0.333 0.000 0.857 361 N CB -0.125 38.624 38.487 0.436 0.000 0.997 361 N HN 0.525 nan 8.380 nan 0.000 0.426 362 G N 0.030 108.926 108.800 0.159 0.000 2.600 362 G HA2 0.457 2.369 3.960 -3.413 0.000 0.303 362 G HA3 0.457 2.369 3.960 -3.413 0.000 0.303 362 G C -2.283 172.533 174.900 -0.139 0.000 1.253 362 G CA -1.225 43.875 45.100 -0.000 0.000 0.974 362 G HN -0.058 nan 8.290 nan 0.000 0.483 363 P HA 0.108 nan 4.420 nan 0.000 0.245 363 P C 0.909 178.051 177.300 -0.262 0.000 1.206 363 P CA 0.192 63.061 63.100 -0.385 0.000 0.781 363 P CB 0.597 31.796 31.700 -0.836 0.000 0.994 364 I N 0.422 120.886 120.570 -0.177 0.000 4.682 364 I HA 0.203 2.325 4.170 -3.413 0.000 0.229 364 I C 0.396 176.496 176.117 -0.028 0.000 0.980 364 I CA 1.054 62.317 61.300 -0.061 0.000 1.588 364 I CB -0.940 37.109 38.000 0.082 0.000 1.448 364 I HN -0.069 nan 8.210 nan 0.000 0.457 365 D N -0.646 119.709 120.400 -0.076 0.000 3.171 365 D HA 0.149 2.741 4.640 -3.413 0.000 0.240 365 D C -0.764 175.474 176.300 -0.104 0.000 1.432 365 D CA -0.400 53.504 54.000 -0.159 0.000 0.892 365 D CB -0.292 40.515 40.800 0.011 0.000 1.499 365 D HN 0.137 nan 8.370 nan 0.000 0.597 366 F N -0.262 119.697 119.950 0.015 0.000 3.084 366 F HA -0.277 2.228 4.527 -3.371 0.000 0.286 366 F C 0.977 176.760 175.800 -0.027 0.000 0.855 366 F CA 0.537 58.591 58.000 0.090 0.000 1.091 366 F CB -1.875 37.267 39.000 0.236 0.000 1.177 366 F HN 0.376 nan 8.300 nan 0.000 0.542 367 Q N 0.418 120.213 119.800 -0.007 0.000 2.454 367 Q HA 0.103 2.396 4.340 -3.413 0.000 0.247 367 Q C -0.938 175.064 176.000 0.004 0.000 1.028 367 Q CA -1.103 54.613 55.803 -0.145 0.000 0.910 367 Q CB 0.151 28.854 28.738 -0.058 0.000 1.276 367 Q HN 0.011 nan 8.270 nan 0.000 0.489 368 P HA -0.138 nan 4.420 nan 0.000 0.217 368 P C 0.016 177.379 177.300 0.106 0.000 1.148 368 P CA 1.511 64.505 63.100 -0.177 0.000 0.828 368 P CB 0.304 31.684 31.700 -0.534 0.000 0.783 369 R N -0.283 120.279 120.500 0.103 0.000 2.533 369 R HA 0.333 2.625 4.340 -3.413 0.000 0.288 369 R C -1.126 175.334 176.300 0.266 0.000 1.039 369 R CA -0.446 55.752 56.100 0.163 0.000 0.909 369 R CB 1.569 31.942 30.300 0.122 0.000 1.195 369 R HN -0.108 nan 8.270 nan 0.000 0.438 370 E N 4.343 124.620 120.200 0.128 0.000 2.317 370 E HA 0.412 2.715 4.350 -3.413 0.000 0.270 370 E C -2.483 173.988 176.600 -0.216 0.000 0.885 370 E CA -2.271 54.045 56.400 -0.139 0.000 0.760 370 E CB 2.629 32.255 29.700 -0.123 0.000 1.227 370 E HN 0.455 nan 8.360 nan 0.000 0.434 371 P HA 0.045 nan 4.420 nan 0.000 0.272 371 P C -0.423 176.917 177.300 0.068 0.000 1.240 371 P CA -0.329 62.662 63.100 -0.182 0.000 0.791 371 P CB 0.218 31.764 31.700 -0.256 0.000 0.978 372 F N -0.938 119.190 119.950 0.296 0.000 2.506 372 F HA 0.266 2.742 4.527 -3.417 0.000 0.351 372 F C 0.336 176.365 175.800 0.381 0.000 1.136 372 F CA -0.656 57.554 58.000 0.349 0.000 1.298 372 F CB -0.561 38.663 39.000 0.374 0.000 1.145 372 F HN 0.093 nan 8.300 nan 0.000 0.593 373 S N 2.652 118.611 115.700 0.432 0.000 2.515 373 S HA 0.292 2.715 4.470 -3.413 0.000 0.285 373 S C 1.214 175.928 174.600 0.189 0.000 1.265 373 S CA -0.155 58.107 58.200 0.104 0.000 1.079 373 S CB 0.943 64.073 63.200 -0.116 0.000 0.877 373 S HN 0.932 nan 8.310 nan 0.000 0.493 374 A N 4.114 126.836 122.820 -0.163 0.000 2.019 374 A HA -0.061 2.211 4.320 -3.413 0.000 0.219 374 A C 1.907 179.606 177.584 0.192 0.000 1.164 374 A CA 1.053 52.951 52.037 -0.231 0.000 0.644 374 A CB -0.547 17.906 19.000 -0.910 0.000 0.805 374 A HN 0.830 nan 8.150 nan 0.000 0.449 375 L N -1.815 119.476 121.223 0.113 0.000 2.081 375 L HA -0.235 2.057 4.340 -3.413 0.000 0.212 375 L C 2.329 179.228 176.870 0.049 0.000 1.080 375 L CA 1.343 56.196 54.840 0.021 0.000 0.754 375 L CB -0.579 41.354 42.059 -0.211 0.000 0.893 375 L HN 0.403 nan 8.230 nan 0.000 0.433 376 F N -0.234 119.851 119.950 0.225 0.000 2.216 376 F HA -0.182 2.293 4.527 -3.419 0.000 0.300 376 F C 2.431 178.425 175.800 0.323 0.000 1.085 376 F CA 1.144 59.277 58.000 0.221 0.000 1.326 376 F CB -0.728 38.385 39.000 0.190 0.000 1.027 376 F HN 0.020 nan 8.300 nan 0.000 0.497 377 A N -0.850 122.310 122.820 0.567 0.000 2.238 377 A HA 0.372 2.644 4.320 -3.413 0.000 0.210 377 A C 2.314 180.180 177.584 0.470 0.000 1.179 377 A CA 0.955 53.311 52.037 0.531 0.000 0.827 377 A CB -0.931 18.400 19.000 0.552 0.000 0.856 377 A HN 0.363 nan 8.150 nan 0.000 0.488 378 G N -1.343 107.648 108.800 0.319 0.000 2.720 378 G HA2 0.238 2.150 3.960 -3.413 0.000 0.204 378 G HA3 0.238 2.150 3.960 -3.413 0.000 0.204 378 G C 0.657 175.489 174.900 -0.114 0.000 1.113 378 G CA -0.192 44.999 45.100 0.152 0.000 0.805 378 G HN 0.267 nan 8.290 nan 0.000 0.536 379 M N 3.009 122.508 119.600 -0.168 0.000 2.264 379 M HA 0.207 2.640 4.480 -3.413 0.000 0.340 379 M C 1.020 176.942 176.300 -0.630 0.000 1.420 379 M CA -0.025 55.114 55.300 -0.268 0.000 1.254 379 M CB 0.700 33.212 32.600 -0.147 0.000 1.575 379 M HN 0.250 nan 8.290 nan 0.000 0.452 380 S N 2.663 117.952 115.700 -0.685 0.000 2.540 380 S HA 0.217 2.640 4.470 -3.413 0.000 0.218 380 S C 1.059 175.431 174.600 -0.379 0.000 0.977 380 S CA -0.334 57.262 58.200 -1.007 0.000 0.918 380 S CB 0.395 63.177 63.200 -0.697 0.000 0.806 380 S HN 0.761 nan 8.310 nan 0.000 0.496 381 R N 0.614 120.989 120.500 -0.207 0.000 2.616 381 R HA 0.318 2.610 4.340 -3.413 0.000 0.427 381 R C -0.892 175.411 176.300 0.004 0.000 1.030 381 R CA -0.032 56.031 56.100 -0.063 0.000 1.133 381 R CB 1.235 31.510 30.300 -0.041 0.000 1.444 381 R HN 0.206 nan 8.270 nan 0.000 0.578 382 T N 0.542 115.090 114.554 -0.011 0.000 2.916 382 T HA 0.282 2.585 4.350 -3.413 0.000 0.298 382 T C -0.650 174.065 174.700 0.025 0.000 1.031 382 T CA -0.882 61.244 62.100 0.042 0.000 0.993 382 T CB 1.811 70.708 68.868 0.048 0.000 1.045 382 T HN 0.012 nan 8.240 nan 0.000 0.454 383 N N 2.861 121.590 118.700 0.049 0.000 2.492 383 N HA 0.306 2.999 4.740 -3.413 0.000 0.262 383 N C -0.472 175.052 175.510 0.023 0.000 1.202 383 N CA 0.361 53.457 53.050 0.077 0.000 0.926 383 N CB 0.398 38.960 38.487 0.125 0.000 1.078 383 N HN 0.560 nan 8.380 nan 0.000 0.454 384 M N 1.812 121.452 119.600 0.067 0.000 2.591 384 M HA 0.547 2.979 4.480 -3.413 0.000 0.306 384 M C -0.228 176.118 176.300 0.077 0.000 1.190 384 M CA -0.718 54.617 55.300 0.057 0.000 0.889 384 M CB 2.223 34.905 32.600 0.137 0.000 1.728 384 M HN 0.411 nan 8.290 nan 0.000 0.458 385 M N 1.069 120.699 119.600 0.049 0.000 2.531 385 M HA 0.684 3.116 4.480 -3.413 0.000 0.286 385 M C -1.422 174.903 176.300 0.041 0.000 1.232 385 M CA -0.991 54.310 55.300 0.001 0.000 0.877 385 M CB 2.403 34.935 32.600 -0.114 0.000 1.726 385 M HN 0.677 nan 8.290 nan 0.000 0.463 386 M N 2.178 121.744 119.600 -0.057 0.000 2.274 386 M HA 0.391 2.823 4.480 -3.413 0.000 0.344 386 M C -0.883 175.293 176.300 -0.206 0.000 1.161 386 M CA 0.522 55.739 55.300 -0.138 0.000 1.126 386 M CB 0.960 33.266 32.600 -0.489 0.000 1.522 386 M HN 0.796 nan 8.290 nan 0.000 0.461 387 E N 4.130 124.227 120.200 -0.170 0.000 2.185 387 E HA 0.384 2.687 4.350 -3.413 0.000 0.261 387 E C -1.859 174.728 176.600 -0.022 0.000 0.879 387 E CA -0.289 56.058 56.400 -0.088 0.000 0.756 387 E CB 0.805 30.531 29.700 0.043 0.000 1.152 387 E HN 0.718 nan 8.360 nan 0.000 0.416 388 F N 1.927 121.849 119.950 -0.047 0.000 2.470 388 F HA 0.323 2.705 4.527 -3.575 0.000 0.329 388 F C 0.490 175.960 175.800 -0.549 0.000 1.072 388 F CA -0.969 56.922 58.000 -0.182 0.000 0.989 388 F CB 1.976 40.690 39.000 -0.477 0.000 1.193 388 F HN 0.347 nan 8.300 nan 0.000 0.481 389 Q N 1.813 121.277 119.800 -0.559 0.000 2.290 389 Q HA 0.365 2.658 4.340 -3.413 0.000 0.259 389 Q C -0.345 175.446 176.000 -0.348 0.000 0.941 389 Q CA -0.347 54.940 55.803 -0.860 0.000 0.912 389 Q CB 1.374 29.198 28.738 -1.524 0.000 1.244 389 Q HN 0.689 nan 8.270 nan 0.000 0.441 390 I N 1.409 121.743 120.570 -0.393 0.000 2.899 390 I HA -0.003 2.120 4.170 -3.413 0.000 0.257 390 I C 1.135 177.134 176.117 -0.197 0.000 1.115 390 I CA 0.441 61.615 61.300 -0.210 0.000 1.451 390 I CB 0.028 37.865 38.000 -0.272 0.000 1.251 390 I HN 0.559 nan 8.210 nan 0.000 0.456 391 T N 1.975 116.360 114.554 -0.282 0.000 2.946 391 T HA -0.062 2.240 4.350 -3.413 0.000 0.312 391 T C 0.389 175.081 174.700 -0.012 0.000 1.066 391 T CA 0.206 62.226 62.100 -0.132 0.000 1.138 391 T CB 0.166 68.876 68.868 -0.263 0.000 1.014 391 T HN 0.238 nan 8.240 nan 0.000 0.544 392 Q N 3.418 123.302 119.800 0.139 0.000 3.207 392 Q HA 0.119 2.411 4.340 -3.413 0.000 0.335 392 Q C 1.366 177.431 176.000 0.109 0.000 1.374 392 Q CA -0.222 55.658 55.803 0.129 0.000 1.023 392 Q CB 0.305 29.112 28.738 0.114 0.000 1.576 392 Q HN 0.835 nan 8.270 nan 0.000 0.515 393 E N 0.270 120.531 120.200 0.102 0.000 2.085 393 E HA -0.221 2.081 4.350 -3.413 0.000 0.194 393 E C 0.228 176.653 176.600 -0.291 0.000 0.994 393 E CA 1.433 57.800 56.400 -0.056 0.000 0.801 393 E CB 0.254 29.777 29.700 -0.294 0.000 0.743 393 E HN 0.553 nan 8.360 nan 0.000 0.453 394 Y N -2.195 118.090 120.300 -0.025 0.000 2.481 394 Y HA 0.232 2.729 4.550 -3.421 0.000 0.247 394 Y C 0.232 175.936 175.900 -0.327 0.000 1.151 394 Y CA -0.263 57.629 58.100 -0.346 0.000 1.238 394 Y CB 0.658 38.826 38.460 -0.487 0.000 1.179 394 Y HN 0.008 nan 8.280 nan 0.000 0.524 395 F N -0.583 119.357 119.950 -0.016 0.000 2.735 395 F HA 0.501 2.985 4.527 -3.405 0.000 0.308 395 F C 1.258 176.928 175.800 -0.215 0.000 1.112 395 F CA 0.021 57.952 58.000 -0.115 0.000 1.235 395 F CB 1.110 40.048 39.000 -0.103 0.000 1.027 395 F HN -0.003 nan 8.300 nan 0.000 0.528 396 G N -0.403 108.299 108.800 -0.165 0.000 2.151 396 G HA2 -0.217 1.696 3.960 -3.413 0.000 0.156 396 G HA3 -0.217 1.696 3.960 -3.413 0.000 0.156 396 G C 0.351 175.263 174.900 0.022 0.000 1.017 396 G CA -0.412 44.382 45.100 -0.511 0.000 0.686 396 G HN 0.040 nan 8.290 nan 0.000 0.503 397 F N -1.625 118.138 119.950 -0.311 0.000 2.192 397 F HA -0.297 2.182 4.527 -3.415 0.000 0.317 397 F C 2.127 177.854 175.800 -0.121 0.000 1.454 397 F CA 1.380 58.972 58.000 -0.681 0.000 0.932 397 F CB -1.866 36.760 39.000 -0.623 0.000 4.108 397 F HN 1.184 nan 8.300 nan 0.000 0.138 398 A N -0.501 122.499 122.820 0.301 0.000 2.423 398 A HA 0.454 2.727 4.320 -3.413 0.000 0.246 398 A C 1.187 179.035 177.584 0.440 0.000 1.278 398 A CA 1.072 53.326 52.037 0.362 0.000 0.903 398 A CB -0.698 18.500 19.000 0.331 0.000 0.997 398 A HN 0.921 nan 8.150 nan 0.000 0.510 399 T N -3.924 110.920 114.554 0.484 0.000 2.985 399 T HA 0.231 2.533 4.350 -3.413 0.000 0.254 399 T C 0.472 175.514 174.700 0.570 0.000 1.021 399 T CA 0.047 62.452 62.100 0.508 0.000 0.957 399 T CB -0.305 68.837 68.868 0.458 0.000 1.047 399 T HN 0.535 nan 8.240 nan 0.000 0.511 400 H N 0.611 119.848 119.070 0.279 0.000 2.463 400 H HA 0.481 2.989 4.556 -3.412 0.000 0.332 400 H C -0.829 174.399 175.328 -0.166 0.000 1.127 400 H CA -1.008 55.118 56.048 0.131 0.000 1.238 400 H CB 2.228 32.074 29.762 0.140 0.000 1.478 400 H HN 0.104 nan 8.280 nan 0.000 0.499 401 L N 2.729 123.885 121.223 -0.111 0.000 2.278 401 L HA 0.384 2.676 4.340 -3.413 0.000 0.287 401 L C -0.448 176.309 176.870 -0.189 0.000 1.072 401 L CA -0.236 54.368 54.840 -0.392 0.000 0.819 401 L CB 0.073 41.916 42.059 -0.359 0.000 1.176 401 L HN 0.750 nan 8.230 nan 0.000 0.435 402 A N 4.835 127.531 122.820 -0.207 0.000 3.005 402 A HA 0.164 2.437 4.320 -3.413 0.000 0.308 402 A C -1.167 176.263 177.584 -0.257 0.000 1.173 402 A CA -0.484 51.431 52.037 -0.205 0.000 0.796 402 A CB 0.026 18.919 19.000 -0.178 0.000 1.325 402 A HN 0.603 nan 8.150 nan 0.000 0.467 403 Y N 1.885 121.999 120.300 -0.311 0.000 2.632 403 Y HA 0.149 2.654 4.550 -3.409 0.000 0.329 403 Y C 0.904 176.506 175.900 -0.496 0.000 1.174 403 Y CA 0.310 58.212 58.100 -0.330 0.000 1.469 403 Y CB 0.760 39.085 38.460 -0.225 0.000 1.242 403 Y HN 0.639 nan 8.280 nan 0.000 0.540 404 Q N 4.458 123.731 119.800 -0.878 0.000 2.360 404 Q HA 0.093 2.385 4.340 -3.413 0.000 0.202 404 Q C 2.110 177.050 176.000 -1.767 0.000 0.915 404 Q CA 0.656 55.675 55.803 -1.306 0.000 0.943 404 Q CB 0.145 28.121 28.738 -1.271 0.000 1.064 404 Q HN 1.112 nan 8.270 nan 0.000 0.511 405 G N 2.783 110.469 108.800 -1.856 0.000 2.556 405 G HA2 -0.256 1.657 3.960 -3.413 0.000 0.220 405 G HA3 -0.256 1.657 3.960 -3.413 0.000 0.220 405 G C -1.019 173.369 174.900 -0.854 0.000 1.156 405 G CA 0.707 45.014 45.100 -1.321 0.000 0.766 405 G HN 0.360 nan 8.290 nan 0.000 0.583 406 P HA -0.007 nan 4.420 nan 0.000 0.218 406 P C 2.018 179.095 177.300 -0.372 0.000 1.149 406 P CA 0.433 63.284 63.100 -0.416 0.000 0.817 406 P CB -0.069 31.444 31.700 -0.311 0.000 0.785 407 L N -1.898 118.998 121.223 -0.545 0.000 2.027 407 L HA -0.148 2.144 4.340 -3.413 0.000 0.206 407 L C 2.010 178.728 176.870 -0.254 0.000 1.074 407 L CA 1.722 56.341 54.840 -0.368 0.000 0.745 407 L CB -0.575 41.221 42.059 -0.438 0.000 0.898 407 L HN -0.150 nan 8.230 nan 0.000 0.433 408 F N 0.469 120.103 119.950 -0.527 0.000 2.102 408 F HA -0.194 2.510 4.527 -3.038 0.000 0.298 408 F C 2.615 178.247 175.800 -0.280 0.000 1.105 408 F CA 1.469 59.022 58.000 -0.745 0.000 1.239 408 F CB -1.222 37.234 39.000 -0.908 0.000 0.991 408 F HN 0.271 nan 8.300 nan 0.000 0.474 409 E N 0.545 120.708 120.200 -0.061 0.000 2.077 409 E HA -0.266 2.036 4.350 -3.413 0.000 0.193 409 E C 2.226 178.833 176.600 0.012 0.000 0.989 409 E CA 1.395 57.785 56.400 -0.017 0.000 0.800 409 E CB -0.214 29.454 29.700 -0.053 0.000 0.746 409 E HN 0.549 nan 8.360 nan 0.000 0.452 410 E N 0.013 120.208 120.200 -0.008 0.000 2.058 410 E HA -0.214 2.088 4.350 -3.413 0.000 0.194 410 E C 2.133 178.786 176.600 0.088 0.000 0.997 410 E CA 1.574 57.994 56.400 0.033 0.000 0.801 410 E CB -0.133 29.579 29.700 0.020 0.000 0.746 410 E HN 0.114 nan 8.360 nan 0.000 0.450 411 S N 0.257 116.042 115.700 0.142 0.000 2.351 411 S HA -0.129 2.294 4.470 -3.413 0.000 0.220 411 S C 1.955 176.617 174.600 0.102 0.000 1.035 411 S CA 1.285 59.609 58.200 0.207 0.000 1.031 411 S CB -0.273 63.185 63.200 0.431 0.000 0.928 411 S HN 0.280 nan 8.310 nan 0.000 0.433 412 L N 0.805 122.100 121.223 0.119 0.000 2.131 412 L HA -0.074 2.218 4.340 -3.413 0.000 0.210 412 L C 1.982 178.835 176.870 -0.029 0.000 1.092 412 L CA 1.176 56.030 54.840 0.024 0.000 0.759 412 L CB -0.338 41.778 42.059 0.094 0.000 0.903 412 L HN 0.205 nan 8.230 nan 0.000 0.435 413 K N -0.934 119.468 120.400 0.003 0.000 2.404 413 K HA 0.101 2.373 4.320 -3.413 0.000 0.194 413 K C 0.328 176.905 176.600 -0.038 0.000 1.023 413 K CA -0.043 56.236 56.287 -0.014 0.000 1.094 413 K CB 0.169 32.674 32.500 0.008 0.000 0.841 413 K HN 0.131 nan 8.250 nan 0.000 0.523 414 T N 2.280 116.808 114.554 -0.044 0.000 2.853 414 T HA -0.009 2.293 4.350 -3.413 0.000 0.298 414 T C -0.043 174.549 174.700 -0.180 0.000 0.978 414 T CA 0.116 62.187 62.100 -0.047 0.000 1.152 414 T CB 0.721 69.593 68.868 0.006 0.000 0.914 414 T HN 0.098 nan 8.240 nan 0.000 0.539 415 E N 2.310 122.415 120.200 -0.157 0.000 2.257 415 E HA 0.156 2.458 4.350 -3.413 0.000 0.278 415 E C 1.196 177.594 176.600 -0.337 0.000 1.049 415 E CA -0.181 56.044 56.400 -0.292 0.000 0.876 415 E CB 0.631 30.131 29.700 -0.334 0.000 1.035 415 E HN 0.669 nan 8.360 nan 0.000 0.419 416 T N 1.141 115.450 114.554 -0.409 0.000 3.014 416 T HA 0.019 2.321 4.350 -3.413 0.000 0.250 416 T C 0.336 175.054 174.700 0.030 0.000 1.060 416 T CA 0.470 62.391 62.100 -0.298 0.000 1.040 416 T CB -0.319 68.281 68.868 -0.446 0.000 0.971 416 T HN 0.706 nan 8.240 nan 0.000 0.497 417 H N 0.045 119.065 119.070 -0.084 0.000 2.921 417 H HA -0.215 2.293 4.556 -3.412 0.000 0.281 417 H C 1.729 177.054 175.328 -0.005 0.000 1.165 417 H CA 0.471 56.492 56.048 -0.045 0.000 1.151 417 H CB -1.836 27.902 29.762 -0.041 0.000 1.311 417 H HN 0.645 nan 8.280 nan 0.000 0.361 418 A N 1.064 123.924 122.820 0.067 0.000 1.917 418 A HA -0.161 2.111 4.320 -3.413 0.000 0.219 418 A C 1.931 179.574 177.584 0.099 0.000 1.182 418 A CA 1.817 53.931 52.037 0.127 0.000 0.633 418 A CB -0.065 18.997 19.000 0.104 0.000 0.819 418 A HN 0.456 nan 8.150 nan 0.000 0.448 419 R N -1.540 118.954 120.500 -0.009 0.000 2.772 419 R HA 0.417 2.710 4.340 -3.413 0.000 0.358 419 R C 0.436 176.729 176.300 -0.012 0.000 1.143 419 R CA 0.248 56.346 56.100 -0.004 0.000 1.153 419 R CB 0.322 30.585 30.300 -0.062 0.000 1.329 419 R HN 0.760 nan 8.270 nan 0.000 0.615 420 G N 1.241 110.059 108.800 0.030 0.000 2.693 420 G HA2 -0.279 1.633 3.960 -3.413 0.000 0.226 420 G HA3 -0.279 1.633 3.960 -3.413 0.000 0.226 420 G C -0.486 174.403 174.900 -0.018 0.000 1.354 420 G CA -0.754 44.372 45.100 0.044 0.000 0.873 420 G HN 0.391 nan 8.290 nan 0.000 0.562 421 E N 0.447 120.639 120.200 -0.014 0.000 2.415 421 E HA 0.368 2.671 4.350 -3.413 0.000 0.262 421 E C 1.343 177.874 176.600 -0.116 0.000 1.038 421 E CA 1.246 57.589 56.400 -0.094 0.000 0.921 421 E CB 0.283 29.959 29.700 -0.040 0.000 0.950 421 E HN 2.218 nan 8.360 nan 0.000 0.438 422 G N 1.876 110.584 108.800 -0.153 0.000 2.176 422 G HA2 -0.282 1.630 3.960 -3.413 0.000 0.253 422 G HA3 -0.282 1.630 3.960 -3.413 0.000 0.253 422 G C 0.424 175.219 174.900 -0.174 0.000 0.979 422 G CA 0.242 45.260 45.100 -0.137 0.000 0.641 422 G HN 0.410 nan 8.290 nan 0.000 0.530 423 S N 2.039 117.607 115.700 -0.220 0.000 3.513 423 S HA 0.434 2.857 4.470 -3.413 0.000 0.209 423 S C 1.013 175.446 174.600 -0.279 0.000 1.446 423 S CA 0.428 58.477 58.200 -0.251 0.000 1.150 423 S CB 0.004 63.066 63.200 -0.230 0.000 1.266 423 S HN 1.039 nan 8.310 nan 0.000 0.502 424 T N -0.583 113.821 114.554 -0.250 0.000 2.860 424 T HA 0.291 2.594 4.350 -3.413 0.000 0.299 424 T C 1.604 176.119 174.700 -0.309 0.000 1.045 424 T CA -0.743 61.202 62.100 -0.259 0.000 1.071 424 T CB 0.446 69.205 68.868 -0.182 0.000 0.985 424 T HN 0.082 nan 8.240 nan 0.000 0.537 425 I N 1.810 122.173 120.570 -0.343 0.000 2.208 425 I HA -0.112 2.011 4.170 -3.413 0.000 0.245 425 I C 2.780 178.632 176.117 -0.442 0.000 1.097 425 I CA 2.017 63.069 61.300 -0.414 0.000 1.363 425 I CB -1.958 35.792 38.000 -0.416 0.000 1.051 425 I HN 0.987 nan 8.210 nan 0.000 0.413 426 G N 1.142 109.682 108.800 -0.434 0.000 2.446 426 G HA2 -0.277 1.635 3.960 -3.413 0.000 0.217 426 G HA3 -0.277 1.635 3.960 -3.413 0.000 0.217 426 G C 1.463 175.817 174.900 -0.911 0.000 1.168 426 G CA 0.680 45.283 45.100 -0.829 0.000 0.771 426 G HN 0.340 nan 8.290 nan 0.000 0.551 427 N N 0.560 118.988 118.700 -0.452 0.000 2.244 427 N HA -0.016 2.676 4.740 -3.413 0.000 0.183 427 N C 2.207 177.562 175.510 -0.259 0.000 1.016 427 N CA 0.583 53.475 53.050 -0.263 0.000 0.866 427 N CB -0.195 38.194 38.487 -0.164 0.000 0.980 427 N HN 0.379 nan 8.380 nan 0.000 0.430 428 I N 0.884 121.282 120.570 -0.286 0.000 2.142 428 I HA -0.244 1.878 4.170 -3.413 0.000 0.240 428 I C 2.004 178.040 176.117 -0.134 0.000 1.078 428 I CA 0.889 62.063 61.300 -0.209 0.000 1.343 428 I CB -0.261 37.650 38.000 -0.147 0.000 1.046 428 I HN 0.052 nan 8.210 nan 0.000 0.405 429 L N 0.260 121.344 121.223 -0.233 0.000 2.079 429 L HA -0.248 2.044 4.340 -3.413 0.000 0.210 429 L C 2.520 179.312 176.870 -0.130 0.000 1.081 429 L CA 1.513 56.241 54.840 -0.186 0.000 0.752 429 L CB -0.628 41.257 42.059 -0.290 0.000 0.896 429 L HN 0.324 nan 8.230 nan 0.000 0.433 430 E N -0.041 120.056 120.200 -0.173 0.000 2.268 430 E HA -0.131 2.172 4.350 -3.413 0.000 0.195 430 E C 1.430 178.005 176.600 -0.041 0.000 0.995 430 E CA 0.743 57.099 56.400 -0.074 0.000 0.836 430 E CB 0.093 29.791 29.700 -0.003 0.000 0.763 430 E HN 0.511 nan 8.360 nan 0.000 0.491 431 G N 0.743 109.519 108.800 -0.039 0.000 2.159 431 G HA2 -0.279 1.634 3.960 -3.413 0.000 0.227 431 G HA3 -0.279 1.634 3.960 -3.413 0.000 0.227 431 G C 0.782 175.668 174.900 -0.023 0.000 0.986 431 G CA 0.386 45.487 45.100 0.001 0.000 0.651 431 G HN 0.256 nan 8.290 nan 0.000 0.523 432 K N -0.220 120.140 120.400 -0.066 0.000 2.296 432 K HA 0.253 2.526 4.320 -3.413 0.000 0.200 432 K C 2.327 178.853 176.600 -0.123 0.000 1.048 432 K CA 1.240 57.480 56.287 -0.077 0.000 0.966 432 K CB 0.138 32.592 32.500 -0.077 0.000 0.754 432 K HN 0.355 nan 8.250 nan 0.000 0.466 433 V N -0.005 119.778 119.914 -0.218 0.000 2.374 433 V HA -0.095 1.978 4.120 -3.413 0.000 0.241 433 V C 1.411 177.282 176.094 -0.371 0.000 1.034 433 V CA 1.423 63.475 62.300 -0.414 0.000 1.037 433 V CB -0.229 31.166 31.823 -0.713 0.000 0.682 433 V HN 0.117 nan 8.190 nan 0.000 0.463 434 F N -0.219 119.733 119.950 0.004 0.000 2.749 434 F HA 0.371 2.848 4.527 -3.416 0.000 0.300 434 F C 0.880 176.689 175.800 0.015 0.000 1.103 434 F CA -0.772 57.237 58.000 0.016 0.000 1.342 434 F CB -0.582 38.435 39.000 0.029 0.000 1.098 434 F HN 0.007 nan 8.300 nan 0.000 0.586 435 K N 0.905 121.390 120.400 0.141 0.000 4.361 435 K HA -0.180 2.092 4.320 -3.413 0.000 0.294 435 K C 0.137 176.795 176.600 0.098 0.000 0.970 435 K CA 0.769 57.109 56.287 0.087 0.000 0.913 435 K CB -1.481 31.057 32.500 0.064 0.000 1.583 435 K HN 0.308 nan 8.250 nan 0.000 0.438 436 T N -1.284 113.329 114.554 0.097 0.000 2.919 436 T HA 0.530 2.833 4.350 -3.413 0.000 0.282 436 T C 1.053 175.797 174.700 0.073 0.000 1.020 436 T CA -0.886 61.275 62.100 0.101 0.000 0.994 436 T CB 1.200 70.148 68.868 0.134 0.000 1.180 436 T HN 0.247 nan 8.240 nan 0.000 0.566 437 R N 0.147 120.703 120.500 0.093 0.000 2.075 437 R HA 0.217 2.509 4.340 -3.413 0.000 0.220 437 R C 0.530 176.828 176.300 -0.004 0.000 1.118 437 R CA 1.040 57.168 56.100 0.047 0.000 0.986 437 R CB -0.500 29.863 30.300 0.106 0.000 0.884 437 R HN 0.622 nan 8.270 nan 0.000 0.439 438 H N 0.203 119.340 119.070 0.112 0.000 2.600 438 H HA 0.321 2.828 4.556 -3.415 0.000 0.357 438 H C -0.304 175.118 175.328 0.156 0.000 1.106 438 H CA -0.287 55.864 56.048 0.171 0.000 1.193 438 H CB 2.226 32.128 29.762 0.234 0.000 1.594 438 H HN 0.105 nan 8.280 nan 0.000 0.526 439 T N 0.418 115.137 114.554 0.276 0.000 2.901 439 T HA 0.812 3.114 4.350 -3.413 0.000 0.293 439 T C 0.212 175.013 174.700 0.168 0.000 1.084 439 T CA -0.738 61.455 62.100 0.156 0.000 1.008 439 T CB 2.776 71.672 68.868 0.047 0.000 1.170 439 T HN 0.781 nan 8.240 nan 0.000 0.509 440 G N 0.057 108.893 108.800 0.059 0.000 2.322 440 G HA2 0.508 2.421 3.960 -3.413 0.000 0.295 440 G HA3 0.508 2.421 3.960 -3.413 0.000 0.295 440 G C -2.032 172.822 174.900 -0.076 0.000 1.369 440 G CA -0.775 44.334 45.100 0.014 0.000 0.821 440 G HN 1.019 nan 8.290 nan 0.000 0.536 441 M N 0.182 119.728 119.600 -0.089 0.000 2.365 441 M HA 0.702 3.134 4.480 -3.413 0.000 0.287 441 M C -1.399 174.923 176.300 0.036 0.000 1.154 441 M CA -0.738 54.515 55.300 -0.078 0.000 0.941 441 M CB 2.021 34.560 32.600 -0.103 0.000 1.704 441 M HN 1.469 nan 8.290 nan 0.000 0.479 442 A N 2.456 125.287 122.820 0.018 0.000 2.365 442 A HA 0.934 3.207 4.320 -3.413 0.000 0.318 442 A C -0.535 176.917 177.584 -0.221 0.000 1.091 442 A CA -0.489 51.516 52.037 -0.054 0.000 0.763 442 A CB 1.696 20.558 19.000 -0.230 0.000 1.248 442 A HN 0.943 nan 8.150 nan 0.000 0.442 443 G N 0.345 108.716 108.800 -0.716 0.000 2.626 443 G HA2 0.519 2.431 3.960 -3.413 0.000 0.304 443 G HA3 0.519 2.431 3.960 -3.413 0.000 0.304 443 G C -0.972 173.371 174.900 -0.930 0.000 1.385 443 G CA -0.352 43.920 45.100 -1.381 0.000 0.957 443 G HN 0.785 nan 8.290 nan 0.000 0.504 444 V N 4.650 124.085 119.914 -0.799 0.000 2.352 444 V HA 0.101 2.173 4.120 -3.413 0.000 0.253 444 V C 1.423 176.999 176.094 -0.863 0.000 1.083 444 V CA -0.069 61.703 62.300 -0.879 0.000 0.993 444 V CB -0.117 31.051 31.823 -1.090 0.000 1.111 444 V HN 0.776 nan 8.190 nan 0.000 0.490 445 I N 0.938 120.984 120.570 -0.873 0.000 3.081 445 I HA 0.191 2.313 4.170 -3.413 0.000 0.274 445 I C 0.983 176.714 176.117 -0.644 0.000 1.178 445 I CA 0.186 60.987 61.300 -0.831 0.000 1.460 445 I CB -0.447 36.812 38.000 -1.235 0.000 1.137 445 I HN 0.648 nan 8.210 nan 0.000 0.443 446 N N 2.518 120.836 118.700 -0.636 0.000 2.707 446 N HA -0.134 2.558 4.740 -3.413 0.000 0.253 446 N C -2.164 173.215 175.510 -0.219 0.000 0.998 446 N CA -0.093 52.724 53.050 -0.389 0.000 0.751 446 N CB -1.259 36.968 38.487 -0.434 0.000 0.920 446 N HN 0.491 nan 8.380 nan 0.000 0.539 447 P HA 0.324 nan 4.420 nan 0.000 0.275 447 P C 0.541 177.875 177.300 0.057 0.000 1.266 447 P CA 0.070 63.210 63.100 0.067 0.000 0.793 447 P CB 1.262 33.118 31.700 0.259 0.000 1.074 448 G N -1.484 107.365 108.800 0.082 0.000 2.815 448 G HA2 0.395 2.308 3.960 -3.413 0.000 0.305 448 G HA3 0.395 2.308 3.960 -3.413 0.000 0.305 448 G C 0.495 175.340 174.900 -0.090 0.000 1.277 448 G CA 0.071 45.147 45.100 -0.040 0.000 0.795 448 G HN 0.443 nan 8.290 nan 0.000 0.528 449 T N -1.092 113.384 114.554 -0.130 0.000 3.118 449 T HA 0.104 2.406 4.350 -3.413 0.000 0.260 449 T C 0.332 174.943 174.700 -0.149 0.000 1.139 449 T CA 0.576 62.569 62.100 -0.178 0.000 1.085 449 T CB -0.256 68.528 68.868 -0.140 0.000 0.934 449 T HN 0.242 nan 8.240 nan 0.000 0.518 450 D N 1.944 122.301 120.400 -0.072 0.000 2.548 450 D HA 0.070 2.663 4.640 -3.413 0.000 0.231 450 D C 1.263 177.513 176.300 -0.082 0.000 1.142 450 D CA -0.035 53.946 54.000 -0.031 0.000 0.866 450 D CB 0.559 41.388 40.800 0.049 0.000 1.190 450 D HN 0.056 nan 8.370 nan 0.000 0.469 451 R N 2.368 122.845 120.500 -0.040 0.000 2.105 451 R HA -0.161 2.132 4.340 -3.413 0.000 0.239 451 R C 1.049 177.373 176.300 0.041 0.000 1.135 451 R CA 1.517 57.604 56.100 -0.022 0.000 0.967 451 R CB -0.327 29.981 30.300 0.013 0.000 0.861 451 R HN 0.521 nan 8.270 nan 0.000 0.442 452 N N -1.307 117.455 118.700 0.104 0.000 2.314 452 N HA -0.051 2.641 4.740 -3.413 0.000 0.200 452 N C -0.135 175.631 175.510 0.426 0.000 1.135 452 N CA 0.613 53.809 53.050 0.242 0.000 0.835 452 N CB -0.326 38.281 38.487 0.201 0.000 0.989 452 N HN 0.386 nan 8.380 nan 0.000 0.478 453 W N -0.947 120.411 121.300 0.096 0.000 0.884 453 W HA -0.327 2.290 4.660 -3.406 0.000 0.220 453 W C 1.470 178.103 176.519 0.190 0.000 0.927 453 W CA 2.057 59.486 57.345 0.140 0.000 0.352 453 W CB -1.983 27.573 29.460 0.161 0.000 1.923 453 W HN 0.447 nan 8.180 nan 0.000 1.344 454 T N -3.709 111.101 114.554 0.425 0.000 3.040 454 T HA 0.585 2.888 4.350 -3.413 0.000 0.266 454 T C 1.541 176.416 174.700 0.292 0.000 1.005 454 T CA 1.232 63.544 62.100 0.355 0.000 0.906 454 T CB 0.499 69.607 68.868 0.400 0.000 1.082 454 T HN 1.396 nan 8.240 nan 0.000 0.531 455 G N 1.927 110.881 108.800 0.257 0.000 5.356 455 G HA2 -0.326 1.586 3.960 -3.413 0.000 0.309 455 G HA3 -0.326 1.586 3.960 -3.413 0.000 0.309 455 G C -0.015 175.038 174.900 0.255 0.000 1.451 455 G CA 0.167 45.407 45.100 0.234 0.000 0.978 455 G HN 0.940 nan 8.290 nan 0.000 0.771 456 H N 3.811 123.015 119.070 0.223 0.000 2.767 456 H HA 0.455 2.965 4.556 -3.410 0.000 0.316 456 H C -0.954 174.535 175.328 0.268 0.000 1.059 456 H CA -0.986 55.203 56.048 0.236 0.000 1.461 456 H CB 1.644 31.548 29.762 0.236 0.000 1.475 456 H HN 0.138 nan 8.280 nan 0.000 0.531 457 P HA -0.214 nan 4.420 nan 0.000 0.216 457 P C 0.707 178.282 177.300 0.457 0.000 1.150 457 P CA 1.333 64.674 63.100 0.403 0.000 0.843 457 P CB 0.070 31.988 31.700 0.363 0.000 0.787 458 F N -1.456 118.840 119.950 0.578 0.000 2.502 458 F HA -0.087 2.389 4.527 -3.418 0.000 0.298 458 F C 2.150 177.952 175.800 0.003 0.000 1.111 458 F CA 0.671 58.803 58.000 0.220 0.000 1.445 458 F CB -1.024 38.020 39.000 0.074 0.000 1.081 458 F HN -0.262 nan 8.300 nan 0.000 0.558 459 V N -0.294 119.768 119.914 0.246 0.000 2.594 459 V HA -0.302 1.770 4.120 -3.413 0.000 0.253 459 V C 2.100 178.315 176.094 0.202 0.000 1.069 459 V CA 1.655 64.056 62.300 0.169 0.000 1.082 459 V CB -0.705 31.246 31.823 0.214 0.000 0.680 459 V HN 0.375 nan 8.190 nan 0.000 0.469 460 Q N 0.553 120.507 119.800 0.257 0.000 2.135 460 Q HA -0.223 2.069 4.340 -3.413 0.000 0.204 460 Q C 2.461 178.482 176.000 0.035 0.000 0.981 460 Q CA 2.059 58.074 55.803 0.353 0.000 0.856 460 Q CB -0.399 28.647 28.738 0.513 0.000 0.902 460 Q HN 0.817 nan 8.270 nan 0.000 0.425 461 S N -0.163 115.101 115.700 -0.727 0.000 2.399 461 S HA -0.117 2.306 4.470 -3.413 0.000 0.231 461 S C 2.039 176.482 174.600 -0.260 0.000 1.022 461 S CA 1.313 58.676 58.200 -1.394 0.000 0.983 461 S CB -0.194 61.800 63.200 -2.010 0.000 0.803 461 S HN 0.178 nan 8.310 nan 0.000 0.480 462 S N 0.573 116.266 115.700 -0.010 0.000 2.357 462 S HA -0.020 2.403 4.470 -3.413 0.000 0.221 462 S C 1.290 176.067 174.600 0.294 0.000 1.031 462 S CA 0.817 59.084 58.200 0.112 0.000 0.982 462 S CB -0.620 62.579 63.200 -0.002 0.000 0.853 462 S HN 0.773 nan 8.310 nan 0.000 0.458 463 W N 1.914 123.261 121.300 0.077 0.000 2.338 463 W HA -0.190 2.430 4.660 -3.400 0.000 0.304 463 W C 2.031 178.591 176.519 0.070 0.000 1.212 463 W CA 1.021 58.440 57.345 0.123 0.000 1.264 463 W CB -1.229 28.342 29.460 0.185 0.000 1.142 463 W HN 0.393 nan 8.180 nan 0.000 0.512 464 Y N 1.100 121.366 120.300 -0.056 0.000 2.097 464 Y HA -0.196 2.312 4.550 -3.404 0.000 0.282 464 Y C 2.597 178.360 175.900 -0.228 0.000 1.152 464 Y CA 3.431 61.197 58.100 -0.557 0.000 1.136 464 Y CB -1.011 36.972 38.460 -0.795 0.000 0.975 464 Y HN -0.070 nan 8.280 nan 0.000 0.498 465 A N -0.111 122.730 122.820 0.034 0.000 1.902 465 A HA -0.208 2.064 4.320 -3.413 0.000 0.217 465 A C 2.184 179.769 177.584 0.002 0.000 1.181 465 A CA 1.493 53.557 52.037 0.046 0.000 0.623 465 A CB -1.591 17.518 19.000 0.182 0.000 0.818 465 A HN 0.662 nan 8.150 nan 0.000 0.443 466 F N 1.299 121.260 119.950 0.017 0.000 2.065 466 F HA -0.147 4.117 4.527 -0.438 0.000 0.298 466 F C 2.272 177.980 175.800 -0.153 0.000 1.112 466 F CA 1.990 59.889 58.000 -0.167 0.000 1.212 466 F CB -0.831 38.041 39.000 -0.214 0.000 0.975 466 F HN 0.179 nan 8.300 nan 0.000 0.476 467 G N 0.332 108.950 108.800 -0.303 0.000 2.408 467 G HA2 -0.194 1.718 3.960 -3.413 0.000 0.217 467 G HA3 -0.194 1.718 3.960 -3.413 0.000 0.217 467 G C 1.762 176.403 174.900 -0.432 0.000 1.150 467 G CA 0.482 45.339 45.100 -0.405 0.000 0.776 467 G HN 0.202 nan 8.290 nan 0.000 0.542 468 R N 0.083 120.287 120.500 -0.494 0.000 2.083 468 R HA 0.054 2.346 4.340 -3.413 0.000 0.237 468 R C 2.595 178.761 176.300 -0.224 0.000 1.137 468 R CA 1.119 56.973 56.100 -0.410 0.000 0.951 468 R CB -0.824 29.192 30.300 -0.474 0.000 0.851 468 R HN 0.421 nan 8.270 nan 0.000 0.434 469 M N -0.111 119.342 119.600 -0.244 0.000 2.319 469 M HA -0.007 2.425 4.480 -3.413 0.000 0.265 469 M C 2.291 178.475 176.300 -0.193 0.000 1.068 469 M CA 1.410 56.611 55.300 -0.165 0.000 1.118 469 M CB -0.246 32.285 32.600 -0.114 0.000 1.395 469 M HN 0.122 nan 8.290 nan 0.000 0.435 470 A N -0.011 122.579 122.820 -0.383 0.000 1.969 470 A HA -0.192 2.080 4.320 -3.413 0.000 0.218 470 A C 2.010 179.499 177.584 -0.157 0.000 1.169 470 A CA 1.000 52.830 52.037 -0.346 0.000 0.635 470 A CB -0.951 17.705 19.000 -0.574 0.000 0.810 470 A HN 0.792 nan 8.150 nan 0.000 0.445 471 W N 0.256 121.378 121.300 -0.297 0.000 2.441 471 W HA 0.035 2.636 4.660 -3.432 0.000 0.302 471 W C -0.773 175.625 176.519 -0.201 0.000 1.191 471 W CA 1.638 58.839 57.345 -0.240 0.000 1.327 471 W CB 0.158 29.457 29.460 -0.268 0.000 1.128 471 W HN 0.343 nan 8.180 nan 0.000 0.522 472 D N -0.872 119.545 120.400 0.027 0.000 2.386 472 D HA 0.036 2.628 4.640 -3.413 0.000 0.247 472 D C 1.104 177.317 176.300 -0.145 0.000 1.336 472 D CA -0.315 53.620 54.000 -0.109 0.000 0.976 472 D CB 0.187 40.985 40.800 -0.003 0.000 1.257 472 D HN 0.252 nan 8.370 nan 0.000 0.570 473 H N 1.921 120.940 119.070 -0.085 0.000 2.561 473 H HA 0.030 2.534 4.556 -3.420 0.000 0.278 473 H C 0.301 175.597 175.328 -0.054 0.000 1.014 473 H CA 0.478 56.481 56.048 -0.076 0.000 1.211 473 H CB 0.384 30.092 29.762 -0.090 0.000 1.365 473 H HN 0.426 nan 8.280 nan 0.000 0.594 474 Q N 0.791 120.457 119.800 -0.222 0.000 2.392 474 Q HA 0.241 2.533 4.340 -3.413 0.000 0.203 474 Q C 0.415 176.382 176.000 -0.056 0.000 0.917 474 Q CA -0.290 55.455 55.803 -0.097 0.000 0.939 474 Q CB 0.666 29.312 28.738 -0.154 0.000 1.063 474 Q HN 0.455 nan 8.270 nan 0.000 0.516 475 I N 2.327 122.862 120.570 -0.059 0.000 2.683 475 I HA -0.080 2.042 4.170 -3.413 0.000 0.286 475 I C 0.798 176.910 176.117 -0.008 0.000 1.175 475 I CA -0.023 61.258 61.300 -0.031 0.000 1.429 475 I CB 0.639 38.612 38.000 -0.044 0.000 1.371 475 I HN 0.097 nan 8.210 nan 0.000 0.569 476 S N 5.062 120.767 115.700 0.008 0.000 2.617 476 S HA 0.407 2.829 4.470 -3.413 0.000 0.269 476 S C 1.078 175.701 174.600 0.039 0.000 1.292 476 S CA -0.283 57.927 58.200 0.017 0.000 1.010 476 S CB 1.758 64.973 63.200 0.024 0.000 0.944 476 S HN 0.719 nan 8.310 nan 0.000 0.536 477 A N 1.937 124.772 122.820 0.025 0.000 1.940 477 A HA 0.119 2.391 4.320 -3.413 0.000 0.219 477 A C 2.370 180.077 177.584 0.206 0.000 1.176 477 A CA 1.836 53.914 52.037 0.069 0.000 0.631 477 A CB -1.665 17.297 19.000 -0.064 0.000 0.814 477 A HN 1.343 nan 8.150 nan 0.000 0.446 478 A N -1.076 121.818 122.820 0.124 0.000 1.877 478 A HA -0.091 2.181 4.320 -3.413 0.000 0.216 478 A C 2.326 179.974 177.584 0.108 0.000 1.186 478 A CA 2.319 54.423 52.037 0.112 0.000 0.620 478 A CB -1.326 17.716 19.000 0.070 0.000 0.822 478 A HN 0.419 nan 8.150 nan 0.000 0.443 479 T N 0.292 114.902 114.554 0.094 0.000 2.684 479 T HA -0.055 2.247 4.350 -3.413 0.000 0.267 479 T C 2.210 176.987 174.700 0.129 0.000 1.036 479 T CA 1.752 63.908 62.100 0.094 0.000 1.148 479 T CB -0.468 68.438 68.868 0.064 0.000 0.863 479 T HN 0.600 nan 8.240 nan 0.000 0.436 480 A N 1.219 124.133 122.820 0.157 0.000 1.933 480 A HA 0.192 2.464 4.320 -3.413 0.000 0.218 480 A C 2.602 180.343 177.584 0.262 0.000 1.175 480 A CA 1.765 53.953 52.037 0.252 0.000 0.628 480 A CB -0.970 18.167 19.000 0.228 0.000 0.814 480 A HN 0.507 nan 8.150 nan 0.000 0.444 481 A N -0.332 122.590 122.820 0.170 0.000 1.930 481 A HA -0.190 2.082 4.320 -3.413 0.000 0.217 481 A C 1.965 179.616 177.584 0.111 0.000 1.175 481 A CA 1.737 53.784 52.037 0.018 0.000 0.627 481 A CB -0.558 18.366 19.000 -0.127 0.000 0.815 481 A HN 0.589 nan 8.150 nan 0.000 0.443 482 D N -0.356 120.108 120.400 0.107 0.000 2.097 482 D HA -0.179 2.414 4.640 -3.413 0.000 0.195 482 D C 1.806 178.165 176.300 0.098 0.000 0.989 482 D CA 1.624 55.684 54.000 0.100 0.000 0.827 482 D CB -0.062 40.796 40.800 0.097 0.000 0.966 482 D HN 0.638 nan 8.370 nan 0.000 0.456 483 E N -0.315 119.948 120.200 0.104 0.000 2.038 483 E HA -0.192 2.110 4.350 -3.413 0.000 0.195 483 E C 1.941 178.467 176.600 -0.123 0.000 1.000 483 E CA 1.062 57.492 56.400 0.051 0.000 0.803 483 E CB -0.383 29.394 29.700 0.129 0.000 0.750 483 E HN 0.414 nan 8.360 nan 0.000 0.448 484 W N 1.596 122.617 121.300 -0.465 0.000 2.358 484 W HA -0.161 2.466 4.660 -3.389 0.000 0.303 484 W C 1.772 178.129 176.519 -0.269 0.000 1.208 484 W CA 1.320 58.247 57.345 -0.696 0.000 1.274 484 W CB -0.227 28.798 29.460 -0.724 0.000 1.138 484 W HN -0.032 nan 8.180 nan 0.000 0.515 485 L N 0.269 121.484 121.223 -0.014 0.000 2.046 485 L HA -0.197 2.095 4.340 -3.413 0.000 0.208 485 L C 2.736 179.609 176.870 0.005 0.000 1.077 485 L CA 1.641 56.509 54.840 0.046 0.000 0.747 485 L CB -0.829 41.392 42.059 0.271 0.000 0.896 485 L HN -0.080 nan 8.230 nan 0.000 0.432 486 R N -0.421 120.077 120.500 -0.003 0.000 2.091 486 R HA -0.166 2.126 4.340 -3.413 0.000 0.238 486 R C 2.261 178.499 176.300 -0.103 0.000 1.136 486 R CA 1.588 57.682 56.100 -0.010 0.000 0.959 486 R CB -0.327 29.990 30.300 0.030 0.000 0.856 486 R HN 0.335 nan 8.270 nan 0.000 0.437 487 M N -0.811 118.670 119.600 -0.200 0.000 2.254 487 M HA -0.060 2.373 4.480 -3.413 0.000 0.265 487 M C 1.726 177.809 176.300 -0.362 0.000 1.066 487 M CA 1.406 56.572 55.300 -0.222 0.000 1.123 487 M CB 0.183 32.661 32.600 -0.204 0.000 1.388 487 M HN 0.071 nan 8.290 nan 0.000 0.425 488 T N -0.984 113.198 114.554 -0.621 0.000 3.031 488 T HA 0.138 2.440 4.350 -3.413 0.000 0.254 488 T C 0.902 175.080 174.700 -0.870 0.000 1.060 488 T CA 0.832 62.383 62.100 -0.915 0.000 1.135 488 T CB 0.174 68.034 68.868 -1.681 0.000 0.896 488 T HN 0.154 nan 8.240 nan 0.000 0.472 489 F N 0.186 119.925 119.950 -0.351 0.000 2.347 489 F HA 0.524 3.002 4.527 -3.415 0.000 0.266 489 F C 0.761 176.361 175.800 -0.333 0.000 0.884 489 F CA -0.372 57.457 58.000 -0.286 0.000 1.123 489 F CB 0.506 39.385 39.000 -0.202 0.000 1.098 489 F HN -0.040 nan 8.300 nan 0.000 0.803 490 S N -0.698 114.949 115.700 -0.088 0.000 2.580 490 S HA 0.266 2.688 4.470 -3.413 0.000 0.281 490 S C -0.777 173.817 174.600 -0.010 0.000 1.129 490 S CA -0.667 57.438 58.200 -0.157 0.000 0.862 490 S CB 0.686 63.584 63.200 -0.504 0.000 1.090 490 S HN 0.181 nan 8.310 nan 0.000 0.451 491 N N 1.756 120.450 118.700 -0.010 0.000 2.270 491 N HA 0.059 2.751 4.740 -3.413 0.000 0.198 491 N C -0.479 175.036 175.510 0.009 0.000 1.117 491 N CA -0.011 53.051 53.050 0.021 0.000 0.845 491 N CB 0.297 38.794 38.487 0.017 0.000 0.980 491 N HN 0.549 nan 8.380 nan 0.000 0.486 492 Q N 1.434 121.221 119.800 -0.023 0.000 2.271 492 Q HA 0.070 2.363 4.340 -3.413 0.000 0.273 492 Q C -1.371 174.587 176.000 -0.070 0.000 1.051 492 Q CA -1.162 54.599 55.803 -0.070 0.000 0.901 492 Q CB 0.983 29.609 28.738 -0.186 0.000 1.174 492 Q HN 0.181 nan 8.270 nan 0.000 0.385 493 P HA -0.181 nan 4.420 nan 0.000 0.218 493 P C 0.770 178.018 177.300 -0.085 0.000 1.148 493 P CA 1.464 64.536 63.100 -0.047 0.000 0.822 493 P CB 0.198 31.880 31.700 -0.030 0.000 0.784 494 A N -1.444 121.296 122.820 -0.133 0.000 2.067 494 A HA -0.139 2.133 4.320 -3.413 0.000 0.219 494 A C 2.010 179.444 177.584 -0.251 0.000 1.158 494 A CA 1.009 52.959 52.037 -0.145 0.000 0.661 494 A CB -1.556 17.410 19.000 -0.057 0.000 0.801 494 A HN 0.200 nan 8.150 nan 0.000 0.452 495 F N 0.188 119.787 119.950 -0.585 0.000 2.220 495 F HA 0.052 2.531 4.527 -3.415 0.000 0.290 495 F C 1.889 177.573 175.800 -0.193 0.000 1.080 495 F CA 0.771 58.470 58.000 -0.502 0.000 1.318 495 F CB -0.045 38.546 39.000 -0.682 0.000 1.063 495 F HN 0.079 nan 8.300 nan 0.000 0.498 496 I N 0.882 121.371 120.570 -0.135 0.000 2.127 496 I HA -0.268 1.854 4.170 -3.413 0.000 0.241 496 I C 2.356 178.368 176.117 -0.175 0.000 1.075 496 I CA 1.833 63.052 61.300 -0.134 0.000 1.334 496 I CB -1.288 36.725 38.000 0.022 0.000 1.040 496 I HN 0.267 nan 8.210 nan 0.000 0.405 497 E N 1.698 121.825 120.200 -0.122 0.000 2.023 497 E HA -0.175 2.127 4.350 -3.413 0.000 0.196 497 E C -0.629 175.911 176.600 -0.100 0.000 1.003 497 E CA 2.063 58.414 56.400 -0.083 0.000 0.809 497 E CB -1.156 28.513 29.700 -0.052 0.000 0.755 497 E HN 0.278 nan 8.360 nan 0.000 0.449 498 P HA -0.104 nan 4.420 nan 0.000 0.217 498 P C 1.423 178.654 177.300 -0.114 0.000 1.151 498 P CA 1.120 64.164 63.100 -0.093 0.000 0.828 498 P CB 0.049 31.705 31.700 -0.073 0.000 0.788 499 V N 1.010 120.779 119.914 -0.242 0.000 2.453 499 V HA -0.181 1.892 4.120 -3.413 0.000 0.247 499 V C 2.871 178.924 176.094 -0.068 0.000 1.048 499 V CA 1.843 64.028 62.300 -0.192 0.000 1.049 499 V CB -1.220 30.310 31.823 -0.489 0.000 0.672 499 V HN 0.137 nan 8.190 nan 0.000 0.457 500 K N -0.201 120.149 120.400 -0.082 0.000 2.026 500 K HA -0.227 2.045 4.320 -3.413 0.000 0.208 500 K C 2.336 178.934 176.600 -0.003 0.000 1.048 500 K CA 1.487 57.763 56.287 -0.019 0.000 0.929 500 K CB -0.106 32.387 32.500 -0.012 0.000 0.713 500 K HN 0.327 nan 8.250 nan 0.000 0.439 501 Q N 0.388 120.180 119.800 -0.014 0.000 2.084 501 Q HA -0.198 2.094 4.340 -3.413 0.000 0.202 501 Q C 2.035 178.035 176.000 -0.001 0.000 0.978 501 Q CA 1.634 57.437 55.803 -0.001 0.000 0.844 501 Q CB -0.336 28.398 28.738 -0.006 0.000 0.898 501 Q HN 0.490 nan 8.270 nan 0.000 0.426 502 M N -0.379 119.213 119.600 -0.013 0.000 2.080 502 M HA -0.203 2.229 4.480 -3.413 0.000 0.260 502 M C 2.040 178.317 176.300 -0.039 0.000 1.068 502 M CA 1.481 56.766 55.300 -0.026 0.000 1.109 502 M CB -0.037 32.546 32.600 -0.028 0.000 1.342 502 M HN 0.195 nan 8.290 nan 0.000 0.405 503 M N 0.058 119.646 119.600 -0.020 0.000 2.117 503 M HA -0.224 2.209 4.480 -3.413 0.000 0.262 503 M C 1.998 178.374 176.300 0.128 0.000 1.065 503 M CA 1.536 56.843 55.300 0.011 0.000 1.114 503 M CB -0.452 32.099 32.600 -0.082 0.000 1.361 503 M HN 0.335 nan 8.290 nan 0.000 0.408 504 L N -0.955 120.332 121.223 0.107 0.000 2.201 504 L HA -0.139 2.153 4.340 -3.413 0.000 0.212 504 L C 2.197 179.079 176.870 0.021 0.000 1.105 504 L CA 0.553 55.452 54.840 0.097 0.000 0.775 504 L CB -0.450 41.651 42.059 0.070 0.000 0.913 504 L HN 0.133 nan 8.230 nan 0.000 0.440 505 V N -0.724 119.193 119.914 0.005 0.000 3.052 505 V HA -0.138 1.934 4.120 -3.413 0.000 0.254 505 V C 2.529 178.607 176.094 -0.027 0.000 1.100 505 V CA 1.332 63.625 62.300 -0.012 0.000 1.112 505 V CB 0.292 32.112 31.823 -0.004 0.000 0.738 505 V HN 0.584 nan 8.190 nan 0.000 0.469 506 S N 0.804 116.484 115.700 -0.034 0.000 2.383 506 S HA -0.278 2.145 4.470 -3.413 0.000 0.229 506 S C 2.144 176.704 174.600 -0.067 0.000 1.030 506 S CA 1.346 59.517 58.200 -0.049 0.000 1.002 506 S CB -0.469 62.681 63.200 -0.083 0.000 0.829 506 S HN 0.499 nan 8.310 nan 0.000 0.467 507 R N 1.573 121.996 120.500 -0.127 0.000 2.070 507 R HA -0.070 2.223 4.340 -3.413 0.000 0.233 507 R C 2.255 178.537 176.300 -0.029 0.000 1.137 507 R CA 2.178 58.180 56.100 -0.164 0.000 0.945 507 R CB -0.976 29.147 30.300 -0.295 0.000 0.845 507 R HN 0.527 nan 8.270 nan 0.000 0.430 508 E N 0.222 120.388 120.200 -0.058 0.000 2.110 508 E HA -0.080 2.222 4.350 -3.413 0.000 0.193 508 E C 1.759 178.305 176.600 -0.089 0.000 0.988 508 E CA 1.548 57.913 56.400 -0.058 0.000 0.804 508 E CB -0.261 29.411 29.700 -0.046 0.000 0.745 508 E HN 0.427 nan 8.360 nan 0.000 0.458 509 A N 0.034 122.817 122.820 -0.061 0.000 1.908 509 A HA -0.116 2.156 4.320 -3.413 0.000 0.218 509 A C 2.459 179.858 177.584 -0.308 0.000 1.181 509 A CA 1.858 53.870 52.037 -0.042 0.000 0.627 509 A CB -1.320 17.728 19.000 0.080 0.000 0.818 509 A HN 0.408 nan 8.150 nan 0.000 0.445 510 G N -0.874 107.716 108.800 -0.349 0.000 2.432 510 G HA2 -0.047 1.865 3.960 -3.413 0.000 0.219 510 G HA3 -0.047 1.865 3.960 -3.413 0.000 0.219 510 G C 1.459 175.908 174.900 -0.752 0.000 1.135 510 G CA 1.173 45.853 45.100 -0.699 0.000 0.767 510 G HN 0.326 nan 8.290 nan 0.000 0.550 511 V N 1.175 120.848 119.914 -0.402 0.000 2.283 511 V HA -0.190 1.883 4.120 -3.413 0.000 0.243 511 V C 2.514 178.333 176.094 -0.458 0.000 1.039 511 V CA 2.091 64.164 62.300 -0.377 0.000 1.016 511 V CB -0.782 30.928 31.823 -0.188 0.000 0.650 511 V HN 0.427 nan 8.190 nan 0.000 0.449 512 N N -0.081 118.393 118.700 -0.378 0.000 2.104 512 N HA -0.228 2.464 4.740 -3.413 0.000 0.190 512 N C 1.785 177.060 175.510 -0.392 0.000 1.024 512 N CA 1.895 54.740 53.050 -0.342 0.000 0.853 512 N CB -0.280 38.101 38.487 -0.176 0.000 1.008 512 N HN 0.811 nan 8.380 nan 0.000 0.424 513 Y N -0.423 119.715 120.300 -0.271 0.000 2.529 513 Y HA 0.313 2.816 4.550 -3.411 0.000 0.290 513 Y C 1.653 177.513 175.900 -0.067 0.000 1.177 513 Y CA -0.113 57.919 58.100 -0.114 0.000 1.305 513 Y CB -0.035 38.380 38.460 -0.074 0.000 1.047 513 Y HN -0.086 nan 8.280 nan 0.000 0.522 514 R N 0.517 120.764 120.500 -0.422 0.000 2.144 514 R HA 0.273 2.565 4.340 -3.413 0.000 0.195 514 R C -0.195 176.030 176.300 -0.125 0.000 1.077 514 R CA 0.982 56.790 56.100 -0.487 0.000 1.120 514 R CB 0.364 29.945 30.300 -1.199 0.000 1.060 514 R HN 0.299 nan 8.270 nan 0.000 0.520 515 S N 0.601 116.080 115.700 -0.367 0.000 2.849 515 S HA 0.238 2.660 4.470 -3.413 0.000 0.141 515 S C -2.846 171.563 174.600 -0.318 0.000 1.109 515 S CA -1.204 56.852 58.200 -0.240 0.000 1.106 515 S CB 1.521 64.615 63.200 -0.176 0.000 1.637 515 S HN -0.054 nan 8.310 nan 0.000 0.457 516 P HA 0.521 nan 4.420 nan 0.000 0.279 516 P C 0.664 177.832 177.300 -0.220 0.000 1.276 516 P CA -0.403 62.511 63.100 -0.309 0.000 0.801 516 P CB 0.431 31.909 31.700 -0.370 0.000 1.127 517 L N -2.022 119.109 121.223 -0.153 0.000 4.429 517 L HA -0.298 1.994 4.340 -3.413 0.000 0.422 517 L C 1.167 177.948 176.870 -0.148 0.000 1.149 517 L CA 0.693 55.463 54.840 -0.118 0.000 0.972 517 L CB -2.547 39.446 42.059 -0.110 0.000 2.059 517 L HN 0.864 nan 8.230 nan 0.000 0.870 518 G N -1.186 107.506 108.800 -0.179 0.000 2.194 518 G HA2 -0.260 1.652 3.960 -3.413 0.000 0.236 518 G HA3 -0.260 1.652 3.960 -3.413 0.000 0.236 518 G C 0.274 174.746 174.900 -0.713 0.000 0.987 518 G CA 0.158 45.029 45.100 -0.382 0.000 0.635 518 G HN 0.242 nan 8.290 nan 0.000 0.520 519 L N 0.505 121.481 121.223 -0.412 0.000 2.482 519 L HA 0.599 2.892 4.340 -3.413 0.000 0.273 519 L C 0.916 177.547 176.870 -0.398 0.000 1.228 519 L CA 1.023 55.665 54.840 -0.331 0.000 0.827 519 L CB 1.086 43.072 42.059 -0.123 0.000 1.099 519 L HN 0.268 nan 8.230 nan 0.000 0.494 520 T N -0.736 113.637 114.554 -0.301 0.000 2.775 520 T HA 0.191 2.493 4.350 -3.413 0.000 0.320 520 T C -0.433 174.205 174.700 -0.104 0.000 1.597 520 T CA -0.448 61.486 62.100 -0.277 0.000 1.022 520 T CB 0.571 69.093 68.868 -0.578 0.000 1.485 520 T HN 0.791 nan 8.240 nan 0.000 0.494 521 H N 1.800 120.736 119.070 -0.224 0.000 2.756 521 H HA -0.101 2.407 4.556 -3.414 0.000 0.315 521 H C 0.052 175.376 175.328 -0.006 0.000 1.210 521 H CA 1.025 56.960 56.048 -0.189 0.000 1.150 521 H CB -1.146 28.187 29.762 -0.715 0.000 1.463 521 H HN 0.477 nan 8.280 nan 0.000 0.427 522 L N 0.430 121.630 121.223 -0.038 0.000 2.700 522 L HA 0.128 2.420 4.340 -3.413 0.000 0.234 522 L C 0.655 177.388 176.870 -0.229 0.000 1.156 522 L CA -0.082 54.717 54.840 -0.067 0.000 0.946 522 L CB -0.089 41.983 42.059 0.021 0.000 1.216 522 L HN 0.100 nan 8.230 nan 0.000 0.493 523 Y N 0.119 120.404 120.300 -0.025 0.000 2.314 523 Y HA 0.070 2.574 4.550 -3.409 0.000 0.334 523 Y C 1.363 177.222 175.900 -0.067 0.000 1.266 523 Y CA 0.023 58.139 58.100 0.027 0.000 1.391 523 Y CB 0.627 39.176 38.460 0.149 0.000 1.306 523 Y HN -0.126 nan 8.280 nan 0.000 0.558 524 S N 2.389 118.138 115.700 0.081 0.000 2.546 524 S HA 0.001 2.423 4.470 -3.413 0.000 0.290 524 S C -0.455 174.273 174.600 0.213 0.000 1.290 524 S CA -0.736 57.505 58.200 0.068 0.000 1.069 524 S CB -0.005 63.227 63.200 0.053 0.000 0.846 524 S HN 0.450 nan 8.310 nan 0.000 0.495 525 Q N 3.051 122.944 119.800 0.156 0.000 2.245 525 Q HA 0.416 2.708 4.340 -3.413 0.000 0.256 525 Q C 0.818 176.866 176.000 0.080 0.000 0.942 525 Q CA -0.244 55.652 55.803 0.155 0.000 0.896 525 Q CB 1.660 30.524 28.738 0.212 0.000 1.272 525 Q HN 0.882 nan 8.270 nan 0.000 0.442 526 G N 1.186 109.982 108.800 -0.007 0.000 3.277 526 G HA2 -0.065 1.848 3.960 -3.413 0.000 0.243 526 G HA3 -0.065 1.848 3.960 -3.413 0.000 0.243 526 G C 0.619 175.227 174.900 -0.487 0.000 1.107 526 G CA -0.025 44.956 45.100 -0.197 0.000 0.771 526 G HN 0.669 nan 8.290 nan 0.000 0.544 527 D N 0.321 120.612 120.400 -0.182 0.000 2.234 527 D HA -0.141 2.452 4.640 -3.413 0.000 0.205 527 D C 0.573 176.959 176.300 0.144 0.000 0.962 527 D CA 0.670 54.675 54.000 0.010 0.000 0.855 527 D CB -0.412 40.488 40.800 0.166 0.000 0.951 527 D HN 0.319 nan 8.370 nan 0.000 0.500 528 H N -1.615 117.615 119.070 0.268 0.000 3.047 528 H HA -0.230 2.277 4.556 -3.414 0.000 0.263 528 H C 0.607 176.115 175.328 0.299 0.000 1.168 528 H CA 0.901 57.102 56.048 0.256 0.000 1.152 528 H CB -2.594 27.154 29.762 -0.024 0.000 1.278 528 H HN 0.387 nan 8.280 nan 0.000 0.339 529 Y N 0.992 121.348 120.300 0.093 0.000 2.243 529 Y HA 0.264 2.765 4.550 -3.416 0.000 0.293 529 Y C 1.781 177.667 175.900 -0.023 0.000 1.124 529 Y CA 1.486 59.327 58.100 -0.432 0.000 1.159 529 Y CB 0.263 38.324 38.460 -0.665 0.000 1.008 529 Y HN 0.333 nan 8.280 nan 0.000 0.527 530 G N -0.561 108.206 108.800 -0.055 0.000 3.013 530 G HA2 0.457 2.369 3.960 -3.413 0.000 0.278 530 G HA3 0.457 2.369 3.960 -3.413 0.000 0.278 530 G C -2.907 171.449 174.900 -0.906 0.000 1.353 530 G CA -1.777 43.049 45.100 -0.457 0.000 1.043 530 G HN -0.110 nan 8.290 nan 0.000 0.523 531 P HA 0.397 nan 4.420 nan 0.000 0.276 531 P C -0.691 176.004 177.300 -1.010 0.000 1.230 531 P CA -0.012 62.066 63.100 -1.703 0.000 0.776 531 P CB 1.769 32.563 31.700 -1.510 0.000 0.888 532 A N 4.891 127.082 122.820 -1.049 0.000 3.474 532 A HA 0.347 2.619 4.320 -3.413 0.000 0.251 532 A C -1.787 174.926 177.584 -1.452 0.000 1.062 532 A CA -0.771 50.371 52.037 -1.491 0.000 0.945 532 A CB 0.439 19.012 19.000 -0.712 0.000 1.296 532 A HN 0.306 nan 8.150 nan 0.000 0.592 533 P HA -0.115 nan 4.420 nan 0.000 0.230 533 P C 0.866 177.581 177.300 -0.975 0.000 1.158 533 P CA 0.826 63.379 63.100 -0.912 0.000 0.769 533 P CB -0.274 30.899 31.700 -0.879 0.000 0.807 534 W N -0.344 120.431 121.300 -0.874 0.000 3.047 534 W HA 0.230 2.844 4.660 -3.410 0.000 0.250 534 W C 0.105 176.555 176.519 -0.115 0.000 1.314 534 W CA -0.242 56.752 57.345 -0.585 0.000 1.540 534 W CB -2.109 27.117 29.460 -0.390 0.000 1.127 534 W HN -0.316 nan 8.180 nan 0.000 0.679 535 T N 3.077 117.544 114.554 -0.147 0.000 2.822 535 T HA 0.028 2.330 4.350 -3.413 0.000 0.288 535 T C -0.317 174.485 174.700 0.170 0.000 0.991 535 T CA 0.840 62.989 62.100 0.083 0.000 1.176 535 T CB 0.167 69.054 68.868 0.032 0.000 0.951 535 T HN 0.134 nan 8.240 nan 0.000 0.526 536 D N 0.904 121.425 120.400 0.201 0.000 2.752 536 D HA 0.221 2.813 4.640 -3.413 0.000 0.313 536 D C -0.992 175.408 176.300 0.167 0.000 1.225 536 D CA -0.527 53.584 54.000 0.185 0.000 0.976 536 D CB 1.340 42.251 40.800 0.185 0.000 1.443 536 D HN 0.428 nan 8.370 nan 0.000 0.515 537 D N 0.342 120.826 120.400 0.141 0.000 2.735 537 D HA -0.186 2.407 4.640 -3.413 0.000 0.235 537 D C -0.242 176.132 176.300 0.124 0.000 1.175 537 D CA 0.698 54.768 54.000 0.117 0.000 0.683 537 D CB -1.106 39.756 40.800 0.103 0.000 1.008 537 D HN 0.261 nan 8.370 nan 0.000 0.416 538 L N -0.363 120.943 121.223 0.137 0.000 2.331 538 L HA 0.319 2.612 4.340 -3.413 0.000 0.268 538 L C -0.835 176.083 176.870 0.080 0.000 1.015 538 L CA -2.010 52.919 54.840 0.147 0.000 0.807 538 L CB 0.813 43.017 42.059 0.242 0.000 1.293 538 L HN -0.220 nan 8.230 nan 0.000 0.451 539 P HA -0.098 nan 4.420 nan 0.000 0.218 539 P C -0.743 176.501 177.300 -0.094 0.000 1.148 539 P CA 1.164 64.245 63.100 -0.031 0.000 0.822 539 P CB 0.120 31.785 31.700 -0.059 0.000 0.784 540 R N -1.468 118.948 120.500 -0.140 0.000 2.480 540 R HA 0.727 3.019 4.340 -3.413 0.000 0.306 540 R C 0.662 176.927 176.300 -0.059 0.000 0.958 540 R CA -0.480 55.508 56.100 -0.188 0.000 0.861 540 R CB 1.319 31.358 30.300 -0.434 0.000 1.171 540 R HN -0.242 nan 8.270 nan 0.000 0.445 541 A N 2.617 125.412 122.820 -0.041 0.000 1.940 541 A HA -0.243 2.030 4.320 -3.413 0.000 0.219 541 A C 1.372 178.809 177.584 -0.245 0.000 1.176 541 A CA 1.842 53.880 52.037 0.002 0.000 0.631 541 A CB -0.579 18.495 19.000 0.124 0.000 0.814 541 A HN 0.942 nan 8.150 nan 0.000 0.446 542 D N -2.502 117.593 120.400 -0.508 0.000 2.378 542 D HA -0.124 2.468 4.640 -3.413 0.000 0.227 542 D C 0.896 177.235 176.300 0.065 0.000 1.012 542 D CA 0.237 53.739 54.000 -0.830 0.000 0.905 542 D CB -0.387 40.071 40.800 -0.570 0.000 0.895 542 D HN 0.583 nan 8.370 nan 0.000 0.532 543 W N 1.470 122.767 121.300 -0.005 0.000 3.220 543 W HA 0.228 2.842 4.660 -3.409 0.000 0.328 543 W C 0.737 177.497 176.519 0.400 0.000 1.205 543 W CA -0.332 57.170 57.345 0.262 0.000 1.773 543 W CB -0.530 29.081 29.460 0.252 0.000 1.086 543 W HN -0.063 nan 8.180 nan 0.000 0.622 544 T N -2.860 111.967 114.554 0.455 0.000 2.810 544 T HA 0.624 2.926 4.350 -3.413 0.000 0.277 544 T C 1.255 176.262 174.700 0.512 0.000 0.973 544 T CA 0.103 62.444 62.100 0.402 0.000 0.949 544 T CB 1.983 71.014 68.868 0.272 0.000 1.075 544 T HN -0.087 nan 8.240 nan 0.000 0.537 545 A N 0.352 123.397 122.820 0.376 0.000 1.924 545 A HA 0.207 2.479 4.320 -3.413 0.000 0.211 545 A C 2.468 180.159 177.584 0.178 0.000 1.198 545 A CA 1.032 53.297 52.037 0.380 0.000 0.657 545 A CB -1.162 17.952 19.000 0.189 0.000 0.852 545 A HN 1.271 nan 8.150 nan 0.000 0.454 546 V N -2.535 117.391 119.914 0.019 0.000 2.490 546 V HA -0.286 1.786 4.120 -3.413 0.000 0.250 546 V C 2.259 178.250 176.094 -0.171 0.000 1.061 546 V CA 2.186 64.299 62.300 -0.313 0.000 1.064 546 V CB -1.513 30.321 31.823 0.017 0.000 0.670 546 V HN 0.542 nan 8.190 nan 0.000 0.461 547 Y N 1.102 121.333 120.300 -0.114 0.000 2.193 547 Y HA -0.263 2.239 4.550 -3.413 0.000 0.285 547 Y C 2.227 178.006 175.900 -0.202 0.000 1.166 547 Y CA 2.256 60.245 58.100 -0.184 0.000 1.181 547 Y CB -0.420 37.867 38.460 -0.289 0.000 0.976 547 Y HN 0.353 nan 8.280 nan 0.000 0.520 548 Y N -1.329 119.113 120.300 0.238 0.000 2.301 548 Y HA -0.065 2.439 4.550 -3.410 0.000 0.295 548 Y C 2.572 178.581 175.900 0.181 0.000 1.119 548 Y CA 1.544 59.764 58.100 0.201 0.000 1.162 548 Y CB -0.633 37.890 38.460 0.104 0.000 1.046 548 Y HN 0.414 nan 8.280 nan 0.000 0.538 549 H N -1.529 117.748 119.070 0.345 0.000 2.465 549 H HA 0.238 2.746 4.556 -3.414 0.000 0.289 549 H C 0.644 176.108 175.328 0.226 0.000 1.022 549 H CA 0.281 56.489 56.048 0.267 0.000 1.340 549 H CB -0.357 29.641 29.762 0.394 0.000 1.437 549 H HN -0.052 nan 8.280 nan 0.000 0.539 550 R N 0.044 120.648 120.500 0.174 0.000 3.516 550 R HA -0.152 2.140 4.340 -3.413 0.000 0.271 550 R C -0.327 176.195 176.300 0.371 0.000 1.098 550 R CA 0.262 56.458 56.100 0.160 0.000 0.732 550 R CB -2.108 28.171 30.300 -0.034 0.000 1.152 550 R HN 0.616 nan 8.270 nan 0.000 0.455 551 A N 1.248 124.474 122.820 0.677 0.000 2.477 551 A HA 0.466 2.738 4.320 -3.413 0.000 0.246 551 A C 0.818 178.653 177.584 0.418 0.000 1.078 551 A CA 0.593 52.956 52.037 0.543 0.000 0.770 551 A CB 0.536 19.940 19.000 0.673 0.000 1.011 551 A HN 0.515 nan 8.150 nan 0.000 0.494 552 S N 1.177 117.098 115.700 0.369 0.000 2.794 552 S HA 0.456 2.878 4.470 -3.413 0.000 0.299 552 S C 0.730 175.550 174.600 0.368 0.000 1.179 552 S CA -0.197 58.178 58.200 0.292 0.000 0.838 552 S CB 1.133 64.459 63.200 0.209 0.000 1.206 552 S HN 0.685 nan 8.310 nan 0.000 0.523 553 K N 0.031 120.571 120.400 0.233 0.000 2.211 553 K HA -0.109 2.163 4.320 -3.413 0.000 0.204 553 K C 1.723 178.511 176.600 0.313 0.000 1.047 553 K CA 2.090 58.496 56.287 0.199 0.000 0.935 553 K CB -0.665 31.889 32.500 0.089 0.000 0.728 553 K HN 0.812 nan 8.250 nan 0.000 0.452 554 T N -3.575 111.144 114.554 0.276 0.000 3.040 554 T HA 0.286 2.588 4.350 -3.413 0.000 0.252 554 T C 0.809 175.550 174.700 0.069 0.000 1.064 554 T CA 0.172 62.405 62.100 0.223 0.000 1.110 554 T CB 0.845 69.792 68.868 0.132 0.000 0.921 554 T HN 0.247 nan 8.240 nan 0.000 0.480 555 G N 0.168 108.864 108.800 -0.173 0.000 2.490 555 G HA2 0.620 2.532 3.960 -3.413 0.000 0.308 555 G HA3 0.620 2.532 3.960 -3.413 0.000 0.308 555 G C -2.262 172.064 174.900 -0.957 0.000 1.286 555 G CA -0.639 43.928 45.100 -0.888 0.000 0.825 555 G HN 0.456 nan 8.290 nan 0.000 0.479 556 I N -1.072 118.759 120.570 -1.231 0.000 2.984 556 I HA 0.662 2.784 4.170 -3.413 0.000 0.303 556 I C -0.101 175.662 176.117 -0.590 0.000 1.381 556 I CA 0.612 61.481 61.300 -0.718 0.000 0.988 556 I CB 2.186 39.684 38.000 -0.836 0.000 1.307 556 I HN 2.155 nan 8.210 nan 0.000 0.460 557 G N 3.617 112.355 108.800 -0.104 0.000 2.440 557 G HA2 0.066 1.979 3.960 -3.413 0.000 0.684 557 G HA3 0.066 1.979 3.960 -3.413 0.000 0.684 557 G C -2.033 172.998 174.900 0.217 0.000 1.309 557 G CA -0.647 44.452 45.100 -0.001 0.000 0.931 557 G HN 0.684 nan 8.290 nan 0.000 0.612 558 F N 1.512 121.447 119.950 -0.024 0.000 2.427 558 F HA 0.638 3.119 4.527 -3.409 0.000 0.348 558 F C 0.119 175.883 175.800 -0.059 0.000 1.125 558 F CA -1.570 56.398 58.000 -0.053 0.000 0.989 558 F CB 1.747 40.687 39.000 -0.100 0.000 1.165 558 F HN 0.502 nan 8.300 nan 0.000 0.442 559 N N 5.274 124.011 118.700 0.062 0.000 2.399 559 N HA 0.147 2.839 4.740 -3.413 0.000 0.259 559 N C 0.164 175.762 175.510 0.147 0.000 1.160 559 N CA 0.272 53.355 53.050 0.055 0.000 0.946 559 N CB 0.274 38.734 38.487 -0.045 0.000 1.156 559 N HN 0.704 nan 8.380 nan 0.000 0.489 560 R N 1.101 121.680 120.500 0.132 0.000 2.509 560 R HA 0.087 2.379 4.340 -3.413 0.000 0.300 560 R C 0.471 176.780 176.300 0.015 0.000 0.985 560 R CA -0.171 55.989 56.100 0.099 0.000 1.092 560 R CB 0.200 30.531 30.300 0.052 0.000 1.237 560 R HN 0.601 nan 8.270 nan 0.000 0.546 561 T N -2.042 112.498 114.554 -0.023 0.000 2.771 561 T HA 0.161 2.463 4.350 -3.413 0.000 0.290 561 T C 1.221 175.919 174.700 -0.003 0.000 1.005 561 T CA -0.556 61.525 62.100 -0.032 0.000 0.944 561 T CB 1.197 70.052 68.868 -0.022 0.000 1.147 561 T HN -0.081 nan 8.240 nan 0.000 0.534 562 K N 0.111 120.512 120.400 0.002 0.000 2.218 562 K HA -0.111 2.161 4.320 -3.413 0.000 0.205 562 K C 2.332 178.936 176.600 0.006 0.000 1.046 562 K CA 1.860 58.151 56.287 0.007 0.000 0.933 562 K CB -0.575 31.931 32.500 0.009 0.000 0.728 562 K HN 0.862 nan 8.250 nan 0.000 0.454 563 T N -2.907 111.651 114.554 0.006 0.000 3.100 563 T HA 0.121 2.423 4.350 -3.413 0.000 0.253 563 T C 1.102 175.792 174.700 -0.017 0.000 1.118 563 T CA 0.283 62.382 62.100 -0.001 0.000 1.058 563 T CB 0.445 69.316 68.868 0.006 0.000 0.953 563 T HN 0.204 nan 8.240 nan 0.000 0.515 564 G N 1.441 110.234 108.800 -0.012 0.000 3.414 564 G HA2 0.374 2.286 3.960 -3.413 0.000 0.189 564 G HA3 0.374 2.286 3.960 -3.413 0.000 0.189 564 G C 1.170 176.073 174.900 0.006 0.000 1.329 564 G CA 0.205 45.289 45.100 -0.026 0.000 0.851 564 G HN 0.338 nan 8.290 nan 0.000 0.671 565 S N -0.374 115.361 115.700 0.058 0.000 2.522 565 S HA -0.029 2.394 4.470 -3.413 0.000 0.227 565 S C 1.274 175.913 174.600 0.066 0.000 0.986 565 S CA 1.147 59.402 58.200 0.091 0.000 0.929 565 S CB -0.261 63.060 63.200 0.202 0.000 0.769 565 S HN 0.740 nan 8.310 nan 0.000 0.529 566 N N 0.700 119.426 118.700 0.043 0.000 2.708 566 N HA -0.217 2.475 4.740 -3.413 0.000 0.249 566 N C 0.692 176.215 175.510 0.022 0.000 1.097 566 N CA 0.788 53.852 53.050 0.023 0.000 0.710 566 N CB -1.621 36.877 38.487 0.019 0.000 1.032 566 N HN 0.643 nan 8.380 nan 0.000 0.551 567 A N -0.341 122.499 122.820 0.032 0.000 2.019 567 A HA -0.024 2.248 4.320 -3.413 0.000 0.219 567 A C 2.241 179.856 177.584 0.052 0.000 1.164 567 A CA 1.227 53.292 52.037 0.048 0.000 0.644 567 A CB -0.298 18.737 19.000 0.059 0.000 0.805 567 A HN 0.450 nan 8.150 nan 0.000 0.449 568 L N -0.874 120.373 121.223 0.040 0.000 2.187 568 L HA -0.231 2.061 4.340 -3.413 0.000 0.213 568 L C 2.888 179.789 176.870 0.052 0.000 1.100 568 L CA 0.924 55.806 54.840 0.071 0.000 0.765 568 L CB -0.487 41.523 42.059 -0.080 0.000 0.904 568 L HN 0.462 nan 8.230 nan 0.000 0.437 569 A N -0.695 122.120 122.820 -0.008 0.000 2.172 569 A HA -0.178 2.094 4.320 -3.413 0.000 0.216 569 A C 2.093 179.620 177.584 -0.094 0.000 1.154 569 A CA 0.978 53.000 52.037 -0.025 0.000 0.701 569 A CB -0.292 18.704 19.000 -0.008 0.000 0.789 569 A HN 0.516 nan 8.150 nan 0.000 0.465 570 Q N -1.660 117.979 119.800 -0.268 0.000 2.435 570 Q HA 0.023 2.315 4.340 -3.413 0.000 0.207 570 Q C -0.500 175.119 176.000 -0.635 0.000 0.956 570 Q CA 0.294 55.645 55.803 -0.753 0.000 0.917 570 Q CB 0.049 28.013 28.738 -1.291 0.000 0.997 570 Q HN 0.772 nan 8.270 nan 0.000 0.497 571 Y N 0.562 120.733 120.300 -0.215 0.000 2.403 571 Y HA 0.260 2.760 4.550 -3.416 0.000 0.323 571 Y C -1.900 173.973 175.900 -0.043 0.000 1.226 571 Y CA -2.960 55.067 58.100 -0.122 0.000 1.235 571 Y CB 0.164 38.484 38.460 -0.234 0.000 1.248 571 Y HN -0.073 nan 8.280 nan 0.000 0.489 572 P HA -0.062 nan 4.420 nan 0.000 0.267 572 P C 0.814 178.127 177.300 0.022 0.000 1.200 572 P CA 0.090 63.269 63.100 0.131 0.000 0.772 572 P CB 0.725 32.533 31.700 0.180 0.000 0.855 573 E N 3.909 124.108 120.200 -0.002 0.000 2.086 573 E HA -0.218 2.085 4.350 -3.413 0.000 0.200 573 E C -0.908 175.606 176.600 -0.143 0.000 1.012 573 E CA 2.388 58.755 56.400 -0.056 0.000 0.812 573 E CB -1.668 28.011 29.700 -0.036 0.000 0.743 573 E HN 0.363 nan 8.360 nan 0.000 0.453 574 P HA -0.119 nan 4.420 nan 0.000 0.218 574 P C 1.555 178.586 177.300 -0.449 0.000 1.148 574 P CA 0.939 63.800 63.100 -0.398 0.000 0.822 574 P CB -0.014 31.241 31.700 -0.742 0.000 0.784 575 I N -0.412 119.900 120.570 -0.430 0.000 2.233 575 I HA -0.134 1.988 4.170 -3.413 0.000 0.243 575 I C 2.242 177.953 176.117 -0.676 0.000 1.093 575 I CA 1.450 62.312 61.300 -0.729 0.000 1.380 575 I CB -1.795 35.753 38.000 -0.754 0.000 1.067 575 I HN -0.090 nan 8.210 nan 0.000 0.413 576 A N 0.900 123.505 122.820 -0.359 0.000 1.917 576 A HA -0.282 1.991 4.320 -3.413 0.000 0.219 576 A C 2.462 179.953 177.584 -0.155 0.000 1.182 576 A CA 2.190 54.099 52.037 -0.212 0.000 0.633 576 A CB -0.633 18.311 19.000 -0.093 0.000 0.819 576 A HN 0.414 nan 8.150 nan 0.000 0.448 577 K N -0.491 119.816 120.400 -0.154 0.000 2.002 577 K HA -0.067 2.206 4.320 -3.413 0.000 0.209 577 K C 2.208 178.771 176.600 -0.061 0.000 1.048 577 K CA 1.266 57.498 56.287 -0.093 0.000 0.930 577 K CB -0.364 32.076 32.500 -0.101 0.000 0.714 577 K HN 0.348 nan 8.250 nan 0.000 0.438 578 A N 0.468 123.212 122.820 -0.126 0.000 1.902 578 A HA -0.148 2.124 4.320 -3.413 0.000 0.217 578 A C 1.678 179.386 177.584 0.207 0.000 1.181 578 A CA 1.306 53.338 52.037 -0.008 0.000 0.623 578 A CB -0.788 18.164 19.000 -0.080 0.000 0.818 578 A HN 0.546 nan 8.150 nan 0.000 0.443 579 W N -0.552 120.687 121.300 -0.102 0.000 2.658 579 W HA 0.212 2.822 4.660 -3.417 0.000 0.263 579 W C 2.296 178.824 176.519 0.016 0.000 1.274 579 W CA 0.110 57.387 57.345 -0.114 0.000 1.343 579 W CB -1.197 27.957 29.460 -0.510 0.000 1.106 579 W HN 0.384 nan 8.180 nan 0.000 0.615 580 G N -0.808 108.102 108.800 0.183 0.000 2.623 580 G HA2 -0.110 1.802 3.960 -3.413 0.000 0.214 580 G HA3 -0.110 1.802 3.960 -3.413 0.000 0.214 580 G C 0.097 175.158 174.900 0.268 0.000 1.138 580 G CA 0.201 45.419 45.100 0.195 0.000 0.794 580 G HN -0.050 nan 8.290 nan 0.000 0.535 581 D N 0.360 120.862 120.400 0.170 0.000 2.280 581 D HA 0.237 2.829 4.640 -3.413 0.000 0.243 581 D C 1.617 177.942 176.300 0.042 0.000 1.129 581 D CA -0.445 53.611 54.000 0.094 0.000 0.848 581 D CB 1.401 42.238 40.800 0.062 0.000 1.107 581 D HN -0.021 nan 8.370 nan 0.000 0.471 582 L N 3.600 124.784 121.223 -0.065 0.000 2.265 582 L HA -0.160 2.132 4.340 -3.413 0.000 0.215 582 L C 1.825 178.688 176.870 -0.013 0.000 1.117 582 L CA 0.572 55.326 54.840 -0.144 0.000 0.782 582 L CB -0.289 41.673 42.059 -0.162 0.000 0.914 582 L HN 0.386 nan 8.230 nan 0.000 0.441 583 N N -0.606 118.106 118.700 0.020 0.000 2.396 583 N HA -0.127 2.566 4.740 -3.413 0.000 0.180 583 N C 1.686 177.228 175.510 0.053 0.000 1.028 583 N CA 1.224 54.297 53.050 0.037 0.000 0.893 583 N CB 0.244 38.751 38.487 0.032 0.000 0.967 583 N HN 0.318 nan 8.380 nan 0.000 0.440 584 S N -2.062 113.681 115.700 0.072 0.000 2.589 584 S HA 0.189 2.611 4.470 -3.413 0.000 0.235 584 S C 0.400 175.097 174.600 0.160 0.000 1.051 584 S CA -0.501 57.761 58.200 0.103 0.000 0.978 584 S CB -0.136 63.122 63.200 0.095 0.000 0.929 584 S HN -0.008 nan 8.310 nan 0.000 0.523 585 V N 4.851 124.868 119.914 0.171 0.000 2.599 585 V HA 0.273 2.345 4.120 -3.413 0.000 0.300 585 V C -2.548 173.630 176.094 0.140 0.000 1.034 585 V CA -1.639 60.794 62.300 0.222 0.000 1.115 585 V CB 0.429 32.402 31.823 0.250 0.000 0.934 585 V HN 0.220 nan 8.190 nan 0.000 0.485 586 P HA 0.174 nan 4.420 nan 0.000 0.271 586 P C 0.510 177.835 177.300 0.042 0.000 1.216 586 P CA 0.035 63.179 63.100 0.074 0.000 0.771 586 P CB 0.514 32.251 31.700 0.061 0.000 0.864 587 E N 1.745 121.970 120.200 0.042 0.000 2.153 587 E HA -0.209 2.093 4.350 -3.413 0.000 0.194 587 E C 1.045 177.648 176.600 0.006 0.000 0.988 587 E CA 1.303 57.719 56.400 0.028 0.000 0.811 587 E CB -0.113 29.606 29.700 0.032 0.000 0.746 587 E HN 0.632 nan 8.360 nan 0.000 0.466 588 D N 0.183 120.588 120.400 0.007 0.000 2.378 588 D HA -0.128 2.464 4.640 -3.413 0.000 0.227 588 D C 1.353 177.660 176.300 0.011 0.000 1.012 588 D CA 0.621 54.620 54.000 -0.002 0.000 0.905 588 D CB -0.091 40.711 40.800 0.004 0.000 0.895 588 D HN 0.239 nan 8.370 nan 0.000 0.532 589 L N -0.366 120.854 121.223 -0.005 0.000 2.858 589 L HA 0.347 2.639 4.340 -3.413 0.000 0.251 589 L C 2.003 178.853 176.870 -0.033 0.000 1.149 589 L CA -0.284 54.562 54.840 0.010 0.000 0.955 589 L CB 0.328 42.264 42.059 -0.204 0.000 1.289 589 L HN -0.066 nan 8.230 nan 0.000 0.542 590 I N 0.651 121.216 120.570 -0.008 0.000 2.208 590 I HA -0.299 1.823 4.170 -3.413 0.000 0.245 590 I C 1.997 178.119 176.117 0.008 0.000 1.097 590 I CA 1.719 63.053 61.300 0.057 0.000 1.363 590 I CB 0.227 38.238 38.000 0.020 0.000 1.051 590 I HN 0.262 nan 8.210 nan 0.000 0.413 591 L N -1.016 120.130 121.223 -0.128 0.000 2.552 591 L HA -0.123 2.170 4.340 -3.413 0.000 0.227 591 L C 1.834 178.539 176.870 -0.274 0.000 1.146 591 L CA 0.412 55.143 54.840 -0.181 0.000 0.858 591 L CB -0.552 41.372 42.059 -0.226 0.000 0.969 591 L HN 0.404 nan 8.230 nan 0.000 0.451 592 W N -0.474 120.531 121.300 -0.492 0.000 2.425 592 W HA -0.140 2.472 4.660 -3.413 0.000 0.277 592 W C 1.680 177.719 176.519 -0.800 0.000 1.231 592 W CA 0.718 57.592 57.345 -0.786 0.000 1.248 592 W CB 0.034 28.627 29.460 -1.445 0.000 1.117 592 W HN 0.089 nan 8.180 nan 0.000 0.568 593 F N -4.017 115.941 119.950 0.014 0.000 2.789 593 F HA 0.209 2.687 4.527 -3.415 0.000 0.320 593 F C 0.486 176.012 175.800 -0.457 0.000 1.079 593 F CA -0.222 57.636 58.000 -0.237 0.000 1.205 593 F CB -0.445 38.355 39.000 -0.333 0.000 1.046 593 F HN -0.283 nan 8.300 nan 0.000 0.586 594 H N -0.842 118.311 119.070 0.138 0.000 2.600 594 H HA 0.282 2.790 4.556 -3.413 0.000 0.357 594 H C -1.100 174.226 175.328 -0.003 0.000 1.106 594 H CA -0.725 55.356 56.048 0.054 0.000 1.193 594 H CB 1.693 31.445 29.762 -0.017 0.000 1.594 594 H HN -0.008 nan 8.280 nan 0.000 0.526 595 H N 3.367 122.447 119.070 0.017 0.000 2.594 595 H HA 0.403 2.911 4.556 -3.413 0.000 0.304 595 H C -0.954 174.312 175.328 -0.103 0.000 1.068 595 H CA -0.319 55.683 56.048 -0.078 0.000 1.308 595 H CB 0.154 29.851 29.762 -0.107 0.000 1.409 595 H HN 0.371 nan 8.280 nan 0.000 0.460 596 L N 3.658 124.560 121.223 -0.535 0.000 2.346 596 L HA 0.308 2.600 4.340 -3.413 0.000 0.274 596 L C 0.288 176.864 176.870 -0.491 0.000 1.007 596 L CA -1.123 53.472 54.840 -0.409 0.000 0.818 596 L CB 1.949 43.770 42.059 -0.397 0.000 1.284 596 L HN 0.584 nan 8.230 nan 0.000 0.424 597 S N 0.823 116.379 115.700 -0.241 0.000 2.558 597 S HA -0.043 2.379 4.470 -3.413 0.000 0.288 597 S C 0.816 175.359 174.600 -0.095 0.000 1.318 597 S CA 0.096 58.211 58.200 -0.142 0.000 1.056 597 S CB 0.279 63.491 63.200 0.020 0.000 0.853 597 S HN 0.531 nan 8.310 nan 0.000 0.505 598 W N 1.888 123.200 121.300 0.020 0.000 2.387 598 W HA -0.066 2.546 4.660 -3.414 0.000 0.272 598 W C 1.660 178.243 176.519 0.105 0.000 1.224 598 W CA 0.358 57.747 57.345 0.073 0.000 1.210 598 W CB -0.009 29.484 29.460 0.054 0.000 1.125 598 W HN 0.685 nan 8.180 nan 0.000 0.572 599 D N -1.743 118.825 120.400 0.280 0.000 2.340 599 D HA -0.081 2.511 4.640 -3.413 0.000 0.220 599 D C 0.618 177.004 176.300 0.143 0.000 1.039 599 D CA 0.495 54.609 54.000 0.189 0.000 0.866 599 D CB -0.562 40.316 40.800 0.131 0.000 0.913 599 D HN 0.222 nan 8.370 nan 0.000 0.523 600 H N 1.971 121.077 119.070 0.060 0.000 3.034 600 H HA 0.021 2.529 4.556 -3.413 0.000 0.324 600 H C 0.095 175.443 175.328 0.034 0.000 1.015 600 H CA 0.439 56.499 56.048 0.020 0.000 1.429 600 H CB 0.545 30.293 29.762 -0.024 0.000 1.429 600 H HN -0.126 nan 8.280 nan 0.000 0.585 601 R N 5.245 125.428 120.500 -0.528 0.000 2.254 601 R HA 0.175 2.467 4.340 -3.413 0.000 0.318 601 R C 0.247 176.302 176.300 -0.408 0.000 1.031 601 R CA -0.732 55.171 56.100 -0.328 0.000 0.905 601 R CB 1.003 31.183 30.300 -0.200 0.000 1.050 601 R HN 0.552 nan 8.270 nan 0.000 0.456 602 M N 1.858 121.365 119.600 -0.156 0.000 2.245 602 M HA 0.115 2.547 4.480 -3.413 0.000 0.292 602 M C 1.596 177.861 176.300 -0.059 0.000 1.176 602 M CA -0.034 55.228 55.300 -0.064 0.000 1.035 602 M CB 0.612 33.217 32.600 0.007 0.000 1.440 602 M HN 0.525 nan 8.290 nan 0.000 0.494 603 Q N 0.457 120.243 119.800 -0.023 0.000 2.152 603 Q HA -0.163 2.129 4.340 -3.413 0.000 0.206 603 Q C 1.812 177.794 176.000 -0.030 0.000 0.985 603 Q CA 2.178 57.969 55.803 -0.020 0.000 0.863 603 Q CB -0.161 28.578 28.738 0.001 0.000 0.904 603 Q HN 0.893 nan 8.270 nan 0.000 0.422 604 S N -1.461 114.216 115.700 -0.039 0.000 2.474 604 S HA 0.016 2.438 4.470 -3.413 0.000 0.235 604 S C 1.530 176.092 174.600 -0.062 0.000 0.997 604 S CA 0.824 58.988 58.200 -0.059 0.000 0.949 604 S CB 0.233 63.376 63.200 -0.095 0.000 0.766 604 S HN 0.578 nan 8.310 nan 0.000 0.517 605 G N 0.879 109.646 108.800 -0.055 0.000 2.232 605 G HA2 -0.231 1.681 3.960 -3.413 0.000 0.226 605 G HA3 -0.231 1.681 3.960 -3.413 0.000 0.226 605 G C 0.216 175.091 174.900 -0.042 0.000 0.996 605 G CA -0.133 44.937 45.100 -0.049 0.000 0.626 605 G HN 0.577 nan 8.290 nan 0.000 0.509 606 R N 1.228 121.702 120.500 -0.045 0.000 2.582 606 R HA 0.407 2.699 4.340 -3.413 0.000 0.271 606 R C 0.907 177.210 176.300 0.006 0.000 1.078 606 R CA 0.112 56.201 56.100 -0.019 0.000 1.127 606 R CB 0.309 30.588 30.300 -0.035 0.000 1.038 606 R HN 0.610 nan 8.270 nan 0.000 0.500 607 N N 1.173 119.905 118.700 0.053 0.000 2.317 607 N HA -0.065 2.627 4.740 -3.413 0.000 0.245 607 N C 0.741 176.345 175.510 0.157 0.000 1.294 607 N CA -0.406 52.706 53.050 0.103 0.000 0.924 607 N CB 0.300 38.880 38.487 0.156 0.000 1.186 607 N HN 0.450 nan 8.380 nan 0.000 0.495 608 L N -0.466 120.902 121.223 0.241 0.000 2.046 608 L HA -0.003 2.289 4.340 -3.413 0.000 0.208 608 L C 1.956 179.069 176.870 0.405 0.000 1.077 608 L CA 1.403 56.412 54.840 0.282 0.000 0.747 608 L CB -0.839 41.371 42.059 0.253 0.000 0.896 608 L HN 0.775 nan 8.230 nan 0.000 0.432 609 W N 0.356 121.882 121.300 0.377 0.000 2.335 609 W HA -0.280 2.333 4.660 -3.412 0.000 0.311 609 W C 2.167 178.738 176.519 0.086 0.000 1.213 609 W CA 1.832 59.285 57.345 0.181 0.000 1.274 609 W CB -0.252 29.154 29.460 -0.090 0.000 1.148 609 W HN 0.315 nan 8.180 nan 0.000 0.498 610 Q N 0.165 119.901 119.800 -0.105 0.000 2.124 610 Q HA -0.285 2.007 4.340 -3.413 0.000 0.202 610 Q C 2.057 177.981 176.000 -0.127 0.000 0.977 610 Q CA 2.204 57.896 55.803 -0.184 0.000 0.850 610 Q CB -0.345 28.403 28.738 0.016 0.000 0.901 610 Q HN 0.230 nan 8.270 nan 0.000 0.429 611 E N 0.833 121.014 120.200 -0.032 0.000 2.072 611 E HA -0.157 2.145 4.350 -3.413 0.000 0.191 611 E C 1.747 178.344 176.600 -0.005 0.000 0.985 611 E CA 0.636 57.043 56.400 0.012 0.000 0.801 611 E CB -0.183 29.536 29.700 0.032 0.000 0.750 611 E HN 0.345 nan 8.360 nan 0.000 0.452 612 L N -0.383 120.808 121.223 -0.054 0.000 1.989 612 L HA -0.179 2.113 4.340 -3.413 0.000 0.211 612 L C 2.161 178.987 176.870 -0.073 0.000 1.071 612 L CA 1.402 56.215 54.840 -0.046 0.000 0.749 612 L CB -0.330 41.740 42.059 0.019 0.000 0.890 612 L HN 0.086 nan 8.230 nan 0.000 0.431 613 V N -0.261 119.424 119.914 -0.381 0.000 2.287 613 V HA -0.368 1.705 4.120 -3.413 0.000 0.248 613 V C 2.479 178.427 176.094 -0.244 0.000 1.053 613 V CA 2.283 64.336 62.300 -0.412 0.000 1.027 613 V CB -1.008 30.326 31.823 -0.815 0.000 0.646 613 V HN 0.674 nan 8.190 nan 0.000 0.447 614 H N 0.435 119.360 119.070 -0.242 0.000 2.352 614 H HA -0.133 2.375 4.556 -3.413 0.000 0.299 614 H C 2.287 177.634 175.328 0.032 0.000 1.097 614 H CA 1.794 57.822 56.048 -0.033 0.000 1.311 614 H CB 0.049 29.846 29.762 0.059 0.000 1.377 614 H HN 0.169 nan 8.280 nan 0.000 0.504 615 K N -0.153 120.252 120.400 0.008 0.000 2.057 615 K HA -0.155 2.118 4.320 -3.413 0.000 0.206 615 K C 2.210 178.735 176.600 -0.124 0.000 1.050 615 K CA 1.457 57.691 56.287 -0.088 0.000 0.935 615 K CB -0.714 31.705 32.500 -0.136 0.000 0.715 615 K HN 0.443 nan 8.250 nan 0.000 0.439 616 Y N -0.188 120.081 120.300 -0.053 0.000 2.181 616 Y HA -0.242 2.261 4.550 -3.412 0.000 0.288 616 Y C 2.324 178.169 175.900 -0.093 0.000 1.146 616 Y CA 1.493 59.564 58.100 -0.049 0.000 1.164 616 Y CB -0.388 38.044 38.460 -0.047 0.000 0.982 616 Y HN 0.086 nan 8.280 nan 0.000 0.515 617 Y N -0.446 119.830 120.300 -0.041 0.000 2.242 617 Y HA -0.280 2.223 4.550 -3.412 0.000 0.291 617 Y C 2.694 178.555 175.900 -0.064 0.000 1.137 617 Y CA 1.599 59.662 58.100 -0.062 0.000 1.181 617 Y CB -0.385 38.006 38.460 -0.116 0.000 0.989 617 Y HN 0.156 nan 8.280 nan 0.000 0.527 618 Q N 0.037 119.819 119.800 -0.030 0.000 2.096 618 Q HA -0.172 2.120 4.340 -3.413 0.000 0.204 618 Q C 2.489 178.486 176.000 -0.005 0.000 0.982 618 Q CA 1.641 57.396 55.803 -0.082 0.000 0.850 618 Q CB -0.543 28.084 28.738 -0.186 0.000 0.901 618 Q HN 0.549 nan 8.270 nan 0.000 0.422 619 G N 0.082 108.894 108.800 0.021 0.000 2.469 619 G HA2 -0.259 1.653 3.960 -3.413 0.000 0.219 619 G HA3 -0.259 1.653 3.960 -3.413 0.000 0.219 619 G C 1.420 176.412 174.900 0.154 0.000 1.150 619 G CA 1.100 46.281 45.100 0.135 0.000 0.763 619 G HN 0.316 nan 8.290 nan 0.000 0.561 620 V N 0.596 120.529 119.914 0.032 0.000 2.343 620 V HA -0.113 1.960 4.120 -3.413 0.000 0.247 620 V C 2.822 178.895 176.094 -0.035 0.000 1.051 620 V CA 1.948 64.197 62.300 -0.084 0.000 1.036 620 V CB -0.272 31.469 31.823 -0.137 0.000 0.654 620 V HN 0.287 nan 8.190 nan 0.000 0.451 621 E N -0.117 120.088 120.200 0.009 0.000 2.153 621 E HA -0.230 2.072 4.350 -3.413 0.000 0.194 621 E C 2.259 178.868 176.600 0.016 0.000 0.988 621 E CA 1.159 57.572 56.400 0.021 0.000 0.811 621 E CB -0.234 29.490 29.700 0.041 0.000 0.746 621 E HN 0.686 nan 8.360 nan 0.000 0.466 622 Q N 0.062 119.875 119.800 0.022 0.000 2.119 622 Q HA -0.081 2.212 4.340 -3.413 0.000 0.201 622 Q C 2.326 178.335 176.000 0.016 0.000 0.972 622 Q CA 1.119 56.936 55.803 0.025 0.000 0.847 622 Q CB 0.066 28.825 28.738 0.035 0.000 0.903 622 Q HN 0.097 nan 8.270 nan 0.000 0.433 623 V N 0.826 120.744 119.914 0.007 0.000 2.343 623 V HA -0.267 1.805 4.120 -3.413 0.000 0.247 623 V C 2.101 178.174 176.094 -0.036 0.000 1.051 623 V CA 1.798 64.078 62.300 -0.034 0.000 1.036 623 V CB -0.460 31.291 31.823 -0.119 0.000 0.654 623 V HN 0.285 nan 8.190 nan 0.000 0.451 624 R N 0.266 120.750 120.500 -0.027 0.000 2.096 624 R HA -0.111 2.181 4.340 -3.413 0.000 0.235 624 R C 2.427 178.734 176.300 0.012 0.000 1.127 624 R CA 1.481 57.576 56.100 -0.009 0.000 0.968 624 R CB -0.600 29.699 30.300 -0.001 0.000 0.861 624 R HN 0.534 nan 8.270 nan 0.000 0.440 625 A N 0.942 123.771 122.820 0.015 0.000 1.930 625 A HA -0.144 2.129 4.320 -3.413 0.000 0.217 625 A C 2.152 179.753 177.584 0.030 0.000 1.175 625 A CA 1.235 53.286 52.037 0.024 0.000 0.627 625 A CB -0.385 18.628 19.000 0.022 0.000 0.815 625 A HN 0.181 nan 8.150 nan 0.000 0.443 626 M N -0.868 118.740 119.600 0.013 0.000 2.117 626 M HA -0.243 2.189 4.480 -3.413 0.000 0.262 626 M C 2.433 178.766 176.300 0.055 0.000 1.065 626 M CA 1.692 56.997 55.300 0.009 0.000 1.114 626 M CB -0.608 31.964 32.600 -0.047 0.000 1.361 626 M HN 0.518 nan 8.290 nan 0.000 0.408 627 Q N -0.033 119.791 119.800 0.041 0.000 2.061 627 Q HA -0.180 2.112 4.340 -3.413 0.000 0.204 627 Q C 2.161 178.239 176.000 0.130 0.000 0.984 627 Q CA 1.493 57.344 55.803 0.079 0.000 0.846 627 Q CB -0.229 28.534 28.738 0.041 0.000 0.902 627 Q HN 0.525 nan 8.270 nan 0.000 0.421 628 R N -0.200 120.355 120.500 0.092 0.000 2.081 628 R HA -0.087 2.206 4.340 -3.413 0.000 0.235 628 R C 2.412 178.778 176.300 0.109 0.000 1.131 628 R CA 1.638 57.793 56.100 0.091 0.000 0.960 628 R CB -0.458 29.879 30.300 0.061 0.000 0.856 628 R HN 0.246 nan 8.270 nan 0.000 0.436 629 T N 0.535 115.154 114.554 0.109 0.000 2.684 629 T HA -0.223 2.079 4.350 -3.413 0.000 0.267 629 T C 1.275 176.085 174.700 0.183 0.000 1.036 629 T CA 1.232 63.400 62.100 0.114 0.000 1.148 629 T CB -0.303 68.619 68.868 0.090 0.000 0.863 629 T HN 0.481 nan 8.240 nan 0.000 0.436 630 W N 2.107 123.430 121.300 0.039 0.000 2.358 630 W HA -0.167 2.448 4.660 -3.409 0.000 0.303 630 W C 1.536 178.210 176.519 0.258 0.000 1.208 630 W CA 1.268 58.669 57.345 0.094 0.000 1.274 630 W CB -0.236 29.214 29.460 -0.016 0.000 1.138 630 W HN 0.264 nan 8.180 nan 0.000 0.515 631 D N 0.120 120.665 120.400 0.242 0.000 2.182 631 D HA -0.222 2.371 4.640 -3.413 0.000 0.201 631 D C 1.965 178.339 176.300 0.122 0.000 0.986 631 D CA 1.517 55.671 54.000 0.256 0.000 0.847 631 D CB -0.580 40.339 40.800 0.198 0.000 0.942 631 D HN 0.413 nan 8.370 nan 0.000 0.467 632 Q N -0.322 119.522 119.800 0.073 0.000 2.515 632 Q HA -0.040 2.252 4.340 -3.413 0.000 0.212 632 Q C 0.946 176.962 176.000 0.027 0.000 0.970 632 Q CA 0.523 56.348 55.803 0.036 0.000 0.941 632 Q CB 0.268 29.041 28.738 0.059 0.000 0.998 632 Q HN 0.215 nan 8.270 nan 0.000 0.518 633 Q N -0.322 119.460 119.800 -0.031 0.000 2.247 633 Q HA 0.024 2.317 4.340 -3.413 0.000 0.204 633 Q C 0.832 176.686 176.000 -0.243 0.000 0.872 633 Q CA 0.154 55.978 55.803 0.035 0.000 0.951 633 Q CB 0.491 29.212 28.738 -0.029 0.000 1.099 633 Q HN 0.443 nan 8.270 nan 0.000 0.501 634 E N 1.315 121.189 120.200 -0.543 0.000 2.130 634 E HA -0.186 2.116 4.350 -3.413 0.000 0.196 634 E C 1.485 177.688 176.600 -0.663 0.000 0.998 634 E CA 1.234 57.007 56.400 -1.045 0.000 0.806 634 E CB 0.197 29.235 29.700 -1.103 0.000 0.738 634 E HN 0.354 nan 8.360 nan 0.000 0.459 635 A N -0.438 122.027 122.820 -0.590 0.000 2.121 635 A HA -0.120 2.153 4.320 -3.413 0.000 0.218 635 A C 1.150 178.366 177.584 -0.613 0.000 1.154 635 A CA 0.875 52.537 52.037 -0.626 0.000 0.679 635 A CB -0.326 18.221 19.000 -0.754 0.000 0.795 635 A HN 0.374 nan 8.150 nan 0.000 0.458 636 Y N -1.578 118.574 120.300 -0.245 0.000 2.458 636 Y HA 0.332 2.835 4.550 -3.412 0.000 0.254 636 Y C 0.442 176.124 175.900 -0.364 0.000 1.120 636 Y CA -0.436 57.483 58.100 -0.302 0.000 1.282 636 Y CB 0.189 38.429 38.460 -0.365 0.000 1.109 636 Y HN -0.008 nan 8.280 nan 0.000 0.526 637 V N 1.942 121.761 119.914 -0.159 0.000 2.715 637 V HA 0.156 2.229 4.120 -3.413 0.000 0.310 637 V C -0.226 175.883 176.094 0.026 0.000 1.054 637 V CA -1.605 60.674 62.300 -0.035 0.000 0.928 637 V CB 1.716 33.555 31.823 0.027 0.000 1.007 637 V HN 0.209 nan 8.190 nan 0.000 0.437 638 D N 3.044 123.513 120.400 0.115 0.000 2.423 638 D HA 0.070 2.662 4.640 -3.413 0.000 0.238 638 D C 1.102 177.501 176.300 0.165 0.000 1.142 638 D CA 0.321 54.382 54.000 0.101 0.000 0.884 638 D CB 1.833 42.697 40.800 0.107 0.000 1.199 638 D HN 0.555 nan 8.370 nan 0.000 0.438 639 A N 2.522 125.410 122.820 0.113 0.000 1.940 639 A HA -0.044 2.228 4.320 -3.413 0.000 0.219 639 A C 2.240 179.969 177.584 0.241 0.000 1.176 639 A CA 2.238 54.370 52.037 0.159 0.000 0.631 639 A CB -0.808 18.243 19.000 0.086 0.000 0.814 639 A HN 0.761 nan 8.150 nan 0.000 0.446 640 A N -0.220 122.714 122.820 0.190 0.000 1.854 640 A HA -0.105 2.167 4.320 -3.413 0.000 0.214 640 A C 2.247 179.969 177.584 0.231 0.000 1.192 640 A CA 1.383 53.527 52.037 0.178 0.000 0.611 640 A CB -0.453 18.625 19.000 0.129 0.000 0.832 640 A HN 0.516 nan 8.150 nan 0.000 0.442 641 R N -1.917 118.753 120.500 0.284 0.000 2.115 641 R HA -0.074 2.218 4.340 -3.413 0.000 0.230 641 R C 1.973 178.566 176.300 0.488 0.000 1.111 641 R CA 1.368 57.691 56.100 0.372 0.000 0.976 641 R CB -0.479 30.104 30.300 0.472 0.000 0.870 641 R HN 0.590 nan 8.270 nan 0.000 0.445 642 F N 1.585 121.774 119.950 0.397 0.000 2.069 642 F HA -0.228 2.252 4.527 -3.412 0.000 0.298 642 F C 2.292 178.366 175.800 0.456 0.000 1.113 642 F CA 1.655 59.937 58.000 0.470 0.000 1.214 642 F CB -0.416 38.683 39.000 0.165 0.000 0.978 642 F HN -0.024 nan 8.300 nan 0.000 0.474 643 A N -0.195 122.782 122.820 0.263 0.000 1.933 643 A HA -0.239 2.033 4.320 -3.413 0.000 0.218 643 A C 2.257 179.870 177.584 0.048 0.000 1.175 643 A CA 1.688 53.800 52.037 0.125 0.000 0.628 643 A CB -1.044 18.070 19.000 0.190 0.000 0.814 643 A HN 0.650 nan 8.150 nan 0.000 0.444 644 Q N -0.162 119.691 119.800 0.088 0.000 2.020 644 Q HA -0.134 2.158 4.340 -3.413 0.000 0.202 644 Q C 1.974 177.940 176.000 -0.058 0.000 0.982 644 Q CA 2.150 57.975 55.803 0.036 0.000 0.838 644 Q CB -0.238 28.542 28.738 0.070 0.000 0.899 644 Q HN 0.378 nan 8.270 nan 0.000 0.423 645 V N 1.587 121.457 119.914 -0.073 0.000 2.332 645 V HA -0.286 1.787 4.120 -3.413 0.000 0.248 645 V C 2.465 178.335 176.094 -0.374 0.000 1.055 645 V CA 2.227 64.326 62.300 -0.335 0.000 1.038 645 V CB -0.730 30.691 31.823 -0.671 0.000 0.651 645 V HN 0.422 nan 8.190 nan 0.000 0.450 646 K N 0.381 120.649 120.400 -0.221 0.000 2.032 646 K HA -0.231 2.041 4.320 -3.413 0.000 0.209 646 K C 2.180 178.731 176.600 -0.082 0.000 1.048 646 K CA 1.827 58.040 56.287 -0.123 0.000 0.927 646 K CB -0.371 32.012 32.500 -0.195 0.000 0.712 646 K HN 0.427 nan 8.250 nan 0.000 0.441 647 A N 1.161 123.945 122.820 -0.061 0.000 1.898 647 A HA -0.099 2.173 4.320 -3.413 0.000 0.216 647 A C 2.137 179.704 177.584 -0.028 0.000 1.181 647 A CA 1.286 53.309 52.037 -0.022 0.000 0.620 647 A CB -0.570 18.431 19.000 0.003 0.000 0.819 647 A HN 0.335 nan 8.150 nan 0.000 0.442 648 L N -0.734 120.450 121.223 -0.065 0.000 2.083 648 L HA -0.150 2.142 4.340 -3.413 0.000 0.209 648 L C 2.484 179.339 176.870 -0.025 0.000 1.083 648 L CA 0.857 55.674 54.840 -0.037 0.000 0.752 648 L CB -0.493 41.482 42.059 -0.140 0.000 0.899 648 L HN 0.357 nan 8.230 nan 0.000 0.433 649 L N -0.762 120.411 121.223 -0.084 0.000 2.131 649 L HA -0.226 2.066 4.340 -3.413 0.000 0.210 649 L C 2.685 179.511 176.870 -0.073 0.000 1.092 649 L CA 1.159 55.943 54.840 -0.093 0.000 0.759 649 L CB -0.378 41.604 42.059 -0.128 0.000 0.903 649 L HN 0.344 nan 8.230 nan 0.000 0.435 650 Q N -0.820 118.955 119.800 -0.043 0.000 2.050 650 Q HA -0.180 2.112 4.340 -3.413 0.000 0.202 650 Q C 2.346 178.330 176.000 -0.026 0.000 0.980 650 Q CA 1.530 57.319 55.803 -0.024 0.000 0.840 650 Q CB -0.224 28.515 28.738 0.002 0.000 0.898 650 Q HN 0.339 nan 8.270 nan 0.000 0.424 651 V N 1.089 121.000 119.914 -0.005 0.000 2.287 651 V HA -0.325 1.747 4.120 -3.413 0.000 0.248 651 V C 2.350 178.409 176.094 -0.059 0.000 1.053 651 V CA 2.210 64.526 62.300 0.027 0.000 1.027 651 V CB -0.701 31.180 31.823 0.097 0.000 0.646 651 V HN 0.428 nan 8.190 nan 0.000 0.447 652 Q N -0.239 119.460 119.800 -0.167 0.000 2.096 652 Q HA -0.276 2.016 4.340 -3.413 0.000 0.204 652 Q C 2.424 178.183 176.000 -0.401 0.000 0.982 652 Q CA 2.045 57.559 55.803 -0.480 0.000 0.850 652 Q CB -0.225 28.260 28.738 -0.421 0.000 0.901 652 Q HN 0.666 nan 8.270 nan 0.000 0.422 653 E N 0.705 120.765 120.200 -0.234 0.000 2.077 653 E HA -0.233 2.069 4.350 -3.413 0.000 0.193 653 E C 2.016 178.518 176.600 -0.163 0.000 0.989 653 E CA 1.145 57.423 56.400 -0.203 0.000 0.800 653 E CB -0.117 29.514 29.700 -0.114 0.000 0.746 653 E HN 0.315 nan 8.360 nan 0.000 0.452 654 R N 0.385 120.831 120.500 -0.090 0.000 2.081 654 R HA -0.115 2.177 4.340 -3.413 0.000 0.235 654 R C 2.259 178.550 176.300 -0.015 0.000 1.131 654 R CA 1.689 57.775 56.100 -0.023 0.000 0.960 654 R CB -0.008 30.308 30.300 0.027 0.000 0.856 654 R HN 0.180 nan 8.270 nan 0.000 0.436 655 E N -0.406 119.774 120.200 -0.034 0.000 2.150 655 E HA -0.144 2.158 4.350 -3.413 0.000 0.193 655 E C 1.863 178.489 176.600 0.043 0.000 0.985 655 E CA 0.959 57.383 56.400 0.041 0.000 0.814 655 E CB -0.011 29.762 29.700 0.121 0.000 0.752 655 E HN 0.433 nan 8.360 nan 0.000 0.466 656 A N 0.869 123.529 122.820 -0.267 0.000 1.930 656 A HA -0.118 2.155 4.320 -3.413 0.000 0.217 656 A C 2.462 179.905 177.584 -0.235 0.000 1.175 656 A CA 0.908 52.580 52.037 -0.609 0.000 0.627 656 A CB -0.528 17.701 19.000 -1.285 0.000 0.815 656 A HN 0.102 nan 8.150 nan 0.000 0.443 657 V N 0.002 119.814 119.914 -0.171 0.000 2.343 657 V HA -0.272 1.800 4.120 -3.413 0.000 0.247 657 V C 2.639 178.689 176.094 -0.073 0.000 1.051 657 V CA 2.366 64.598 62.300 -0.113 0.000 1.036 657 V CB -0.799 30.989 31.823 -0.059 0.000 0.654 657 V HN 0.675 nan 8.190 nan 0.000 0.451 658 R N -1.394 119.106 120.500 0.001 0.000 2.081 658 R HA -0.218 2.074 4.340 -3.413 0.000 0.235 658 R C 2.128 178.362 176.300 -0.111 0.000 1.131 658 R CA 2.204 58.303 56.100 -0.002 0.000 0.960 658 R CB -0.361 29.977 30.300 0.063 0.000 0.856 658 R HN 0.554 nan 8.270 nan 0.000 0.436 659 W N 0.757 121.984 121.300 -0.122 0.000 2.333 659 W HA -0.142 2.472 4.660 -3.409 0.000 0.316 659 W C 2.670 179.100 176.519 -0.148 0.000 1.215 659 W CA 1.877 59.170 57.345 -0.087 0.000 1.278 659 W CB -0.286 29.221 29.460 0.079 0.000 1.154 659 W HN 0.119 nan 8.180 nan 0.000 0.486 660 R N 0.420 120.989 120.500 0.116 0.000 2.094 660 R HA -0.226 2.067 4.340 -3.413 0.000 0.239 660 R C 1.835 177.951 176.300 -0.307 0.000 1.137 660 R CA 2.176 58.218 56.100 -0.097 0.000 0.943 660 R CB -0.791 29.370 30.300 -0.232 0.000 0.850 660 R HN 0.142 nan 8.270 nan 0.000 0.433 661 N N 0.262 118.747 118.700 -0.359 0.000 2.120 661 N HA -0.106 2.586 4.740 -3.413 0.000 0.188 661 N C 1.846 177.047 175.510 -0.516 0.000 1.024 661 N CA 1.724 54.489 53.050 -0.476 0.000 0.852 661 N CB -0.425 37.639 38.487 -0.705 0.000 1.003 661 N HN 0.170 nan 8.380 nan 0.000 0.424 662 S N 0.063 115.444 115.700 -0.532 0.000 2.368 662 S HA -0.089 2.333 4.470 -3.413 0.000 0.225 662 S C 2.267 176.819 174.600 -0.081 0.000 1.030 662 S CA 0.881 58.950 58.200 -0.218 0.000 0.999 662 S CB -0.326 62.789 63.200 -0.140 0.000 0.844 662 S HN 0.451 nan 8.310 nan 0.000 0.459 663 C N 0.674 119.827 119.300 -0.245 0.000 2.486 663 C HA 0.105 2.517 4.460 -3.413 0.000 0.279 663 C C 2.677 177.551 174.990 -0.194 0.000 1.302 663 C CA 0.063 58.897 59.018 -0.306 0.000 1.720 663 C CB -1.166 26.263 27.740 -0.517 0.000 2.030 663 C HN 0.391 nan 8.230 nan 0.000 0.490 664 V N 1.317 121.061 119.914 -0.283 0.000 2.295 664 V HA -0.214 1.858 4.120 -3.413 0.000 0.246 664 V C 2.335 178.515 176.094 0.143 0.000 1.049 664 V CA 1.864 64.138 62.300 -0.042 0.000 1.024 664 V CB -0.649 31.138 31.823 -0.060 0.000 0.648 664 V HN 0.543 nan 8.190 nan 0.000 0.447 665 L N -1.293 119.973 121.223 0.072 0.000 2.083 665 L HA -0.203 2.090 4.340 -3.413 0.000 0.209 665 L C 2.486 179.431 176.870 0.125 0.000 1.083 665 L CA 1.921 56.832 54.840 0.119 0.000 0.752 665 L CB -0.725 41.409 42.059 0.124 0.000 0.899 665 L HN 0.441 nan 8.230 nan 0.000 0.433 666 Y N 0.451 120.760 120.300 0.015 0.000 2.114 666 Y HA -0.264 2.239 4.550 -3.412 0.000 0.284 666 Y C 2.289 178.159 175.900 -0.049 0.000 1.143 666 Y CA 1.402 59.486 58.100 -0.026 0.000 1.135 666 Y CB -0.532 37.872 38.460 -0.094 0.000 0.980 666 Y HN -0.042 nan 8.280 nan 0.000 0.499 667 F N 0.999 120.896 119.950 -0.088 0.000 2.216 667 F HA -0.193 2.285 4.527 -3.414 0.000 0.300 667 F C 2.756 178.438 175.800 -0.198 0.000 1.085 667 F CA 1.769 59.700 58.000 -0.115 0.000 1.326 667 F CB -1.103 38.050 39.000 0.254 0.000 1.027 667 F HN 0.220 nan 8.300 nan 0.000 0.497 668 Q N 0.568 120.424 119.800 0.092 0.000 2.084 668 Q HA -0.216 2.076 4.340 -3.413 0.000 0.202 668 Q C 2.384 178.215 176.000 -0.282 0.000 0.978 668 Q CA 2.300 57.964 55.803 -0.231 0.000 0.844 668 Q CB -0.210 28.554 28.738 0.044 0.000 0.898 668 Q HN 0.444 nan 8.270 nan 0.000 0.426 669 S N -0.945 114.647 115.700 -0.180 0.000 2.399 669 S HA -0.104 2.319 4.470 -3.413 0.000 0.231 669 S C 1.843 176.330 174.600 -0.189 0.000 1.022 669 S CA 1.302 59.407 58.200 -0.158 0.000 0.983 669 S CB -0.346 62.797 63.200 -0.094 0.000 0.803 669 S HN 0.266 nan 8.310 nan 0.000 0.480 670 V N 1.889 121.652 119.914 -0.252 0.000 2.379 670 V HA 0.156 2.229 4.120 -3.413 0.000 0.243 670 V C 3.096 179.113 176.094 -0.129 0.000 1.035 670 V CA 1.326 63.542 62.300 -0.139 0.000 1.035 670 V CB -1.250 30.517 31.823 -0.094 0.000 0.673 670 V HN 0.632 nan 8.190 nan 0.000 0.457 671 A N -0.159 122.460 122.820 -0.334 0.000 2.014 671 A HA 0.238 2.510 4.320 -3.413 0.000 0.218 671 A C 2.007 179.244 177.584 -0.579 0.000 1.163 671 A CA 1.244 52.896 52.037 -0.641 0.000 0.652 671 A CB -0.835 17.191 19.000 -1.624 0.000 0.808 671 A HN 1.335 nan 8.150 nan 0.000 0.449 672 G N -0.678 107.816 108.800 -0.511 0.000 2.273 672 G HA2 -0.262 1.651 3.960 -3.413 0.000 0.280 672 G HA3 -0.262 1.651 3.960 -3.413 0.000 0.280 672 G C 0.097 174.716 174.900 -0.470 0.000 1.047 672 G CA 0.553 45.423 45.100 -0.383 0.000 0.869 672 G HN 0.705 nan 8.290 nan 0.000 0.502 673 R N 0.084 120.122 120.500 -0.770 0.000 2.778 673 R HA 0.620 2.912 4.340 -3.413 0.000 0.277 673 R C -2.427 173.619 176.300 -0.423 0.000 0.977 673 R CA -1.953 53.699 56.100 -0.748 0.000 0.950 673 R CB 2.219 31.688 30.300 -1.385 0.000 1.165 673 R HN 0.153 nan 8.270 nan 0.000 0.474 674 P HA 0.207 nan 4.420 nan 0.000 0.281 674 P C -0.447 177.066 177.300 0.356 0.000 1.249 674 P CA -0.336 62.824 63.100 0.100 0.000 0.810 674 P CB 0.785 32.526 31.700 0.068 0.000 1.008 675 I N 3.503 124.248 120.570 0.292 0.000 2.452 675 I HA 0.116 2.238 4.170 -3.413 0.000 0.287 675 I C -1.737 174.498 176.117 0.197 0.000 1.079 675 I CA -1.847 59.599 61.300 0.243 0.000 1.387 675 I CB -0.191 37.903 38.000 0.156 0.000 1.404 675 I HN 0.178 nan 8.210 nan 0.000 0.522 676 P HA -0.078 nan 4.420 nan 0.000 0.264 676 P C 0.464 177.825 177.300 0.102 0.000 1.179 676 P CA 0.072 63.275 63.100 0.173 0.000 0.763 676 P CB 0.737 32.554 31.700 0.195 0.000 0.806 677 A N 3.833 126.667 122.820 0.024 0.000 2.070 677 A HA -0.216 2.056 4.320 -3.413 0.000 0.220 677 A C 1.812 179.349 177.584 -0.078 0.000 1.159 677 A CA 1.630 53.661 52.037 -0.010 0.000 0.656 677 A CB -1.070 17.924 19.000 -0.010 0.000 0.800 677 A HN 0.709 nan 8.150 nan 0.000 0.453 678 N N -0.651 117.935 118.700 -0.190 0.000 2.205 678 N HA -0.149 2.543 4.740 -3.413 0.000 0.186 678 N C -0.071 175.217 175.510 -0.370 0.000 1.015 678 N CA 0.816 53.680 53.050 -0.311 0.000 0.862 678 N CB -0.728 37.509 38.487 -0.417 0.000 0.986 678 N HN 0.493 nan 8.380 nan 0.000 0.429 679 Y N 2.133 122.322 120.300 -0.185 0.000 2.309 679 Y HA 0.094 2.597 4.550 -3.413 0.000 0.327 679 Y C 0.965 176.791 175.900 -0.124 0.000 1.172 679 Y CA -1.313 56.595 58.100 -0.320 0.000 1.280 679 Y CB 0.407 38.360 38.460 -0.844 0.000 1.234 679 Y HN 0.110 nan 8.280 nan 0.000 0.512 680 E N 3.753 124.077 120.200 0.206 0.000 2.366 680 E HA -0.037 2.265 4.350 -3.413 0.000 0.266 680 E C -0.582 176.181 176.600 0.272 0.000 1.015 680 E CA -0.518 56.010 56.400 0.213 0.000 0.906 680 E CB 0.652 30.476 29.700 0.206 0.000 0.979 680 E HN 0.541 nan 8.360 nan 0.000 0.443 681 Q N 3.909 123.808 119.800 0.164 0.000 2.314 681 Q HA 0.174 2.466 4.340 -3.413 0.000 0.258 681 Q C -2.098 173.983 176.000 0.136 0.000 0.954 681 Q CA -1.730 54.166 55.803 0.154 0.000 0.890 681 Q CB 0.974 29.767 28.738 0.092 0.000 1.210 681 Q HN 0.493 nan 8.270 nan 0.000 0.410 682 P HA -0.080 nan 4.420 nan 0.000 0.264 682 P C 0.324 177.661 177.300 0.062 0.000 1.183 682 P CA 0.389 63.557 63.100 0.114 0.000 0.763 682 P CB 0.479 32.260 31.700 0.136 0.000 0.807 683 E N 0.834 121.042 120.200 0.013 0.000 2.187 683 E HA -0.233 2.069 4.350 -3.413 0.000 0.199 683 E C 0.049 176.293 176.600 -0.593 0.000 1.004 683 E CA 1.580 57.834 56.400 -0.244 0.000 0.813 683 E CB -0.046 29.517 29.700 -0.229 0.000 0.736 683 E HN 0.647 nan 8.360 nan 0.000 0.468 684 H N -1.637 117.410 119.070 -0.038 0.000 2.960 684 H HA 0.126 2.634 4.556 -3.413 0.000 0.303 684 H C -0.603 174.760 175.328 0.059 0.000 1.412 684 H CA -0.894 55.018 56.048 -0.226 0.000 1.227 684 H CB 1.053 30.229 29.762 -0.976 0.000 1.912 684 H HN -0.033 nan 8.280 nan 0.000 0.583 685 D N -0.005 120.492 120.400 0.161 0.000 2.432 685 D HA 0.013 2.606 4.640 -3.413 0.000 0.258 685 D C 1.122 177.585 176.300 0.273 0.000 1.146 685 D CA -0.696 53.417 54.000 0.188 0.000 1.015 685 D CB 0.830 41.687 40.800 0.095 0.000 1.107 685 D HN 0.373 nan 8.370 nan 0.000 0.529 686 L N 0.006 121.346 121.223 0.195 0.000 2.012 686 L HA -0.148 2.144 4.340 -3.413 0.000 0.210 686 L C 2.082 178.963 176.870 0.017 0.000 1.073 686 L CA 2.140 57.073 54.840 0.154 0.000 0.748 686 L CB -1.146 40.960 42.059 0.078 0.000 0.891 686 L HN 0.643 nan 8.230 nan 0.000 0.431 687 E N -1.243 118.945 120.200 -0.021 0.000 2.118 687 E HA -0.332 1.970 4.350 -3.413 0.000 0.195 687 E C 2.166 178.709 176.600 -0.095 0.000 0.992 687 E CA 1.775 58.118 56.400 -0.094 0.000 0.804 687 E CB -0.711 28.951 29.700 -0.063 0.000 0.741 687 E HN 0.659 nan 8.360 nan 0.000 0.458 688 Y N -0.560 119.625 120.300 -0.191 0.000 2.181 688 Y HA -0.237 2.265 4.550 -3.413 0.000 0.288 688 Y C 1.657 177.309 175.900 -0.413 0.000 1.146 688 Y CA 1.983 59.881 58.100 -0.336 0.000 1.164 688 Y CB -0.388 37.803 38.460 -0.448 0.000 0.982 688 Y HN 0.118 nan 8.280 nan 0.000 0.515 689 Y N 0.288 120.605 120.300 0.028 0.000 2.314 689 Y HA -0.123 2.380 4.550 -3.413 0.000 0.293 689 Y C 2.308 178.121 175.900 -0.144 0.000 1.129 689 Y CA 1.365 59.449 58.100 -0.028 0.000 1.201 689 Y CB -0.180 38.349 38.460 0.115 0.000 0.999 689 Y HN -0.005 nan 8.280 nan 0.000 0.541 690 K N -0.372 119.869 120.400 -0.265 0.000 2.147 690 K HA -0.205 2.067 4.320 -3.413 0.000 0.205 690 K C 2.139 178.608 176.600 -0.218 0.000 1.049 690 K CA 1.281 57.295 56.287 -0.454 0.000 0.936 690 K CB -0.168 31.909 32.500 -0.706 0.000 0.722 690 K HN 0.295 nan 8.250 nan 0.000 0.446 691 M N 1.152 120.597 119.600 -0.259 0.000 2.123 691 M HA -0.101 2.331 4.480 -3.413 0.000 0.263 691 M C 1.846 177.982 176.300 -0.274 0.000 1.069 691 M CA 1.559 56.699 55.300 -0.268 0.000 1.133 691 M CB -0.353 32.036 32.600 -0.353 0.000 1.356 691 M HN 0.131 nan 8.290 nan 0.000 0.415 692 L N 0.461 121.457 121.223 -0.378 0.000 2.187 692 L HA -0.174 2.118 4.340 -3.413 0.000 0.213 692 L C 2.611 179.446 176.870 -0.058 0.000 1.100 692 L CA 1.076 55.772 54.840 -0.240 0.000 0.765 692 L CB -1.066 40.864 42.059 -0.215 0.000 0.904 692 L HN 0.367 nan 8.230 nan 0.000 0.437 693 A N 0.101 122.929 122.820 0.014 0.000 2.019 693 A HA -0.167 2.105 4.320 -3.413 0.000 0.219 693 A C 2.349 179.964 177.584 0.052 0.000 1.164 693 A CA 1.303 53.388 52.037 0.080 0.000 0.644 693 A CB -0.322 18.845 19.000 0.278 0.000 0.805 693 A HN 0.390 nan 8.150 nan 0.000 0.449 694 R N -1.677 118.829 120.500 0.010 0.000 2.223 694 R HA 0.058 2.350 4.340 -3.413 0.000 0.198 694 R C 1.225 177.525 176.300 0.001 0.000 0.984 694 R CA 1.242 57.347 56.100 0.008 0.000 1.018 694 R CB -0.018 30.273 30.300 -0.014 0.000 0.945 694 R HN 0.416 nan 8.270 nan 0.000 0.479 695 T N -0.127 114.415 114.554 -0.022 0.000 3.022 695 T HA 0.048 2.350 4.350 -3.413 0.000 0.250 695 T C 0.607 175.332 174.700 0.042 0.000 1.060 695 T CA 0.443 62.537 62.100 -0.009 0.000 1.013 695 T CB 0.547 69.376 68.868 -0.064 0.000 0.982 695 T HN 0.006 nan 8.240 nan 0.000 0.508 696 T N 3.458 118.045 114.554 0.054 0.000 2.855 696 T HA 0.180 2.482 4.350 -3.413 0.000 0.290 696 T C -0.360 174.437 174.700 0.162 0.000 0.941 696 T CA -0.485 61.685 62.100 0.118 0.000 1.030 696 T CB -0.627 68.309 68.868 0.113 0.000 0.935 696 T HN 0.316 nan 8.240 nan 0.000 0.564 697 Y N 4.751 125.095 120.300 0.073 0.000 2.922 697 Y HA -0.090 2.413 4.550 -3.412 0.000 0.374 697 Y C -0.005 175.937 175.900 0.071 0.000 1.255 697 Y CA 0.170 58.308 58.100 0.063 0.000 1.624 697 Y CB -0.086 38.403 38.460 0.048 0.000 1.122 697 Y HN 0.351 nan 8.280 nan 0.000 0.552 698 V N 10.591 130.151 119.914 -0.590 0.000 2.372 698 V HA 0.169 2.241 4.120 -3.413 0.000 0.261 698 V C -1.837 173.731 176.094 -0.876 0.000 1.055 698 V CA -1.484 60.547 62.300 -0.448 0.000 0.930 698 V CB 0.752 32.503 31.823 -0.119 0.000 1.031 698 V HN 0.693 nan 8.190 nan 0.000 0.479 699 P HA 0.270 nan 4.420 nan 0.000 0.238 699 P C -0.544 176.788 177.300 0.053 0.000 1.794 699 P CA -0.060 62.847 63.100 -0.321 0.000 1.088 699 P CB -0.144 31.490 31.700 -0.110 0.000 1.923 700 E N 1.747 121.965 120.200 0.029 0.000 2.335 700 E HA 0.402 2.704 4.350 -3.413 0.000 0.280 700 E C -2.610 174.058 176.600 0.114 0.000 0.918 700 E CA -2.013 54.454 56.400 0.112 0.000 0.765 700 E CB 0.700 30.468 29.700 0.115 0.000 1.218 700 E HN -0.159 nan 8.360 nan 0.000 0.425 701 P HA -0.057 nan 4.420 nan 0.000 0.216 701 P C -0.293 177.132 177.300 0.207 0.000 1.153 701 P CA 0.564 63.753 63.100 0.148 0.000 0.844 701 P CB 0.059 31.837 31.700 0.129 0.000 0.787 702 W N 3.127 124.439 121.300 0.020 0.000 2.181 702 W HA 0.143 2.764 4.660 -3.400 0.000 0.335 702 W C 0.315 176.888 176.519 0.090 0.000 1.310 702 W CA 0.431 57.790 57.345 0.024 0.000 1.226 702 W CB 0.244 29.663 29.460 -0.069 0.000 1.155 702 W HN 0.160 nan 8.180 nan 0.000 0.565 703 H N 4.202 122.692 119.070 -0.968 0.000 2.821 703 H HA 0.567 3.076 4.556 -3.413 0.000 0.373 703 H C -2.714 171.643 175.328 -1.618 0.000 1.165 703 H CA -2.858 52.619 56.048 -0.952 0.000 1.154 703 H CB 0.699 30.201 29.762 -0.434 0.000 1.765 703 H HN 0.157 nan 8.280 nan 0.000 0.549 704 P HA 0.186 nan 4.420 nan 0.000 0.272 704 P C 0.124 177.168 177.300 -0.426 0.000 1.230 704 P CA -0.224 62.427 63.100 -0.749 0.000 0.788 704 P CB 0.417 31.973 31.700 -0.241 0.000 0.949 705 A N 0.000 122.696 122.820 -0.207 0.000 2.254 705 A HA 0.000 2.272 4.320 -3.413 0.000 0.244 705 A CA 0.000 51.983 52.037 -0.090 0.000 0.836 705 A CB 0.000 19.002 19.000 0.003 0.000 0.831 705 A HN 0.000 nan 8.150 nan 0.000 0.486