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 2zku_1_D DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHS 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.582 174.600 -0.030 0.000 1.055 1 S CA 0.000 58.187 58.200 -0.021 0.000 1.107 1 S CB 0.000 63.183 63.200 -0.028 0.000 0.593 2 M N 3.905 123.479 119.600 -0.043 0.000 2.211 2 M HA 0.285 4.765 4.480 0.000 0.000 0.356 2 M C 1.861 178.067 176.300 -0.156 0.000 1.216 2 M CA -0.159 55.104 55.300 -0.062 0.000 1.134 2 M CB 0.897 33.481 32.600 -0.027 0.000 1.564 2 M HN 0.854 nan 8.290 nan 0.000 0.463 3 S N 2.823 118.371 115.700 -0.253 0.000 2.383 3 S HA -0.057 4.413 4.470 0.000 0.000 0.227 3 S C 0.135 174.395 174.600 -0.568 0.000 1.026 3 S CA 0.908 58.856 58.200 -0.420 0.000 0.981 3 S CB -0.081 62.790 63.200 -0.548 0.000 0.818 3 S HN 0.641 nan 8.310 nan 0.000 0.472 4 Y N 0.615 120.779 120.300 -0.228 0.000 2.597 4 Y HA 0.561 5.111 4.550 0.000 0.000 0.340 4 Y C -0.287 175.367 175.900 -0.409 0.000 1.097 4 Y CA -0.768 57.092 58.100 -0.400 0.000 1.037 4 Y CB 2.124 40.287 38.460 -0.495 0.000 1.305 4 Y HN 0.173 nan 8.280 nan 0.000 0.463 5 T N -2.138 112.160 114.554 -0.428 0.000 2.916 5 T HA 0.682 5.032 4.350 0.000 0.000 0.298 5 T C -1.522 172.883 174.700 -0.492 0.000 1.031 5 T CA -0.812 61.125 62.100 -0.272 0.000 0.993 5 T CB 0.999 69.814 68.868 -0.088 0.000 1.045 5 T HN 0.499 nan 8.240 nan 0.000 0.454 6 W N 1.063 122.420 121.300 0.095 0.000 2.781 6 W HA 0.532 5.192 4.660 0.000 0.000 0.345 6 W C 1.495 178.046 176.519 0.054 0.000 1.085 6 W CA -0.593 56.794 57.345 0.070 0.000 1.198 6 W CB 1.872 31.355 29.460 0.038 0.000 1.423 6 W HN 0.891 nan 8.180 nan 0.000 0.532 7 T N -2.559 112.158 114.554 0.273 0.000 2.976 7 T HA 0.333 4.683 4.350 0.000 0.000 0.257 7 T C 1.361 176.149 174.700 0.146 0.000 1.051 7 T CA 1.251 63.449 62.100 0.164 0.000 1.141 7 T CB -0.114 68.829 68.868 0.125 0.000 0.881 7 T HN 1.140 nan 8.240 nan 0.000 0.461 8 G N 0.997 109.895 108.800 0.163 0.000 2.738 8 G HA2 0.211 4.171 3.960 0.000 0.000 0.195 8 G HA3 0.211 4.171 3.960 0.000 0.000 0.195 8 G C 0.353 175.294 174.900 0.069 0.000 1.001 8 G CA -0.084 45.074 45.100 0.096 0.000 0.759 8 G HN 0.927 nan 8.290 nan 0.000 0.494 9 A N 0.927 123.801 122.820 0.091 0.000 2.507 9 A HA 0.612 4.932 4.320 0.000 0.000 0.235 9 A C 0.656 178.269 177.584 0.049 0.000 1.070 9 A CA 0.362 52.440 52.037 0.067 0.000 0.768 9 A CB 0.105 19.153 19.000 0.080 0.000 1.011 9 A HN 0.824 nan 8.150 nan 0.000 0.502 10 L N 1.621 122.858 121.223 0.023 0.000 2.375 10 L HA 0.329 4.669 4.340 0.000 0.000 0.271 10 L C 0.058 176.934 176.870 0.010 0.000 1.107 10 L CA -0.386 54.451 54.840 -0.004 0.000 0.806 10 L CB 0.898 42.952 42.059 -0.008 0.000 1.146 10 L HN 0.553 nan 8.230 nan 0.000 0.447 11 I N 2.190 122.751 120.570 -0.015 0.000 2.406 11 I HA 0.034 4.204 4.170 0.000 0.000 0.293 11 I C 0.604 176.730 176.117 0.014 0.000 1.101 11 I CA -0.032 61.274 61.300 0.010 0.000 1.334 11 I CB 0.476 38.467 38.000 -0.015 0.000 1.421 11 I HN 0.676 nan 8.210 nan 0.000 0.513 12 T N 5.454 120.024 114.554 0.028 0.000 2.909 12 T HA 0.466 4.816 4.350 0.000 0.000 0.289 12 T C -2.228 172.494 174.700 0.038 0.000 1.005 12 T CA -1.770 60.346 62.100 0.027 0.000 1.084 12 T CB 1.430 70.313 68.868 0.025 0.000 0.975 12 T HN 0.296 nan 8.240 nan 0.000 0.509 13 P HA 0.231 nan 4.420 nan 0.000 0.276 13 P C 0.386 177.714 177.300 0.047 0.000 1.252 13 P CA -0.699 62.429 63.100 0.046 0.000 0.802 13 P CB 1.122 32.848 31.700 0.043 0.000 1.035 14 C N 0.969 120.302 119.300 0.054 0.000 2.519 14 C HA 0.492 4.952 4.460 0.000 0.000 0.281 14 C C 1.102 176.118 174.990 0.043 0.000 1.331 14 C CA 1.148 60.197 59.018 0.051 0.000 1.725 14 C CB -0.937 26.840 27.740 0.062 0.000 2.079 14 C HN 0.740 nan 8.230 nan 0.000 0.496 15 A N -0.549 122.300 122.820 0.047 0.000 2.567 15 A HA 0.751 5.071 4.320 0.000 0.000 0.289 15 A C -0.500 177.115 177.584 0.052 0.000 1.177 15 A CA 0.180 52.245 52.037 0.046 0.000 0.694 15 A CB -0.033 18.996 19.000 0.048 0.000 1.292 15 A HN 0.994 nan 8.150 nan 0.000 0.425 16 A N -0.007 122.845 122.820 0.052 0.000 2.561 16 A HA 0.453 4.773 4.320 0.000 0.000 0.234 16 A C -0.068 177.562 177.584 0.076 0.000 1.055 16 A CA 0.581 52.653 52.037 0.058 0.000 0.756 16 A CB -0.386 18.647 19.000 0.055 0.000 0.986 16 A HN 0.592 nan 8.150 nan 0.000 0.505 17 E N 1.646 121.896 120.200 0.083 0.000 2.186 17 E HA 0.313 4.663 4.350 0.000 0.000 0.255 17 E C -1.242 175.441 176.600 0.139 0.000 0.881 17 E CA -0.513 55.951 56.400 0.106 0.000 0.752 17 E CB 1.224 30.976 29.700 0.087 0.000 1.176 17 E HN 0.643 nan 8.360 nan 0.000 0.421 18 E N 1.178 121.495 120.200 0.195 0.000 2.257 18 E HA 0.023 4.373 4.350 0.000 0.000 0.278 18 E C 0.547 177.370 176.600 0.372 0.000 1.049 18 E CA 0.086 56.639 56.400 0.254 0.000 0.876 18 E CB 0.845 30.699 29.700 0.255 0.000 1.035 18 E HN 0.507 nan 8.360 nan 0.000 0.419 19 S N 2.817 118.703 115.700 0.310 0.000 2.497 19 S HA 0.180 4.650 4.470 0.000 0.000 0.218 19 S C 0.537 175.402 174.600 0.442 0.000 1.023 19 S CA -0.007 58.380 58.200 0.313 0.000 0.913 19 S CB 0.385 63.710 63.200 0.209 0.000 0.800 19 S HN 0.189 nan 8.310 nan 0.000 0.505 20 K N 0.542 121.190 120.400 0.415 0.000 2.221 20 K HA 0.535 4.855 4.320 0.000 0.000 0.243 20 K C -1.444 175.313 176.600 0.261 0.000 0.968 20 K CA -0.982 55.533 56.287 0.381 0.000 0.846 20 K CB 1.537 34.165 32.500 0.213 0.000 1.141 20 K HN 0.112 nan 8.250 nan 0.000 0.434 21 L N 4.353 125.711 121.223 0.225 0.000 2.313 21 L HA 0.258 4.598 4.340 0.000 0.000 0.282 21 L C -2.097 174.751 176.870 -0.037 0.000 1.092 21 L CA -1.395 53.409 54.840 -0.062 0.000 0.831 21 L CB 0.181 42.329 42.059 0.147 0.000 1.159 21 L HN 0.484 nan 8.230 nan 0.000 0.442 22 P HA 0.143 nan 4.420 nan 0.000 0.274 22 P C -0.657 176.621 177.300 -0.038 0.000 1.260 22 P CA -0.238 62.800 63.100 -0.103 0.000 0.793 22 P CB 0.771 32.372 31.700 -0.165 0.000 1.048 23 I N 2.057 122.579 120.570 -0.080 0.000 2.315 23 I HA 0.268 4.438 4.170 0.000 0.000 0.291 23 I C 0.572 176.655 176.117 -0.055 0.000 1.006 23 I CA -0.280 60.950 61.300 -0.115 0.000 1.265 23 I CB 0.390 38.299 38.000 -0.153 0.000 1.387 23 I HN 0.451 nan 8.210 nan 0.000 0.475 24 N N 5.259 123.958 118.700 -0.000 0.000 2.823 24 N HA 0.375 5.115 4.740 0.000 0.000 0.251 24 N C -0.135 175.398 175.510 0.038 0.000 1.392 24 N CA -0.605 52.446 53.050 0.002 0.000 0.864 24 N CB 1.446 39.921 38.487 -0.020 0.000 1.481 24 N HN 0.423 nan 8.380 nan 0.000 0.508 25 A N 1.239 124.068 122.820 0.016 0.000 1.827 25 A HA -0.039 4.281 4.320 0.000 0.000 0.215 25 A C 2.095 179.702 177.584 0.039 0.000 1.212 25 A CA 1.760 53.809 52.037 0.021 0.000 0.624 25 A CB -1.288 17.713 19.000 0.001 0.000 0.853 25 A HN 0.628 nan 8.150 nan 0.000 0.450 26 L N -0.264 120.973 121.223 0.024 0.000 2.085 26 L HA -0.287 4.053 4.340 0.000 0.000 0.218 26 L C 2.917 179.864 176.870 0.129 0.000 1.080 26 L CA 1.869 56.737 54.840 0.047 0.000 0.776 26 L CB -0.603 41.446 42.059 -0.017 0.000 0.891 26 L HN 0.589 nan 8.230 nan 0.000 0.437 27 S N 0.096 115.847 115.700 0.086 0.000 2.355 27 S HA -0.203 4.267 4.470 0.000 0.000 0.222 27 S C 1.768 176.391 174.600 0.038 0.000 1.031 27 S CA 1.745 59.981 58.200 0.061 0.000 0.993 27 S CB -0.270 62.958 63.200 0.046 0.000 0.859 27 S HN 0.505 nan 8.310 nan 0.000 0.453 28 N N 1.017 119.794 118.700 0.127 0.000 2.289 28 N HA -0.094 4.646 4.740 0.000 0.000 0.184 28 N C 1.778 177.327 175.510 0.065 0.000 1.016 28 N CA 1.727 54.871 53.050 0.155 0.000 0.872 28 N CB -0.340 38.286 38.487 0.233 0.000 0.973 28 N HN 0.525 nan 8.380 nan 0.000 0.433 29 S N -0.911 114.823 115.700 0.057 0.000 2.447 29 S HA -0.087 4.383 4.470 0.000 0.000 0.233 29 S C 1.708 176.329 174.600 0.034 0.000 1.006 29 S CA 0.616 58.831 58.200 0.024 0.000 0.957 29 S CB -0.263 62.959 63.200 0.037 0.000 0.773 29 S HN 0.339 nan 8.310 nan 0.000 0.507 30 L N 0.054 121.305 121.223 0.047 0.000 2.189 30 L HA 0.575 4.915 4.340 0.000 0.000 0.199 30 L C 0.298 177.178 176.870 0.017 0.000 1.074 30 L CA 0.940 55.806 54.840 0.044 0.000 0.783 30 L CB -0.005 41.869 42.059 -0.310 0.000 0.955 30 L HN 0.501 nan 8.230 nan 0.000 0.460 31 L N -0.719 120.454 121.223 -0.084 0.000 2.410 31 L HA 0.399 4.739 4.340 0.000 0.000 0.270 31 L C 0.735 177.485 176.870 -0.201 0.000 0.983 31 L CA -0.477 54.278 54.840 -0.142 0.000 0.822 31 L CB 1.718 43.676 42.059 -0.168 0.000 1.285 31 L HN 0.029 nan 8.230 nan 0.000 0.409 32 R N 1.237 121.664 120.500 -0.121 0.000 2.075 32 R HA 0.110 4.450 4.340 0.000 0.000 0.220 32 R C 0.179 176.638 176.300 0.264 0.000 1.118 32 R CA 0.432 56.573 56.100 0.069 0.000 0.986 32 R CB 0.042 30.390 30.300 0.080 0.000 0.884 32 R HN 0.656 nan 8.270 nan 0.000 0.439 33 H N 0.773 119.880 119.070 0.062 0.000 3.563 33 H HA -0.002 4.554 4.556 -0.000 0.000 0.219 33 H C 0.463 175.850 175.328 0.099 0.000 1.771 33 H CA -0.595 55.513 56.048 0.099 0.000 1.458 33 H CB 0.015 29.817 29.762 0.066 0.000 1.796 33 H HN 0.287 nan 8.280 nan 0.000 0.652 34 H N 0.644 119.815 119.070 0.167 0.000 2.426 34 H HA -0.149 4.406 4.556 -0.000 0.000 0.298 34 H C 1.658 177.075 175.328 0.148 0.000 1.107 34 H CA 1.030 57.157 56.048 0.130 0.000 1.298 34 H CB 0.185 29.997 29.762 0.084 0.000 1.377 34 H HN 0.559 nan 8.280 nan 0.000 0.519 35 N N -0.033 118.819 118.700 0.254 0.000 2.459 35 N HA -0.072 4.668 4.740 0.000 0.000 0.181 35 N C 1.302 176.926 175.510 0.189 0.000 1.046 35 N CA 0.749 53.911 53.050 0.186 0.000 0.904 35 N CB -0.002 38.555 38.487 0.117 0.000 0.964 35 N HN 0.469 nan 8.380 nan 0.000 0.444 36 M N 0.194 119.916 119.600 0.203 0.000 2.558 36 M HA 0.048 4.528 4.480 0.000 0.000 0.255 36 M C 0.089 176.552 176.300 0.271 0.000 1.113 36 M CA 0.381 55.806 55.300 0.209 0.000 1.097 36 M CB 0.527 33.244 32.600 0.194 0.000 1.426 36 M HN -0.250 nan 8.290 nan 0.000 0.488 37 V N 1.476 121.549 119.914 0.264 0.000 2.407 37 V HA 0.259 4.379 4.120 0.000 0.000 0.278 37 V C -0.750 175.572 176.094 0.381 0.000 1.037 37 V CA -0.639 61.823 62.300 0.269 0.000 0.900 37 V CB 0.286 32.253 31.823 0.240 0.000 0.983 37 V HN 0.296 nan 8.190 nan 0.000 0.459 38 Y N 2.870 123.265 120.300 0.158 0.000 2.588 38 Y HA 0.918 5.468 4.550 -0.000 0.000 0.343 38 Y C -0.444 175.409 175.900 -0.077 0.000 1.065 38 Y CA -1.558 56.619 58.100 0.129 0.000 1.038 38 Y CB 1.678 40.209 38.460 0.118 0.000 1.297 38 Y HN 0.655 nan 8.280 nan 0.000 0.467 39 A N 1.671 124.420 122.820 -0.119 0.000 2.342 39 A HA 0.662 4.982 4.320 0.000 0.000 0.323 39 A C -0.153 177.431 177.584 0.000 0.000 1.125 39 A CA -0.420 51.372 52.037 -0.408 0.000 0.785 39 A CB 0.454 19.003 19.000 -0.751 0.000 1.221 39 A HN 1.076 nan 8.150 nan 0.000 0.463 40 T N 0.335 114.896 114.554 0.011 0.000 2.918 40 T HA 0.555 4.905 4.350 0.000 0.000 0.302 40 T C 0.429 175.176 174.700 0.079 0.000 1.045 40 T CA 0.412 62.606 62.100 0.156 0.000 1.114 40 T CB 0.691 69.679 68.868 0.200 0.000 0.965 40 T HN 1.372 nan 8.240 nan 0.000 0.540 41 T N -1.861 112.749 114.554 0.093 0.000 2.838 41 T HA 0.488 4.838 4.350 0.000 0.000 0.292 41 T C 1.350 176.081 174.700 0.053 0.000 1.113 41 T CA -0.281 61.859 62.100 0.067 0.000 1.008 41 T CB 1.233 70.146 68.868 0.075 0.000 1.259 41 T HN 0.711 nan 8.240 nan 0.000 0.520 42 S N -0.217 115.509 115.700 0.042 0.000 2.500 42 S HA -0.082 4.388 4.470 0.000 0.000 0.239 42 S C 1.678 176.284 174.600 0.011 0.000 0.989 42 S CA 0.142 58.356 58.200 0.025 0.000 0.951 42 S CB -0.649 62.566 63.200 0.027 0.000 0.759 42 S HN 0.682 nan 8.310 nan 0.000 0.523 43 R N 1.480 121.993 120.500 0.021 0.000 2.237 43 R HA 0.003 4.343 4.340 0.000 0.000 0.219 43 R C 1.734 178.032 176.300 -0.002 0.000 1.080 43 R CA 1.310 57.417 56.100 0.010 0.000 0.995 43 R CB -0.351 29.962 30.300 0.022 0.000 0.875 43 R HN 0.729 nan 8.270 nan 0.000 0.462 44 S N -1.363 114.339 115.700 0.003 0.000 2.559 44 S HA 0.249 4.719 4.470 0.000 0.000 0.226 44 S C 1.729 176.309 174.600 -0.033 0.000 1.000 44 S CA 0.118 58.312 58.200 -0.009 0.000 0.948 44 S CB 0.972 64.182 63.200 0.017 0.000 0.870 44 S HN 0.222 nan 8.310 nan 0.000 0.497 45 A N 2.246 125.040 122.820 -0.044 0.000 1.948 45 A HA 0.073 4.393 4.320 0.000 0.000 0.220 45 A C 2.272 179.761 177.584 -0.159 0.000 1.177 45 A CA 1.846 53.830 52.037 -0.088 0.000 0.636 45 A CB -1.736 17.210 19.000 -0.089 0.000 0.815 45 A HN 0.680 nan 8.150 nan 0.000 0.449 46 G N -0.346 108.365 108.800 -0.150 0.000 2.440 46 G HA2 -0.197 3.763 3.960 0.000 0.000 0.218 46 G HA3 -0.197 3.763 3.960 0.000 0.000 0.218 46 G C 1.554 176.360 174.900 -0.156 0.000 1.154 46 G CA 1.085 46.073 45.100 -0.186 0.000 0.767 46 G HN 0.460 nan 8.290 nan 0.000 0.552 47 L N -0.340 120.825 121.223 -0.097 0.000 2.046 47 L HA -0.035 4.305 4.340 0.000 0.000 0.208 47 L C 2.927 179.762 176.870 -0.059 0.000 1.077 47 L CA 1.310 56.112 54.840 -0.064 0.000 0.747 47 L CB -0.284 41.751 42.059 -0.039 0.000 0.896 47 L HN 0.162 nan 8.230 nan 0.000 0.432 48 R N 0.360 120.820 120.500 -0.066 0.000 2.066 48 R HA -0.156 4.184 4.340 0.000 0.000 0.232 48 R C 2.233 178.485 176.300 -0.079 0.000 1.131 48 R CA 1.567 57.641 56.100 -0.043 0.000 0.955 48 R CB -0.435 29.846 30.300 -0.030 0.000 0.851 48 R HN 0.368 nan 8.270 nan 0.000 0.432 49 Q N 0.139 119.806 119.800 -0.222 0.000 2.112 49 Q HA -0.198 4.142 4.340 0.000 0.000 0.206 49 Q C 1.915 177.827 176.000 -0.148 0.000 0.987 49 Q CA 2.085 57.658 55.803 -0.382 0.000 0.858 49 Q CB -0.155 28.034 28.738 -0.915 0.000 0.905 49 Q HN 0.364 nan 8.270 nan 0.000 0.420 50 K N 0.503 120.838 120.400 -0.108 0.000 2.288 50 K HA -0.064 4.256 4.320 0.000 0.000 0.201 50 K C 1.869 178.533 176.600 0.105 0.000 1.048 50 K CA 0.736 57.029 56.287 0.010 0.000 0.956 50 K CB 0.127 32.618 32.500 -0.016 0.000 0.746 50 K HN 0.115 nan 8.250 nan 0.000 0.461 51 K N 0.595 121.052 120.400 0.095 0.000 2.116 51 K HA -0.050 4.270 4.320 0.000 0.000 0.203 51 K C 1.962 178.740 176.600 0.297 0.000 1.052 51 K CA 1.230 57.611 56.287 0.156 0.000 0.952 51 K CB 0.134 32.695 32.500 0.101 0.000 0.729 51 K HN 0.074 nan 8.250 nan 0.000 0.446 52 V N -1.231 118.835 119.914 0.254 0.000 3.541 52 V HA 0.050 4.170 4.120 0.000 0.000 0.267 52 V C 0.479 176.725 176.094 0.254 0.000 1.213 52 V CA 0.287 62.772 62.300 0.308 0.000 1.149 52 V CB -0.154 31.802 31.823 0.222 0.000 0.822 52 V HN -0.045 nan 8.190 nan 0.000 0.462 53 T N 4.446 119.189 114.554 0.314 0.000 2.738 53 T HA 0.701 5.051 4.350 0.000 0.000 0.298 53 T C -0.763 174.110 174.700 0.288 0.000 0.962 53 T CA 0.006 62.277 62.100 0.285 0.000 0.972 53 T CB 0.235 69.374 68.868 0.451 0.000 0.928 53 T HN 0.657 nan 8.240 nan 0.000 0.474 54 F N 0.105 120.164 119.950 0.182 0.000 2.770 54 F HA 0.610 5.137 4.527 0.000 0.000 0.313 54 F C -1.192 174.654 175.800 0.078 0.000 1.154 54 F CA -1.784 56.284 58.000 0.113 0.000 0.923 54 F CB 0.601 39.656 39.000 0.092 0.000 1.301 54 F HN 0.287 nan 8.300 nan 0.000 0.449 55 D N 0.642 121.253 120.400 0.352 0.000 2.302 55 D HA 0.507 5.147 4.640 0.000 0.000 0.248 55 D C -0.921 175.555 176.300 0.294 0.000 1.094 55 D CA 0.033 54.160 54.000 0.211 0.000 0.897 55 D CB 0.887 41.770 40.800 0.137 0.000 1.200 55 D HN 0.608 nan 8.370 nan 0.000 0.429 56 R N 2.238 122.834 120.500 0.159 0.000 2.393 56 R HA 0.489 4.829 4.340 0.000 0.000 0.315 56 R C -1.102 175.242 176.300 0.072 0.000 0.952 56 R CA -0.889 55.303 56.100 0.152 0.000 0.842 56 R CB 1.271 31.631 30.300 0.100 0.000 1.163 56 R HN 0.395 nan 8.270 nan 0.000 0.450 57 L N 2.022 123.282 121.223 0.061 0.000 2.296 57 L HA 0.494 4.834 4.340 0.000 0.000 0.286 57 L C -0.937 175.941 176.870 0.013 0.000 1.023 57 L CA 0.030 54.885 54.840 0.025 0.000 0.812 57 L CB 1.474 43.543 42.059 0.017 0.000 1.223 57 L HN 0.664 nan 8.230 nan 0.000 0.421 58 Q N 4.003 123.800 119.800 -0.005 0.000 2.292 58 Q HA 0.661 5.001 4.340 0.000 0.000 0.270 58 Q C -2.048 173.931 176.000 -0.034 0.000 1.024 58 Q CA -0.679 55.114 55.803 -0.018 0.000 0.768 58 Q CB 2.024 30.741 28.738 -0.036 0.000 1.250 58 Q HN 0.605 nan 8.270 nan 0.000 0.447 59 V N 5.654 125.554 119.914 -0.022 0.000 2.407 59 V HA 0.430 4.550 4.120 0.000 0.000 0.291 59 V C -0.384 175.711 176.094 0.002 0.000 1.018 59 V CA -0.653 61.630 62.300 -0.028 0.000 0.842 59 V CB 1.294 33.100 31.823 -0.028 0.000 0.996 59 V HN 0.745 nan 8.190 nan 0.000 0.426 60 L N 4.919 126.099 121.223 -0.073 0.000 2.325 60 L HA 0.697 5.037 4.340 0.000 0.000 0.279 60 L C -0.070 176.815 176.870 0.024 0.000 1.054 60 L CA -0.452 54.316 54.840 -0.120 0.000 0.804 60 L CB 1.589 43.383 42.059 -0.442 0.000 1.200 60 L HN 0.774 nan 8.230 nan 0.000 0.436 61 D N -0.950 119.542 120.400 0.153 0.000 2.689 61 D HA 0.197 4.837 4.640 0.000 0.000 0.255 61 D C 0.170 176.542 176.300 0.120 0.000 1.113 61 D CA -0.623 53.447 54.000 0.117 0.000 1.115 61 D CB 0.571 41.440 40.800 0.115 0.000 1.334 61 D HN 0.278 nan 8.370 nan 0.000 0.621 62 D N -1.318 119.092 120.400 0.017 0.000 2.144 62 D HA -0.145 4.495 4.640 0.000 0.000 0.199 62 D C 1.694 178.004 176.300 0.017 0.000 0.984 62 D CA 1.150 55.135 54.000 -0.024 0.000 0.834 62 D CB -0.182 40.544 40.800 -0.124 0.000 0.955 62 D HN 0.394 nan 8.370 nan 0.000 0.465 63 H N -0.426 118.715 119.070 0.119 0.000 2.353 63 H HA -0.148 4.408 4.556 0.000 0.000 0.300 63 H C 2.008 177.383 175.328 0.079 0.000 1.090 63 H CA 0.926 57.035 56.048 0.101 0.000 1.327 63 H CB -0.657 29.187 29.762 0.138 0.000 1.383 63 H HN 0.312 nan 8.280 nan 0.000 0.508 64 Y N 1.934 122.288 120.300 0.089 0.000 2.097 64 Y HA -0.227 4.323 4.550 -0.000 0.000 0.282 64 Y C 2.673 178.531 175.900 -0.069 0.000 1.152 64 Y CA 1.644 59.673 58.100 -0.118 0.000 1.136 64 Y CB -0.085 38.214 38.460 -0.268 0.000 0.975 64 Y HN -0.044 nan 8.280 nan 0.000 0.498 65 R N 0.087 120.669 120.500 0.135 0.000 2.120 65 R HA -0.151 4.189 4.340 0.000 0.000 0.234 65 R C 1.716 177.998 176.300 -0.029 0.000 1.123 65 R CA 1.419 57.544 56.100 0.041 0.000 0.975 65 R CB -0.286 30.067 30.300 0.088 0.000 0.866 65 R HN 0.453 nan 8.270 nan 0.000 0.446 66 D N 0.040 120.441 120.400 0.002 0.000 2.097 66 D HA -0.103 4.537 4.640 0.000 0.000 0.197 66 D C 1.999 178.281 176.300 -0.031 0.000 0.984 66 D CA 1.014 55.017 54.000 0.005 0.000 0.826 66 D CB -0.193 40.639 40.800 0.054 0.000 0.973 66 D HN -0.008 nan 8.370 nan 0.000 0.460 67 V N 1.399 121.273 119.914 -0.066 0.000 2.343 67 V HA -0.209 3.911 4.120 0.000 0.000 0.247 67 V C 2.502 178.520 176.094 -0.125 0.000 1.051 67 V CA 1.008 63.251 62.300 -0.095 0.000 1.036 67 V CB -0.470 31.262 31.823 -0.153 0.000 0.654 67 V HN 0.123 nan 8.190 nan 0.000 0.451 68 L N 0.697 121.777 121.223 -0.237 0.000 2.012 68 L HA -0.215 4.125 4.340 0.000 0.000 0.210 68 L C 2.432 179.237 176.870 -0.108 0.000 1.073 68 L CA 2.341 57.045 54.840 -0.225 0.000 0.748 68 L CB -0.867 41.000 42.059 -0.320 0.000 0.891 68 L HN 0.299 nan 8.230 nan 0.000 0.431 69 K N -0.570 119.783 120.400 -0.077 0.000 2.103 69 K HA -0.219 4.101 4.320 0.000 0.000 0.207 69 K C 1.914 178.500 176.600 -0.024 0.000 1.048 69 K CA 1.912 58.176 56.287 -0.039 0.000 0.930 69 K CB -0.107 32.380 32.500 -0.023 0.000 0.716 69 K HN 0.544 nan 8.250 nan 0.000 0.444 70 E N 0.018 120.207 120.200 -0.018 0.000 2.107 70 E HA -0.138 4.212 4.350 0.000 0.000 0.191 70 E C 2.051 178.654 176.600 0.004 0.000 0.982 70 E CA 1.235 57.636 56.400 0.002 0.000 0.809 70 E CB -0.014 29.698 29.700 0.019 0.000 0.756 70 E HN 0.353 nan 8.360 nan 0.000 0.459 71 M N 0.563 120.163 119.600 -0.001 0.000 2.132 71 M HA -0.143 4.337 4.480 0.000 0.000 0.263 71 M C 2.098 178.381 176.300 -0.028 0.000 1.065 71 M CA 1.379 56.675 55.300 -0.006 0.000 1.122 71 M CB -0.076 32.521 32.600 -0.005 0.000 1.365 71 M HN -0.070 nan 8.290 nan 0.000 0.411 72 K N 0.302 120.683 120.400 -0.033 0.000 2.097 72 K HA -0.071 4.249 4.320 0.000 0.000 0.205 72 K C 2.109 178.699 176.600 -0.017 0.000 1.050 72 K CA 1.345 57.615 56.287 -0.028 0.000 0.938 72 K CB -0.225 32.258 32.500 -0.029 0.000 0.718 72 K HN 0.292 nan 8.250 nan 0.000 0.442 73 A N 1.898 124.710 122.820 -0.013 0.000 1.902 73 A HA -0.170 4.150 4.320 0.000 0.000 0.217 73 A C 1.956 179.534 177.584 -0.010 0.000 1.181 73 A CA 1.387 53.419 52.037 -0.008 0.000 0.623 73 A CB -0.179 18.819 19.000 -0.004 0.000 0.818 73 A HN 0.060 nan 8.150 nan 0.000 0.443 74 K N -0.176 120.215 120.400 -0.014 0.000 2.057 74 K HA -0.033 4.287 4.320 0.000 0.000 0.206 74 K C 2.256 178.840 176.600 -0.027 0.000 1.050 74 K CA 1.315 57.589 56.287 -0.023 0.000 0.935 74 K CB -0.744 31.736 32.500 -0.033 0.000 0.715 74 K HN 0.443 nan 8.250 nan 0.000 0.439 75 A N 1.023 123.827 122.820 -0.026 0.000 1.972 75 A HA -0.106 4.214 4.320 0.000 0.000 0.219 75 A C 2.202 179.783 177.584 -0.005 0.000 1.169 75 A CA 1.734 53.762 52.037 -0.016 0.000 0.635 75 A CB -0.431 18.566 19.000 -0.004 0.000 0.810 75 A HN 0.226 nan 8.150 nan 0.000 0.446 76 S N -0.352 115.345 115.700 -0.004 0.000 2.547 76 S HA -0.079 4.391 4.470 0.000 0.000 0.235 76 S C 1.794 176.393 174.600 -0.002 0.000 0.980 76 S CA 1.468 59.668 58.200 0.000 0.000 0.941 76 S CB -0.422 62.777 63.200 -0.000 0.000 0.763 76 S HN 0.899 nan 8.310 nan 0.000 0.532 77 T N -1.305 113.244 114.554 -0.008 0.000 3.086 77 T HA 0.263 4.613 4.350 0.000 0.000 0.250 77 T C 0.371 175.065 174.700 -0.011 0.000 1.074 77 T CA -0.186 61.909 62.100 -0.009 0.000 0.988 77 T CB -0.111 68.749 68.868 -0.012 0.000 0.988 77 T HN 0.002 nan 8.240 nan 0.000 0.530 78 V N 1.889 121.795 119.914 -0.012 0.000 2.481 78 V HA 0.476 4.596 4.120 0.000 0.000 0.286 78 V C -0.063 176.028 176.094 -0.005 0.000 1.042 78 V CA -0.930 61.361 62.300 -0.015 0.000 0.928 78 V CB 1.519 33.328 31.823 -0.023 0.000 0.986 78 V HN 0.377 nan 8.190 nan 0.000 0.462 79 K N 3.611 124.007 120.400 -0.006 0.000 2.413 79 K HA 0.782 5.102 4.320 0.000 0.000 0.257 79 K C -0.758 175.842 176.600 -0.001 0.000 0.946 79 K CA -0.412 55.876 56.287 0.001 0.000 0.823 79 K CB 1.617 34.119 32.500 0.003 0.000 1.109 79 K HN 0.822 nan 8.250 nan 0.000 0.427 80 A N 3.944 126.766 122.820 0.004 0.000 2.355 80 A HA 0.517 4.837 4.320 0.000 0.000 0.324 80 A C -1.144 176.451 177.584 0.019 0.000 1.117 80 A CA -0.923 51.116 52.037 0.004 0.000 0.785 80 A CB 0.954 19.948 19.000 -0.009 0.000 1.254 80 A HN 0.844 nan 8.150 nan 0.000 0.453 81 K N 1.145 121.560 120.400 0.026 0.000 2.123 81 K HA 0.700 5.020 4.320 0.000 0.000 0.248 81 K C -1.053 175.573 176.600 0.045 0.000 0.969 81 K CA -0.724 55.582 56.287 0.032 0.000 0.882 81 K CB 1.303 33.820 32.500 0.029 0.000 1.080 81 K HN 0.396 nan 8.250 nan 0.000 0.441 82 L N 2.707 123.954 121.223 0.039 0.000 2.331 82 L HA 0.236 4.576 4.340 0.000 0.000 0.278 82 L C -0.858 176.012 176.870 -0.000 0.000 1.106 82 L CA -0.506 54.357 54.840 0.038 0.000 0.824 82 L CB 0.694 42.776 42.059 0.037 0.000 1.142 82 L HN 0.643 nan 8.230 nan 0.000 0.443 83 L N 3.932 125.151 121.223 -0.007 0.000 2.371 83 L HA 0.400 4.740 4.340 0.000 0.000 0.272 83 L C 0.408 177.209 176.870 -0.115 0.000 1.124 83 L CA 0.442 55.261 54.840 -0.035 0.000 0.816 83 L CB 1.313 43.365 42.059 -0.012 0.000 1.129 83 L HN 0.873 nan 8.230 nan 0.000 0.448 84 S N 2.050 117.687 115.700 -0.105 0.000 2.603 84 S HA 0.226 4.696 4.470 0.000 0.000 0.268 84 S C 1.310 175.824 174.600 -0.143 0.000 1.317 84 S CA -0.665 57.458 58.200 -0.129 0.000 1.012 84 S CB 1.061 64.207 63.200 -0.089 0.000 0.926 84 S HN 0.383 nan 8.310 nan 0.000 0.539 85 V N 2.301 122.127 119.914 -0.147 0.000 2.324 85 V HA -0.225 3.895 4.120 0.000 0.000 0.250 85 V C 2.944 178.967 176.094 -0.119 0.000 1.060 85 V CA 2.296 64.515 62.300 -0.135 0.000 1.042 85 V CB -1.317 30.443 31.823 -0.104 0.000 0.650 85 V HN 1.024 nan 8.190 nan 0.000 0.450 86 E N 0.814 120.952 120.200 -0.103 0.000 2.051 86 E HA -0.291 4.059 4.350 0.000 0.000 0.192 86 E C 1.929 178.466 176.600 -0.105 0.000 0.991 86 E CA 1.801 58.143 56.400 -0.096 0.000 0.799 86 E CB -0.519 29.135 29.700 -0.077 0.000 0.748 86 E HN 0.733 nan 8.360 nan 0.000 0.449 87 E N 1.229 121.364 120.200 -0.108 0.000 2.085 87 E HA -0.139 4.211 4.350 0.000 0.000 0.194 87 E C 2.185 178.676 176.600 -0.182 0.000 0.994 87 E CA 1.353 57.676 56.400 -0.128 0.000 0.801 87 E CB -0.197 29.440 29.700 -0.105 0.000 0.743 87 E HN 0.432 nan 8.360 nan 0.000 0.453 88 A N 0.722 123.442 122.820 -0.168 0.000 1.898 88 A HA -0.189 4.131 4.320 0.000 0.000 0.216 88 A C 2.430 179.917 177.584 -0.162 0.000 1.181 88 A CA 1.188 53.116 52.037 -0.181 0.000 0.620 88 A CB -0.855 18.070 19.000 -0.124 0.000 0.819 88 A HN 0.368 nan 8.150 nan 0.000 0.442 89 C N -0.649 118.575 119.300 -0.127 0.000 2.413 89 C HA -0.078 4.382 4.460 0.000 0.000 0.276 89 C C 2.674 177.593 174.990 -0.118 0.000 1.248 89 C CA 1.588 60.542 59.018 -0.106 0.000 1.742 89 C CB -0.866 26.815 27.740 -0.099 0.000 2.017 89 C HN 0.703 nan 8.230 nan 0.000 0.481 90 K N 0.976 121.298 120.400 -0.130 0.000 2.280 90 K HA -0.029 4.291 4.320 0.000 0.000 0.202 90 K C 1.426 177.931 176.600 -0.157 0.000 1.047 90 K CA 1.353 57.567 56.287 -0.122 0.000 0.942 90 K CB -0.482 31.946 32.500 -0.119 0.000 0.739 90 K HN 0.513 nan 8.250 nan 0.000 0.457 91 L N 0.439 121.517 121.223 -0.241 0.000 2.591 91 L HA 0.088 4.428 4.340 0.000 0.000 0.228 91 L C 0.106 176.854 176.870 -0.203 0.000 1.133 91 L CA -0.026 54.611 54.840 -0.339 0.000 0.880 91 L CB -0.063 41.676 42.059 -0.533 0.000 1.033 91 L HN -0.028 nan 8.230 nan 0.000 0.450 92 T N 1.523 115.994 114.554 -0.138 0.000 2.832 92 T HA 0.208 4.558 4.350 0.000 0.000 0.296 92 T C -2.315 172.289 174.700 -0.160 0.000 0.968 92 T CA -1.102 60.931 62.100 -0.111 0.000 1.107 92 T CB 1.059 69.877 68.868 -0.083 0.000 0.916 92 T HN -0.154 nan 8.240 nan 0.000 0.517 93 P HA 0.138 nan 4.420 nan 0.000 0.267 93 P C -1.905 175.195 177.300 -0.333 0.000 1.205 93 P CA -1.266 61.651 63.100 -0.306 0.000 0.765 93 P CB 0.252 31.883 31.700 -0.115 0.000 0.828 94 P HA -0.167 nan 4.420 nan 0.000 0.218 94 P C 0.153 177.243 177.300 -0.351 0.000 1.146 94 P CA 1.636 64.516 63.100 -0.367 0.000 0.813 94 P CB -0.119 31.371 31.700 -0.350 0.000 0.778 95 H N -2.696 116.253 119.070 -0.202 0.000 2.469 95 H HA 0.296 4.852 4.556 0.000 0.000 0.286 95 H C 0.346 175.610 175.328 -0.106 0.000 1.106 95 H CA -0.453 55.520 56.048 -0.124 0.000 1.055 95 H CB -0.333 29.369 29.762 -0.100 0.000 1.618 95 H HN -0.061 nan 8.280 nan 0.000 0.559 96 S N 1.173 116.851 115.700 -0.037 0.000 2.560 96 S HA 0.395 4.865 4.470 0.000 0.000 0.284 96 S C 0.735 175.318 174.600 -0.028 0.000 1.327 96 S CA -0.482 57.694 58.200 -0.041 0.000 1.055 96 S CB 0.175 63.349 63.200 -0.043 0.000 0.868 96 S HN 0.565 nan 8.310 nan 0.000 0.506 97 A N 4.796 127.600 122.820 -0.026 0.000 2.548 97 A HA 0.216 4.536 4.320 0.000 0.000 0.247 97 A C 0.595 178.183 177.584 0.006 0.000 1.067 97 A CA -0.101 51.941 52.037 0.009 0.000 0.757 97 A CB -0.276 18.765 19.000 0.069 0.000 0.996 97 A HN 0.877 nan 8.150 nan 0.000 0.504 98 K N 2.222 122.604 120.400 -0.030 0.000 2.336 98 K HA 0.269 4.589 4.320 0.000 0.000 0.262 98 K C 0.348 176.853 176.600 -0.158 0.000 0.992 98 K CA 0.201 56.433 56.287 -0.092 0.000 0.927 98 K CB 0.328 32.769 32.500 -0.098 0.000 0.956 98 K HN 0.457 nan 8.250 nan 0.000 0.495 99 S N 0.267 115.759 115.700 -0.347 0.000 2.584 99 S HA 0.094 4.564 4.470 0.000 0.000 0.273 99 S C 0.326 174.651 174.600 -0.459 0.000 1.311 99 S CA -0.675 57.250 58.200 -0.459 0.000 1.034 99 S CB 0.672 63.272 63.200 -1.000 0.000 0.939 99 S HN 0.655 nan 8.310 nan 0.000 0.513 100 K N 2.514 122.587 120.400 -0.545 0.000 2.569 100 K HA 0.104 4.424 4.320 0.000 0.000 0.193 100 K C -0.571 175.537 176.600 -0.819 0.000 1.026 100 K CA 0.464 56.364 56.287 -0.644 0.000 1.093 100 K CB -0.077 31.990 32.500 -0.721 0.000 0.849 100 K HN 0.556 nan 8.250 nan 0.000 0.509 101 F N 0.358 120.102 119.950 -0.344 0.000 2.923 101 F HA 0.269 4.796 4.527 0.000 0.000 0.314 101 F C 0.939 176.614 175.800 -0.209 0.000 1.196 101 F CA -0.895 56.918 58.000 -0.311 0.000 1.320 101 F CB 0.765 39.441 39.000 -0.540 0.000 0.953 101 F HN 0.054 nan 8.300 nan 0.000 0.505 102 G N 1.057 109.810 108.800 -0.079 0.000 2.248 102 G HA2 -0.251 3.709 3.960 0.000 0.000 0.263 102 G HA3 -0.251 3.709 3.960 0.000 0.000 0.263 102 G C -0.515 174.469 174.900 0.139 0.000 1.082 102 G CA 0.289 45.404 45.100 0.024 0.000 0.863 102 G HN 0.700 nan 8.290 nan 0.000 0.495 103 Y N -3.510 116.769 120.300 -0.036 0.000 2.732 103 Y HA 0.660 5.210 4.550 0.000 0.000 0.342 103 Y C 0.173 176.056 175.900 -0.029 0.000 1.203 103 Y CA -0.908 57.173 58.100 -0.031 0.000 1.092 103 Y CB 0.266 38.711 38.460 -0.024 0.000 1.345 103 Y HN 0.948 nan 8.280 nan 0.000 0.458 104 G N -0.011 108.894 108.800 0.175 0.000 3.105 104 G HA2 0.590 4.550 3.960 0.000 0.000 0.277 104 G HA3 0.590 4.550 3.960 0.000 0.000 0.277 104 G C 0.265 175.227 174.900 0.103 0.000 1.375 104 G CA -0.717 44.418 45.100 0.059 0.000 0.962 104 G HN 1.338 nan 8.290 nan 0.000 0.541 105 A N -0.244 122.582 122.820 0.010 0.000 1.917 105 A HA -0.098 4.222 4.320 0.000 0.000 0.219 105 A C 2.154 179.705 177.584 -0.054 0.000 1.182 105 A CA 2.442 54.464 52.037 -0.026 0.000 0.633 105 A CB -0.595 18.350 19.000 -0.093 0.000 0.819 105 A HN 0.635 nan 8.150 nan 0.000 0.448 106 K N -0.537 119.815 120.400 -0.080 0.000 2.063 106 K HA -0.223 4.097 4.320 0.000 0.000 0.208 106 K C 1.462 178.032 176.600 -0.050 0.000 1.048 106 K CA 1.838 58.071 56.287 -0.090 0.000 0.928 106 K CB -0.264 32.177 32.500 -0.098 0.000 0.713 106 K HN 0.489 nan 8.250 nan 0.000 0.442 107 D N 0.207 120.603 120.400 -0.007 0.000 2.117 107 D HA -0.147 4.493 4.640 0.000 0.000 0.197 107 D C 2.029 178.304 176.300 -0.041 0.000 0.987 107 D CA 1.179 55.175 54.000 -0.008 0.000 0.829 107 D CB -0.168 40.663 40.800 0.053 0.000 0.961 107 D HN 0.071 nan 8.370 nan 0.000 0.460 108 V N 1.551 121.463 119.914 -0.004 0.000 2.255 108 V HA -0.257 3.863 4.120 0.000 0.000 0.247 108 V C 2.530 178.584 176.094 -0.067 0.000 1.051 108 V CA 1.664 63.943 62.300 -0.036 0.000 1.018 108 V CB -0.407 31.433 31.823 0.029 0.000 0.641 108 V HN 0.143 nan 8.190 nan 0.000 0.445 109 R N 0.375 120.834 120.500 -0.068 0.000 2.096 109 R HA -0.117 4.223 4.340 0.000 0.000 0.235 109 R C 1.871 178.128 176.300 -0.072 0.000 1.127 109 R CA 1.454 57.506 56.100 -0.080 0.000 0.968 109 R CB -0.431 29.811 30.300 -0.098 0.000 0.861 109 R HN 0.531 nan 8.270 nan 0.000 0.440 110 N N 0.891 119.550 118.700 -0.068 0.000 2.521 110 N HA 0.023 4.763 4.740 0.000 0.000 0.188 110 N C 0.246 175.714 175.510 -0.071 0.000 1.146 110 N CA 0.407 53.420 53.050 -0.062 0.000 0.893 110 N CB 0.202 38.656 38.487 -0.055 0.000 0.975 110 N HN 0.168 nan 8.380 nan 0.000 0.451 111 L N 0.692 121.863 121.223 -0.086 0.000 3.608 111 L HA -0.204 4.136 4.340 0.000 0.000 0.422 111 L C 0.223 177.026 176.870 -0.113 0.000 1.260 111 L CA -0.151 54.626 54.840 -0.104 0.000 0.889 111 L CB -2.281 39.724 42.059 -0.089 0.000 1.821 111 L HN 0.061 nan 8.230 nan 0.000 0.884 112 S N -0.744 114.884 115.700 -0.120 0.000 2.549 112 S HA 0.173 4.643 4.470 0.000 0.000 0.286 112 S C 1.462 175.970 174.600 -0.154 0.000 1.314 112 S CA 0.382 58.511 58.200 -0.119 0.000 1.062 112 S CB 1.541 64.672 63.200 -0.115 0.000 0.865 112 S HN 0.354 nan 8.310 nan 0.000 0.498 113 S N 3.678 119.304 115.700 -0.123 0.000 2.447 113 S HA -0.065 4.405 4.470 0.000 0.000 0.233 113 S C 1.754 176.263 174.600 -0.152 0.000 1.006 113 S CA 1.095 59.215 58.200 -0.133 0.000 0.957 113 S CB -0.223 62.924 63.200 -0.088 0.000 0.773 113 S HN 0.829 nan 8.310 nan 0.000 0.507 114 K N 1.462 121.777 120.400 -0.142 0.000 2.057 114 K HA 0.002 4.322 4.320 0.000 0.000 0.206 114 K C 2.165 178.590 176.600 -0.293 0.000 1.050 114 K CA 1.148 57.351 56.287 -0.140 0.000 0.935 114 K CB -0.307 32.145 32.500 -0.080 0.000 0.715 114 K HN 0.277 nan 8.250 nan 0.000 0.439 115 A N 0.577 123.113 122.820 -0.472 0.000 1.897 115 A HA -0.063 4.257 4.320 0.000 0.000 0.215 115 A C 2.213 179.490 177.584 -0.511 0.000 1.181 115 A CA 1.398 52.891 52.037 -0.906 0.000 0.620 115 A CB -0.573 17.975 19.000 -0.753 0.000 0.821 115 A HN 0.161 nan 8.150 nan 0.000 0.443 116 V N 0.977 120.670 119.914 -0.367 0.000 2.343 116 V HA -0.262 3.858 4.120 0.000 0.000 0.247 116 V C 2.427 178.235 176.094 -0.476 0.000 1.051 116 V CA 2.343 64.405 62.300 -0.396 0.000 1.036 116 V CB -1.126 30.476 31.823 -0.369 0.000 0.654 116 V HN 0.771 nan 8.190 nan 0.000 0.451 117 N N -0.262 118.254 118.700 -0.307 0.000 2.142 117 N HA -0.230 4.510 4.740 0.000 0.000 0.186 117 N C 2.005 177.465 175.510 -0.083 0.000 1.023 117 N CA 1.687 54.628 53.050 -0.181 0.000 0.852 117 N CB -0.354 38.085 38.487 -0.079 0.000 0.998 117 N HN 0.649 nan 8.380 nan 0.000 0.424 118 H N 0.135 119.112 119.070 -0.156 0.000 2.389 118 H HA -0.018 4.538 4.556 0.000 0.000 0.299 118 H C 1.929 177.251 175.328 -0.011 0.000 1.081 118 H CA 1.407 57.419 56.048 -0.060 0.000 1.345 118 H CB -0.048 29.741 29.762 0.045 0.000 1.393 118 H HN 0.288 nan 8.280 nan 0.000 0.520 119 I N 0.107 120.610 120.570 -0.112 0.000 2.286 119 I HA -0.285 3.885 4.170 0.000 0.000 0.248 119 I C 2.357 178.504 176.117 0.051 0.000 1.115 119 I CA 1.236 62.504 61.300 -0.053 0.000 1.392 119 I CB -0.475 37.498 38.000 -0.045 0.000 1.065 119 I HN 0.387 nan 8.210 nan 0.000 0.418 120 H N -0.035 119.000 119.070 -0.058 0.000 2.387 120 H HA -0.140 4.416 4.556 0.000 0.000 0.299 120 H C 2.583 177.927 175.328 0.026 0.000 1.090 120 H CA 1.374 57.422 56.048 -0.001 0.000 1.332 120 H CB 0.128 29.872 29.762 -0.031 0.000 1.386 120 H HN 0.390 nan 8.280 nan 0.000 0.516 121 S N 0.374 116.105 115.700 0.051 0.000 2.383 121 S HA -0.113 4.357 4.470 0.000 0.000 0.227 121 S C 2.277 176.824 174.600 -0.088 0.000 1.026 121 S CA 1.122 59.298 58.200 -0.039 0.000 0.981 121 S CB -0.741 62.395 63.200 -0.108 0.000 0.818 121 S HN 0.116 nan 8.310 nan 0.000 0.472 122 V N 0.844 120.654 119.914 -0.173 0.000 2.358 122 V HA -0.117 4.003 4.120 0.000 0.000 0.246 122 V C 2.238 178.343 176.094 0.018 0.000 1.047 122 V CA 1.733 63.954 62.300 -0.131 0.000 1.035 122 V CB -1.052 30.681 31.823 -0.151 0.000 0.658 122 V HN 0.702 nan 8.190 nan 0.000 0.452 123 W N 1.501 122.754 121.300 -0.079 0.000 2.354 123 W HA -0.234 4.426 4.660 -0.000 0.000 0.315 123 W C 2.539 179.025 176.519 -0.056 0.000 1.206 123 W CA 2.327 59.644 57.345 -0.046 0.000 1.290 123 W CB -0.188 29.262 29.460 -0.018 0.000 1.152 123 W HN 0.239 nan 8.180 nan 0.000 0.489 124 K N 0.642 121.099 120.400 0.094 0.000 2.044 124 K HA -0.296 4.024 4.320 0.000 0.000 0.210 124 K C 1.764 178.297 176.600 -0.110 0.000 1.049 124 K CA 2.407 58.682 56.287 -0.019 0.000 0.927 124 K CB -0.700 31.816 32.500 0.027 0.000 0.713 124 K HN 0.010 nan 8.250 nan 0.000 0.443 125 D N 0.290 120.633 120.400 -0.094 0.000 2.123 125 D HA -0.168 4.472 4.640 0.000 0.000 0.196 125 D C 1.983 178.193 176.300 -0.151 0.000 0.992 125 D CA 1.214 55.151 54.000 -0.105 0.000 0.833 125 D CB 0.001 40.746 40.800 -0.091 0.000 0.954 125 D HN 0.256 nan 8.370 nan 0.000 0.455 126 L N -0.116 120.977 121.223 -0.217 0.000 2.083 126 L HA -0.153 4.187 4.340 0.000 0.000 0.209 126 L C 2.511 179.200 176.870 -0.302 0.000 1.083 126 L CA 0.646 55.320 54.840 -0.277 0.000 0.752 126 L CB -0.396 41.427 42.059 -0.394 0.000 0.899 126 L HN 0.232 nan 8.230 nan 0.000 0.433 127 L N -0.698 120.310 121.223 -0.357 0.000 2.093 127 L HA -0.182 4.158 4.340 0.000 0.000 0.208 127 L C 2.337 179.108 176.870 -0.165 0.000 1.085 127 L CA 1.332 56.003 54.840 -0.283 0.000 0.755 127 L CB -0.430 41.467 42.059 -0.270 0.000 0.904 127 L HN 0.311 nan 8.230 nan 0.000 0.435 128 E N -1.028 119.090 120.200 -0.135 0.000 2.250 128 E HA -0.069 4.281 4.350 0.000 0.000 0.192 128 E C 0.209 176.761 176.600 -0.080 0.000 0.986 128 E CA 0.231 56.577 56.400 -0.090 0.000 0.849 128 E CB 0.328 29.986 29.700 -0.070 0.000 0.797 128 E HN 0.199 nan 8.360 nan 0.000 0.482 129 D N 0.081 120.426 120.400 -0.091 0.000 2.492 129 D HA 0.060 4.700 4.640 0.000 0.000 0.248 129 D C -0.028 176.222 176.300 -0.085 0.000 1.101 129 D CA -0.298 53.658 54.000 -0.074 0.000 0.840 129 D CB 1.527 42.289 40.800 -0.063 0.000 1.209 129 D HN -0.044 nan 8.370 nan 0.000 0.524 130 T N 0.266 114.778 114.554 -0.070 0.000 3.129 130 T HA 0.241 4.591 4.350 0.000 0.000 0.267 130 T C 0.920 175.589 174.700 -0.052 0.000 1.018 130 T CA -0.080 61.978 62.100 -0.070 0.000 0.903 130 T CB 0.170 69.001 68.868 -0.063 0.000 1.067 130 T HN 0.144 nan 8.240 nan 0.000 0.549 131 V N 0.118 120.006 119.914 -0.043 0.000 3.103 131 V HA 0.192 4.312 4.120 0.000 0.000 0.229 131 V C 0.997 177.081 176.094 -0.017 0.000 1.304 131 V CA 0.228 62.512 62.300 -0.027 0.000 1.298 131 V CB -0.141 31.668 31.823 -0.022 0.000 1.093 131 V HN 0.426 nan 8.190 nan 0.000 0.489 132 T N 4.420 118.963 114.554 -0.018 0.000 2.778 132 T HA 0.089 4.439 4.350 0.000 0.000 0.282 132 T C -2.392 172.308 174.700 0.000 0.000 0.983 132 T CA -0.146 61.951 62.100 -0.004 0.000 1.193 132 T CB 0.243 69.106 68.868 -0.008 0.000 0.938 132 T HN 0.193 nan 8.240 nan 0.000 0.523 133 P HA 0.136 nan 4.420 nan 0.000 0.264 133 P C -0.059 177.244 177.300 0.004 0.000 1.193 133 P CA -0.055 63.061 63.100 0.027 0.000 0.763 133 P CB 0.326 32.090 31.700 0.106 0.000 0.810 134 I N 2.529 123.084 120.570 -0.024 0.000 2.428 134 I HA 0.122 4.292 4.170 0.000 0.000 0.289 134 I C 0.996 177.099 176.117 -0.024 0.000 1.019 134 I CA -0.311 60.979 61.300 -0.016 0.000 1.351 134 I CB 0.668 38.650 38.000 -0.030 0.000 1.412 134 I HN 0.338 nan 8.210 nan 0.000 0.513 135 D N 4.260 124.658 120.400 -0.003 0.000 2.399 135 D HA 0.242 4.882 4.640 0.000 0.000 0.241 135 D C -0.380 175.883 176.300 -0.062 0.000 1.133 135 D CA 0.207 54.191 54.000 -0.028 0.000 0.890 135 D CB 0.820 41.615 40.800 -0.008 0.000 1.201 135 D HN 0.633 nan 8.370 nan 0.000 0.432 136 T N -0.903 113.587 114.554 -0.106 0.000 2.900 136 T HA 0.564 4.914 4.350 0.000 0.000 0.303 136 T C -0.506 174.050 174.700 -0.240 0.000 1.142 136 T CA -0.988 61.011 62.100 -0.169 0.000 1.007 136 T CB 1.532 70.332 68.868 -0.114 0.000 1.156 136 T HN 0.220 nan 8.240 nan 0.000 0.490 137 T N 2.369 116.639 114.554 -0.474 0.000 2.829 137 T HA 0.595 4.945 4.350 0.000 0.000 0.282 137 T C -0.384 174.130 174.700 -0.310 0.000 0.990 137 T CA -0.612 61.205 62.100 -0.472 0.000 1.028 137 T CB 0.729 69.132 68.868 -0.776 0.000 0.951 137 T HN 0.727 nan 8.240 nan 0.000 0.460 138 I N 4.288 124.816 120.570 -0.071 0.000 2.378 138 I HA 0.519 4.689 4.170 0.000 0.000 0.291 138 I C -0.975 175.214 176.117 0.120 0.000 0.992 138 I CA -0.781 60.564 61.300 0.075 0.000 1.154 138 I CB 0.675 38.751 38.000 0.126 0.000 1.315 138 I HN 0.414 nan 8.210 nan 0.000 0.448 139 M N 6.167 125.882 119.600 0.193 0.000 2.658 139 M HA 0.539 5.019 4.480 0.000 0.000 0.295 139 M C -0.681 175.697 176.300 0.130 0.000 1.248 139 M CA -0.668 54.736 55.300 0.173 0.000 0.843 139 M CB 1.832 34.581 32.600 0.248 0.000 1.749 139 M HN 0.579 nan 8.290 nan 0.000 0.464 140 A N 1.705 124.580 122.820 0.092 0.000 2.260 140 A HA 0.549 4.869 4.320 0.000 0.000 0.314 140 A C -0.221 177.403 177.584 0.066 0.000 1.257 140 A CA -0.605 51.474 52.037 0.069 0.000 0.871 140 A CB 0.321 19.349 19.000 0.047 0.000 1.166 140 A HN 0.753 nan 8.150 nan 0.000 0.522 141 K N 1.854 122.293 120.400 0.066 0.000 2.295 141 K HA 0.100 4.420 4.320 0.000 0.000 0.270 141 K C -0.550 176.060 176.600 0.016 0.000 1.011 141 K CA 0.223 56.534 56.287 0.040 0.000 0.953 141 K CB 0.522 33.050 32.500 0.047 0.000 0.956 141 K HN 0.765 nan 8.250 nan 0.000 0.477 142 N N 2.666 121.350 118.700 -0.026 0.000 2.589 142 N HA 0.093 4.833 4.740 0.000 0.000 0.232 142 N C -1.236 174.159 175.510 -0.192 0.000 1.015 142 N CA -0.323 52.680 53.050 -0.080 0.000 0.931 142 N CB 0.924 39.378 38.487 -0.056 0.000 1.150 142 N HN 0.392 nan 8.380 nan 0.000 0.512 143 E N 1.012 121.061 120.200 -0.252 0.000 2.256 143 E HA 0.398 4.748 4.350 0.000 0.000 0.267 143 E C -0.798 175.305 176.600 -0.827 0.000 0.892 143 E CA -0.960 55.145 56.400 -0.491 0.000 0.775 143 E CB 2.619 32.073 29.700 -0.409 0.000 1.207 143 E HN 0.089 nan 8.360 nan 0.000 0.420 144 V N 3.454 122.758 119.914 -1.017 0.000 2.439 144 V HA 0.417 4.537 4.120 0.000 0.000 0.282 144 V C -0.688 174.691 176.094 -1.192 0.000 1.039 144 V CA -0.104 61.577 62.300 -1.032 0.000 0.913 144 V CB 0.010 31.333 31.823 -0.835 0.000 0.983 144 V HN 0.511 nan 8.190 nan 0.000 0.460 145 F N 2.333 121.880 119.950 -0.671 0.000 2.706 145 F HA 0.680 5.207 4.527 -0.000 0.000 0.328 145 F C 0.045 175.607 175.800 -0.396 0.000 1.123 145 F CA -0.864 56.824 58.000 -0.520 0.000 0.978 145 F CB 1.353 40.037 39.000 -0.527 0.000 1.404 145 F HN 0.517 nan 8.300 nan 0.000 0.497 146 C N 2.304 121.692 119.300 0.146 0.000 2.456 146 C HA 0.823 5.283 4.460 0.000 0.000 0.325 146 C C -0.092 175.107 174.990 0.348 0.000 1.217 146 C CA -0.698 58.447 59.018 0.212 0.000 1.687 146 C CB 0.252 28.061 27.740 0.116 0.000 2.270 146 C HN 0.754 nan 8.230 nan 0.000 0.499 147 V N 4.332 124.457 119.914 0.352 0.000 3.332 147 V HA 0.404 4.524 4.120 0.000 0.000 0.305 147 V C 0.110 176.278 176.094 0.123 0.000 1.114 147 V CA 0.416 62.848 62.300 0.220 0.000 1.194 147 V CB 0.075 31.966 31.823 0.114 0.000 1.027 147 V HN 1.424 nan 8.190 nan 0.000 0.492 155 K N 2.215 122.638 120.400 0.039 0.000 2.130 155 K HA 0.529 4.849 4.320 0.000 0.000 0.268 155 K C -2.305 174.334 176.600 0.065 0.000 0.983 155 K CA -1.683 54.602 56.287 -0.004 0.000 0.893 155 K CB 1.511 33.922 32.500 -0.147 0.000 1.066 155 K HN 0.163 nan 8.250 nan 0.000 0.450 156 P HA 0.017 nan 4.420 nan 0.000 0.271 156 P C -0.507 176.839 177.300 0.077 0.000 1.218 156 P CA -0.336 62.791 63.100 0.045 0.000 0.780 156 P CB 0.935 32.640 31.700 0.008 0.000 0.901 157 A N 4.119 126.995 122.820 0.094 0.000 2.520 157 A HA 0.088 4.408 4.320 0.000 0.000 0.235 157 A C 0.683 178.319 177.584 0.087 0.000 1.065 157 A CA -0.053 52.050 52.037 0.111 0.000 0.764 157 A CB -0.231 18.820 19.000 0.086 0.000 1.002 157 A HN 0.501 nan 8.150 nan 0.000 0.502 158 R N 0.190 120.757 120.500 0.111 0.000 2.531 158 R HA 0.405 4.745 4.340 0.000 0.000 0.273 158 R C -1.109 175.248 176.300 0.096 0.000 1.070 158 R CA -0.657 55.506 56.100 0.105 0.000 1.112 158 R CB 0.351 30.728 30.300 0.127 0.000 1.049 158 R HN 0.478 nan 8.270 nan 0.000 0.508 159 L N 2.756 124.040 121.223 0.101 0.000 2.295 159 L HA 0.462 4.802 4.340 0.000 0.000 0.285 159 L C -0.036 176.927 176.870 0.155 0.000 1.035 159 L CA -0.130 54.777 54.840 0.112 0.000 0.806 159 L CB 1.218 43.329 42.059 0.087 0.000 1.214 159 L HN 0.527 nan 8.230 nan 0.000 0.426 160 I N 3.477 124.153 120.570 0.178 0.000 2.441 160 I HA 0.631 4.801 4.170 0.000 0.000 0.295 160 I C -1.177 175.129 176.117 0.316 0.000 0.994 160 I CA -0.638 60.797 61.300 0.224 0.000 1.144 160 I CB 1.698 39.807 38.000 0.183 0.000 1.314 160 I HN 0.242 nan 8.210 nan 0.000 0.445 161 V N 8.125 128.232 119.914 0.322 0.000 2.487 161 V HA 0.551 4.671 4.120 0.000 0.000 0.298 161 V C -0.808 175.505 176.094 0.364 0.000 1.028 161 V CA -0.464 62.001 62.300 0.274 0.000 0.860 161 V CB 1.346 33.281 31.823 0.187 0.000 0.991 161 V HN 0.626 nan 8.190 nan 0.000 0.427 162 F N 4.692 124.689 119.950 0.079 0.000 2.631 162 F HA 0.956 5.483 4.527 0.000 0.000 0.308 162 F C -3.132 172.710 175.800 0.070 0.000 1.097 162 F CA -2.748 55.301 58.000 0.081 0.000 0.952 162 F CB 1.666 40.709 39.000 0.072 0.000 1.307 162 F HN 0.309 nan 8.300 nan 0.000 0.450 163 P HA 0.222 nan 4.420 nan 0.000 0.284 163 P C -1.127 176.250 177.300 0.127 0.000 1.287 163 P CA -0.193 62.943 63.100 0.060 0.000 0.824 163 P CB 1.547 33.313 31.700 0.111 0.000 1.180 164 D N -0.640 119.821 120.400 0.102 0.000 2.378 164 D HA -0.069 4.571 4.640 0.000 0.000 0.238 164 D C 1.384 177.801 176.300 0.195 0.000 1.180 164 D CA -0.251 53.832 54.000 0.139 0.000 0.895 164 D CB 0.292 41.210 40.800 0.197 0.000 1.192 164 D HN 0.112 nan 8.370 nan 0.000 0.438 165 L N 3.267 124.586 121.223 0.159 0.000 2.051 165 L HA -0.036 4.304 4.340 0.000 0.000 0.214 165 L C 2.038 179.061 176.870 0.256 0.000 1.076 165 L CA 2.606 57.547 54.840 0.169 0.000 0.758 165 L CB -1.082 41.027 42.059 0.083 0.000 0.890 165 L HN 0.661 nan 8.230 nan 0.000 0.433 166 G N -1.284 107.736 108.800 0.367 0.000 2.418 166 G HA2 -0.205 3.755 3.960 0.000 0.000 0.217 166 G HA3 -0.205 3.755 3.960 0.000 0.000 0.217 166 G C 1.527 176.581 174.900 0.257 0.000 1.158 166 G CA 1.072 46.433 45.100 0.435 0.000 0.771 166 G HN 0.359 nan 8.290 nan 0.000 0.545 167 V N 0.780 120.832 119.914 0.229 0.000 2.358 167 V HA -0.160 3.961 4.120 0.000 0.000 0.246 167 V C 2.923 179.123 176.094 0.177 0.000 1.047 167 V CA 1.874 64.276 62.300 0.170 0.000 1.035 167 V CB -0.467 31.441 31.823 0.141 0.000 0.658 167 V HN 0.329 nan 8.190 nan 0.000 0.452 168 R N -0.253 120.357 120.500 0.185 0.000 2.105 168 R HA -0.134 4.206 4.340 0.000 0.000 0.239 168 R C 2.215 178.601 176.300 0.144 0.000 1.135 168 R CA 1.513 57.715 56.100 0.170 0.000 0.967 168 R CB -0.647 29.747 30.300 0.157 0.000 0.861 168 R HN 0.429 nan 8.270 nan 0.000 0.442 169 V N 0.323 120.321 119.914 0.139 0.000 2.427 169 V HA -0.268 3.852 4.120 0.000 0.000 0.248 169 V C 2.484 178.648 176.094 0.116 0.000 1.051 169 V CA 1.446 63.803 62.300 0.095 0.000 1.048 169 V CB -0.417 31.456 31.823 0.084 0.000 0.666 169 V HN 0.443 nan 8.190 nan 0.000 0.456 170 C N -0.053 119.360 119.300 0.189 0.000 2.425 170 C HA -0.131 4.329 4.460 0.000 0.000 0.277 170 C C 2.668 177.851 174.990 0.321 0.000 1.280 170 C CA 0.879 60.088 59.018 0.319 0.000 1.744 170 C CB -0.938 27.037 27.740 0.390 0.000 1.989 170 C HN 0.625 nan 8.230 nan 0.000 0.491 171 E N 0.857 121.199 120.200 0.238 0.000 2.058 171 E HA -0.239 4.111 4.350 0.000 0.000 0.194 171 E C 2.152 178.886 176.600 0.223 0.000 0.997 171 E CA 1.257 57.804 56.400 0.244 0.000 0.801 171 E CB -0.177 29.678 29.700 0.258 0.000 0.746 171 E HN 0.630 nan 8.360 nan 0.000 0.450 172 K N 0.328 120.830 120.400 0.171 0.000 2.063 172 K HA -0.132 4.188 4.320 0.000 0.000 0.208 172 K C 2.224 178.904 176.600 0.132 0.000 1.048 172 K CA 1.500 57.870 56.287 0.139 0.000 0.928 172 K CB -0.139 32.364 32.500 0.006 0.000 0.713 172 K HN 0.143 nan 8.250 nan 0.000 0.442 173 M N 0.099 119.750 119.600 0.084 0.000 2.117 173 M HA -0.148 4.332 4.480 0.000 0.000 0.262 173 M C 2.401 178.779 176.300 0.128 0.000 1.065 173 M CA 1.658 56.964 55.300 0.010 0.000 1.114 173 M CB -0.303 32.160 32.600 -0.228 0.000 1.361 173 M HN 0.212 nan 8.290 nan 0.000 0.408 174 A N -0.481 122.511 122.820 0.287 0.000 1.975 174 A HA 0.100 4.420 4.320 0.000 0.000 0.215 174 A C 1.802 179.483 177.584 0.162 0.000 1.170 174 A CA 0.984 53.208 52.037 0.311 0.000 0.656 174 A CB -0.112 19.107 19.000 0.366 0.000 0.821 174 A HN 0.488 nan 8.150 nan 0.000 0.449 175 L N -3.063 118.245 121.223 0.143 0.000 3.039 175 L HA 0.200 4.540 4.340 0.000 0.000 0.269 175 L C 1.776 178.676 176.870 0.051 0.000 1.169 175 L CA -0.012 54.851 54.840 0.038 0.000 0.986 175 L CB 0.029 42.088 42.059 -0.000 0.000 1.377 175 L HN 0.408 nan 8.230 nan 0.000 0.575 176 Y N 1.622 121.938 120.300 0.027 0.000 2.114 176 Y HA -0.346 4.204 4.550 -0.000 0.000 0.282 176 Y C 2.152 178.080 175.900 0.047 0.000 1.165 176 Y CA 2.323 60.449 58.100 0.044 0.000 1.148 176 Y CB 0.036 38.507 38.460 0.018 0.000 0.972 176 Y HN 0.235 nan 8.280 nan 0.000 0.504 177 D N -0.980 119.421 120.400 0.003 0.000 2.178 177 D HA -0.146 4.494 4.640 0.000 0.000 0.202 177 D C 2.150 178.372 176.300 -0.131 0.000 0.974 177 D CA 1.218 55.172 54.000 -0.077 0.000 0.841 177 D CB -0.086 40.733 40.800 0.030 0.000 0.953 177 D HN 0.262 nan 8.370 nan 0.000 0.478 178 V N 0.290 120.128 119.914 -0.128 0.000 2.270 178 V HA -0.195 3.925 4.120 0.000 0.000 0.245 178 V C 2.596 178.556 176.094 -0.224 0.000 1.043 178 V CA 1.685 63.878 62.300 -0.179 0.000 1.014 178 V CB -0.572 31.090 31.823 -0.267 0.000 0.645 178 V HN 0.328 nan 8.190 nan 0.000 0.447 179 V N -2.438 117.329 119.914 -0.243 0.000 3.241 179 V HA -0.054 4.066 4.120 0.000 0.000 0.269 179 V C 1.828 177.781 176.094 -0.235 0.000 1.151 179 V CA 1.979 64.148 62.300 -0.218 0.000 1.158 179 V CB -0.328 31.407 31.823 -0.147 0.000 0.764 179 V HN 0.442 nan 8.190 nan 0.000 0.508 180 S N -0.104 115.443 115.700 -0.254 0.000 2.517 180 S HA 0.113 4.583 4.470 0.000 0.000 0.214 180 S C 1.656 176.160 174.600 -0.160 0.000 0.991 180 S CA 0.939 59.005 58.200 -0.223 0.000 0.906 180 S CB 0.343 63.335 63.200 -0.347 0.000 0.789 180 S HN 0.789 nan 8.310 nan 0.000 0.513 181 T N 1.013 115.464 114.554 -0.171 0.000 3.057 181 T HA 0.278 4.628 4.350 0.000 0.000 0.254 181 T C 1.570 176.167 174.700 -0.172 0.000 0.965 181 T CA -0.257 61.760 62.100 -0.139 0.000 0.978 181 T CB -0.182 68.630 68.868 -0.094 0.000 1.169 181 T HN 0.146 nan 8.240 nan 0.000 0.489 182 L N 2.103 123.223 121.223 -0.172 0.000 2.012 182 L HA -0.017 4.323 4.340 0.000 0.000 0.210 182 L C -1.035 175.680 176.870 -0.257 0.000 1.073 182 L CA 1.703 56.449 54.840 -0.157 0.000 0.748 182 L CB -0.843 41.172 42.059 -0.074 0.000 0.891 182 L HN 0.116 nan 8.230 nan 0.000 0.431 183 P HA -0.275 nan 4.420 nan 0.000 0.215 183 P C 1.288 178.168 177.300 -0.701 0.000 1.163 183 P CA 1.761 64.443 63.100 -0.697 0.000 0.894 183 P CB -0.050 30.889 31.700 -1.268 0.000 0.791 184 Q N -0.071 119.349 119.800 -0.634 0.000 2.061 184 Q HA -0.152 4.188 4.340 0.000 0.000 0.204 184 Q C 1.842 177.715 176.000 -0.211 0.000 0.984 184 Q CA 2.041 57.658 55.803 -0.310 0.000 0.846 184 Q CB -1.304 27.337 28.738 -0.161 0.000 0.902 184 Q HN 0.016 nan 8.270 nan 0.000 0.421 185 V N -0.417 119.382 119.914 -0.191 0.000 2.358 185 V HA -0.188 3.932 4.120 0.000 0.000 0.246 185 V C 2.262 178.274 176.094 -0.138 0.000 1.047 185 V CA 1.519 63.741 62.300 -0.130 0.000 1.035 185 V CB -0.368 31.395 31.823 -0.101 0.000 0.658 185 V HN 0.305 nan 8.190 nan 0.000 0.452 186 V N -0.746 119.054 119.914 -0.189 0.000 2.379 186 V HA -0.162 3.958 4.120 0.000 0.000 0.245 186 V C 2.063 177.989 176.094 -0.280 0.000 1.044 186 V CA 2.005 64.188 62.300 -0.195 0.000 1.036 186 V CB -0.413 31.285 31.823 -0.209 0.000 0.664 186 V HN 0.465 nan 8.190 nan 0.000 0.453 187 M N -1.057 118.309 119.600 -0.390 0.000 2.382 187 M HA 0.350 4.830 4.480 0.000 0.000 0.247 187 M C 1.496 177.689 176.300 -0.179 0.000 1.104 187 M CA 0.760 55.762 55.300 -0.498 0.000 1.030 187 M CB 0.299 32.486 32.600 -0.688 0.000 1.424 187 M HN 0.463 nan 8.290 nan 0.000 0.486 188 G N 1.585 110.307 108.800 -0.129 0.000 2.634 188 G HA2 -0.409 3.551 3.960 0.000 0.000 0.309 188 G HA3 -0.409 3.551 3.960 0.000 0.000 0.309 188 G C 0.870 175.732 174.900 -0.065 0.000 1.265 188 G CA 0.936 45.998 45.100 -0.065 0.000 0.998 188 G HN 0.536 nan 8.290 nan 0.000 0.551 189 S N -0.654 115.027 115.700 -0.032 0.000 2.465 189 S HA 0.006 4.476 4.470 0.000 0.000 0.241 189 S C 2.210 176.738 174.600 -0.119 0.000 1.000 189 S CA 2.143 60.275 58.200 -0.113 0.000 0.964 189 S CB -0.205 62.995 63.200 0.001 0.000 0.763 189 S HN 1.049 nan 8.310 nan 0.000 0.512 190 S N 0.054 115.779 115.700 0.043 0.000 2.489 190 S HA 0.133 4.603 4.470 0.000 0.000 0.228 190 S C 0.250 174.899 174.600 0.081 0.000 0.995 190 S CA -0.133 58.146 58.200 0.132 0.000 0.934 190 S CB -0.400 62.973 63.200 0.289 0.000 0.771 190 S HN 0.696 nan 8.310 nan 0.000 0.522 191 Y N 3.165 123.367 120.300 -0.165 0.000 2.637 191 Y HA 0.423 4.973 4.550 0.000 0.000 0.350 191 Y C 1.290 177.036 175.900 -0.256 0.000 1.069 191 Y CA -1.391 56.585 58.100 -0.208 0.000 1.397 191 Y CB -0.048 38.277 38.460 -0.226 0.000 1.163 191 Y HN 0.069 nan 8.280 nan 0.000 0.527 192 G N 4.568 113.021 108.800 -0.578 0.000 2.422 192 G HA2 -0.268 3.692 3.960 0.000 0.000 0.218 192 G HA3 -0.268 3.692 3.960 0.000 0.000 0.218 192 G C 1.051 175.467 174.900 -0.807 0.000 1.140 192 G CA 0.257 45.009 45.100 -0.580 0.000 0.775 192 G HN 0.647 nan 8.290 nan 0.000 0.545 193 F N 1.342 120.654 119.950 -1.063 0.000 2.771 193 F HA 0.053 4.580 4.527 0.000 0.000 0.299 193 F C 2.742 178.328 175.800 -0.357 0.000 1.177 193 F CA 0.856 58.346 58.000 -0.851 0.000 1.450 193 F CB -0.075 38.368 39.000 -0.929 0.000 1.114 193 F HN 0.380 nan 8.300 nan 0.000 0.587 194 Q N -0.843 118.721 119.800 -0.394 0.000 2.425 194 Q HA -0.020 4.320 4.340 0.000 0.000 0.204 194 Q C -0.670 175.180 176.000 -0.249 0.000 0.933 194 Q CA 0.553 56.206 55.803 -0.251 0.000 0.939 194 Q CB -0.189 28.293 28.738 -0.427 0.000 1.044 194 Q HN 0.312 nan 8.270 nan 0.000 0.513 195 Y N 1.646 121.947 120.300 0.001 0.000 2.360 195 Y HA 0.347 4.897 4.550 0.000 0.000 0.337 195 Y C 0.523 176.324 175.900 -0.165 0.000 1.039 195 Y CA -1.156 56.899 58.100 -0.074 0.000 1.109 195 Y CB 1.608 39.982 38.460 -0.144 0.000 1.201 195 Y HN 0.085 nan 8.280 nan 0.000 0.458 196 S N 2.211 117.700 115.700 -0.352 0.000 2.634 196 S HA 0.288 4.758 4.470 0.000 0.000 0.261 196 S C -2.047 172.234 174.600 -0.531 0.000 1.271 196 S CA -1.088 56.385 58.200 -1.212 0.000 0.985 196 S CB 1.293 63.774 63.200 -1.199 0.000 0.968 196 S HN 0.414 nan 8.310 nan 0.000 0.568 197 P HA -0.025 nan 4.420 nan 0.000 0.215 197 P C 1.729 178.951 177.300 -0.129 0.000 1.157 197 P CA 1.794 64.770 63.100 -0.207 0.000 0.874 197 P CB -0.533 31.093 31.700 -0.125 0.000 0.790 198 G N -0.480 108.215 108.800 -0.175 0.000 2.422 198 G HA2 -0.267 3.693 3.960 0.000 0.000 0.218 198 G HA3 -0.267 3.693 3.960 0.000 0.000 0.218 198 G C 1.508 176.356 174.900 -0.086 0.000 1.146 198 G CA 0.573 45.626 45.100 -0.078 0.000 0.769 198 G HN 0.322 nan 8.290 nan 0.000 0.547 199 Q N -0.564 119.166 119.800 -0.117 0.000 2.172 199 Q HA 0.034 4.374 4.340 0.000 0.000 0.200 199 Q C 2.569 178.459 176.000 -0.183 0.000 0.964 199 Q CA 0.727 56.493 55.803 -0.062 0.000 0.855 199 Q CB -0.088 28.691 28.738 0.067 0.000 0.918 199 Q HN 0.461 nan 8.270 nan 0.000 0.444 200 R N 0.394 120.785 120.500 -0.183 0.000 2.066 200 R HA -0.118 4.222 4.340 0.000 0.000 0.232 200 R C 2.057 178.247 176.300 -0.183 0.000 1.131 200 R CA 1.159 57.099 56.100 -0.266 0.000 0.955 200 R CB -0.089 30.142 30.300 -0.116 0.000 0.851 200 R HN 0.089 nan 8.270 nan 0.000 0.432 201 V N 1.493 121.337 119.914 -0.116 0.000 2.343 201 V HA -0.240 3.880 4.120 0.000 0.000 0.247 201 V C 2.388 178.406 176.094 -0.128 0.000 1.051 201 V CA 2.246 64.485 62.300 -0.103 0.000 1.036 201 V CB -0.601 31.202 31.823 -0.033 0.000 0.654 201 V HN 0.505 nan 8.190 nan 0.000 0.451 202 E N -0.291 119.854 120.200 -0.092 0.000 2.058 202 E HA -0.283 4.067 4.350 0.000 0.000 0.194 202 E C 2.148 178.691 176.600 -0.095 0.000 0.997 202 E CA 1.744 58.097 56.400 -0.077 0.000 0.801 202 E CB -0.246 29.438 29.700 -0.028 0.000 0.746 202 E HN 0.524 nan 8.360 nan 0.000 0.450 203 F N 1.323 121.098 119.950 -0.291 0.000 2.102 203 F HA -0.165 4.362 4.527 0.000 0.000 0.298 203 F C 1.952 177.613 175.800 -0.231 0.000 1.105 203 F CA 1.393 59.204 58.000 -0.315 0.000 1.239 203 F CB -0.308 38.311 39.000 -0.634 0.000 0.991 203 F HN 0.018 nan 8.300 nan 0.000 0.474 204 L N -0.829 120.214 121.223 -0.300 0.000 1.994 204 L HA -0.237 4.103 4.340 0.000 0.000 0.208 204 L C 2.420 179.119 176.870 -0.285 0.000 1.071 204 L CA 1.254 55.903 54.840 -0.320 0.000 0.745 204 L CB -0.928 41.002 42.059 -0.215 0.000 0.892 204 L HN -0.015 nan 8.230 nan 0.000 0.431 205 V N 0.136 119.869 119.914 -0.302 0.000 2.287 205 V HA -0.291 3.829 4.120 0.000 0.000 0.248 205 V C 2.200 178.166 176.094 -0.212 0.000 1.053 205 V CA 1.952 64.043 62.300 -0.347 0.000 1.027 205 V CB -0.686 30.796 31.823 -0.569 0.000 0.646 205 V HN 0.492 nan 8.190 nan 0.000 0.447 206 N N -0.184 118.390 118.700 -0.209 0.000 2.244 206 N HA -0.111 4.629 4.740 0.000 0.000 0.183 206 N C 1.893 177.294 175.510 -0.182 0.000 1.016 206 N CA 1.711 54.669 53.050 -0.154 0.000 0.866 206 N CB -0.479 37.940 38.487 -0.113 0.000 0.980 206 N HN 0.459 nan 8.380 nan 0.000 0.430 207 T N 0.397 114.764 114.554 -0.311 0.000 2.777 207 T HA -0.125 4.225 4.350 0.000 0.000 0.266 207 T C 1.480 176.082 174.700 -0.164 0.000 1.040 207 T CA 0.570 62.469 62.100 -0.334 0.000 1.141 207 T CB -0.106 68.409 68.868 -0.589 0.000 0.868 207 T HN 0.423 nan 8.240 nan 0.000 0.444 208 W N 2.263 123.394 121.300 -0.282 0.000 2.379 208 W HA -0.054 4.606 4.660 0.000 0.000 0.307 208 W C 1.818 178.243 176.519 -0.156 0.000 1.200 208 W CA 1.082 58.303 57.345 -0.206 0.000 1.297 208 W CB -0.211 29.119 29.460 -0.216 0.000 1.140 208 W HN 0.227 nan 8.180 nan 0.000 0.507 209 K N 0.391 120.819 120.400 0.047 0.000 2.280 209 K HA -0.145 4.175 4.320 0.000 0.000 0.202 209 K C 2.144 178.693 176.600 -0.085 0.000 1.047 209 K CA 1.718 57.998 56.287 -0.011 0.000 0.942 209 K CB -0.268 32.231 32.500 -0.003 0.000 0.739 209 K HN 0.083 nan 8.250 nan 0.000 0.457 210 S N 0.448 116.080 115.700 -0.113 0.000 2.489 210 S HA 0.002 4.472 4.470 0.000 0.000 0.228 210 S C 0.608 175.127 174.600 -0.134 0.000 0.995 210 S CA 0.303 58.438 58.200 -0.109 0.000 0.934 210 S CB 0.055 63.193 63.200 -0.104 0.000 0.771 210 S HN -0.034 nan 8.310 nan 0.000 0.522 211 K N 1.935 122.213 120.400 -0.204 0.000 2.185 211 K HA 0.335 4.655 4.320 0.000 0.000 0.271 211 K C 0.703 177.187 176.600 -0.193 0.000 1.013 211 K CA -0.263 55.891 56.287 -0.221 0.000 0.943 211 K CB 0.784 33.082 32.500 -0.336 0.000 0.998 211 K HN 0.199 nan 8.250 nan 0.000 0.468 212 K N 0.788 121.102 120.400 -0.144 0.000 2.097 212 K HA -0.127 4.193 4.320 0.000 0.000 0.205 212 K C 0.443 176.968 176.600 -0.125 0.000 1.050 212 K CA 1.130 57.351 56.287 -0.110 0.000 0.938 212 K CB 0.062 32.514 32.500 -0.079 0.000 0.718 212 K HN 0.396 nan 8.250 nan 0.000 0.442 213 N N 0.180 118.786 118.700 -0.156 0.000 2.685 213 N HA 0.137 4.877 4.740 0.000 0.000 0.252 213 N C -3.003 172.376 175.510 -0.217 0.000 1.261 213 N CA -1.943 51.019 53.050 -0.147 0.000 0.768 213 N CB 1.158 39.593 38.487 -0.087 0.000 1.304 213 N HN -0.169 nan 8.380 nan 0.000 0.536 214 P HA 0.190 nan 4.420 nan 0.000 0.271 214 P C -0.674 176.332 177.300 -0.490 0.000 1.218 214 P CA -0.360 62.288 63.100 -0.754 0.000 0.780 214 P CB 1.105 31.728 31.700 -1.794 0.000 0.901 215 M N 1.732 121.076 119.600 -0.427 0.000 2.421 215 M HA 0.630 5.110 4.480 0.000 0.000 0.287 215 M C -1.426 174.826 176.300 -0.080 0.000 1.183 215 M CA -0.249 54.936 55.300 -0.192 0.000 0.916 215 M CB 2.358 34.930 32.600 -0.046 0.000 1.701 215 M HN 0.633 nan 8.290 nan 0.000 0.470 216 G N 3.311 112.166 108.800 0.091 0.000 2.695 216 G HA2 0.859 4.820 3.960 0.000 0.000 0.290 216 G HA3 0.859 4.820 3.960 0.000 0.000 0.290 216 G C -2.044 172.947 174.900 0.151 0.000 1.410 216 G CA -0.638 44.542 45.100 0.132 0.000 0.844 216 G HN 0.904 nan 8.290 nan 0.000 0.478 217 F N -0.911 118.998 119.950 -0.068 0.000 2.719 217 F HA 0.795 5.322 4.527 -0.000 0.000 0.309 217 F C -0.359 175.417 175.800 -0.040 0.000 1.138 217 F CA -1.260 56.695 58.000 -0.075 0.000 0.943 217 F CB 1.242 40.180 39.000 -0.104 0.000 1.304 217 F HN 0.733 nan 8.300 nan 0.000 0.445 218 S N 0.815 116.608 115.700 0.155 0.000 2.593 218 S HA 0.726 5.196 4.470 0.000 0.000 0.297 218 S C -1.724 173.068 174.600 0.319 0.000 1.112 218 S CA -0.626 57.635 58.200 0.102 0.000 1.043 218 S CB 1.923 65.155 63.200 0.053 0.000 1.054 218 S HN 0.939 nan 8.310 nan 0.000 0.516 219 Y N 1.308 121.712 120.300 0.174 0.000 2.338 219 Y HA 0.483 5.033 4.550 0.000 0.000 0.333 219 Y C -1.250 174.767 175.900 0.196 0.000 0.968 219 Y CA -0.788 57.474 58.100 0.269 0.000 1.123 219 Y CB 1.609 40.326 38.460 0.427 0.000 1.165 219 Y HN 0.901 nan 8.280 nan 0.000 0.452 220 D N 4.439 124.673 120.400 -0.277 0.000 2.460 220 D HA 0.248 4.888 4.640 0.000 0.000 0.232 220 D C -0.956 175.218 176.300 -0.209 0.000 1.079 220 D CA -0.184 53.732 54.000 -0.141 0.000 0.864 220 D CB 1.007 41.757 40.800 -0.083 0.000 1.048 220 D HN 0.441 nan 8.370 nan 0.000 0.523 221 T N 3.570 118.160 114.554 0.059 0.000 2.851 221 T HA 0.205 4.555 4.350 0.000 0.000 0.298 221 T C 0.407 175.205 174.700 0.163 0.000 0.977 221 T CA -0.572 61.641 62.100 0.189 0.000 1.126 221 T CB 0.394 69.584 68.868 0.537 0.000 0.916 221 T HN 0.420 nan 8.240 nan 0.000 0.529 222 R N 1.523 122.076 120.500 0.089 0.000 2.401 222 R HA 0.350 4.690 4.340 0.000 0.000 0.299 222 R C 0.278 176.683 176.300 0.175 0.000 1.064 222 R CA -0.696 55.454 56.100 0.083 0.000 1.000 222 R CB -0.537 29.761 30.300 -0.003 0.000 0.973 222 R HN 0.689 nan 8.270 nan 0.000 0.438 223 C N 5.054 124.481 119.300 0.212 0.000 3.200 223 C HA -0.185 4.275 4.460 0.000 0.000 0.263 223 C C 1.237 176.437 174.990 0.349 0.000 1.345 223 C CA 0.343 59.535 59.018 0.289 0.000 2.274 223 C CB -2.501 25.449 27.740 0.349 0.000 1.459 223 C HN 1.074 nan 8.230 nan 0.000 0.501 224 F N 1.797 121.862 119.950 0.192 0.000 2.087 224 F HA -0.164 4.363 4.527 0.000 0.000 0.299 224 F C 1.796 177.708 175.800 0.187 0.000 1.100 224 F CA 2.608 60.723 58.000 0.192 0.000 1.226 224 F CB -0.157 38.944 39.000 0.168 0.000 0.983 224 F HN 0.549 nan 8.300 nan 0.000 0.479 225 D N -0.485 120.175 120.400 0.434 0.000 2.158 225 D HA -0.169 4.471 4.640 0.000 0.000 0.197 225 D C 2.444 178.825 176.300 0.134 0.000 0.995 225 D CA 1.670 55.846 54.000 0.292 0.000 0.846 225 D CB -0.444 40.524 40.800 0.280 0.000 0.941 225 D HN 0.255 nan 8.370 nan 0.000 0.456 226 S N -0.846 114.951 115.700 0.161 0.000 2.461 226 S HA -0.085 4.385 4.470 0.000 0.000 0.228 226 S C 1.985 176.565 174.600 -0.034 0.000 1.005 226 S CA 1.270 59.478 58.200 0.014 0.000 0.942 226 S CB -0.122 63.091 63.200 0.022 0.000 0.776 226 S HN 0.524 nan 8.310 nan 0.000 0.514 227 T N -0.545 114.072 114.554 0.106 0.000 3.067 227 T HA 0.144 4.494 4.350 0.000 0.000 0.261 227 T C 0.609 175.247 174.700 -0.103 0.000 1.110 227 T CA 0.015 62.164 62.100 0.082 0.000 1.113 227 T CB -0.367 68.514 68.868 0.023 0.000 0.917 227 T HN 0.019 nan 8.240 nan 0.000 0.499 228 V N 4.118 123.929 119.914 -0.171 0.000 2.479 228 V HA 0.295 4.415 4.120 0.000 0.000 0.281 228 V C 1.167 177.211 176.094 -0.084 0.000 1.031 228 V CA -0.212 62.004 62.300 -0.140 0.000 1.038 228 V CB 0.126 31.910 31.823 -0.064 0.000 0.981 228 V HN 0.722 nan 8.190 nan 0.000 0.478 229 T N 1.226 115.743 114.554 -0.061 0.000 2.881 229 T HA 0.343 4.693 4.350 0.000 0.000 0.278 229 T C 0.946 175.625 174.700 -0.035 0.000 0.982 229 T CA -0.648 61.420 62.100 -0.053 0.000 0.989 229 T CB 1.265 70.110 68.868 -0.039 0.000 1.058 229 T HN 0.646 nan 8.240 nan 0.000 0.529 230 E N 0.293 120.473 120.200 -0.034 0.000 2.153 230 E HA -0.158 4.192 4.350 0.000 0.000 0.194 230 E C 1.943 178.542 176.600 -0.002 0.000 0.988 230 E CA 1.029 57.421 56.400 -0.013 0.000 0.811 230 E CB -0.224 29.469 29.700 -0.012 0.000 0.746 230 E HN 0.705 nan 8.360 nan 0.000 0.466 231 N N 0.856 119.550 118.700 -0.010 0.000 2.142 231 N HA -0.155 4.585 4.740 0.000 0.000 0.186 231 N C 1.345 176.861 175.510 0.010 0.000 1.023 231 N CA 1.351 54.399 53.050 -0.004 0.000 0.852 231 N CB 0.121 38.596 38.487 -0.019 0.000 0.998 231 N HN 0.045 nan 8.380 nan 0.000 0.424 232 D N 0.153 120.558 120.400 0.009 0.000 2.117 232 D HA -0.115 4.525 4.640 0.000 0.000 0.197 232 D C 1.881 178.192 176.300 0.019 0.000 0.987 232 D CA 0.904 54.922 54.000 0.031 0.000 0.829 232 D CB -0.209 40.605 40.800 0.023 0.000 0.961 232 D HN 0.421 nan 8.370 nan 0.000 0.460 233 I N 0.510 121.092 120.570 0.019 0.000 2.394 233 I HA -0.191 3.979 4.170 0.000 0.000 0.251 233 I C 2.456 178.585 176.117 0.020 0.000 1.136 233 I CA 0.839 62.157 61.300 0.030 0.000 1.425 233 I CB -0.053 37.987 38.000 0.066 0.000 1.079 233 I HN -0.113 nan 8.210 nan 0.000 0.425 234 R N -0.061 120.449 120.500 0.017 0.000 2.093 234 R HA -0.044 4.296 4.340 0.000 0.000 0.224 234 R C 2.338 178.626 176.300 -0.019 0.000 1.101 234 R CA 0.809 56.915 56.100 0.010 0.000 0.979 234 R CB -0.225 30.082 30.300 0.013 0.000 0.877 234 R HN 0.159 nan 8.270 nan 0.000 0.441 235 V N 1.446 121.352 119.914 -0.014 0.000 2.343 235 V HA -0.265 3.855 4.120 0.000 0.000 0.247 235 V C 2.350 178.377 176.094 -0.112 0.000 1.051 235 V CA 2.016 64.300 62.300 -0.026 0.000 1.036 235 V CB -0.446 31.399 31.823 0.037 0.000 0.654 235 V HN 0.419 nan 8.190 nan 0.000 0.451 236 E N 0.066 120.175 120.200 -0.152 0.000 2.085 236 E HA -0.300 4.050 4.350 0.000 0.000 0.194 236 E C 2.297 178.533 176.600 -0.607 0.000 0.994 236 E CA 1.586 57.772 56.400 -0.356 0.000 0.801 236 E CB -0.215 29.318 29.700 -0.279 0.000 0.743 236 E HN 0.603 nan 8.360 nan 0.000 0.453 237 E N 0.648 120.661 120.200 -0.310 0.000 2.110 237 E HA -0.179 4.171 4.350 0.000 0.000 0.193 237 E C 2.148 178.691 176.600 -0.095 0.000 0.988 237 E CA 1.556 57.870 56.400 -0.144 0.000 0.804 237 E CB -0.165 29.561 29.700 0.044 0.000 0.745 237 E HN 0.352 nan 8.360 nan 0.000 0.458 238 S N 0.083 115.727 115.700 -0.093 0.000 2.423 238 S HA -0.091 4.379 4.470 0.000 0.000 0.231 238 S C 2.201 176.764 174.600 -0.061 0.000 1.014 238 S CA 0.870 59.041 58.200 -0.048 0.000 0.965 238 S CB -0.493 62.685 63.200 -0.036 0.000 0.785 238 S HN 0.282 nan 8.310 nan 0.000 0.495 239 I N -0.033 120.450 120.570 -0.145 0.000 2.233 239 I HA -0.104 4.066 4.170 0.000 0.000 0.243 239 I C 2.289 178.404 176.117 -0.004 0.000 1.093 239 I CA 1.188 62.419 61.300 -0.115 0.000 1.380 239 I CB -0.493 37.392 38.000 -0.191 0.000 1.067 239 I HN 0.214 nan 8.210 nan 0.000 0.413 240 Y N 1.205 121.504 120.300 -0.002 0.000 2.165 240 Y HA -0.238 4.312 4.550 0.000 0.000 0.286 240 Y C 2.668 178.572 175.900 0.007 0.000 1.155 240 Y CA 0.716 58.817 58.100 0.002 0.000 1.164 240 Y CB -1.096 37.379 38.460 0.025 0.000 0.978 240 Y HN 0.238 nan 8.280 nan 0.000 0.513 241 Q N -1.149 118.748 119.800 0.163 0.000 2.439 241 Q HA -0.143 4.197 4.340 0.000 0.000 0.211 241 Q C 2.266 178.302 176.000 0.060 0.000 0.978 241 Q CA 0.952 56.812 55.803 0.095 0.000 0.897 241 Q CB -0.829 27.947 28.738 0.063 0.000 0.956 241 Q HN 0.519 nan 8.270 nan 0.000 0.483 242 C N -0.113 119.218 119.300 0.052 0.000 2.468 242 C HA 0.005 4.465 4.460 0.000 0.000 0.277 242 C C 1.525 176.534 174.990 0.031 0.000 1.400 242 C CA -0.777 58.259 59.018 0.030 0.000 1.770 242 C CB -0.646 27.103 27.740 0.015 0.000 1.905 242 C HN 0.401 nan 8.230 nan 0.000 0.519 243 C N 1.803 121.131 119.300 0.046 0.000 2.700 243 C HA 0.135 4.595 4.460 0.000 0.000 0.397 243 C C 0.613 175.620 174.990 0.029 0.000 1.301 243 C CA -0.309 58.729 59.018 0.034 0.000 2.219 243 C CB -0.176 27.587 27.740 0.038 0.000 2.699 243 C HN 0.492 nan 8.230 nan 0.000 0.669 244 D N 1.812 122.224 120.400 0.020 0.000 2.374 244 D HA 0.385 5.026 4.640 0.000 0.000 0.240 244 D C -0.528 175.787 176.300 0.024 0.000 1.229 244 D CA 0.363 54.374 54.000 0.019 0.000 0.895 244 D CB -0.022 40.786 40.800 0.013 0.000 1.046 244 D HN 0.393 nan 8.370 nan 0.000 0.498 245 L N 1.808 123.049 121.223 0.031 0.000 2.301 245 L HA 0.667 5.007 4.340 0.000 0.000 0.264 245 L C 0.538 177.433 176.870 0.041 0.000 1.016 245 L CA -1.432 53.431 54.840 0.039 0.000 0.821 245 L CB 1.654 43.742 42.059 0.049 0.000 1.346 245 L HN 0.268 nan 8.230 nan 0.000 0.429 246 A N 1.205 124.057 122.820 0.052 0.000 2.407 246 A HA 0.389 4.709 4.320 0.000 0.000 0.248 246 A C -1.847 175.774 177.584 0.062 0.000 1.082 246 A CA -0.988 51.083 52.037 0.056 0.000 0.785 246 A CB 0.012 19.054 19.000 0.070 0.000 1.020 246 A HN 0.609 nan 8.150 nan 0.000 0.489 247 P HA -0.196 nan 4.420 nan 0.000 0.216 247 P C 1.067 178.396 177.300 0.048 0.000 1.157 247 P CA 1.773 64.898 63.100 0.040 0.000 0.880 247 P CB 0.184 31.903 31.700 0.032 0.000 0.791 248 E N -1.147 119.107 120.200 0.090 0.000 2.208 248 E HA -0.087 4.263 4.350 0.000 0.000 0.193 248 E C 2.010 178.686 176.600 0.128 0.000 0.988 248 E CA 0.798 57.270 56.400 0.120 0.000 0.828 248 E CB -0.357 29.515 29.700 0.286 0.000 0.763 248 E HN 0.148 nan 8.360 nan 0.000 0.478 249 A N 1.278 124.201 122.820 0.171 0.000 1.898 249 A HA -0.152 4.169 4.320 0.000 0.000 0.216 249 A C 2.010 179.635 177.584 0.068 0.000 1.181 249 A CA 0.965 53.104 52.037 0.170 0.000 0.620 249 A CB -0.243 18.848 19.000 0.151 0.000 0.819 249 A HN 0.071 nan 8.150 nan 0.000 0.442 250 R N -0.930 119.599 120.500 0.048 0.000 2.091 250 R HA -0.133 4.207 4.340 0.000 0.000 0.238 250 R C 2.442 178.736 176.300 -0.010 0.000 1.136 250 R CA 1.431 57.549 56.100 0.029 0.000 0.959 250 R CB -0.272 30.044 30.300 0.027 0.000 0.856 250 R HN 0.498 nan 8.270 nan 0.000 0.437 251 Q N 0.141 119.912 119.800 -0.049 0.000 2.046 251 Q HA -0.051 4.289 4.340 0.000 0.000 0.200 251 Q C 2.156 178.051 176.000 -0.175 0.000 0.975 251 Q CA 1.738 57.477 55.803 -0.106 0.000 0.836 251 Q CB -0.199 28.461 28.738 -0.130 0.000 0.896 251 Q HN 0.330 nan 8.270 nan 0.000 0.428 252 A N 0.702 123.362 122.820 -0.266 0.000 1.902 252 A HA -0.155 4.165 4.320 0.000 0.000 0.217 252 A C 2.156 179.643 177.584 -0.163 0.000 1.181 252 A CA 1.158 52.971 52.037 -0.374 0.000 0.623 252 A CB -0.679 17.931 19.000 -0.649 0.000 0.818 252 A HN 0.348 nan 8.150 nan 0.000 0.443 253 I N -0.696 119.846 120.570 -0.046 0.000 2.226 253 I HA -0.255 3.915 4.170 0.000 0.000 0.245 253 I C 2.531 178.672 176.117 0.040 0.000 1.100 253 I CA 1.860 63.191 61.300 0.052 0.000 1.374 253 I CB -0.193 37.876 38.000 0.114 0.000 1.057 253 I HN 0.280 nan 8.210 nan 0.000 0.413 254 K N 0.877 121.279 120.400 0.003 0.000 2.026 254 K HA -0.171 4.149 4.320 0.000 0.000 0.208 254 K C 2.286 178.855 176.600 -0.050 0.000 1.048 254 K CA 1.968 58.252 56.287 -0.004 0.000 0.929 254 K CB -0.500 31.989 32.500 -0.018 0.000 0.713 254 K HN 0.097 nan 8.250 nan 0.000 0.439 255 S N -0.245 115.394 115.700 -0.101 0.000 2.368 255 S HA -0.046 4.424 4.470 0.000 0.000 0.225 255 S C 1.855 176.352 174.600 -0.171 0.000 1.030 255 S CA 1.252 59.373 58.200 -0.133 0.000 0.999 255 S CB -0.308 62.787 63.200 -0.174 0.000 0.844 255 S HN 0.368 nan 8.310 nan 0.000 0.459 256 L N 0.708 121.797 121.223 -0.223 0.000 2.083 256 L HA -0.091 4.249 4.340 0.000 0.000 0.209 256 L C 2.776 179.320 176.870 -0.544 0.000 1.083 256 L CA 1.518 56.103 54.840 -0.425 0.000 0.752 256 L CB -0.996 40.776 42.059 -0.479 0.000 0.899 256 L HN 0.327 nan 8.230 nan 0.000 0.433 257 T N -0.966 113.454 114.554 -0.223 0.000 2.674 257 T HA -0.152 4.198 4.350 0.000 0.000 0.265 257 T C 1.791 176.479 174.700 -0.020 0.000 1.039 257 T CA 1.205 63.308 62.100 0.006 0.000 1.150 257 T CB -0.093 68.862 68.868 0.145 0.000 0.864 257 T HN 0.271 nan 8.240 nan 0.000 0.427 258 E N 0.946 121.121 120.200 -0.041 0.000 2.152 258 E HA 0.007 4.357 4.350 0.000 0.000 0.192 258 E C 2.274 178.849 176.600 -0.041 0.000 0.983 258 E CA 0.798 57.182 56.400 -0.027 0.000 0.818 258 E CB -0.072 29.612 29.700 -0.027 0.000 0.758 258 E HN 0.471 nan 8.360 nan 0.000 0.467 259 R N -0.599 119.849 120.500 -0.087 0.000 2.265 259 R HA 0.137 4.477 4.340 0.000 0.000 0.194 259 R C 1.748 177.988 176.300 -0.100 0.000 0.931 259 R CA 0.212 56.264 56.100 -0.080 0.000 1.032 259 R CB 0.362 30.607 30.300 -0.091 0.000 0.980 259 R HN 0.026 nan 8.270 nan 0.000 0.497 260 L N -2.128 118.998 121.223 -0.163 0.000 2.691 260 L HA 0.197 4.537 4.340 0.000 0.000 0.185 260 L C 1.268 178.137 176.870 -0.003 0.000 1.081 260 L CA 0.710 55.466 54.840 -0.140 0.000 0.865 260 L CB -0.297 41.611 42.059 -0.252 0.000 1.370 260 L HN -0.149 nan 8.230 nan 0.000 0.488 261 Y N 1.663 121.976 120.300 0.022 0.000 2.181 261 Y HA -0.104 4.446 4.550 0.000 0.000 0.288 261 Y C 2.560 178.461 175.900 0.002 0.000 1.146 261 Y CA 1.596 59.715 58.100 0.032 0.000 1.164 261 Y CB -1.244 37.257 38.460 0.068 0.000 0.982 261 Y HN 0.395 nan 8.280 nan 0.000 0.515 262 I N -2.373 118.278 120.570 0.136 0.000 3.001 262 I HA 0.329 4.499 4.170 0.000 0.000 0.268 262 I C 1.049 177.161 176.117 -0.008 0.000 1.267 262 I CA 1.042 62.376 61.300 0.058 0.000 1.472 262 I CB -0.437 37.588 38.000 0.042 0.000 1.089 262 I HN 0.150 nan 8.210 nan 0.000 0.468 263 G N -0.338 108.438 108.800 -0.040 0.000 2.362 263 G HA2 0.444 4.404 3.960 0.000 0.000 0.288 263 G HA3 0.444 4.404 3.960 0.000 0.000 0.288 263 G C -0.659 174.076 174.900 -0.275 0.000 1.305 263 G CA -0.302 44.695 45.100 -0.171 0.000 0.910 263 G HN 0.902 nan 8.290 nan 0.000 0.518 264 G N -1.109 107.267 108.800 -0.706 0.000 2.356 264 G HA2 0.671 4.631 3.960 0.000 0.000 0.300 264 G HA3 0.671 4.631 3.960 0.000 0.000 0.300 264 G C -3.408 170.847 174.900 -1.075 0.000 1.331 264 G CA 0.262 44.885 45.100 -0.796 0.000 0.905 264 G HN 0.966 nan 8.290 nan 0.000 0.587 265 P HA 0.403 nan 4.420 nan 0.000 0.271 265 P C -0.524 176.680 177.300 -0.160 0.000 1.218 265 P CA 0.005 62.988 63.100 -0.194 0.000 0.780 265 P CB 1.066 32.782 31.700 0.027 0.000 0.901 266 L N 2.641 123.812 121.223 -0.087 0.000 2.305 266 L HA 0.429 4.769 4.340 0.000 0.000 0.284 266 L C 0.490 177.362 176.870 0.004 0.000 1.013 266 L CA -0.258 54.558 54.840 -0.039 0.000 0.819 266 L CB 1.665 43.724 42.059 0.000 0.000 1.227 266 L HN 0.283 nan 8.230 nan 0.000 0.417 267 T N 1.512 116.053 114.554 -0.023 0.000 2.807 267 T HA 0.323 4.673 4.350 0.000 0.000 0.279 267 T C -0.137 174.555 174.700 -0.014 0.000 0.993 267 T CA -0.825 61.266 62.100 -0.015 0.000 0.970 267 T CB 1.407 70.248 68.868 -0.045 0.000 0.950 267 T HN 0.644 nan 8.240 nan 0.000 0.441 268 N N 0.867 119.576 118.700 0.016 0.000 2.327 268 N HA 0.107 4.847 4.740 0.000 0.000 0.257 268 N C 1.466 176.977 175.510 0.002 0.000 1.281 268 N CA -0.250 52.814 53.050 0.023 0.000 0.942 268 N CB 0.118 38.628 38.487 0.039 0.000 1.199 268 N HN 0.443 nan 8.380 nan 0.000 0.532 269 S N -1.245 114.465 115.700 0.017 0.000 2.442 269 S HA -0.134 4.336 4.470 0.000 0.000 0.236 269 S C 0.986 175.587 174.600 0.002 0.000 1.007 269 S CA 0.767 58.976 58.200 0.014 0.000 0.965 269 S CB -0.454 62.767 63.200 0.035 0.000 0.773 269 S HN 0.621 nan 8.310 nan 0.000 0.504 270 K N 0.662 121.066 120.400 0.005 0.000 2.417 270 K HA 0.268 4.588 4.320 0.000 0.000 0.196 270 K C 1.205 177.802 176.600 -0.006 0.000 1.023 270 K CA 0.351 56.639 56.287 0.001 0.000 1.122 270 K CB -0.081 32.425 32.500 0.009 0.000 0.850 270 K HN 0.552 nan 8.250 nan 0.000 0.521 271 G N 1.664 110.456 108.800 -0.013 0.000 2.159 271 G HA2 -0.299 3.661 3.960 0.000 0.000 0.256 271 G HA3 -0.299 3.661 3.960 0.000 0.000 0.256 271 G C -0.136 174.762 174.900 -0.003 0.000 0.977 271 G CA 0.007 45.095 45.100 -0.019 0.000 0.652 271 G HN 0.372 nan 8.290 nan 0.000 0.531 272 Q N -0.082 119.724 119.800 0.009 0.000 2.259 272 Q HA 0.423 4.763 4.340 0.000 0.000 0.246 272 Q C 0.149 176.169 176.000 0.034 0.000 0.920 272 Q CA -0.604 55.212 55.803 0.023 0.000 0.895 272 Q CB 0.848 29.604 28.738 0.030 0.000 1.220 272 Q HN 0.276 nan 8.270 nan 0.000 0.439 273 N N 0.702 119.428 118.700 0.043 0.000 2.430 273 N HA 0.041 4.781 4.740 0.000 0.000 0.265 273 N C -0.402 175.161 175.510 0.089 0.000 1.100 273 N CA -0.020 53.064 53.050 0.057 0.000 0.961 273 N CB 0.553 39.074 38.487 0.056 0.000 1.075 273 N HN 0.561 nan 8.380 nan 0.000 0.478 274 C N 2.159 121.528 119.300 0.115 0.000 2.551 274 C HA 0.591 5.051 4.460 0.000 0.000 0.277 274 C C 1.238 176.374 174.990 0.243 0.000 1.349 274 C CA 0.567 59.708 59.018 0.205 0.000 1.750 274 C CB -1.247 26.654 27.740 0.268 0.000 2.058 274 C HN 0.911 nan 8.230 nan 0.000 0.518 275 G N -1.569 107.295 108.800 0.107 0.000 2.368 275 G HA2 0.336 4.296 3.960 0.000 0.000 0.269 275 G HA3 0.336 4.296 3.960 0.000 0.000 0.269 275 G C -2.254 172.641 174.900 -0.009 0.000 1.291 275 G CA -0.421 44.683 45.100 0.007 0.000 0.903 275 G HN -0.018 nan 8.290 nan 0.000 0.483 276 Y N 0.655 120.809 120.300 -0.244 0.000 2.462 276 Y HA 0.773 5.323 4.550 0.000 0.000 0.346 276 Y C 0.202 175.947 175.900 -0.259 0.000 0.976 276 Y CA -0.864 57.120 58.100 -0.193 0.000 1.044 276 Y CB 2.042 40.411 38.460 -0.152 0.000 1.230 276 Y HN 0.676 nan 8.280 nan 0.000 0.455 277 R N 4.499 124.669 120.500 -0.549 0.000 2.460 277 R HA 0.559 4.899 4.340 0.000 0.000 0.303 277 R C -0.794 175.252 176.300 -0.424 0.000 0.968 277 R CA -0.574 55.191 56.100 -0.558 0.000 0.889 277 R CB 0.854 30.897 30.300 -0.428 0.000 1.123 277 R HN 0.895 nan 8.270 nan 0.000 0.455 278 R N 3.502 123.753 120.500 -0.414 0.000 2.698 278 R HA 0.224 4.564 4.340 0.000 0.000 0.422 278 R C -0.738 175.408 176.300 -0.255 0.000 1.073 278 R CA -0.324 55.645 56.100 -0.217 0.000 1.054 278 R CB 0.458 30.690 30.300 -0.113 0.000 1.373 278 R HN 0.814 nan 8.270 nan 0.000 0.593 279 C N -2.213 116.893 119.300 -0.323 0.000 3.311 279 C HA 0.613 5.073 4.460 0.000 0.000 0.366 279 C C -0.402 174.516 174.990 -0.120 0.000 1.694 279 C CA -1.468 57.413 59.018 -0.228 0.000 1.244 279 C CB 1.168 28.725 27.740 -0.306 0.000 2.038 279 C HN 0.363 nan 8.230 nan 0.000 0.436 280 R N 1.092 121.575 120.500 -0.029 0.000 2.537 280 R HA 0.538 4.878 4.340 0.000 0.000 0.280 280 R C -0.055 176.297 176.300 0.088 0.000 1.058 280 R CA 0.902 57.035 56.100 0.056 0.000 1.057 280 R CB 0.182 30.555 30.300 0.123 0.000 0.973 280 R HN 1.203 nan 8.270 nan 0.000 0.438 281 A N 2.982 125.868 122.820 0.110 0.000 2.290 281 A HA 0.294 4.614 4.320 0.000 0.000 0.310 281 A C 0.858 178.538 177.584 0.160 0.000 1.202 281 A CA -0.097 52.029 52.037 0.148 0.000 0.837 281 A CB 0.916 20.009 19.000 0.156 0.000 1.139 281 A HN 1.001 nan 8.150 nan 0.000 0.509 282 S N 1.958 117.767 115.700 0.183 0.000 2.461 282 S HA 0.047 4.517 4.470 0.000 0.000 0.228 282 S C 1.111 175.803 174.600 0.154 0.000 1.005 282 S CA 0.878 59.177 58.200 0.165 0.000 0.942 282 S CB -0.047 63.256 63.200 0.171 0.000 0.776 282 S HN 1.273 nan 8.310 nan 0.000 0.514 283 G N 2.021 110.937 108.800 0.194 0.000 4.294 283 G HA2 0.524 4.484 3.960 0.000 0.000 0.301 283 G HA3 0.524 4.484 3.960 0.000 0.000 0.301 283 G C -0.197 174.833 174.900 0.216 0.000 1.321 283 G CA -0.089 45.130 45.100 0.198 0.000 1.190 283 G HN 0.651 nan 8.290 nan 0.000 0.600 284 V N -2.439 117.581 119.914 0.176 0.000 3.040 284 V HA 0.557 4.677 4.120 0.000 0.000 0.312 284 V C 1.251 177.420 176.094 0.125 0.000 1.115 284 V CA -0.990 61.429 62.300 0.199 0.000 0.998 284 V CB 1.734 33.722 31.823 0.275 0.000 1.042 284 V HN 0.082 nan 8.190 nan 0.000 0.433 285 L N 2.580 123.896 121.223 0.154 0.000 2.079 285 L HA -0.065 4.275 4.340 0.000 0.000 0.210 285 L C 2.362 179.254 176.870 0.038 0.000 1.081 285 L CA 3.125 58.044 54.840 0.131 0.000 0.752 285 L CB -0.596 41.573 42.059 0.184 0.000 0.896 285 L HN 1.112 nan 8.230 nan 0.000 0.433 286 T N -6.089 108.391 114.554 -0.124 0.000 3.129 286 T HA -0.015 4.335 4.350 0.000 0.000 0.251 286 T C 1.612 176.249 174.700 -0.105 0.000 1.117 286 T CA 0.760 62.751 62.100 -0.182 0.000 1.034 286 T CB -0.691 67.922 68.868 -0.426 0.000 0.968 286 T HN 0.278 nan 8.240 nan 0.000 0.526 287 T N 2.112 116.629 114.554 -0.061 0.000 2.607 287 T HA -0.182 4.168 4.350 0.000 0.000 0.267 287 T C 2.197 176.915 174.700 0.030 0.000 1.049 287 T CA 1.903 64.009 62.100 0.009 0.000 1.162 287 T CB -0.765 68.134 68.868 0.051 0.000 0.863 287 T HN 0.558 nan 8.240 nan 0.000 0.424 288 S N -0.201 115.495 115.700 -0.007 0.000 2.348 288 S HA -0.171 4.299 4.470 0.000 0.000 0.221 288 S C 2.472 177.092 174.600 0.032 0.000 1.033 288 S CA 1.596 59.777 58.200 -0.031 0.000 1.010 288 S CB -1.017 62.048 63.200 -0.225 0.000 0.891 288 S HN 0.679 nan 8.310 nan 0.000 0.442 289 C N 1.343 120.643 119.300 -0.001 0.000 2.413 289 C HA 0.048 4.508 4.460 0.000 0.000 0.276 289 C C 2.837 177.887 174.990 0.101 0.000 1.236 289 C CA 1.260 60.304 59.018 0.043 0.000 1.735 289 C CB -1.866 25.874 27.740 0.000 0.000 2.031 289 C HN 0.719 nan 8.230 nan 0.000 0.474 290 G N 0.392 109.256 108.800 0.106 0.000 2.421 290 G HA2 -0.222 3.738 3.960 0.000 0.000 0.216 290 G HA3 -0.222 3.738 3.960 0.000 0.000 0.216 290 G C 1.538 176.529 174.900 0.152 0.000 1.171 290 G CA 1.073 46.239 45.100 0.110 0.000 0.775 290 G HN 0.607 nan 8.290 nan 0.000 0.543 291 N N 0.337 119.139 118.700 0.170 0.000 2.166 291 N HA -0.075 4.665 4.740 0.000 0.000 0.186 291 N C 2.389 177.982 175.510 0.137 0.000 1.019 291 N CA 1.551 54.735 53.050 0.223 0.000 0.856 291 N CB -0.587 37.939 38.487 0.065 0.000 0.993 291 N HN 0.253 nan 8.380 nan 0.000 0.426 292 T N 1.700 116.335 114.554 0.134 0.000 2.737 292 T HA 0.017 4.367 4.350 0.000 0.000 0.265 292 T C 2.169 176.976 174.700 0.178 0.000 1.038 292 T CA 0.610 62.808 62.100 0.163 0.000 1.144 292 T CB -0.267 68.764 68.868 0.272 0.000 0.866 292 T HN 0.120 nan 8.240 nan 0.000 0.434 293 L N 0.704 122.005 121.223 0.129 0.000 2.046 293 L HA -0.131 4.209 4.340 0.000 0.000 0.208 293 L C 2.935 179.909 176.870 0.174 0.000 1.077 293 L CA 1.252 56.153 54.840 0.101 0.000 0.747 293 L CB -0.998 41.072 42.059 0.019 0.000 0.896 293 L HN 0.298 nan 8.230 nan 0.000 0.432 294 T N -1.398 113.273 114.554 0.194 0.000 2.777 294 T HA -0.235 4.115 4.350 0.000 0.000 0.266 294 T C 2.006 176.892 174.700 0.310 0.000 1.040 294 T CA 1.488 63.727 62.100 0.231 0.000 1.141 294 T CB -0.468 68.565 68.868 0.275 0.000 0.868 294 T HN 0.480 nan 8.240 nan 0.000 0.444 295 C N 0.693 120.236 119.300 0.404 0.000 2.429 295 C HA -0.073 4.387 4.460 0.000 0.000 0.277 295 C C 2.402 177.554 174.990 0.270 0.000 1.262 295 C CA 0.459 59.713 59.018 0.393 0.000 1.733 295 C CB -1.438 26.446 27.740 0.241 0.000 2.010 295 C HN 0.649 nan 8.230 nan 0.000 0.483 296 Y N 1.047 121.419 120.300 0.119 0.000 2.181 296 Y HA -0.090 4.460 4.550 -0.000 0.000 0.288 296 Y C 2.156 178.079 175.900 0.038 0.000 1.146 296 Y CA 2.051 60.197 58.100 0.077 0.000 1.164 296 Y CB -0.549 37.944 38.460 0.055 0.000 0.982 296 Y HN 0.337 nan 8.280 nan 0.000 0.515 297 L N 1.113 122.409 121.223 0.121 0.000 1.994 297 L HA -0.183 4.157 4.340 0.000 0.000 0.208 297 L C 2.103 178.884 176.870 -0.148 0.000 1.071 297 L CA 2.018 56.812 54.840 -0.076 0.000 0.745 297 L CB -0.944 41.053 42.059 -0.102 0.000 0.892 297 L HN 0.151 nan 8.230 nan 0.000 0.431 298 K N -0.327 120.056 120.400 -0.029 0.000 2.026 298 K HA -0.096 4.224 4.320 0.000 0.000 0.208 298 K C 2.106 178.721 176.600 0.024 0.000 1.048 298 K CA 1.439 57.722 56.287 -0.007 0.000 0.929 298 K CB -0.515 32.065 32.500 0.132 0.000 0.713 298 K HN 0.492 nan 8.250 nan 0.000 0.439 299 A N 1.257 124.083 122.820 0.010 0.000 1.902 299 A HA -0.169 4.152 4.320 0.000 0.000 0.217 299 A C 2.252 179.849 177.584 0.023 0.000 1.181 299 A CA 1.940 53.998 52.037 0.034 0.000 0.623 299 A CB -0.597 18.495 19.000 0.155 0.000 0.818 299 A HN 0.192 nan 8.150 nan 0.000 0.443 300 S N -0.132 115.470 115.700 -0.162 0.000 2.368 300 S HA -0.043 4.427 4.470 0.000 0.000 0.225 300 S C 2.292 176.836 174.600 -0.093 0.000 1.030 300 S CA 1.193 59.263 58.200 -0.217 0.000 0.999 300 S CB -0.457 62.453 63.200 -0.483 0.000 0.844 300 S HN 0.801 nan 8.310 nan 0.000 0.459 301 A N 1.577 124.363 122.820 -0.057 0.000 1.898 301 A HA 0.150 4.470 4.320 0.000 0.000 0.216 301 A C 2.358 179.997 177.584 0.091 0.000 1.181 301 A CA 1.623 53.694 52.037 0.057 0.000 0.620 301 A CB -1.072 17.992 19.000 0.108 0.000 0.819 301 A HN 0.513 nan 8.150 nan 0.000 0.442 302 A N -1.135 121.734 122.820 0.083 0.000 1.972 302 A HA -0.156 4.164 4.320 0.000 0.000 0.219 302 A C 2.246 179.858 177.584 0.048 0.000 1.169 302 A CA 1.629 53.584 52.037 -0.136 0.000 0.635 302 A CB -1.197 17.336 19.000 -0.778 0.000 0.810 302 A HN 0.592 nan 8.150 nan 0.000 0.446 303 C N -0.956 118.458 119.300 0.189 0.000 2.440 303 C HA -0.050 4.410 4.460 0.000 0.000 0.278 303 C C 2.848 177.854 174.990 0.026 0.000 1.295 303 C CA 1.018 60.172 59.018 0.226 0.000 1.738 303 C CB -1.246 26.586 27.740 0.153 0.000 1.987 303 C HN 0.608 nan 8.230 nan 0.000 0.492 304 R N 0.964 121.389 120.500 -0.124 0.000 2.115 304 R HA -0.032 4.308 4.340 0.000 0.000 0.226 304 R C 2.347 178.394 176.300 -0.421 0.000 1.100 304 R CA 1.388 57.295 56.100 -0.322 0.000 0.980 304 R CB -0.399 29.578 30.300 -0.538 0.000 0.875 304 R HN 0.525 nan 8.270 nan 0.000 0.445 305 A N 1.219 123.836 122.820 -0.338 0.000 1.930 305 A HA -0.023 4.297 4.320 0.000 0.000 0.217 305 A C 2.207 179.780 177.584 -0.018 0.000 1.175 305 A CA 1.559 53.528 52.037 -0.113 0.000 0.627 305 A CB -0.333 18.657 19.000 -0.016 0.000 0.815 305 A HN 0.359 nan 8.150 nan 0.000 0.443 306 A N -1.566 121.264 122.820 0.016 0.000 2.218 306 A HA 0.275 4.595 4.320 0.000 0.000 0.209 306 A C 0.994 178.600 177.584 0.036 0.000 1.168 306 A CA 0.712 52.784 52.037 0.058 0.000 0.804 306 A CB -0.335 18.755 19.000 0.149 0.000 0.834 306 A HN 0.438 nan 8.150 nan 0.000 0.482 307 K N -1.032 119.374 120.400 0.010 0.000 3.150 307 K HA -0.147 4.173 4.320 0.000 0.000 0.267 307 K C -1.148 175.462 176.600 0.016 0.000 1.028 307 K CA 0.112 56.402 56.287 0.006 0.000 0.753 307 K CB -1.631 30.876 32.500 0.012 0.000 1.288 307 K HN 0.303 nan 8.250 nan 0.000 0.473 308 L N 1.694 122.934 121.223 0.028 0.000 2.410 308 L HA 0.073 4.413 4.340 0.000 0.000 0.273 308 L C 1.026 177.899 176.870 0.006 0.000 1.152 308 L CA 0.769 55.626 54.840 0.027 0.000 0.855 308 L CB 0.718 42.807 42.059 0.049 0.000 1.129 308 L HN 0.142 nan 8.230 nan 0.000 0.463 309 Q N 1.837 121.635 119.800 -0.003 0.000 2.288 309 Q HA 0.136 4.476 4.340 0.000 0.000 0.254 309 Q C 0.033 176.016 176.000 -0.028 0.000 0.932 309 Q CA -0.420 55.374 55.803 -0.015 0.000 0.902 309 Q CB 0.391 29.118 28.738 -0.019 0.000 1.203 309 Q HN 0.532 nan 8.270 nan 0.000 0.415 310 D N 1.044 121.428 120.400 -0.027 0.000 2.810 310 D HA -0.220 4.420 4.640 0.000 0.000 0.224 310 D C -1.322 174.951 176.300 -0.044 0.000 1.222 310 D CA 0.204 54.184 54.000 -0.034 0.000 0.698 310 D CB -0.680 40.091 40.800 -0.048 0.000 0.961 310 D HN 0.517 nan 8.370 nan 0.000 0.403 311 C N 1.799 121.082 119.300 -0.029 0.000 2.585 311 C HA 0.570 5.030 4.460 0.000 0.000 0.406 311 C C 0.439 175.414 174.990 -0.024 0.000 1.312 311 C CA 0.035 59.031 59.018 -0.035 0.000 1.924 311 C CB -0.099 27.630 27.740 -0.018 0.000 2.578 311 C HN 0.523 nan 8.230 nan 0.000 0.580 312 T N 8.047 122.574 114.554 -0.045 0.000 2.840 312 T HA 0.479 4.829 4.350 0.000 0.000 0.287 312 T C -0.429 174.270 174.700 -0.001 0.000 0.991 312 T CA -0.217 61.883 62.100 0.000 0.000 0.964 312 T CB 1.077 69.916 68.868 -0.049 0.000 0.954 312 T HN 0.663 nan 8.240 nan 0.000 0.438 313 M N 3.047 122.696 119.600 0.081 0.000 2.578 313 M HA 0.669 5.149 4.480 0.000 0.000 0.321 313 M C -1.304 175.104 176.300 0.179 0.000 1.182 313 M CA -1.181 54.162 55.300 0.072 0.000 0.965 313 M CB 2.100 34.740 32.600 0.067 0.000 1.694 313 M HN 0.330 nan 8.290 nan 0.000 0.461 314 L N 2.411 123.704 121.223 0.117 0.000 2.441 314 L HA 0.663 5.003 4.340 0.000 0.000 0.270 314 L C -1.565 175.328 176.870 0.039 0.000 0.973 314 L CA -0.456 54.459 54.840 0.124 0.000 0.842 314 L CB 1.823 43.957 42.059 0.125 0.000 1.239 314 L HN 0.493 nan 8.230 nan 0.000 0.406 315 V N 4.200 124.129 119.914 0.024 0.000 2.540 315 V HA 0.603 4.723 4.120 0.000 0.000 0.302 315 V C -0.720 175.243 176.094 -0.218 0.000 1.035 315 V CA -0.625 61.665 62.300 -0.017 0.000 0.873 315 V CB 2.001 33.904 31.823 0.134 0.000 0.992 315 V HN 0.792 nan 8.190 nan 0.000 0.428 316 N N 3.386 121.916 118.700 -0.283 0.000 2.648 316 N HA 0.607 5.347 4.740 0.000 0.000 0.261 316 N C 0.510 175.935 175.510 -0.141 0.000 1.138 316 N CA 0.570 53.272 53.050 -0.579 0.000 0.804 316 N CB 1.697 39.743 38.487 -0.735 0.000 1.237 316 N HN 1.099 nan 8.380 nan 0.000 0.532 317 G N 2.191 111.042 108.800 0.084 0.000 2.596 317 G HA2 -0.386 3.574 3.960 0.000 0.000 0.304 317 G HA3 -0.386 3.574 3.960 0.000 0.000 0.304 317 G C 0.481 175.231 174.900 -0.250 0.000 1.189 317 G CA 0.650 45.760 45.100 0.017 0.000 0.986 317 G HN 0.607 nan 8.290 nan 0.000 0.548 318 D N 1.481 121.626 120.400 -0.424 0.000 2.340 318 D HA 0.094 4.734 4.640 0.000 0.000 0.220 318 D C -0.174 176.006 176.300 -0.201 0.000 1.039 318 D CA 0.640 54.211 54.000 -0.715 0.000 0.866 318 D CB -0.151 40.169 40.800 -0.800 0.000 0.913 318 D HN 0.412 nan 8.370 nan 0.000 0.523 319 D N 1.220 121.556 120.400 -0.106 0.000 2.280 319 D HA 0.319 4.959 4.640 0.000 0.000 0.243 319 D C -0.417 175.883 176.300 0.000 0.000 1.129 319 D CA -0.414 53.572 54.000 -0.024 0.000 0.848 319 D CB 2.214 42.988 40.800 -0.043 0.000 1.107 319 D HN 0.133 nan 8.370 nan 0.000 0.471 320 L N 2.753 124.020 121.223 0.073 0.000 2.386 320 L HA 0.501 4.841 4.340 0.000 0.000 0.271 320 L C -1.437 175.439 176.870 0.010 0.000 0.993 320 L CA -0.648 54.239 54.840 0.078 0.000 0.819 320 L CB 2.170 44.348 42.059 0.198 0.000 1.294 320 L HN 0.098 nan 8.230 nan 0.000 0.414 321 V N 5.091 124.964 119.914 -0.069 0.000 2.638 321 V HA 0.658 4.779 4.120 0.000 0.000 0.306 321 V C -0.871 175.058 176.094 -0.277 0.000 1.052 321 V CA -0.645 61.551 62.300 -0.172 0.000 0.885 321 V CB 2.105 33.862 31.823 -0.110 0.000 0.999 321 V HN 0.535 nan 8.190 nan 0.000 0.424 322 V N 5.967 125.541 119.914 -0.567 0.000 2.588 322 V HA 0.584 4.704 4.120 0.000 0.000 0.304 322 V C -0.496 175.329 176.094 -0.449 0.000 1.042 322 V CA -0.427 61.510 62.300 -0.604 0.000 0.877 322 V CB 2.012 33.183 31.823 -1.086 0.000 0.996 322 V HN 0.703 nan 8.190 nan 0.000 0.425 323 I N 4.955 125.385 120.570 -0.233 0.000 2.436 323 I HA 0.702 4.872 4.170 0.000 0.000 0.289 323 I C -0.063 175.964 176.117 -0.150 0.000 1.010 323 I CA -0.331 60.887 61.300 -0.136 0.000 1.098 323 I CB 1.754 39.714 38.000 -0.068 0.000 1.266 323 I HN 0.902 nan 8.210 nan 0.000 0.434 324 C N 2.582 121.792 119.300 -0.149 0.000 3.321 324 C HA 0.583 5.043 4.460 0.000 0.000 0.363 324 C C -0.687 174.213 174.990 -0.150 0.000 1.705 324 C CA -0.867 58.078 59.018 -0.121 0.000 1.298 324 C CB 1.877 29.585 27.740 -0.054 0.000 2.086 324 C HN 0.612 nan 8.230 nan 0.000 0.438 325 E N 1.778 121.916 120.200 -0.104 0.000 2.229 325 E HA 0.328 4.678 4.350 0.000 0.000 0.283 325 E C -0.045 176.525 176.600 -0.051 0.000 1.030 325 E CA 0.431 56.771 56.400 -0.101 0.000 0.836 325 E CB 1.783 31.437 29.700 -0.076 0.000 1.068 325 E HN 0.710 nan 8.360 nan 0.000 0.401 326 S N 1.805 117.484 115.700 -0.036 0.000 2.562 326 S HA 0.220 4.690 4.470 0.000 0.000 0.281 326 S C 0.609 175.217 174.600 0.014 0.000 1.333 326 S CA 0.198 58.423 58.200 0.041 0.000 1.052 326 S CB 0.577 63.840 63.200 0.104 0.000 0.884 326 S HN 0.539 nan 8.310 nan 0.000 0.506 327 A N 3.388 126.224 122.820 0.028 0.000 2.470 327 A HA 0.653 4.973 4.320 0.000 0.000 0.251 327 A C 0.874 178.462 177.584 0.005 0.000 1.245 327 A CA 0.290 52.332 52.037 0.008 0.000 0.932 327 A CB -0.654 18.352 19.000 0.010 0.000 1.037 327 A HN 1.831 nan 8.150 nan 0.000 0.522 328 G N -1.391 107.415 108.800 0.011 0.000 2.525 328 G HA2 0.178 4.138 3.960 0.000 0.000 0.685 328 G HA3 0.178 4.138 3.960 0.000 0.000 0.685 328 G C 0.493 175.399 174.900 0.010 0.000 1.285 328 G CA 0.190 45.282 45.100 -0.013 0.000 0.849 328 G HN 0.965 nan 8.290 nan 0.000 0.653 329 T N -1.182 113.352 114.554 -0.034 0.000 2.624 329 T HA -0.248 4.102 4.350 0.000 0.000 0.268 329 T C 2.020 176.747 174.700 0.045 0.000 1.041 329 T CA 2.377 64.481 62.100 0.006 0.000 1.159 329 T CB -0.418 68.416 68.868 -0.058 0.000 0.863 329 T HN 0.660 nan 8.240 nan 0.000 0.434 330 Q N 0.618 120.427 119.800 0.015 0.000 2.119 330 Q HA -0.102 4.238 4.340 0.000 0.000 0.201 330 Q C 2.517 178.527 176.000 0.017 0.000 0.972 330 Q CA 1.574 57.387 55.803 0.015 0.000 0.847 330 Q CB -0.146 28.594 28.738 0.004 0.000 0.903 330 Q HN 0.631 nan 8.270 nan 0.000 0.433 331 E N 0.623 120.833 120.200 0.017 0.000 2.106 331 E HA -0.161 4.189 4.350 0.000 0.000 0.192 331 E C 1.445 178.057 176.600 0.020 0.000 0.984 331 E CA 1.125 57.534 56.400 0.015 0.000 0.806 331 E CB -0.017 29.691 29.700 0.012 0.000 0.750 331 E HN 0.281 nan 8.360 nan 0.000 0.458 332 D N 0.106 120.533 120.400 0.044 0.000 2.097 332 D HA -0.081 4.559 4.640 0.000 0.000 0.197 332 D C 1.893 178.191 176.300 -0.003 0.000 0.984 332 D CA 1.508 55.535 54.000 0.044 0.000 0.826 332 D CB -0.429 40.456 40.800 0.141 0.000 0.973 332 D HN 0.190 nan 8.370 nan 0.000 0.460 333 A N 1.086 123.916 122.820 0.018 0.000 1.940 333 A HA -0.117 4.203 4.320 0.000 0.000 0.219 333 A C 2.291 179.859 177.584 -0.026 0.000 1.176 333 A CA 2.415 54.446 52.037 -0.010 0.000 0.631 333 A CB -0.696 18.313 19.000 0.015 0.000 0.814 333 A HN 0.248 nan 8.150 nan 0.000 0.446 334 A N -0.814 121.999 122.820 -0.011 0.000 1.898 334 A HA -0.028 4.292 4.320 0.000 0.000 0.216 334 A C 2.441 180.017 177.584 -0.014 0.000 1.181 334 A CA 1.934 53.966 52.037 -0.010 0.000 0.620 334 A CB -0.842 18.157 19.000 -0.001 0.000 0.819 334 A HN 0.445 nan 8.150 nan 0.000 0.442 335 S N 0.068 115.756 115.700 -0.019 0.000 2.368 335 S HA -0.088 4.382 4.470 0.000 0.000 0.225 335 S C 1.793 176.371 174.600 -0.036 0.000 1.030 335 S CA 1.375 59.566 58.200 -0.014 0.000 0.999 335 S CB -0.420 62.773 63.200 -0.013 0.000 0.844 335 S HN 0.503 nan 8.310 nan 0.000 0.459 336 L N 0.814 121.957 121.223 -0.134 0.000 2.131 336 L HA -0.066 4.274 4.340 0.000 0.000 0.210 336 L C 2.662 179.506 176.870 -0.042 0.000 1.092 336 L CA 1.168 55.866 54.840 -0.236 0.000 0.759 336 L CB -0.557 41.256 42.059 -0.410 0.000 0.903 336 L HN 0.281 nan 8.230 nan 0.000 0.435 337 R N -0.435 120.050 120.500 -0.025 0.000 2.075 337 R HA -0.103 4.237 4.340 0.000 0.000 0.232 337 R C 2.267 178.580 176.300 0.023 0.000 1.126 337 R CA 1.032 57.136 56.100 0.007 0.000 0.963 337 R CB -0.235 30.062 30.300 -0.004 0.000 0.858 337 R HN 0.189 nan 8.270 nan 0.000 0.435 338 V N 0.605 120.532 119.914 0.023 0.000 2.358 338 V HA -0.232 3.888 4.120 0.000 0.000 0.246 338 V C 1.896 178.003 176.094 0.021 0.000 1.047 338 V CA 1.583 63.891 62.300 0.013 0.000 1.035 338 V CB -0.551 31.283 31.823 0.018 0.000 0.658 338 V HN 0.222 nan 8.190 nan 0.000 0.452 339 F N 1.550 121.447 119.950 -0.089 0.000 2.095 339 F HA -0.239 4.289 4.527 0.000 0.000 0.298 339 F C 2.428 178.162 175.800 -0.110 0.000 1.104 339 F CA 2.358 60.300 58.000 -0.097 0.000 1.232 339 F CB -0.499 38.437 39.000 -0.106 0.000 0.987 339 F HN 0.111 nan 8.300 nan 0.000 0.475 340 T N -0.049 114.579 114.554 0.124 0.000 2.821 340 T HA -0.181 4.169 4.350 0.000 0.000 0.267 340 T C 1.692 176.368 174.700 -0.041 0.000 1.046 340 T CA 1.681 63.848 62.100 0.111 0.000 1.139 340 T CB -0.323 68.679 68.868 0.223 0.000 0.871 340 T HN 0.377 nan 8.240 nan 0.000 0.454 341 E N 1.019 121.180 120.200 -0.065 0.000 2.058 341 E HA -0.096 4.254 4.350 0.000 0.000 0.194 341 E C 2.529 178.997 176.600 -0.222 0.000 0.997 341 E CA 1.121 57.458 56.400 -0.105 0.000 0.801 341 E CB -0.221 29.431 29.700 -0.080 0.000 0.746 341 E HN 0.480 nan 8.360 nan 0.000 0.450 342 A N 0.962 123.592 122.820 -0.317 0.000 1.873 342 A HA -0.176 4.144 4.320 0.000 0.000 0.215 342 A C 2.138 179.267 177.584 -0.759 0.000 1.186 342 A CA 1.229 52.924 52.037 -0.570 0.000 0.616 342 A CB -0.305 18.399 19.000 -0.492 0.000 0.823 342 A HN 0.125 nan 8.150 nan 0.000 0.442 343 M N -0.148 119.131 119.600 -0.536 0.000 2.159 343 M HA -0.112 4.368 4.480 0.000 0.000 0.263 343 M C 2.151 178.374 176.300 -0.129 0.000 1.063 343 M CA 1.986 57.094 55.300 -0.321 0.000 1.110 343 M CB -1.886 30.448 32.600 -0.443 0.000 1.374 343 M HN 0.458 nan 8.290 nan 0.000 0.411 344 T N 0.124 114.603 114.554 -0.125 0.000 2.777 344 T HA -0.101 4.249 4.350 0.000 0.000 0.266 344 T C 1.969 176.617 174.700 -0.086 0.000 1.040 344 T CA 1.074 63.142 62.100 -0.054 0.000 1.141 344 T CB -0.171 68.672 68.868 -0.042 0.000 0.868 344 T HN 0.388 nan 8.240 nan 0.000 0.444 345 R N 0.148 120.532 120.500 -0.193 0.000 2.096 345 R HA -0.065 4.275 4.340 0.000 0.000 0.235 345 R C 1.907 178.170 176.300 -0.061 0.000 1.127 345 R CA 1.176 57.174 56.100 -0.170 0.000 0.968 345 R CB -0.397 29.738 30.300 -0.275 0.000 0.861 345 R HN 0.422 nan 8.270 nan 0.000 0.440 346 Y N 0.269 120.517 120.300 -0.086 0.000 2.632 346 Y HA -0.030 4.520 4.550 0.000 0.000 0.301 346 Y C 1.362 177.216 175.900 -0.076 0.000 1.172 346 Y CA 0.235 58.273 58.100 -0.104 0.000 1.328 346 Y CB -0.290 38.129 38.460 -0.068 0.000 1.016 346 Y HN 0.094 nan 8.280 nan 0.000 0.529 347 S N -1.592 114.156 115.700 0.079 0.000 2.990 347 S HA -0.182 4.288 4.470 0.000 0.000 0.273 347 S C 0.279 174.910 174.600 0.052 0.000 1.323 347 S CA 0.482 58.713 58.200 0.051 0.000 1.084 347 S CB -1.613 61.608 63.200 0.035 0.000 1.323 347 S HN 0.621 nan 8.310 nan 0.000 0.682 348 A N 1.957 124.825 122.820 0.081 0.000 3.056 348 A HA 0.614 4.934 4.320 0.000 0.000 0.328 348 A C -2.044 175.670 177.584 0.217 0.000 1.233 348 A CA -1.127 50.987 52.037 0.129 0.000 0.965 348 A CB 0.513 19.622 19.000 0.182 0.000 1.123 348 A HN 0.470 nan 8.150 nan 0.000 0.502 349 P HA 0.273 nan 4.420 nan 0.000 0.274 349 P C -2.926 174.438 177.300 0.108 0.000 1.231 349 P CA -1.324 61.848 63.100 0.119 0.000 0.790 349 P CB 0.899 32.602 31.700 0.004 0.000 0.951 350 P HA 0.078 nan 4.420 nan 0.000 0.277 350 P C 0.856 178.084 177.300 -0.121 0.000 1.240 350 P CA 0.049 63.027 63.100 -0.204 0.000 0.798 350 P CB 0.815 32.350 31.700 -0.275 0.000 0.979 351 G N 2.002 110.722 108.800 -0.132 0.000 2.454 351 G HA2 -0.035 3.925 3.960 0.000 0.000 0.214 351 G HA3 -0.035 3.925 3.960 0.000 0.000 0.214 351 G C 0.069 174.924 174.900 -0.075 0.000 1.217 351 G CA 0.495 45.551 45.100 -0.073 0.000 0.799 351 G HN 0.486 nan 8.290 nan 0.000 0.538 352 D N 0.560 120.907 120.400 -0.090 0.000 2.350 352 D HA 0.399 5.039 4.640 0.000 0.000 0.245 352 D C -2.642 173.611 176.300 -0.078 0.000 1.036 352 D CA -1.236 52.725 54.000 -0.065 0.000 0.848 352 D CB 1.960 42.732 40.800 -0.048 0.000 1.307 352 D HN -0.066 nan 8.370 nan 0.000 0.469 353 P HA 0.110 nan 4.420 nan 0.000 0.264 353 P C -2.224 175.068 177.300 -0.014 0.000 1.193 353 P CA -0.697 62.391 63.100 -0.020 0.000 0.763 353 P CB -0.139 31.556 31.700 -0.009 0.000 0.810 354 P HA 0.073 nan 4.420 nan 0.000 0.271 354 P C -1.077 176.200 177.300 -0.038 0.000 1.218 354 P CA -0.117 63.003 63.100 0.033 0.000 0.780 354 P CB 0.760 32.538 31.700 0.130 0.000 0.901 355 Q N 1.730 121.519 119.800 -0.018 0.000 2.347 355 Q HA 0.617 4.957 4.340 0.000 0.000 0.271 355 Q C -2.931 173.042 176.000 -0.044 0.000 1.064 355 Q CA -2.504 53.275 55.803 -0.039 0.000 0.800 355 Q CB 1.623 30.356 28.738 -0.008 0.000 1.304 355 Q HN 0.189 nan 8.270 nan 0.000 0.438 356 P HA 0.055 nan 4.420 nan 0.000 0.268 356 P C -0.942 176.210 177.300 -0.246 0.000 1.205 356 P CA 0.188 63.187 63.100 -0.169 0.000 0.771 356 P CB 0.607 32.213 31.700 -0.156 0.000 0.858 357 E N 1.709 121.700 120.200 -0.349 0.000 2.293 357 E HA 0.243 4.593 4.350 0.000 0.000 0.270 357 E C -0.720 175.648 176.600 -0.387 0.000 0.879 357 E CA -0.370 55.877 56.400 -0.256 0.000 0.756 357 E CB 1.521 31.180 29.700 -0.069 0.000 1.208 357 E HN 0.417 nan 8.360 nan 0.000 0.428 358 Y N -0.038 120.404 120.300 0.237 0.000 2.682 358 Y HA 0.224 4.774 4.550 -0.000 0.000 0.251 358 Y C 0.008 176.147 175.900 0.398 0.000 1.172 358 Y CA -0.427 57.890 58.100 0.361 0.000 1.186 358 Y CB 1.026 39.598 38.460 0.187 0.000 1.216 358 Y HN 0.227 nan 8.280 nan 0.000 0.540 359 D N 0.373 120.879 120.400 0.177 0.000 2.736 359 D HA 0.106 4.746 4.640 0.000 0.000 0.243 359 D C 0.549 176.501 176.300 -0.580 0.000 1.304 359 D CA -0.322 53.605 54.000 -0.123 0.000 0.934 359 D CB 1.833 42.610 40.800 -0.038 0.000 1.382 359 D HN 0.146 nan 8.370 nan 0.000 0.571 360 L N 4.389 124.859 121.223 -1.256 0.000 2.081 360 L HA -0.105 4.235 4.340 0.000 0.000 0.212 360 L C 1.648 178.176 176.870 -0.569 0.000 1.080 360 L CA 2.032 56.135 54.840 -1.228 0.000 0.754 360 L CB -0.308 40.921 42.059 -1.383 0.000 0.893 360 L HN 0.519 nan 8.230 nan 0.000 0.433 361 E N -0.736 119.220 120.200 -0.407 0.000 2.333 361 E HA -0.178 4.172 4.350 0.000 0.000 0.198 361 E C 2.024 178.519 176.600 -0.175 0.000 1.007 361 E CA 0.908 57.166 56.400 -0.238 0.000 0.845 361 E CB -0.191 29.412 29.700 -0.161 0.000 0.766 361 E HN 0.555 nan 8.360 nan 0.000 0.507 362 L N 0.755 121.872 121.223 -0.177 0.000 2.558 362 L HA 0.131 4.471 4.340 0.000 0.000 0.225 362 L C 0.765 177.575 176.870 -0.100 0.000 1.128 362 L CA -0.026 54.749 54.840 -0.108 0.000 0.868 362 L CB 0.106 42.123 42.059 -0.071 0.000 1.006 362 L HN 0.043 nan 8.230 nan 0.000 0.454 363 I N 0.190 120.675 120.570 -0.143 0.000 2.352 363 I HA 0.092 4.262 4.170 0.000 0.000 0.290 363 I C 0.016 176.082 176.117 -0.084 0.000 1.036 363 I CA 0.193 61.431 61.300 -0.104 0.000 1.336 363 I CB 1.231 39.150 38.000 -0.134 0.000 1.407 363 I HN -0.089 nan 8.210 nan 0.000 0.497 364 T N 5.016 119.541 114.554 -0.047 0.000 2.797 364 T HA 0.534 4.884 4.350 0.000 0.000 0.279 364 T C -0.359 174.331 174.700 -0.016 0.000 0.991 364 T CA -0.652 61.429 62.100 -0.031 0.000 0.979 364 T CB 1.199 70.054 68.868 -0.022 0.000 0.943 364 T HN 0.728 nan 8.240 nan 0.000 0.444 365 S N 0.521 116.216 115.700 -0.009 0.000 2.543 365 S HA 0.433 4.903 4.470 0.000 0.000 0.271 365 S C 0.088 174.699 174.600 0.018 0.000 1.148 365 S CA -0.838 57.361 58.200 -0.002 0.000 0.914 365 S CB 0.497 63.683 63.200 -0.024 0.000 1.096 365 S HN 0.947 nan 8.310 nan 0.000 0.471 366 C N 1.604 120.920 119.300 0.028 0.000 4.397 366 C HA -0.154 4.306 4.460 0.000 0.000 0.291 366 C C 1.573 176.620 174.990 0.095 0.000 1.408 366 C CA 1.056 60.110 59.018 0.060 0.000 1.971 366 C CB -3.125 24.648 27.740 0.056 0.000 1.258 366 C HN 2.248 nan 8.230 nan 0.000 0.795 367 S N -1.534 114.203 115.700 0.062 0.000 3.146 367 S HA -0.216 4.254 4.470 0.000 0.000 0.285 367 S C 0.300 174.932 174.600 0.055 0.000 1.293 367 S CA 1.448 59.677 58.200 0.048 0.000 1.137 367 S CB -0.824 62.410 63.200 0.057 0.000 1.357 367 S HN 1.203 nan 8.310 nan 0.000 0.678 368 S N 1.967 117.719 115.700 0.085 0.000 2.664 368 S HA 0.786 5.256 4.470 0.000 0.000 0.304 368 S C -0.378 174.245 174.600 0.038 0.000 1.099 368 S CA -0.360 57.908 58.200 0.112 0.000 1.003 368 S CB 1.623 64.961 63.200 0.230 0.000 1.092 368 S HN 0.730 nan 8.310 nan 0.000 0.525 369 N N -0.814 117.898 118.700 0.020 0.000 2.494 369 N HA 0.372 5.112 4.740 0.000 0.000 0.270 369 N C -1.647 173.805 175.510 -0.095 0.000 1.285 369 N CA -0.619 52.399 53.050 -0.053 0.000 0.812 369 N CB 1.019 39.464 38.487 -0.070 0.000 1.557 369 N HN 0.313 nan 8.380 nan 0.000 0.487 370 V N 0.537 120.360 119.914 -0.152 0.000 2.583 370 V HA 0.416 4.536 4.120 0.000 0.000 0.287 370 V C 0.495 176.445 176.094 -0.239 0.000 1.051 370 V CA -0.006 62.175 62.300 -0.200 0.000 1.010 370 V CB 0.884 32.583 31.823 -0.207 0.000 0.988 370 V HN 0.837 nan 8.190 nan 0.000 0.478 371 S N 3.014 118.466 115.700 -0.412 0.000 2.697 371 S HA 0.810 5.280 4.470 0.000 0.000 0.289 371 S C -1.246 173.141 174.600 -0.355 0.000 1.149 371 S CA -0.493 57.469 58.200 -0.398 0.000 0.850 371 S CB 2.085 65.001 63.200 -0.473 0.000 1.151 371 S HN 0.635 nan 8.310 nan 0.000 0.491 372 V N 1.084 120.915 119.914 -0.138 0.000 2.823 372 V HA 0.992 5.112 4.120 0.000 0.000 0.312 372 V C -0.313 175.724 176.094 -0.094 0.000 1.072 372 V CA 0.238 62.434 62.300 -0.174 0.000 0.937 372 V CB 1.346 32.956 31.823 -0.355 0.000 1.013 372 V HN 1.299 nan 8.190 nan 0.000 0.430 373 A N 4.392 127.026 122.820 -0.310 0.000 2.533 373 A HA 0.871 5.191 4.320 0.000 0.000 0.293 373 A C -1.411 175.708 177.584 -0.775 0.000 1.228 373 A CA -0.600 51.110 52.037 -0.544 0.000 0.689 373 A CB 1.765 20.294 19.000 -0.784 0.000 1.303 373 A HN 0.918 nan 8.150 nan 0.000 0.444 374 H N 0.476 119.211 119.070 -0.558 0.000 2.572 374 H HA 0.423 4.979 4.556 0.000 0.000 0.359 374 H C -1.088 173.905 175.328 -0.559 0.000 1.134 374 H CA -0.258 55.475 56.048 -0.525 0.000 1.187 374 H CB 1.906 31.334 29.762 -0.556 0.000 1.597 374 H HN 0.914 nan 8.280 nan 0.000 0.524 375 D N 0.614 120.908 120.400 -0.176 0.000 2.506 375 D HA 0.245 4.885 4.640 0.000 0.000 0.272 375 D C 1.359 177.710 176.300 0.085 0.000 1.214 375 D CA -0.355 53.602 54.000 -0.071 0.000 1.067 375 D CB 0.416 41.190 40.800 -0.043 0.000 1.117 375 D HN 0.433 nan 8.370 nan 0.000 0.578 376 A N 0.166 123.060 122.820 0.125 0.000 1.903 376 A HA -0.244 4.076 4.320 0.000 0.000 0.219 376 A C 2.092 179.750 177.584 0.125 0.000 1.191 376 A CA 3.303 55.428 52.037 0.148 0.000 0.638 376 A CB -1.551 17.501 19.000 0.088 0.000 0.823 376 A HN 0.735 nan 8.150 nan 0.000 0.451 377 S N -1.800 113.947 115.700 0.079 0.000 2.547 377 S HA 0.294 4.764 4.470 0.000 0.000 0.235 377 S C 1.542 176.179 174.600 0.062 0.000 0.980 377 S CA 1.268 59.502 58.200 0.057 0.000 0.941 377 S CB -0.504 62.718 63.200 0.037 0.000 0.763 377 S HN 2.129 nan 8.310 nan 0.000 0.532 378 G N 1.373 110.228 108.800 0.092 0.000 2.175 378 G HA2 -0.289 3.671 3.960 0.000 0.000 0.244 378 G HA3 -0.289 3.671 3.960 0.000 0.000 0.244 378 G C -0.070 174.899 174.900 0.116 0.000 0.982 378 G CA 0.153 45.294 45.100 0.067 0.000 0.641 378 G HN 0.959 nan 8.290 nan 0.000 0.527 379 K N 0.636 121.089 120.400 0.089 0.000 2.185 379 K HA 0.652 4.972 4.320 0.000 0.000 0.271 379 K C 0.448 177.053 176.600 0.008 0.000 1.013 379 K CA -0.863 55.468 56.287 0.074 0.000 0.943 379 K CB 1.111 33.623 32.500 0.019 0.000 0.998 379 K HN 0.249 nan 8.250 nan 0.000 0.468 380 R N 1.278 121.723 120.500 -0.091 0.000 2.570 380 R HA 0.121 4.461 4.340 0.000 0.000 0.277 380 R C -0.620 175.436 176.300 -0.406 0.000 1.039 380 R CA -0.226 55.616 56.100 -0.430 0.000 1.065 380 R CB 0.575 30.618 30.300 -0.428 0.000 0.964 380 R HN 0.378 nan 8.270 nan 0.000 0.428 381 V N 4.255 123.868 119.914 -0.502 0.000 2.638 381 V HA 0.274 4.394 4.120 0.000 0.000 0.306 381 V C -1.028 174.857 176.094 -0.348 0.000 1.052 381 V CA -0.900 61.209 62.300 -0.318 0.000 0.885 381 V CB 1.483 33.188 31.823 -0.197 0.000 0.999 381 V HN 0.564 nan 8.190 nan 0.000 0.424 382 Y N 4.783 125.063 120.300 -0.032 0.000 2.352 382 Y HA 0.712 5.262 4.550 0.000 0.000 0.326 382 Y C -0.033 175.904 175.900 0.061 0.000 1.166 382 Y CA -0.348 57.729 58.100 -0.039 0.000 1.182 382 Y CB 1.414 39.816 38.460 -0.096 0.000 1.216 382 Y HN 0.727 nan 8.280 nan 0.000 0.474 383 Y N 0.109 120.453 120.300 0.073 0.000 2.638 383 Y HA 0.678 5.228 4.550 -0.000 0.000 0.335 383 Y C -2.245 173.702 175.900 0.079 0.000 1.155 383 Y CA -1.935 56.193 58.100 0.046 0.000 1.046 383 Y CB 0.694 39.149 38.460 -0.008 0.000 1.303 383 Y HN 0.461 nan 8.280 nan 0.000 0.460 384 L N 2.165 123.460 121.223 0.121 0.000 2.289 384 L HA 0.751 5.091 4.340 0.000 0.000 0.285 384 L C 0.030 177.125 176.870 0.375 0.000 1.049 384 L CA 0.438 55.348 54.840 0.117 0.000 0.804 384 L CB 1.353 43.494 42.059 0.136 0.000 1.195 384 L HN 1.038 nan 8.230 nan 0.000 0.428 385 T N 4.378 119.105 114.554 0.287 0.000 2.716 385 T HA 0.889 5.239 4.350 0.000 0.000 0.286 385 T C -1.181 173.662 174.700 0.238 0.000 1.052 385 T CA -0.558 61.794 62.100 0.419 0.000 1.024 385 T CB 1.153 70.257 68.868 0.394 0.000 1.349 385 T HN 0.851 nan 8.240 nan 0.000 0.525 386 R N 0.378 120.937 120.500 0.097 0.000 2.741 386 R HA 0.438 4.778 4.340 0.000 0.000 0.276 386 R C -1.693 174.420 176.300 -0.312 0.000 1.028 386 R CA -0.987 55.047 56.100 -0.109 0.000 0.865 386 R CB 0.251 30.435 30.300 -0.193 0.000 1.268 386 R HN 0.503 nan 8.270 nan 0.000 0.475 387 D N 1.957 122.182 120.400 -0.293 0.000 2.450 387 D HA 0.067 4.707 4.640 0.000 0.000 0.247 387 D C -1.346 174.577 176.300 -0.629 0.000 1.162 387 D CA -1.404 52.377 54.000 -0.365 0.000 0.879 387 D CB 1.313 41.984 40.800 -0.215 0.000 1.163 387 D HN 0.366 nan 8.370 nan 0.000 0.472 388 P HA -0.016 nan 4.420 nan 0.000 0.249 388 P C 1.111 178.085 177.300 -0.543 0.000 1.229 388 P CA 0.163 62.583 63.100 -1.133 0.000 0.788 388 P CB 0.379 31.285 31.700 -1.323 0.000 1.072 389 T N 0.173 114.519 114.554 -0.346 0.000 2.607 389 T HA -0.140 4.210 4.350 0.000 0.000 0.267 389 T C 1.822 176.445 174.700 -0.129 0.000 1.049 389 T CA 2.479 64.471 62.100 -0.181 0.000 1.162 389 T CB -1.164 67.639 68.868 -0.108 0.000 0.863 389 T HN 0.199 nan 8.240 nan 0.000 0.424 390 T N 2.264 116.751 114.554 -0.111 0.000 2.708 390 T HA -0.065 4.285 4.350 0.000 0.000 0.266 390 T C -0.528 174.126 174.700 -0.077 0.000 1.037 390 T CA 1.318 63.386 62.100 -0.054 0.000 1.146 390 T CB -1.231 67.644 68.868 0.012 0.000 0.865 390 T HN 0.336 nan 8.240 nan 0.000 0.435 391 P HA 0.003 nan 4.420 nan 0.000 0.215 391 P C 1.496 178.818 177.300 0.037 0.000 1.153 391 P CA 0.907 63.996 63.100 -0.018 0.000 0.853 391 P CB -0.168 31.489 31.700 -0.072 0.000 0.788 392 L N -1.419 119.778 121.223 -0.044 0.000 2.093 392 L HA -0.118 4.223 4.340 0.000 0.000 0.208 392 L C 2.453 179.330 176.870 0.012 0.000 1.085 392 L CA 1.369 56.201 54.840 -0.012 0.000 0.755 392 L CB -1.115 40.897 42.059 -0.079 0.000 0.904 392 L HN -0.053 nan 8.230 nan 0.000 0.435 393 A N 0.332 123.150 122.820 -0.005 0.000 1.902 393 A HA -0.195 4.125 4.320 0.000 0.000 0.217 393 A C 2.381 180.006 177.584 0.068 0.000 1.181 393 A CA 1.469 53.518 52.037 0.019 0.000 0.623 393 A CB -0.415 18.575 19.000 -0.015 0.000 0.818 393 A HN 0.331 nan 8.150 nan 0.000 0.443 394 R N -0.653 119.871 120.500 0.040 0.000 2.115 394 R HA 0.061 4.401 4.340 0.000 0.000 0.226 394 R C 2.427 178.873 176.300 0.244 0.000 1.100 394 R CA 0.905 57.057 56.100 0.087 0.000 0.980 394 R CB -0.386 29.911 30.300 -0.005 0.000 0.875 394 R HN 0.499 nan 8.270 nan 0.000 0.445 395 A N 1.505 124.479 122.820 0.256 0.000 1.902 395 A HA -0.118 4.202 4.320 0.000 0.000 0.217 395 A C 2.368 180.154 177.584 0.336 0.000 1.181 395 A CA 1.716 54.008 52.037 0.425 0.000 0.623 395 A CB -0.549 18.687 19.000 0.394 0.000 0.818 395 A HN 0.374 nan 8.150 nan 0.000 0.443 396 A N -1.433 121.487 122.820 0.167 0.000 1.898 396 A HA -0.160 4.160 4.320 0.000 0.000 0.216 396 A C 2.106 179.792 177.584 0.171 0.000 1.181 396 A CA 1.336 53.427 52.037 0.090 0.000 0.620 396 A CB -0.857 18.151 19.000 0.012 0.000 0.819 396 A HN 0.837 nan 8.150 nan 0.000 0.442 397 W N 1.044 122.373 121.300 0.049 0.000 2.358 397 W HA -0.142 4.518 4.660 -0.000 0.000 0.303 397 W C 1.534 178.103 176.519 0.084 0.000 1.208 397 W CA 1.911 59.285 57.345 0.047 0.000 1.274 397 W CB -0.244 29.223 29.460 0.012 0.000 1.138 397 W HN 0.533 nan 8.180 nan 0.000 0.515 398 E N -0.846 119.604 120.200 0.417 0.000 2.347 398 E HA -0.120 4.231 4.350 0.000 0.000 0.196 398 E C 2.002 178.770 176.600 0.281 0.000 1.008 398 E CA 1.458 58.081 56.400 0.372 0.000 0.852 398 E CB -0.020 29.952 29.700 0.453 0.000 0.783 398 E HN 0.058 nan 8.360 nan 0.000 0.505 399 T N -0.012 114.687 114.554 0.242 0.000 2.937 399 T HA 0.022 4.372 4.350 0.000 0.000 0.260 399 T C 1.827 176.525 174.700 -0.002 0.000 1.051 399 T CA 0.892 63.089 62.100 0.162 0.000 1.141 399 T CB 0.080 69.064 68.868 0.193 0.000 0.879 399 T HN 0.210 nan 8.240 nan 0.000 0.459 400 A N 1.682 124.457 122.820 -0.075 0.000 1.861 400 A HA 0.191 4.512 4.320 0.000 0.000 0.212 400 A C 1.321 178.727 177.584 -0.296 0.000 1.199 400 A CA 0.554 52.479 52.037 -0.187 0.000 0.613 400 A CB -0.012 18.844 19.000 -0.239 0.000 0.846 400 A HN 0.333 nan 8.150 nan 0.000 0.446 401 R N 0.069 120.365 120.500 -0.341 0.000 2.540 401 R HA 0.418 4.758 4.340 0.000 0.000 0.287 401 R C -1.124 175.097 176.300 -0.132 0.000 0.980 401 R CA -0.721 55.206 56.100 -0.290 0.000 0.966 401 R CB 0.729 30.842 30.300 -0.311 0.000 1.106 401 R HN 0.421 nan 8.270 nan 0.000 0.480 402 H N 1.821 120.923 119.070 0.053 0.000 2.864 402 H HA 0.099 4.655 4.556 0.000 0.000 0.281 402 H C 0.159 175.553 175.328 0.111 0.000 1.093 402 H CA 0.028 56.130 56.048 0.089 0.000 1.453 402 H CB 0.758 30.559 29.762 0.065 0.000 1.462 402 H HN 0.590 nan 8.280 nan 0.000 0.480 403 T N 0.683 115.391 114.554 0.257 0.000 2.925 403 T HA 0.302 4.652 4.350 0.000 0.000 0.285 403 T C -1.458 173.307 174.700 0.109 0.000 1.021 403 T CA -1.899 60.314 62.100 0.189 0.000 1.042 403 T CB 1.997 70.994 68.868 0.214 0.000 1.037 403 T HN 0.151 nan 8.240 nan 0.000 0.481 404 P HA 0.100 nan 4.420 nan 0.000 0.216 404 P C -0.167 177.096 177.300 -0.062 0.000 1.153 404 P CA 0.321 63.388 63.100 -0.055 0.000 0.844 404 P CB 0.085 31.728 31.700 -0.096 0.000 0.787 405 V N 1.146 121.038 119.914 -0.036 0.000 2.370 405 V HA 0.186 4.306 4.120 0.000 0.000 0.279 405 V C -0.245 175.818 176.094 -0.051 0.000 1.029 405 V CA -0.659 61.606 62.300 -0.058 0.000 0.870 405 V CB 0.943 32.731 31.823 -0.058 0.000 0.984 405 V HN -0.023 nan 8.190 nan 0.000 0.451 406 N N 2.729 121.344 118.700 -0.141 0.000 2.602 406 N HA 0.132 4.873 4.740 0.000 0.000 0.238 406 N C 1.306 176.598 175.510 -0.363 0.000 1.084 406 N CA 0.066 52.953 53.050 -0.272 0.000 0.952 406 N CB 1.108 39.242 38.487 -0.587 0.000 1.244 406 N HN 0.777 nan 8.380 nan 0.000 0.512 407 S N 1.771 117.394 115.700 -0.129 0.000 2.423 407 S HA -0.137 4.333 4.470 0.000 0.000 0.231 407 S C 1.642 176.215 174.600 -0.046 0.000 1.014 407 S CA 0.228 58.390 58.200 -0.064 0.000 0.965 407 S CB -0.402 62.812 63.200 0.024 0.000 0.785 407 S HN 0.808 nan 8.310 nan 0.000 0.495 408 W N 1.182 122.406 121.300 -0.126 0.000 2.388 408 W HA 0.030 4.690 4.660 0.000 0.000 0.294 408 W C 1.649 178.086 176.519 -0.136 0.000 1.212 408 W CA 0.360 57.596 57.345 -0.182 0.000 1.271 408 W CB -1.085 27.939 29.460 -0.727 0.000 1.126 408 W HN 0.360 nan 8.180 nan 0.000 0.535 409 L N 2.856 123.434 121.223 -1.075 0.000 2.056 409 L HA 0.149 4.489 4.340 0.000 0.000 0.207 409 L C 2.659 179.328 176.870 -0.334 0.000 1.078 409 L CA 2.779 57.068 54.840 -0.919 0.000 0.749 409 L CB -1.370 39.933 42.059 -1.260 0.000 0.901 409 L HN 0.043 nan 8.230 nan 0.000 0.433 410 G N -0.901 107.739 108.800 -0.266 0.000 2.418 410 G HA2 -0.316 3.644 3.960 0.000 0.000 0.217 410 G HA3 -0.316 3.644 3.960 0.000 0.000 0.217 410 G C 1.439 176.355 174.900 0.026 0.000 1.158 410 G CA 1.017 46.051 45.100 -0.110 0.000 0.771 410 G HN 0.563 nan 8.290 nan 0.000 0.545 411 N N -0.080 118.691 118.700 0.118 0.000 2.188 411 N HA 0.014 4.754 4.740 0.000 0.000 0.184 411 N C 2.148 177.792 175.510 0.223 0.000 1.018 411 N CA 0.502 53.742 53.050 0.316 0.000 0.858 411 N CB -0.099 38.640 38.487 0.420 0.000 0.989 411 N HN 0.279 nan 8.380 nan 0.000 0.426 412 I N 0.876 121.536 120.570 0.149 0.000 2.226 412 I HA -0.241 3.929 4.170 0.000 0.000 0.245 412 I C 1.904 178.072 176.117 0.084 0.000 1.100 412 I CA 1.033 62.406 61.300 0.122 0.000 1.374 412 I CB -0.146 37.986 38.000 0.221 0.000 1.057 412 I HN 0.170 nan 8.210 nan 0.000 0.413 413 I N -0.117 120.504 120.570 0.085 0.000 2.163 413 I HA -0.287 3.883 4.170 0.000 0.000 0.240 413 I C 2.530 178.746 176.117 0.164 0.000 1.081 413 I CA 1.186 62.562 61.300 0.128 0.000 1.353 413 I CB -0.257 37.804 38.000 0.101 0.000 1.054 413 I HN 0.195 nan 8.210 nan 0.000 0.407 414 M N -0.437 119.191 119.600 0.048 0.000 2.175 414 M HA -0.149 4.331 4.480 0.000 0.000 0.264 414 M C 1.237 177.349 176.300 -0.314 0.000 1.063 414 M CA 1.834 57.058 55.300 -0.127 0.000 1.119 414 M CB -0.842 31.581 32.600 -0.295 0.000 1.377 414 M HN 0.212 nan 8.290 nan 0.000 0.415 415 Y N -0.661 119.629 120.300 -0.016 0.000 2.720 415 Y HA 0.469 5.019 4.550 0.000 0.000 0.277 415 Y C 1.818 177.454 175.900 -0.440 0.000 1.144 415 Y CA -0.241 57.731 58.100 -0.212 0.000 1.221 415 Y CB -0.916 37.364 38.460 -0.301 0.000 1.163 415 Y HN 0.162 nan 8.280 nan 0.000 0.537 416 A N 0.975 123.596 122.820 -0.332 0.000 1.958 416 A HA -0.192 4.128 4.320 0.000 0.000 0.221 416 A C -0.393 176.916 177.584 -0.458 0.000 1.178 416 A CA 1.844 53.659 52.037 -0.369 0.000 0.642 416 A CB -1.377 17.432 19.000 -0.317 0.000 0.816 416 A HN 0.297 nan 8.150 nan 0.000 0.453 417 P HA 0.010 nan 4.420 nan 0.000 0.229 417 P C 0.727 177.731 177.300 -0.493 0.000 1.160 417 P CA 1.249 64.056 63.100 -0.489 0.000 0.777 417 P CB -0.372 31.056 31.700 -0.453 0.000 0.814 418 T N -2.363 111.908 114.554 -0.472 0.000 2.900 418 T HA 0.057 4.407 4.350 0.000 0.000 0.307 418 T C 1.133 175.418 174.700 -0.692 0.000 1.065 418 T CA -0.579 61.199 62.100 -0.536 0.000 1.105 418 T CB 0.465 68.841 68.868 -0.821 0.000 0.979 418 T HN -0.191 nan 8.240 nan 0.000 0.544 419 L N 1.953 122.700 121.223 -0.793 0.000 2.017 419 L HA 0.034 4.374 4.340 0.000 0.000 0.208 419 L C 2.394 178.934 176.870 -0.550 0.000 1.073 419 L CA 1.608 55.916 54.840 -0.888 0.000 0.745 419 L CB -1.081 40.372 42.059 -1.011 0.000 0.894 419 L HN 0.930 nan 8.230 nan 0.000 0.432 420 W N -0.781 120.296 121.300 -0.372 0.000 2.436 420 W HA 0.088 4.748 4.660 -0.000 0.000 0.284 420 W C 1.952 178.321 176.519 -0.250 0.000 1.225 420 W CA 0.826 57.987 57.345 -0.305 0.000 1.271 420 W CB -1.391 27.927 29.460 -0.235 0.000 1.114 420 W HN 0.320 nan 8.180 nan 0.000 0.559 421 A N 1.841 124.171 122.820 -0.816 0.000 1.929 421 A HA -0.089 4.231 4.320 0.000 0.000 0.216 421 A C 2.261 179.673 177.584 -0.287 0.000 1.176 421 A CA 1.502 53.220 52.037 -0.533 0.000 0.628 421 A CB -0.656 17.895 19.000 -0.749 0.000 0.816 421 A HN 0.284 nan 8.150 nan 0.000 0.444 422 R N -0.921 119.329 120.500 -0.417 0.000 2.057 422 R HA 0.078 4.418 4.340 0.000 0.000 0.229 422 R C 2.243 178.327 176.300 -0.360 0.000 1.136 422 R CA 1.630 57.501 56.100 -0.381 0.000 0.952 422 R CB -0.363 29.566 30.300 -0.620 0.000 0.848 422 R HN 0.476 nan 8.270 nan 0.000 0.430 423 M N -0.121 119.110 119.600 -0.615 0.000 2.254 423 M HA -0.036 4.444 4.480 0.000 0.000 0.265 423 M C 1.909 178.091 176.300 -0.196 0.000 1.066 423 M CA 1.553 56.567 55.300 -0.477 0.000 1.123 423 M CB 0.072 32.333 32.600 -0.564 0.000 1.388 423 M HN 0.137 nan 8.290 nan 0.000 0.425 424 I N -0.937 119.388 120.570 -0.409 0.000 2.900 424 I HA -0.092 4.078 4.170 0.000 0.000 0.251 424 I C 2.083 178.010 176.117 -0.316 0.000 1.102 424 I CA 0.284 61.102 61.300 -0.803 0.000 1.457 424 I CB -0.208 37.269 38.000 -0.871 0.000 1.285 424 I HN 0.125 nan 8.210 nan 0.000 0.459 425 L N 0.351 121.571 121.223 -0.006 0.000 1.994 425 L HA -0.210 4.130 4.340 0.000 0.000 0.208 425 L C 2.704 179.863 176.870 0.481 0.000 1.071 425 L CA 1.715 56.750 54.840 0.324 0.000 0.745 425 L CB -0.454 41.840 42.059 0.392 0.000 0.892 425 L HN 0.281 nan 8.230 nan 0.000 0.431 426 M N -0.883 118.966 119.600 0.415 0.000 2.086 426 M HA -0.192 4.288 4.480 0.000 0.000 0.261 426 M C 2.327 179.125 176.300 0.830 0.000 1.067 426 M CA 2.105 57.771 55.300 0.611 0.000 1.116 426 M CB -0.649 32.122 32.600 0.285 0.000 1.348 426 M HN 0.279 nan 8.290 nan 0.000 0.407 427 T N -1.251 113.756 114.554 0.755 0.000 2.622 427 T HA -0.243 4.107 4.350 0.000 0.000 0.266 427 T C 1.643 176.623 174.700 0.467 0.000 1.047 427 T CA 2.014 64.531 62.100 0.694 0.000 1.159 427 T CB -0.639 68.666 68.868 0.728 0.000 0.863 427 T HN 0.464 nan 8.240 nan 0.000 0.422 428 H N 0.502 119.720 119.070 0.246 0.000 2.290 428 H HA -0.076 4.480 4.556 -0.000 0.000 0.298 428 H C 1.811 176.980 175.328 -0.265 0.000 1.087 428 H CA 1.805 57.846 56.048 -0.011 0.000 1.291 428 H CB -0.536 29.043 29.762 -0.305 0.000 1.369 428 H HN 0.358 nan 8.280 nan 0.000 0.492 429 F N -1.273 118.632 119.950 -0.075 0.000 2.259 429 F HA -0.000 4.527 4.527 0.000 0.000 0.298 429 F C 2.005 177.650 175.800 -0.259 0.000 1.088 429 F CA 0.527 58.259 58.000 -0.446 0.000 1.358 429 F CB -0.511 37.834 39.000 -1.092 0.000 1.040 429 F HN 0.145 nan 8.300 nan 0.000 0.505 430 F N -0.751 119.305 119.950 0.176 0.000 2.407 430 F HA -0.132 4.395 4.527 -0.000 0.000 0.299 430 F C 2.650 178.488 175.800 0.063 0.000 1.097 430 F CA 1.190 59.308 58.000 0.196 0.000 1.422 430 F CB -0.594 38.619 39.000 0.354 0.000 1.067 430 F HN -0.104 nan 8.300 nan 0.000 0.539 431 S N 0.309 116.094 115.700 0.142 0.000 2.368 431 S HA -0.143 4.327 4.470 0.000 0.000 0.224 431 S C 2.110 176.677 174.600 -0.056 0.000 1.029 431 S CA 1.271 59.481 58.200 0.015 0.000 0.988 431 S CB -0.346 62.836 63.200 -0.031 0.000 0.838 431 S HN 0.333 nan 8.310 nan 0.000 0.462 432 I N 1.199 121.677 120.570 -0.153 0.000 2.286 432 I HA -0.123 4.047 4.170 0.000 0.000 0.245 432 I C 2.079 178.167 176.117 -0.047 0.000 1.104 432 I CA 0.961 62.172 61.300 -0.148 0.000 1.397 432 I CB -0.312 37.537 38.000 -0.252 0.000 1.072 432 I HN 0.294 nan 8.210 nan 0.000 0.417 433 L N 0.149 121.354 121.223 -0.030 0.000 2.191 433 L HA -0.200 4.140 4.340 0.000 0.000 0.212 433 L C 2.481 179.378 176.870 0.044 0.000 1.103 433 L CA 1.056 55.903 54.840 0.011 0.000 0.769 433 L CB -0.465 41.577 42.059 -0.029 0.000 0.908 433 L HN 0.296 nan 8.230 nan 0.000 0.438 434 L N -0.318 120.941 121.223 0.060 0.000 2.005 434 L HA -0.179 4.161 4.340 0.000 0.000 0.207 434 L C 2.926 179.817 176.870 0.035 0.000 1.072 434 L CA 1.274 56.154 54.840 0.067 0.000 0.744 434 L CB -0.605 41.496 42.059 0.070 0.000 0.895 434 L HN 0.228 nan 8.230 nan 0.000 0.433 435 A N -0.387 122.442 122.820 0.014 0.000 1.883 435 A HA -0.265 4.055 4.320 0.000 0.000 0.217 435 A C 2.054 179.646 177.584 0.013 0.000 1.186 435 A CA 1.713 53.753 52.037 0.005 0.000 0.624 435 A CB -0.559 18.433 19.000 -0.013 0.000 0.822 435 A HN 0.568 nan 8.150 nan 0.000 0.444 436 Q N -0.680 119.131 119.800 0.018 0.000 2.444 436 Q HA 0.058 4.398 4.340 0.000 0.000 0.206 436 Q C -0.710 175.310 176.000 0.033 0.000 0.948 436 Q CA 0.402 56.222 55.803 0.028 0.000 0.946 436 Q CB -0.042 28.719 28.738 0.038 0.000 1.027 436 Q HN 0.735 nan 8.270 nan 0.000 0.513 437 E N 0.512 120.734 120.200 0.036 0.000 2.269 437 E HA -0.267 4.083 4.350 0.000 0.000 0.223 437 E C -0.372 176.256 176.600 0.046 0.000 1.244 437 E CA 0.286 56.711 56.400 0.042 0.000 0.713 437 E CB -1.183 28.537 29.700 0.034 0.000 1.178 437 E HN 0.483 nan 8.360 nan 0.000 0.370 438 Q N -0.288 119.543 119.800 0.052 0.000 2.141 438 Q HA 0.227 4.567 4.340 0.000 0.000 0.248 438 Q C 1.389 177.428 176.000 0.064 0.000 0.834 438 Q CA -0.247 55.589 55.803 0.055 0.000 1.096 438 Q CB 0.495 29.267 28.738 0.057 0.000 1.189 438 Q HN 0.395 nan 8.270 nan 0.000 0.471 439 L N -0.091 121.176 121.223 0.074 0.000 2.275 439 L HA -0.146 4.194 4.340 0.000 0.000 0.215 439 L C 1.840 178.765 176.870 0.092 0.000 1.119 439 L CA 1.098 55.993 54.840 0.092 0.000 0.790 439 L CB 0.112 42.256 42.059 0.142 0.000 0.919 439 L HN 0.251 nan 8.230 nan 0.000 0.443 440 E N 0.115 120.361 120.200 0.077 0.000 2.447 440 E HA -0.029 4.321 4.350 0.000 0.000 0.195 440 E C 0.753 177.390 176.600 0.062 0.000 1.028 440 E CA 0.070 56.512 56.400 0.069 0.000 0.876 440 E CB 0.340 30.075 29.700 0.059 0.000 0.885 440 E HN 0.089 nan 8.360 nan 0.000 0.500 441 K N 0.756 121.192 120.400 0.060 0.000 2.349 441 K HA 0.298 4.618 4.320 0.000 0.000 0.288 441 K C -0.672 175.962 176.600 0.057 0.000 1.058 441 K CA -0.197 56.123 56.287 0.055 0.000 0.953 441 K CB 0.689 33.221 32.500 0.053 0.000 0.997 441 K HN 0.052 nan 8.250 nan 0.000 0.477 442 A N 5.150 128.001 122.820 0.052 0.000 2.425 442 A HA 0.349 4.669 4.320 0.000 0.000 0.249 442 A C -0.511 177.093 177.584 0.034 0.000 1.084 442 A CA -0.273 51.793 52.037 0.047 0.000 0.781 442 A CB 0.186 19.220 19.000 0.057 0.000 1.019 442 A HN 0.765 nan 8.150 nan 0.000 0.490 443 L N 1.594 122.819 121.223 0.003 0.000 2.354 443 L HA 0.401 4.741 4.340 0.000 0.000 0.264 443 L C -0.762 176.071 176.870 -0.063 0.000 1.008 443 L CA -0.980 53.840 54.840 -0.034 0.000 0.819 443 L CB 2.106 44.118 42.059 -0.078 0.000 1.339 443 L HN 0.608 nan 8.230 nan 0.000 0.420 444 D N 1.449 121.808 120.400 -0.067 0.000 2.225 444 D HA 0.441 5.081 4.640 0.000 0.000 0.248 444 D C -0.634 175.588 176.300 -0.130 0.000 1.096 444 D CA 0.000 53.964 54.000 -0.059 0.000 0.863 444 D CB 1.805 42.584 40.800 -0.036 0.000 1.156 444 D HN 0.576 nan 8.370 nan 0.000 0.450 445 C N 0.705 119.932 119.300 -0.122 0.000 3.173 445 C HA 0.591 5.051 4.460 0.000 0.000 0.310 445 C C -0.792 174.147 174.990 -0.086 0.000 1.306 445 C CA -0.896 58.027 59.018 -0.159 0.000 1.426 445 C CB 1.698 29.288 27.740 -0.250 0.000 1.800 445 C HN 0.503 nan 8.230 nan 0.000 0.470 446 Q N 1.008 120.767 119.800 -0.069 0.000 2.282 446 Q HA 0.718 5.058 4.340 0.000 0.000 0.260 446 Q C -1.133 174.858 176.000 -0.016 0.000 0.964 446 Q CA -0.387 55.407 55.803 -0.015 0.000 0.880 446 Q CB 2.276 31.013 28.738 -0.001 0.000 1.286 446 Q HN 0.766 nan 8.270 nan 0.000 0.445 447 I N 2.971 123.550 120.570 0.015 0.000 2.439 447 I HA 0.173 4.343 4.170 0.000 0.000 0.283 447 I C -1.067 175.099 176.117 0.081 0.000 1.023 447 I CA -0.786 60.450 61.300 -0.106 0.000 1.100 447 I CB 1.010 38.698 38.000 -0.520 0.000 1.238 447 I HN 0.657 nan 8.210 nan 0.000 0.445 448 Y N 5.130 125.491 120.300 0.101 0.000 3.389 448 Y HA -0.251 4.299 4.550 0.000 0.000 0.213 448 Y C 1.463 177.360 175.900 -0.005 0.000 1.272 448 Y CA 1.039 59.184 58.100 0.075 0.000 1.444 448 Y CB -1.985 36.523 38.460 0.081 0.000 1.445 448 Y HN 0.986 nan 8.280 nan 0.000 0.583 449 G N -1.958 106.950 108.800 0.179 0.000 2.347 449 G HA2 -0.086 3.874 3.960 0.000 0.000 0.247 449 G HA3 -0.086 3.874 3.960 0.000 0.000 0.247 449 G C 0.566 175.521 174.900 0.091 0.000 1.037 449 G CA 0.327 45.493 45.100 0.111 0.000 0.622 449 G HN 1.632 nan 8.290 nan 0.000 0.521 450 A N -0.246 122.638 122.820 0.107 0.000 2.354 450 A HA 0.581 4.901 4.320 0.000 0.000 0.269 450 A C 0.793 178.242 177.584 -0.225 0.000 1.109 450 A CA 0.577 52.565 52.037 -0.081 0.000 0.800 450 A CB 0.670 19.578 19.000 -0.154 0.000 1.045 450 A HN 1.575 nan 8.150 nan 0.000 0.489 451 C N 2.871 122.000 119.300 -0.284 0.000 2.435 451 C HA 0.713 5.173 4.460 0.000 0.000 0.375 451 C C -0.928 173.746 174.990 -0.527 0.000 1.281 451 C CA -0.381 58.508 59.018 -0.215 0.000 1.963 451 C CB -1.395 26.360 27.740 0.024 0.000 2.490 451 C HN 0.648 nan 8.230 nan 0.000 0.557 452 Y N 2.914 123.062 120.300 -0.254 0.000 2.462 452 Y HA 0.426 4.976 4.550 0.000 0.000 0.346 452 Y C 0.397 176.168 175.900 -0.215 0.000 0.976 452 Y CA -0.303 57.584 58.100 -0.355 0.000 1.044 452 Y CB 1.873 40.010 38.460 -0.538 0.000 1.230 452 Y HN 0.600 nan 8.280 nan 0.000 0.455 453 S N 4.584 120.271 115.700 -0.022 0.000 2.410 453 S HA 0.626 5.096 4.470 0.000 0.000 0.304 453 S C -0.946 173.686 174.600 0.054 0.000 1.095 453 S CA -0.491 57.734 58.200 0.042 0.000 1.089 453 S CB -0.466 62.788 63.200 0.089 0.000 0.968 453 S HN 0.438 nan 8.310 nan 0.000 0.480 454 I N 3.742 124.327 120.570 0.025 0.000 2.646 454 I HA 0.440 4.610 4.170 0.000 0.000 0.299 454 I C 0.280 176.418 176.117 0.036 0.000 1.036 454 I CA -0.743 60.583 61.300 0.043 0.000 1.074 454 I CB 1.892 39.899 38.000 0.012 0.000 1.258 454 I HN 0.643 nan 8.210 nan 0.000 0.430 455 E N 6.196 126.435 120.200 0.064 0.000 2.115 455 E HA 0.255 4.605 4.350 0.000 0.000 0.282 455 E C -1.667 174.986 176.600 0.087 0.000 0.987 455 E CA -1.628 54.814 56.400 0.069 0.000 0.797 455 E CB 1.771 31.515 29.700 0.075 0.000 1.086 455 E HN 0.277 nan 8.360 nan 0.000 0.397 456 P HA -0.208 nan 4.420 nan 0.000 0.217 456 P C 0.913 178.359 177.300 0.242 0.000 1.151 456 P CA 1.152 64.320 63.100 0.113 0.000 0.849 456 P CB 0.222 31.932 31.700 0.016 0.000 0.787 457 L N -1.032 120.315 121.223 0.207 0.000 2.549 457 L HA -0.101 4.239 4.340 0.000 0.000 0.229 457 L C 1.322 178.290 176.870 0.164 0.000 1.158 457 L CA 1.057 56.033 54.840 0.227 0.000 0.842 457 L CB -0.549 41.608 42.059 0.164 0.000 0.952 457 L HN 0.001 nan 8.230 nan 0.000 0.452 458 D N -0.533 119.950 120.400 0.138 0.000 2.350 458 D HA 0.023 4.663 4.640 0.000 0.000 0.213 458 D C 2.252 178.615 176.300 0.105 0.000 1.031 458 D CA 0.215 54.269 54.000 0.090 0.000 0.861 458 D CB 0.442 41.282 40.800 0.067 0.000 0.926 458 D HN 0.298 nan 8.370 nan 0.000 0.520 459 L N 1.115 122.445 121.223 0.179 0.000 2.051 459 L HA -0.182 4.158 4.340 0.000 0.000 0.214 459 L C -0.460 176.518 176.870 0.180 0.000 1.076 459 L CA 1.699 56.663 54.840 0.207 0.000 0.758 459 L CB -1.484 40.773 42.059 0.331 0.000 0.890 459 L HN 0.039 nan 8.230 nan 0.000 0.433 460 P HA -0.198 nan 4.420 nan 0.000 0.215 460 P C 1.432 178.787 177.300 0.092 0.000 1.153 460 P CA 1.357 64.493 63.100 0.060 0.000 0.853 460 P CB 0.012 31.594 31.700 -0.197 0.000 0.788 461 Q N -0.775 119.022 119.800 -0.005 0.000 2.046 461 Q HA -0.111 4.229 4.340 0.000 0.000 0.200 461 Q C 2.251 178.240 176.000 -0.019 0.000 0.975 461 Q CA 1.233 57.016 55.803 -0.034 0.000 0.836 461 Q CB -0.743 27.960 28.738 -0.059 0.000 0.896 461 Q HN 0.265 nan 8.270 nan 0.000 0.428 462 I N 0.712 121.275 120.570 -0.012 0.000 2.208 462 I HA -0.301 3.869 4.170 0.000 0.000 0.245 462 I C 2.231 178.348 176.117 0.000 0.000 1.097 462 I CA 1.280 62.545 61.300 -0.058 0.000 1.363 462 I CB -0.265 37.738 38.000 0.006 0.000 1.051 462 I HN 0.213 nan 8.210 nan 0.000 0.413 463 I N 0.248 120.882 120.570 0.106 0.000 2.353 463 I HA -0.252 3.918 4.170 0.000 0.000 0.248 463 I C 2.611 178.722 176.117 -0.011 0.000 1.119 463 I CA 1.177 62.547 61.300 0.115 0.000 1.417 463 I CB -0.365 37.727 38.000 0.152 0.000 1.078 463 I HN 0.286 nan 8.210 nan 0.000 0.421 464 E N 1.092 121.319 120.200 0.045 0.000 2.077 464 E HA -0.234 4.116 4.350 0.000 0.000 0.193 464 E C 2.374 178.945 176.600 -0.049 0.000 0.989 464 E CA 1.012 57.416 56.400 0.006 0.000 0.800 464 E CB 0.164 29.931 29.700 0.111 0.000 0.746 464 E HN 0.269 nan 8.360 nan 0.000 0.452 465 R N 0.214 120.673 120.500 -0.069 0.000 2.066 465 R HA -0.072 4.268 4.340 0.000 0.000 0.232 465 R C 2.525 178.739 176.300 -0.143 0.000 1.131 465 R CA 0.944 56.978 56.100 -0.110 0.000 0.955 465 R CB -0.674 29.532 30.300 -0.157 0.000 0.851 465 R HN 0.329 nan 8.270 nan 0.000 0.432 466 L N -0.680 120.430 121.223 -0.188 0.000 2.131 466 L HA -0.085 4.255 4.340 0.000 0.000 0.206 466 L C 2.032 178.609 176.870 -0.489 0.000 1.087 466 L CA 1.076 55.710 54.840 -0.344 0.000 0.767 466 L CB -0.363 41.445 42.059 -0.418 0.000 0.917 466 L HN 0.258 nan 8.230 nan 0.000 0.441 467 H N -0.839 118.147 119.070 -0.140 0.000 2.885 467 H HA 0.311 4.867 4.556 0.000 0.000 0.260 467 H C 0.982 176.208 175.328 -0.170 0.000 0.985 467 H CA 0.785 56.735 56.048 -0.162 0.000 1.210 467 H CB 1.012 30.650 29.762 -0.206 0.000 1.466 467 H HN 0.297 nan 8.280 nan 0.000 0.493 468 G N 0.813 109.568 108.800 -0.075 0.000 2.707 468 G HA2 -0.218 3.742 3.960 0.000 0.000 0.686 468 G HA3 -0.218 3.742 3.960 0.000 0.000 0.686 468 G C 0.592 175.403 174.900 -0.148 0.000 1.315 468 G CA -0.185 44.869 45.100 -0.077 0.000 0.832 468 G HN 0.212 nan 8.290 nan 0.000 0.573 469 L N 0.973 122.173 121.223 -0.039 0.000 2.275 469 L HA -0.075 4.265 4.340 0.000 0.000 0.215 469 L C 3.178 180.038 176.870 -0.015 0.000 1.119 469 L CA 2.071 56.943 54.840 0.054 0.000 0.790 469 L CB -0.458 41.711 42.059 0.184 0.000 0.919 469 L HN 0.898 nan 8.230 nan 0.000 0.443 470 S N -0.020 115.644 115.700 -0.061 0.000 2.419 470 S HA -0.171 4.299 4.470 0.000 0.000 0.233 470 S C 2.084 176.595 174.600 -0.148 0.000 1.016 470 S CA 0.807 58.968 58.200 -0.066 0.000 0.974 470 S CB -0.387 62.770 63.200 -0.072 0.000 0.786 470 S HN 0.371 nan 8.310 nan 0.000 0.492 471 A N 0.501 123.137 122.820 -0.306 0.000 2.125 471 A HA 0.174 4.494 4.320 0.000 0.000 0.219 471 A C 1.377 178.768 177.584 -0.323 0.000 1.156 471 A CA 0.855 52.641 52.037 -0.417 0.000 0.671 471 A CB -0.783 17.868 19.000 -0.582 0.000 0.794 471 A HN 0.583 nan 8.150 nan 0.000 0.459 472 F N -0.429 119.539 119.950 0.029 0.000 2.727 472 F HA 0.162 4.689 4.527 -0.000 0.000 0.302 472 F C 1.727 177.579 175.800 0.086 0.000 1.097 472 F CA 0.296 58.342 58.000 0.075 0.000 1.330 472 F CB 0.127 39.205 39.000 0.129 0.000 1.084 472 F HN 0.257 nan 8.300 nan 0.000 0.578 473 S N -1.296 114.511 115.700 0.178 0.000 2.993 473 S HA 0.298 4.768 4.470 0.000 0.000 0.257 473 S C -0.092 174.578 174.600 0.117 0.000 0.997 473 S CA -0.378 57.923 58.200 0.169 0.000 1.191 473 S CB -0.669 62.623 63.200 0.153 0.000 1.143 473 S HN 0.033 nan 8.310 nan 0.000 0.655 474 L N 3.392 124.597 121.223 -0.031 0.000 2.453 474 L HA 0.456 4.796 4.340 0.000 0.000 0.272 474 L C 0.537 177.297 176.870 -0.184 0.000 1.182 474 L CA 0.097 54.784 54.840 -0.255 0.000 0.858 474 L CB 0.020 41.787 42.059 -0.486 0.000 1.120 474 L HN 0.682 nan 8.230 nan 0.000 0.474 475 H N -1.296 117.589 119.070 -0.308 0.000 2.960 475 H HA 0.393 4.949 4.556 0.000 0.000 0.323 475 H C -0.317 174.911 175.328 -0.166 0.000 1.326 475 H CA -0.946 55.012 56.048 -0.150 0.000 1.124 475 H CB 1.140 30.910 29.762 0.014 0.000 1.853 475 H HN 0.381 nan 8.280 nan 0.000 0.536 476 S N -0.479 115.313 115.700 0.152 0.000 3.697 476 S HA -0.217 4.253 4.470 0.000 0.000 0.388 476 S C -0.743 173.884 174.600 0.044 0.000 0.941 476 S CA 0.342 58.630 58.200 0.147 0.000 1.247 476 S CB -2.365 60.937 63.200 0.170 0.000 0.904 476 S HN 0.536 nan 8.310 nan 0.000 0.518 477 Y N 1.989 122.322 120.300 0.055 0.000 2.379 477 Y HA 0.295 4.845 4.550 -0.000 0.000 0.337 477 Y C 1.392 177.331 175.900 0.065 0.000 1.238 477 Y CA 0.382 58.510 58.100 0.046 0.000 1.405 477 Y CB 0.430 38.912 38.460 0.037 0.000 1.310 477 Y HN 0.527 nan 8.280 nan 0.000 0.569 478 S N 3.745 119.576 115.700 0.218 0.000 2.558 478 S HA 0.009 4.479 4.470 0.000 0.000 0.288 478 S C -1.625 173.053 174.600 0.131 0.000 1.318 478 S CA -1.026 57.254 58.200 0.133 0.000 1.056 478 S CB 0.893 64.147 63.200 0.091 0.000 0.853 478 S HN 0.567 nan 8.310 nan 0.000 0.505 479 P HA -0.055 nan 4.420 nan 0.000 0.216 479 P C 1.657 178.995 177.300 0.063 0.000 1.150 479 P CA 1.792 64.939 63.100 0.077 0.000 0.837 479 P CB -0.606 31.130 31.700 0.060 0.000 0.786 480 G N 0.421 109.254 108.800 0.055 0.000 2.418 480 G HA2 -0.281 3.679 3.960 0.000 0.000 0.217 480 G HA3 -0.281 3.679 3.960 0.000 0.000 0.217 480 G C 1.705 176.631 174.900 0.044 0.000 1.158 480 G CA 0.995 46.118 45.100 0.038 0.000 0.771 480 G HN 0.280 nan 8.290 nan 0.000 0.545 481 E N 0.768 121.013 120.200 0.075 0.000 2.031 481 E HA -0.072 4.278 4.350 0.000 0.000 0.193 481 E C 2.479 179.115 176.600 0.061 0.000 0.994 481 E CA 0.882 57.337 56.400 0.092 0.000 0.800 481 E CB -0.440 29.375 29.700 0.191 0.000 0.752 481 E HN 0.499 nan 8.360 nan 0.000 0.447 482 I N 0.946 121.556 120.570 0.068 0.000 2.151 482 I HA -0.340 3.830 4.170 0.000 0.000 0.243 482 I C 2.032 178.162 176.117 0.023 0.000 1.080 482 I CA 1.344 62.665 61.300 0.034 0.000 1.339 482 I CB -0.551 37.486 38.000 0.061 0.000 1.039 482 I HN 0.176 nan 8.210 nan 0.000 0.409 483 N N 0.783 119.501 118.700 0.029 0.000 2.069 483 N HA -0.224 4.517 4.740 0.000 0.000 0.191 483 N C 1.907 177.419 175.510 0.002 0.000 1.031 483 N CA 1.309 54.370 53.050 0.019 0.000 0.852 483 N CB -0.523 37.977 38.487 0.021 0.000 1.018 483 N HN 0.364 nan 8.380 nan 0.000 0.423 484 R N 1.040 121.537 120.500 -0.005 0.000 2.083 484 R HA -0.080 4.261 4.340 0.000 0.000 0.237 484 R C 1.956 178.223 176.300 -0.054 0.000 1.137 484 R CA 1.201 57.282 56.100 -0.032 0.000 0.951 484 R CB -0.202 30.073 30.300 -0.042 0.000 0.851 484 R HN -0.018 nan 8.270 nan 0.000 0.434 485 V N 0.998 120.885 119.914 -0.045 0.000 2.261 485 V HA -0.223 3.897 4.120 0.000 0.000 0.246 485 V C 2.522 178.597 176.094 -0.032 0.000 1.047 485 V CA 1.937 64.203 62.300 -0.058 0.000 1.015 485 V CB -0.911 30.898 31.823 -0.023 0.000 0.642 485 V HN 0.586 nan 8.190 nan 0.000 0.446 486 A N -0.062 122.754 122.820 -0.007 0.000 1.873 486 A HA -0.263 4.057 4.320 0.000 0.000 0.218 486 A C 2.483 180.072 177.584 0.008 0.000 1.193 486 A CA 2.576 54.621 52.037 0.014 0.000 0.629 486 A CB -1.001 18.014 19.000 0.024 0.000 0.826 486 A HN 0.513 nan 8.150 nan 0.000 0.447 487 S N -1.341 114.359 115.700 0.000 0.000 2.387 487 S HA -0.240 4.230 4.470 0.000 0.000 0.230 487 S C 2.020 176.615 174.600 -0.009 0.000 1.035 487 S CA 1.375 59.575 58.200 0.000 0.000 1.014 487 S CB -0.949 62.248 63.200 -0.004 0.000 0.836 487 S HN 0.803 nan 8.310 nan 0.000 0.466 488 C N 1.623 120.903 119.300 -0.033 0.000 2.466 488 C HA 0.103 4.563 4.460 0.000 0.000 0.278 488 C C 2.390 177.357 174.990 -0.039 0.000 1.288 488 C CA 0.260 59.247 59.018 -0.051 0.000 1.722 488 C CB -1.562 26.113 27.740 -0.108 0.000 2.017 488 C HN 0.568 nan 8.230 nan 0.000 0.488 489 L N 0.489 121.698 121.223 -0.024 0.000 2.017 489 L HA -0.110 4.230 4.340 0.000 0.000 0.208 489 L C 3.051 179.911 176.870 -0.018 0.000 1.073 489 L CA 1.717 56.555 54.840 -0.003 0.000 0.745 489 L CB -0.836 41.253 42.059 0.051 0.000 0.894 489 L HN 0.309 nan 8.230 nan 0.000 0.432 490 R N 0.167 120.669 120.500 0.003 0.000 2.127 490 R HA -0.200 4.140 4.340 0.000 0.000 0.238 490 R C 2.325 178.640 176.300 0.024 0.000 1.134 490 R CA 1.332 57.440 56.100 0.013 0.000 0.975 490 R CB -0.233 30.089 30.300 0.036 0.000 0.865 490 R HN 0.332 nan 8.270 nan 0.000 0.447 491 K N 0.618 121.034 120.400 0.026 0.000 2.025 491 K HA -0.121 4.199 4.320 0.000 0.000 0.207 491 K C 1.353 178.007 176.600 0.089 0.000 1.049 491 K CA 1.120 57.453 56.287 0.077 0.000 0.933 491 K CB 0.125 32.652 32.500 0.046 0.000 0.714 491 K HN 0.004 nan 8.250 nan 0.000 0.438 492 L N 0.281 121.475 121.223 -0.047 0.000 2.591 492 L HA 0.213 4.553 4.340 0.000 0.000 0.228 492 L C 0.861 177.448 176.870 -0.472 0.000 1.133 492 L CA 1.086 55.858 54.840 -0.115 0.000 0.880 492 L CB 0.203 42.224 42.059 -0.064 0.000 1.033 492 L HN 0.493 nan 8.230 nan 0.000 0.450 493 G N -0.130 108.260 108.800 -0.684 0.000 2.225 493 G HA2 -0.212 3.748 3.960 0.000 0.000 0.264 493 G HA3 -0.212 3.748 3.960 0.000 0.000 0.264 493 G C 0.008 174.757 174.900 -0.252 0.000 1.060 493 G CA 0.186 44.852 45.100 -0.724 0.000 0.833 493 G HN 0.112 nan 8.290 nan 0.000 0.498 494 V N 0.650 120.495 119.914 -0.116 0.000 2.472 494 V HA 0.464 4.584 4.120 0.000 0.000 0.290 494 V C -1.345 174.813 176.094 0.106 0.000 1.037 494 V CA -1.770 60.555 62.300 0.043 0.000 0.908 494 V CB 1.740 33.621 31.823 0.097 0.000 0.985 494 V HN 0.160 nan 8.190 nan 0.000 0.454 495 P HA 0.088 nan 4.420 nan 0.000 0.266 495 P C -2.452 174.945 177.300 0.162 0.000 1.193 495 P CA -0.593 62.517 63.100 0.017 0.000 0.770 495 P CB -0.157 31.388 31.700 -0.259 0.000 0.836 496 P HA 0.036 nan 4.420 nan 0.000 0.270 496 P C 0.915 178.372 177.300 0.262 0.000 1.223 496 P CA 0.040 63.235 63.100 0.157 0.000 0.785 496 P CB 0.732 32.485 31.700 0.089 0.000 0.923 497 L N 1.200 122.596 121.223 0.287 0.000 2.137 497 L HA -0.246 4.094 4.340 0.000 0.000 0.213 497 L C 2.865 179.894 176.870 0.264 0.000 1.085 497 L CA 1.877 56.916 54.840 0.331 0.000 0.760 497 L CB -0.875 41.280 42.059 0.159 0.000 0.893 497 L HN 0.501 nan 8.230 nan 0.000 0.434 498 R N -0.288 120.307 120.500 0.158 0.000 2.096 498 R HA -0.116 4.224 4.340 0.000 0.000 0.235 498 R C 1.971 178.322 176.300 0.084 0.000 1.127 498 R CA 1.543 57.700 56.100 0.095 0.000 0.968 498 R CB -0.998 29.357 30.300 0.091 0.000 0.861 498 R HN 0.177 nan 8.270 nan 0.000 0.440 499 V N 0.492 120.450 119.914 0.074 0.000 2.358 499 V HA -0.167 3.953 4.120 0.000 0.000 0.246 499 V C 1.940 177.996 176.094 -0.063 0.000 1.047 499 V CA 1.702 63.992 62.300 -0.017 0.000 1.035 499 V CB -0.670 31.014 31.823 -0.231 0.000 0.658 499 V HN 0.375 nan 8.190 nan 0.000 0.452 500 W N 0.255 121.637 121.300 0.137 0.000 2.374 500 W HA -0.133 4.527 4.660 0.000 0.000 0.288 500 W C 2.703 179.379 176.519 0.262 0.000 1.218 500 W CA 1.513 58.974 57.345 0.193 0.000 1.245 500 W CB -0.257 29.320 29.460 0.195 0.000 1.126 500 W HN 0.082 nan 8.180 nan 0.000 0.545 501 R N -0.359 120.374 120.500 0.389 0.000 2.081 501 R HA -0.183 4.157 4.340 0.000 0.000 0.235 501 R C 2.095 178.385 176.300 -0.015 0.000 1.131 501 R CA 1.781 58.026 56.100 0.241 0.000 0.960 501 R CB -0.595 29.748 30.300 0.071 0.000 0.856 501 R HN 0.229 nan 8.270 nan 0.000 0.436 502 H N 0.172 119.289 119.070 0.079 0.000 2.326 502 H HA -0.024 4.532 4.556 0.000 0.000 0.301 502 H C 2.198 177.506 175.328 -0.033 0.000 1.081 502 H CA 1.534 57.579 56.048 -0.006 0.000 1.334 502 H CB -0.103 29.643 29.762 -0.028 0.000 1.385 502 H HN 0.247 nan 8.280 nan 0.000 0.504 503 R N 0.464 121.029 120.500 0.108 0.000 2.105 503 R HA -0.064 4.276 4.340 0.000 0.000 0.239 503 R C 2.501 178.803 176.300 0.003 0.000 1.135 503 R CA 1.036 57.162 56.100 0.043 0.000 0.967 503 R CB -0.200 30.125 30.300 0.041 0.000 0.861 503 R HN 0.219 nan 8.270 nan 0.000 0.442 504 A N 1.203 124.047 122.820 0.041 0.000 1.933 504 A HA -0.157 4.163 4.320 0.000 0.000 0.218 504 A C 2.055 179.420 177.584 -0.364 0.000 1.175 504 A CA 1.133 53.060 52.037 -0.183 0.000 0.628 504 A CB -0.312 18.628 19.000 -0.098 0.000 0.814 504 A HN 0.217 nan 8.150 nan 0.000 0.444 505 R N -0.707 119.657 120.500 -0.226 0.000 2.096 505 R HA -0.091 4.249 4.340 0.000 0.000 0.235 505 R C 2.584 178.777 176.300 -0.177 0.000 1.127 505 R CA 1.437 57.416 56.100 -0.202 0.000 0.968 505 R CB -0.315 29.923 30.300 -0.103 0.000 0.861 505 R HN 0.560 nan 8.270 nan 0.000 0.440 506 S N 0.087 115.703 115.700 -0.141 0.000 2.377 506 S HA -0.056 4.414 4.470 0.000 0.000 0.223 506 S C 2.005 176.506 174.600 -0.165 0.000 1.030 506 S CA 0.805 58.933 58.200 -0.119 0.000 0.970 506 S CB -0.000 63.153 63.200 -0.078 0.000 0.830 506 S HN 0.091 nan 8.310 nan 0.000 0.473 507 V N 2.551 122.319 119.914 -0.243 0.000 2.295 507 V HA -0.131 3.989 4.120 0.000 0.000 0.246 507 V C 2.716 178.583 176.094 -0.379 0.000 1.049 507 V CA 2.218 64.335 62.300 -0.305 0.000 1.024 507 V CB -0.810 30.745 31.823 -0.447 0.000 0.648 507 V HN 0.511 nan 8.190 nan 0.000 0.447 508 R N 0.278 120.465 120.500 -0.523 0.000 2.083 508 R HA -0.210 4.130 4.340 0.000 0.000 0.237 508 R C 2.287 178.481 176.300 -0.177 0.000 1.137 508 R CA 1.919 57.801 56.100 -0.362 0.000 0.951 508 R CB -0.499 29.612 30.300 -0.315 0.000 0.851 508 R HN 0.480 nan 8.270 nan 0.000 0.434 509 A N 0.971 123.698 122.820 -0.155 0.000 1.877 509 A HA -0.179 4.141 4.320 0.000 0.000 0.216 509 A C 2.216 179.759 177.584 -0.068 0.000 1.186 509 A CA 1.670 53.650 52.037 -0.095 0.000 0.620 509 A CB -0.482 18.468 19.000 -0.084 0.000 0.822 509 A HN 0.367 nan 8.150 nan 0.000 0.443 510 R N -0.484 119.974 120.500 -0.071 0.000 2.105 510 R HA -0.055 4.285 4.340 0.000 0.000 0.239 510 R C 2.037 178.330 176.300 -0.012 0.000 1.135 510 R CA 1.482 57.560 56.100 -0.037 0.000 0.967 510 R CB -0.534 29.746 30.300 -0.033 0.000 0.861 510 R HN 0.551 nan 8.270 nan 0.000 0.442 511 L N 0.057 121.269 121.223 -0.019 0.000 2.056 511 L HA -0.167 4.173 4.340 0.000 0.000 0.207 511 L C 2.165 179.045 176.870 0.016 0.000 1.078 511 L CA 1.125 55.978 54.840 0.023 0.000 0.749 511 L CB -0.378 41.697 42.059 0.025 0.000 0.901 511 L HN 0.211 nan 8.230 nan 0.000 0.433 512 L N -0.429 120.788 121.223 -0.010 0.000 2.083 512 L HA -0.186 4.154 4.340 0.000 0.000 0.209 512 L C 2.787 179.656 176.870 -0.002 0.000 1.083 512 L CA 1.480 56.316 54.840 -0.008 0.000 0.752 512 L CB -0.670 41.372 42.059 -0.028 0.000 0.899 512 L HN 0.405 nan 8.230 nan 0.000 0.433 513 S N -0.987 114.710 115.700 -0.005 0.000 2.507 513 S HA -0.188 4.282 4.470 0.000 0.000 0.235 513 S C 1.686 176.291 174.600 0.009 0.000 0.988 513 S CA 0.744 58.944 58.200 -0.002 0.000 0.944 513 S CB -0.195 63.002 63.200 -0.006 0.000 0.762 513 S HN 0.529 nan 8.310 nan 0.000 0.526 514 Q N 0.789 120.601 119.800 0.020 0.000 2.392 514 Q HA 0.320 4.660 4.340 0.000 0.000 0.203 514 Q C 1.275 177.293 176.000 0.030 0.000 0.917 514 Q CA 0.100 55.920 55.803 0.029 0.000 0.939 514 Q CB 0.129 28.894 28.738 0.044 0.000 1.063 514 Q HN 0.723 nan 8.270 nan 0.000 0.516 515 G N 0.555 109.371 108.800 0.026 0.000 2.726 515 G HA2 -0.173 3.787 3.960 0.000 0.000 0.261 515 G HA3 -0.173 3.787 3.960 0.000 0.000 0.261 515 G C 0.483 175.405 174.900 0.036 0.000 1.352 515 G CA -0.158 44.958 45.100 0.027 0.000 0.906 515 G HN 0.724 nan 8.290 nan 0.000 0.566 516 G N -1.175 107.645 108.800 0.034 0.000 2.564 516 G HA2 -0.221 3.739 3.960 0.000 0.000 0.273 516 G HA3 -0.221 3.739 3.960 0.000 0.000 0.273 516 G C 1.108 176.035 174.900 0.044 0.000 1.242 516 G CA 1.234 46.357 45.100 0.037 0.000 0.951 516 G HN 1.420 nan 8.290 nan 0.000 0.564 517 R N 0.281 120.810 120.500 0.050 0.000 2.120 517 R HA 0.069 4.409 4.340 0.000 0.000 0.234 517 R C 3.188 179.537 176.300 0.082 0.000 1.123 517 R CA 1.843 57.977 56.100 0.057 0.000 0.975 517 R CB -0.554 29.785 30.300 0.064 0.000 0.866 517 R HN 0.703 nan 8.270 nan 0.000 0.446 518 A N 1.424 124.301 122.820 0.095 0.000 1.902 518 A HA -0.119 4.201 4.320 0.000 0.000 0.217 518 A C 2.378 180.012 177.584 0.083 0.000 1.181 518 A CA 1.701 53.809 52.037 0.119 0.000 0.623 518 A CB -0.537 18.531 19.000 0.113 0.000 0.818 518 A HN 0.382 nan 8.150 nan 0.000 0.443 519 A N -1.119 121.737 122.820 0.061 0.000 1.969 519 A HA -0.042 4.278 4.320 0.000 0.000 0.218 519 A C 2.251 179.869 177.584 0.057 0.000 1.169 519 A CA 2.137 54.200 52.037 0.045 0.000 0.635 519 A CB -1.102 17.918 19.000 0.034 0.000 0.810 519 A HN 0.431 nan 8.150 nan 0.000 0.445 520 T N -0.885 113.712 114.554 0.071 0.000 2.821 520 T HA -0.163 4.187 4.350 0.000 0.000 0.267 520 T C 1.884 176.639 174.700 0.091 0.000 1.046 520 T CA 1.473 63.640 62.100 0.112 0.000 1.139 520 T CB -0.626 68.257 68.868 0.025 0.000 0.871 520 T HN 0.575 nan 8.240 nan 0.000 0.454 521 C N 1.396 120.713 119.300 0.028 0.000 2.432 521 C HA 0.033 4.493 4.460 0.000 0.000 0.277 521 C C 3.112 178.082 174.990 -0.035 0.000 1.249 521 C CA 0.584 59.566 59.018 -0.060 0.000 1.725 521 C CB -1.486 26.210 27.740 -0.074 0.000 2.028 521 C HN 0.723 nan 8.230 nan 0.000 0.477 522 G N 0.000 108.826 108.800 0.042 0.000 2.418 522 G HA2 -0.257 3.703 3.960 0.000 0.000 0.217 522 G HA3 -0.257 3.703 3.960 0.000 0.000 0.217 522 G C 1.652 176.580 174.900 0.046 0.000 1.158 522 G CA 1.076 46.237 45.100 0.101 0.000 0.771 522 G HN 0.631 nan 8.290 nan 0.000 0.545 523 K N -0.838 119.554 120.400 -0.012 0.000 2.025 523 K HA -0.081 4.239 4.320 0.000 0.000 0.207 523 K C 2.209 178.647 176.600 -0.270 0.000 1.049 523 K CA 1.177 57.385 56.287 -0.131 0.000 0.933 523 K CB -0.243 32.170 32.500 -0.146 0.000 0.714 523 K HN 0.409 nan 8.250 nan 0.000 0.438 524 Y N 0.747 120.857 120.300 -0.317 0.000 2.230 524 Y HA 0.015 4.565 4.550 0.000 0.000 0.294 524 Y C 2.082 177.629 175.900 -0.589 0.000 1.120 524 Y CA 0.692 58.418 58.100 -0.623 0.000 1.129 524 Y CB -0.221 37.587 38.460 -1.086 0.000 1.040 524 Y HN -0.077 nan 8.280 nan 0.000 0.519 525 L N -1.522 119.498 121.223 -0.338 0.000 2.131 525 L HA -0.182 4.158 4.340 0.000 0.000 0.210 525 L C 0.715 177.296 176.870 -0.483 0.000 1.092 525 L CA 1.456 56.056 54.840 -0.400 0.000 0.759 525 L CB -0.408 41.221 42.059 -0.717 0.000 0.903 525 L HN 0.190 nan 8.230 nan 0.000 0.435 526 F N -1.618 118.272 119.950 -0.100 0.000 2.735 526 F HA 0.174 4.701 4.527 0.000 0.000 0.304 526 F C 1.529 177.006 175.800 -0.539 0.000 1.119 526 F CA -0.418 57.328 58.000 -0.424 0.000 1.280 526 F CB -0.514 38.238 39.000 -0.413 0.000 0.994 526 F HN -0.077 nan 8.300 nan 0.000 0.520 527 N N 1.003 119.620 118.700 -0.138 0.000 2.364 527 N HA -0.185 4.555 4.740 0.000 0.000 0.183 527 N C 1.991 177.466 175.510 -0.057 0.000 1.022 527 N CA 1.535 54.520 53.050 -0.108 0.000 0.883 527 N CB -0.150 38.296 38.487 -0.068 0.000 0.965 527 N HN 0.521 nan 8.380 nan 0.000 0.438 528 W N -0.538 120.804 121.300 0.069 0.000 2.425 528 W HA 0.137 4.796 4.660 -0.000 0.000 0.277 528 W C 1.441 178.008 176.519 0.079 0.000 1.231 528 W CA 0.678 58.070 57.345 0.078 0.000 1.248 528 W CB -0.855 28.663 29.460 0.096 0.000 1.117 528 W HN 0.051 nan 8.180 nan 0.000 0.568 529 A N 1.956 124.319 122.820 -0.762 0.000 1.970 529 A HA 0.074 4.394 4.320 0.000 0.000 0.216 529 A C 1.482 178.904 177.584 -0.270 0.000 1.170 529 A CA 1.416 53.031 52.037 -0.704 0.000 0.645 529 A CB -1.156 17.177 19.000 -1.111 0.000 0.816 529 A HN 0.129 nan 8.150 nan 0.000 0.447 530 V N -2.454 117.329 119.914 -0.217 0.000 3.319 530 V HA 0.226 4.346 4.120 0.000 0.000 0.303 530 V C 0.920 176.975 176.094 -0.064 0.000 1.094 530 V CA -0.016 62.209 62.300 -0.124 0.000 1.106 530 V CB 0.641 32.396 31.823 -0.115 0.000 1.099 530 V HN 0.422 nan 8.190 nan 0.000 0.476 531 K N 0.713 121.084 120.400 -0.048 0.000 2.067 531 K HA 0.074 4.394 4.320 0.000 0.000 0.203 531 K C 0.814 177.395 176.600 -0.031 0.000 1.048 531 K CA 1.307 57.577 56.287 -0.028 0.000 0.954 531 K CB -0.168 32.319 32.500 -0.020 0.000 0.737 531 K HN 0.936 nan 8.250 nan 0.000 0.444 532 T N 0.898 115.429 114.554 -0.039 0.000 2.853 532 T HA 0.385 4.735 4.350 0.000 0.000 0.317 532 T C -0.408 174.263 174.700 -0.048 0.000 1.059 532 T CA -1.074 61.002 62.100 -0.039 0.000 0.954 532 T CB 1.053 69.900 68.868 -0.036 0.000 0.994 532 T HN -0.233 nan 8.240 nan 0.000 0.479 533 K N 2.594 122.967 120.400 -0.045 0.000 2.276 533 K HA 0.444 4.764 4.320 0.000 0.000 0.259 533 K C 0.220 176.783 176.600 -0.063 0.000 1.001 533 K CA -0.362 55.895 56.287 -0.051 0.000 0.927 533 K CB 0.315 32.796 32.500 -0.032 0.000 0.969 533 K HN 0.599 nan 8.250 nan 0.000 0.490 534 L N 1.150 122.320 121.223 -0.088 0.000 2.400 534 L HA 0.369 4.709 4.340 0.000 0.000 0.264 534 L C 0.385 177.193 176.870 -0.104 0.000 1.061 534 L CA -0.897 53.881 54.840 -0.103 0.000 0.799 534 L CB 1.042 43.014 42.059 -0.145 0.000 1.240 534 L HN 0.472 nan 8.230 nan 0.000 0.461 535 K N 1.871 122.214 120.400 -0.095 0.000 2.250 535 K HA 0.272 4.592 4.320 0.000 0.000 0.285 535 K C -1.259 175.273 176.600 -0.114 0.000 1.097 535 K CA -0.681 55.562 56.287 -0.072 0.000 0.913 535 K CB 0.345 32.821 32.500 -0.040 0.000 1.179 535 K HN 0.260 nan 8.250 nan 0.000 0.462 536 L N 4.810 125.961 121.223 -0.120 0.000 2.295 536 L HA 0.150 4.490 4.340 0.000 0.000 0.288 536 L C 0.555 177.465 176.870 0.065 0.000 1.079 536 L CA 0.202 54.941 54.840 -0.168 0.000 0.830 536 L CB 0.749 42.711 42.059 -0.161 0.000 1.200 536 L HN 0.638 nan 8.230 nan 0.000 0.438 537 T N 1.565 116.196 114.554 0.128 0.000 2.943 537 T HA 0.654 5.004 4.350 0.000 0.000 0.284 537 T C -2.539 172.311 174.700 0.250 0.000 1.015 537 T CA -2.393 59.804 62.100 0.162 0.000 1.042 537 T CB 1.267 70.197 68.868 0.103 0.000 1.055 537 T HN 0.195 nan 8.240 nan 0.000 0.500 538 P HA 0.134 nan 4.420 nan 0.000 0.262 538 P C -0.374 176.968 177.300 0.071 0.000 1.182 538 P CA 0.067 63.237 63.100 0.117 0.000 0.761 538 P CB 0.094 31.836 31.700 0.070 0.000 0.795 539 I N 6.406 126.968 120.570 -0.014 0.000 2.496 539 I HA 0.056 4.226 4.170 0.000 0.000 0.285 539 I C -1.177 174.911 176.117 -0.048 0.000 1.080 539 I CA -1.757 59.486 61.300 -0.095 0.000 1.404 539 I CB 0.947 38.789 38.000 -0.263 0.000 1.403 539 I HN 0.338 nan 8.210 nan 0.000 0.539 540 P HA -0.215 nan 4.420 nan 0.000 0.212 540 P C 1.399 178.680 177.300 -0.032 0.000 1.178 540 P CA 1.312 64.400 63.100 -0.020 0.000 0.915 540 P CB 0.163 31.857 31.700 -0.010 0.000 0.788 541 A N -0.594 122.202 122.820 -0.040 0.000 2.245 541 A HA -0.140 4.180 4.320 0.000 0.000 0.217 541 A C 2.137 179.687 177.584 -0.057 0.000 1.171 541 A CA 1.804 53.816 52.037 -0.043 0.000 0.688 541 A CB -1.522 17.455 19.000 -0.040 0.000 0.781 541 A HN 0.214 nan 8.150 nan 0.000 0.479 542 A N 0.629 123.412 122.820 -0.062 0.000 1.841 542 A HA -0.099 4.221 4.320 0.000 0.000 0.216 542 A C 2.068 179.609 177.584 -0.073 0.000 1.199 542 A CA 1.883 53.878 52.037 -0.069 0.000 0.621 542 A CB -1.152 17.815 19.000 -0.055 0.000 0.835 542 A HN 1.176 nan 8.150 nan 0.000 0.445 543 S N -0.688 114.979 115.700 -0.055 0.000 3.033 543 S HA 0.263 4.733 4.470 0.000 0.000 0.258 543 S C 0.448 175.017 174.600 -0.053 0.000 1.207 543 S CA 0.367 58.534 58.200 -0.055 0.000 1.248 543 S CB -0.228 62.950 63.200 -0.037 0.000 0.932 543 S HN 0.638 nan 8.310 nan 0.000 0.472 544 Q N -0.181 119.581 119.800 -0.063 0.000 2.081 544 Q HA 0.369 4.709 4.340 0.000 0.000 0.220 544 Q C -0.334 175.624 176.000 -0.070 0.000 0.775 544 Q CA -0.154 55.616 55.803 -0.054 0.000 0.983 544 Q CB 0.628 29.342 28.738 -0.041 0.000 1.188 544 Q HN 0.527 nan 8.270 nan 0.000 0.458 545 L N 1.700 122.860 121.223 -0.104 0.000 2.350 545 L HA 0.235 4.575 4.340 0.000 0.000 0.275 545 L C 0.044 176.813 176.870 -0.168 0.000 1.099 545 L CA -0.397 54.356 54.840 -0.144 0.000 0.808 545 L CB 0.654 42.586 42.059 -0.211 0.000 1.149 545 L HN -0.033 nan 8.230 nan 0.000 0.442 546 D N 3.278 123.587 120.400 -0.152 0.000 2.522 546 D HA 0.169 4.809 4.640 0.000 0.000 0.218 546 D C 0.158 176.309 176.300 -0.248 0.000 1.149 546 D CA -0.229 53.691 54.000 -0.134 0.000 0.981 546 D CB 0.613 41.384 40.800 -0.049 0.000 1.041 546 D HN 0.192 nan 8.370 nan 0.000 0.518 547 L N 2.175 123.167 121.223 -0.385 0.000 2.728 547 L HA 0.153 4.493 4.340 0.000 0.000 0.235 547 L C 0.641 177.329 176.870 -0.304 0.000 1.197 547 L CA -0.077 54.340 54.840 -0.706 0.000 0.992 547 L CB -0.624 40.938 42.059 -0.828 0.000 1.263 547 L HN 0.251 nan 8.230 nan 0.000 0.484 548 S N -0.877 114.753 115.700 -0.117 0.000 2.455 548 S HA 0.562 5.032 4.470 0.000 0.000 0.278 548 S C 1.188 175.830 174.600 0.070 0.000 1.216 548 S CA 0.103 58.298 58.200 -0.008 0.000 1.055 548 S CB 0.943 64.144 63.200 0.002 0.000 0.939 548 S HN 0.535 nan 8.310 nan 0.000 0.494 549 G N 2.759 111.619 108.800 0.100 0.000 2.201 549 G HA2 -0.209 3.751 3.960 0.000 0.000 0.212 549 G HA3 -0.209 3.751 3.960 0.000 0.000 0.212 549 G C 0.412 175.382 174.900 0.118 0.000 0.994 549 G CA -0.003 45.164 45.100 0.112 0.000 0.644 549 G HN 0.641 nan 8.290 nan 0.000 0.508 550 W N 0.324 121.459 121.300 -0.275 0.000 2.409 550 W HA 0.476 5.136 4.660 -0.000 0.000 0.299 550 W C 0.982 177.002 176.519 -0.831 0.000 1.203 550 W CA 1.131 58.076 57.345 -0.667 0.000 1.298 550 W CB -0.205 28.672 29.460 -0.971 0.000 1.127 550 W HN 0.178 nan 8.180 nan 0.000 0.528 551 F N -0.471 119.603 119.950 0.207 0.000 2.449 551 F HA 0.311 4.838 4.527 0.000 0.000 0.329 551 F C 0.487 176.393 175.800 0.177 0.000 1.245 551 F CA -0.535 57.587 58.000 0.203 0.000 1.193 551 F CB -0.020 39.064 39.000 0.140 0.000 1.425 551 F HN -0.396 nan 8.300 nan 0.000 0.544 552 V N -0.013 120.071 119.914 0.283 0.000 2.948 552 V HA 0.617 4.737 4.120 0.000 0.000 0.234 552 V C 0.842 177.067 176.094 0.218 0.000 1.205 552 V CA 0.581 63.003 62.300 0.203 0.000 1.234 552 V CB 0.435 32.352 31.823 0.157 0.000 1.020 552 V HN 0.431 nan 8.190 nan 0.000 0.491 553 A N -0.585 122.312 122.820 0.129 0.000 2.593 553 A HA 0.811 5.131 4.320 0.000 0.000 0.290 553 A C -0.245 177.010 177.584 -0.549 0.000 1.126 553 A CA 0.067 52.053 52.037 -0.085 0.000 0.695 553 A CB 1.160 19.976 19.000 -0.306 0.000 1.290 553 A HN 0.413 nan 8.150 nan 0.000 0.414 554 G N -1.516 106.667 108.800 -1.030 0.000 2.412 554 G HA2 0.541 4.501 3.960 0.000 0.000 0.318 554 G HA3 0.541 4.501 3.960 0.000 0.000 0.318 554 G C -0.907 173.339 174.900 -1.090 0.000 1.146 554 G CA -0.080 44.089 45.100 -1.552 0.000 0.882 554 G HN 0.600 nan 8.290 nan 0.000 0.501 555 Y N 0.330 120.443 120.300 -0.311 0.000 2.830 555 Y HA 0.275 4.825 4.550 -0.000 0.000 0.255 555 Y C 1.346 177.195 175.900 -0.086 0.000 1.130 555 Y CA -0.884 57.138 58.100 -0.130 0.000 1.217 555 Y CB 0.347 38.786 38.460 -0.035 0.000 1.296 555 Y HN 0.517 nan 8.280 nan 0.000 0.571 556 S N 1.107 116.796 115.700 -0.019 0.000 2.885 556 S HA 0.248 4.718 4.470 0.000 0.000 0.334 556 S C 1.479 176.111 174.600 0.054 0.000 1.224 556 S CA 1.603 59.820 58.200 0.028 0.000 1.080 556 S CB -0.278 62.932 63.200 0.017 0.000 0.801 556 S HN 1.113 nan 8.310 nan 0.000 0.510 557 G N 3.585 112.420 108.800 0.059 0.000 2.162 557 G HA2 -0.226 3.734 3.960 0.000 0.000 0.260 557 G HA3 -0.226 3.734 3.960 0.000 0.000 0.260 557 G C 0.813 175.760 174.900 0.078 0.000 0.976 557 G CA 0.354 45.490 45.100 0.060 0.000 0.655 557 G HN 1.389 nan 8.290 nan 0.000 0.533 558 G N -0.147 108.712 108.800 0.099 0.000 2.985 558 G HA2 0.364 4.324 3.960 0.000 0.000 0.209 558 G HA3 0.364 4.324 3.960 0.000 0.000 0.209 558 G C 0.514 175.458 174.900 0.074 0.000 1.165 558 G CA 1.115 46.290 45.100 0.125 0.000 0.776 558 G HN 1.310 nan 8.290 nan 0.000 0.541 559 D N -0.463 119.955 120.400 0.030 0.000 2.705 559 D HA -0.164 4.476 4.640 0.000 0.000 0.240 559 D C -0.093 176.180 176.300 -0.045 0.000 1.137 559 D CA 0.318 54.313 54.000 -0.008 0.000 0.677 559 D CB -1.167 39.640 40.800 0.011 0.000 1.049 559 D HN 0.105 nan 8.370 nan 0.000 0.427 560 I N 1.256 121.779 120.570 -0.078 0.000 2.441 560 I HA 0.465 4.635 4.170 0.000 0.000 0.295 560 I C 0.064 176.085 176.117 -0.160 0.000 0.994 560 I CA -0.733 60.453 61.300 -0.190 0.000 1.144 560 I CB 1.287 39.073 38.000 -0.356 0.000 1.314 560 I HN 0.149 nan 8.210 nan 0.000 0.445 561 Y N 5.090 125.151 120.300 -0.398 0.000 2.553 561 Y HA 0.588 5.138 4.550 -0.000 0.000 0.347 561 Y C -1.249 174.310 175.900 -0.569 0.000 1.019 561 Y CA -0.580 57.291 58.100 -0.381 0.000 1.032 561 Y CB 1.821 40.125 38.460 -0.259 0.000 1.284 561 Y HN 0.621 nan 8.280 nan 0.000 0.466 562 H N 1.282 119.636 119.070 -1.194 0.000 2.928 562 H HA 0.570 5.126 4.556 0.000 0.000 0.371 562 H C -0.465 174.389 175.328 -0.790 0.000 1.186 562 H CA -0.038 55.535 56.048 -0.792 0.000 1.134 562 H CB 1.946 31.363 29.762 -0.574 0.000 1.824 562 H HN 0.884 nan 8.280 nan 0.000 0.554 563 S N 0.000 115.585 115.700 -0.191 0.000 2.498 563 S HA 0.000 4.470 4.470 0.000 0.000 0.327 563 S CA 0.000 58.163 58.200 -0.062 0.000 1.107 563 S CB 0.000 63.218 63.200 0.031 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517