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 1gqj_1_B DATA FIRST_RESID 5 DATA SEQUENCE EDGYDMWLRY QPIADQTLLK TYQKQIRHLH VAGDSPTINA AAAELQRGLS DATA SEQUENCE GLLNKPIVAR DEKLKDYSLV IGTPDNSPLI ASLNLGERLQ ALGAEGYLLE DATA SEQUENCE QTRINKRHVV IVAANSDVGV LYGSFHLLRL IQTQHALEKL SLSSAPRLQH DATA SEQUENCE RVVNHWDNLN RVVERGYAGL SLWDWGSLPN YLAPRYTDYA RINASLGING DATA SEQUENCE TVINNVNADP RVLSDQFLQK IAALADAFRP YGIKMYLSIN FNSPRAFGDV DATA SEQUENCE DTADPLDPRV QQWWKTRAQK IYSYIPDFGG FLVKADSEGQ PGPQGYGRDH DATA SEQUENCE AEGANMLAAA LKPFGGVVFW RAFVYHPDIE DRFRGAYDEF MPLDGKFADN DATA SEQUENCE VILQIKNGPI DFQPREPFSA LFAGMSRTNM MMEFQITQEY FGFATHLAYQ DATA SEQUENCE GPLFEESLKT ETHARGEGST IGNILEGKVF KTRHTGMAGV INPGTDRNWT DATA SEQUENCE GHPFVQSSWY AFGRMAWDHQ ISAATAADEW LRMTFSNQPA FIEPVKQMML DATA SEQUENCE VSREAGVNYR SPLGLTHLYS QGDHYGPAPW TDDLPRADWT AVYYHRASKT DATA SEQUENCE GIGFNRTKTG SNALAQYPEP IAKAWGDLNS VPEDLILWFH HLSWDHRMQS DATA SEQUENCE GRNLWQELVH KYYQGVEQVR AMQRTWDQQE AYVDAARFAQ VKALLQVQER DATA SEQUENCE EAVRWRNSCV LYFQSVAGRP IPANYEQPEH DLEYYKMLAR TTYVPEPWHP DATA SEQUENCE ASSSRVLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 E HA 0.000 nan 4.350 nan 0.000 0.291 5 E C 0.000 176.632 176.600 0.053 0.000 1.382 5 E CA 0.000 56.418 56.400 0.030 0.000 0.976 5 E CB 0.000 29.715 29.700 0.025 0.000 0.812 6 D N 0.829 121.261 120.400 0.053 0.000 2.501 6 D HA 0.200 4.839 4.640 -0.001 0.000 0.224 6 D C 1.198 177.555 176.300 0.096 0.000 1.202 6 D CA 0.202 54.246 54.000 0.073 0.000 0.829 6 D CB 0.549 41.385 40.800 0.060 0.000 1.023 6 D HN 0.691 nan 8.370 nan 0.000 0.499 7 G N 0.427 109.265 108.800 0.065 0.000 2.189 7 G HA2 -0.479 3.481 3.960 -0.001 0.000 0.267 7 G HA3 -0.479 3.481 3.960 -0.001 0.000 0.267 7 G C 0.740 175.719 174.900 0.132 0.000 0.975 7 G CA 0.555 45.688 45.100 0.055 0.000 0.644 7 G HN 0.412 nan 8.290 nan 0.000 0.537 8 Y N 1.471 121.813 120.300 0.070 0.000 2.274 8 Y HA -0.029 4.522 4.550 0.001 0.000 0.290 8 Y C 2.176 178.185 175.900 0.182 0.000 1.145 8 Y CA 2.243 60.454 58.100 0.184 0.000 1.203 8 Y CB 0.158 38.658 38.460 0.066 0.000 0.984 8 Y HN 0.321 nan 8.280 nan 0.000 0.533 9 D N -0.116 120.264 120.400 -0.034 0.000 2.355 9 D HA -0.088 4.552 4.640 -0.001 0.000 0.218 9 D C 1.474 177.463 176.300 -0.518 0.000 1.004 9 D CA 0.818 54.660 54.000 -0.263 0.000 0.880 9 D CB 0.045 40.722 40.800 -0.204 0.000 0.911 9 D HN 0.375 nan 8.370 nan 0.000 0.528 10 M N -0.617 118.700 119.600 -0.473 0.000 7.319 10 M HA -0.299 4.181 4.480 -0.001 0.000 0.312 10 M C 1.160 177.133 176.300 -0.545 0.000 0.480 10 M CA 1.978 56.908 55.300 -0.616 0.000 1.311 10 M CB -1.933 29.952 32.600 -1.192 0.000 0.421 10 M HN 0.380 nan 8.290 nan 0.000 0.740 11 W N 1.531 122.606 121.300 -0.374 0.000 3.290 11 W HA 0.578 5.239 4.660 0.001 0.000 0.287 11 W C 0.663 176.959 176.519 -0.373 0.000 1.288 11 W CA -0.199 56.902 57.345 -0.407 0.000 1.725 11 W CB -0.606 28.655 29.460 -0.330 0.000 1.103 11 W HN 0.284 nan 8.180 nan 0.000 0.670 12 L N 2.726 123.641 121.223 -0.514 0.000 2.923 12 L HA 0.403 4.742 4.340 -0.001 0.000 0.231 12 L C 0.216 176.556 176.870 -0.884 0.000 1.300 12 L CA -0.299 54.158 54.840 -0.638 0.000 1.184 12 L CB -0.351 41.375 42.059 -0.554 0.000 1.511 12 L HN -0.123 nan 8.230 nan 0.000 0.448 13 R N 0.571 120.719 120.500 -0.585 0.000 2.205 13 R HA 0.239 4.579 4.340 -0.001 0.000 0.342 13 R C -1.015 175.112 176.300 -0.289 0.000 1.058 13 R CA -0.460 55.398 56.100 -0.404 0.000 0.904 13 R CB 0.601 30.742 30.300 -0.265 0.000 1.089 13 R HN 0.151 nan 8.270 nan 0.000 0.471 14 Y N 2.255 122.533 120.300 -0.036 0.000 2.849 14 Y HA 0.189 4.739 4.550 -0.000 0.000 0.356 14 Y C 0.324 176.209 175.900 -0.025 0.000 1.236 14 Y CA -0.641 57.443 58.100 -0.028 0.000 1.508 14 Y CB 0.100 38.549 38.460 -0.019 0.000 1.619 14 Y HN 0.347 nan 8.280 nan 0.000 0.513 15 Q N 1.855 121.706 119.800 0.085 0.000 2.214 15 Q HA 0.375 4.715 4.340 -0.001 0.000 0.251 15 Q C -2.383 173.644 176.000 0.046 0.000 0.936 15 Q CA -2.239 53.590 55.803 0.044 0.000 0.894 15 Q CB 1.044 29.784 28.738 0.004 0.000 1.252 15 Q HN 0.187 nan 8.270 nan 0.000 0.448 16 P HA -0.046 nan 4.420 nan 0.000 0.265 16 P C -0.593 176.731 177.300 0.040 0.000 1.193 16 P CA 0.066 63.187 63.100 0.034 0.000 0.765 16 P CB 0.373 32.087 31.700 0.024 0.000 0.823 17 I N 2.473 123.080 120.570 0.062 0.000 2.662 17 I HA -0.076 4.094 4.170 -0.001 0.000 0.285 17 I C 1.664 177.814 176.117 0.055 0.000 1.161 17 I CA 0.487 61.838 61.300 0.085 0.000 1.415 17 I CB -0.162 37.944 38.000 0.175 0.000 1.385 17 I HN 0.485 nan 8.210 nan 0.000 0.552 18 A N 5.835 128.678 122.820 0.039 0.000 1.929 18 A HA -0.122 4.198 4.320 -0.001 0.000 0.216 18 A C 1.096 178.688 177.584 0.015 0.000 1.176 18 A CA 0.713 52.761 52.037 0.019 0.000 0.628 18 A CB -0.226 18.780 19.000 0.011 0.000 0.816 18 A HN 0.749 nan 8.150 nan 0.000 0.444 19 D N 0.255 120.665 120.400 0.018 0.000 2.342 19 D HA 0.094 4.733 4.640 -0.001 0.000 0.260 19 D C 0.787 177.082 176.300 -0.009 0.000 1.278 19 D CA -0.094 53.906 54.000 -0.001 0.000 0.910 19 D CB 0.626 41.420 40.800 -0.009 0.000 1.079 19 D HN 0.219 nan 8.370 nan 0.000 0.496 20 Q N 2.319 122.110 119.800 -0.014 0.000 2.124 20 Q HA -0.109 4.231 4.340 -0.001 0.000 0.202 20 Q C 1.790 177.766 176.000 -0.040 0.000 0.977 20 Q CA 1.198 56.989 55.803 -0.019 0.000 0.850 20 Q CB -0.555 28.172 28.738 -0.018 0.000 0.901 20 Q HN 0.519 nan 8.270 nan 0.000 0.429 21 T N 2.042 116.566 114.554 -0.051 0.000 2.684 21 T HA -0.103 4.247 4.350 -0.001 0.000 0.267 21 T C 2.078 176.708 174.700 -0.117 0.000 1.036 21 T CA 0.962 63.018 62.100 -0.074 0.000 1.148 21 T CB -0.283 68.543 68.868 -0.069 0.000 0.863 21 T HN 0.165 nan 8.240 nan 0.000 0.436 22 L N 0.390 121.531 121.223 -0.137 0.000 2.012 22 L HA -0.095 4.245 4.340 -0.001 0.000 0.210 22 L C 2.491 179.190 176.870 -0.286 0.000 1.073 22 L CA 0.872 55.554 54.840 -0.263 0.000 0.748 22 L CB -0.604 41.331 42.059 -0.206 0.000 0.891 22 L HN 0.244 nan 8.230 nan 0.000 0.431 23 L N 0.194 121.373 121.223 -0.073 0.000 2.013 23 L HA -0.259 4.081 4.340 -0.001 0.000 0.212 23 L C 2.483 179.354 176.870 0.001 0.000 1.073 23 L CA 1.903 56.771 54.840 0.047 0.000 0.753 23 L CB -0.560 41.529 42.059 0.049 0.000 0.890 23 L HN 0.116 nan 8.230 nan 0.000 0.432 24 K N -1.316 119.050 120.400 -0.056 0.000 2.057 24 K HA -0.132 4.188 4.320 -0.001 0.000 0.207 24 K C 1.880 178.423 176.600 -0.094 0.000 1.049 24 K CA 1.899 58.147 56.287 -0.066 0.000 0.931 24 K CB -0.482 31.975 32.500 -0.072 0.000 0.714 24 K HN 0.421 nan 8.250 nan 0.000 0.440 25 T N 0.629 115.093 114.554 -0.151 0.000 2.684 25 T HA -0.169 4.181 4.350 -0.001 0.000 0.267 25 T C 1.632 176.264 174.700 -0.113 0.000 1.036 25 T CA 1.446 63.438 62.100 -0.180 0.000 1.148 25 T CB -0.362 68.344 68.868 -0.269 0.000 0.863 25 T HN 0.157 nan 8.240 nan 0.000 0.436 26 Y N 1.821 122.095 120.300 -0.043 0.000 2.200 26 Y HA -0.057 4.493 4.550 -0.000 0.000 0.290 26 Y C 2.713 178.580 175.900 -0.055 0.000 1.137 26 Y CA 0.367 58.446 58.100 -0.035 0.000 1.163 26 Y CB -0.848 37.599 38.460 -0.021 0.000 0.988 26 Y HN 0.319 nan 8.280 nan 0.000 0.518 27 Q N -0.104 119.749 119.800 0.089 0.000 2.170 27 Q HA -0.170 4.170 4.340 -0.001 0.000 0.203 27 Q C 2.023 177.980 176.000 -0.072 0.000 0.976 27 Q CA 1.162 56.965 55.803 -0.001 0.000 0.858 27 Q CB -0.040 28.686 28.738 -0.019 0.000 0.907 27 Q HN 0.303 nan 8.270 nan 0.000 0.433 28 K N 0.583 120.913 120.400 -0.116 0.000 2.167 28 K HA -0.087 4.233 4.320 -0.001 0.000 0.203 28 K C 1.905 178.318 176.600 -0.311 0.000 1.052 28 K CA 1.052 57.184 56.287 -0.258 0.000 0.956 28 K CB 0.058 32.389 32.500 -0.281 0.000 0.735 28 K HN 0.351 nan 8.250 nan 0.000 0.451 29 Q N -0.074 119.671 119.800 -0.092 0.000 2.163 29 Q HA 0.074 4.413 4.340 -0.001 0.000 0.198 29 Q C 0.244 176.334 176.000 0.151 0.000 0.954 29 Q CA 0.602 56.452 55.803 0.078 0.000 0.851 29 Q CB 0.464 29.275 28.738 0.121 0.000 0.928 29 Q HN 0.090 nan 8.270 nan 0.000 0.459 30 I N 1.000 121.617 120.570 0.078 0.000 2.428 30 I HA 0.235 4.404 4.170 -0.001 0.000 0.279 30 I C 0.403 176.510 176.117 -0.017 0.000 1.040 30 I CA 0.134 61.469 61.300 0.058 0.000 1.171 30 I CB 1.137 39.153 38.000 0.026 0.000 1.312 30 I HN 0.147 nan 8.210 nan 0.000 0.470 31 R N 2.992 123.462 120.500 -0.050 0.000 2.254 31 R HA 0.224 4.564 4.340 -0.001 0.000 0.193 31 R C 0.037 175.991 176.300 -0.577 0.000 0.929 31 R CA 0.368 56.281 56.100 -0.311 0.000 1.038 31 R CB 0.569 30.645 30.300 -0.373 0.000 1.009 31 R HN 0.554 nan 8.270 nan 0.000 0.512 32 H N -0.736 118.377 119.070 0.071 0.000 2.946 32 H HA 0.301 4.856 4.556 -0.001 0.000 0.365 32 H C -1.515 173.844 175.328 0.052 0.000 1.197 32 H CA -1.057 55.026 56.048 0.058 0.000 1.131 32 H CB 2.152 31.959 29.762 0.074 0.000 1.849 32 H HN -0.158 nan 8.280 nan 0.000 0.555 33 L N 2.204 123.531 121.223 0.172 0.000 2.372 33 L HA 0.237 4.577 4.340 -0.001 0.000 0.273 33 L C -0.890 176.041 176.870 0.103 0.000 0.989 33 L CA -0.302 54.596 54.840 0.097 0.000 0.841 33 L CB 0.732 42.806 42.059 0.024 0.000 1.225 33 L HN 0.607 nan 8.230 nan 0.000 0.414 34 H N 5.311 124.397 119.070 0.027 0.000 2.504 34 H HA 0.648 5.204 4.556 -0.000 0.000 0.322 34 H C -1.681 173.644 175.328 -0.005 0.000 1.055 34 H CA -0.397 55.656 56.048 0.009 0.000 1.231 34 H CB 1.530 31.296 29.762 0.006 0.000 1.417 34 H HN 0.451 nan 8.280 nan 0.000 0.472 35 V N 5.441 125.180 119.914 -0.292 0.000 2.462 35 V HA 0.249 4.368 4.120 -0.001 0.000 0.288 35 V C 0.832 176.788 176.094 -0.229 0.000 1.020 35 V CA -0.152 62.056 62.300 -0.152 0.000 0.857 35 V CB 0.881 32.644 31.823 -0.099 0.000 1.013 35 V HN 0.909 nan 8.190 nan 0.000 0.431 36 A N 3.513 126.261 122.820 -0.119 0.000 1.975 36 A HA 0.423 4.743 4.320 -0.001 0.000 0.215 36 A C 1.456 179.014 177.584 -0.044 0.000 1.170 36 A CA 1.011 53.005 52.037 -0.073 0.000 0.656 36 A CB -0.283 18.745 19.000 0.047 0.000 0.821 36 A HN 0.991 nan 8.150 nan 0.000 0.449 37 G N -0.133 108.650 108.800 -0.028 0.000 2.634 37 G HA2 0.378 4.337 3.960 -0.001 0.000 0.255 37 G HA3 0.378 4.337 3.960 -0.001 0.000 0.255 37 G C -0.091 174.789 174.900 -0.034 0.000 1.205 37 G CA 0.470 45.556 45.100 -0.023 0.000 0.884 37 G HN 0.403 nan 8.290 nan 0.000 0.549 38 D N -2.142 118.242 120.400 -0.027 0.000 2.615 38 D HA 0.048 4.688 4.640 -0.001 0.000 0.274 38 D C 0.877 177.163 176.300 -0.023 0.000 1.512 38 D CA 0.028 54.011 54.000 -0.028 0.000 0.803 38 D CB -0.565 40.221 40.800 -0.023 0.000 1.182 38 D HN 0.449 nan 8.370 nan 0.000 0.473 39 S N -0.098 115.588 115.700 -0.023 0.000 2.584 39 S HA 0.292 4.762 4.470 -0.001 0.000 0.270 39 S C -1.455 173.124 174.600 -0.035 0.000 1.346 39 S CA -0.617 57.570 58.200 -0.021 0.000 1.018 39 S CB 1.466 64.655 63.200 -0.018 0.000 0.899 39 S HN -0.217 nan 8.310 nan 0.000 0.542 40 P HA -0.091 nan 4.420 nan 0.000 0.216 40 P C 1.468 178.706 177.300 -0.104 0.000 1.153 40 P CA 1.561 64.631 63.100 -0.050 0.000 0.858 40 P CB -0.284 31.400 31.700 -0.027 0.000 0.789 41 T N -0.646 113.850 114.554 -0.097 0.000 2.777 41 T HA -0.084 4.266 4.350 -0.001 0.000 0.266 41 T C 1.710 176.332 174.700 -0.130 0.000 1.040 41 T CA 0.907 62.925 62.100 -0.137 0.000 1.141 41 T CB -0.636 68.176 68.868 -0.094 0.000 0.868 41 T HN -0.033 nan 8.240 nan 0.000 0.444 42 I N 2.161 122.679 120.570 -0.088 0.000 2.252 42 I HA -0.111 4.058 4.170 -0.001 0.000 0.245 42 I C 2.143 178.209 176.117 -0.085 0.000 1.102 42 I CA 1.184 62.437 61.300 -0.077 0.000 1.385 42 I CB -1.216 36.753 38.000 -0.051 0.000 1.064 42 I HN 0.217 nan 8.210 nan 0.000 0.414 43 N N 1.520 120.173 118.700 -0.078 0.000 2.149 43 N HA -0.148 4.592 4.740 -0.001 0.000 0.188 43 N C 1.901 177.362 175.510 -0.082 0.000 1.019 43 N CA 1.690 54.699 53.050 -0.068 0.000 0.857 43 N CB -0.335 38.123 38.487 -0.049 0.000 0.997 43 N HN 0.378 nan 8.380 nan 0.000 0.426 44 A N 0.564 123.300 122.820 -0.140 0.000 1.930 44 A HA 0.114 4.434 4.320 -0.001 0.000 0.217 44 A C 2.324 179.844 177.584 -0.107 0.000 1.175 44 A CA 1.702 53.636 52.037 -0.172 0.000 0.627 44 A CB -0.686 17.987 19.000 -0.544 0.000 0.815 44 A HN 0.314 nan 8.150 nan 0.000 0.443 45 A N -0.062 122.675 122.820 -0.139 0.000 1.873 45 A HA 0.216 4.536 4.320 -0.001 0.000 0.215 45 A C 2.502 179.993 177.584 -0.154 0.000 1.186 45 A CA 1.904 53.839 52.037 -0.169 0.000 0.616 45 A CB -1.000 17.910 19.000 -0.150 0.000 0.823 45 A HN 0.989 nan 8.150 nan 0.000 0.442 46 A N -0.061 122.693 122.820 -0.109 0.000 1.902 46 A HA 0.159 4.479 4.320 -0.001 0.000 0.217 46 A C 2.502 180.035 177.584 -0.084 0.000 1.181 46 A CA 2.098 54.080 52.037 -0.091 0.000 0.623 46 A CB -1.024 17.934 19.000 -0.070 0.000 0.818 46 A HN 1.049 nan 8.150 nan 0.000 0.443 47 A N -0.471 122.313 122.820 -0.059 0.000 1.902 47 A HA -0.158 4.162 4.320 -0.001 0.000 0.217 47 A C 1.978 179.535 177.584 -0.045 0.000 1.181 47 A CA 2.165 54.186 52.037 -0.025 0.000 0.623 47 A CB -0.465 18.552 19.000 0.029 0.000 0.818 47 A HN 0.521 nan 8.150 nan 0.000 0.443 48 E N 0.080 120.232 120.200 -0.081 0.000 2.047 48 E HA -0.103 4.247 4.350 -0.001 0.000 0.191 48 E C 1.876 178.320 176.600 -0.259 0.000 0.987 48 E CA 1.196 57.506 56.400 -0.151 0.000 0.799 48 E CB -0.376 29.129 29.700 -0.325 0.000 0.752 48 E HN 0.584 nan 8.360 nan 0.000 0.449 49 L N 0.269 121.344 121.223 -0.247 0.000 2.046 49 L HA -0.211 4.129 4.340 -0.001 0.000 0.208 49 L C 2.778 179.525 176.870 -0.204 0.000 1.077 49 L CA 1.622 56.319 54.840 -0.237 0.000 0.747 49 L CB -0.432 41.520 42.059 -0.177 0.000 0.896 49 L HN 0.281 nan 8.230 nan 0.000 0.432 50 Q N 0.502 120.215 119.800 -0.144 0.000 2.020 50 Q HA -0.252 4.088 4.340 -0.001 0.000 0.202 50 Q C 2.399 178.324 176.000 -0.126 0.000 0.982 50 Q CA 2.142 57.881 55.803 -0.107 0.000 0.838 50 Q CB -0.029 28.671 28.738 -0.063 0.000 0.899 50 Q HN 0.495 nan 8.270 nan 0.000 0.423 51 R N -0.893 119.530 120.500 -0.128 0.000 2.075 51 R HA -0.041 4.298 4.340 -0.001 0.000 0.232 51 R C 2.204 178.327 176.300 -0.294 0.000 1.126 51 R CA 1.445 57.478 56.100 -0.113 0.000 0.963 51 R CB -0.965 29.332 30.300 -0.004 0.000 0.858 51 R HN 0.275 nan 8.270 nan 0.000 0.435 52 G N 2.130 110.547 108.800 -0.640 0.000 2.433 52 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.216 52 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.216 52 G C 1.624 176.194 174.900 -0.550 0.000 1.186 52 G CA 0.811 45.193 45.100 -1.198 0.000 0.779 52 G HN 0.171 nan 8.290 nan 0.000 0.543 53 L N 0.798 121.811 121.223 -0.349 0.000 2.042 53 L HA -0.111 4.228 4.340 -0.001 0.000 0.210 53 L C 3.230 180.016 176.870 -0.141 0.000 1.076 53 L CA 1.328 56.043 54.840 -0.208 0.000 0.749 53 L CB -0.478 41.487 42.059 -0.157 0.000 0.893 53 L HN 0.179 nan 8.230 nan 0.000 0.432 54 S N 0.047 115.671 115.700 -0.126 0.000 2.370 54 S HA -0.142 4.328 4.470 -0.001 0.000 0.226 54 S C 1.999 176.573 174.600 -0.044 0.000 1.033 54 S CA 1.318 59.476 58.200 -0.070 0.000 1.011 54 S CB -0.627 62.543 63.200 -0.051 0.000 0.852 54 S HN 0.624 nan 8.310 nan 0.000 0.457 55 G N 1.487 110.261 108.800 -0.043 0.000 2.404 55 G HA2 -0.068 3.892 3.960 -0.001 0.000 0.214 55 G HA3 -0.068 3.892 3.960 -0.001 0.000 0.214 55 G C 1.337 176.254 174.900 0.027 0.000 1.189 55 G CA 0.443 45.558 45.100 0.025 0.000 0.789 55 G HN 0.428 nan 8.290 nan 0.000 0.533 56 L N -0.462 120.763 121.223 0.004 0.000 2.093 56 L HA 0.034 4.374 4.340 -0.001 0.000 0.208 56 L C 2.299 179.167 176.870 -0.003 0.000 1.085 56 L CA 0.367 55.210 54.840 0.004 0.000 0.755 56 L CB -0.182 41.849 42.059 -0.045 0.000 0.904 56 L HN 0.122 nan 8.230 nan 0.000 0.435 57 L N -0.837 120.372 121.223 -0.024 0.000 2.607 57 L HA 0.099 4.439 4.340 -0.001 0.000 0.228 57 L C 0.725 177.595 176.870 0.001 0.000 1.123 57 L CA 0.251 55.090 54.840 -0.001 0.000 0.890 57 L CB -0.876 41.171 42.059 -0.020 0.000 1.103 57 L HN 0.276 nan 8.230 nan 0.000 0.468 58 N N 1.176 119.876 118.700 -0.001 0.000 2.727 58 N HA -0.253 4.487 4.740 -0.001 0.000 0.249 58 N C -0.508 174.997 175.510 -0.007 0.000 1.048 58 N CA 1.102 54.153 53.050 0.001 0.000 0.714 58 N CB -0.611 37.880 38.487 0.007 0.000 0.959 58 N HN 0.605 nan 8.380 nan 0.000 0.544 59 K N -2.130 118.260 120.400 -0.016 0.000 2.578 59 K HA 0.463 4.783 4.320 -0.001 0.000 0.269 59 K C -3.342 173.243 176.600 -0.025 0.000 0.941 59 K CA -1.669 54.606 56.287 -0.020 0.000 0.847 59 K CB 1.679 34.163 32.500 -0.027 0.000 1.397 59 K HN -0.132 nan 8.250 nan 0.000 0.422 60 P HA 0.162 nan 4.420 nan 0.000 0.270 60 P C -0.477 176.808 177.300 -0.024 0.000 1.242 60 P CA -0.115 62.974 63.100 -0.018 0.000 0.768 60 P CB 0.240 31.935 31.700 -0.007 0.000 0.820 61 I N 4.788 125.339 120.570 -0.031 0.000 2.389 61 I HA 0.290 4.460 4.170 -0.001 0.000 0.288 61 I C 0.125 176.229 176.117 -0.021 0.000 0.999 61 I CA -0.941 60.340 61.300 -0.031 0.000 1.129 61 I CB 1.927 39.896 38.000 -0.053 0.000 1.288 61 I HN 0.054 nan 8.210 nan 0.000 0.444 62 V N 5.163 125.078 119.914 0.002 0.000 2.495 62 V HA 0.557 4.677 4.120 -0.001 0.000 0.298 62 V C 0.602 176.697 176.094 0.002 0.000 1.031 62 V CA -0.898 61.402 62.300 -0.000 0.000 0.871 62 V CB 1.845 33.673 31.823 0.009 0.000 0.988 62 V HN 0.857 nan 8.190 nan 0.000 0.432 63 A N 6.371 129.180 122.820 -0.019 0.000 2.488 63 A HA 0.626 4.945 4.320 -0.001 0.000 0.249 63 A C 0.301 177.860 177.584 -0.043 0.000 1.083 63 A CA 0.115 52.132 52.037 -0.033 0.000 0.768 63 A CB 0.073 19.044 19.000 -0.049 0.000 1.017 63 A HN 0.844 nan 8.150 nan 0.000 0.496 64 R N 1.179 121.639 120.500 -0.067 0.000 2.740 64 R HA 0.379 4.719 4.340 -0.001 0.000 0.273 64 R C -1.833 174.336 176.300 -0.219 0.000 0.998 64 R CA -0.879 55.164 56.100 -0.093 0.000 0.900 64 R CB 1.972 32.247 30.300 -0.041 0.000 1.223 64 R HN 0.738 nan 8.270 nan 0.000 0.466 65 D N 2.452 122.725 120.400 -0.211 0.000 2.460 65 D HA 0.165 4.805 4.640 -0.001 0.000 0.232 65 D C -0.780 175.433 176.300 -0.145 0.000 1.079 65 D CA -0.213 53.600 54.000 -0.312 0.000 0.864 65 D CB 0.614 41.297 40.800 -0.195 0.000 1.048 65 D HN 0.537 nan 8.370 nan 0.000 0.523 66 E N 1.335 121.488 120.200 -0.079 0.000 2.458 66 E HA 0.322 4.672 4.350 -0.001 0.000 0.278 66 E C -0.697 175.985 176.600 0.138 0.000 1.004 66 E CA -1.244 55.176 56.400 0.035 0.000 0.823 66 E CB 1.027 30.729 29.700 0.003 0.000 1.396 66 E HN 0.032 nan 8.360 nan 0.000 0.463 67 K N 1.272 121.709 120.400 0.060 0.000 2.491 67 K HA -0.013 4.306 4.320 -0.001 0.000 0.279 67 K C -0.123 176.482 176.600 0.009 0.000 1.026 67 K CA -0.327 55.979 56.287 0.031 0.000 1.070 67 K CB 0.230 32.727 32.500 -0.004 0.000 0.887 67 K HN 0.476 nan 8.250 nan 0.000 0.481 68 L N 5.033 126.227 121.223 -0.048 0.000 2.578 68 L HA -0.037 4.303 4.340 -0.001 0.000 0.279 68 L C -0.315 176.497 176.870 -0.098 0.000 1.227 68 L CA 1.237 56.004 54.840 -0.122 0.000 0.900 68 L CB 0.198 42.129 42.059 -0.214 0.000 1.144 68 L HN 0.554 nan 8.230 nan 0.000 0.496 69 K N 3.223 123.556 120.400 -0.112 0.000 2.166 69 K HA 0.251 4.571 4.320 -0.001 0.000 0.245 69 K C -0.826 175.765 176.600 -0.014 0.000 0.967 69 K CA -1.055 55.152 56.287 -0.132 0.000 0.863 69 K CB 1.120 33.347 32.500 -0.456 0.000 1.107 69 K HN 0.582 nan 8.250 nan 0.000 0.436 70 D N 0.659 121.084 120.400 0.042 0.000 2.455 70 D HA -0.033 4.606 4.640 -0.001 0.000 0.241 70 D C -0.781 175.655 176.300 0.227 0.000 1.138 70 D CA 0.824 54.852 54.000 0.046 0.000 0.877 70 D CB 0.088 40.947 40.800 0.098 0.000 1.187 70 D HN 0.416 nan 8.370 nan 0.000 0.451 71 Y N 0.402 120.819 120.300 0.195 0.000 3.091 71 Y HA -0.237 4.313 4.550 -0.001 0.000 0.189 71 Y C -0.021 175.976 175.900 0.160 0.000 1.520 71 Y CA 0.356 58.546 58.100 0.149 0.000 1.121 71 Y CB -1.900 36.607 38.460 0.078 0.000 1.411 71 Y HN 0.110 nan 8.280 nan 0.000 0.459 72 S N 0.425 116.253 115.700 0.213 0.000 2.578 72 S HA 0.742 5.212 4.470 -0.001 0.000 0.301 72 S C -0.482 174.190 174.600 0.121 0.000 1.091 72 S CA -0.916 57.400 58.200 0.192 0.000 1.032 72 S CB 2.097 65.389 63.200 0.153 0.000 1.064 72 S HN 0.299 nan 8.310 nan 0.000 0.508 73 L N 3.454 124.741 121.223 0.107 0.000 2.264 73 L HA 0.578 4.917 4.340 -0.001 0.000 0.289 73 L C -1.188 175.729 176.870 0.079 0.000 1.044 73 L CA -0.109 54.770 54.840 0.065 0.000 0.807 73 L CB 0.745 42.822 42.059 0.030 0.000 1.192 73 L HN 0.416 nan 8.230 nan 0.000 0.425 74 V N 6.961 126.911 119.914 0.060 0.000 2.409 74 V HA 0.486 4.605 4.120 -0.001 0.000 0.291 74 V C 0.029 176.160 176.094 0.062 0.000 1.020 74 V CA -0.533 61.815 62.300 0.080 0.000 0.848 74 V CB 1.403 33.233 31.823 0.011 0.000 0.990 74 V HN 0.739 nan 8.190 nan 0.000 0.430 75 I N 2.202 122.817 120.570 0.076 0.000 2.646 75 I HA 1.094 5.263 4.170 -0.001 0.000 0.299 75 I C 0.129 176.274 176.117 0.047 0.000 1.036 75 I CA -0.277 61.046 61.300 0.038 0.000 1.074 75 I CB 2.301 40.299 38.000 -0.003 0.000 1.258 75 I HN 0.794 nan 8.210 nan 0.000 0.430 76 G N 2.750 111.571 108.800 0.035 0.000 2.356 76 G HA2 0.366 4.326 3.960 -0.001 0.000 0.288 76 G HA3 0.366 4.326 3.960 -0.001 0.000 0.288 76 G C -0.921 174.002 174.900 0.038 0.000 1.302 76 G CA -0.216 44.904 45.100 0.033 0.000 0.887 76 G HN 1.015 nan 8.290 nan 0.000 0.521 77 T N -1.798 112.776 114.554 0.034 0.000 2.950 77 T HA 0.728 5.078 4.350 -0.001 0.000 0.288 77 T C -1.858 172.861 174.700 0.031 0.000 1.035 77 T CA -1.395 60.727 62.100 0.036 0.000 1.028 77 T CB 2.523 71.411 68.868 0.033 0.000 1.109 77 T HN 0.194 nan 8.240 nan 0.000 0.514 78 P HA -0.066 nan 4.420 nan 0.000 0.217 78 P C 0.912 178.224 177.300 0.019 0.000 1.148 78 P CA 1.005 64.118 63.100 0.022 0.000 0.828 78 P CB 0.018 31.730 31.700 0.020 0.000 0.783 79 D N -1.123 119.289 120.400 0.020 0.000 2.183 79 D HA -0.100 4.540 4.640 -0.001 0.000 0.203 79 D C 1.363 177.673 176.300 0.017 0.000 0.969 79 D CA 1.182 55.193 54.000 0.017 0.000 0.842 79 D CB -0.452 40.358 40.800 0.017 0.000 0.957 79 D HN 0.372 nan 8.370 nan 0.000 0.484 80 N N -1.328 117.384 118.700 0.019 0.000 2.197 80 N HA -0.018 4.722 4.740 -0.001 0.000 0.201 80 N C -0.302 175.225 175.510 0.028 0.000 1.148 80 N CA -0.131 52.929 53.050 0.018 0.000 0.883 80 N CB 0.661 39.155 38.487 0.011 0.000 1.012 80 N HN -0.155 nan 8.380 nan 0.000 0.507 81 S N 0.459 116.180 115.700 0.035 0.000 2.652 81 S HA 0.453 4.923 4.470 -0.001 0.000 0.252 81 S C -2.185 172.438 174.600 0.038 0.000 1.219 81 S CA -1.340 56.892 58.200 0.054 0.000 1.151 81 S CB 1.075 64.315 63.200 0.067 0.000 1.080 81 S HN -0.168 nan 8.310 nan 0.000 0.481 82 P HA -0.146 nan 4.420 nan 0.000 0.217 82 P C 1.463 178.763 177.300 -0.001 0.000 1.151 82 P CA 1.128 64.237 63.100 0.016 0.000 0.849 82 P CB 0.082 31.793 31.700 0.018 0.000 0.787 83 L N -1.595 119.621 121.223 -0.010 0.000 2.012 83 L HA -0.181 4.159 4.340 -0.001 0.000 0.210 83 L C 2.290 179.141 176.870 -0.032 0.000 1.073 83 L CA 1.286 56.095 54.840 -0.052 0.000 0.748 83 L CB -0.903 41.079 42.059 -0.130 0.000 0.891 83 L HN -0.031 nan 8.230 nan 0.000 0.431 84 I N 0.335 120.901 120.570 -0.006 0.000 2.226 84 I HA -0.226 3.944 4.170 -0.001 0.000 0.245 84 I C 2.851 178.971 176.117 0.005 0.000 1.100 84 I CA 1.605 62.908 61.300 0.005 0.000 1.374 84 I CB -1.514 36.500 38.000 0.024 0.000 1.057 84 I HN 0.161 nan 8.210 nan 0.000 0.413 85 A N 0.804 123.628 122.820 0.006 0.000 1.933 85 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 85 A C 2.488 180.070 177.584 -0.002 0.000 1.175 85 A CA 2.195 54.235 52.037 0.005 0.000 0.628 85 A CB -0.901 18.103 19.000 0.007 0.000 0.814 85 A HN 0.555 nan 8.150 nan 0.000 0.444 86 S N -0.243 115.451 115.700 -0.010 0.000 2.469 86 S HA -0.037 4.432 4.470 -0.001 0.000 0.238 86 S C 1.608 176.198 174.600 -0.017 0.000 0.998 86 S CA 1.299 59.489 58.200 -0.016 0.000 0.957 86 S CB -0.609 62.575 63.200 -0.026 0.000 0.764 86 S HN 0.455 nan 8.310 nan 0.000 0.514 87 L N 0.892 122.107 121.223 -0.014 0.000 2.478 87 L HA 0.166 4.506 4.340 -0.001 0.000 0.223 87 L C 0.167 177.034 176.870 -0.006 0.000 1.140 87 L CA 0.098 54.931 54.840 -0.012 0.000 0.842 87 L CB -1.057 40.996 42.059 -0.009 0.000 0.953 87 L HN 0.316 nan 8.230 nan 0.000 0.452 88 N N -0.109 118.589 118.700 -0.003 0.000 2.688 88 N HA -0.228 4.511 4.740 -0.001 0.000 0.258 88 N C 0.783 176.294 175.510 0.003 0.000 1.016 88 N CA -0.045 53.005 53.050 -0.000 0.000 0.747 88 N CB -0.993 37.493 38.487 -0.003 0.000 0.895 88 N HN 0.279 nan 8.380 nan 0.000 0.543 89 L N -0.294 120.933 121.223 0.007 0.000 2.201 89 L HA -0.054 4.286 4.340 -0.001 0.000 0.212 89 L C 2.190 179.066 176.870 0.009 0.000 1.105 89 L CA 1.072 55.918 54.840 0.010 0.000 0.775 89 L CB -0.777 41.292 42.059 0.017 0.000 0.913 89 L HN 0.709 nan 8.230 nan 0.000 0.440 90 G N 0.482 109.287 108.800 0.008 0.000 2.660 90 G HA2 -0.443 3.517 3.960 -0.001 0.000 0.321 90 G HA3 -0.443 3.517 3.960 -0.001 0.000 0.321 90 G C 0.826 175.730 174.900 0.006 0.000 1.246 90 G CA 0.734 45.838 45.100 0.006 0.000 1.000 90 G HN 0.374 nan 8.290 nan 0.000 0.550 91 E N 0.621 120.823 120.200 0.004 0.000 2.171 91 E HA -0.201 4.149 4.350 -0.001 0.000 0.197 91 E C 2.793 179.395 176.600 0.002 0.000 0.997 91 E CA 1.377 57.778 56.400 0.002 0.000 0.810 91 E CB -0.142 29.558 29.700 -0.000 0.000 0.738 91 E HN 0.538 nan 8.360 nan 0.000 0.467 92 R N 0.245 120.748 120.500 0.005 0.000 2.083 92 R HA -0.108 4.231 4.340 -0.001 0.000 0.237 92 R C 2.480 178.787 176.300 0.011 0.000 1.137 92 R CA 1.014 57.118 56.100 0.007 0.000 0.951 92 R CB -0.291 30.016 30.300 0.012 0.000 0.851 92 R HN 0.208 nan 8.270 nan 0.000 0.434 93 L N 0.747 121.980 121.223 0.016 0.000 2.131 93 L HA -0.138 4.202 4.340 -0.001 0.000 0.206 93 L C 2.475 179.355 176.870 0.018 0.000 1.087 93 L CA 1.265 56.119 54.840 0.024 0.000 0.767 93 L CB -0.426 41.651 42.059 0.029 0.000 0.917 93 L HN 0.317 nan 8.230 nan 0.000 0.441 94 Q N -0.169 119.637 119.800 0.010 0.000 2.112 94 Q HA -0.224 4.115 4.340 -0.001 0.000 0.206 94 Q C 2.235 178.233 176.000 -0.003 0.000 0.987 94 Q CA 1.786 57.592 55.803 0.005 0.000 0.858 94 Q CB -0.233 28.506 28.738 0.001 0.000 0.905 94 Q HN 0.530 nan 8.270 nan 0.000 0.420 95 A N 0.559 123.374 122.820 -0.007 0.000 2.121 95 A HA -0.088 4.231 4.320 -0.001 0.000 0.218 95 A C 1.873 179.441 177.584 -0.027 0.000 1.154 95 A CA 0.775 52.800 52.037 -0.019 0.000 0.679 95 A CB -0.413 18.574 19.000 -0.020 0.000 0.795 95 A HN 0.289 nan 8.150 nan 0.000 0.458 96 L N -1.421 119.793 121.223 -0.015 0.000 2.395 96 L HA 0.196 4.536 4.340 -0.001 0.000 0.218 96 L C 1.746 178.614 176.870 -0.004 0.000 1.130 96 L CA 0.288 55.120 54.840 -0.014 0.000 0.826 96 L CB -1.172 40.898 42.059 0.018 0.000 0.941 96 L HN 0.567 nan 8.230 nan 0.000 0.451 97 G N 0.628 109.427 108.800 -0.002 0.000 2.564 97 G HA2 -0.377 3.583 3.960 -0.001 0.000 0.273 97 G HA3 -0.377 3.583 3.960 -0.001 0.000 0.273 97 G C 0.732 175.649 174.900 0.027 0.000 1.242 97 G CA 0.234 45.333 45.100 -0.001 0.000 0.951 97 G HN 0.323 nan 8.290 nan 0.000 0.564 98 A N -1.008 121.827 122.820 0.025 0.000 2.169 98 A HA 0.439 4.758 4.320 -0.001 0.000 0.212 98 A C 1.789 179.437 177.584 0.108 0.000 1.153 98 A CA 1.982 54.051 52.037 0.054 0.000 0.756 98 A CB -0.067 18.956 19.000 0.039 0.000 0.813 98 A HN 0.675 nan 8.150 nan 0.000 0.471 99 E N -0.969 119.311 120.200 0.132 0.000 2.641 99 E HA 0.175 4.525 4.350 -0.001 0.000 0.224 99 E C 0.932 177.786 176.600 0.423 0.000 0.951 99 E CA -0.011 56.568 56.400 0.299 0.000 1.102 99 E CB 0.744 30.613 29.700 0.281 0.000 1.091 99 E HN 0.460 nan 8.360 nan 0.000 0.507 100 G N 0.838 109.775 108.800 0.228 0.000 2.616 100 G HA2 0.362 4.322 3.960 -0.001 0.000 0.268 100 G HA3 0.362 4.322 3.960 -0.001 0.000 0.268 100 G C -0.652 174.413 174.900 0.275 0.000 1.213 100 G CA -0.112 45.101 45.100 0.189 0.000 0.926 100 G HN 0.140 nan 8.290 nan 0.000 0.523 101 Y N -2.197 118.246 120.300 0.238 0.000 2.638 101 Y HA 0.701 5.251 4.550 -0.000 0.000 0.335 101 Y C -1.441 174.539 175.900 0.133 0.000 1.155 101 Y CA -1.855 56.350 58.100 0.174 0.000 1.046 101 Y CB 1.614 40.189 38.460 0.192 0.000 1.303 101 Y HN 0.628 nan 8.280 nan 0.000 0.460 102 L N 2.579 123.984 121.223 0.303 0.000 2.362 102 L HA 0.741 5.081 4.340 -0.001 0.000 0.275 102 L C -1.925 175.080 176.870 0.226 0.000 0.998 102 L CA -0.896 54.061 54.840 0.195 0.000 0.820 102 L CB 1.782 43.901 42.059 0.100 0.000 1.270 102 L HN 0.765 nan 8.230 nan 0.000 0.415 103 L N 4.716 126.048 121.223 0.183 0.000 2.333 103 L HA 0.688 5.028 4.340 -0.001 0.000 0.280 103 L C -0.664 176.239 176.870 0.055 0.000 1.004 103 L CA -0.414 54.481 54.840 0.092 0.000 0.820 103 L CB 1.760 43.833 42.059 0.023 0.000 1.247 103 L HN 0.707 nan 8.230 nan 0.000 0.416 104 E N 2.872 123.098 120.200 0.043 0.000 2.343 104 E HA 0.132 4.481 4.350 -0.001 0.000 0.286 104 E C -1.515 175.108 176.600 0.038 0.000 0.915 104 E CA -0.616 55.807 56.400 0.039 0.000 0.784 104 E CB 2.026 31.748 29.700 0.038 0.000 1.251 104 E HN 0.552 nan 8.360 nan 0.000 0.407 105 Q N 3.199 123.026 119.800 0.044 0.000 2.295 105 Q HA 0.326 4.666 4.340 -0.001 0.000 0.259 105 Q C -0.847 175.180 176.000 0.045 0.000 0.976 105 Q CA 0.485 56.321 55.803 0.055 0.000 0.923 105 Q CB 1.307 30.088 28.738 0.072 0.000 1.185 105 Q HN 0.629 nan 8.270 nan 0.000 0.410 106 T N 2.583 117.158 114.554 0.034 0.000 2.627 106 T HA 0.559 4.908 4.350 -0.001 0.000 0.294 106 T C -1.660 173.029 174.700 -0.018 0.000 1.230 106 T CA -0.696 61.411 62.100 0.011 0.000 1.084 106 T CB 1.070 69.940 68.868 0.004 0.000 1.693 106 T HN 0.537 nan 8.240 nan 0.000 0.465 107 R N 0.871 121.341 120.500 -0.051 0.000 2.628 107 R HA 0.632 4.971 4.340 -0.001 0.000 0.288 107 R C -1.229 175.015 176.300 -0.094 0.000 0.980 107 R CA -0.570 55.467 56.100 -0.105 0.000 0.891 107 R CB 1.309 31.524 30.300 -0.142 0.000 1.188 107 R HN 0.595 nan 8.270 nan 0.000 0.450 108 I N 2.787 123.289 120.570 -0.114 0.000 2.411 108 I HA 0.117 4.287 4.170 -0.001 0.000 0.284 108 I C -0.313 175.736 176.117 -0.113 0.000 1.012 108 I CA -0.737 60.501 61.300 -0.102 0.000 1.119 108 I CB 1.289 39.227 38.000 -0.105 0.000 1.261 108 I HN 0.668 nan 8.210 nan 0.000 0.448 109 N N 5.408 124.051 118.700 -0.095 0.000 2.699 109 N HA -0.317 4.423 4.740 -0.001 0.000 0.256 109 N C 0.507 175.948 175.510 -0.114 0.000 0.993 109 N CA 1.173 54.169 53.050 -0.090 0.000 0.759 109 N CB -1.017 37.423 38.487 -0.077 0.000 0.906 109 N HN 0.895 nan 8.380 nan 0.000 0.541 110 K N -3.084 117.229 120.400 -0.145 0.000 3.615 110 K HA -0.317 4.002 4.320 -0.001 0.000 0.264 110 K C -0.553 175.866 176.600 -0.302 0.000 1.090 110 K CA 1.336 57.508 56.287 -0.191 0.000 1.058 110 K CB -0.689 31.733 32.500 -0.131 0.000 1.304 110 K HN 0.433 nan 8.250 nan 0.000 0.513 111 R N 1.535 121.886 120.500 -0.249 0.000 2.298 111 R HA 0.247 4.586 4.340 -0.001 0.000 0.310 111 R C -0.780 175.320 176.300 -0.334 0.000 1.068 111 R CA -0.150 55.788 56.100 -0.271 0.000 0.957 111 R CB 0.378 30.581 30.300 -0.162 0.000 1.003 111 R HN 0.204 nan 8.270 nan 0.000 0.454 112 H N 1.211 120.058 119.070 -0.371 0.000 3.046 112 H HA 0.211 4.766 4.556 -0.001 0.000 0.303 112 H C 0.205 175.383 175.328 -0.251 0.000 1.002 112 H CA 0.207 56.010 56.048 -0.409 0.000 1.460 112 H CB 0.318 29.507 29.762 -0.954 0.000 1.493 112 H HN 0.347 nan 8.280 nan 0.000 0.559 113 V N 0.889 120.795 119.914 -0.013 0.000 3.130 113 V HA 0.690 4.810 4.120 -0.001 0.000 0.310 113 V C -0.726 175.396 176.094 0.046 0.000 1.158 113 V CA -1.046 61.262 62.300 0.014 0.000 1.029 113 V CB 2.261 34.069 31.823 -0.024 0.000 1.057 113 V HN 0.422 nan 8.190 nan 0.000 0.436 114 V N 3.683 123.629 119.914 0.053 0.000 2.444 114 V HA 0.570 4.689 4.120 -0.001 0.000 0.294 114 V C -0.058 176.054 176.094 0.030 0.000 1.022 114 V CA -0.361 61.967 62.300 0.045 0.000 0.850 114 V CB 1.289 33.145 31.823 0.054 0.000 0.992 114 V HN 0.977 nan 8.190 nan 0.000 0.426 115 I N 2.318 122.904 120.570 0.027 0.000 2.498 115 I HA 0.790 4.959 4.170 -0.001 0.000 0.301 115 I C -0.677 175.459 176.117 0.031 0.000 0.984 115 I CA -0.828 60.488 61.300 0.027 0.000 1.204 115 I CB 2.004 40.019 38.000 0.026 0.000 1.362 115 I HN 0.254 nan 8.210 nan 0.000 0.471 116 V N 5.353 125.284 119.914 0.028 0.000 2.304 116 V HA 0.705 4.825 4.120 -0.001 0.000 0.278 116 V C 0.391 176.522 176.094 0.062 0.000 1.018 116 V CA -0.238 62.083 62.300 0.034 0.000 0.814 116 V CB 0.739 32.552 31.823 -0.016 0.000 1.021 116 V HN 0.944 nan 8.190 nan 0.000 0.440 117 A N 4.188 127.070 122.820 0.103 0.000 2.355 117 A HA 1.053 5.373 4.320 -0.001 0.000 0.324 117 A C -0.164 177.508 177.584 0.146 0.000 1.117 117 A CA 0.004 52.100 52.037 0.098 0.000 0.785 117 A CB 1.915 20.960 19.000 0.075 0.000 1.254 117 A HN 1.388 nan 8.150 nan 0.000 0.453 118 A N 0.766 123.658 122.820 0.120 0.000 2.581 118 A HA 0.636 4.956 4.320 -0.001 0.000 0.290 118 A C 0.035 177.672 177.584 0.089 0.000 1.119 118 A CA -0.542 51.577 52.037 0.137 0.000 0.670 118 A CB 0.360 19.471 19.000 0.185 0.000 1.280 118 A HN 0.625 nan 8.150 nan 0.000 0.425 119 N N 0.195 118.945 118.700 0.084 0.000 2.333 119 N HA 0.008 4.748 4.740 -0.001 0.000 0.178 119 N C 0.892 176.434 175.510 0.052 0.000 1.018 119 N CA 1.506 54.590 53.050 0.058 0.000 0.882 119 N CB 0.019 38.535 38.487 0.049 0.000 0.984 119 N HN 0.801 nan 8.380 nan 0.000 0.434 120 S N -0.095 115.643 115.700 0.063 0.000 2.664 120 S HA 0.354 4.823 4.470 -0.001 0.000 0.304 120 S C 0.372 174.990 174.600 0.030 0.000 1.099 120 S CA -0.733 57.494 58.200 0.046 0.000 1.003 120 S CB 2.159 65.391 63.200 0.053 0.000 1.092 120 S HN -0.174 nan 8.310 nan 0.000 0.525 121 D N 0.842 121.246 120.400 0.007 0.000 2.144 121 D HA -0.083 4.557 4.640 -0.001 0.000 0.199 121 D C 1.928 178.188 176.300 -0.068 0.000 0.984 121 D CA 0.859 54.846 54.000 -0.022 0.000 0.834 121 D CB -0.473 40.311 40.800 -0.028 0.000 0.955 121 D HN 0.325 nan 8.370 nan 0.000 0.465 122 V N 0.781 120.640 119.914 -0.091 0.000 2.427 122 V HA -0.119 4.000 4.120 -0.001 0.000 0.248 122 V C 2.216 178.096 176.094 -0.357 0.000 1.051 122 V CA 2.240 64.377 62.300 -0.271 0.000 1.048 122 V CB -0.609 31.084 31.823 -0.218 0.000 0.666 122 V HN 0.264 nan 8.190 nan 0.000 0.456 123 G N -0.735 108.049 108.800 -0.026 0.000 2.418 123 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.217 123 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.217 123 G C 1.678 176.678 174.900 0.166 0.000 1.158 123 G CA 1.225 46.453 45.100 0.213 0.000 0.771 123 G HN 0.422 nan 8.290 nan 0.000 0.545 124 V N 0.669 120.614 119.914 0.053 0.000 2.343 124 V HA -0.146 3.973 4.120 -0.001 0.000 0.247 124 V C 2.694 178.755 176.094 -0.055 0.000 1.051 124 V CA 1.701 64.008 62.300 0.011 0.000 1.036 124 V CB -0.418 31.402 31.823 -0.005 0.000 0.654 124 V HN 0.373 nan 8.190 nan 0.000 0.451 125 L N -0.592 120.574 121.223 -0.096 0.000 1.994 125 L HA -0.182 4.158 4.340 -0.001 0.000 0.208 125 L C 2.384 179.307 176.870 0.088 0.000 1.071 125 L CA 2.200 56.995 54.840 -0.076 0.000 0.745 125 L CB -0.818 41.182 42.059 -0.099 0.000 0.892 125 L HN 0.342 nan 8.230 nan 0.000 0.431 126 Y N 0.182 120.569 120.300 0.144 0.000 2.181 126 Y HA -0.053 4.496 4.550 -0.001 0.000 0.288 126 Y C 2.591 178.274 175.900 -0.362 0.000 1.146 126 Y CA 0.868 59.001 58.100 0.054 0.000 1.164 126 Y CB -1.646 36.926 38.460 0.186 0.000 0.982 126 Y HN 0.260 nan 8.280 nan 0.000 0.515 127 G N -1.116 107.407 108.800 -0.463 0.000 2.422 127 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.218 127 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.218 127 G C 1.904 176.565 174.900 -0.399 0.000 1.146 127 G CA 1.167 45.672 45.100 -0.992 0.000 0.769 127 G HN 0.395 nan 8.290 nan 0.000 0.547 128 S N 0.703 116.273 115.700 -0.216 0.000 2.356 128 S HA -0.057 4.413 4.470 -0.001 0.000 0.223 128 S C 1.973 176.468 174.600 -0.176 0.000 1.032 128 S CA 0.957 59.035 58.200 -0.204 0.000 1.005 128 S CB -0.396 62.654 63.200 -0.250 0.000 0.867 128 S HN 0.305 nan 8.310 nan 0.000 0.449 129 F N 1.070 120.987 119.950 -0.055 0.000 2.171 129 F HA -0.090 4.437 4.527 -0.001 0.000 0.300 129 F C 2.315 178.114 175.800 -0.002 0.000 1.090 129 F CA 1.364 59.363 58.000 -0.001 0.000 1.293 129 F CB -0.724 38.291 39.000 0.026 0.000 1.013 129 F HN 0.387 nan 8.300 nan 0.000 0.486 130 H N -0.593 118.443 119.070 -0.057 0.000 2.357 130 H HA -0.136 4.419 4.556 -0.001 0.000 0.301 130 H C 2.459 177.747 175.328 -0.066 0.000 1.082 130 H CA 0.778 56.760 56.048 -0.110 0.000 1.342 130 H CB -0.057 29.566 29.762 -0.231 0.000 1.389 130 H HN 0.138 nan 8.280 nan 0.000 0.511 131 L N 1.060 122.242 121.223 -0.067 0.000 2.012 131 L HA -0.205 4.134 4.340 -0.001 0.000 0.210 131 L C 2.211 179.049 176.870 -0.053 0.000 1.073 131 L CA 1.457 56.230 54.840 -0.111 0.000 0.748 131 L CB -0.757 41.229 42.059 -0.121 0.000 0.891 131 L HN 0.446 nan 8.230 nan 0.000 0.431 132 L N -0.443 120.771 121.223 -0.015 0.000 2.046 132 L HA -0.259 4.080 4.340 -0.001 0.000 0.208 132 L C 2.820 179.744 176.870 0.090 0.000 1.077 132 L CA 1.428 56.275 54.840 0.013 0.000 0.747 132 L CB -0.491 41.611 42.059 0.072 0.000 0.896 132 L HN 0.320 nan 8.230 nan 0.000 0.432 133 R N 0.385 120.981 120.500 0.159 0.000 2.081 133 R HA -0.173 4.167 4.340 -0.001 0.000 0.235 133 R C 2.348 178.733 176.300 0.141 0.000 1.131 133 R CA 1.272 57.476 56.100 0.173 0.000 0.960 133 R CB -0.220 30.196 30.300 0.194 0.000 0.856 133 R HN 0.281 nan 8.270 nan 0.000 0.436 134 L N 0.380 121.673 121.223 0.116 0.000 2.013 134 L HA -0.256 4.083 4.340 -0.001 0.000 0.212 134 L C 2.439 179.390 176.870 0.134 0.000 1.073 134 L CA 1.616 56.516 54.840 0.100 0.000 0.753 134 L CB -0.364 41.706 42.059 0.018 0.000 0.890 134 L HN 0.323 nan 8.230 nan 0.000 0.432 135 I N -0.920 119.628 120.570 -0.037 0.000 2.252 135 I HA -0.303 3.867 4.170 -0.001 0.000 0.245 135 I C 2.557 178.648 176.117 -0.043 0.000 1.102 135 I CA 1.173 62.322 61.300 -0.252 0.000 1.385 135 I CB -0.229 37.480 38.000 -0.483 0.000 1.064 135 I HN 0.342 nan 8.210 nan 0.000 0.414 136 Q N -0.049 119.773 119.800 0.037 0.000 2.226 136 Q HA -0.181 4.159 4.340 -0.001 0.000 0.204 136 Q C 1.733 177.794 176.000 0.103 0.000 0.975 136 Q CA 1.976 57.826 55.803 0.078 0.000 0.866 136 Q CB -0.112 28.689 28.738 0.106 0.000 0.915 136 Q HN 0.600 nan 8.270 nan 0.000 0.440 137 T N -3.245 111.412 114.554 0.172 0.000 3.145 137 T HA 0.131 4.480 4.350 -0.001 0.000 0.255 137 T C 0.026 174.862 174.700 0.226 0.000 1.039 137 T CA -0.318 61.918 62.100 0.227 0.000 0.928 137 T CB 0.326 69.396 68.868 0.338 0.000 1.029 137 T HN 0.190 nan 8.240 nan 0.000 0.554 138 Q N 0.649 120.586 119.800 0.228 0.000 2.463 138 Q HA -0.180 4.160 4.340 -0.001 0.000 0.299 138 Q C -0.990 175.065 176.000 0.092 0.000 1.353 138 Q CA 0.413 56.349 55.803 0.223 0.000 0.828 138 Q CB -1.998 26.797 28.738 0.094 0.000 1.157 138 Q HN 0.769 nan 8.270 nan 0.000 0.436 139 H N -0.593 118.598 119.070 0.203 0.000 2.481 139 H HA 0.586 5.142 4.556 -0.001 0.000 0.339 139 H C 0.298 175.747 175.328 0.201 0.000 1.131 139 H CA 0.339 56.481 56.048 0.156 0.000 1.301 139 H CB 1.106 30.943 29.762 0.124 0.000 1.476 139 H HN 0.396 nan 8.280 nan 0.000 0.529 140 A N 2.669 125.608 122.820 0.198 0.000 2.401 140 A HA 0.157 4.476 4.320 -0.001 0.000 0.259 140 A C 0.482 178.168 177.584 0.170 0.000 1.103 140 A CA -0.379 51.736 52.037 0.130 0.000 0.789 140 A CB 0.223 19.247 19.000 0.040 0.000 1.035 140 A HN 0.616 nan 8.150 nan 0.000 0.491 141 L N 0.875 122.207 121.223 0.182 0.000 2.341 141 L HA 0.119 4.458 4.340 -0.001 0.000 0.214 141 L C 1.155 178.084 176.870 0.098 0.000 1.115 141 L CA 0.949 55.879 54.840 0.150 0.000 0.820 141 L CB -1.050 41.122 42.059 0.188 0.000 0.944 141 L HN 0.831 nan 8.230 nan 0.000 0.452 142 E N 0.700 120.944 120.200 0.073 0.000 2.415 142 E HA -0.023 4.327 4.350 -0.001 0.000 0.263 142 E C 0.516 177.150 176.600 0.056 0.000 0.995 142 E CA 0.332 56.766 56.400 0.057 0.000 0.915 142 E CB 0.138 29.857 29.700 0.031 0.000 0.951 142 E HN 0.111 nan 8.360 nan 0.000 0.449 143 K N 1.453 121.887 120.400 0.056 0.000 3.274 143 K HA -0.243 4.076 4.320 -0.001 0.000 0.300 143 K C -0.160 176.470 176.600 0.050 0.000 1.230 143 K CA 0.441 56.758 56.287 0.050 0.000 0.884 143 K CB -1.531 30.994 32.500 0.042 0.000 1.242 143 K HN 0.472 nan 8.250 nan 0.000 0.467 144 L N 1.067 122.324 121.223 0.056 0.000 2.559 144 L HA 0.136 4.475 4.340 -0.001 0.000 0.274 144 L C -0.035 176.859 176.870 0.041 0.000 1.205 144 L CA 1.202 56.072 54.840 0.049 0.000 0.907 144 L CB 1.172 43.260 42.059 0.047 0.000 1.153 144 L HN 0.141 nan 8.230 nan 0.000 0.490 145 S N 6.028 121.750 115.700 0.038 0.000 2.446 145 S HA 0.640 5.110 4.470 -0.001 0.000 0.230 145 S C -1.306 173.317 174.600 0.038 0.000 1.051 145 S CA -0.678 57.543 58.200 0.036 0.000 1.113 145 S CB -0.005 63.214 63.200 0.033 0.000 1.184 145 S HN 0.812 nan 8.310 nan 0.000 0.435 146 L N 2.178 123.427 121.223 0.043 0.000 2.465 146 L HA 1.038 5.378 4.340 -0.001 0.000 0.257 146 L C -0.692 176.215 176.870 0.060 0.000 0.988 146 L CA -0.471 54.400 54.840 0.051 0.000 0.827 146 L CB 1.849 43.945 42.059 0.061 0.000 1.397 146 L HN 0.441 nan 8.230 nan 0.000 0.410 147 S N 0.603 116.319 115.700 0.026 0.000 2.570 147 S HA 0.939 5.409 4.470 -0.001 0.000 0.286 147 S C -0.640 173.894 174.600 -0.109 0.000 1.099 147 S CA -0.409 57.764 58.200 -0.045 0.000 0.913 147 S CB 1.683 64.862 63.200 -0.035 0.000 1.085 147 S HN 1.180 nan 8.310 nan 0.000 0.480 148 S N -0.092 115.414 115.700 -0.323 0.000 2.535 148 S HA 0.792 5.261 4.470 -0.001 0.000 0.272 148 S C -1.422 173.067 174.600 -0.186 0.000 1.149 148 S CA -0.220 57.858 58.200 -0.203 0.000 0.888 148 S CB 1.289 64.445 63.200 -0.073 0.000 1.110 148 S HN 1.731 nan 8.310 nan 0.000 0.463 149 A N 4.141 126.912 122.820 -0.083 0.000 2.475 149 A HA 0.924 5.243 4.320 -0.001 0.000 0.301 149 A C -3.057 174.140 177.584 -0.645 0.000 1.059 149 A CA -1.704 50.198 52.037 -0.224 0.000 0.710 149 A CB 1.375 20.263 19.000 -0.187 0.000 1.288 149 A HN 0.552 nan 8.150 nan 0.000 0.408 150 P HA 0.272 nan 4.420 nan 0.000 0.271 150 P C -0.104 176.771 177.300 -0.708 0.000 1.218 150 P CA -0.138 62.031 63.100 -1.553 0.000 0.780 150 P CB 0.822 31.625 31.700 -1.495 0.000 0.901 151 R N 0.940 121.121 120.500 -0.532 0.000 2.300 151 R HA 0.280 4.619 4.340 -0.001 0.000 0.199 151 R C 0.353 176.550 176.300 -0.172 0.000 0.920 151 R CA 0.209 56.150 56.100 -0.266 0.000 1.046 151 R CB -0.041 30.152 30.300 -0.179 0.000 0.984 151 R HN 0.430 nan 8.270 nan 0.000 0.493 152 L N -0.141 120.951 121.223 -0.219 0.000 2.381 152 L HA 0.293 4.632 4.340 -0.001 0.000 0.268 152 L C 0.969 177.734 176.870 -0.175 0.000 0.997 152 L CA -0.603 54.148 54.840 -0.148 0.000 0.818 152 L CB 2.290 44.280 42.059 -0.114 0.000 1.310 152 L HN -0.114 nan 8.230 nan 0.000 0.416 153 Q N 0.569 120.285 119.800 -0.139 0.000 2.049 153 Q HA -0.041 4.298 4.340 -0.001 0.000 0.198 153 Q C -0.127 175.717 176.000 -0.261 0.000 0.971 153 Q CA 1.298 56.958 55.803 -0.238 0.000 0.833 153 Q CB 0.253 28.792 28.738 -0.331 0.000 0.896 153 Q HN 0.606 nan 8.270 nan 0.000 0.434 154 H N 0.342 119.449 119.070 0.060 0.000 2.700 154 H HA 0.312 4.868 4.556 -0.001 0.000 0.269 154 H C -0.969 174.344 175.328 -0.024 0.000 1.222 154 H CA -0.343 55.755 56.048 0.083 0.000 1.254 154 H CB 0.519 30.367 29.762 0.143 0.000 1.413 154 H HN 0.023 nan 8.280 nan 0.000 0.507 155 R N 2.879 123.435 120.500 0.092 0.000 2.278 155 R HA 0.362 4.702 4.340 -0.001 0.000 0.322 155 R C -0.933 175.429 176.300 0.104 0.000 1.058 155 R CA -0.561 55.557 56.100 0.030 0.000 0.991 155 R CB 1.421 31.699 30.300 -0.038 0.000 1.140 155 R HN 0.278 nan 8.270 nan 0.000 0.518 156 V N 3.085 123.059 119.914 0.100 0.000 2.960 156 V HA 0.645 4.765 4.120 -0.001 0.000 0.315 156 V C -0.410 175.731 176.094 0.079 0.000 1.087 156 V CA -0.803 61.542 62.300 0.075 0.000 0.982 156 V CB 2.441 34.200 31.823 -0.106 0.000 1.039 156 V HN 0.433 nan 8.190 nan 0.000 0.437 157 V N 2.525 122.446 119.914 0.012 0.000 2.881 157 V HA 0.769 4.889 4.120 -0.001 0.000 0.316 157 V C -0.633 175.346 176.094 -0.193 0.000 1.070 157 V CA -0.808 61.370 62.300 -0.205 0.000 0.976 157 V CB 1.892 33.584 31.823 -0.217 0.000 1.038 157 V HN 0.874 nan 8.190 nan 0.000 0.446 158 N N 0.781 119.240 118.700 -0.402 0.000 2.284 158 N HA 0.490 5.229 4.740 -0.001 0.000 0.300 158 N C -1.158 174.066 175.510 -0.476 0.000 1.047 158 N CA -0.461 52.433 53.050 -0.260 0.000 0.821 158 N CB 1.200 39.561 38.487 -0.209 0.000 1.337 158 N HN 0.813 nan 8.380 nan 0.000 0.482 159 H N 1.314 120.406 119.070 0.037 0.000 2.595 159 H HA 0.166 4.722 4.556 -0.001 0.000 0.313 159 H C -0.139 175.344 175.328 0.258 0.000 1.023 159 H CA -0.364 55.736 56.048 0.087 0.000 1.218 159 H CB 0.947 30.897 29.762 0.314 0.000 1.403 159 H HN 0.486 nan 8.280 nan 0.000 0.477 160 W N 3.197 124.500 121.300 0.005 0.000 1.992 160 W HA 0.094 4.753 4.660 -0.002 0.000 0.449 160 W C -0.410 176.081 176.519 -0.047 0.000 0.617 160 W CA -0.885 56.425 57.345 -0.058 0.000 2.341 160 W CB -1.087 28.255 29.460 -0.197 0.000 1.156 160 W HN 0.433 nan 8.180 nan 0.000 0.538 161 D N 0.884 121.471 120.400 0.312 0.000 2.249 161 D HA 0.072 4.712 4.640 -0.001 0.000 0.246 161 D C 0.496 176.929 176.300 0.222 0.000 1.114 161 D CA -0.011 54.139 54.000 0.250 0.000 0.854 161 D CB 0.729 41.750 40.800 0.369 0.000 1.132 161 D HN -0.099 nan 8.370 nan 0.000 0.461 162 N N 1.411 120.204 118.700 0.156 0.000 2.483 162 N HA 0.169 4.909 4.740 -0.001 0.000 0.269 162 N C 1.226 176.855 175.510 0.197 0.000 1.209 162 N CA -0.390 52.741 53.050 0.135 0.000 0.969 162 N CB 1.100 39.662 38.487 0.124 0.000 1.173 162 N HN 0.328 nan 8.380 nan 0.000 0.475 163 L N 0.881 122.151 121.223 0.078 0.000 2.376 163 L HA -0.110 4.230 4.340 -0.001 0.000 0.219 163 L C 1.588 178.581 176.870 0.205 0.000 1.133 163 L CA 0.598 55.459 54.840 0.035 0.000 0.816 163 L CB -0.406 41.417 42.059 -0.393 0.000 0.933 163 L HN 0.557 nan 8.230 nan 0.000 0.449 164 N N 1.133 119.931 118.700 0.163 0.000 2.609 164 N HA -0.205 4.534 4.740 -0.001 0.000 0.190 164 N C 0.695 176.333 175.510 0.213 0.000 1.157 164 N CA 0.435 53.595 53.050 0.183 0.000 0.918 164 N CB -0.116 38.447 38.487 0.126 0.000 0.978 164 N HN 0.291 nan 8.380 nan 0.000 0.448 165 R N -2.655 117.997 120.500 0.254 0.000 3.804 165 R HA -0.095 4.245 4.340 -0.001 0.000 0.459 165 R C -0.916 175.456 176.300 0.120 0.000 1.009 165 R CA 0.697 56.917 56.100 0.200 0.000 1.210 165 R CB -2.411 27.986 30.300 0.162 0.000 1.860 165 R HN 0.094 nan 8.270 nan 0.000 0.526 166 V N 2.049 122.047 119.914 0.138 0.000 2.530 166 V HA 0.225 4.345 4.120 -0.001 0.000 0.282 166 V C 0.876 177.025 176.094 0.093 0.000 1.048 166 V CA -0.230 62.150 62.300 0.133 0.000 0.997 166 V CB 1.711 33.656 31.823 0.203 0.000 0.987 166 V HN -0.006 nan 8.190 nan 0.000 0.477 167 V N 4.574 124.499 119.914 0.020 0.000 2.407 167 V HA 0.267 4.386 4.120 -0.001 0.000 0.278 167 V C 0.324 176.257 176.094 -0.267 0.000 1.037 167 V CA -0.587 61.664 62.300 -0.082 0.000 0.900 167 V CB 1.376 33.137 31.823 -0.104 0.000 0.983 167 V HN 0.968 nan 8.190 nan 0.000 0.459 168 E N 5.896 125.813 120.200 -0.470 0.000 2.257 168 E HA 0.205 4.554 4.350 -0.001 0.000 0.278 168 E C -0.102 176.153 176.600 -0.574 0.000 1.049 168 E CA -0.519 55.215 56.400 -1.110 0.000 0.876 168 E CB 0.176 29.122 29.700 -1.257 0.000 1.035 168 E HN 0.520 nan 8.360 nan 0.000 0.419 169 R N 1.879 122.017 120.500 -0.603 0.000 3.261 169 R HA -0.133 4.207 4.340 -0.001 0.000 0.257 169 R C -0.567 175.130 176.300 -1.005 0.000 1.014 169 R CA 0.879 56.642 56.100 -0.561 0.000 0.681 169 R CB -2.499 27.738 30.300 -0.105 0.000 1.155 169 R HN 0.612 nan 8.270 nan 0.000 0.424 170 G N 0.191 108.338 108.800 -1.089 0.000 2.533 170 G HA2 0.543 4.502 3.960 -0.001 0.000 0.310 170 G HA3 0.543 4.502 3.960 -0.001 0.000 0.310 170 G C -0.138 174.292 174.900 -0.783 0.000 1.266 170 G CA -0.546 44.082 45.100 -0.786 0.000 0.967 170 G HN 0.219 nan 8.290 nan 0.000 0.493 171 Y N 1.306 121.562 120.300 -0.074 0.000 2.612 171 Y HA 0.453 5.002 4.550 -0.001 0.000 0.250 171 Y C 1.519 177.454 175.900 0.058 0.000 1.175 171 Y CA -0.316 57.773 58.100 -0.017 0.000 1.205 171 Y CB 1.006 39.464 38.460 -0.004 0.000 1.201 171 Y HN 0.632 nan 8.280 nan 0.000 0.532 172 A N -0.324 122.552 122.820 0.093 0.000 2.616 172 A HA 0.687 5.007 4.320 -0.001 0.000 0.294 172 A C 1.083 178.702 177.584 0.057 0.000 1.091 172 A CA 0.211 52.318 52.037 0.116 0.000 0.971 172 A CB -0.455 18.630 19.000 0.143 0.000 1.222 172 A HN 0.502 nan 8.150 nan 0.000 0.521 173 G N -0.645 108.174 108.800 0.032 0.000 2.526 173 G HA2 -0.040 3.919 3.960 -0.001 0.000 0.250 173 G HA3 -0.040 3.919 3.960 -0.001 0.000 0.250 173 G C -0.438 174.447 174.900 -0.026 0.000 1.289 173 G CA -0.527 44.576 45.100 0.005 0.000 0.947 173 G HN 0.609 nan 8.290 nan 0.000 0.517 174 L N 0.388 121.589 121.223 -0.038 0.000 2.466 174 L HA 0.515 4.854 4.340 -0.001 0.000 0.257 174 L C 1.708 178.506 176.870 -0.120 0.000 1.189 174 L CA 0.135 54.947 54.840 -0.047 0.000 0.813 174 L CB 1.111 43.153 42.059 -0.029 0.000 1.118 174 L HN 0.815 nan 8.230 nan 0.000 0.471 175 S N 0.320 115.943 115.700 -0.128 0.000 2.558 175 S HA 0.045 4.515 4.470 -0.001 0.000 0.288 175 S C 1.150 175.451 174.600 -0.499 0.000 1.318 175 S CA -0.418 57.600 58.200 -0.304 0.000 1.056 175 S CB 0.324 63.432 63.200 -0.152 0.000 0.853 175 S HN 0.501 nan 8.310 nan 0.000 0.505 176 L N 3.173 123.840 121.223 -0.928 0.000 2.265 176 L HA 0.002 4.342 4.340 -0.001 0.000 0.215 176 L C 0.409 176.929 176.870 -0.583 0.000 1.117 176 L CA 0.536 54.855 54.840 -0.869 0.000 0.782 176 L CB -0.221 41.122 42.059 -1.193 0.000 0.914 176 L HN 0.695 nan 8.230 nan 0.000 0.441 177 W N 0.011 121.140 121.300 -0.285 0.000 2.416 177 W HA 0.206 4.866 4.660 0.000 0.000 0.318 177 W C 0.056 176.126 176.519 -0.748 0.000 1.150 177 W CA -1.063 55.875 57.345 -0.679 0.000 1.392 177 W CB 0.001 28.708 29.460 -1.254 0.000 1.311 177 W HN -0.134 nan 8.180 nan 0.000 0.436 178 D N 3.237 123.533 120.400 -0.174 0.000 2.563 178 D HA 0.091 4.730 4.640 -0.001 0.000 0.222 178 D C 0.561 176.869 176.300 0.014 0.000 1.145 178 D CA -0.479 53.497 54.000 -0.041 0.000 1.001 178 D CB -0.027 40.834 40.800 0.102 0.000 1.049 178 D HN 0.392 nan 8.370 nan 0.000 0.515 179 W N 1.892 123.323 121.300 0.218 0.000 2.350 179 W HA -0.040 4.619 4.660 -0.002 0.000 0.289 179 W C 2.423 178.983 176.519 0.068 0.000 1.215 179 W CA 0.535 57.976 57.345 0.160 0.000 1.236 179 W CB -0.135 29.493 29.460 0.280 0.000 1.130 179 W HN 0.442 nan 8.180 nan 0.000 0.541 180 G N -0.183 108.787 108.800 0.283 0.000 2.443 180 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.219 180 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.219 180 G C 1.428 176.407 174.900 0.133 0.000 1.131 180 G CA 1.361 46.563 45.100 0.171 0.000 0.775 180 G HN 0.329 nan 8.290 nan 0.000 0.547 181 S N -0.900 114.896 115.700 0.161 0.000 2.539 181 S HA 0.410 4.880 4.470 -0.001 0.000 0.221 181 S C 0.676 175.391 174.600 0.191 0.000 0.987 181 S CA -0.553 57.754 58.200 0.178 0.000 0.929 181 S CB 0.087 63.437 63.200 0.250 0.000 0.832 181 S HN 0.127 nan 8.310 nan 0.000 0.492 182 L N 2.525 123.846 121.223 0.164 0.000 2.375 182 L HA 0.387 4.726 4.340 -0.001 0.000 0.271 182 L C -1.421 175.494 176.870 0.075 0.000 1.107 182 L CA -2.105 52.808 54.840 0.122 0.000 0.806 182 L CB 1.129 43.256 42.059 0.113 0.000 1.146 182 L HN -0.007 nan 8.230 nan 0.000 0.447 183 P HA 0.028 nan 4.420 nan 0.000 0.245 183 P C 0.366 177.713 177.300 0.079 0.000 1.206 183 P CA 0.523 63.648 63.100 0.042 0.000 0.781 183 P CB 0.217 31.926 31.700 0.015 0.000 0.994 184 N N -0.428 118.333 118.700 0.102 0.000 2.104 184 N HA -0.175 4.565 4.740 -0.001 0.000 0.190 184 N C 0.418 176.052 175.510 0.207 0.000 1.024 184 N CA 0.966 54.091 53.050 0.125 0.000 0.853 184 N CB -0.910 37.641 38.487 0.107 0.000 1.008 184 N HN 0.194 nan 8.380 nan 0.000 0.424 185 Y N 1.680 122.026 120.300 0.078 0.000 2.454 185 Y HA 0.359 4.909 4.550 0.001 0.000 0.345 185 Y C -0.763 175.233 175.900 0.160 0.000 0.970 185 Y CA -1.459 56.694 58.100 0.088 0.000 1.204 185 Y CB 0.080 38.578 38.460 0.062 0.000 1.122 185 Y HN -0.056 nan 8.280 nan 0.000 0.514 186 L N 7.222 128.409 121.223 -0.061 0.000 2.389 186 L HA 0.432 4.771 4.340 -0.001 0.000 0.265 186 L C 0.680 177.287 176.870 -0.438 0.000 1.167 186 L CA -0.663 54.133 54.840 -0.074 0.000 1.045 186 L CB -0.287 41.807 42.059 0.058 0.000 1.351 186 L HN 0.731 nan 8.230 nan 0.000 0.419 187 A N 4.181 126.434 122.820 -0.944 0.000 2.511 187 A HA 0.259 4.579 4.320 -0.001 0.000 0.242 187 A C -1.205 176.087 177.584 -0.487 0.000 1.069 187 A CA -0.935 50.417 52.037 -1.142 0.000 0.763 187 A CB 0.115 18.288 19.000 -1.378 0.000 1.001 187 A HN 0.467 nan 8.150 nan 0.000 0.498 188 P HA -0.200 nan 4.420 nan 0.000 0.217 188 P C 1.570 178.912 177.300 0.069 0.000 1.148 188 P CA 1.408 64.507 63.100 -0.001 0.000 0.834 188 P CB 0.062 31.789 31.700 0.046 0.000 0.783 189 R N -1.448 119.033 120.500 -0.032 0.000 2.120 189 R HA -0.180 4.160 4.340 -0.001 0.000 0.234 189 R C 2.056 178.559 176.300 0.338 0.000 1.123 189 R CA 1.255 57.446 56.100 0.151 0.000 0.975 189 R CB -0.586 29.691 30.300 -0.037 0.000 0.866 189 R HN 0.147 nan 8.270 nan 0.000 0.446 190 Y N -0.158 120.313 120.300 0.285 0.000 2.181 190 Y HA -0.160 4.390 4.550 -0.000 0.000 0.288 190 Y C 2.474 178.678 175.900 0.507 0.000 1.146 190 Y CA 1.449 59.810 58.100 0.435 0.000 1.164 190 Y CB -0.982 37.619 38.460 0.235 0.000 0.982 190 Y HN 0.036 nan 8.280 nan 0.000 0.515 191 T N -0.293 114.538 114.554 0.462 0.000 2.812 191 T HA -0.130 4.220 4.350 -0.001 0.000 0.264 191 T C 1.384 176.175 174.700 0.153 0.000 1.042 191 T CA 1.492 63.787 62.100 0.325 0.000 1.140 191 T CB -0.295 68.744 68.868 0.285 0.000 0.870 191 T HN 0.288 nan 8.240 nan 0.000 0.445 192 D N 0.174 120.714 120.400 0.233 0.000 2.178 192 D HA -0.072 4.567 4.640 -0.001 0.000 0.201 192 D C 1.643 177.934 176.300 -0.015 0.000 0.980 192 D CA 0.808 54.880 54.000 0.121 0.000 0.842 192 D CB -0.319 40.646 40.800 0.276 0.000 0.948 192 D HN 0.471 nan 8.370 nan 0.000 0.472 193 Y N 1.707 122.093 120.300 0.143 0.000 2.181 193 Y HA -0.180 4.370 4.550 -0.000 0.000 0.288 193 Y C 2.282 178.115 175.900 -0.113 0.000 1.146 193 Y CA 1.830 59.947 58.100 0.028 0.000 1.164 193 Y CB -0.256 38.483 38.460 0.465 0.000 0.982 193 Y HN -0.055 nan 8.280 nan 0.000 0.515 194 A N 0.659 123.458 122.820 -0.035 0.000 1.933 194 A HA -0.180 4.139 4.320 -0.001 0.000 0.218 194 A C 2.281 179.574 177.584 -0.485 0.000 1.175 194 A CA 1.772 53.655 52.037 -0.257 0.000 0.628 194 A CB -0.623 18.387 19.000 0.015 0.000 0.814 194 A HN 0.556 nan 8.150 nan 0.000 0.444 195 R N -0.690 119.450 120.500 -0.600 0.000 2.073 195 R HA -0.041 4.299 4.340 -0.001 0.000 0.234 195 R C 2.018 178.071 176.300 -0.412 0.000 1.134 195 R CA 1.579 57.428 56.100 -0.417 0.000 0.952 195 R CB -0.489 29.677 30.300 -0.223 0.000 0.850 195 R HN 0.562 nan 8.270 nan 0.000 0.433 196 I N 1.202 121.438 120.570 -0.556 0.000 2.127 196 I HA -0.346 3.824 4.170 -0.001 0.000 0.241 196 I C 1.965 177.810 176.117 -0.454 0.000 1.075 196 I CA 1.333 62.201 61.300 -0.721 0.000 1.334 196 I CB -0.304 37.006 38.000 -1.149 0.000 1.040 196 I HN 0.222 nan 8.210 nan 0.000 0.405 197 N N 0.733 119.190 118.700 -0.405 0.000 2.142 197 N HA -0.097 4.643 4.740 -0.001 0.000 0.186 197 N C 1.879 177.303 175.510 -0.144 0.000 1.023 197 N CA 1.533 54.475 53.050 -0.179 0.000 0.852 197 N CB -0.293 38.071 38.487 -0.205 0.000 0.998 197 N HN 0.347 nan 8.380 nan 0.000 0.424 198 A N 1.090 123.817 122.820 -0.156 0.000 1.972 198 A HA -0.140 4.180 4.320 -0.001 0.000 0.219 198 A C 2.376 179.703 177.584 -0.429 0.000 1.169 198 A CA 1.900 53.938 52.037 0.001 0.000 0.635 198 A CB -0.728 18.458 19.000 0.309 0.000 0.810 198 A HN 0.451 nan 8.150 nan 0.000 0.446 199 S N -0.212 114.876 115.700 -1.020 0.000 2.419 199 S HA -0.080 4.390 4.470 -0.001 0.000 0.235 199 S C 1.603 175.878 174.600 -0.541 0.000 1.019 199 S CA 1.552 58.970 58.200 -1.304 0.000 0.982 199 S CB -0.506 62.233 63.200 -0.767 0.000 0.789 199 S HN 0.482 nan 8.310 nan 0.000 0.490 200 L N 0.138 121.126 121.223 -0.392 0.000 2.554 200 L HA 0.359 4.698 4.340 -0.001 0.000 0.225 200 L C 2.005 178.650 176.870 -0.374 0.000 1.104 200 L CA 0.433 55.031 54.840 -0.405 0.000 0.866 200 L CB -0.402 41.483 42.059 -0.291 0.000 1.047 200 L HN 0.608 nan 8.230 nan 0.000 0.468 201 G N 0.412 109.008 108.800 -0.341 0.000 2.176 201 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.232 201 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.232 201 G C 0.279 175.100 174.900 -0.131 0.000 0.986 201 G CA -0.532 44.301 45.100 -0.445 0.000 0.643 201 G HN 0.094 nan 8.290 nan 0.000 0.522 202 I N 2.357 122.913 120.570 -0.024 0.000 2.598 202 I HA 0.133 4.302 4.170 -0.001 0.000 0.284 202 I C 0.946 177.168 176.117 0.176 0.000 1.140 202 I CA 0.398 61.747 61.300 0.081 0.000 1.420 202 I CB 0.754 38.823 38.000 0.115 0.000 1.387 202 I HN 0.444 nan 8.210 nan 0.000 0.553 203 N N 4.040 122.872 118.700 0.219 0.000 2.282 203 N HA 0.281 5.020 4.740 -0.001 0.000 0.240 203 N C -0.072 175.646 175.510 0.346 0.000 1.182 203 N CA -0.343 52.893 53.050 0.311 0.000 0.874 203 N CB 1.037 39.724 38.487 0.333 0.000 1.126 203 N HN 0.582 nan 8.380 nan 0.000 0.516 204 G N -0.575 108.415 108.800 0.316 0.000 2.732 204 G HA2 0.535 4.495 3.960 -0.001 0.000 0.296 204 G HA3 0.535 4.495 3.960 -0.001 0.000 0.296 204 G C -1.668 173.417 174.900 0.307 0.000 1.448 204 G CA -0.566 44.791 45.100 0.428 0.000 0.911 204 G HN 0.320 nan 8.290 nan 0.000 0.528 205 T N -1.684 113.123 114.554 0.422 0.000 2.971 205 T HA 0.590 4.940 4.350 -0.001 0.000 0.304 205 T C -0.849 174.101 174.700 0.418 0.000 1.038 205 T CA -0.669 61.651 62.100 0.368 0.000 1.007 205 T CB 1.651 70.758 68.868 0.398 0.000 1.055 205 T HN 0.763 nan 8.240 nan 0.000 0.451 206 V N 5.385 125.502 119.914 0.338 0.000 2.348 206 V HA 0.283 4.403 4.120 -0.001 0.000 0.270 206 V C 1.615 177.965 176.094 0.427 0.000 1.037 206 V CA -0.660 61.855 62.300 0.359 0.000 0.872 206 V CB 0.244 32.239 31.823 0.286 0.000 1.002 206 V HN 0.982 nan 8.190 nan 0.000 0.464 207 I N 1.816 122.596 120.570 0.349 0.000 3.419 207 I HA 0.209 4.378 4.170 -0.001 0.000 0.286 207 I C 0.725 177.120 176.117 0.463 0.000 1.268 207 I CA 0.276 61.763 61.300 0.313 0.000 1.414 207 I CB -0.002 37.859 38.000 -0.232 0.000 1.074 207 I HN 0.678 nan 8.210 nan 0.000 0.457 208 N N 1.401 120.325 118.700 0.373 0.000 2.292 208 N HA 0.181 4.921 4.740 -0.001 0.000 0.303 208 N C -0.901 174.779 175.510 0.283 0.000 1.140 208 N CA -0.719 52.526 53.050 0.325 0.000 0.788 208 N CB 0.691 39.303 38.487 0.208 0.000 1.361 208 N HN -0.040 nan 8.380 nan 0.000 0.489 209 N N 0.260 119.092 118.700 0.220 0.000 2.293 209 N HA -0.081 4.658 4.740 -0.001 0.000 0.253 209 N C 1.564 177.093 175.510 0.032 0.000 1.248 209 N CA 0.047 53.169 53.050 0.120 0.000 0.845 209 N CB 0.756 39.254 38.487 0.019 0.000 1.073 209 N HN 0.511 nan 8.380 nan 0.000 0.464 210 V N 0.854 120.716 119.914 -0.087 0.000 2.490 210 V HA -0.069 4.050 4.120 -0.001 0.000 0.250 210 V C 0.577 176.596 176.094 -0.124 0.000 1.061 210 V CA 1.052 63.286 62.300 -0.110 0.000 1.064 210 V CB -0.491 31.218 31.823 -0.190 0.000 0.670 210 V HN 0.506 nan 8.190 nan 0.000 0.461 211 N N 2.715 121.312 118.700 -0.172 0.000 2.549 211 N HA 0.496 5.235 4.740 -0.001 0.000 0.267 211 N C 0.012 175.497 175.510 -0.042 0.000 1.182 211 N CA 0.772 53.769 53.050 -0.089 0.000 1.019 211 N CB 0.786 39.219 38.487 -0.090 0.000 1.380 211 N HN 0.711 nan 8.380 nan 0.000 0.505 212 A N 1.193 124.001 122.820 -0.020 0.000 2.327 212 A HA 0.228 4.548 4.320 -0.001 0.000 0.283 212 A C 0.100 177.677 177.584 -0.012 0.000 1.127 212 A CA -0.613 51.421 52.037 -0.006 0.000 0.810 212 A CB 0.721 19.729 19.000 0.013 0.000 1.066 212 A HN 0.388 nan 8.150 nan 0.000 0.492 213 D N 2.895 123.269 120.400 -0.042 0.000 2.329 213 D HA 0.318 4.958 4.640 -0.001 0.000 0.232 213 D C -1.614 174.635 176.300 -0.085 0.000 1.088 213 D CA -1.696 52.250 54.000 -0.090 0.000 0.835 213 D CB 1.618 42.322 40.800 -0.160 0.000 1.078 213 D HN 0.243 nan 8.370 nan 0.000 0.495 214 P HA -0.057 nan 4.420 nan 0.000 0.230 214 P C 1.064 178.382 177.300 0.030 0.000 1.158 214 P CA 0.362 63.489 63.100 0.046 0.000 0.769 214 P CB 0.482 32.198 31.700 0.026 0.000 0.807 215 R N 0.348 120.744 120.500 -0.174 0.000 2.152 215 R HA -0.063 4.276 4.340 -0.001 0.000 0.232 215 R C 2.248 178.431 176.300 -0.195 0.000 1.117 215 R CA 1.448 57.412 56.100 -0.227 0.000 0.981 215 R CB -0.940 29.084 30.300 -0.459 0.000 0.870 215 R HN 0.218 nan 8.270 nan 0.000 0.451 216 V N -1.249 118.507 119.914 -0.263 0.000 2.720 216 V HA -0.130 3.989 4.120 -0.001 0.000 0.256 216 V C 1.661 177.757 176.094 0.003 0.000 1.082 216 V CA 1.562 63.746 62.300 -0.193 0.000 1.101 216 V CB -0.552 31.176 31.823 -0.158 0.000 0.693 216 V HN 0.222 nan 8.190 nan 0.000 0.479 217 L N 1.794 123.081 121.223 0.107 0.000 2.591 217 L HA 0.222 4.561 4.340 -0.001 0.000 0.228 217 L C 1.319 178.263 176.870 0.123 0.000 1.133 217 L CA 0.440 55.328 54.840 0.081 0.000 0.880 217 L CB -0.376 41.711 42.059 0.046 0.000 1.033 217 L HN 0.558 nan 8.230 nan 0.000 0.450 218 S N -1.971 113.910 115.700 0.301 0.000 2.610 218 S HA 0.119 4.588 4.470 -0.001 0.000 0.273 218 S C 0.807 175.468 174.600 0.102 0.000 1.274 218 S CA -0.818 57.569 58.200 0.311 0.000 1.023 218 S CB 1.502 64.910 63.200 0.346 0.000 0.962 218 S HN 0.089 nan 8.310 nan 0.000 0.523 219 D N 0.871 121.319 120.400 0.080 0.000 2.133 219 D HA -0.215 4.425 4.640 -0.001 0.000 0.195 219 D C 1.863 178.111 176.300 -0.086 0.000 0.997 219 D CA 1.756 55.762 54.000 0.010 0.000 0.840 219 D CB -0.260 40.602 40.800 0.103 0.000 0.947 219 D HN 0.830 nan 8.370 nan 0.000 0.452 220 Q N -0.327 119.451 119.800 -0.035 0.000 2.062 220 Q HA -0.219 4.120 4.340 -0.001 0.000 0.209 220 Q C 2.102 177.921 176.000 -0.301 0.000 0.996 220 Q CA 1.676 57.389 55.803 -0.151 0.000 0.859 220 Q CB -0.185 28.469 28.738 -0.139 0.000 0.920 220 Q HN 0.256 nan 8.270 nan 0.000 0.415 221 F N -0.172 119.685 119.950 -0.155 0.000 2.335 221 F HA 0.011 4.537 4.527 -0.001 0.000 0.296 221 F C 1.981 177.636 175.800 -0.242 0.000 1.091 221 F CA 0.417 58.285 58.000 -0.219 0.000 1.399 221 F CB 0.054 38.862 39.000 -0.320 0.000 1.067 221 F HN 0.063 nan 8.300 nan 0.000 0.520 222 L N -0.380 120.730 121.223 -0.189 0.000 2.083 222 L HA -0.250 4.090 4.340 -0.001 0.000 0.209 222 L C 2.319 178.802 176.870 -0.644 0.000 1.083 222 L CA 1.339 55.910 54.840 -0.450 0.000 0.752 222 L CB -0.686 40.982 42.059 -0.651 0.000 0.899 222 L HN 0.205 nan 8.230 nan 0.000 0.433 223 Q N -0.026 119.399 119.800 -0.624 0.000 2.124 223 Q HA -0.220 4.120 4.340 -0.001 0.000 0.202 223 Q C 2.184 178.084 176.000 -0.167 0.000 0.977 223 Q CA 1.441 57.019 55.803 -0.375 0.000 0.850 223 Q CB -0.036 28.591 28.738 -0.185 0.000 0.901 223 Q HN 0.502 nan 8.270 nan 0.000 0.429 224 K N 0.455 120.792 120.400 -0.104 0.000 2.025 224 K HA -0.077 4.243 4.320 -0.001 0.000 0.207 224 K C 2.031 178.667 176.600 0.059 0.000 1.049 224 K CA 1.071 57.388 56.287 0.049 0.000 0.933 224 K CB -0.099 32.548 32.500 0.244 0.000 0.714 224 K HN 0.150 nan 8.250 nan 0.000 0.438 225 I N 1.427 122.050 120.570 0.089 0.000 2.286 225 I HA -0.269 3.901 4.170 -0.001 0.000 0.248 225 I C 2.507 178.559 176.117 -0.107 0.000 1.115 225 I CA 0.996 62.310 61.300 0.023 0.000 1.392 225 I CB -0.371 37.664 38.000 0.058 0.000 1.065 225 I HN 0.159 nan 8.210 nan 0.000 0.418 226 A N 0.723 123.478 122.820 -0.108 0.000 1.933 226 A HA -0.145 4.175 4.320 -0.001 0.000 0.218 226 A C 2.544 180.071 177.584 -0.096 0.000 1.175 226 A CA 1.756 53.750 52.037 -0.073 0.000 0.628 226 A CB -0.730 18.262 19.000 -0.013 0.000 0.814 226 A HN 0.428 nan 8.150 nan 0.000 0.444 227 A N -0.249 122.502 122.820 -0.116 0.000 1.930 227 A HA 0.002 4.321 4.320 -0.001 0.000 0.217 227 A C 2.144 179.561 177.584 -0.279 0.000 1.175 227 A CA 1.390 53.349 52.037 -0.130 0.000 0.627 227 A CB -0.516 18.429 19.000 -0.091 0.000 0.815 227 A HN 0.478 nan 8.150 nan 0.000 0.443 228 L N -0.887 120.064 121.223 -0.452 0.000 2.027 228 L HA -0.171 4.168 4.340 -0.001 0.000 0.206 228 L C 3.129 179.444 176.870 -0.924 0.000 1.074 228 L CA 1.061 55.367 54.840 -0.890 0.000 0.745 228 L CB -0.671 40.773 42.059 -1.025 0.000 0.898 228 L HN 0.428 nan 8.230 nan 0.000 0.433 229 A N 0.108 122.660 122.820 -0.447 0.000 1.908 229 A HA -0.254 4.066 4.320 -0.001 0.000 0.218 229 A C 1.898 179.447 177.584 -0.058 0.000 1.181 229 A CA 2.108 54.050 52.037 -0.159 0.000 0.627 229 A CB -0.594 18.396 19.000 -0.017 0.000 0.818 229 A HN 0.370 nan 8.150 nan 0.000 0.445 230 D N 0.122 120.480 120.400 -0.071 0.000 2.123 230 D HA -0.105 4.535 4.640 -0.001 0.000 0.196 230 D C 2.194 178.529 176.300 0.057 0.000 0.992 230 D CA 1.683 55.688 54.000 0.008 0.000 0.833 230 D CB -0.483 40.320 40.800 0.004 0.000 0.954 230 D HN 0.450 nan 8.370 nan 0.000 0.455 231 A N 0.207 123.024 122.820 -0.005 0.000 1.930 231 A HA -0.131 4.188 4.320 -0.001 0.000 0.217 231 A C 1.854 179.691 177.584 0.422 0.000 1.175 231 A CA 0.875 53.007 52.037 0.159 0.000 0.627 231 A CB -0.643 18.421 19.000 0.108 0.000 0.815 231 A HN 0.113 nan 8.150 nan 0.000 0.443 232 F N -0.297 119.797 119.950 0.241 0.000 2.293 232 F HA 0.078 4.604 4.527 -0.001 0.000 0.297 232 F C 2.221 178.199 175.800 0.296 0.000 1.089 232 F CA 0.536 58.717 58.000 0.302 0.000 1.377 232 F CB -0.980 38.166 39.000 0.244 0.000 1.051 232 F HN 0.263 nan 8.300 nan 0.000 0.511 233 R N 0.984 121.707 120.500 0.371 0.000 2.096 233 R HA -0.163 4.177 4.340 -0.001 0.000 0.240 233 R C -0.752 175.651 176.300 0.172 0.000 1.139 233 R CA 1.953 58.197 56.100 0.239 0.000 0.952 233 R CB -1.469 28.925 30.300 0.157 0.000 0.854 233 R HN 0.114 nan 8.270 nan 0.000 0.436 234 P HA -0.109 nan 4.420 nan 0.000 0.225 234 P C 0.035 177.201 177.300 -0.224 0.000 1.148 234 P CA 1.203 64.252 63.100 -0.085 0.000 0.779 234 P CB -0.039 31.553 31.700 -0.180 0.000 0.780 235 Y N -0.913 119.496 120.300 0.182 0.000 2.461 235 Y HA 0.355 4.904 4.550 -0.000 0.000 0.277 235 Y C 1.930 177.943 175.900 0.188 0.000 1.182 235 Y CA 0.499 58.716 58.100 0.194 0.000 1.276 235 Y CB -0.599 37.996 38.460 0.226 0.000 1.087 235 Y HN 0.027 nan 8.280 nan 0.000 0.519 236 G N 0.789 109.733 108.800 0.241 0.000 2.162 236 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.260 236 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.260 236 G C 0.100 175.181 174.900 0.302 0.000 0.976 236 G CA 0.138 45.376 45.100 0.230 0.000 0.655 236 G HN 0.345 nan 8.290 nan 0.000 0.533 237 I N 1.156 121.922 120.570 0.327 0.000 2.304 237 I HA 0.284 4.453 4.170 -0.001 0.000 0.291 237 I C 0.761 177.078 176.117 0.332 0.000 1.018 237 I CA -0.483 61.008 61.300 0.320 0.000 1.260 237 I CB 1.055 39.201 38.000 0.244 0.000 1.390 237 I HN -0.051 nan 8.210 nan 0.000 0.475 238 K N 5.447 126.036 120.400 0.315 0.000 2.154 238 K HA 0.410 4.730 4.320 -0.001 0.000 0.264 238 K C -0.351 176.366 176.600 0.194 0.000 1.008 238 K CA -0.819 55.583 56.287 0.192 0.000 0.937 238 K CB 1.256 33.795 32.500 0.064 0.000 1.002 238 K HN 0.376 nan 8.250 nan 0.000 0.469 239 M N 2.781 122.384 119.600 0.004 0.000 2.233 239 M HA 0.261 4.741 4.480 -0.001 0.000 0.355 239 M C -1.687 174.321 176.300 -0.487 0.000 1.191 239 M CA 0.179 55.492 55.300 0.021 0.000 1.101 239 M CB 0.390 33.065 32.600 0.125 0.000 1.592 239 M HN 0.401 nan 8.290 nan 0.000 0.461 240 Y N 4.219 124.443 120.300 -0.127 0.000 2.576 240 Y HA 0.766 5.316 4.550 -0.001 0.000 0.346 240 Y C -1.149 174.826 175.900 0.126 0.000 1.018 240 Y CA -0.948 57.013 58.100 -0.231 0.000 1.050 240 Y CB 1.706 40.142 38.460 -0.041 0.000 1.280 240 Y HN 0.581 nan 8.280 nan 0.000 0.474 241 L N 1.261 122.760 121.223 0.460 0.000 2.431 241 L HA 0.510 4.850 4.340 -0.001 0.000 0.266 241 L C -0.585 176.501 176.870 0.361 0.000 0.978 241 L CA -0.843 54.260 54.840 0.439 0.000 0.822 241 L CB 2.378 44.730 42.059 0.488 0.000 1.310 241 L HN 0.576 nan 8.230 nan 0.000 0.409 242 S N 2.785 118.633 115.700 0.247 0.000 2.564 242 S HA 0.529 4.999 4.470 -0.001 0.000 0.278 242 S C -0.274 174.367 174.600 0.068 0.000 1.333 242 S CA -0.371 57.923 58.200 0.156 0.000 1.048 242 S CB 0.750 64.029 63.200 0.131 0.000 0.900 242 S HN 0.421 nan 8.310 nan 0.000 0.505 243 I N 0.211 120.777 120.570 -0.008 0.000 2.740 243 I HA 0.625 4.794 4.170 -0.001 0.000 0.303 243 I C -0.548 175.596 176.117 0.044 0.000 1.044 243 I CA -0.966 60.312 61.300 -0.036 0.000 1.064 243 I CB 1.808 39.648 38.000 -0.266 0.000 1.249 243 I HN 0.495 nan 8.210 nan 0.000 0.433 244 N N 2.796 121.570 118.700 0.124 0.000 2.425 244 N HA 0.297 5.037 4.740 -0.001 0.000 0.268 244 N C 0.155 175.831 175.510 0.276 0.000 0.991 244 N CA -0.570 52.571 53.050 0.151 0.000 0.931 244 N CB 0.675 39.225 38.487 0.104 0.000 1.130 244 N HN 0.721 nan 8.380 nan 0.000 0.493 245 F N 3.466 123.488 119.950 0.120 0.000 2.269 245 F HA -0.001 4.525 4.527 -0.001 0.000 0.301 245 F C 1.267 177.220 175.800 0.254 0.000 1.082 245 F CA 1.092 59.206 58.000 0.190 0.000 1.360 245 F CB 0.168 39.237 39.000 0.114 0.000 1.041 245 F HN 0.577 nan 8.300 nan 0.000 0.512 246 N N -0.168 118.676 118.700 0.241 0.000 2.421 246 N HA -0.019 4.721 4.740 -0.001 0.000 0.201 246 N C 1.633 177.086 175.510 -0.095 0.000 1.198 246 N CA 0.479 53.580 53.050 0.084 0.000 0.838 246 N CB -0.213 38.359 38.487 0.141 0.000 1.011 246 N HN 0.135 nan 8.380 nan 0.000 0.463 247 S N 1.100 116.723 115.700 -0.128 0.000 2.374 247 S HA -0.092 4.378 4.470 -0.001 0.000 0.227 247 S C -0.694 173.366 174.600 -0.900 0.000 1.037 247 S CA 1.095 59.096 58.200 -0.331 0.000 1.024 247 S CB -0.800 62.253 63.200 -0.244 0.000 0.861 247 S HN 0.385 nan 8.310 nan 0.000 0.456 248 P HA -0.083 nan 4.420 nan 0.000 0.216 248 P C 1.270 178.125 177.300 -0.742 0.000 1.150 248 P CA 1.189 63.217 63.100 -1.786 0.000 0.837 248 P CB -0.006 30.921 31.700 -1.288 0.000 0.786 249 R N -0.535 119.709 120.500 -0.426 0.000 2.073 249 R HA 0.065 4.405 4.340 -0.001 0.000 0.229 249 R C 2.358 178.579 176.300 -0.132 0.000 1.120 249 R CA 1.332 57.313 56.100 -0.198 0.000 0.967 249 R CB -1.070 29.170 30.300 -0.099 0.000 0.862 249 R HN 0.115 nan 8.270 nan 0.000 0.436 250 A N 0.583 123.328 122.820 -0.126 0.000 1.972 250 A HA -0.133 4.187 4.320 -0.001 0.000 0.219 250 A C 1.681 179.170 177.584 -0.159 0.000 1.169 250 A CA 1.190 53.157 52.037 -0.116 0.000 0.635 250 A CB -0.486 18.449 19.000 -0.109 0.000 0.810 250 A HN 0.222 nan 8.150 nan 0.000 0.446 251 F N -0.577 119.279 119.950 -0.156 0.000 2.780 251 F HA 0.279 4.806 4.527 -0.000 0.000 0.299 251 F C 1.879 177.658 175.800 -0.036 0.000 1.146 251 F CA 0.746 58.720 58.000 -0.043 0.000 1.428 251 F CB -0.054 39.006 39.000 0.101 0.000 1.115 251 F HN 0.375 nan 8.300 nan 0.000 0.583 252 G N 0.311 109.137 108.800 0.043 0.000 2.160 252 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.244 252 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.244 252 G C 0.692 175.614 174.900 0.037 0.000 1.022 252 G CA 0.576 45.686 45.100 0.017 0.000 0.741 252 G HN 0.334 nan 8.290 nan 0.000 0.508 253 D N -1.102 119.313 120.400 0.024 0.000 2.379 253 D HA 0.251 4.890 4.640 -0.001 0.000 0.218 253 D C 1.160 177.451 176.300 -0.014 0.000 1.006 253 D CA 1.077 55.111 54.000 0.056 0.000 0.893 253 D CB 0.811 41.743 40.800 0.221 0.000 1.019 253 D HN 0.420 nan 8.370 nan 0.000 0.503 254 V N 1.534 121.376 119.914 -0.119 0.000 3.007 254 V HA 0.154 4.274 4.120 -0.001 0.000 0.311 254 V C -0.207 175.826 176.094 -0.103 0.000 1.120 254 V CA -0.878 61.357 62.300 -0.108 0.000 0.980 254 V CB 2.341 34.067 31.823 -0.162 0.000 1.033 254 V HN -0.086 nan 8.190 nan 0.000 0.429 255 D N -0.187 120.179 120.400 -0.058 0.000 2.319 255 D HA 0.179 4.819 4.640 -0.001 0.000 0.230 255 D C 0.426 176.717 176.300 -0.015 0.000 1.094 255 D CA 0.260 54.243 54.000 -0.029 0.000 0.856 255 D CB 0.625 41.422 40.800 -0.005 0.000 0.915 255 D HN 0.570 nan 8.370 nan 0.000 0.517 256 T N -2.289 112.224 114.554 -0.068 0.000 2.792 256 T HA 0.622 4.971 4.350 -0.001 0.000 0.303 256 T C -1.035 173.500 174.700 -0.274 0.000 1.310 256 T CA -0.228 61.818 62.100 -0.090 0.000 1.007 256 T CB 1.328 70.159 68.868 -0.062 0.000 1.335 256 T HN -0.094 nan 8.240 nan 0.000 0.504 257 A N 1.286 123.742 122.820 -0.606 0.000 2.545 257 A HA 0.404 4.724 4.320 -0.001 0.000 0.263 257 A C 0.265 177.420 177.584 -0.716 0.000 1.202 257 A CA 0.003 51.659 52.037 -0.634 0.000 0.959 257 A CB -0.174 18.567 19.000 -0.432 0.000 1.124 257 A HN 0.765 nan 8.150 nan 0.000 0.543 258 D N 1.744 121.669 120.400 -0.791 0.000 2.520 258 D HA 0.018 4.658 4.640 -0.001 0.000 0.243 258 D C -1.071 175.193 176.300 -0.060 0.000 1.160 258 D CA -1.260 52.548 54.000 -0.319 0.000 0.877 258 D CB 1.047 41.782 40.800 -0.108 0.000 1.150 258 D HN 0.170 nan 8.370 nan 0.000 0.494 259 P HA -0.112 nan 4.420 nan 0.000 0.225 259 P C 1.294 178.646 177.300 0.086 0.000 1.148 259 P CA 0.763 63.946 63.100 0.138 0.000 0.779 259 P CB 0.247 32.113 31.700 0.277 0.000 0.780 260 L N -0.922 120.342 121.223 0.068 0.000 2.592 260 L HA 0.164 4.503 4.340 -0.001 0.000 0.227 260 L C 1.169 178.063 176.870 0.039 0.000 1.127 260 L CA 0.119 54.988 54.840 0.049 0.000 0.884 260 L CB -0.499 41.585 42.059 0.042 0.000 1.065 260 L HN -0.027 nan 8.230 nan 0.000 0.457 261 D N 1.939 122.357 120.400 0.031 0.000 2.317 261 D HA 0.071 4.711 4.640 -0.001 0.000 0.252 261 D C -1.487 174.836 176.300 0.038 0.000 1.174 261 D CA -1.713 52.300 54.000 0.023 0.000 0.866 261 D CB 1.972 42.770 40.800 -0.004 0.000 1.127 261 D HN -0.074 nan 8.370 nan 0.000 0.467 262 P HA -0.164 nan 4.420 nan 0.000 0.217 262 P C 1.125 178.462 177.300 0.061 0.000 1.148 262 P CA 0.992 64.121 63.100 0.049 0.000 0.828 262 P CB 0.387 32.108 31.700 0.036 0.000 0.783 263 R N -0.373 120.157 120.500 0.049 0.000 2.096 263 R HA -0.052 4.288 4.340 -0.001 0.000 0.235 263 R C 2.404 178.762 176.300 0.095 0.000 1.127 263 R CA 1.098 57.233 56.100 0.059 0.000 0.968 263 R CB -1.057 29.263 30.300 0.033 0.000 0.861 263 R HN 0.105 nan 8.270 nan 0.000 0.440 264 V N 1.183 121.142 119.914 0.075 0.000 2.358 264 V HA -0.237 3.882 4.120 -0.001 0.000 0.246 264 V C 2.200 178.467 176.094 0.288 0.000 1.047 264 V CA 1.684 64.055 62.300 0.120 0.000 1.035 264 V CB -0.466 31.375 31.823 0.030 0.000 0.658 264 V HN 0.341 nan 8.190 nan 0.000 0.452 265 Q N -0.468 119.459 119.800 0.212 0.000 2.096 265 Q HA -0.310 4.029 4.340 -0.001 0.000 0.204 265 Q C 2.345 178.487 176.000 0.236 0.000 0.982 265 Q CA 2.033 57.973 55.803 0.228 0.000 0.850 265 Q CB -0.225 28.595 28.738 0.136 0.000 0.901 265 Q HN 0.541 nan 8.270 nan 0.000 0.422 266 Q N -0.111 119.792 119.800 0.172 0.000 2.123 266 Q HA -0.167 4.173 4.340 -0.001 0.000 0.199 266 Q C 1.429 177.494 176.000 0.109 0.000 0.966 266 Q CA 1.396 57.272 55.803 0.121 0.000 0.845 266 Q CB -0.431 28.354 28.738 0.078 0.000 0.907 266 Q HN 0.505 nan 8.270 nan 0.000 0.439 267 W N -0.626 120.643 121.300 -0.052 0.000 2.335 267 W HA -0.197 4.463 4.660 -0.001 0.000 0.311 267 W C 1.273 177.652 176.519 -0.234 0.000 1.213 267 W CA 1.869 59.090 57.345 -0.207 0.000 1.274 267 W CB -0.516 28.735 29.460 -0.349 0.000 1.148 267 W HN 0.236 nan 8.180 nan 0.000 0.498 268 W N 0.635 122.086 121.300 0.251 0.000 2.402 268 W HA -0.096 4.563 4.660 -0.001 0.000 0.286 268 W C 2.596 179.143 176.519 0.047 0.000 1.221 268 W CA 1.752 59.200 57.345 0.172 0.000 1.257 268 W CB -0.648 28.968 29.460 0.261 0.000 1.120 268 W HN -0.156 nan 8.180 nan 0.000 0.551 269 K N -0.171 120.382 120.400 0.255 0.000 2.057 269 K HA -0.127 4.192 4.320 -0.001 0.000 0.206 269 K C 1.743 178.377 176.600 0.057 0.000 1.050 269 K CA 1.952 58.345 56.287 0.177 0.000 0.935 269 K CB -0.508 32.081 32.500 0.148 0.000 0.715 269 K HN -0.070 nan 8.250 nan 0.000 0.439 270 T N 0.682 115.187 114.554 -0.083 0.000 2.821 270 T HA -0.096 4.253 4.350 -0.001 0.000 0.267 270 T C 1.825 176.338 174.700 -0.312 0.000 1.046 270 T CA 1.366 63.351 62.100 -0.191 0.000 1.139 270 T CB -0.188 68.518 68.868 -0.270 0.000 0.871 270 T HN 0.223 nan 8.240 nan 0.000 0.454 271 R N 1.626 121.829 120.500 -0.496 0.000 2.092 271 R HA 0.158 4.498 4.340 -0.001 0.000 0.231 271 R C 2.390 178.547 176.300 -0.238 0.000 1.119 271 R CA 1.491 57.251 56.100 -0.568 0.000 0.970 271 R CB -0.971 28.753 30.300 -0.961 0.000 0.864 271 R HN 0.339 nan 8.270 nan 0.000 0.440 272 A N 0.309 123.099 122.820 -0.050 0.000 1.908 272 A HA -0.242 4.077 4.320 -0.001 0.000 0.218 272 A C 2.079 179.504 177.584 -0.265 0.000 1.181 272 A CA 1.715 53.734 52.037 -0.031 0.000 0.627 272 A CB -0.564 18.519 19.000 0.138 0.000 0.818 272 A HN 0.520 nan 8.150 nan 0.000 0.445 273 Q N -0.644 119.044 119.800 -0.187 0.000 2.061 273 Q HA -0.227 4.113 4.340 -0.001 0.000 0.204 273 Q C 2.247 178.128 176.000 -0.199 0.000 0.984 273 Q CA 1.941 57.641 55.803 -0.172 0.000 0.846 273 Q CB -0.229 28.525 28.738 0.027 0.000 0.902 273 Q HN 0.731 nan 8.270 nan 0.000 0.421 274 K N 0.897 121.181 120.400 -0.193 0.000 2.032 274 K HA -0.189 4.130 4.320 -0.001 0.000 0.209 274 K C 1.982 178.502 176.600 -0.133 0.000 1.048 274 K CA 1.370 57.556 56.287 -0.169 0.000 0.927 274 K CB -0.156 32.242 32.500 -0.170 0.000 0.712 274 K HN 0.151 nan 8.250 nan 0.000 0.441 275 I N 0.155 120.586 120.570 -0.231 0.000 2.163 275 I HA -0.302 3.868 4.170 -0.001 0.000 0.243 275 I C 1.892 177.743 176.117 -0.442 0.000 1.085 275 I CA 1.474 62.539 61.300 -0.391 0.000 1.347 275 I CB -0.303 37.241 38.000 -0.761 0.000 1.044 275 I HN 0.209 nan 8.210 nan 0.000 0.408 276 Y N 0.561 120.601 120.300 -0.434 0.000 2.439 276 Y HA -0.182 4.368 4.550 -0.000 0.000 0.292 276 Y C 2.879 178.664 175.900 -0.192 0.000 1.130 276 Y CA 1.243 59.128 58.100 -0.357 0.000 1.254 276 Y CB -0.389 37.661 38.460 -0.685 0.000 1.000 276 Y HN 0.255 nan 8.280 nan 0.000 0.554 277 S N -1.240 114.391 115.700 -0.114 0.000 2.402 277 S HA -0.200 4.270 4.470 -0.001 0.000 0.229 277 S C 1.573 176.045 174.600 -0.213 0.000 1.021 277 S CA 1.088 59.186 58.200 -0.170 0.000 0.974 277 S CB -0.696 62.334 63.200 -0.283 0.000 0.800 277 S HN 0.444 nan 8.310 nan 0.000 0.484 278 Y N 1.254 121.485 120.300 -0.114 0.000 2.347 278 Y HA 0.474 5.024 4.550 -0.000 0.000 0.294 278 Y C 0.905 176.753 175.900 -0.087 0.000 1.117 278 Y CA -0.018 58.022 58.100 -0.100 0.000 1.184 278 Y CB 0.236 38.618 38.460 -0.129 0.000 1.047 278 Y HN 0.222 nan 8.280 nan 0.000 0.546 279 I N 1.252 121.839 120.570 0.029 0.000 2.563 279 I HA 0.224 4.393 4.170 -0.001 0.000 0.276 279 I C -2.206 173.912 176.117 0.003 0.000 1.074 279 I CA -1.713 59.589 61.300 0.003 0.000 1.124 279 I CB 1.882 39.877 38.000 -0.008 0.000 1.225 279 I HN -0.140 nan 8.210 nan 0.000 0.482 280 P HA -0.090 nan 4.420 nan 0.000 0.230 280 P C 0.362 177.867 177.300 0.342 0.000 1.158 280 P CA 1.044 64.293 63.100 0.248 0.000 0.769 280 P CB 0.001 31.800 31.700 0.166 0.000 0.807 281 D N -1.792 118.745 120.400 0.228 0.000 2.593 281 D HA 0.020 4.659 4.640 -0.001 0.000 0.241 281 D C -0.103 176.288 176.300 0.152 0.000 1.257 281 D CA -1.137 52.998 54.000 0.225 0.000 0.828 281 D CB -1.184 39.706 40.800 0.151 0.000 1.049 281 D HN -0.005 nan 8.370 nan 0.000 0.490 282 F N 1.718 121.586 119.950 -0.136 0.000 2.623 282 F HA 0.341 4.868 4.527 -0.001 0.000 0.383 282 F C 1.637 177.262 175.800 -0.291 0.000 1.077 282 F CA 0.610 58.374 58.000 -0.393 0.000 1.268 282 F CB 1.187 39.618 39.000 -0.949 0.000 1.053 282 F HN 0.056 nan 8.300 nan 0.000 0.571 283 G N 3.299 111.419 108.800 -1.133 0.000 2.403 283 G HA2 0.364 4.323 3.960 -0.001 0.000 0.216 283 G HA3 0.364 4.323 3.960 -0.001 0.000 0.216 283 G C 0.661 174.961 174.900 -1.000 0.000 1.154 283 G CA 0.626 44.941 45.100 -1.308 0.000 0.784 283 G HN 1.405 nan 8.290 nan 0.000 0.538 284 G N -1.464 106.564 108.800 -1.286 0.000 2.302 284 G HA2 0.292 4.252 3.960 -0.001 0.000 0.264 284 G HA3 0.292 4.252 3.960 -0.001 0.000 0.264 284 G C -1.521 173.316 174.900 -0.105 0.000 1.335 284 G CA -0.869 43.904 45.100 -0.545 0.000 0.982 284 G HN 0.210 nan 8.290 nan 0.000 0.473 285 F N -0.085 119.876 119.950 0.019 0.000 2.508 285 F HA 0.803 5.329 4.527 -0.001 0.000 0.325 285 F C 0.091 175.937 175.800 0.077 0.000 1.090 285 F CA -1.434 56.639 58.000 0.123 0.000 0.945 285 F CB 1.841 40.935 39.000 0.156 0.000 1.156 285 F HN 0.460 nan 8.300 nan 0.000 0.463 286 L N 3.559 124.999 121.223 0.362 0.000 2.295 286 L HA 0.791 5.131 4.340 -0.001 0.000 0.285 286 L C -1.039 175.910 176.870 0.132 0.000 1.035 286 L CA -0.658 54.354 54.840 0.287 0.000 0.806 286 L CB 1.416 43.649 42.059 0.291 0.000 1.214 286 L HN 0.320 nan 8.230 nan 0.000 0.426 287 V N 4.965 124.876 119.914 -0.005 0.000 2.482 287 V HA 0.423 4.543 4.120 -0.001 0.000 0.295 287 V C -0.323 175.533 176.094 -0.397 0.000 1.026 287 V CA -0.891 61.261 62.300 -0.247 0.000 0.856 287 V CB 1.361 32.883 31.823 -0.502 0.000 1.001 287 V HN 0.737 nan 8.190 nan 0.000 0.424 288 K N 3.756 124.004 120.400 -0.254 0.000 2.264 288 K HA 0.790 5.110 4.320 -0.001 0.000 0.277 288 K C -0.408 176.044 176.600 -0.248 0.000 1.067 288 K CA -0.160 55.996 56.287 -0.217 0.000 0.900 288 K CB 1.086 33.532 32.500 -0.091 0.000 1.124 288 K HN 0.905 nan 8.250 nan 0.000 0.469 289 A N 3.898 126.518 122.820 -0.334 0.000 2.414 289 A HA 0.421 4.741 4.320 -0.001 0.000 0.306 289 A C -0.839 176.728 177.584 -0.029 0.000 1.054 289 A CA -0.571 51.309 52.037 -0.262 0.000 0.724 289 A CB 0.890 19.534 19.000 -0.594 0.000 1.267 289 A HN 0.901 nan 8.150 nan 0.000 0.418 290 D N 0.021 120.429 120.400 0.013 0.000 2.723 290 D HA -0.126 4.513 4.640 -0.001 0.000 0.236 290 D C -0.139 176.169 176.300 0.012 0.000 1.138 290 D CA 1.981 56.013 54.000 0.054 0.000 0.676 290 D CB -0.951 39.977 40.800 0.213 0.000 1.069 290 D HN 0.683 nan 8.370 nan 0.000 0.430 291 S N -0.571 115.118 115.700 -0.018 0.000 2.614 291 S HA 0.344 4.814 4.470 -0.001 0.000 0.275 291 S C -0.059 174.525 174.600 -0.026 0.000 1.161 291 S CA -0.414 57.753 58.200 -0.056 0.000 0.969 291 S CB 1.137 64.335 63.200 -0.003 0.000 1.059 291 S HN 0.184 nan 8.310 nan 0.000 0.482 292 E N 2.723 122.887 120.200 -0.060 0.000 2.440 292 E HA -0.250 4.099 4.350 -0.001 0.000 0.246 292 E C 0.847 177.486 176.600 0.066 0.000 1.165 292 E CA 0.704 57.157 56.400 0.088 0.000 0.726 292 E CB -1.857 28.007 29.700 0.274 0.000 1.271 292 E HN 1.543 nan 8.360 nan 0.000 0.397 293 G N -0.536 108.256 108.800 -0.012 0.000 2.184 293 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.264 293 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.264 293 G C 0.200 175.105 174.900 0.009 0.000 0.975 293 G CA 0.542 45.638 45.100 -0.007 0.000 0.642 293 G HN 0.242 nan 8.290 nan 0.000 0.536 294 Q N 0.688 120.495 119.800 0.013 0.000 2.327 294 Q HA 0.398 4.738 4.340 -0.001 0.000 0.254 294 Q C -2.142 173.873 176.000 0.025 0.000 0.952 294 Q CA -1.587 54.228 55.803 0.019 0.000 0.884 294 Q CB 0.881 29.622 28.738 0.005 0.000 1.224 294 Q HN 0.258 nan 8.270 nan 0.000 0.422 295 P HA 0.301 nan 4.420 nan 0.000 0.270 295 P C -0.365 177.004 177.300 0.115 0.000 1.223 295 P CA -0.022 63.157 63.100 0.131 0.000 0.785 295 P CB 0.670 32.511 31.700 0.234 0.000 0.923 296 G N 0.318 109.188 108.800 0.116 0.000 2.495 296 G HA2 0.350 4.310 3.960 -0.001 0.000 0.294 296 G HA3 0.350 4.310 3.960 -0.001 0.000 0.294 296 G C -2.675 172.140 174.900 -0.141 0.000 1.397 296 G CA -0.811 44.159 45.100 -0.217 0.000 0.790 296 G HN 0.068 nan 8.290 nan 0.000 0.486 297 P HA -0.106 nan 4.420 nan 0.000 0.216 297 P C 1.604 178.998 177.300 0.156 0.000 1.150 297 P CA 1.371 64.463 63.100 -0.012 0.000 0.843 297 P CB 0.173 31.826 31.700 -0.079 0.000 0.787 298 Q N -0.911 118.941 119.800 0.087 0.000 2.226 298 Q HA -0.060 4.280 4.340 -0.001 0.000 0.204 298 Q C 2.299 178.261 176.000 -0.064 0.000 0.975 298 Q CA 1.335 57.140 55.803 0.003 0.000 0.866 298 Q CB -0.977 27.725 28.738 -0.060 0.000 0.915 298 Q HN 0.290 nan 8.270 nan 0.000 0.440 299 G N -0.511 108.225 108.800 -0.107 0.000 2.535 299 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.218 299 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.218 299 G C 0.431 174.926 174.900 -0.675 0.000 1.122 299 G CA 0.515 45.391 45.100 -0.374 0.000 0.769 299 G HN 0.358 nan 8.290 nan 0.000 0.549 300 Y N -0.820 119.515 120.300 0.058 0.000 2.682 300 Y HA 0.385 4.935 4.550 -0.001 0.000 0.251 300 Y C 1.715 177.637 175.900 0.036 0.000 1.172 300 Y CA -0.730 57.409 58.100 0.065 0.000 1.186 300 Y CB 0.514 39.049 38.460 0.125 0.000 1.216 300 Y HN 0.150 nan 8.280 nan 0.000 0.540 301 G N 1.129 109.963 108.800 0.056 0.000 2.225 301 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.267 301 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.267 301 G C 0.202 175.126 174.900 0.039 0.000 1.024 301 G CA -0.044 45.069 45.100 0.021 0.000 0.784 301 G HN 0.105 nan 8.290 nan 0.000 0.507 302 R N 0.165 120.712 120.500 0.079 0.000 2.782 302 R HA 0.616 4.956 4.340 -0.001 0.000 0.258 302 R C 0.276 176.589 176.300 0.022 0.000 1.055 302 R CA -0.334 55.801 56.100 0.058 0.000 1.065 302 R CB 0.675 31.044 30.300 0.115 0.000 1.172 302 R HN 0.484 nan 8.270 nan 0.000 0.510 303 D N -1.970 118.418 120.400 -0.020 0.000 2.440 303 D HA 0.160 4.799 4.640 -0.001 0.000 0.258 303 D C 0.749 177.059 176.300 0.016 0.000 1.092 303 D CA -0.391 53.582 54.000 -0.046 0.000 1.016 303 D CB 0.460 41.176 40.800 -0.140 0.000 1.141 303 D HN 0.462 nan 8.370 nan 0.000 0.552 304 H N -0.798 118.153 119.070 -0.199 0.000 2.423 304 H HA -0.019 4.536 4.556 -0.001 0.000 0.297 304 H C 1.828 176.869 175.328 -0.478 0.000 1.075 304 H CA 0.729 56.635 56.048 -0.237 0.000 1.342 304 H CB 0.275 30.094 29.762 0.096 0.000 1.395 304 H HN 0.548 nan 8.280 nan 0.000 0.530 305 A N 1.439 124.006 122.820 -0.422 0.000 1.877 305 A HA -0.196 4.124 4.320 -0.001 0.000 0.216 305 A C 2.128 179.485 177.584 -0.378 0.000 1.186 305 A CA 1.592 53.190 52.037 -0.732 0.000 0.620 305 A CB -0.347 18.102 19.000 -0.918 0.000 0.822 305 A HN 0.442 nan 8.150 nan 0.000 0.443 306 E N -0.721 119.330 120.200 -0.249 0.000 2.118 306 E HA -0.127 4.222 4.350 -0.001 0.000 0.195 306 E C 2.105 178.666 176.600 -0.065 0.000 0.992 306 E CA 0.855 57.183 56.400 -0.121 0.000 0.804 306 E CB -0.337 29.328 29.700 -0.058 0.000 0.741 306 E HN 0.620 nan 8.360 nan 0.000 0.458 307 G N 1.082 109.807 108.800 -0.125 0.000 2.394 307 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.214 307 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.214 307 G C 1.705 176.568 174.900 -0.062 0.000 1.176 307 G CA 0.720 45.829 45.100 0.014 0.000 0.786 307 G HN 0.336 nan 8.290 nan 0.000 0.533 308 A N 1.427 123.890 122.820 -0.595 0.000 1.902 308 A HA -0.092 4.227 4.320 -0.001 0.000 0.217 308 A C 2.250 179.814 177.584 -0.034 0.000 1.181 308 A CA 1.948 53.756 52.037 -0.382 0.000 0.623 308 A CB -0.464 18.181 19.000 -0.591 0.000 0.818 308 A HN 0.340 nan 8.150 nan 0.000 0.443 309 N N -0.528 118.136 118.700 -0.060 0.000 2.244 309 N HA -0.126 4.614 4.740 -0.001 0.000 0.183 309 N C 1.666 177.190 175.510 0.024 0.000 1.016 309 N CA 1.418 54.466 53.050 -0.004 0.000 0.866 309 N CB -0.472 37.991 38.487 -0.040 0.000 0.980 309 N HN 0.527 nan 8.380 nan 0.000 0.430 310 M N 0.772 120.391 119.600 0.031 0.000 2.099 310 M HA -0.052 4.428 4.480 -0.001 0.000 0.262 310 M C 1.692 178.018 176.300 0.043 0.000 1.067 310 M CA 1.219 56.550 55.300 0.051 0.000 1.124 310 M CB -0.492 32.149 32.600 0.068 0.000 1.353 310 M HN 0.063 nan 8.290 nan 0.000 0.410 311 L N 0.311 121.542 121.223 0.014 0.000 2.046 311 L HA -0.165 4.175 4.340 -0.001 0.000 0.208 311 L C 2.758 179.688 176.870 0.100 0.000 1.077 311 L CA 1.259 56.114 54.840 0.024 0.000 0.747 311 L CB -1.163 40.951 42.059 0.092 0.000 0.896 311 L HN 0.366 nan 8.230 nan 0.000 0.432 312 A N 0.149 123.021 122.820 0.086 0.000 1.933 312 A HA -0.158 4.162 4.320 -0.001 0.000 0.218 312 A C 2.561 180.178 177.584 0.055 0.000 1.175 312 A CA 1.666 53.738 52.037 0.059 0.000 0.628 312 A CB -0.661 18.372 19.000 0.055 0.000 0.814 312 A HN 0.400 nan 8.150 nan 0.000 0.444 313 A N -0.061 122.796 122.820 0.061 0.000 1.908 313 A HA 0.104 4.424 4.320 -0.001 0.000 0.218 313 A C 2.485 180.120 177.584 0.086 0.000 1.181 313 A CA 2.177 54.249 52.037 0.059 0.000 0.627 313 A CB -0.981 18.054 19.000 0.058 0.000 0.818 313 A HN 1.089 nan 8.150 nan 0.000 0.445 314 A N -0.618 122.283 122.820 0.136 0.000 1.933 314 A HA 0.023 4.343 4.320 -0.001 0.000 0.218 314 A C 2.105 179.822 177.584 0.222 0.000 1.175 314 A CA 1.478 53.638 52.037 0.206 0.000 0.628 314 A CB -0.438 18.744 19.000 0.304 0.000 0.814 314 A HN 0.477 nan 8.150 nan 0.000 0.444 315 L N -1.553 119.753 121.223 0.139 0.000 2.307 315 L HA -0.020 4.320 4.340 -0.001 0.000 0.211 315 L C 2.379 179.306 176.870 0.095 0.000 1.099 315 L CA 0.930 55.849 54.840 0.132 0.000 0.816 315 L CB -0.237 41.812 42.059 -0.016 0.000 0.952 315 L HN 0.261 nan 8.230 nan 0.000 0.455 316 K N 1.358 121.781 120.400 0.038 0.000 2.059 316 K HA -0.176 4.143 4.320 -0.001 0.000 0.212 316 K C -0.627 175.912 176.600 -0.101 0.000 1.050 316 K CA 1.843 58.122 56.287 -0.014 0.000 0.927 316 K CB -1.216 31.278 32.500 -0.010 0.000 0.714 316 K HN 0.140 nan 8.250 nan 0.000 0.447 317 P HA -0.052 nan 4.420 nan 0.000 0.226 317 P C 0.300 177.224 177.300 -0.627 0.000 1.153 317 P CA 0.999 63.829 63.100 -0.451 0.000 0.777 317 P CB 0.075 31.383 31.700 -0.652 0.000 0.794 318 F N -1.863 117.896 119.950 -0.318 0.000 2.695 318 F HA 0.402 4.929 4.527 -0.000 0.000 0.303 318 F C 1.745 177.341 175.800 -0.340 0.000 1.091 318 F CA 0.417 58.087 58.000 -0.550 0.000 1.300 318 F CB -0.510 37.635 39.000 -1.425 0.000 1.071 318 F HN -0.047 nan 8.300 nan 0.000 0.578 319 G N 0.429 109.208 108.800 -0.034 0.000 2.143 319 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.249 319 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.249 319 G C 0.670 175.627 174.900 0.095 0.000 0.981 319 G CA -0.167 44.962 45.100 0.048 0.000 0.665 319 G HN 0.738 nan 8.290 nan 0.000 0.528 320 G N -1.464 107.390 108.800 0.091 0.000 2.528 320 G HA2 0.701 4.660 3.960 -0.001 0.000 0.289 320 G HA3 0.701 4.660 3.960 -0.001 0.000 0.289 320 G C -0.286 174.595 174.900 -0.032 0.000 1.192 320 G CA 0.134 45.285 45.100 0.085 0.000 0.921 320 G HN 0.947 nan 8.290 nan 0.000 0.512 321 V N -0.727 119.097 119.914 -0.150 0.000 3.074 321 V HA 0.545 4.665 4.120 -0.001 0.000 0.314 321 V C -0.506 175.420 176.094 -0.280 0.000 1.117 321 V CA -0.649 61.512 62.300 -0.232 0.000 1.014 321 V CB 2.414 34.033 31.823 -0.340 0.000 1.057 321 V HN 0.508 nan 8.190 nan 0.000 0.438 322 V N 2.596 122.410 119.914 -0.166 0.000 2.409 322 V HA 0.456 4.576 4.120 -0.001 0.000 0.291 322 V C -1.017 175.116 176.094 0.066 0.000 1.020 322 V CA -0.446 61.848 62.300 -0.010 0.000 0.848 322 V CB 1.314 33.239 31.823 0.171 0.000 0.990 322 V HN 0.601 nan 8.190 nan 0.000 0.430 323 F N 4.391 124.400 119.950 0.098 0.000 2.368 323 F HA 0.301 4.828 4.527 -0.001 0.000 0.362 323 F C 0.111 175.969 175.800 0.097 0.000 1.137 323 F CA -1.236 56.781 58.000 0.029 0.000 1.161 323 F CB 0.512 39.488 39.000 -0.039 0.000 1.265 323 F HN 0.533 nan 8.300 nan 0.000 0.530 324 W N 6.220 127.571 121.300 0.084 0.000 2.314 324 W HA 0.412 5.072 4.660 0.000 0.000 0.310 324 W C -0.323 176.167 176.519 -0.048 0.000 1.075 324 W CA -0.929 56.425 57.345 0.015 0.000 1.253 324 W CB 0.891 30.329 29.460 -0.036 0.000 1.238 324 W HN 0.447 nan 8.180 nan 0.000 0.440 325 R N 3.374 123.742 120.500 -0.221 0.000 2.438 325 R HA 0.276 4.615 4.340 -0.001 0.000 0.287 325 R C 0.879 177.155 176.300 -0.040 0.000 1.077 325 R CA 0.137 56.179 56.100 -0.096 0.000 1.034 325 R CB 1.235 31.507 30.300 -0.047 0.000 0.993 325 R HN 0.568 nan 8.270 nan 0.000 0.459 326 A N 3.637 126.387 122.820 -0.117 0.000 2.275 326 A HA 0.013 4.333 4.320 -0.001 0.000 0.212 326 A C 0.330 178.027 177.584 0.188 0.000 1.201 326 A CA -0.215 51.686 52.037 -0.226 0.000 0.843 326 A CB 0.028 18.658 19.000 -0.616 0.000 0.873 326 A HN 0.663 nan 8.150 nan 0.000 0.492 327 F N 1.783 121.749 119.950 0.026 0.000 2.659 327 F HA 0.348 4.875 4.527 -0.001 0.000 0.356 327 F C -0.350 175.601 175.800 0.252 0.000 1.273 327 F CA -0.412 57.631 58.000 0.072 0.000 1.243 327 F CB -0.504 38.499 39.000 0.005 0.000 1.683 327 F HN -0.067 nan 8.300 nan 0.000 0.679 328 V N 5.156 125.177 119.914 0.178 0.000 2.789 328 V HA 0.502 4.622 4.120 -0.001 0.000 0.311 328 V C -1.187 175.101 176.094 0.323 0.000 1.073 328 V CA -0.914 61.511 62.300 0.208 0.000 0.921 328 V CB 1.931 33.938 31.823 0.308 0.000 1.009 328 V HN 0.332 nan 8.190 nan 0.000 0.426 329 Y N 1.686 121.943 120.300 -0.072 0.000 2.424 329 Y HA 0.712 5.261 4.550 -0.001 0.000 0.323 329 Y C -0.876 175.054 175.900 0.050 0.000 1.174 329 Y CA -1.639 56.464 58.100 0.005 0.000 1.060 329 Y CB 0.293 38.727 38.460 -0.043 0.000 1.314 329 Y HN 0.869 nan 8.280 nan 0.000 0.439 330 H N 2.240 121.236 119.070 -0.122 0.000 2.499 330 H HA 0.593 5.148 4.556 -0.001 0.000 0.340 330 H C -2.359 172.889 175.328 -0.133 0.000 1.148 330 H CA -2.743 53.180 56.048 -0.207 0.000 1.215 330 H CB 2.182 31.859 29.762 -0.141 0.000 1.529 330 H HN 0.359 nan 8.280 nan 0.000 0.510 331 P HA -0.121 nan 4.420 nan 0.000 0.225 331 P C -0.096 177.143 177.300 -0.102 0.000 1.148 331 P CA 0.912 63.918 63.100 -0.158 0.000 0.779 331 P CB 0.254 31.831 31.700 -0.205 0.000 0.780 332 D N -0.365 119.970 120.400 -0.108 0.000 2.424 332 D HA 0.136 4.776 4.640 -0.001 0.000 0.220 332 D C 1.011 177.246 176.300 -0.109 0.000 1.150 332 D CA -0.187 53.772 54.000 -0.070 0.000 0.831 332 D CB -0.242 40.546 40.800 -0.020 0.000 0.981 332 D HN 0.325 nan 8.370 nan 0.000 0.500 333 I N -1.635 118.810 120.570 -0.208 0.000 2.823 333 I HA 0.178 4.348 4.170 -0.001 0.000 0.290 333 I C 1.674 177.794 176.117 0.005 0.000 1.091 333 I CA -0.601 60.611 61.300 -0.147 0.000 1.365 333 I CB 1.294 39.178 38.000 -0.194 0.000 1.427 333 I HN -0.243 nan 8.210 nan 0.000 0.583 334 E N 1.276 121.496 120.200 0.033 0.000 2.077 334 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 334 E C -0.134 176.561 176.600 0.158 0.000 0.989 334 E CA 1.295 57.740 56.400 0.075 0.000 0.800 334 E CB 0.320 30.054 29.700 0.056 0.000 0.746 334 E HN 0.803 nan 8.360 nan 0.000 0.452 335 D N -1.116 119.392 120.400 0.180 0.000 2.602 335 D HA 0.095 4.735 4.640 -0.001 0.000 0.245 335 D C 0.259 176.707 176.300 0.246 0.000 1.325 335 D CA -0.394 53.752 54.000 0.242 0.000 0.952 335 D CB 0.905 41.831 40.800 0.211 0.000 1.317 335 D HN -0.047 nan 8.370 nan 0.000 0.577 336 R N 2.936 123.632 120.500 0.326 0.000 2.139 336 R HA -0.180 4.160 4.340 -0.001 0.000 0.243 336 R C 1.499 177.932 176.300 0.221 0.000 1.145 336 R CA 1.162 57.416 56.100 0.256 0.000 0.976 336 R CB -0.299 30.144 30.300 0.239 0.000 0.866 336 R HN 0.489 nan 8.270 nan 0.000 0.449 337 F N 1.370 121.382 119.950 0.104 0.000 2.147 337 F HA -0.240 4.287 4.527 -0.001 0.000 0.301 337 F C 2.023 177.853 175.800 0.051 0.000 1.084 337 F CA 1.857 59.900 58.000 0.071 0.000 1.268 337 F CB 0.021 39.044 39.000 0.040 0.000 1.009 337 F HN -0.009 nan 8.300 nan 0.000 0.486 338 R N -0.486 120.200 120.500 0.311 0.000 2.240 338 R HA 0.058 4.398 4.340 -0.001 0.000 0.203 338 R C 2.499 178.899 176.300 0.167 0.000 1.011 338 R CA 0.481 56.711 56.100 0.217 0.000 1.007 338 R CB -0.801 29.609 30.300 0.184 0.000 0.911 338 R HN 0.440 nan 8.270 nan 0.000 0.468 339 G N 1.686 110.574 108.800 0.147 0.000 2.672 339 G HA2 -0.382 3.577 3.960 -0.001 0.000 0.218 339 G HA3 -0.382 3.577 3.960 -0.001 0.000 0.218 339 G C 1.536 176.544 174.900 0.180 0.000 1.238 339 G CA 1.241 46.434 45.100 0.155 0.000 0.791 339 G HN 0.402 nan 8.290 nan 0.000 0.606 340 A N -0.392 122.536 122.820 0.180 0.000 1.883 340 A HA -0.064 4.256 4.320 -0.001 0.000 0.217 340 A C 2.281 180.047 177.584 0.303 0.000 1.186 340 A CA 1.934 54.134 52.037 0.272 0.000 0.624 340 A CB -0.766 18.342 19.000 0.180 0.000 0.822 340 A HN 0.557 nan 8.150 nan 0.000 0.444 341 Y N 1.039 121.380 120.300 0.069 0.000 2.145 341 Y HA -0.230 4.319 4.550 -0.001 0.000 0.286 341 Y C 1.828 177.763 175.900 0.058 0.000 1.145 341 Y CA 2.170 60.293 58.100 0.038 0.000 1.148 341 Y CB -0.117 38.314 38.460 -0.048 0.000 0.981 341 Y HN 0.350 nan 8.280 nan 0.000 0.507 342 D N -0.140 120.400 120.400 0.233 0.000 2.219 342 D HA -0.142 4.498 4.640 -0.001 0.000 0.205 342 D C 1.998 178.293 176.300 -0.008 0.000 0.970 342 D CA 1.088 55.154 54.000 0.111 0.000 0.851 342 D CB -0.115 40.766 40.800 0.135 0.000 0.943 342 D HN 0.462 nan 8.370 nan 0.000 0.488 343 E N -0.393 119.794 120.200 -0.022 0.000 2.072 343 E HA -0.080 4.270 4.350 -0.001 0.000 0.191 343 E C 1.821 178.163 176.600 -0.430 0.000 0.985 343 E CA 0.717 56.956 56.400 -0.269 0.000 0.801 343 E CB -0.154 29.320 29.700 -0.378 0.000 0.750 343 E HN 0.371 nan 8.360 nan 0.000 0.452 344 F N -0.489 119.436 119.950 -0.041 0.000 2.622 344 F HA 0.095 4.622 4.527 -0.001 0.000 0.288 344 F C 2.266 178.012 175.800 -0.090 0.000 1.120 344 F CA 0.041 58.034 58.000 -0.012 0.000 1.423 344 F CB -0.135 38.883 39.000 0.030 0.000 1.127 344 F HN -0.103 nan 8.300 nan 0.000 0.588 345 M N 0.651 120.188 119.600 -0.106 0.000 2.082 345 M HA -0.152 4.327 4.480 -0.001 0.000 0.258 345 M C -0.592 175.629 176.300 -0.131 0.000 1.069 345 M CA 1.925 57.080 55.300 -0.241 0.000 1.102 345 M CB -2.301 29.954 32.600 -0.575 0.000 1.336 345 M HN -0.052 nan 8.290 nan 0.000 0.404 346 P HA -0.040 nan 4.420 nan 0.000 0.228 346 P C 1.253 178.497 177.300 -0.093 0.000 1.151 346 P CA 0.988 64.030 63.100 -0.098 0.000 0.770 346 P CB -0.179 31.457 31.700 -0.106 0.000 0.786 347 L N -1.779 119.409 121.223 -0.059 0.000 2.640 347 L HA 0.196 4.536 4.340 -0.001 0.000 0.230 347 L C 0.651 177.525 176.870 0.006 0.000 1.123 347 L CA -0.331 54.452 54.840 -0.095 0.000 0.900 347 L CB -0.390 41.607 42.059 -0.104 0.000 1.146 347 L HN -0.128 nan 8.230 nan 0.000 0.484 348 D N 1.033 121.462 120.400 0.048 0.000 2.450 348 D HA 0.229 4.869 4.640 -0.001 0.000 0.247 348 D C 1.315 177.629 176.300 0.023 0.000 1.162 348 D CA 1.488 55.528 54.000 0.066 0.000 0.879 348 D CB 0.940 41.724 40.800 -0.026 0.000 1.163 348 D HN 0.294 nan 8.370 nan 0.000 0.472 349 G N 4.241 113.083 108.800 0.071 0.000 2.176 349 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.253 349 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.253 349 G C 1.105 175.997 174.900 -0.013 0.000 0.979 349 G CA 0.350 45.469 45.100 0.031 0.000 0.641 349 G HN 0.546 nan 8.290 nan 0.000 0.530 350 K N -0.405 119.934 120.400 -0.101 0.000 2.404 350 K HA 0.306 4.625 4.320 -0.001 0.000 0.194 350 K C 0.298 176.697 176.600 -0.335 0.000 1.023 350 K CA 0.012 56.148 56.287 -0.252 0.000 1.094 350 K CB 0.246 32.523 32.500 -0.372 0.000 0.841 350 K HN 0.393 nan 8.250 nan 0.000 0.523 351 F N 1.332 121.256 119.950 -0.043 0.000 2.385 351 F HA 0.333 4.860 4.527 -0.001 0.000 0.336 351 F C 1.020 176.803 175.800 -0.029 0.000 1.100 351 F CA -1.114 56.854 58.000 -0.054 0.000 1.116 351 F CB 0.670 39.640 39.000 -0.049 0.000 1.166 351 F HN -0.123 nan 8.300 nan 0.000 0.511 352 A N 1.762 124.668 122.820 0.145 0.000 2.448 352 A HA 0.083 4.402 4.320 -0.001 0.000 0.239 352 A C 1.121 178.772 177.584 0.112 0.000 1.080 352 A CA -0.398 51.695 52.037 0.093 0.000 0.779 352 A CB 0.094 19.131 19.000 0.061 0.000 1.026 352 A HN 0.814 nan 8.150 nan 0.000 0.499 353 D N 0.461 120.921 120.400 0.100 0.000 2.263 353 D HA -0.131 4.508 4.640 -0.001 0.000 0.208 353 D C 1.011 177.387 176.300 0.126 0.000 0.971 353 D CA 1.612 55.694 54.000 0.136 0.000 0.867 353 D CB 0.011 40.895 40.800 0.141 0.000 0.929 353 D HN 0.718 nan 8.370 nan 0.000 0.492 354 N N 0.185 118.905 118.700 0.034 0.000 2.251 354 N HA -0.017 4.723 4.740 -0.001 0.000 0.217 354 N C -0.470 174.969 175.510 -0.118 0.000 1.124 354 N CA -0.076 52.904 53.050 -0.117 0.000 0.843 354 N CB 0.506 38.966 38.487 -0.045 0.000 1.024 354 N HN -0.137 nan 8.380 nan 0.000 0.501 355 V N 1.758 121.654 119.914 -0.030 0.000 2.435 355 V HA 0.463 4.583 4.120 -0.001 0.000 0.290 355 V C 0.081 176.155 176.094 -0.033 0.000 1.030 355 V CA -0.733 61.569 62.300 0.002 0.000 0.881 355 V CB 1.626 33.497 31.823 0.080 0.000 0.983 355 V HN 0.098 nan 8.190 nan 0.000 0.445 356 I N 5.216 125.786 120.570 0.000 0.000 2.436 356 I HA 0.374 4.544 4.170 -0.001 0.000 0.289 356 I C -0.761 175.340 176.117 -0.027 0.000 1.010 356 I CA -0.859 60.449 61.300 0.014 0.000 1.098 356 I CB 1.916 39.989 38.000 0.121 0.000 1.266 356 I HN 0.362 nan 8.210 nan 0.000 0.434 357 L N 6.146 127.269 121.223 -0.167 0.000 2.315 357 L HA 0.240 4.579 4.340 -0.001 0.000 0.283 357 L C 0.090 176.864 176.870 -0.160 0.000 1.089 357 L CA 0.315 55.008 54.840 -0.245 0.000 0.833 357 L CB 0.836 42.623 42.059 -0.454 0.000 1.170 357 L HN 0.616 nan 8.230 nan 0.000 0.442 358 Q N 5.293 125.023 119.800 -0.118 0.000 2.360 358 Q HA 0.510 4.850 4.340 -0.001 0.000 0.254 358 Q C -1.306 174.615 176.000 -0.133 0.000 0.975 358 Q CA -0.218 55.517 55.803 -0.113 0.000 0.912 358 Q CB 0.631 29.312 28.738 -0.096 0.000 1.212 358 Q HN 0.689 nan 8.270 nan 0.000 0.452 359 I N 4.090 124.578 120.570 -0.135 0.000 2.406 359 I HA 0.333 4.503 4.170 -0.001 0.000 0.290 359 I C -0.161 175.917 176.117 -0.064 0.000 0.999 359 I CA -0.904 60.271 61.300 -0.209 0.000 1.124 359 I CB 1.779 39.430 38.000 -0.582 0.000 1.289 359 I HN 0.473 nan 8.210 nan 0.000 0.441 360 K N 4.695 125.041 120.400 -0.090 0.000 2.380 360 K HA 0.021 4.341 4.320 -0.001 0.000 0.267 360 K C 1.203 177.867 176.600 0.107 0.000 0.990 360 K CA -0.165 56.095 56.287 -0.045 0.000 0.946 360 K CB 0.476 32.756 32.500 -0.367 0.000 0.937 360 K HN 0.680 nan 8.250 nan 0.000 0.491 361 N N 0.759 119.591 118.700 0.220 0.000 2.205 361 N HA -0.124 4.615 4.740 -0.001 0.000 0.186 361 N C 0.598 176.288 175.510 0.299 0.000 1.015 361 N CA 0.998 54.244 53.050 0.327 0.000 0.862 361 N CB -0.020 38.739 38.487 0.453 0.000 0.986 361 N HN 0.530 nan 8.380 nan 0.000 0.429 362 G N 0.069 108.945 108.800 0.127 0.000 2.658 362 G HA2 0.435 4.394 3.960 -0.001 0.000 0.292 362 G HA3 0.435 4.394 3.960 -0.001 0.000 0.292 362 G C -2.371 172.436 174.900 -0.155 0.000 1.320 362 G CA -1.129 43.958 45.100 -0.021 0.000 0.933 362 G HN -0.106 nan 8.290 nan 0.000 0.476 363 P HA 0.096 nan 4.420 nan 0.000 0.241 363 P C 0.869 178.025 177.300 -0.240 0.000 1.191 363 P CA 0.288 63.168 63.100 -0.367 0.000 0.771 363 P CB 0.584 31.802 31.700 -0.802 0.000 0.929 364 I N 0.420 120.887 120.570 -0.171 0.000 4.682 364 I HA 0.219 4.389 4.170 -0.001 0.000 0.229 364 I C 0.389 176.473 176.117 -0.054 0.000 0.980 364 I CA 0.963 62.228 61.300 -0.058 0.000 1.588 364 I CB -1.032 37.010 38.000 0.070 0.000 1.448 364 I HN -0.076 nan 8.210 nan 0.000 0.457 365 D N -0.639 119.686 120.400 -0.125 0.000 2.881 365 D HA 0.176 4.816 4.640 -0.001 0.000 0.238 365 D C -0.805 175.404 176.300 -0.152 0.000 1.368 365 D CA -0.439 53.412 54.000 -0.249 0.000 0.871 365 D CB -0.208 40.577 40.800 -0.025 0.000 1.516 365 D HN 0.159 nan 8.370 nan 0.000 0.544 366 F N -0.050 119.890 119.950 -0.016 0.000 3.100 366 F HA -0.275 4.251 4.527 -0.001 0.000 0.284 366 F C 0.962 176.744 175.800 -0.029 0.000 0.875 366 F CA 0.544 58.589 58.000 0.075 0.000 1.039 366 F CB -1.799 37.339 39.000 0.228 0.000 1.111 366 F HN 0.390 nan 8.300 nan 0.000 0.575 367 Q N 0.414 120.198 119.800 -0.027 0.000 2.421 367 Q HA 0.081 4.420 4.340 -0.001 0.000 0.255 367 Q C -0.926 175.074 176.000 0.001 0.000 1.013 367 Q CA -1.054 54.652 55.803 -0.161 0.000 0.895 367 Q CB 0.139 28.831 28.738 -0.077 0.000 1.271 367 Q HN 0.028 nan 8.270 nan 0.000 0.460 368 P HA -0.141 nan 4.420 nan 0.000 0.217 368 P C 0.009 177.373 177.300 0.107 0.000 1.148 368 P CA 1.486 64.501 63.100 -0.143 0.000 0.828 368 P CB 0.308 31.701 31.700 -0.511 0.000 0.783 369 R N -0.338 120.222 120.500 0.100 0.000 2.533 369 R HA 0.336 4.676 4.340 -0.001 0.000 0.288 369 R C -1.174 175.283 176.300 0.261 0.000 1.039 369 R CA -0.449 55.745 56.100 0.156 0.000 0.909 369 R CB 1.583 31.952 30.300 0.114 0.000 1.195 369 R HN -0.122 nan 8.270 nan 0.000 0.438 370 E N 4.356 124.624 120.200 0.114 0.000 2.317 370 E HA 0.413 4.762 4.350 -0.001 0.000 0.270 370 E C -2.475 173.978 176.600 -0.246 0.000 0.885 370 E CA -2.237 54.063 56.400 -0.166 0.000 0.760 370 E CB 2.700 32.318 29.700 -0.136 0.000 1.227 370 E HN 0.453 nan 8.360 nan 0.000 0.434 371 P HA 0.047 nan 4.420 nan 0.000 0.272 371 P C -0.379 176.970 177.300 0.082 0.000 1.240 371 P CA -0.327 62.659 63.100 -0.191 0.000 0.791 371 P CB 0.236 31.765 31.700 -0.286 0.000 0.978 372 F N -0.938 119.185 119.950 0.288 0.000 2.553 372 F HA 0.228 4.754 4.527 -0.001 0.000 0.356 372 F C 0.394 176.414 175.800 0.367 0.000 1.142 372 F CA -0.613 57.590 58.000 0.338 0.000 1.322 372 F CB -0.562 38.658 39.000 0.366 0.000 1.126 372 F HN 0.093 nan 8.300 nan 0.000 0.599 373 S N 2.837 118.793 115.700 0.426 0.000 2.515 373 S HA 0.262 4.732 4.470 -0.001 0.000 0.285 373 S C 1.252 175.956 174.600 0.173 0.000 1.265 373 S CA -0.123 58.149 58.200 0.119 0.000 1.079 373 S CB 0.809 63.966 63.200 -0.072 0.000 0.877 373 S HN 0.929 nan 8.310 nan 0.000 0.493 374 A N 4.343 127.061 122.820 -0.170 0.000 2.024 374 A HA -0.090 4.230 4.320 -0.001 0.000 0.220 374 A C 1.931 179.607 177.584 0.154 0.000 1.164 374 A CA 1.153 53.011 52.037 -0.300 0.000 0.643 374 A CB -0.537 17.874 19.000 -0.980 0.000 0.806 374 A HN 0.829 nan 8.150 nan 0.000 0.451 375 L N -1.849 119.445 121.223 0.117 0.000 2.129 375 L HA -0.230 4.109 4.340 -0.001 0.000 0.212 375 L C 2.357 179.256 176.870 0.048 0.000 1.087 375 L CA 1.295 56.161 54.840 0.043 0.000 0.757 375 L CB -0.550 41.405 42.059 -0.173 0.000 0.896 375 L HN 0.398 nan 8.230 nan 0.000 0.434 376 F N -0.155 119.927 119.950 0.220 0.000 2.161 376 F HA -0.210 4.316 4.527 -0.001 0.000 0.300 376 F C 2.453 178.449 175.800 0.328 0.000 1.089 376 F CA 1.227 59.361 58.000 0.223 0.000 1.282 376 F CB -0.763 38.357 39.000 0.199 0.000 1.010 376 F HN 0.028 nan 8.300 nan 0.000 0.485 377 A N -0.921 122.245 122.820 0.577 0.000 2.238 377 A HA 0.359 4.678 4.320 -0.001 0.000 0.210 377 A C 2.327 180.178 177.584 0.445 0.000 1.179 377 A CA 0.971 53.334 52.037 0.543 0.000 0.827 377 A CB -0.947 18.386 19.000 0.555 0.000 0.856 377 A HN 0.364 nan 8.150 nan 0.000 0.488 378 G N -1.412 107.561 108.800 0.289 0.000 2.673 378 G HA2 0.253 4.213 3.960 -0.001 0.000 0.208 378 G HA3 0.253 4.213 3.960 -0.001 0.000 0.208 378 G C 0.629 175.450 174.900 -0.131 0.000 1.128 378 G CA -0.184 45.001 45.100 0.141 0.000 0.805 378 G HN 0.271 nan 8.290 nan 0.000 0.526 379 M N 2.650 122.139 119.600 -0.185 0.000 2.156 379 M HA 0.238 4.717 4.480 -0.001 0.000 0.345 379 M C 0.946 176.854 176.300 -0.654 0.000 1.398 379 M CA -0.057 55.072 55.300 -0.284 0.000 1.148 379 M CB 1.015 33.526 32.600 -0.148 0.000 1.663 379 M HN 0.217 nan 8.290 nan 0.000 0.464 380 S N 2.873 118.177 115.700 -0.660 0.000 2.523 380 S HA 0.234 4.704 4.470 -0.001 0.000 0.217 380 S C 1.015 175.450 174.600 -0.275 0.000 0.996 380 S CA -0.353 57.333 58.200 -0.857 0.000 0.921 380 S CB 0.440 63.273 63.200 -0.610 0.000 0.829 380 S HN 0.778 nan 8.310 nan 0.000 0.495 381 R N 0.802 121.214 120.500 -0.148 0.000 2.616 381 R HA 0.328 4.668 4.340 -0.001 0.000 0.427 381 R C -0.923 175.395 176.300 0.031 0.000 1.030 381 R CA -0.040 56.045 56.100 -0.025 0.000 1.133 381 R CB 1.203 31.494 30.300 -0.015 0.000 1.444 381 R HN 0.200 nan 8.270 nan 0.000 0.578 382 T N 0.544 115.109 114.554 0.017 0.000 2.886 382 T HA 0.290 4.640 4.350 -0.001 0.000 0.292 382 T C -0.554 174.167 174.700 0.035 0.000 1.012 382 T CA -0.859 61.272 62.100 0.051 0.000 0.982 382 T CB 1.835 70.728 68.868 0.042 0.000 1.018 382 T HN 0.016 nan 8.240 nan 0.000 0.451 383 N N 2.748 121.478 118.700 0.049 0.000 2.492 383 N HA 0.333 5.073 4.740 -0.001 0.000 0.262 383 N C -0.501 175.021 175.510 0.021 0.000 1.202 383 N CA 0.309 53.404 53.050 0.076 0.000 0.926 383 N CB 0.465 39.024 38.487 0.120 0.000 1.078 383 N HN 0.556 nan 8.380 nan 0.000 0.454 384 M N 1.744 121.384 119.600 0.067 0.000 2.572 384 M HA 0.536 5.015 4.480 -0.001 0.000 0.299 384 M C -0.298 176.049 176.300 0.080 0.000 1.205 384 M CA -0.706 54.629 55.300 0.058 0.000 0.876 384 M CB 2.307 34.993 32.600 0.145 0.000 1.728 384 M HN 0.453 nan 8.290 nan 0.000 0.458 385 M N 1.088 120.721 119.600 0.056 0.000 2.569 385 M HA 0.668 5.148 4.480 -0.001 0.000 0.279 385 M C -1.619 174.708 176.300 0.045 0.000 1.253 385 M CA -0.989 54.313 55.300 0.004 0.000 0.867 385 M CB 2.434 34.963 32.600 -0.118 0.000 1.727 385 M HN 0.674 nan 8.290 nan 0.000 0.467 386 M N 2.169 121.731 119.600 -0.063 0.000 2.249 386 M HA 0.393 4.872 4.480 -0.001 0.000 0.351 386 M C -0.906 175.266 176.300 -0.214 0.000 1.180 386 M CA 0.500 55.715 55.300 -0.142 0.000 1.127 386 M CB 1.001 33.297 32.600 -0.507 0.000 1.546 386 M HN 0.790 nan 8.290 nan 0.000 0.461 387 E N 4.270 124.376 120.200 -0.157 0.000 2.155 387 E HA 0.394 4.743 4.350 -0.001 0.000 0.264 387 E C -1.813 174.799 176.600 0.020 0.000 0.886 387 E CA -0.260 56.096 56.400 -0.073 0.000 0.752 387 E CB 0.809 30.544 29.700 0.058 0.000 1.133 387 E HN 0.729 nan 8.360 nan 0.000 0.414 388 F N 2.002 121.918 119.950 -0.057 0.000 2.507 388 F HA 0.333 4.859 4.527 -0.001 0.000 0.327 388 F C 0.320 175.783 175.800 -0.562 0.000 1.068 388 F CA -0.999 56.889 58.000 -0.187 0.000 0.965 388 F CB 2.130 40.858 39.000 -0.453 0.000 1.192 388 F HN 0.341 nan 8.300 nan 0.000 0.476 389 Q N 1.896 121.390 119.800 -0.510 0.000 2.322 389 Q HA 0.393 4.733 4.340 -0.001 0.000 0.265 389 Q C -0.511 175.282 176.000 -0.344 0.000 0.985 389 Q CA -0.394 54.915 55.803 -0.824 0.000 0.849 389 Q CB 1.625 29.499 28.738 -1.441 0.000 1.274 389 Q HN 0.709 nan 8.270 nan 0.000 0.449 390 I N 1.309 121.644 120.570 -0.390 0.000 2.947 390 I HA 0.014 4.184 4.170 -0.001 0.000 0.263 390 I C 1.097 177.099 176.117 -0.193 0.000 1.130 390 I CA 0.410 61.581 61.300 -0.216 0.000 1.448 390 I CB 0.230 38.062 38.000 -0.280 0.000 1.222 390 I HN 0.563 nan 8.210 nan 0.000 0.453 391 T N 2.032 116.424 114.554 -0.271 0.000 2.934 391 T HA -0.043 4.307 4.350 -0.001 0.000 0.306 391 T C 0.394 175.094 174.700 0.001 0.000 1.042 391 T CA 0.132 62.163 62.100 -0.116 0.000 1.145 391 T CB 0.187 68.911 68.868 -0.240 0.000 0.982 391 T HN 0.232 nan 8.240 nan 0.000 0.544 392 Q N 3.548 123.430 119.800 0.138 0.000 3.247 392 Q HA 0.106 4.446 4.340 -0.001 0.000 0.326 392 Q C 1.365 177.410 176.000 0.074 0.000 1.402 392 Q CA -0.207 55.662 55.803 0.109 0.000 0.994 392 Q CB 0.263 29.055 28.738 0.090 0.000 1.647 392 Q HN 0.836 nan 8.270 nan 0.000 0.523 393 E N 0.304 120.555 120.200 0.086 0.000 2.118 393 E HA -0.225 4.125 4.350 -0.001 0.000 0.195 393 E C 0.236 176.661 176.600 -0.291 0.000 0.992 393 E CA 1.443 57.796 56.400 -0.079 0.000 0.804 393 E CB 0.253 29.774 29.700 -0.298 0.000 0.741 393 E HN 0.551 nan 8.360 nan 0.000 0.458 394 Y N -2.240 118.032 120.300 -0.046 0.000 2.500 394 Y HA 0.236 4.786 4.550 0.000 0.000 0.246 394 Y C 0.192 175.867 175.900 -0.375 0.000 1.146 394 Y CA -0.292 57.588 58.100 -0.367 0.000 1.230 394 Y CB 0.665 38.835 38.460 -0.484 0.000 1.214 394 Y HN -0.000 nan 8.280 nan 0.000 0.526 395 F N -0.431 119.496 119.950 -0.037 0.000 2.735 395 F HA 0.500 5.027 4.527 -0.001 0.000 0.304 395 F C 1.263 176.900 175.800 -0.271 0.000 1.119 395 F CA -0.058 57.852 58.000 -0.149 0.000 1.280 395 F CB 0.953 39.873 39.000 -0.132 0.000 0.994 395 F HN 0.017 nan 8.300 nan 0.000 0.520 396 G N -0.308 108.349 108.800 -0.239 0.000 2.141 396 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.195 396 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.195 396 G C 0.359 175.254 174.900 -0.007 0.000 1.012 396 G CA -0.321 44.412 45.100 -0.612 0.000 0.696 396 G HN 0.096 nan 8.290 nan 0.000 0.508 397 F N -1.954 117.783 119.950 -0.355 0.000 2.183 397 F HA -0.295 4.231 4.527 -0.001 0.000 0.318 397 F C 2.108 177.809 175.800 -0.165 0.000 1.438 397 F CA 1.489 59.042 58.000 -0.744 0.000 0.912 397 F CB -1.916 36.744 39.000 -0.566 0.000 4.134 397 F HN 1.220 nan 8.300 nan 0.000 0.137 398 A N -0.528 122.479 122.820 0.311 0.000 2.465 398 A HA 0.484 4.803 4.320 -0.001 0.000 0.255 398 A C 1.149 179.011 177.584 0.464 0.000 1.274 398 A CA 1.043 53.309 52.037 0.382 0.000 0.920 398 A CB -0.636 18.581 19.000 0.361 0.000 1.033 398 A HN 0.926 nan 8.150 nan 0.000 0.516 399 T N -3.808 111.038 114.554 0.487 0.000 2.971 399 T HA 0.235 4.585 4.350 -0.001 0.000 0.252 399 T C 0.486 175.484 174.700 0.497 0.000 1.022 399 T CA 0.105 62.502 62.100 0.494 0.000 0.980 399 T CB -0.286 68.857 68.868 0.458 0.000 1.044 399 T HN 0.534 nan 8.240 nan 0.000 0.501 400 H N 0.533 119.718 119.070 0.191 0.000 2.472 400 H HA 0.492 5.047 4.556 -0.001 0.000 0.338 400 H C -0.887 174.284 175.328 -0.262 0.000 1.133 400 H CA -1.056 55.020 56.048 0.046 0.000 1.216 400 H CB 2.327 32.139 29.762 0.085 0.000 1.497 400 H HN 0.092 nan 8.280 nan 0.000 0.500 401 L N 2.685 123.805 121.223 -0.171 0.000 2.315 401 L HA 0.377 4.717 4.340 -0.001 0.000 0.283 401 L C -0.428 176.327 176.870 -0.191 0.000 1.089 401 L CA -0.218 54.381 54.840 -0.401 0.000 0.833 401 L CB 0.034 41.873 42.059 -0.366 0.000 1.170 401 L HN 0.759 nan 8.230 nan 0.000 0.442 402 A N 4.874 127.578 122.820 -0.195 0.000 3.005 402 A HA 0.161 4.480 4.320 -0.001 0.000 0.308 402 A C -1.142 176.294 177.584 -0.248 0.000 1.173 402 A CA -0.489 51.433 52.037 -0.192 0.000 0.796 402 A CB 0.026 18.930 19.000 -0.159 0.000 1.325 402 A HN 0.607 nan 8.150 nan 0.000 0.467 403 Y N 1.910 122.035 120.300 -0.291 0.000 2.729 403 Y HA 0.129 4.679 4.550 -0.001 0.000 0.331 403 Y C 0.920 176.532 175.900 -0.479 0.000 1.208 403 Y CA 0.342 58.260 58.100 -0.303 0.000 1.521 403 Y CB 0.725 39.071 38.460 -0.189 0.000 1.233 403 Y HN 0.639 nan 8.280 nan 0.000 0.539 404 Q N 4.562 123.846 119.800 -0.860 0.000 2.392 404 Q HA 0.080 4.420 4.340 -0.001 0.000 0.203 404 Q C 2.143 177.134 176.000 -1.682 0.000 0.917 404 Q CA 0.681 55.716 55.803 -1.279 0.000 0.939 404 Q CB 0.016 28.003 28.738 -1.251 0.000 1.063 404 Q HN 1.111 nan 8.270 nan 0.000 0.516 405 G N 2.749 110.471 108.800 -1.796 0.000 2.574 405 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.220 405 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.220 405 G C -1.020 173.398 174.900 -0.803 0.000 1.173 405 G CA 0.791 45.120 45.100 -1.286 0.000 0.772 405 G HN 0.365 nan 8.290 nan 0.000 0.585 406 P HA -0.023 nan 4.420 nan 0.000 0.218 406 P C 2.042 179.129 177.300 -0.354 0.000 1.149 406 P CA 0.498 63.362 63.100 -0.393 0.000 0.817 406 P CB -0.089 31.433 31.700 -0.296 0.000 0.785 407 L N -1.929 118.984 121.223 -0.517 0.000 2.017 407 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 407 L C 2.056 178.772 176.870 -0.257 0.000 1.073 407 L CA 1.771 56.389 54.840 -0.371 0.000 0.745 407 L CB -0.578 41.199 42.059 -0.470 0.000 0.894 407 L HN -0.146 nan 8.230 nan 0.000 0.432 408 F N 0.384 120.022 119.950 -0.520 0.000 2.113 408 F HA -0.193 4.334 4.527 -0.001 0.000 0.297 408 F C 2.616 178.256 175.800 -0.266 0.000 1.103 408 F CA 1.467 59.029 58.000 -0.730 0.000 1.248 408 F CB -1.218 37.257 39.000 -0.874 0.000 0.999 408 F HN 0.256 nan 8.300 nan 0.000 0.475 409 E N 0.524 120.694 120.200 -0.050 0.000 2.058 409 E HA -0.288 4.061 4.350 -0.001 0.000 0.194 409 E C 2.223 178.831 176.600 0.013 0.000 0.997 409 E CA 1.542 57.934 56.400 -0.013 0.000 0.801 409 E CB -0.210 29.460 29.700 -0.050 0.000 0.746 409 E HN 0.546 nan 8.360 nan 0.000 0.450 410 E N -0.069 120.126 120.200 -0.009 0.000 2.058 410 E HA -0.208 4.141 4.350 -0.001 0.000 0.194 410 E C 2.132 178.781 176.600 0.081 0.000 0.997 410 E CA 1.548 57.964 56.400 0.028 0.000 0.801 410 E CB -0.156 29.552 29.700 0.014 0.000 0.746 410 E HN 0.095 nan 8.360 nan 0.000 0.450 411 S N 0.093 115.874 115.700 0.135 0.000 2.343 411 S HA -0.112 4.358 4.470 -0.001 0.000 0.219 411 S C 1.919 176.581 174.600 0.103 0.000 1.033 411 S CA 1.269 59.591 58.200 0.203 0.000 1.014 411 S CB -0.250 63.206 63.200 0.427 0.000 0.915 411 S HN 0.286 nan 8.310 nan 0.000 0.435 412 L N 0.754 122.052 121.223 0.125 0.000 2.131 412 L HA -0.050 4.290 4.340 -0.001 0.000 0.210 412 L C 1.959 178.816 176.870 -0.023 0.000 1.092 412 L CA 1.154 56.012 54.840 0.029 0.000 0.759 412 L CB -0.339 41.780 42.059 0.100 0.000 0.903 412 L HN 0.188 nan 8.230 nan 0.000 0.435 413 K N -0.789 119.614 120.400 0.005 0.000 2.458 413 K HA 0.088 4.407 4.320 -0.001 0.000 0.194 413 K C 0.282 176.856 176.600 -0.043 0.000 1.024 413 K CA -0.039 56.239 56.287 -0.015 0.000 1.108 413 K CB 0.094 32.597 32.500 0.005 0.000 0.846 413 K HN 0.120 nan 8.250 nan 0.000 0.518 414 T N 2.242 116.764 114.554 -0.054 0.000 2.817 414 T HA -0.006 4.344 4.350 -0.001 0.000 0.295 414 T C -0.070 174.511 174.700 -0.198 0.000 0.958 414 T CA 0.057 62.119 62.100 -0.062 0.000 1.157 414 T CB 0.626 69.490 68.868 -0.006 0.000 0.898 414 T HN 0.100 nan 8.240 nan 0.000 0.536 415 E N 2.552 122.648 120.200 -0.173 0.000 2.299 415 E HA 0.103 4.453 4.350 -0.001 0.000 0.272 415 E C 1.274 177.652 176.600 -0.370 0.000 1.043 415 E CA -0.010 56.203 56.400 -0.311 0.000 0.895 415 E CB 0.564 30.052 29.700 -0.353 0.000 1.011 415 E HN 0.681 nan 8.360 nan 0.000 0.432 416 T N 1.213 115.499 114.554 -0.448 0.000 3.037 416 T HA -0.003 4.347 4.350 -0.001 0.000 0.252 416 T C 0.308 175.010 174.700 0.002 0.000 1.073 416 T CA 0.501 62.406 62.100 -0.324 0.000 1.091 416 T CB -0.272 68.334 68.868 -0.437 0.000 0.935 416 T HN 0.697 nan 8.240 nan 0.000 0.488 417 H N 0.031 119.060 119.070 -0.069 0.000 2.899 417 H HA -0.188 4.368 4.556 -0.001 0.000 0.282 417 H C 1.604 176.935 175.328 0.005 0.000 1.198 417 H CA 0.503 56.530 56.048 -0.035 0.000 1.140 417 H CB -1.840 27.902 29.762 -0.032 0.000 1.317 417 H HN 0.648 nan 8.280 nan 0.000 0.375 418 A N 0.844 123.712 122.820 0.080 0.000 1.902 418 A HA -0.082 4.238 4.320 -0.001 0.000 0.217 418 A C 1.764 179.408 177.584 0.100 0.000 1.181 418 A CA 1.774 53.894 52.037 0.138 0.000 0.623 418 A CB 0.061 19.142 19.000 0.136 0.000 0.818 418 A HN 0.369 nan 8.150 nan 0.000 0.443 419 R N -1.617 118.877 120.500 -0.010 0.000 2.754 419 R HA 0.442 4.781 4.340 -0.001 0.000 0.255 419 R C 0.003 176.286 176.300 -0.028 0.000 1.723 419 R CA 0.456 56.549 56.100 -0.011 0.000 1.596 419 R CB -0.137 30.123 30.300 -0.067 0.000 1.424 419 R HN 1.087 nan 8.270 nan 0.000 0.662 420 G N 1.372 110.182 108.800 0.017 0.000 2.796 420 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.571 420 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.571 420 G C -0.747 174.152 174.900 -0.003 0.000 1.370 420 G CA -0.701 44.410 45.100 0.018 0.000 0.856 420 G HN 0.489 nan 8.290 nan 0.000 0.538 421 E N 0.062 120.263 120.200 0.003 0.000 2.398 421 E HA 0.410 4.760 4.350 -0.001 0.000 0.263 421 E C 1.317 177.863 176.600 -0.090 0.000 1.046 421 E CA 1.288 57.657 56.400 -0.051 0.000 0.908 421 E CB 0.489 30.179 29.700 -0.016 0.000 0.963 421 E HN 2.215 nan 8.360 nan 0.000 0.431 422 G N 1.905 110.626 108.800 -0.132 0.000 2.157 422 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.239 422 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.239 422 G C 0.386 175.189 174.900 -0.162 0.000 0.982 422 G CA 0.209 45.235 45.100 -0.124 0.000 0.650 422 G HN 0.420 nan 8.290 nan 0.000 0.527 423 S N 2.137 117.715 115.700 -0.203 0.000 3.811 423 S HA 0.409 4.879 4.470 -0.001 0.000 0.205 423 S C 1.093 175.528 174.600 -0.275 0.000 1.445 423 S CA 0.502 58.558 58.200 -0.239 0.000 1.097 423 S CB -0.162 62.909 63.200 -0.215 0.000 1.350 423 S HN 1.034 nan 8.310 nan 0.000 0.471 424 T N -0.571 113.834 114.554 -0.248 0.000 2.860 424 T HA 0.294 4.644 4.350 -0.001 0.000 0.299 424 T C 1.615 176.125 174.700 -0.316 0.000 1.045 424 T CA -0.782 61.161 62.100 -0.262 0.000 1.071 424 T CB 0.476 69.236 68.868 -0.180 0.000 0.985 424 T HN 0.078 nan 8.240 nan 0.000 0.537 425 I N 1.851 122.208 120.570 -0.355 0.000 2.194 425 I HA -0.138 4.032 4.170 -0.001 0.000 0.246 425 I C 2.784 178.626 176.117 -0.457 0.000 1.093 425 I CA 2.073 63.112 61.300 -0.435 0.000 1.355 425 I CB -1.965 35.778 38.000 -0.428 0.000 1.046 425 I HN 0.988 nan 8.210 nan 0.000 0.413 426 G N 1.008 109.554 108.800 -0.423 0.000 2.446 426 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.217 426 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.217 426 G C 1.489 175.829 174.900 -0.933 0.000 1.168 426 G CA 0.766 45.408 45.100 -0.764 0.000 0.771 426 G HN 0.335 nan 8.290 nan 0.000 0.551 427 N N 0.446 118.861 118.700 -0.474 0.000 2.244 427 N HA 0.002 4.742 4.740 -0.001 0.000 0.183 427 N C 2.217 177.560 175.510 -0.278 0.000 1.016 427 N CA 0.555 53.434 53.050 -0.286 0.000 0.866 427 N CB -0.187 38.198 38.487 -0.170 0.000 0.980 427 N HN 0.378 nan 8.380 nan 0.000 0.430 428 I N 0.718 121.109 120.570 -0.299 0.000 2.163 428 I HA -0.226 3.943 4.170 -0.001 0.000 0.240 428 I C 1.970 177.992 176.117 -0.158 0.000 1.081 428 I CA 0.799 61.968 61.300 -0.219 0.000 1.353 428 I CB -0.215 37.696 38.000 -0.148 0.000 1.054 428 I HN 0.051 nan 8.210 nan 0.000 0.407 429 L N 0.298 121.361 121.223 -0.267 0.000 2.079 429 L HA -0.251 4.088 4.340 -0.001 0.000 0.210 429 L C 2.525 179.298 176.870 -0.162 0.000 1.081 429 L CA 1.538 56.246 54.840 -0.220 0.000 0.752 429 L CB -0.663 41.201 42.059 -0.325 0.000 0.896 429 L HN 0.327 nan 8.230 nan 0.000 0.433 430 E N 0.076 120.145 120.200 -0.218 0.000 2.333 430 E HA -0.164 4.186 4.350 -0.001 0.000 0.198 430 E C 1.503 178.068 176.600 -0.058 0.000 1.007 430 E CA 0.780 57.118 56.400 -0.104 0.000 0.845 430 E CB 0.028 29.709 29.700 -0.032 0.000 0.766 430 E HN 0.523 nan 8.360 nan 0.000 0.507 431 G N 0.688 109.457 108.800 -0.053 0.000 2.175 431 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.244 431 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.244 431 G C 0.860 175.745 174.900 -0.025 0.000 0.982 431 G CA 0.427 45.525 45.100 -0.005 0.000 0.641 431 G HN 0.283 nan 8.290 nan 0.000 0.527 432 K N -0.081 120.279 120.400 -0.067 0.000 2.288 432 K HA 0.215 4.535 4.320 -0.001 0.000 0.201 432 K C 2.351 178.878 176.600 -0.120 0.000 1.048 432 K CA 1.283 57.524 56.287 -0.076 0.000 0.956 432 K CB 0.091 32.544 32.500 -0.078 0.000 0.746 432 K HN 0.366 nan 8.250 nan 0.000 0.461 433 V N 0.118 119.903 119.914 -0.215 0.000 2.331 433 V HA -0.115 4.005 4.120 -0.001 0.000 0.242 433 V C 1.433 177.287 176.094 -0.399 0.000 1.034 433 V CA 1.489 63.544 62.300 -0.410 0.000 1.027 433 V CB -0.240 31.173 31.823 -0.684 0.000 0.667 433 V HN 0.125 nan 8.190 nan 0.000 0.457 434 F N -0.273 119.679 119.950 0.004 0.000 2.721 434 F HA 0.373 4.900 4.527 -0.001 0.000 0.301 434 F C 0.719 176.530 175.800 0.017 0.000 1.096 434 F CA -0.721 57.290 58.000 0.018 0.000 1.308 434 F CB 0.028 39.047 39.000 0.032 0.000 1.086 434 F HN -0.027 nan 8.300 nan 0.000 0.587 435 K N 1.489 121.973 120.400 0.140 0.000 3.898 435 K HA -0.148 4.172 4.320 -0.001 0.000 0.282 435 K C -0.052 176.609 176.600 0.102 0.000 1.014 435 K CA 0.809 57.150 56.287 0.090 0.000 0.848 435 K CB -2.597 29.947 32.500 0.073 0.000 1.469 435 K HN 0.471 nan 8.250 nan 0.000 0.446 436 T N -3.177 111.439 114.554 0.103 0.000 2.950 436 T HA 0.630 4.980 4.350 -0.001 0.000 0.288 436 T C 1.246 175.991 174.700 0.074 0.000 1.035 436 T CA -1.036 61.126 62.100 0.105 0.000 1.028 436 T CB 2.315 71.264 68.868 0.135 0.000 1.109 436 T HN 0.232 nan 8.240 nan 0.000 0.514 437 R N -0.842 119.713 120.500 0.091 0.000 2.140 437 R HA 0.212 4.551 4.340 -0.001 0.000 0.213 437 R C 0.037 176.315 176.300 -0.036 0.000 1.059 437 R CA 0.658 56.775 56.100 0.029 0.000 1.000 437 R CB 0.061 30.402 30.300 0.068 0.000 0.910 437 R HN 0.696 nan 8.270 nan 0.000 0.455 438 H N -1.047 118.091 119.070 0.113 0.000 2.609 438 H HA 0.304 4.860 4.556 -0.001 0.000 0.344 438 H C -0.824 174.604 175.328 0.166 0.000 1.040 438 H CA -0.538 55.619 56.048 0.181 0.000 1.216 438 H CB 1.830 31.730 29.762 0.232 0.000 1.529 438 H HN 0.025 nan 8.280 nan 0.000 0.519 439 T N 0.835 115.559 114.554 0.283 0.000 2.906 439 T HA 0.891 5.241 4.350 -0.001 0.000 0.295 439 T C 0.137 174.944 174.700 0.178 0.000 1.075 439 T CA -0.537 61.659 62.100 0.159 0.000 1.005 439 T CB 2.410 71.304 68.868 0.043 0.000 1.136 439 T HN 0.804 nan 8.240 nan 0.000 0.498 440 G N 0.138 108.972 108.800 0.057 0.000 2.349 440 G HA2 0.524 4.484 3.960 -0.001 0.000 0.294 440 G HA3 0.524 4.484 3.960 -0.001 0.000 0.294 440 G C -2.061 172.784 174.900 -0.090 0.000 1.380 440 G CA -0.826 44.279 45.100 0.010 0.000 0.811 440 G HN 1.003 nan 8.290 nan 0.000 0.519 441 M N 0.252 119.787 119.600 -0.108 0.000 2.322 441 M HA 0.666 5.146 4.480 -0.001 0.000 0.285 441 M C -1.281 175.027 176.300 0.012 0.000 1.119 441 M CA -0.669 54.573 55.300 -0.097 0.000 0.953 441 M CB 1.903 34.430 32.600 -0.121 0.000 1.701 441 M HN 1.352 nan 8.290 nan 0.000 0.479 442 A N 2.692 125.493 122.820 -0.031 0.000 2.350 442 A HA 0.943 5.263 4.320 -0.001 0.000 0.324 442 A C -0.384 177.048 177.584 -0.255 0.000 1.118 442 A CA -0.492 51.487 52.037 -0.096 0.000 0.783 442 A CB 1.571 20.414 19.000 -0.262 0.000 1.236 442 A HN 0.931 nan 8.150 nan 0.000 0.457 443 G N 0.397 108.765 108.800 -0.719 0.000 2.644 443 G HA2 0.512 4.472 3.960 -0.001 0.000 0.300 443 G HA3 0.512 4.472 3.960 -0.001 0.000 0.300 443 G C -0.921 173.397 174.900 -0.971 0.000 1.395 443 G CA -0.337 43.920 45.100 -1.405 0.000 0.964 443 G HN 0.767 nan 8.290 nan 0.000 0.511 444 V N 4.803 124.213 119.914 -0.841 0.000 2.352 444 V HA 0.085 4.205 4.120 -0.001 0.000 0.253 444 V C 1.473 177.030 176.094 -0.896 0.000 1.083 444 V CA -0.034 61.705 62.300 -0.935 0.000 0.993 444 V CB -0.290 30.840 31.823 -1.156 0.000 1.111 444 V HN 0.774 nan 8.190 nan 0.000 0.490 445 I N 1.107 121.135 120.570 -0.904 0.000 2.731 445 I HA 0.211 4.381 4.170 -0.001 0.000 0.260 445 I C 0.899 176.638 176.117 -0.630 0.000 1.138 445 I CA 0.056 60.857 61.300 -0.832 0.000 1.461 445 I CB -0.250 37.030 38.000 -1.200 0.000 1.128 445 I HN 0.535 nan 8.210 nan 0.000 0.438 446 N N 1.539 119.860 118.700 -0.631 0.000 2.707 446 N HA -0.119 4.621 4.740 -0.001 0.000 0.253 446 N C -2.203 173.193 175.510 -0.189 0.000 0.998 446 N CA 0.928 53.754 53.050 -0.373 0.000 0.751 446 N CB -1.557 36.674 38.487 -0.428 0.000 0.920 446 N HN 0.495 nan 8.380 nan 0.000 0.539 447 P HA 0.478 nan 4.420 nan 0.000 0.277 447 P C 0.634 177.975 177.300 0.067 0.000 1.271 447 P CA -0.053 63.100 63.100 0.089 0.000 0.795 447 P CB 1.160 33.032 31.700 0.286 0.000 1.101 448 G N -1.453 107.397 108.800 0.083 0.000 2.911 448 G HA2 0.415 4.375 3.960 -0.001 0.000 0.299 448 G HA3 0.415 4.375 3.960 -0.001 0.000 0.299 448 G C 0.485 175.328 174.900 -0.096 0.000 1.283 448 G CA -0.011 45.063 45.100 -0.043 0.000 0.805 448 G HN 0.445 nan 8.290 nan 0.000 0.548 449 T N -1.191 113.278 114.554 -0.141 0.000 3.163 449 T HA 0.094 4.443 4.350 -0.001 0.000 0.260 449 T C 0.279 174.888 174.700 -0.152 0.000 1.156 449 T CA 0.505 62.492 62.100 -0.188 0.000 1.072 449 T CB -0.264 68.516 68.868 -0.148 0.000 0.937 449 T HN 0.228 nan 8.240 nan 0.000 0.528 450 D N 1.876 122.232 120.400 -0.074 0.000 2.506 450 D HA 0.122 4.762 4.640 -0.001 0.000 0.234 450 D C 1.261 177.514 176.300 -0.079 0.000 1.143 450 D CA -0.147 53.836 54.000 -0.028 0.000 0.871 450 D CB 0.615 41.446 40.800 0.052 0.000 1.190 450 D HN 0.031 nan 8.370 nan 0.000 0.459 451 R N 2.356 122.833 120.500 -0.039 0.000 2.117 451 R HA -0.172 4.167 4.340 -0.001 0.000 0.243 451 R C 1.030 177.358 176.300 0.047 0.000 1.143 451 R CA 1.575 57.663 56.100 -0.019 0.000 0.968 451 R CB -0.342 29.967 30.300 0.016 0.000 0.863 451 R HN 0.525 nan 8.270 nan 0.000 0.444 452 N N -1.269 117.497 118.700 0.111 0.000 2.314 452 N HA -0.054 4.686 4.740 -0.001 0.000 0.200 452 N C -0.158 175.604 175.510 0.419 0.000 1.135 452 N CA 0.598 53.795 53.050 0.245 0.000 0.835 452 N CB -0.377 38.230 38.487 0.198 0.000 0.989 452 N HN 0.395 nan 8.380 nan 0.000 0.478 453 W N -0.879 120.482 121.300 0.101 0.000 1.135 453 W HA -0.333 4.329 4.660 0.003 0.000 0.224 453 W C 1.436 178.075 176.519 0.201 0.000 0.934 453 W CA 2.040 59.473 57.345 0.146 0.000 0.370 453 W CB -1.996 27.562 29.460 0.163 0.000 1.931 453 W HN 0.458 nan 8.180 nan 0.000 1.394 454 T N -4.073 110.739 114.554 0.429 0.000 3.003 454 T HA 0.591 4.941 4.350 -0.001 0.000 0.261 454 T C 1.562 176.442 174.700 0.301 0.000 1.003 454 T CA 1.181 63.497 62.100 0.360 0.000 0.917 454 T CB 0.525 69.635 68.868 0.403 0.000 1.084 454 T HN 1.352 nan 8.240 nan 0.000 0.522 455 G N 1.928 110.886 108.800 0.264 0.000 5.347 455 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.299 455 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.299 455 G C -0.029 175.023 174.900 0.253 0.000 1.492 455 G CA 0.130 45.374 45.100 0.240 0.000 0.991 455 G HN 0.942 nan 8.290 nan 0.000 0.749 456 H N 3.927 123.136 119.070 0.232 0.000 2.767 456 H HA 0.465 5.021 4.556 -0.000 0.000 0.316 456 H C -0.971 174.523 175.328 0.277 0.000 1.059 456 H CA -0.897 55.296 56.048 0.241 0.000 1.461 456 H CB 1.609 31.514 29.762 0.238 0.000 1.475 456 H HN 0.132 nan 8.280 nan 0.000 0.531 457 P HA -0.216 nan 4.420 nan 0.000 0.216 457 P C 0.694 178.272 177.300 0.464 0.000 1.150 457 P CA 1.335 64.662 63.100 0.379 0.000 0.843 457 P CB 0.070 31.973 31.700 0.339 0.000 0.787 458 F N -1.504 118.786 119.950 0.567 0.000 2.502 458 F HA -0.086 4.440 4.527 -0.001 0.000 0.298 458 F C 2.126 177.952 175.800 0.043 0.000 1.111 458 F CA 0.666 58.817 58.000 0.253 0.000 1.445 458 F CB -1.068 38.016 39.000 0.140 0.000 1.081 458 F HN -0.259 nan 8.300 nan 0.000 0.558 459 V N -0.257 119.831 119.914 0.290 0.000 2.594 459 V HA -0.300 3.819 4.120 -0.001 0.000 0.253 459 V C 2.096 178.325 176.094 0.225 0.000 1.069 459 V CA 1.649 64.068 62.300 0.198 0.000 1.082 459 V CB -0.768 31.195 31.823 0.233 0.000 0.680 459 V HN 0.377 nan 8.190 nan 0.000 0.469 460 Q N 0.685 120.651 119.800 0.276 0.000 2.135 460 Q HA -0.225 4.115 4.340 -0.001 0.000 0.204 460 Q C 2.472 178.495 176.000 0.038 0.000 0.981 460 Q CA 2.057 58.086 55.803 0.376 0.000 0.856 460 Q CB -0.435 28.616 28.738 0.522 0.000 0.902 460 Q HN 0.809 nan 8.270 nan 0.000 0.425 461 S N -0.014 115.252 115.700 -0.723 0.000 2.399 461 S HA -0.119 4.350 4.470 -0.001 0.000 0.231 461 S C 2.045 176.520 174.600 -0.209 0.000 1.022 461 S CA 1.346 58.765 58.200 -1.302 0.000 0.983 461 S CB -0.211 61.878 63.200 -1.852 0.000 0.803 461 S HN 0.196 nan 8.310 nan 0.000 0.480 462 S N 0.441 116.148 115.700 0.012 0.000 2.371 462 S HA -0.005 4.465 4.470 -0.001 0.000 0.224 462 S C 1.280 176.057 174.600 0.293 0.000 1.029 462 S CA 0.773 59.040 58.200 0.113 0.000 0.978 462 S CB -0.570 62.625 63.200 -0.008 0.000 0.833 462 S HN 0.776 nan 8.310 nan 0.000 0.466 463 W N 1.856 123.209 121.300 0.089 0.000 2.358 463 W HA -0.146 4.513 4.660 -0.002 0.000 0.303 463 W C 2.009 178.578 176.519 0.083 0.000 1.208 463 W CA 0.816 58.245 57.345 0.141 0.000 1.274 463 W CB -1.204 28.389 29.460 0.222 0.000 1.138 463 W HN 0.385 nan 8.180 nan 0.000 0.515 464 Y N 1.171 121.451 120.300 -0.033 0.000 2.128 464 Y HA -0.185 4.364 4.550 -0.001 0.000 0.284 464 Y C 2.584 178.340 175.900 -0.239 0.000 1.154 464 Y CA 3.391 61.157 58.100 -0.558 0.000 1.149 464 Y CB -0.958 37.018 38.460 -0.806 0.000 0.976 464 Y HN -0.070 nan 8.280 nan 0.000 0.505 465 A N -0.133 122.726 122.820 0.064 0.000 1.902 465 A HA -0.213 4.107 4.320 -0.001 0.000 0.217 465 A C 2.176 179.769 177.584 0.014 0.000 1.181 465 A CA 1.529 53.609 52.037 0.073 0.000 0.623 465 A CB -1.572 17.542 19.000 0.191 0.000 0.818 465 A HN 0.668 nan 8.150 nan 0.000 0.443 466 F N 1.294 121.252 119.950 0.012 0.000 2.069 466 F HA -0.095 4.432 4.527 -0.000 0.000 0.298 466 F C 2.254 177.963 175.800 -0.151 0.000 1.113 466 F CA 1.852 59.749 58.000 -0.173 0.000 1.214 466 F CB -0.809 38.057 39.000 -0.224 0.000 0.978 466 F HN 0.177 nan 8.300 nan 0.000 0.474 467 G N 0.558 109.173 108.800 -0.307 0.000 2.418 467 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.217 467 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.217 467 G C 1.775 176.413 174.900 -0.437 0.000 1.158 467 G CA 0.538 45.397 45.100 -0.402 0.000 0.771 467 G HN 0.224 nan 8.290 nan 0.000 0.545 468 R N -0.080 120.128 120.500 -0.487 0.000 2.081 468 R HA 0.097 4.437 4.340 -0.001 0.000 0.235 468 R C 2.596 178.760 176.300 -0.225 0.000 1.131 468 R CA 0.967 56.825 56.100 -0.403 0.000 0.960 468 R CB -0.722 29.298 30.300 -0.466 0.000 0.856 468 R HN 0.412 nan 8.270 nan 0.000 0.436 469 M N -0.013 119.439 119.600 -0.246 0.000 2.319 469 M HA -0.023 4.457 4.480 -0.001 0.000 0.265 469 M C 2.293 178.468 176.300 -0.208 0.000 1.068 469 M CA 1.415 56.612 55.300 -0.172 0.000 1.118 469 M CB -0.215 32.314 32.600 -0.119 0.000 1.395 469 M HN 0.128 nan 8.290 nan 0.000 0.435 470 A N -0.143 122.439 122.820 -0.398 0.000 1.969 470 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 470 A C 2.002 179.480 177.584 -0.177 0.000 1.169 470 A CA 0.905 52.721 52.037 -0.368 0.000 0.635 470 A CB -0.916 17.724 19.000 -0.600 0.000 0.810 470 A HN 0.777 nan 8.150 nan 0.000 0.445 471 W N 0.385 121.499 121.300 -0.309 0.000 2.408 471 W HA 0.017 4.676 4.660 -0.001 0.000 0.311 471 W C -0.732 175.661 176.519 -0.209 0.000 1.190 471 W CA 1.698 58.892 57.345 -0.252 0.000 1.321 471 W CB 0.093 29.386 29.460 -0.279 0.000 1.143 471 W HN 0.328 nan 8.180 nan 0.000 0.501 472 D N -0.875 119.542 120.400 0.028 0.000 2.476 472 D HA 0.044 4.684 4.640 -0.001 0.000 0.251 472 D C 1.130 177.340 176.300 -0.150 0.000 1.291 472 D CA -0.317 53.615 54.000 -0.113 0.000 0.939 472 D CB 0.365 41.153 40.800 -0.020 0.000 1.221 472 D HN 0.249 nan 8.370 nan 0.000 0.567 473 H N 2.052 121.066 119.070 -0.094 0.000 2.559 473 H HA 0.033 4.589 4.556 -0.001 0.000 0.273 473 H C 0.230 175.522 175.328 -0.060 0.000 1.000 473 H CA 0.465 56.462 56.048 -0.084 0.000 1.195 473 H CB 0.374 30.076 29.762 -0.101 0.000 1.368 473 H HN 0.436 nan 8.280 nan 0.000 0.592 474 Q N 0.816 120.473 119.800 -0.239 0.000 2.360 474 Q HA 0.247 4.587 4.340 -0.001 0.000 0.202 474 Q C 0.431 176.393 176.000 -0.063 0.000 0.915 474 Q CA -0.270 55.467 55.803 -0.110 0.000 0.943 474 Q CB 0.749 29.387 28.738 -0.167 0.000 1.064 474 Q HN 0.457 nan 8.270 nan 0.000 0.511 475 I N 2.341 122.873 120.570 -0.064 0.000 2.648 475 I HA -0.073 4.096 4.170 -0.001 0.000 0.284 475 I C 0.828 176.939 176.117 -0.010 0.000 1.153 475 I CA 0.000 61.279 61.300 -0.036 0.000 1.426 475 I CB 0.711 38.682 38.000 -0.050 0.000 1.381 475 I HN 0.098 nan 8.210 nan 0.000 0.571 476 S N 4.999 120.703 115.700 0.007 0.000 2.617 476 S HA 0.409 4.879 4.470 -0.001 0.000 0.269 476 S C 1.006 175.631 174.600 0.043 0.000 1.292 476 S CA -0.277 57.934 58.200 0.019 0.000 1.010 476 S CB 1.774 64.990 63.200 0.026 0.000 0.944 476 S HN 0.717 nan 8.310 nan 0.000 0.536 477 A N 1.910 124.750 122.820 0.032 0.000 1.933 477 A HA 0.169 4.488 4.320 -0.001 0.000 0.218 477 A C 2.353 180.064 177.584 0.210 0.000 1.175 477 A CA 1.673 53.760 52.037 0.083 0.000 0.628 477 A CB -1.622 17.349 19.000 -0.049 0.000 0.814 477 A HN 1.332 nan 8.150 nan 0.000 0.444 478 A N -0.948 121.948 122.820 0.127 0.000 1.877 478 A HA -0.098 4.221 4.320 -0.001 0.000 0.216 478 A C 2.320 179.970 177.584 0.110 0.000 1.186 478 A CA 2.325 54.430 52.037 0.114 0.000 0.620 478 A CB -1.290 17.753 19.000 0.071 0.000 0.822 478 A HN 0.416 nan 8.150 nan 0.000 0.443 479 T N 0.220 114.832 114.554 0.096 0.000 2.746 479 T HA -0.008 4.342 4.350 -0.001 0.000 0.267 479 T C 2.208 176.987 174.700 0.131 0.000 1.039 479 T CA 1.598 63.755 62.100 0.094 0.000 1.142 479 T CB -0.431 68.475 68.868 0.062 0.000 0.866 479 T HN 0.591 nan 8.240 nan 0.000 0.444 480 A N 1.249 124.167 122.820 0.163 0.000 1.930 480 A HA 0.211 4.530 4.320 -0.001 0.000 0.217 480 A C 2.590 180.326 177.584 0.254 0.000 1.175 480 A CA 1.716 53.908 52.037 0.260 0.000 0.627 480 A CB -0.937 18.211 19.000 0.247 0.000 0.815 480 A HN 0.501 nan 8.150 nan 0.000 0.443 481 A N -0.174 122.741 122.820 0.159 0.000 1.929 481 A HA -0.131 4.189 4.320 -0.001 0.000 0.216 481 A C 1.786 179.429 177.584 0.099 0.000 1.176 481 A CA 1.928 53.965 52.037 0.000 0.000 0.628 481 A CB -0.654 18.259 19.000 -0.146 0.000 0.816 481 A HN 0.579 nan 8.150 nan 0.000 0.444 482 D N -0.466 119.995 120.400 0.102 0.000 2.084 482 D HA -0.178 4.462 4.640 -0.001 0.000 0.194 482 D C 1.910 178.270 176.300 0.099 0.000 0.990 482 D CA 1.727 55.787 54.000 0.100 0.000 0.826 482 D CB -0.089 40.771 40.800 0.101 0.000 0.971 482 D HN 0.607 nan 8.370 nan 0.000 0.453 483 E N -0.693 119.570 120.200 0.105 0.000 2.038 483 E HA -0.202 4.147 4.350 -0.001 0.000 0.195 483 E C 1.819 178.349 176.600 -0.117 0.000 1.000 483 E CA 1.055 57.490 56.400 0.058 0.000 0.803 483 E CB -0.324 29.466 29.700 0.150 0.000 0.750 483 E HN 0.499 nan 8.360 nan 0.000 0.448 484 W N 1.524 122.543 121.300 -0.469 0.000 2.358 484 W HA -0.145 4.514 4.660 -0.001 0.000 0.303 484 W C 1.806 178.171 176.519 -0.256 0.000 1.208 484 W CA 1.276 58.210 57.345 -0.685 0.000 1.274 484 W CB -0.248 28.772 29.460 -0.734 0.000 1.138 484 W HN -0.033 nan 8.180 nan 0.000 0.515 485 L N 0.227 121.450 121.223 0.000 0.000 2.046 485 L HA -0.202 4.138 4.340 -0.001 0.000 0.208 485 L C 2.697 179.585 176.870 0.030 0.000 1.077 485 L CA 1.608 56.488 54.840 0.067 0.000 0.747 485 L CB -0.804 41.421 42.059 0.277 0.000 0.896 485 L HN -0.074 nan 8.230 nan 0.000 0.432 486 R N -0.444 120.061 120.500 0.007 0.000 2.075 486 R HA -0.123 4.217 4.340 -0.001 0.000 0.232 486 R C 2.286 178.533 176.300 -0.089 0.000 1.126 486 R CA 1.473 57.575 56.100 0.004 0.000 0.963 486 R CB -0.288 30.038 30.300 0.044 0.000 0.858 486 R HN 0.315 nan 8.270 nan 0.000 0.435 487 M N -0.736 118.754 119.600 -0.183 0.000 2.254 487 M HA -0.071 4.409 4.480 -0.001 0.000 0.265 487 M C 1.687 177.772 176.300 -0.358 0.000 1.066 487 M CA 1.448 56.620 55.300 -0.212 0.000 1.123 487 M CB 0.130 32.625 32.600 -0.176 0.000 1.388 487 M HN 0.065 nan 8.290 nan 0.000 0.425 488 T N -1.058 113.129 114.554 -0.612 0.000 3.039 488 T HA 0.148 4.497 4.350 -0.001 0.000 0.250 488 T C 0.913 175.095 174.700 -0.863 0.000 1.052 488 T CA 0.792 62.337 62.100 -0.925 0.000 1.125 488 T CB 0.178 68.004 68.868 -1.737 0.000 0.908 488 T HN 0.149 nan 8.240 nan 0.000 0.473 489 F N 0.283 120.029 119.950 -0.340 0.000 2.347 489 F HA 0.528 5.055 4.527 -0.001 0.000 0.266 489 F C 0.809 176.407 175.800 -0.336 0.000 0.884 489 F CA -0.343 57.488 58.000 -0.283 0.000 1.123 489 F CB 0.439 39.321 39.000 -0.196 0.000 1.098 489 F HN -0.018 nan 8.300 nan 0.000 0.803 490 S N -0.861 114.792 115.700 -0.078 0.000 2.565 490 S HA 0.290 4.760 4.470 -0.001 0.000 0.274 490 S C -0.804 173.792 174.600 -0.007 0.000 1.144 490 S CA -0.664 57.442 58.200 -0.157 0.000 0.849 490 S CB 0.783 63.668 63.200 -0.526 0.000 1.103 490 S HN 0.165 nan 8.310 nan 0.000 0.455 491 N N 1.425 120.118 118.700 -0.012 0.000 2.230 491 N HA 0.081 4.821 4.740 -0.001 0.000 0.202 491 N C -0.554 174.959 175.510 0.006 0.000 1.119 491 N CA -0.021 53.042 53.050 0.021 0.000 0.851 491 N CB 0.339 38.839 38.487 0.021 0.000 0.990 491 N HN 0.545 nan 8.380 nan 0.000 0.497 492 Q N 1.123 120.903 119.800 -0.032 0.000 2.262 492 Q HA 0.091 4.430 4.340 -0.001 0.000 0.272 492 Q C -1.514 174.440 176.000 -0.076 0.000 1.076 492 Q CA -1.180 54.573 55.803 -0.084 0.000 0.905 492 Q CB 1.041 29.648 28.738 -0.218 0.000 1.182 492 Q HN 0.139 nan 8.270 nan 0.000 0.390 493 P HA -0.155 nan 4.420 nan 0.000 0.218 493 P C 0.822 178.073 177.300 -0.081 0.000 1.148 493 P CA 1.474 64.548 63.100 -0.044 0.000 0.822 493 P CB 0.251 31.933 31.700 -0.029 0.000 0.784 494 A N -1.697 121.046 122.820 -0.128 0.000 2.067 494 A HA -0.152 4.168 4.320 -0.001 0.000 0.219 494 A C 1.987 179.432 177.584 -0.232 0.000 1.158 494 A CA 1.064 53.018 52.037 -0.138 0.000 0.661 494 A CB -1.612 17.351 19.000 -0.061 0.000 0.801 494 A HN 0.204 nan 8.150 nan 0.000 0.452 495 F N 0.049 119.646 119.950 -0.587 0.000 2.220 495 F HA 0.084 4.610 4.527 -0.001 0.000 0.290 495 F C 1.825 177.509 175.800 -0.193 0.000 1.080 495 F CA 1.020 58.720 58.000 -0.500 0.000 1.318 495 F CB -0.137 38.447 39.000 -0.693 0.000 1.063 495 F HN 0.126 nan 8.300 nan 0.000 0.498 496 I N 0.545 121.046 120.570 -0.115 0.000 2.163 496 I HA -0.276 3.893 4.170 -0.001 0.000 0.243 496 I C 2.407 178.426 176.117 -0.164 0.000 1.085 496 I CA 1.820 63.046 61.300 -0.123 0.000 1.347 496 I CB -0.507 37.507 38.000 0.023 0.000 1.044 496 I HN 0.202 nan 8.210 nan 0.000 0.408 497 E N 1.355 121.488 120.200 -0.112 0.000 2.023 497 E HA -0.197 4.152 4.350 -0.001 0.000 0.196 497 E C -0.609 175.937 176.600 -0.090 0.000 1.003 497 E CA 1.996 58.351 56.400 -0.075 0.000 0.809 497 E CB -1.154 28.520 29.700 -0.044 0.000 0.755 497 E HN 0.283 nan 8.360 nan 0.000 0.449 498 P HA -0.094 nan 4.420 nan 0.000 0.217 498 P C 1.452 178.690 177.300 -0.103 0.000 1.151 498 P CA 1.033 64.083 63.100 -0.083 0.000 0.828 498 P CB 0.008 31.669 31.700 -0.065 0.000 0.788 499 V N 0.788 120.566 119.914 -0.228 0.000 2.548 499 V HA -0.179 3.941 4.120 -0.001 0.000 0.249 499 V C 2.763 178.822 176.094 -0.058 0.000 1.055 499 V CA 1.762 63.956 62.300 -0.177 0.000 1.065 499 V CB -1.147 30.374 31.823 -0.504 0.000 0.681 499 V HN 0.146 nan 8.190 nan 0.000 0.462 500 K N -0.245 120.107 120.400 -0.081 0.000 2.057 500 K HA -0.212 4.107 4.320 -0.001 0.000 0.207 500 K C 2.304 178.907 176.600 0.005 0.000 1.049 500 K CA 1.376 57.653 56.287 -0.016 0.000 0.931 500 K CB -0.077 32.417 32.500 -0.009 0.000 0.714 500 K HN 0.326 nan 8.250 nan 0.000 0.440 501 Q N 0.382 120.178 119.800 -0.007 0.000 2.119 501 Q HA -0.181 4.159 4.340 -0.001 0.000 0.201 501 Q C 2.036 178.042 176.000 0.009 0.000 0.972 501 Q CA 1.502 57.309 55.803 0.007 0.000 0.847 501 Q CB -0.298 28.440 28.738 0.001 0.000 0.903 501 Q HN 0.475 nan 8.270 nan 0.000 0.433 502 M N -0.289 119.311 119.600 -0.000 0.000 2.080 502 M HA -0.209 4.271 4.480 -0.001 0.000 0.260 502 M C 2.086 178.375 176.300 -0.019 0.000 1.068 502 M CA 1.480 56.774 55.300 -0.011 0.000 1.109 502 M CB -0.049 32.546 32.600 -0.009 0.000 1.342 502 M HN 0.199 nan 8.290 nan 0.000 0.405 503 M N 0.076 119.679 119.600 0.005 0.000 2.080 503 M HA -0.256 4.224 4.480 -0.001 0.000 0.260 503 M C 2.007 178.398 176.300 0.152 0.000 1.068 503 M CA 1.668 56.993 55.300 0.043 0.000 1.109 503 M CB -0.538 32.021 32.600 -0.068 0.000 1.342 503 M HN 0.327 nan 8.290 nan 0.000 0.405 504 L N -1.081 120.217 121.223 0.125 0.000 2.191 504 L HA -0.148 4.191 4.340 -0.001 0.000 0.212 504 L C 2.333 179.222 176.870 0.031 0.000 1.103 504 L CA 0.531 55.438 54.840 0.111 0.000 0.769 504 L CB -0.510 41.598 42.059 0.082 0.000 0.908 504 L HN 0.175 nan 8.230 nan 0.000 0.438 505 V N -0.796 119.127 119.914 0.014 0.000 3.235 505 V HA -0.131 3.989 4.120 -0.001 0.000 0.259 505 V C 2.505 178.585 176.094 -0.022 0.000 1.133 505 V CA 1.281 63.578 62.300 -0.007 0.000 1.128 505 V CB 0.273 32.096 31.823 -0.000 0.000 0.757 505 V HN 0.623 nan 8.190 nan 0.000 0.469 506 S N 0.634 116.318 115.700 -0.026 0.000 2.370 506 S HA -0.287 4.183 4.470 -0.001 0.000 0.226 506 S C 2.186 176.749 174.600 -0.062 0.000 1.033 506 S CA 1.525 59.700 58.200 -0.042 0.000 1.011 506 S CB -0.652 62.506 63.200 -0.070 0.000 0.852 506 S HN 0.577 nan 8.310 nan 0.000 0.457 507 R N 1.554 121.980 120.500 -0.123 0.000 2.073 507 R HA -0.078 4.262 4.340 -0.001 0.000 0.234 507 R C 2.253 178.536 176.300 -0.028 0.000 1.134 507 R CA 2.173 58.179 56.100 -0.156 0.000 0.952 507 R CB -0.915 29.208 30.300 -0.295 0.000 0.850 507 R HN 0.526 nan 8.270 nan 0.000 0.433 508 E N 0.196 120.359 120.200 -0.061 0.000 2.150 508 E HA -0.048 4.301 4.350 -0.001 0.000 0.193 508 E C 1.737 178.280 176.600 -0.095 0.000 0.985 508 E CA 1.460 57.822 56.400 -0.064 0.000 0.814 508 E CB -0.232 29.438 29.700 -0.050 0.000 0.752 508 E HN 0.420 nan 8.360 nan 0.000 0.466 509 A N -0.008 122.770 122.820 -0.070 0.000 1.902 509 A HA -0.084 4.236 4.320 -0.001 0.000 0.217 509 A C 2.436 179.827 177.584 -0.323 0.000 1.181 509 A CA 1.764 53.767 52.037 -0.057 0.000 0.623 509 A CB -1.231 17.808 19.000 0.065 0.000 0.818 509 A HN 0.394 nan 8.150 nan 0.000 0.443 510 G N -0.890 107.697 108.800 -0.355 0.000 2.443 510 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.219 510 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.219 510 G C 1.422 175.866 174.900 -0.760 0.000 1.131 510 G CA 1.124 45.784 45.100 -0.733 0.000 0.775 510 G HN 0.320 nan 8.290 nan 0.000 0.547 511 V N 1.130 120.798 119.914 -0.410 0.000 2.323 511 V HA -0.179 3.941 4.120 -0.001 0.000 0.244 511 V C 2.499 178.325 176.094 -0.447 0.000 1.041 511 V CA 2.031 64.104 62.300 -0.379 0.000 1.025 511 V CB -0.721 30.985 31.823 -0.195 0.000 0.656 511 V HN 0.419 nan 8.190 nan 0.000 0.451 512 N N -0.019 118.456 118.700 -0.375 0.000 2.084 512 N HA -0.214 4.526 4.740 -0.001 0.000 0.190 512 N C 1.823 177.117 175.510 -0.361 0.000 1.030 512 N CA 1.836 54.688 53.050 -0.331 0.000 0.849 512 N CB -0.285 38.097 38.487 -0.174 0.000 1.012 512 N HN 0.800 nan 8.380 nan 0.000 0.423 513 Y N -0.225 119.925 120.300 -0.251 0.000 2.546 513 Y HA 0.288 4.838 4.550 -0.001 0.000 0.287 513 Y C 1.684 177.543 175.900 -0.068 0.000 1.158 513 Y CA -0.032 58.008 58.100 -0.100 0.000 1.307 513 Y CB -0.068 38.340 38.460 -0.086 0.000 1.036 513 Y HN -0.082 nan 8.280 nan 0.000 0.532 514 R N 0.604 120.845 120.500 -0.431 0.000 2.119 514 R HA 0.268 4.607 4.340 -0.001 0.000 0.202 514 R C -0.152 176.075 176.300 -0.122 0.000 1.114 514 R CA 0.993 56.785 56.100 -0.513 0.000 1.089 514 R CB 0.278 29.863 30.300 -1.192 0.000 1.000 514 R HN 0.303 nan 8.270 nan 0.000 0.487 515 S N 0.735 116.223 115.700 -0.354 0.000 2.689 515 S HA 0.290 4.760 4.470 -0.001 0.000 0.151 515 S C -2.866 171.537 174.600 -0.328 0.000 1.155 515 S CA -1.268 56.784 58.200 -0.247 0.000 1.144 515 S CB 1.682 64.769 63.200 -0.188 0.000 1.526 515 S HN -0.076 nan 8.310 nan 0.000 0.419 516 P HA 0.533 nan 4.420 nan 0.000 0.279 516 P C 0.616 177.776 177.300 -0.234 0.000 1.276 516 P CA -0.522 62.381 63.100 -0.329 0.000 0.801 516 P CB 0.327 31.788 31.700 -0.398 0.000 1.127 517 L N -2.127 118.998 121.223 -0.163 0.000 4.232 517 L HA -0.296 4.044 4.340 -0.001 0.000 0.415 517 L C 1.151 177.932 176.870 -0.148 0.000 1.168 517 L CA 0.681 55.446 54.840 -0.124 0.000 0.966 517 L CB -2.681 39.309 42.059 -0.115 0.000 2.052 517 L HN 0.863 nan 8.230 nan 0.000 0.887 518 G N -1.297 107.398 108.800 -0.175 0.000 2.176 518 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.232 518 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.232 518 G C 0.280 174.784 174.900 -0.661 0.000 0.986 518 G CA 0.199 45.099 45.100 -0.332 0.000 0.643 518 G HN 0.266 nan 8.290 nan 0.000 0.522 519 L N 0.326 121.309 121.223 -0.399 0.000 2.476 519 L HA 0.632 4.972 4.340 -0.001 0.000 0.264 519 L C 0.910 177.528 176.870 -0.420 0.000 1.224 519 L CA 0.886 55.525 54.840 -0.336 0.000 0.821 519 L CB 1.149 43.123 42.059 -0.141 0.000 1.101 519 L HN 0.252 nan 8.230 nan 0.000 0.488 520 T N -0.860 113.499 114.554 -0.325 0.000 2.827 520 T HA 0.188 4.538 4.350 -0.001 0.000 0.328 520 T C -0.470 174.151 174.700 -0.132 0.000 1.598 520 T CA -0.439 61.462 62.100 -0.332 0.000 1.043 520 T CB 0.514 68.941 68.868 -0.734 0.000 1.447 520 T HN 0.790 nan 8.240 nan 0.000 0.491 521 H N 2.085 121.005 119.070 -0.250 0.000 2.756 521 H HA -0.101 4.455 4.556 -0.000 0.000 0.315 521 H C -0.014 175.315 175.328 0.002 0.000 1.210 521 H CA 0.960 56.895 56.048 -0.188 0.000 1.150 521 H CB -1.086 28.275 29.762 -0.668 0.000 1.463 521 H HN 0.481 nan 8.280 nan 0.000 0.427 522 L N 0.668 121.858 121.223 -0.055 0.000 2.685 522 L HA 0.137 4.476 4.340 -0.001 0.000 0.233 522 L C 0.499 177.215 176.870 -0.257 0.000 1.173 522 L CA -0.051 54.740 54.840 -0.081 0.000 0.961 522 L CB -0.133 41.936 42.059 0.017 0.000 1.217 522 L HN 0.116 nan 8.230 nan 0.000 0.478 523 Y N 0.007 120.255 120.300 -0.088 0.000 2.304 523 Y HA 0.095 4.645 4.550 -0.001 0.000 0.327 523 Y C 1.331 177.157 175.900 -0.124 0.000 1.209 523 Y CA -0.027 58.040 58.100 -0.055 0.000 1.299 523 Y CB 0.874 39.351 38.460 0.028 0.000 1.249 523 Y HN -0.102 nan 8.280 nan 0.000 0.519 524 S N 3.096 118.798 115.700 0.003 0.000 2.575 524 S HA -0.017 4.453 4.470 -0.001 0.000 0.295 524 S C -0.419 174.272 174.600 0.152 0.000 1.267 524 S CA -0.612 57.596 58.200 0.013 0.000 1.074 524 S CB -0.046 63.150 63.200 -0.008 0.000 0.829 524 S HN 0.469 nan 8.310 nan 0.000 0.497 525 Q N 3.055 122.923 119.800 0.112 0.000 2.274 525 Q HA 0.450 4.790 4.340 -0.001 0.000 0.260 525 Q C 0.433 176.463 176.000 0.050 0.000 0.974 525 Q CA -0.344 55.527 55.803 0.114 0.000 0.876 525 Q CB 1.815 30.674 28.738 0.203 0.000 1.297 525 Q HN 0.851 nan 8.270 nan 0.000 0.446 526 G N 1.649 110.424 108.800 -0.042 0.000 4.433 526 G HA2 0.067 4.026 3.960 -0.001 0.000 0.304 526 G HA3 0.067 4.026 3.960 -0.001 0.000 0.304 526 G C 0.424 174.702 174.900 -1.036 0.000 1.254 526 G CA -0.363 44.559 45.100 -0.298 0.000 0.999 526 G HN 0.603 nan 8.290 nan 0.000 0.576 527 D N -0.324 119.522 120.400 -0.923 0.000 2.201 527 D HA -0.067 4.573 4.640 -0.001 0.000 0.209 527 D C 0.773 176.987 176.300 -0.144 0.000 0.961 527 D CA 0.534 54.024 54.000 -0.850 0.000 0.861 527 D CB -0.037 40.540 40.800 -0.372 0.000 0.997 527 D HN 0.232 nan 8.370 nan 0.000 0.486 528 H N -2.316 116.805 119.070 0.086 0.000 3.433 528 H HA -0.179 4.377 4.556 -0.000 0.000 0.186 528 H C 0.534 176.011 175.328 0.248 0.000 1.011 528 H CA 0.509 56.647 56.048 0.149 0.000 1.190 528 H CB -2.394 27.324 29.762 -0.073 0.000 1.057 528 H HN 0.289 nan 8.280 nan 0.000 0.349 529 Y N 1.085 121.394 120.300 0.015 0.000 2.153 529 Y HA 0.315 4.865 4.550 0.001 0.000 0.289 529 Y C 1.765 177.644 175.900 -0.035 0.000 1.127 529 Y CA 1.812 59.595 58.100 -0.529 0.000 1.131 529 Y CB 0.051 38.068 38.460 -0.739 0.000 0.995 529 Y HN 0.295 nan 8.280 nan 0.000 0.505 530 G N -0.392 108.325 108.800 -0.139 0.000 2.667 530 G HA2 0.474 4.433 3.960 -0.001 0.000 0.310 530 G HA3 0.474 4.433 3.960 -0.001 0.000 0.310 530 G C -2.876 171.429 174.900 -0.991 0.000 1.259 530 G CA -1.800 42.978 45.100 -0.536 0.000 1.019 530 G HN -0.052 nan 8.290 nan 0.000 0.496 531 P HA 0.384 nan 4.420 nan 0.000 0.275 531 P C -0.625 176.048 177.300 -1.044 0.000 1.227 531 P CA -0.010 62.014 63.100 -1.795 0.000 0.781 531 P CB 1.751 32.567 31.700 -1.474 0.000 0.906 532 A N 4.413 126.589 122.820 -1.074 0.000 3.464 532 A HA 0.337 4.657 4.320 -0.001 0.000 0.243 532 A C -1.853 174.867 177.584 -1.440 0.000 1.100 532 A CA -0.663 50.453 52.037 -1.535 0.000 0.957 532 A CB 0.347 18.884 19.000 -0.771 0.000 1.340 532 A HN 0.286 nan 8.150 nan 0.000 0.645 533 P HA -0.135 nan 4.420 nan 0.000 0.225 533 P C 1.059 177.787 177.300 -0.953 0.000 1.148 533 P CA 1.062 63.647 63.100 -0.858 0.000 0.779 533 P CB -0.316 30.887 31.700 -0.829 0.000 0.780 534 W N -0.171 120.568 121.300 -0.934 0.000 2.800 534 W HA 0.169 4.829 4.660 -0.001 0.000 0.249 534 W C 0.102 176.539 176.519 -0.136 0.000 1.294 534 W CA -0.106 56.849 57.345 -0.651 0.000 1.402 534 W CB -2.255 26.958 29.460 -0.413 0.000 1.126 534 W HN -0.301 nan 8.180 nan 0.000 0.652 535 T N 3.036 117.506 114.554 -0.140 0.000 2.822 535 T HA 0.024 4.373 4.350 -0.001 0.000 0.288 535 T C -0.309 174.494 174.700 0.172 0.000 0.991 535 T CA 0.811 62.961 62.100 0.084 0.000 1.176 535 T CB 0.129 69.003 68.868 0.011 0.000 0.951 535 T HN 0.131 nan 8.240 nan 0.000 0.526 536 D N 0.814 121.336 120.400 0.204 0.000 2.812 536 D HA 0.243 4.883 4.640 -0.001 0.000 0.318 536 D C -0.942 175.460 176.300 0.170 0.000 1.234 536 D CA -0.481 53.632 54.000 0.188 0.000 0.989 536 D CB 1.320 42.228 40.800 0.181 0.000 1.442 536 D HN 0.415 nan 8.370 nan 0.000 0.537 537 D N 0.235 120.722 120.400 0.144 0.000 2.746 537 D HA -0.171 4.469 4.640 -0.001 0.000 0.241 537 D C -0.394 175.981 176.300 0.124 0.000 1.140 537 D CA 0.653 54.724 54.000 0.117 0.000 0.707 537 D CB -1.091 39.773 40.800 0.107 0.000 1.034 537 D HN 0.244 nan 8.370 nan 0.000 0.423 538 L N -0.298 121.008 121.223 0.138 0.000 2.332 538 L HA 0.303 4.643 4.340 -0.001 0.000 0.269 538 L C -0.847 176.064 176.870 0.068 0.000 1.016 538 L CA -2.056 52.869 54.840 0.142 0.000 0.809 538 L CB 0.971 43.174 42.059 0.240 0.000 1.280 538 L HN -0.237 nan 8.230 nan 0.000 0.447 539 P HA -0.155 nan 4.420 nan 0.000 0.218 539 P C -0.587 176.646 177.300 -0.112 0.000 1.152 539 P CA 1.479 64.553 63.100 -0.044 0.000 0.857 539 P CB 0.058 31.714 31.700 -0.073 0.000 0.787 540 R N -2.283 118.112 120.500 -0.174 0.000 2.686 540 R HA 0.734 5.073 4.340 -0.001 0.000 0.283 540 R C 0.533 176.782 176.300 -0.085 0.000 0.978 540 R CA -0.537 55.447 56.100 -0.193 0.000 0.897 540 R CB 1.195 31.255 30.300 -0.401 0.000 1.192 540 R HN -0.246 nan 8.270 nan 0.000 0.457 541 A N 1.483 124.273 122.820 -0.050 0.000 2.015 541 A HA -0.166 4.154 4.320 -0.001 0.000 0.219 541 A C 1.167 178.619 177.584 -0.219 0.000 1.163 541 A CA 1.536 53.587 52.037 0.023 0.000 0.646 541 A CB -0.518 18.581 19.000 0.165 0.000 0.806 541 A HN 0.883 nan 8.150 nan 0.000 0.448 542 D N -2.597 117.506 120.400 -0.495 0.000 2.363 542 D HA -0.100 4.539 4.640 -0.001 0.000 0.226 542 D C 0.790 177.123 176.300 0.054 0.000 1.020 542 D CA 0.084 53.533 54.000 -0.918 0.000 0.892 542 D CB -0.351 40.094 40.800 -0.592 0.000 0.900 542 D HN 0.550 nan 8.370 nan 0.000 0.531 543 W N 1.468 122.755 121.300 -0.023 0.000 3.220 543 W HA 0.232 4.892 4.660 -0.001 0.000 0.328 543 W C 0.686 177.451 176.519 0.409 0.000 1.205 543 W CA -0.350 57.149 57.345 0.257 0.000 1.773 543 W CB -0.243 29.358 29.460 0.236 0.000 1.086 543 W HN -0.067 nan 8.180 nan 0.000 0.622 544 T N -3.200 111.642 114.554 0.480 0.000 2.849 544 T HA 0.660 5.009 4.350 -0.001 0.000 0.276 544 T C 1.199 176.228 174.700 0.549 0.000 0.971 544 T CA 0.060 62.416 62.100 0.425 0.000 0.949 544 T CB 1.973 71.012 68.868 0.285 0.000 1.093 544 T HN -0.110 nan 8.240 nan 0.000 0.545 545 A N 0.241 123.297 122.820 0.393 0.000 1.956 545 A HA 0.228 4.548 4.320 -0.001 0.000 0.212 545 A C 2.434 180.118 177.584 0.167 0.000 1.188 545 A CA 0.991 53.264 52.037 0.392 0.000 0.675 545 A CB -1.117 18.001 19.000 0.197 0.000 0.845 545 A HN 1.267 nan 8.150 nan 0.000 0.455 546 V N -2.531 117.385 119.914 0.004 0.000 2.594 546 V HA -0.276 3.844 4.120 -0.001 0.000 0.253 546 V C 2.242 178.232 176.094 -0.174 0.000 1.069 546 V CA 2.164 64.266 62.300 -0.330 0.000 1.082 546 V CB -1.480 30.364 31.823 0.036 0.000 0.680 546 V HN 0.545 nan 8.190 nan 0.000 0.469 547 Y N 0.931 121.163 120.300 -0.114 0.000 2.207 547 Y HA -0.222 4.328 4.550 -0.000 0.000 0.287 547 Y C 2.198 177.985 175.900 -0.188 0.000 1.156 547 Y CA 2.145 60.135 58.100 -0.185 0.000 1.182 547 Y CB -0.349 37.929 38.460 -0.303 0.000 0.979 547 Y HN 0.343 nan 8.280 nan 0.000 0.521 548 Y N -1.276 119.189 120.300 0.273 0.000 2.301 548 Y HA -0.042 4.507 4.550 -0.001 0.000 0.295 548 Y C 2.552 178.580 175.900 0.214 0.000 1.119 548 Y CA 1.523 59.775 58.100 0.253 0.000 1.162 548 Y CB -0.665 37.882 38.460 0.145 0.000 1.046 548 Y HN 0.404 nan 8.280 nan 0.000 0.538 549 H N -1.507 117.781 119.070 0.364 0.000 2.465 549 H HA 0.223 4.779 4.556 -0.001 0.000 0.289 549 H C 0.638 176.091 175.328 0.208 0.000 1.022 549 H CA 0.315 56.518 56.048 0.258 0.000 1.340 549 H CB -0.390 29.599 29.762 0.379 0.000 1.437 549 H HN -0.066 nan 8.280 nan 0.000 0.539 550 R N 0.208 120.818 120.500 0.184 0.000 3.502 550 R HA -0.161 4.179 4.340 -0.001 0.000 0.266 550 R C -0.274 176.241 176.300 0.358 0.000 1.077 550 R CA 0.242 56.440 56.100 0.164 0.000 0.718 550 R CB -2.026 28.256 30.300 -0.029 0.000 1.120 550 R HN 0.625 nan 8.270 nan 0.000 0.457 551 A N 1.198 124.419 122.820 0.668 0.000 2.498 551 A HA 0.442 4.762 4.320 -0.001 0.000 0.239 551 A C 0.837 178.661 177.584 0.400 0.000 1.068 551 A CA 0.651 52.994 52.037 0.510 0.000 0.766 551 A CB 0.519 19.893 19.000 0.623 0.000 1.003 551 A HN 0.553 nan 8.150 nan 0.000 0.497 552 S N 0.936 116.854 115.700 0.363 0.000 2.776 552 S HA 0.456 4.926 4.470 -0.001 0.000 0.292 552 S C 0.613 175.437 174.600 0.373 0.000 1.187 552 S CA -0.242 58.134 58.200 0.294 0.000 0.834 552 S CB 1.072 64.400 63.200 0.214 0.000 1.199 552 S HN 0.639 nan 8.310 nan 0.000 0.514 553 K N 0.098 120.638 120.400 0.235 0.000 2.209 553 K HA -0.079 4.240 4.320 -0.001 0.000 0.204 553 K C 1.792 178.579 176.600 0.312 0.000 1.048 553 K CA 2.002 58.408 56.287 0.198 0.000 0.940 553 K CB -0.577 31.971 32.500 0.081 0.000 0.729 553 K HN 0.809 nan 8.250 nan 0.000 0.451 554 T N -3.493 111.222 114.554 0.268 0.000 3.037 554 T HA 0.259 4.609 4.350 -0.001 0.000 0.252 554 T C 0.797 175.551 174.700 0.090 0.000 1.073 554 T CA 0.211 62.444 62.100 0.221 0.000 1.091 554 T CB 0.848 69.798 68.868 0.136 0.000 0.935 554 T HN 0.222 nan 8.240 nan 0.000 0.488 555 G N 0.171 108.893 108.800 -0.130 0.000 2.490 555 G HA2 0.610 4.570 3.960 -0.001 0.000 0.308 555 G HA3 0.610 4.570 3.960 -0.001 0.000 0.308 555 G C -2.247 172.092 174.900 -0.935 0.000 1.286 555 G CA -0.633 43.961 45.100 -0.843 0.000 0.825 555 G HN 0.447 nan 8.290 nan 0.000 0.479 556 I N -1.080 118.765 120.570 -1.209 0.000 3.004 556 I HA 0.695 4.864 4.170 -0.001 0.000 0.305 556 I C -0.025 175.747 176.117 -0.575 0.000 1.312 556 I CA 0.613 61.483 61.300 -0.717 0.000 0.992 556 I CB 2.222 39.705 38.000 -0.863 0.000 1.282 556 I HN 2.160 nan 8.210 nan 0.000 0.449 557 G N 3.391 112.109 108.800 -0.138 0.000 2.497 557 G HA2 0.047 4.007 3.960 -0.001 0.000 0.686 557 G HA3 0.047 4.007 3.960 -0.001 0.000 0.686 557 G C -1.995 173.007 174.900 0.170 0.000 1.288 557 G CA -0.662 44.426 45.100 -0.020 0.000 0.899 557 G HN 0.659 nan 8.290 nan 0.000 0.608 558 F N 1.414 121.353 119.950 -0.018 0.000 2.449 558 F HA 0.650 5.177 4.527 -0.001 0.000 0.342 558 F C 0.100 175.875 175.800 -0.041 0.000 1.127 558 F CA -1.517 56.462 58.000 -0.035 0.000 0.975 558 F CB 1.851 40.812 39.000 -0.064 0.000 1.146 558 F HN 0.515 nan 8.300 nan 0.000 0.444 559 N N 5.082 123.832 118.700 0.084 0.000 2.402 559 N HA 0.200 4.940 4.740 -0.001 0.000 0.252 559 N C 0.061 175.669 175.510 0.162 0.000 1.118 559 N CA 0.198 53.287 53.050 0.065 0.000 0.945 559 N CB 0.332 38.793 38.487 -0.044 0.000 1.147 559 N HN 0.704 nan 8.380 nan 0.000 0.495 560 R N 1.119 121.694 120.500 0.125 0.000 2.577 560 R HA 0.096 4.435 4.340 -0.001 0.000 0.344 560 R C 0.390 176.689 176.300 -0.002 0.000 1.037 560 R CA -0.172 55.978 56.100 0.084 0.000 1.102 560 R CB 0.265 30.586 30.300 0.035 0.000 1.313 560 R HN 0.623 nan 8.270 nan 0.000 0.561 561 T N -2.111 112.420 114.554 -0.038 0.000 2.771 561 T HA 0.170 4.519 4.350 -0.001 0.000 0.290 561 T C 1.194 175.887 174.700 -0.012 0.000 1.005 561 T CA -0.559 61.514 62.100 -0.046 0.000 0.944 561 T CB 1.217 70.059 68.868 -0.043 0.000 1.147 561 T HN -0.084 nan 8.240 nan 0.000 0.534 562 K N 0.107 120.503 120.400 -0.006 0.000 2.281 562 K HA -0.086 4.234 4.320 -0.001 0.000 0.203 562 K C 2.221 178.822 176.600 0.001 0.000 1.046 562 K CA 1.740 58.027 56.287 0.001 0.000 0.938 562 K CB -0.491 32.011 32.500 0.004 0.000 0.737 562 K HN 0.851 nan 8.250 nan 0.000 0.458 563 T N -3.054 111.500 114.554 0.000 0.000 3.107 563 T HA 0.151 4.500 4.350 -0.001 0.000 0.249 563 T C 1.090 175.778 174.700 -0.020 0.000 1.096 563 T CA 0.137 62.233 62.100 -0.006 0.000 1.012 563 T CB 0.557 69.424 68.868 -0.001 0.000 0.977 563 T HN 0.187 nan 8.240 nan 0.000 0.527 564 G N 1.596 110.388 108.800 -0.014 0.000 3.414 564 G HA2 0.368 4.327 3.960 -0.001 0.000 0.189 564 G HA3 0.368 4.327 3.960 -0.001 0.000 0.189 564 G C 1.183 176.089 174.900 0.010 0.000 1.329 564 G CA 0.204 45.292 45.100 -0.021 0.000 0.851 564 G HN 0.339 nan 8.290 nan 0.000 0.671 565 S N -0.353 115.385 115.700 0.063 0.000 2.522 565 S HA -0.028 4.442 4.470 -0.001 0.000 0.227 565 S C 1.256 175.892 174.600 0.059 0.000 0.986 565 S CA 1.094 59.348 58.200 0.089 0.000 0.929 565 S CB -0.277 63.038 63.200 0.192 0.000 0.769 565 S HN 0.713 nan 8.310 nan 0.000 0.529 566 N N 0.827 119.548 118.700 0.036 0.000 2.721 566 N HA -0.220 4.519 4.740 -0.001 0.000 0.249 566 N C 0.681 176.200 175.510 0.015 0.000 1.072 566 N CA 0.761 53.821 53.050 0.017 0.000 0.710 566 N CB -1.579 36.916 38.487 0.014 0.000 0.993 566 N HN 0.646 nan 8.380 nan 0.000 0.547 567 A N -0.336 122.495 122.820 0.019 0.000 2.015 567 A HA -0.009 4.310 4.320 -0.001 0.000 0.219 567 A C 2.256 179.872 177.584 0.055 0.000 1.163 567 A CA 1.151 53.211 52.037 0.039 0.000 0.646 567 A CB -0.254 18.753 19.000 0.012 0.000 0.806 567 A HN 0.451 nan 8.150 nan 0.000 0.448 568 L N -0.859 120.384 121.223 0.034 0.000 2.187 568 L HA -0.215 4.124 4.340 -0.001 0.000 0.213 568 L C 2.837 179.744 176.870 0.060 0.000 1.100 568 L CA 0.937 55.822 54.840 0.074 0.000 0.765 568 L CB -0.437 41.569 42.059 -0.088 0.000 0.904 568 L HN 0.465 nan 8.230 nan 0.000 0.437 569 A N -0.899 121.915 122.820 -0.010 0.000 2.209 569 A HA -0.147 4.172 4.320 -0.001 0.000 0.212 569 A C 2.042 179.565 177.584 -0.102 0.000 1.158 569 A CA 0.766 52.785 52.037 -0.029 0.000 0.742 569 A CB -0.254 18.738 19.000 -0.012 0.000 0.790 569 A HN 0.494 nan 8.150 nan 0.000 0.472 570 Q N -1.586 118.054 119.800 -0.267 0.000 2.432 570 Q HA 0.033 4.373 4.340 -0.001 0.000 0.205 570 Q C -0.531 175.052 176.000 -0.696 0.000 0.945 570 Q CA 0.286 55.636 55.803 -0.755 0.000 0.924 570 Q CB 0.079 28.109 28.738 -1.181 0.000 1.016 570 Q HN 0.770 nan 8.270 nan 0.000 0.503 571 Y N 0.717 120.869 120.300 -0.247 0.000 2.354 571 Y HA 0.243 4.793 4.550 -0.001 0.000 0.322 571 Y C -1.871 173.984 175.900 -0.075 0.000 1.253 571 Y CA -2.959 55.041 58.100 -0.167 0.000 1.272 571 Y CB 0.149 38.433 38.460 -0.293 0.000 1.255 571 Y HN -0.036 nan 8.280 nan 0.000 0.500 572 P HA -0.080 nan 4.420 nan 0.000 0.267 572 P C 0.789 178.100 177.300 0.019 0.000 1.200 572 P CA 0.138 63.313 63.100 0.125 0.000 0.772 572 P CB 0.742 32.551 31.700 0.181 0.000 0.855 573 E N 4.133 124.331 120.200 -0.003 0.000 2.065 573 E HA -0.214 4.135 4.350 -0.001 0.000 0.201 573 E C -0.954 175.569 176.600 -0.127 0.000 1.016 573 E CA 2.398 58.767 56.400 -0.051 0.000 0.818 573 E CB -1.737 27.942 29.700 -0.036 0.000 0.749 573 E HN 0.333 nan 8.360 nan 0.000 0.453 574 P HA -0.121 nan 4.420 nan 0.000 0.216 574 P C 1.698 178.777 177.300 -0.368 0.000 1.150 574 P CA 0.964 63.864 63.100 -0.333 0.000 0.837 574 P CB -0.112 31.199 31.700 -0.648 0.000 0.786 575 I N -0.333 120.021 120.570 -0.360 0.000 2.233 575 I HA -0.146 4.024 4.170 -0.001 0.000 0.243 575 I C 2.287 177.974 176.117 -0.717 0.000 1.093 575 I CA 1.446 62.342 61.300 -0.673 0.000 1.380 575 I CB -1.752 35.835 38.000 -0.687 0.000 1.067 575 I HN -0.089 nan 8.210 nan 0.000 0.413 576 A N 0.877 123.466 122.820 -0.385 0.000 1.883 576 A HA -0.279 4.041 4.320 -0.001 0.000 0.217 576 A C 2.458 179.946 177.584 -0.161 0.000 1.186 576 A CA 2.116 54.010 52.037 -0.239 0.000 0.624 576 A CB -0.639 18.297 19.000 -0.107 0.000 0.822 576 A HN 0.377 nan 8.150 nan 0.000 0.444 577 K N -0.458 119.854 120.400 -0.146 0.000 1.978 577 K HA -0.156 4.164 4.320 -0.001 0.000 0.214 577 K C 2.239 178.814 176.600 -0.041 0.000 1.049 577 K CA 1.506 57.745 56.287 -0.081 0.000 0.939 577 K CB -0.420 32.023 32.500 -0.094 0.000 0.721 577 K HN 0.359 nan 8.250 nan 0.000 0.441 578 A N 0.497 123.262 122.820 -0.092 0.000 1.908 578 A HA -0.182 4.138 4.320 -0.001 0.000 0.218 578 A C 1.774 179.498 177.584 0.233 0.000 1.181 578 A CA 1.630 53.684 52.037 0.028 0.000 0.627 578 A CB -0.952 18.032 19.000 -0.027 0.000 0.818 578 A HN 0.588 nan 8.150 nan 0.000 0.445 579 W N -0.556 120.692 121.300 -0.088 0.000 2.678 579 W HA 0.199 4.859 4.660 -0.001 0.000 0.256 579 W C 2.272 178.811 176.519 0.033 0.000 1.280 579 W CA 0.219 57.506 57.345 -0.096 0.000 1.345 579 W CB -1.060 28.099 29.460 -0.500 0.000 1.118 579 W HN 0.391 nan 8.180 nan 0.000 0.629 580 G N -1.168 107.753 108.800 0.202 0.000 2.744 580 G HA2 -0.080 3.880 3.960 -0.001 0.000 0.211 580 G HA3 -0.080 3.880 3.960 -0.001 0.000 0.211 580 G C 0.004 175.061 174.900 0.263 0.000 1.146 580 G CA 0.061 45.276 45.100 0.192 0.000 0.787 580 G HN -0.056 nan 8.290 nan 0.000 0.534 581 D N 0.410 120.917 120.400 0.179 0.000 2.232 581 D HA 0.239 4.879 4.640 -0.001 0.000 0.242 581 D C 1.517 177.852 176.300 0.058 0.000 1.093 581 D CA -0.498 53.567 54.000 0.108 0.000 0.845 581 D CB 1.557 42.400 40.800 0.071 0.000 1.124 581 D HN -0.055 nan 8.370 nan 0.000 0.467 582 L N 3.549 124.752 121.223 -0.034 0.000 2.353 582 L HA -0.141 4.198 4.340 -0.001 0.000 0.220 582 L C 1.737 178.601 176.870 -0.010 0.000 1.133 582 L CA 0.491 55.253 54.840 -0.130 0.000 0.798 582 L CB -0.227 41.745 42.059 -0.145 0.000 0.922 582 L HN 0.389 nan 8.230 nan 0.000 0.445 583 N N -0.546 118.169 118.700 0.025 0.000 2.354 583 N HA -0.124 4.615 4.740 -0.001 0.000 0.179 583 N C 1.726 177.269 175.510 0.055 0.000 1.021 583 N CA 1.287 54.361 53.050 0.040 0.000 0.887 583 N CB 0.254 38.762 38.487 0.036 0.000 0.974 583 N HN 0.290 nan 8.380 nan 0.000 0.437 584 S N -1.915 113.830 115.700 0.076 0.000 2.559 584 S HA 0.195 4.664 4.470 -0.001 0.000 0.226 584 S C 0.405 175.103 174.600 0.163 0.000 1.030 584 S CA -0.517 57.746 58.200 0.106 0.000 0.956 584 S CB -0.118 63.141 63.200 0.098 0.000 0.900 584 S HN -0.002 nan 8.310 nan 0.000 0.510 585 V N 4.717 124.733 119.914 0.170 0.000 2.585 585 V HA 0.329 4.449 4.120 -0.001 0.000 0.296 585 V C -2.581 173.593 176.094 0.133 0.000 1.035 585 V CA -1.876 60.557 62.300 0.222 0.000 1.084 585 V CB 0.448 32.422 31.823 0.251 0.000 0.953 585 V HN 0.187 nan 8.190 nan 0.000 0.483 586 P HA 0.141 nan 4.420 nan 0.000 0.268 586 P C 0.520 177.840 177.300 0.033 0.000 1.204 586 P CA 0.129 63.268 63.100 0.065 0.000 0.768 586 P CB 0.473 32.203 31.700 0.049 0.000 0.842 587 E N 1.745 121.965 120.200 0.033 0.000 2.150 587 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 587 E C 1.060 177.659 176.600 -0.002 0.000 0.985 587 E CA 1.241 57.653 56.400 0.020 0.000 0.814 587 E CB -0.160 29.554 29.700 0.024 0.000 0.752 587 E HN 0.633 nan 8.360 nan 0.000 0.466 588 D N 0.325 120.724 120.400 -0.002 0.000 2.378 588 D HA -0.153 4.487 4.640 -0.001 0.000 0.222 588 D C 1.405 177.706 176.300 0.001 0.000 0.980 588 D CA 0.792 54.786 54.000 -0.010 0.000 0.907 588 D CB -0.101 40.697 40.800 -0.003 0.000 0.899 588 D HN 0.255 nan 8.370 nan 0.000 0.527 589 L N -0.701 120.513 121.223 -0.016 0.000 3.086 589 L HA 0.335 4.674 4.340 -0.001 0.000 0.274 589 L C 2.006 178.841 176.870 -0.059 0.000 1.184 589 L CA -0.293 54.541 54.840 -0.009 0.000 1.002 589 L CB 0.307 42.228 42.059 -0.230 0.000 1.383 589 L HN -0.073 nan 8.230 nan 0.000 0.582 590 I N 0.920 121.482 120.570 -0.014 0.000 2.151 590 I HA -0.333 3.836 4.170 -0.001 0.000 0.243 590 I C 2.069 178.204 176.117 0.030 0.000 1.080 590 I CA 1.817 63.154 61.300 0.061 0.000 1.339 590 I CB 0.186 38.195 38.000 0.015 0.000 1.039 590 I HN 0.255 nan 8.210 nan 0.000 0.409 591 L N -1.029 120.131 121.223 -0.105 0.000 2.551 591 L HA -0.158 4.182 4.340 -0.001 0.000 0.228 591 L C 1.904 178.642 176.870 -0.220 0.000 1.153 591 L CA 0.606 55.352 54.840 -0.156 0.000 0.851 591 L CB -0.571 41.359 42.059 -0.215 0.000 0.959 591 L HN 0.431 nan 8.230 nan 0.000 0.451 592 W N -0.622 120.409 121.300 -0.449 0.000 2.436 592 W HA -0.123 4.536 4.660 -0.001 0.000 0.284 592 W C 1.675 177.757 176.519 -0.728 0.000 1.225 592 W CA 0.617 57.534 57.345 -0.713 0.000 1.271 592 W CB 0.075 28.753 29.460 -1.302 0.000 1.114 592 W HN 0.068 nan 8.180 nan 0.000 0.559 593 F N -3.621 116.359 119.950 0.050 0.000 2.746 593 F HA 0.228 4.755 4.527 -0.000 0.000 0.313 593 F C 0.346 175.890 175.800 -0.427 0.000 1.095 593 F CA -0.175 57.700 58.000 -0.208 0.000 1.224 593 F CB -0.427 38.395 39.000 -0.296 0.000 1.060 593 F HN -0.268 nan 8.300 nan 0.000 0.584 594 H N -0.591 118.557 119.070 0.129 0.000 2.771 594 H HA 0.219 4.775 4.556 -0.001 0.000 0.361 594 H C -1.043 174.281 175.328 -0.007 0.000 1.108 594 H CA -0.519 55.562 56.048 0.054 0.000 1.201 594 H CB 1.879 31.630 29.762 -0.017 0.000 1.681 594 H HN -0.012 nan 8.280 nan 0.000 0.534 595 H N 4.432 123.512 119.070 0.016 0.000 2.640 595 H HA 0.313 4.868 4.556 -0.001 0.000 0.297 595 H C -0.994 174.267 175.328 -0.111 0.000 1.073 595 H CA -0.341 55.657 56.048 -0.084 0.000 1.305 595 H CB 0.276 29.968 29.762 -0.117 0.000 1.404 595 H HN 0.437 nan 8.280 nan 0.000 0.459 596 L N 3.628 124.545 121.223 -0.510 0.000 2.342 596 L HA 0.214 4.554 4.340 -0.001 0.000 0.271 596 L C 0.683 177.252 176.870 -0.501 0.000 1.008 596 L CA -0.982 53.611 54.840 -0.411 0.000 0.818 596 L CB 1.971 43.786 42.059 -0.408 0.000 1.296 596 L HN 0.557 nan 8.230 nan 0.000 0.427 597 S N 0.558 116.105 115.700 -0.255 0.000 2.572 597 S HA 0.026 4.495 4.470 -0.001 0.000 0.279 597 S C 0.679 175.222 174.600 -0.096 0.000 1.341 597 S CA -0.097 58.005 58.200 -0.163 0.000 1.043 597 S CB 0.361 63.563 63.200 0.003 0.000 0.887 597 S HN 0.587 nan 8.310 nan 0.000 0.516 598 W N 1.034 122.339 121.300 0.008 0.000 2.387 598 W HA -0.019 4.641 4.660 -0.001 0.000 0.272 598 W C 1.502 178.077 176.519 0.093 0.000 1.224 598 W CA 0.381 57.762 57.345 0.059 0.000 1.210 598 W CB -0.068 29.415 29.460 0.038 0.000 1.125 598 W HN 0.681 nan 8.180 nan 0.000 0.572 599 D N -1.498 119.066 120.400 0.273 0.000 2.349 599 D HA -0.061 4.579 4.640 -0.001 0.000 0.224 599 D C 0.187 176.574 176.300 0.144 0.000 1.029 599 D CA 0.559 54.669 54.000 0.183 0.000 0.879 599 D CB -0.556 40.321 40.800 0.129 0.000 0.906 599 D HN 0.157 nan 8.370 nan 0.000 0.528 600 H N 1.648 120.749 119.070 0.052 0.000 3.034 600 H HA 0.023 4.579 4.556 -0.001 0.000 0.324 600 H C 0.139 175.483 175.328 0.026 0.000 1.015 600 H CA 0.324 56.379 56.048 0.012 0.000 1.429 600 H CB 0.377 30.118 29.762 -0.035 0.000 1.429 600 H HN -0.206 nan 8.280 nan 0.000 0.585 601 R N 5.418 125.613 120.500 -0.508 0.000 2.297 601 R HA 0.225 4.565 4.340 -0.001 0.000 0.308 601 R C -0.057 175.941 176.300 -0.503 0.000 1.029 601 R CA -0.801 55.082 56.100 -0.362 0.000 0.929 601 R CB 1.028 31.209 30.300 -0.199 0.000 1.046 601 R HN 0.605 nan 8.270 nan 0.000 0.461 602 M N 1.770 121.231 119.600 -0.231 0.000 2.369 602 M HA 0.141 4.621 4.480 -0.001 0.000 0.291 602 M C 1.608 177.851 176.300 -0.094 0.000 1.178 602 M CA -0.221 55.002 55.300 -0.128 0.000 0.996 602 M CB 0.715 33.294 32.600 -0.036 0.000 1.472 602 M HN 0.521 nan 8.290 nan 0.000 0.496 603 Q N 0.428 120.198 119.800 -0.049 0.000 2.152 603 Q HA -0.160 4.180 4.340 -0.001 0.000 0.206 603 Q C 1.788 177.762 176.000 -0.043 0.000 0.985 603 Q CA 2.147 57.929 55.803 -0.036 0.000 0.863 603 Q CB -0.155 28.576 28.738 -0.012 0.000 0.904 603 Q HN 0.881 nan 8.270 nan 0.000 0.422 604 S N -1.510 114.158 115.700 -0.053 0.000 2.507 604 S HA 0.034 4.504 4.470 -0.001 0.000 0.235 604 S C 1.498 176.054 174.600 -0.073 0.000 0.988 604 S CA 0.794 58.952 58.200 -0.071 0.000 0.944 604 S CB 0.305 63.439 63.200 -0.110 0.000 0.762 604 S HN 0.572 nan 8.310 nan 0.000 0.526 605 G N 0.861 109.621 108.800 -0.067 0.000 2.232 605 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.226 605 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.226 605 G C 0.212 175.080 174.900 -0.053 0.000 0.996 605 G CA -0.173 44.892 45.100 -0.059 0.000 0.626 605 G HN 0.573 nan 8.290 nan 0.000 0.509 606 R N 1.335 121.800 120.500 -0.058 0.000 2.539 606 R HA 0.417 4.756 4.340 -0.001 0.000 0.275 606 R C 0.880 177.175 176.300 -0.009 0.000 1.077 606 R CA 0.089 56.170 56.100 -0.031 0.000 1.097 606 R CB 0.349 30.621 30.300 -0.046 0.000 1.018 606 R HN 0.621 nan 8.270 nan 0.000 0.483 607 N N 1.307 120.032 118.700 0.042 0.000 2.317 607 N HA -0.076 4.664 4.740 -0.001 0.000 0.245 607 N C 0.738 176.335 175.510 0.145 0.000 1.294 607 N CA -0.394 52.709 53.050 0.089 0.000 0.924 607 N CB 0.318 38.893 38.487 0.147 0.000 1.186 607 N HN 0.432 nan 8.380 nan 0.000 0.495 608 L N -0.444 120.914 121.223 0.225 0.000 2.046 608 L HA 0.005 4.345 4.340 -0.001 0.000 0.208 608 L C 1.917 179.032 176.870 0.409 0.000 1.077 608 L CA 1.371 56.369 54.840 0.264 0.000 0.747 608 L CB -0.921 41.277 42.059 0.231 0.000 0.896 608 L HN 0.788 nan 8.230 nan 0.000 0.432 609 W N 0.316 121.853 121.300 0.395 0.000 2.355 609 W HA -0.271 4.389 4.660 -0.001 0.000 0.309 609 W C 2.136 178.726 176.519 0.118 0.000 1.206 609 W CA 1.762 59.257 57.345 0.250 0.000 1.284 609 W CB -0.215 29.227 29.460 -0.030 0.000 1.145 609 W HN 0.318 nan 8.180 nan 0.000 0.502 610 Q N 0.211 119.976 119.800 -0.059 0.000 2.084 610 Q HA -0.286 4.053 4.340 -0.001 0.000 0.202 610 Q C 2.078 178.009 176.000 -0.115 0.000 0.978 610 Q CA 2.217 57.922 55.803 -0.163 0.000 0.844 610 Q CB -0.388 28.362 28.738 0.020 0.000 0.898 610 Q HN 0.223 nan 8.270 nan 0.000 0.426 611 E N 0.915 121.102 120.200 -0.021 0.000 2.072 611 E HA -0.168 4.182 4.350 -0.001 0.000 0.191 611 E C 1.778 178.380 176.600 0.004 0.000 0.985 611 E CA 0.644 57.053 56.400 0.015 0.000 0.801 611 E CB -0.217 29.498 29.700 0.024 0.000 0.750 611 E HN 0.331 nan 8.360 nan 0.000 0.452 612 L N -0.368 120.837 121.223 -0.030 0.000 1.989 612 L HA -0.199 4.141 4.340 -0.001 0.000 0.211 612 L C 2.186 179.029 176.870 -0.044 0.000 1.071 612 L CA 1.499 56.325 54.840 -0.024 0.000 0.749 612 L CB -0.319 41.784 42.059 0.074 0.000 0.890 612 L HN 0.100 nan 8.230 nan 0.000 0.431 613 V N -0.455 119.266 119.914 -0.322 0.000 2.332 613 V HA -0.358 3.762 4.120 -0.001 0.000 0.248 613 V C 2.456 178.417 176.094 -0.221 0.000 1.055 613 V CA 2.224 64.301 62.300 -0.372 0.000 1.038 613 V CB -0.979 30.377 31.823 -0.777 0.000 0.651 613 V HN 0.680 nan 8.190 nan 0.000 0.450 614 H N 0.508 119.436 119.070 -0.235 0.000 2.319 614 H HA -0.142 4.414 4.556 -0.000 0.000 0.299 614 H C 2.291 177.633 175.328 0.024 0.000 1.092 614 H CA 1.834 57.855 56.048 -0.045 0.000 1.302 614 H CB 0.052 29.842 29.762 0.045 0.000 1.373 614 H HN 0.160 nan 8.280 nan 0.000 0.497 615 K N -0.073 120.323 120.400 -0.006 0.000 2.026 615 K HA -0.162 4.158 4.320 -0.001 0.000 0.208 615 K C 2.240 178.766 176.600 -0.123 0.000 1.048 615 K CA 1.527 57.752 56.287 -0.103 0.000 0.929 615 K CB -0.773 31.637 32.500 -0.151 0.000 0.713 615 K HN 0.458 nan 8.250 nan 0.000 0.439 616 Y N -0.228 120.039 120.300 -0.055 0.000 2.181 616 Y HA -0.240 4.309 4.550 -0.001 0.000 0.288 616 Y C 2.326 178.169 175.900 -0.094 0.000 1.146 616 Y CA 1.419 59.489 58.100 -0.051 0.000 1.164 616 Y CB -0.355 38.079 38.460 -0.044 0.000 0.982 616 Y HN 0.086 nan 8.280 nan 0.000 0.515 617 Y N -0.438 119.836 120.300 -0.043 0.000 2.242 617 Y HA -0.286 4.264 4.550 -0.000 0.000 0.291 617 Y C 2.692 178.558 175.900 -0.057 0.000 1.137 617 Y CA 1.553 59.614 58.100 -0.066 0.000 1.181 617 Y CB -0.362 38.020 38.460 -0.129 0.000 0.989 617 Y HN 0.152 nan 8.280 nan 0.000 0.527 618 Q N 0.016 119.805 119.800 -0.018 0.000 2.096 618 Q HA -0.177 4.163 4.340 -0.001 0.000 0.204 618 Q C 2.450 178.447 176.000 -0.004 0.000 0.982 618 Q CA 1.622 57.380 55.803 -0.075 0.000 0.850 618 Q CB -0.499 28.125 28.738 -0.190 0.000 0.901 618 Q HN 0.558 nan 8.270 nan 0.000 0.422 619 G N -0.086 108.728 108.800 0.023 0.000 2.418 619 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.217 619 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.217 619 G C 1.415 176.405 174.900 0.150 0.000 1.158 619 G CA 0.964 46.142 45.100 0.130 0.000 0.771 619 G HN 0.304 nan 8.290 nan 0.000 0.545 620 V N 0.675 120.609 119.914 0.033 0.000 2.343 620 V HA -0.117 4.002 4.120 -0.001 0.000 0.247 620 V C 2.817 178.892 176.094 -0.032 0.000 1.051 620 V CA 1.916 64.167 62.300 -0.081 0.000 1.036 620 V CB -0.251 31.488 31.823 -0.141 0.000 0.654 620 V HN 0.305 nan 8.190 nan 0.000 0.451 621 E N -0.123 120.084 120.200 0.011 0.000 2.110 621 E HA -0.231 4.118 4.350 -0.001 0.000 0.193 621 E C 2.260 178.871 176.600 0.019 0.000 0.988 621 E CA 1.153 57.568 56.400 0.025 0.000 0.804 621 E CB -0.218 29.509 29.700 0.045 0.000 0.745 621 E HN 0.694 nan 8.360 nan 0.000 0.458 622 Q N 0.138 119.953 119.800 0.025 0.000 2.119 622 Q HA -0.077 4.262 4.340 -0.001 0.000 0.201 622 Q C 2.328 178.340 176.000 0.020 0.000 0.972 622 Q CA 1.042 56.861 55.803 0.026 0.000 0.847 622 Q CB 0.065 28.823 28.738 0.033 0.000 0.903 622 Q HN 0.089 nan 8.270 nan 0.000 0.433 623 V N 0.812 120.734 119.914 0.013 0.000 2.358 623 V HA -0.248 3.871 4.120 -0.001 0.000 0.246 623 V C 2.093 178.168 176.094 -0.031 0.000 1.047 623 V CA 1.740 64.025 62.300 -0.025 0.000 1.035 623 V CB -0.431 31.330 31.823 -0.103 0.000 0.658 623 V HN 0.281 nan 8.190 nan 0.000 0.452 624 R N 0.279 120.765 120.500 -0.023 0.000 2.096 624 R HA -0.092 4.248 4.340 -0.001 0.000 0.235 624 R C 2.429 178.738 176.300 0.015 0.000 1.127 624 R CA 1.435 57.532 56.100 -0.005 0.000 0.968 624 R CB -0.582 29.719 30.300 0.002 0.000 0.861 624 R HN 0.528 nan 8.270 nan 0.000 0.440 625 A N 0.999 123.830 122.820 0.018 0.000 1.933 625 A HA -0.143 4.177 4.320 -0.001 0.000 0.218 625 A C 2.155 179.759 177.584 0.034 0.000 1.175 625 A CA 1.226 53.280 52.037 0.028 0.000 0.628 625 A CB -0.381 18.634 19.000 0.025 0.000 0.814 625 A HN 0.177 nan 8.150 nan 0.000 0.444 626 M N -0.866 118.745 119.600 0.019 0.000 2.117 626 M HA -0.236 4.243 4.480 -0.001 0.000 0.262 626 M C 2.431 178.767 176.300 0.060 0.000 1.065 626 M CA 1.640 56.950 55.300 0.016 0.000 1.114 626 M CB -0.602 31.975 32.600 -0.038 0.000 1.361 626 M HN 0.527 nan 8.290 nan 0.000 0.408 627 Q N -0.059 119.767 119.800 0.044 0.000 2.061 627 Q HA -0.181 4.159 4.340 -0.001 0.000 0.204 627 Q C 2.141 178.222 176.000 0.136 0.000 0.984 627 Q CA 1.491 57.343 55.803 0.081 0.000 0.846 627 Q CB -0.218 28.546 28.738 0.043 0.000 0.902 627 Q HN 0.530 nan 8.270 nan 0.000 0.421 628 R N -0.208 120.350 120.500 0.097 0.000 2.075 628 R HA -0.076 4.264 4.340 -0.001 0.000 0.232 628 R C 2.429 178.799 176.300 0.115 0.000 1.126 628 R CA 1.601 57.758 56.100 0.096 0.000 0.963 628 R CB -0.434 29.905 30.300 0.065 0.000 0.858 628 R HN 0.220 nan 8.270 nan 0.000 0.435 629 T N 0.527 115.150 114.554 0.115 0.000 2.684 629 T HA -0.225 4.125 4.350 -0.001 0.000 0.267 629 T C 1.250 176.066 174.700 0.193 0.000 1.036 629 T CA 1.289 63.461 62.100 0.121 0.000 1.148 629 T CB -0.274 68.652 68.868 0.096 0.000 0.863 629 T HN 0.484 nan 8.240 nan 0.000 0.436 630 W N 2.034 123.361 121.300 0.045 0.000 2.381 630 W HA -0.141 4.518 4.660 -0.001 0.000 0.301 630 W C 1.462 178.144 176.519 0.271 0.000 1.205 630 W CA 1.117 58.523 57.345 0.102 0.000 1.285 630 W CB -0.236 29.223 29.460 -0.002 0.000 1.133 630 W HN 0.258 nan 8.180 nan 0.000 0.521 631 D N 0.293 120.857 120.400 0.273 0.000 2.228 631 D HA -0.222 4.417 4.640 -0.001 0.000 0.203 631 D C 1.896 178.272 176.300 0.127 0.000 0.988 631 D CA 1.491 55.661 54.000 0.284 0.000 0.864 631 D CB -0.529 40.400 40.800 0.215 0.000 0.928 631 D HN 0.427 nan 8.370 nan 0.000 0.469 632 Q N -0.307 119.537 119.800 0.073 0.000 2.482 632 Q HA -0.022 4.317 4.340 -0.001 0.000 0.209 632 Q C 0.965 176.971 176.000 0.009 0.000 0.961 632 Q CA 0.478 56.299 55.803 0.029 0.000 0.945 632 Q CB 0.296 29.068 28.738 0.057 0.000 1.012 632 Q HN 0.207 nan 8.270 nan 0.000 0.515 633 Q N -0.343 119.422 119.800 -0.058 0.000 2.219 633 Q HA 0.033 4.373 4.340 -0.001 0.000 0.209 633 Q C 0.801 176.613 176.000 -0.313 0.000 0.854 633 Q CA 0.149 55.944 55.803 -0.013 0.000 0.960 633 Q CB 0.534 29.219 28.738 -0.088 0.000 1.116 633 Q HN 0.445 nan 8.270 nan 0.000 0.500 634 E N 1.261 121.091 120.200 -0.615 0.000 2.160 634 E HA -0.149 4.201 4.350 -0.001 0.000 0.195 634 E C 1.466 177.658 176.600 -0.679 0.000 0.991 634 E CA 1.089 56.830 56.400 -1.098 0.000 0.810 634 E CB 0.222 29.242 29.700 -1.133 0.000 0.742 634 E HN 0.347 nan 8.360 nan 0.000 0.466 635 A N -0.386 122.065 122.820 -0.614 0.000 2.119 635 A HA -0.117 4.203 4.320 -0.001 0.000 0.217 635 A C 1.098 178.312 177.584 -0.617 0.000 1.153 635 A CA 0.818 52.477 52.037 -0.630 0.000 0.692 635 A CB -0.286 18.269 19.000 -0.742 0.000 0.799 635 A HN 0.343 nan 8.150 nan 0.000 0.458 636 Y N -1.613 118.527 120.300 -0.267 0.000 2.458 636 Y HA 0.333 4.882 4.550 -0.001 0.000 0.254 636 Y C 0.442 176.097 175.900 -0.408 0.000 1.120 636 Y CA -0.515 57.383 58.100 -0.336 0.000 1.282 636 Y CB 0.190 38.412 38.460 -0.398 0.000 1.109 636 Y HN -0.008 nan 8.280 nan 0.000 0.526 637 V N 1.931 121.725 119.914 -0.200 0.000 2.715 637 V HA 0.165 4.285 4.120 -0.001 0.000 0.310 637 V C -0.285 175.813 176.094 0.006 0.000 1.054 637 V CA -1.603 60.653 62.300 -0.074 0.000 0.928 637 V CB 1.770 33.582 31.823 -0.019 0.000 1.007 637 V HN 0.204 nan 8.190 nan 0.000 0.437 638 D N 3.045 123.508 120.400 0.105 0.000 2.423 638 D HA 0.078 4.718 4.640 -0.001 0.000 0.238 638 D C 1.147 177.541 176.300 0.157 0.000 1.142 638 D CA 0.334 54.390 54.000 0.094 0.000 0.884 638 D CB 1.864 42.726 40.800 0.102 0.000 1.199 638 D HN 0.566 nan 8.370 nan 0.000 0.438 639 A N 2.917 125.801 122.820 0.106 0.000 1.948 639 A HA -0.120 4.199 4.320 -0.001 0.000 0.220 639 A C 2.250 179.977 177.584 0.238 0.000 1.177 639 A CA 2.510 54.639 52.037 0.154 0.000 0.636 639 A CB -0.876 18.174 19.000 0.083 0.000 0.815 639 A HN 0.783 nan 8.150 nan 0.000 0.449 640 A N -0.368 122.565 122.820 0.189 0.000 1.841 640 A HA -0.129 4.190 4.320 -0.001 0.000 0.214 640 A C 2.257 179.982 177.584 0.235 0.000 1.195 640 A CA 1.467 53.612 52.037 0.180 0.000 0.611 640 A CB -0.488 18.589 19.000 0.129 0.000 0.835 640 A HN 0.531 nan 8.150 nan 0.000 0.443 641 R N -1.951 118.723 120.500 0.289 0.000 2.096 641 R HA -0.094 4.246 4.340 -0.001 0.000 0.235 641 R C 2.000 178.602 176.300 0.502 0.000 1.127 641 R CA 1.430 57.758 56.100 0.380 0.000 0.968 641 R CB -0.513 30.079 30.300 0.485 0.000 0.861 641 R HN 0.585 nan 8.270 nan 0.000 0.440 642 F N 1.604 121.801 119.950 0.413 0.000 2.069 642 F HA -0.240 4.287 4.527 -0.001 0.000 0.298 642 F C 2.296 178.375 175.800 0.464 0.000 1.113 642 F CA 1.646 59.941 58.000 0.493 0.000 1.214 642 F CB -0.444 38.664 39.000 0.181 0.000 0.978 642 F HN -0.017 nan 8.300 nan 0.000 0.474 643 A N -0.280 122.711 122.820 0.286 0.000 1.933 643 A HA -0.248 4.072 4.320 -0.001 0.000 0.218 643 A C 2.260 179.875 177.584 0.052 0.000 1.175 643 A CA 1.724 53.841 52.037 0.132 0.000 0.628 643 A CB -1.012 18.100 19.000 0.187 0.000 0.814 643 A HN 0.651 nan 8.150 nan 0.000 0.444 644 Q N -0.274 119.582 119.800 0.093 0.000 2.046 644 Q HA -0.110 4.229 4.340 -0.001 0.000 0.200 644 Q C 1.924 177.890 176.000 -0.056 0.000 0.975 644 Q CA 1.908 57.734 55.803 0.038 0.000 0.836 644 Q CB -0.157 28.624 28.738 0.071 0.000 0.896 644 Q HN 0.395 nan 8.270 nan 0.000 0.428 645 V N 1.411 121.279 119.914 -0.077 0.000 2.427 645 V HA -0.237 3.883 4.120 -0.001 0.000 0.248 645 V C 2.401 178.259 176.094 -0.393 0.000 1.051 645 V CA 2.002 64.096 62.300 -0.344 0.000 1.048 645 V CB -0.628 30.791 31.823 -0.674 0.000 0.666 645 V HN 0.382 nan 8.190 nan 0.000 0.456 646 K N 0.495 120.742 120.400 -0.255 0.000 2.020 646 K HA -0.237 4.082 4.320 -0.001 0.000 0.212 646 K C 2.193 178.738 176.600 -0.091 0.000 1.050 646 K CA 1.871 58.066 56.287 -0.153 0.000 0.929 646 K CB -0.361 32.002 32.500 -0.228 0.000 0.714 646 K HN 0.426 nan 8.250 nan 0.000 0.443 647 A N 1.179 123.960 122.820 -0.065 0.000 1.898 647 A HA -0.102 4.217 4.320 -0.001 0.000 0.216 647 A C 2.150 179.719 177.584 -0.025 0.000 1.181 647 A CA 1.281 53.304 52.037 -0.023 0.000 0.620 647 A CB -0.597 18.406 19.000 0.004 0.000 0.819 647 A HN 0.330 nan 8.150 nan 0.000 0.442 648 L N -0.631 120.561 121.223 -0.051 0.000 2.042 648 L HA -0.193 4.147 4.340 -0.001 0.000 0.210 648 L C 2.533 179.398 176.870 -0.009 0.000 1.076 648 L CA 1.069 55.902 54.840 -0.011 0.000 0.749 648 L CB -0.589 41.432 42.059 -0.063 0.000 0.893 648 L HN 0.364 nan 8.230 nan 0.000 0.432 649 L N -0.713 120.467 121.223 -0.072 0.000 2.131 649 L HA -0.247 4.093 4.340 -0.001 0.000 0.210 649 L C 2.715 179.540 176.870 -0.075 0.000 1.092 649 L CA 1.249 56.033 54.840 -0.093 0.000 0.759 649 L CB -0.438 41.539 42.059 -0.137 0.000 0.903 649 L HN 0.366 nan 8.230 nan 0.000 0.435 650 Q N -0.848 118.924 119.800 -0.047 0.000 2.124 650 Q HA -0.172 4.168 4.340 -0.001 0.000 0.202 650 Q C 2.326 178.305 176.000 -0.035 0.000 0.977 650 Q CA 1.419 57.204 55.803 -0.030 0.000 0.850 650 Q CB -0.157 28.579 28.738 -0.004 0.000 0.901 650 Q HN 0.364 nan 8.270 nan 0.000 0.429 651 V N 0.870 120.772 119.914 -0.021 0.000 2.358 651 V HA -0.284 3.836 4.120 -0.001 0.000 0.246 651 V C 2.297 178.330 176.094 -0.101 0.000 1.047 651 V CA 2.001 64.300 62.300 -0.002 0.000 1.035 651 V CB -0.620 31.244 31.823 0.069 0.000 0.658 651 V HN 0.398 nan 8.190 nan 0.000 0.452 652 Q N -0.163 119.521 119.800 -0.194 0.000 2.096 652 Q HA -0.266 4.073 4.340 -0.001 0.000 0.204 652 Q C 2.426 178.188 176.000 -0.397 0.000 0.982 652 Q CA 1.937 57.457 55.803 -0.472 0.000 0.850 652 Q CB -0.182 28.334 28.738 -0.370 0.000 0.901 652 Q HN 0.656 nan 8.270 nan 0.000 0.422 653 E N 0.667 120.726 120.200 -0.235 0.000 2.077 653 E HA -0.237 4.113 4.350 -0.001 0.000 0.193 653 E C 2.021 178.519 176.600 -0.169 0.000 0.989 653 E CA 1.094 57.373 56.400 -0.203 0.000 0.800 653 E CB -0.093 29.538 29.700 -0.114 0.000 0.746 653 E HN 0.293 nan 8.360 nan 0.000 0.452 654 R N 0.191 120.629 120.500 -0.105 0.000 2.073 654 R HA -0.124 4.215 4.340 -0.001 0.000 0.234 654 R C 2.237 178.513 176.300 -0.041 0.000 1.134 654 R CA 1.486 57.561 56.100 -0.040 0.000 0.952 654 R CB 0.025 30.328 30.300 0.006 0.000 0.850 654 R HN 0.086 nan 8.270 nan 0.000 0.433 655 E N 0.062 120.216 120.200 -0.077 0.000 2.106 655 E HA -0.139 4.210 4.350 -0.001 0.000 0.192 655 E C 1.836 178.437 176.600 0.001 0.000 0.984 655 E CA 1.148 57.544 56.400 -0.007 0.000 0.806 655 E CB -0.137 29.578 29.700 0.025 0.000 0.750 655 E HN 0.430 nan 8.360 nan 0.000 0.458 656 A N 0.978 123.606 122.820 -0.321 0.000 1.902 656 A HA -0.127 4.192 4.320 -0.001 0.000 0.217 656 A C 2.595 180.027 177.584 -0.253 0.000 1.181 656 A CA 1.284 52.924 52.037 -0.662 0.000 0.623 656 A CB -0.606 17.689 19.000 -1.174 0.000 0.818 656 A HN 0.127 nan 8.150 nan 0.000 0.443 657 V N -0.110 119.697 119.914 -0.178 0.000 2.343 657 V HA -0.248 3.872 4.120 -0.001 0.000 0.247 657 V C 2.639 178.690 176.094 -0.072 0.000 1.051 657 V CA 2.291 64.520 62.300 -0.118 0.000 1.036 657 V CB -0.772 31.014 31.823 -0.063 0.000 0.654 657 V HN 0.672 nan 8.190 nan 0.000 0.451 658 R N -1.411 119.091 120.500 0.003 0.000 2.091 658 R HA -0.224 4.115 4.340 -0.001 0.000 0.238 658 R C 2.149 178.394 176.300 -0.092 0.000 1.136 658 R CA 2.241 58.351 56.100 0.018 0.000 0.959 658 R CB -0.353 29.986 30.300 0.065 0.000 0.856 658 R HN 0.554 nan 8.270 nan 0.000 0.437 659 W N 0.790 122.013 121.300 -0.129 0.000 2.333 659 W HA -0.149 4.511 4.660 -0.001 0.000 0.316 659 W C 2.680 179.093 176.519 -0.177 0.000 1.215 659 W CA 1.865 59.147 57.345 -0.106 0.000 1.278 659 W CB -0.279 29.212 29.460 0.051 0.000 1.154 659 W HN 0.126 nan 8.180 nan 0.000 0.486 660 R N 0.416 120.966 120.500 0.085 0.000 2.082 660 R HA -0.227 4.113 4.340 -0.001 0.000 0.234 660 R C 1.842 177.941 176.300 -0.334 0.000 1.136 660 R CA 2.191 58.212 56.100 -0.130 0.000 0.935 660 R CB -0.796 29.356 30.300 -0.246 0.000 0.842 660 R HN 0.129 nan 8.270 nan 0.000 0.430 661 N N 0.267 118.741 118.700 -0.375 0.000 2.069 661 N HA -0.114 4.626 4.740 -0.001 0.000 0.191 661 N C 1.846 177.023 175.510 -0.556 0.000 1.031 661 N CA 1.871 54.615 53.050 -0.509 0.000 0.852 661 N CB -0.437 37.594 38.487 -0.760 0.000 1.018 661 N HN 0.165 nan 8.380 nan 0.000 0.423 662 S N -0.145 115.224 115.700 -0.552 0.000 2.368 662 S HA -0.089 4.381 4.470 -0.001 0.000 0.225 662 S C 2.267 176.803 174.600 -0.106 0.000 1.030 662 S CA 0.871 58.939 58.200 -0.219 0.000 0.999 662 S CB -0.353 62.773 63.200 -0.124 0.000 0.844 662 S HN 0.453 nan 8.310 nan 0.000 0.459 663 C N 0.735 119.871 119.300 -0.274 0.000 2.476 663 C HA 0.076 4.536 4.460 -0.001 0.000 0.278 663 C C 2.681 177.524 174.990 -0.245 0.000 1.274 663 C CA 0.123 58.927 59.018 -0.357 0.000 1.713 663 C CB -1.228 26.180 27.740 -0.554 0.000 2.039 663 C HN 0.391 nan 8.230 nan 0.000 0.484 664 V N 1.253 120.980 119.914 -0.312 0.000 2.287 664 V HA -0.229 3.891 4.120 -0.001 0.000 0.248 664 V C 2.329 178.495 176.094 0.120 0.000 1.053 664 V CA 1.922 64.186 62.300 -0.060 0.000 1.027 664 V CB -0.639 31.144 31.823 -0.067 0.000 0.646 664 V HN 0.549 nan 8.190 nan 0.000 0.447 665 L N -1.457 119.792 121.223 0.044 0.000 2.093 665 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 665 L C 2.453 179.388 176.870 0.109 0.000 1.085 665 L CA 1.773 56.672 54.840 0.098 0.000 0.755 665 L CB -0.653 41.468 42.059 0.103 0.000 0.904 665 L HN 0.447 nan 8.230 nan 0.000 0.435 666 Y N 0.362 120.656 120.300 -0.011 0.000 2.133 666 Y HA -0.251 4.299 4.550 -0.000 0.000 0.287 666 Y C 2.244 178.104 175.900 -0.066 0.000 1.134 666 Y CA 1.399 59.469 58.100 -0.050 0.000 1.133 666 Y CB -0.474 37.914 38.460 -0.121 0.000 0.987 666 Y HN -0.029 nan 8.280 nan 0.000 0.502 667 F N 0.981 120.864 119.950 -0.111 0.000 2.269 667 F HA -0.170 4.357 4.527 -0.000 0.000 0.301 667 F C 2.722 178.388 175.800 -0.223 0.000 1.082 667 F CA 1.658 59.577 58.000 -0.135 0.000 1.360 667 F CB -1.095 38.053 39.000 0.248 0.000 1.041 667 F HN 0.221 nan 8.300 nan 0.000 0.512 668 Q N 0.594 120.430 119.800 0.060 0.000 2.084 668 Q HA -0.205 4.135 4.340 -0.001 0.000 0.202 668 Q C 2.348 178.176 176.000 -0.287 0.000 0.978 668 Q CA 2.205 57.858 55.803 -0.251 0.000 0.844 668 Q CB -0.215 28.538 28.738 0.024 0.000 0.898 668 Q HN 0.423 nan 8.270 nan 0.000 0.426 669 S N -1.076 114.516 115.700 -0.181 0.000 2.442 669 S HA -0.076 4.394 4.470 -0.001 0.000 0.236 669 S C 1.728 176.218 174.600 -0.184 0.000 1.007 669 S CA 1.148 59.255 58.200 -0.155 0.000 0.965 669 S CB -0.067 63.085 63.200 -0.080 0.000 0.773 669 S HN 0.264 nan 8.310 nan 0.000 0.504 670 V N 1.543 121.308 119.914 -0.249 0.000 2.436 670 V HA 0.230 4.350 4.120 -0.001 0.000 0.240 670 V C 3.071 179.079 176.094 -0.144 0.000 1.040 670 V CA 1.103 63.319 62.300 -0.141 0.000 1.052 670 V CB -1.209 30.552 31.823 -0.103 0.000 0.707 670 V HN 0.591 nan 8.190 nan 0.000 0.469 671 A N 0.038 122.646 122.820 -0.353 0.000 1.930 671 A HA 0.205 4.524 4.320 -0.001 0.000 0.217 671 A C 2.011 179.238 177.584 -0.594 0.000 1.175 671 A CA 1.480 53.105 52.037 -0.687 0.000 0.627 671 A CB -0.924 17.059 19.000 -1.694 0.000 0.815 671 A HN 1.428 nan 8.150 nan 0.000 0.443 672 G N -0.912 107.567 108.800 -0.535 0.000 2.225 672 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.264 672 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.264 672 G C 0.041 174.658 174.900 -0.472 0.000 1.060 672 G CA 0.414 45.281 45.100 -0.388 0.000 0.833 672 G HN 0.702 nan 8.290 nan 0.000 0.498 673 R N -0.113 119.933 120.500 -0.756 0.000 2.803 673 R HA 0.602 4.942 4.340 -0.001 0.000 0.276 673 R C -2.587 173.456 176.300 -0.427 0.000 0.978 673 R CA -2.006 53.650 56.100 -0.741 0.000 0.939 673 R CB 2.128 31.606 30.300 -1.371 0.000 1.179 673 R HN 0.115 nan 8.270 nan 0.000 0.472 674 P HA 0.218 nan 4.420 nan 0.000 0.277 674 P C -0.423 177.089 177.300 0.353 0.000 1.240 674 P CA -0.369 62.784 63.100 0.089 0.000 0.798 674 P CB 0.624 32.362 31.700 0.065 0.000 0.979 675 I N 3.335 124.081 120.570 0.293 0.000 2.452 675 I HA 0.142 4.312 4.170 -0.001 0.000 0.287 675 I C -1.840 174.388 176.117 0.184 0.000 1.079 675 I CA -1.946 59.499 61.300 0.242 0.000 1.387 675 I CB 0.000 38.092 38.000 0.154 0.000 1.404 675 I HN 0.165 nan 8.210 nan 0.000 0.522 676 P HA -0.075 nan 4.420 nan 0.000 0.263 676 P C 0.465 177.833 177.300 0.113 0.000 1.175 676 P CA 0.097 63.298 63.100 0.168 0.000 0.761 676 P CB 0.770 32.594 31.700 0.207 0.000 0.794 677 A N 4.231 127.074 122.820 0.037 0.000 2.076 677 A HA -0.221 4.098 4.320 -0.001 0.000 0.220 677 A C 1.807 179.355 177.584 -0.059 0.000 1.160 677 A CA 1.692 53.730 52.037 0.002 0.000 0.653 677 A CB -1.074 17.923 19.000 -0.004 0.000 0.801 677 A HN 0.737 nan 8.150 nan 0.000 0.455 678 N N -1.174 117.429 118.700 -0.161 0.000 2.453 678 N HA -0.112 4.628 4.740 -0.001 0.000 0.183 678 N C -0.192 175.108 175.510 -0.350 0.000 1.041 678 N CA 0.471 53.356 53.050 -0.274 0.000 0.900 678 N CB -0.374 37.886 38.487 -0.378 0.000 0.961 678 N HN 0.472 nan 8.380 nan 0.000 0.443 679 Y N 1.635 121.833 120.300 -0.171 0.000 2.301 679 Y HA 0.172 4.722 4.550 -0.001 0.000 0.325 679 Y C 0.781 176.620 175.900 -0.103 0.000 1.203 679 Y CA -1.070 56.856 58.100 -0.290 0.000 1.255 679 Y CB 0.583 38.575 38.460 -0.779 0.000 1.232 679 Y HN 0.025 nan 8.280 nan 0.000 0.501 680 E N 3.257 123.591 120.200 0.224 0.000 2.328 680 E HA -0.010 4.339 4.350 -0.001 0.000 0.265 680 E C -0.764 175.991 176.600 0.259 0.000 1.057 680 E CA -0.630 55.900 56.400 0.217 0.000 0.916 680 E CB 0.410 30.247 29.700 0.228 0.000 0.993 680 E HN 0.452 nan 8.360 nan 0.000 0.446 681 Q N 4.699 124.594 119.800 0.158 0.000 2.313 681 Q HA 0.190 4.530 4.340 -0.001 0.000 0.266 681 Q C -2.079 173.998 176.000 0.128 0.000 0.989 681 Q CA -1.788 54.102 55.803 0.145 0.000 0.890 681 Q CB 0.457 29.247 28.738 0.087 0.000 1.200 681 Q HN 0.494 nan 8.270 nan 0.000 0.396 682 P HA -0.009 nan 4.420 nan 0.000 0.268 682 P C 0.574 177.909 177.300 0.059 0.000 1.205 682 P CA -0.016 63.158 63.100 0.123 0.000 0.771 682 P CB 0.822 32.615 31.700 0.154 0.000 0.858 683 E N 1.382 121.557 120.200 -0.042 0.000 2.122 683 E HA -0.090 4.260 4.350 -0.001 0.000 0.190 683 E C -0.065 176.365 176.600 -0.284 0.000 0.977 683 E CA 0.775 57.049 56.400 -0.210 0.000 0.820 683 E CB 0.120 29.598 29.700 -0.370 0.000 0.770 683 E HN 0.620 nan 8.360 nan 0.000 0.462 684 H N 0.669 119.685 119.070 -0.091 0.000 2.508 684 H HA 0.081 4.636 4.556 -0.000 0.000 0.358 684 H C 0.076 175.429 175.328 0.042 0.000 1.212 684 H CA -0.496 55.426 56.048 -0.210 0.000 1.356 684 H CB 0.799 30.104 29.762 -0.762 0.000 1.525 684 H HN 0.100 nan 8.280 nan 0.000 0.578 685 D N 0.364 120.868 120.400 0.174 0.000 2.466 685 D HA -0.023 4.617 4.640 -0.001 0.000 0.262 685 D C 1.127 177.589 176.300 0.269 0.000 1.177 685 D CA -0.730 53.378 54.000 0.179 0.000 1.035 685 D CB 0.634 41.489 40.800 0.092 0.000 1.105 685 D HN 0.355 nan 8.370 nan 0.000 0.551 686 L N -0.255 121.083 121.223 0.192 0.000 2.083 686 L HA -0.119 4.221 4.340 -0.001 0.000 0.209 686 L C 2.044 178.927 176.870 0.021 0.000 1.083 686 L CA 2.022 56.958 54.840 0.159 0.000 0.752 686 L CB -1.156 40.951 42.059 0.080 0.000 0.899 686 L HN 0.630 nan 8.230 nan 0.000 0.433 687 E N -1.167 119.024 120.200 -0.014 0.000 2.118 687 E HA -0.334 4.015 4.350 -0.001 0.000 0.195 687 E C 2.191 178.738 176.600 -0.089 0.000 0.992 687 E CA 1.800 58.146 56.400 -0.090 0.000 0.804 687 E CB -0.731 28.936 29.700 -0.055 0.000 0.741 687 E HN 0.636 nan 8.360 nan 0.000 0.458 688 Y N -0.536 119.657 120.300 -0.178 0.000 2.181 688 Y HA -0.259 4.291 4.550 -0.000 0.000 0.288 688 Y C 1.679 177.337 175.900 -0.403 0.000 1.146 688 Y CA 2.076 59.982 58.100 -0.325 0.000 1.164 688 Y CB -0.341 37.853 38.460 -0.443 0.000 0.982 688 Y HN 0.132 nan 8.280 nan 0.000 0.515 689 Y N 0.117 120.422 120.300 0.008 0.000 2.373 689 Y HA -0.128 4.422 4.550 -0.001 0.000 0.293 689 Y C 2.300 178.122 175.900 -0.130 0.000 1.129 689 Y CA 1.285 59.365 58.100 -0.034 0.000 1.226 689 Y CB -0.148 38.380 38.460 0.112 0.000 1.000 689 Y HN 0.014 nan 8.280 nan 0.000 0.549 690 K N -0.348 119.896 120.400 -0.261 0.000 2.097 690 K HA -0.196 4.124 4.320 -0.001 0.000 0.205 690 K C 2.184 178.657 176.600 -0.212 0.000 1.050 690 K CA 1.319 57.337 56.287 -0.449 0.000 0.938 690 K CB -0.186 31.898 32.500 -0.693 0.000 0.718 690 K HN 0.258 nan 8.250 nan 0.000 0.442 691 M N 1.253 120.701 119.600 -0.254 0.000 2.117 691 M HA -0.140 4.340 4.480 -0.001 0.000 0.262 691 M C 1.836 177.985 176.300 -0.252 0.000 1.065 691 M CA 1.643 56.793 55.300 -0.250 0.000 1.114 691 M CB -0.381 32.028 32.600 -0.319 0.000 1.361 691 M HN 0.158 nan 8.290 nan 0.000 0.408 692 L N 0.293 121.309 121.223 -0.344 0.000 2.083 692 L HA -0.166 4.173 4.340 -0.001 0.000 0.209 692 L C 2.677 179.505 176.870 -0.069 0.000 1.083 692 L CA 1.147 55.840 54.840 -0.246 0.000 0.752 692 L CB -0.995 40.910 42.059 -0.257 0.000 0.899 692 L HN 0.373 nan 8.230 nan 0.000 0.433 693 A N 0.014 122.839 122.820 0.009 0.000 1.972 693 A HA -0.177 4.143 4.320 -0.001 0.000 0.219 693 A C 2.350 179.967 177.584 0.055 0.000 1.169 693 A CA 1.251 53.332 52.037 0.074 0.000 0.635 693 A CB -0.378 18.785 19.000 0.272 0.000 0.810 693 A HN 0.339 nan 8.150 nan 0.000 0.446 694 R N -0.882 119.630 120.500 0.020 0.000 2.153 694 R HA -0.041 4.298 4.340 -0.001 0.000 0.218 694 R C 1.740 178.047 176.300 0.011 0.000 1.072 694 R CA 1.602 57.712 56.100 0.018 0.000 0.990 694 R CB -0.147 30.147 30.300 -0.010 0.000 0.889 694 R HN 0.718 nan 8.270 nan 0.000 0.452 695 T N -4.024 110.523 114.554 -0.011 0.000 3.003 695 T HA 0.113 4.463 4.350 -0.001 0.000 0.261 695 T C 0.679 175.401 174.700 0.037 0.000 1.003 695 T CA -0.269 61.831 62.100 -0.000 0.000 0.917 695 T CB 0.518 69.358 68.868 -0.045 0.000 1.084 695 T HN -0.187 nan 8.240 nan 0.000 0.522 696 T N 3.376 117.957 114.554 0.045 0.000 2.779 696 T HA 0.269 4.619 4.350 -0.001 0.000 0.296 696 T C -0.597 174.195 174.700 0.154 0.000 0.938 696 T CA -0.373 61.787 62.100 0.101 0.000 1.119 696 T CB -0.041 68.887 68.868 0.099 0.000 0.891 696 T HN 0.360 nan 8.240 nan 0.000 0.526 697 Y N 4.437 124.768 120.300 0.052 0.000 2.810 697 Y HA 0.165 4.715 4.550 0.000 0.000 0.332 697 Y C -0.161 175.736 175.900 -0.005 0.000 1.243 697 Y CA -0.148 57.972 58.100 0.033 0.000 1.537 697 Y CB 0.285 38.759 38.460 0.023 0.000 1.265 697 Y HN 0.350 nan 8.280 nan 0.000 0.572 698 V N 9.896 129.418 119.914 -0.654 0.000 2.348 698 V HA 0.237 4.357 4.120 -0.001 0.000 0.270 698 V C -2.040 173.508 176.094 -0.910 0.000 1.037 698 V CA -1.686 60.260 62.300 -0.590 0.000 0.872 698 V CB 1.022 32.737 31.823 -0.179 0.000 1.002 698 V HN 0.707 nan 8.190 nan 0.000 0.464 699 P HA 0.305 nan 4.420 nan 0.000 0.225 699 P C -0.394 176.996 177.300 0.149 0.000 1.830 699 P CA 0.140 63.101 63.100 -0.232 0.000 1.051 699 P CB 0.257 31.947 31.700 -0.016 0.000 1.929 700 E N 2.544 122.795 120.200 0.086 0.000 2.311 700 E HA 0.252 4.602 4.350 -0.001 0.000 0.281 700 E C -2.301 174.367 176.600 0.113 0.000 0.905 700 E CA -2.146 54.343 56.400 0.149 0.000 0.778 700 E CB 2.155 31.931 29.700 0.127 0.000 1.240 700 E HN -0.098 nan 8.360 nan 0.000 0.410 701 P HA -0.117 nan 4.420 nan 0.000 0.215 701 P C 0.855 178.228 177.300 0.121 0.000 1.153 701 P CA 0.840 64.009 63.100 0.114 0.000 0.853 701 P CB 0.006 31.771 31.700 0.109 0.000 0.788 702 W N 0.065 121.350 121.300 -0.026 0.000 2.353 702 W HA -0.113 4.546 4.660 -0.002 0.000 0.319 702 W C 1.282 177.791 176.519 -0.016 0.000 1.207 702 W CA 1.418 58.745 57.345 -0.029 0.000 1.291 702 W CB -0.981 28.446 29.460 -0.056 0.000 1.159 702 W HN -0.073 nan 8.180 nan 0.000 0.478 703 H N 1.511 120.481 119.070 -0.167 0.000 2.886 703 H HA 0.020 4.575 4.556 -0.001 0.000 0.329 703 H C -1.559 173.542 175.328 -0.378 0.000 1.044 703 H CA -0.503 55.217 56.048 -0.547 0.000 1.456 703 H CB 1.243 30.913 29.762 -0.154 0.000 1.464 703 H HN -0.080 nan 8.280 nan 0.000 0.573 704 P HA -0.178 nan 4.420 nan 0.000 0.217 704 P C 1.184 178.422 177.300 -0.102 0.000 1.148 704 P CA 1.921 64.778 63.100 -0.405 0.000 0.834 704 P CB 0.030 31.446 31.700 -0.474 0.000 0.783 705 A N 0.230 123.133 122.820 0.139 0.000 1.986 705 A HA -0.255 4.065 4.320 -0.001 0.000 0.220 705 A C 2.312 179.924 177.584 0.048 0.000 1.171 705 A CA 2.433 54.557 52.037 0.145 0.000 0.640 705 A CB -1.671 17.448 19.000 0.197 0.000 0.811 705 A HN 0.386 nan 8.150 nan 0.000 0.451 706 S N -0.883 114.825 115.700 0.013 0.000 2.469 706 S HA -0.052 4.418 4.470 -0.001 0.000 0.238 706 S C 1.545 176.189 174.600 0.073 0.000 0.998 706 S CA 1.374 59.548 58.200 -0.043 0.000 0.957 706 S CB -0.360 62.800 63.200 -0.066 0.000 0.764 706 S HN 0.409 nan 8.310 nan 0.000 0.514 707 S N 1.087 116.809 115.700 0.038 0.000 2.556 707 S HA 0.282 4.752 4.470 -0.001 0.000 0.216 707 S C 0.623 175.247 174.600 0.039 0.000 0.970 707 S CA -0.205 58.020 58.200 0.041 0.000 0.912 707 S CB 0.079 63.277 63.200 -0.002 0.000 0.790 707 S HN 0.559 nan 8.310 nan 0.000 0.504 708 S N 1.814 117.541 115.700 0.044 0.000 2.515 708 S HA 0.148 4.617 4.470 -0.001 0.000 0.285 708 S C 0.850 175.480 174.600 0.051 0.000 1.265 708 S CA -0.313 57.913 58.200 0.042 0.000 1.079 708 S CB 0.230 63.459 63.200 0.047 0.000 0.877 708 S HN 0.369 nan 8.310 nan 0.000 0.493 709 R N 3.227 123.748 120.500 0.035 0.000 2.388 709 R HA 0.177 4.517 4.340 -0.001 0.000 0.247 709 R C -0.182 176.132 176.300 0.023 0.000 0.931 709 R CA -0.228 55.891 56.100 0.031 0.000 1.082 709 R CB 0.195 30.508 30.300 0.022 0.000 1.135 709 R HN 0.435 nan 8.270 nan 0.000 0.525 710 V N 1.884 121.812 119.914 0.023 0.000 2.557 710 V HA -0.073 4.047 4.120 -0.001 0.000 0.301 710 V C 1.151 177.250 176.094 0.007 0.000 1.026 710 V CA 0.906 63.214 62.300 0.014 0.000 1.137 710 V CB 0.815 32.647 31.823 0.015 0.000 0.917 710 V HN 0.401 nan 8.190 nan 0.000 0.484 711 L N 4.556 125.777 121.223 -0.004 0.000 2.966 711 L HA 0.362 4.702 4.340 -0.001 0.000 0.262 711 L C 0.792 177.644 176.870 -0.030 0.000 1.165 711 L CA 0.307 55.139 54.840 -0.013 0.000 0.978 711 L CB 0.181 42.236 42.059 -0.007 0.000 1.337 711 L HN 0.580 nan 8.230 nan 0.000 0.563 712 K N 0.000 120.379 120.400 -0.035 0.000 2.780 712 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 712 K CA 0.000 56.258 56.287 -0.049 0.000 0.838 712 K CB 0.000 32.479 32.500 -0.035 0.000 1.064 712 K HN 0.000 nan 8.250 nan 0.000 0.543