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 2o59_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRLFIAEKPS LARAIADVLP KPHRKGDGFI ECGNGQVVTW CIGHLLEQAQ DATA SEQUENCE PDAYDSRYAR WNLADLPIVP EKWQLQPRPS VTKQLNVIKR FLHEASEIVH DATA SEQUENCE AGDPDREGQL LVDEVLDYLQ LAPEKRQQVQ RCLINDLNPQ AVERAIDRLR DATA SEQUENCE SNSEFVPLCV SALARARADW LYGINMTRAY TILGRNAGYQ GVLSVGRVQT DATA SEQUENCE PVLGLVVRRD EEIENFVAKD FFEVKAHIVT PADERFTAIW QPSXXCEPYQ DATA SEQUENCE DEEGRLLHRP LAEHVVNRIS GQPAIVTSYN DKRESESAPL PFSLSALQIE DATA SEQUENCE AAKRFGLSAQ NVLDICQKLY ETHKLITYPR SDCRYLPEEH FAGRHAVMNA DATA SEQUENCE ISVHAPDLLP QPVVDPDIRN RCWDDKKVDA HHAIIPTARS SAINLTENEA DATA SEQUENCE KVYNLIARQY LMQFCPDAVF RKCVIELDIA KGKFVAKARF LAEAGWRTLL DATA SEQUENCE GSKXXXXXND GTPLPVVAKG DELLCEKGEV VERQTQPPRH FTDATLLSAM DATA SEQUENCE TGIARFVQDK DLKKILRATD GLGTEATRAG IIELLFKRGF LTKKGRYIHS DATA SEQUENCE TDAGKALFHS LPEMATRPDM TAHWESVLTQ ISEKQCRYQD FMQPLVGTLY DATA SEQUENCE QLIDQAKRTP VRQFRGIXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXG DATA SEQUENCE AIAHHHHH 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.302 176.300 0.004 0.000 1.140 1 M CA 0.000 55.316 55.300 0.026 0.000 0.988 1 M CB 0.000 32.625 32.600 0.042 0.000 1.302 2 R N 3.624 124.122 120.500 -0.003 0.000 2.534 2 R HA 0.783 5.123 4.340 -0.000 0.000 0.301 2 R C -1.977 174.276 176.300 -0.078 0.000 0.961 2 R CA -0.654 55.408 56.100 -0.063 0.000 0.871 2 R CB 1.786 32.041 30.300 -0.075 0.000 1.170 2 R HN 0.637 nan 8.270 nan 0.000 0.446 3 L N 4.913 126.043 121.223 -0.155 0.000 2.313 3 L HA 0.534 4.874 4.340 -0.000 0.000 0.283 3 L C -1.695 175.029 176.870 -0.243 0.000 1.013 3 L CA -0.225 54.539 54.840 -0.127 0.000 0.816 3 L CB 1.227 43.234 42.059 -0.087 0.000 1.236 3 L HN 0.559 nan 8.230 nan 0.000 0.419 4 F N 5.767 125.683 119.950 -0.057 0.000 2.410 4 F HA 0.517 5.044 4.527 -0.000 0.000 0.349 4 F C 0.139 175.916 175.800 -0.040 0.000 1.117 4 F CA -0.330 57.650 58.000 -0.032 0.000 1.104 4 F CB 1.093 40.083 39.000 -0.017 0.000 1.122 4 F HN 0.248 nan 8.300 nan 0.000 0.483 5 I N 3.829 124.461 120.570 0.103 0.000 2.328 5 I HA 0.537 4.707 4.170 -0.000 0.000 0.287 5 I C -0.055 176.104 176.117 0.069 0.000 1.012 5 I CA -0.583 60.743 61.300 0.042 0.000 1.195 5 I CB 1.075 39.039 38.000 -0.060 0.000 1.350 5 I HN 0.652 nan 8.210 nan 0.000 0.464 6 A N 4.341 127.238 122.820 0.129 0.000 2.294 6 A HA 0.404 4.724 4.320 -0.000 0.000 0.330 6 A C 1.009 178.654 177.584 0.102 0.000 1.133 6 A CA -0.460 51.653 52.037 0.127 0.000 0.836 6 A CB 1.193 20.286 19.000 0.155 0.000 1.190 6 A HN 0.783 nan 8.150 nan 0.000 0.492 7 E N 0.701 120.938 120.200 0.062 0.000 2.070 7 E HA -0.185 4.165 4.350 -0.000 0.000 0.197 7 E C 0.480 177.117 176.600 0.062 0.000 1.004 7 E CA 2.347 58.771 56.400 0.039 0.000 0.805 7 E CB -0.141 29.582 29.700 0.038 0.000 0.744 7 E HN 0.661 nan 8.360 nan 0.000 0.451 8 K N -3.885 116.548 120.400 0.055 0.000 2.578 8 K HA 0.315 4.635 4.320 -0.000 0.000 0.287 8 K C -2.562 173.918 176.600 -0.201 0.000 1.010 8 K CA -1.487 54.785 56.287 -0.025 0.000 0.889 8 K CB 1.447 33.918 32.500 -0.049 0.000 1.514 8 K HN -0.366 nan 8.250 nan 0.000 0.424 9 P HA -0.272 nan 4.420 nan 0.000 0.215 9 P C 1.587 178.590 177.300 -0.494 0.000 1.157 9 P CA 1.962 64.474 63.100 -0.981 0.000 0.874 9 P CB 0.040 31.087 31.700 -1.089 0.000 0.790 10 S N -0.832 114.672 115.700 -0.327 0.000 2.381 10 S HA -0.239 4.231 4.470 -0.000 0.000 0.230 10 S C 1.828 176.320 174.600 -0.180 0.000 1.052 10 S CA 1.731 59.798 58.200 -0.220 0.000 1.068 10 S CB -1.114 61.995 63.200 -0.153 0.000 0.918 10 S HN 0.021 nan 8.310 nan 0.000 0.448 11 L N 1.087 122.232 121.223 -0.129 0.000 2.179 11 L HA 0.342 4.682 4.340 -0.000 0.000 0.208 11 L C 2.557 179.379 176.870 -0.079 0.000 1.096 11 L CA 1.500 56.292 54.840 -0.080 0.000 0.779 11 L CB -0.913 41.141 42.059 -0.008 0.000 0.922 11 L HN 0.379 nan 8.230 nan 0.000 0.443 12 A N -0.250 122.529 122.820 -0.069 0.000 1.902 12 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 12 A C 2.386 179.914 177.584 -0.093 0.000 1.181 12 A CA 1.643 53.678 52.037 -0.003 0.000 0.623 12 A CB -0.502 18.623 19.000 0.208 0.000 0.818 12 A HN 0.458 nan 8.150 nan 0.000 0.443 13 R N -0.582 119.821 120.500 -0.163 0.000 2.120 13 R HA -0.044 4.296 4.340 -0.000 0.000 0.234 13 R C 2.362 178.565 176.300 -0.162 0.000 1.123 13 R CA 1.054 57.052 56.100 -0.171 0.000 0.975 13 R CB -0.376 29.810 30.300 -0.189 0.000 0.866 13 R HN 0.523 nan 8.270 nan 0.000 0.446 14 A N 1.023 123.751 122.820 -0.153 0.000 1.929 14 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 14 A C 2.078 179.571 177.584 -0.152 0.000 1.176 14 A CA 0.911 52.864 52.037 -0.140 0.000 0.628 14 A CB -0.259 18.659 19.000 -0.137 0.000 0.816 14 A HN 0.135 nan 8.150 nan 0.000 0.444 15 I N -0.300 120.161 120.570 -0.180 0.000 2.163 15 I HA -0.233 3.937 4.170 -0.000 0.000 0.240 15 I C 3.001 178.929 176.117 -0.316 0.000 1.081 15 I CA 1.053 62.189 61.300 -0.274 0.000 1.353 15 I CB -0.378 37.419 38.000 -0.339 0.000 1.054 15 I HN 0.332 nan 8.210 nan 0.000 0.407 16 A N 0.279 122.920 122.820 -0.297 0.000 1.908 16 A HA -0.308 4.012 4.320 -0.000 0.000 0.218 16 A C 1.918 179.249 177.584 -0.420 0.000 1.181 16 A CA 2.289 54.096 52.037 -0.383 0.000 0.627 16 A CB -0.861 17.913 19.000 -0.378 0.000 0.818 16 A HN 0.394 nan 8.150 nan 0.000 0.445 17 D N -0.872 119.372 120.400 -0.259 0.000 2.254 17 D HA -0.158 4.482 4.640 -0.000 0.000 0.201 17 D C 1.526 177.830 176.300 0.008 0.000 0.998 17 D CA 1.985 55.927 54.000 -0.097 0.000 0.885 17 D CB -0.001 40.748 40.800 -0.083 0.000 0.915 17 D HN 0.526 nan 8.370 nan 0.000 0.460 18 V N -2.912 116.973 119.914 -0.050 0.000 3.346 18 V HA 0.333 4.453 4.120 -0.000 0.000 0.309 18 V C 0.432 176.525 176.094 -0.001 0.000 1.457 18 V CA -0.458 61.836 62.300 -0.009 0.000 1.069 18 V CB -0.213 31.589 31.823 -0.035 0.000 0.944 18 V HN -0.077 nan 8.190 nan 0.000 0.449 19 L N 1.241 122.461 121.223 -0.005 0.000 2.439 19 L HA 0.545 4.885 4.340 -0.000 0.000 0.259 19 L C -2.051 174.918 176.870 0.166 0.000 1.129 19 L CA -1.888 52.974 54.840 0.036 0.000 0.803 19 L CB 0.906 42.941 42.059 -0.039 0.000 1.161 19 L HN 0.054 nan 8.230 nan 0.000 0.462 20 P HA 0.029 nan 4.420 nan 0.000 0.267 20 P C -0.902 176.450 177.300 0.088 0.000 1.200 20 P CA 0.032 63.181 63.100 0.081 0.000 0.772 20 P CB 0.367 32.103 31.700 0.059 0.000 0.855 21 K N 3.143 123.502 120.400 -0.068 0.000 2.138 21 K HA 0.312 4.632 4.320 -0.000 0.000 0.251 21 K C -1.874 174.693 176.600 -0.055 0.000 1.015 21 K CA -1.263 54.900 56.287 -0.206 0.000 0.917 21 K CB -0.300 32.014 32.500 -0.309 0.000 1.021 21 K HN 0.446 nan 8.250 nan 0.000 0.485 22 P HA 0.159 nan 4.420 nan 0.000 0.276 22 P C -0.998 176.329 177.300 0.046 0.000 1.252 22 P CA -0.265 62.789 63.100 -0.076 0.000 0.802 22 P CB 0.579 32.270 31.700 -0.014 0.000 1.035 23 H N 0.701 119.769 119.070 -0.004 0.000 2.638 23 H HA 0.337 4.893 4.556 -0.000 0.000 0.303 23 H C 0.225 175.543 175.328 -0.016 0.000 1.034 23 H CA -0.267 55.775 56.048 -0.011 0.000 1.225 23 H CB 0.736 30.485 29.762 -0.021 0.000 1.394 23 H HN 0.270 nan 8.280 nan 0.000 0.477 24 R N 3.122 123.683 120.500 0.102 0.000 2.215 24 R HA 0.198 4.538 4.340 -0.000 0.000 0.336 24 R C -0.470 175.788 176.300 -0.069 0.000 0.996 24 R CA -0.715 55.400 56.100 0.025 0.000 0.847 24 R CB 0.625 30.951 30.300 0.043 0.000 1.127 24 R HN 0.448 nan 8.270 nan 0.000 0.465 25 K N 2.299 122.655 120.400 -0.074 0.000 2.316 25 K HA 0.277 4.597 4.320 -0.000 0.000 0.289 25 K C -0.400 176.066 176.600 -0.223 0.000 1.070 25 K CA 0.010 56.222 56.287 -0.124 0.000 0.928 25 K CB 1.274 33.742 32.500 -0.054 0.000 1.039 25 K HN 0.754 nan 8.250 nan 0.000 0.480 26 G N 2.197 110.719 108.800 -0.465 0.000 2.600 26 G HA2 0.170 4.130 3.960 -0.000 0.000 0.303 26 G HA3 0.170 4.130 3.960 -0.000 0.000 0.303 26 G C -1.264 173.443 174.900 -0.321 0.000 1.253 26 G CA -0.824 43.944 45.100 -0.554 0.000 0.974 26 G HN 0.746 nan 8.290 nan 0.000 0.483 27 D N -0.566 119.777 120.400 -0.094 0.000 2.358 27 D HA 0.377 5.017 4.640 -0.000 0.000 0.258 27 D C 1.149 177.517 176.300 0.115 0.000 1.223 27 D CA 0.491 54.532 54.000 0.068 0.000 0.886 27 D CB 0.811 41.668 40.800 0.094 0.000 1.120 27 D HN 1.295 nan 8.370 nan 0.000 0.482 28 G N 1.880 110.745 108.800 0.108 0.000 2.213 28 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.236 28 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.236 28 G C 0.025 174.396 174.900 -0.882 0.000 0.991 28 G CA 0.309 45.242 45.100 -0.279 0.000 0.629 28 G HN 0.796 nan 8.290 nan 0.000 0.517 29 F N -1.144 118.455 119.950 -0.585 0.000 2.715 29 F HA 0.866 5.393 4.527 -0.000 0.000 0.318 29 F C -1.002 174.759 175.800 -0.066 0.000 1.141 29 F CA -2.481 55.227 58.000 -0.487 0.000 0.950 29 F CB 1.053 39.843 39.000 -0.350 0.000 1.374 29 F HN 0.084 nan 8.300 nan 0.000 0.477 30 I N 1.300 121.873 120.570 0.005 0.000 2.548 30 I HA 0.287 4.457 4.170 -0.000 0.000 0.287 30 I C -1.403 174.746 176.117 0.052 0.000 1.103 30 I CA -0.623 60.651 61.300 -0.044 0.000 1.049 30 I CB 2.310 40.319 38.000 0.014 0.000 1.232 30 I HN 0.784 nan 8.210 nan 0.000 0.429 31 E N 5.239 125.490 120.200 0.085 0.000 2.214 31 E HA 0.737 5.087 4.350 -0.000 0.000 0.274 31 E C -1.139 175.524 176.600 0.106 0.000 0.977 31 E CA -0.671 55.804 56.400 0.125 0.000 0.827 31 E CB 1.970 31.803 29.700 0.222 0.000 1.130 31 E HN 0.420 nan 8.360 nan 0.000 0.394 32 C N 1.681 121.045 119.300 0.107 0.000 3.028 32 C HA 0.792 5.252 4.460 -0.000 0.000 0.338 32 C C 0.896 175.956 174.990 0.117 0.000 1.366 32 C CA -0.423 58.684 59.018 0.148 0.000 1.610 32 C CB 1.272 29.087 27.740 0.124 0.000 2.063 32 C HN 0.981 nan 8.230 nan 0.000 0.463 33 G N 0.395 109.261 108.800 0.110 0.000 2.616 33 G HA2 0.403 4.363 3.960 -0.000 0.000 0.268 33 G HA3 0.403 4.363 3.960 -0.000 0.000 0.268 33 G C 0.399 175.344 174.900 0.075 0.000 1.213 33 G CA 0.553 45.698 45.100 0.075 0.000 0.926 33 G HN 1.052 nan 8.290 nan 0.000 0.523 34 N N -1.606 117.130 118.700 0.061 0.000 2.828 34 N HA -0.152 4.588 4.740 -0.000 0.000 0.248 34 N C 1.176 176.723 175.510 0.063 0.000 1.044 34 N CA 2.347 55.432 53.050 0.059 0.000 0.851 34 N CB -1.291 37.235 38.487 0.065 0.000 1.136 34 N HN 2.139 nan 8.380 nan 0.000 0.572 35 G N -0.436 108.403 108.800 0.065 0.000 2.295 35 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.287 35 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.287 35 G C -0.429 174.512 174.900 0.069 0.000 1.055 35 G CA 0.663 45.801 45.100 0.064 0.000 0.922 35 G HN 0.592 nan 8.290 nan 0.000 0.503 36 Q N -0.854 118.999 119.800 0.089 0.000 2.245 36 Q HA 0.656 4.996 4.340 -0.000 0.000 0.256 36 Q C -0.157 175.894 176.000 0.085 0.000 0.942 36 Q CA -0.632 55.245 55.803 0.124 0.000 0.896 36 Q CB 2.779 31.630 28.738 0.189 0.000 1.272 36 Q HN 0.320 nan 8.270 nan 0.000 0.442 37 V N 1.727 121.679 119.914 0.065 0.000 2.638 37 V HA 0.390 4.510 4.120 -0.000 0.000 0.306 37 V C -0.400 175.705 176.094 0.018 0.000 1.052 37 V CA -0.868 61.393 62.300 -0.064 0.000 0.885 37 V CB 2.173 33.767 31.823 -0.381 0.000 0.999 37 V HN 0.515 nan 8.190 nan 0.000 0.424 38 V N 3.422 123.342 119.914 0.010 0.000 2.334 38 V HA 0.586 4.706 4.120 -0.000 0.000 0.281 38 V C 0.229 176.347 176.094 0.040 0.000 1.016 38 V CA -0.075 62.270 62.300 0.075 0.000 0.832 38 V CB 1.405 33.249 31.823 0.035 0.000 0.999 38 V HN 0.972 nan 8.190 nan 0.000 0.439 39 T N 4.348 118.896 114.554 -0.010 0.000 2.927 39 T HA 0.819 5.169 4.350 -0.000 0.000 0.286 39 T C -1.300 173.427 174.700 0.046 0.000 1.040 39 T CA -0.450 61.538 62.100 -0.185 0.000 1.010 39 T CB 1.563 70.264 68.868 -0.278 0.000 1.177 39 T HN 0.784 nan 8.240 nan 0.000 0.546 40 W N -0.304 121.013 121.300 0.027 0.000 3.038 40 W HA 0.741 5.401 4.660 -0.000 0.000 0.347 40 W C -1.368 175.148 176.519 -0.005 0.000 1.219 40 W CA -1.058 56.288 57.345 0.001 0.000 1.142 40 W CB 0.017 29.474 29.460 -0.005 0.000 1.484 40 W HN 0.619 nan 8.180 nan 0.000 0.586 41 C N 1.366 120.833 119.300 0.279 0.000 2.335 41 C HA 0.691 5.151 4.460 -0.000 0.000 0.363 41 C C 0.263 175.416 174.990 0.271 0.000 1.198 41 C CA -0.579 58.539 59.018 0.167 0.000 2.279 41 C CB 0.496 28.258 27.740 0.036 0.000 2.334 41 C HN 0.508 nan 8.230 nan 0.000 0.559 42 I N 2.519 123.194 120.570 0.175 0.000 2.595 42 I HA 0.458 4.628 4.170 -0.000 0.000 0.275 42 I C 0.791 176.959 176.117 0.085 0.000 1.092 42 I CA 0.370 61.762 61.300 0.152 0.000 1.145 42 I CB 0.058 38.166 38.000 0.180 0.000 1.276 42 I HN 1.048 nan 8.210 nan 0.000 0.497 43 G N 4.533 113.366 108.800 0.055 0.000 2.641 43 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.254 43 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.254 43 G C -0.112 174.793 174.900 0.008 0.000 1.315 43 G CA -0.544 44.582 45.100 0.044 0.000 0.907 43 G HN 0.656 nan 8.290 nan 0.000 0.572 44 H N 0.295 119.386 119.070 0.034 0.000 2.964 44 H HA 0.168 4.723 4.556 -0.000 0.000 0.328 44 H C 1.562 176.891 175.328 0.003 0.000 1.030 44 H CA 0.792 56.850 56.048 0.017 0.000 1.445 44 H CB 0.572 30.345 29.762 0.018 0.000 1.449 44 H HN 0.362 nan 8.280 nan 0.000 0.581 45 L N 3.295 124.563 121.223 0.075 0.000 2.558 45 L HA 0.053 4.393 4.340 -0.000 0.000 0.225 45 L C 0.040 176.888 176.870 -0.037 0.000 1.128 45 L CA 0.447 55.295 54.840 0.015 0.000 0.868 45 L CB 0.169 42.216 42.059 -0.019 0.000 1.006 45 L HN 0.284 nan 8.230 nan 0.000 0.454 46 L N -0.125 121.094 121.223 -0.006 0.000 2.327 46 L HA 0.509 4.849 4.340 -0.000 0.000 0.258 46 L C -0.318 176.539 176.870 -0.021 0.000 1.024 46 L CA -0.424 54.365 54.840 -0.085 0.000 0.825 46 L CB 1.927 43.882 42.059 -0.174 0.000 1.386 46 L HN 0.097 nan 8.230 nan 0.000 0.417 47 E N -0.256 119.918 120.200 -0.042 0.000 2.413 47 E HA 0.386 4.736 4.350 -0.000 0.000 0.277 47 E C -1.297 175.305 176.600 0.003 0.000 0.958 47 E CA -0.965 55.418 56.400 -0.028 0.000 0.779 47 E CB 1.518 31.224 29.700 0.009 0.000 1.278 47 E HN 0.320 nan 8.360 nan 0.000 0.456 48 Q N 0.726 120.540 119.800 0.023 0.000 2.308 48 Q HA 0.116 4.456 4.340 -0.000 0.000 0.313 48 Q C 0.170 176.226 176.000 0.092 0.000 1.075 48 Q CA 0.509 56.333 55.803 0.034 0.000 0.995 48 Q CB 0.522 29.248 28.738 -0.020 0.000 1.107 48 Q HN 0.610 nan 8.270 nan 0.000 0.380 49 A N 4.254 127.109 122.820 0.059 0.000 2.507 49 A HA 0.021 4.341 4.320 -0.000 0.000 0.235 49 A C 0.483 178.202 177.584 0.225 0.000 1.070 49 A CA -0.237 51.829 52.037 0.049 0.000 0.768 49 A CB 0.332 19.244 19.000 -0.146 0.000 1.011 49 A HN 0.622 nan 8.150 nan 0.000 0.502 50 Q N 0.785 120.719 119.800 0.222 0.000 2.394 50 Q HA 0.141 4.481 4.340 -0.000 0.000 0.248 50 Q C -1.663 174.598 176.000 0.434 0.000 0.992 50 Q CA -1.656 54.359 55.803 0.353 0.000 0.888 50 Q CB -0.137 28.738 28.738 0.228 0.000 1.257 50 Q HN 0.442 nan 8.270 nan 0.000 0.462 51 P HA -0.226 nan 4.420 nan 0.000 0.217 51 P C 0.341 177.962 177.300 0.533 0.000 1.148 51 P CA 1.876 65.337 63.100 0.601 0.000 0.834 51 P CB 0.098 31.962 31.700 0.274 0.000 0.783 52 D N -1.474 119.126 120.400 0.332 0.000 2.363 52 D HA -0.006 4.634 4.640 -0.000 0.000 0.220 52 D C 1.681 178.026 176.300 0.076 0.000 0.994 52 D CA 0.524 54.656 54.000 0.219 0.000 0.890 52 D CB -0.592 40.308 40.800 0.167 0.000 0.906 52 D HN 0.072 nan 8.370 nan 0.000 0.530 53 A N -0.011 122.802 122.820 -0.012 0.000 1.969 53 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 53 A C 1.562 178.946 177.584 -0.332 0.000 1.169 53 A CA 0.792 52.686 52.037 -0.238 0.000 0.635 53 A CB -0.894 17.851 19.000 -0.425 0.000 0.810 53 A HN 0.397 nan 8.150 nan 0.000 0.445 54 Y N -0.909 119.433 120.300 0.069 0.000 2.243 54 Y HA 0.106 4.656 4.550 -0.000 0.000 0.293 54 Y C 0.734 176.576 175.900 -0.096 0.000 1.124 54 Y CA 0.937 59.053 58.100 0.026 0.000 1.159 54 Y CB 0.423 38.951 38.460 0.114 0.000 1.008 54 Y HN 0.226 nan 8.280 nan 0.000 0.527 55 D N -1.191 119.144 120.400 -0.109 0.000 2.966 55 D HA 0.094 4.734 4.640 -0.000 0.000 0.222 55 D C 0.543 176.682 176.300 -0.268 0.000 1.292 55 D CA 0.287 54.052 54.000 -0.392 0.000 0.907 55 D CB 1.786 41.998 40.800 -0.981 0.000 1.621 55 D HN 0.078 nan 8.370 nan 0.000 0.557 56 S N 3.732 119.345 115.700 -0.145 0.000 2.400 56 S HA -0.264 4.206 4.470 -0.000 0.000 0.232 56 S C 1.765 176.353 174.600 -0.021 0.000 1.025 56 S CA 1.182 59.352 58.200 -0.050 0.000 0.993 56 S CB -0.315 62.864 63.200 -0.035 0.000 0.808 56 S HN 0.697 nan 8.310 nan 0.000 0.478 57 R N 0.436 120.885 120.500 -0.084 0.000 2.241 57 R HA -0.048 4.292 4.340 -0.000 0.000 0.224 57 R C 1.490 177.882 176.300 0.153 0.000 1.101 57 R CA 1.269 57.371 56.100 0.004 0.000 0.995 57 R CB -0.768 29.517 30.300 -0.025 0.000 0.870 57 R HN 0.620 nan 8.270 nan 0.000 0.463 58 Y N 0.362 120.708 120.300 0.076 0.000 2.616 58 Y HA 0.052 4.602 4.550 -0.000 0.000 0.296 58 Y C 2.533 178.511 175.900 0.129 0.000 1.154 58 Y CA -0.199 57.951 58.100 0.084 0.000 1.325 58 Y CB 0.138 38.653 38.460 0.092 0.000 1.007 58 Y HN 0.293 nan 8.280 nan 0.000 0.542 59 A N 0.713 123.703 122.820 0.283 0.000 2.067 59 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 59 A C 1.302 179.075 177.584 0.314 0.000 1.158 59 A CA 0.455 52.651 52.037 0.265 0.000 0.661 59 A CB -0.391 18.710 19.000 0.168 0.000 0.801 59 A HN 0.226 nan 8.150 nan 0.000 0.452 60 R N -0.237 120.424 120.500 0.268 0.000 2.267 60 R HA 0.227 4.567 4.340 -0.000 0.000 0.319 60 R C -1.532 174.985 176.300 0.361 0.000 1.067 60 R CA -0.591 55.665 56.100 0.259 0.000 0.936 60 R CB -0.077 30.319 30.300 0.161 0.000 1.006 60 R HN 0.346 nan 8.270 nan 0.000 0.452 61 W N 5.466 126.773 121.300 0.011 0.000 2.437 61 W HA 0.233 4.893 4.660 -0.000 0.000 0.312 61 W C -0.211 176.293 176.519 -0.024 0.000 1.242 61 W CA -0.383 56.951 57.345 -0.019 0.000 1.340 61 W CB -0.131 29.311 29.460 -0.031 0.000 1.327 61 W HN 0.733 nan 8.180 nan 0.000 0.476 62 N N 0.636 119.403 118.700 0.112 0.000 2.494 62 N HA 0.397 5.137 4.740 -0.000 0.000 0.270 62 N C -0.244 175.243 175.510 -0.039 0.000 1.285 62 N CA -0.860 52.218 53.050 0.047 0.000 0.812 62 N CB 1.192 39.713 38.487 0.056 0.000 1.557 62 N HN 0.185 nan 8.380 nan 0.000 0.487 63 L N -0.298 120.898 121.223 -0.045 0.000 2.217 63 L HA 0.109 4.449 4.340 -0.000 0.000 0.211 63 L C 2.207 179.032 176.870 -0.075 0.000 1.107 63 L CA 1.293 56.080 54.840 -0.087 0.000 0.783 63 L CB -0.475 41.537 42.059 -0.079 0.000 0.919 63 L HN 0.867 nan 8.230 nan 0.000 0.442 64 A N -0.383 122.416 122.820 -0.035 0.000 2.014 64 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 64 A C 1.739 179.314 177.584 -0.015 0.000 1.163 64 A CA 1.420 53.449 52.037 -0.014 0.000 0.652 64 A CB -0.253 18.754 19.000 0.012 0.000 0.808 64 A HN 0.301 nan 8.150 nan 0.000 0.449 65 D N -0.240 120.141 120.400 -0.031 0.000 2.347 65 D HA 0.104 4.744 4.640 -0.000 0.000 0.213 65 D C 0.521 176.706 176.300 -0.191 0.000 0.985 65 D CA 0.256 54.227 54.000 -0.049 0.000 0.879 65 D CB -0.081 40.705 40.800 -0.024 0.000 0.919 65 D HN 0.389 nan 8.370 nan 0.000 0.526 66 L N 2.496 123.591 121.223 -0.213 0.000 2.417 66 L HA 0.247 4.587 4.340 -0.000 0.000 0.268 66 L C -1.995 174.698 176.870 -0.294 0.000 1.158 66 L CA -1.646 53.017 54.840 -0.294 0.000 0.819 66 L CB 0.432 42.317 42.059 -0.289 0.000 1.112 66 L HN -0.195 nan 8.230 nan 0.000 0.458 67 P HA 0.241 nan 4.420 nan 0.000 0.284 67 P C -0.693 176.354 177.300 -0.421 0.000 1.253 67 P CA -0.337 62.470 63.100 -0.488 0.000 0.800 67 P CB 1.109 32.433 31.700 -0.627 0.000 0.961 68 I N 2.606 122.921 120.570 -0.425 0.000 2.379 68 I HA 0.135 4.305 4.170 -0.000 0.000 0.290 68 I C 0.015 176.002 176.117 -0.217 0.000 1.063 68 I CA -0.199 60.859 61.300 -0.403 0.000 1.351 68 I CB 0.690 38.353 38.000 -0.561 0.000 1.410 68 I HN 0.021 nan 8.210 nan 0.000 0.505 69 V N 8.194 127.992 119.914 -0.193 0.000 2.398 69 V HA 0.308 4.428 4.120 -0.000 0.000 0.282 69 V C -2.180 173.709 176.094 -0.342 0.000 1.014 69 V CA -1.550 60.641 62.300 -0.181 0.000 0.838 69 V CB 1.113 32.907 31.823 -0.049 0.000 1.018 69 V HN 0.575 nan 8.190 nan 0.000 0.432 70 P HA 0.249 nan 4.420 nan 0.000 0.268 70 P C 0.574 177.555 177.300 -0.532 0.000 1.205 70 P CA -0.084 62.411 63.100 -1.009 0.000 0.771 70 P CB 1.189 31.609 31.700 -2.133 0.000 0.858 71 E N 1.065 121.103 120.200 -0.270 0.000 2.216 71 E HA 0.018 4.368 4.350 -0.000 0.000 0.192 71 E C 0.290 176.892 176.600 0.002 0.000 0.973 71 E CA 0.844 57.202 56.400 -0.070 0.000 0.851 71 E CB 0.280 29.975 29.700 -0.008 0.000 0.804 71 E HN 0.374 nan 8.360 nan 0.000 0.477 72 K N 0.475 120.865 120.400 -0.017 0.000 2.521 72 K HA 0.148 4.468 4.320 -0.000 0.000 0.248 72 K C -1.164 175.528 176.600 0.153 0.000 0.978 72 K CA -0.449 55.900 56.287 0.103 0.000 0.947 72 K CB 0.565 33.124 32.500 0.098 0.000 1.165 72 K HN -0.217 nan 8.250 nan 0.000 0.445 73 W N 2.281 123.633 121.300 0.086 0.000 2.137 73 W HA 0.111 4.771 4.660 -0.000 0.000 0.344 73 W C 0.373 176.985 176.519 0.155 0.000 1.286 73 W CA 0.120 57.540 57.345 0.125 0.000 1.240 73 W CB 0.534 29.985 29.460 -0.014 0.000 1.141 73 W HN 0.364 nan 8.180 nan 0.000 0.579 74 Q N 1.917 121.949 119.800 0.386 0.000 2.356 74 Q HA 0.537 4.877 4.340 -0.000 0.000 0.270 74 Q C -1.026 175.053 176.000 0.131 0.000 1.058 74 Q CA -0.996 54.896 55.803 0.148 0.000 0.802 74 Q CB 2.116 30.782 28.738 -0.120 0.000 1.303 74 Q HN 0.299 nan 8.270 nan 0.000 0.444 75 L N 1.827 123.137 121.223 0.145 0.000 2.309 75 L HA 0.446 4.786 4.340 -0.000 0.000 0.282 75 L C -0.293 176.601 176.870 0.041 0.000 1.036 75 L CA -0.613 54.273 54.840 0.077 0.000 0.806 75 L CB 1.546 43.638 42.059 0.054 0.000 1.220 75 L HN 0.458 nan 8.230 nan 0.000 0.429 76 Q N 3.484 123.275 119.800 -0.015 0.000 2.307 76 Q HA 0.353 4.693 4.340 -0.000 0.000 0.262 76 Q C -2.360 173.581 176.000 -0.098 0.000 0.961 76 Q CA -1.883 53.906 55.803 -0.023 0.000 0.882 76 Q CB 2.092 30.837 28.738 0.012 0.000 1.264 76 Q HN 0.273 nan 8.270 nan 0.000 0.446 77 P HA -0.051 nan 4.420 nan 0.000 0.263 77 P C -0.894 176.376 177.300 -0.050 0.000 1.195 77 P CA 0.197 63.210 63.100 -0.146 0.000 0.762 77 P CB 0.430 32.075 31.700 -0.091 0.000 0.799 78 R N 6.053 126.532 120.500 -0.035 0.000 2.370 78 R HA 0.096 4.436 4.340 -0.000 0.000 0.309 78 R C -1.404 174.903 176.300 0.011 0.000 1.059 78 R CA -1.221 54.882 56.100 0.005 0.000 0.981 78 R CB 0.164 30.479 30.300 0.025 0.000 0.972 78 R HN 0.378 nan 8.270 nan 0.000 0.437 79 P HA -0.066 nan 4.420 nan 0.000 0.229 79 P C 0.278 177.592 177.300 0.024 0.000 1.160 79 P CA 0.839 63.951 63.100 0.021 0.000 0.777 79 P CB 0.421 32.136 31.700 0.024 0.000 0.814 80 S N -1.675 114.043 115.700 0.029 0.000 2.556 80 S HA 0.084 4.554 4.470 -0.000 0.000 0.216 80 S C 1.185 175.808 174.600 0.039 0.000 0.970 80 S CA 0.227 58.447 58.200 0.033 0.000 0.912 80 S CB -0.798 62.423 63.200 0.035 0.000 0.790 80 S HN 0.127 nan 8.310 nan 0.000 0.504 81 V N -2.627 117.308 119.914 0.036 0.000 3.159 81 V HA 0.334 4.454 4.120 -0.000 0.000 0.333 81 V C 1.343 177.453 176.094 0.026 0.000 1.424 81 V CA 0.030 62.354 62.300 0.041 0.000 1.125 81 V CB -0.818 31.035 31.823 0.050 0.000 1.075 81 V HN 0.206 nan 8.190 nan 0.000 0.482 82 T N 0.688 115.254 114.554 0.020 0.000 2.699 82 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 82 T C 1.936 176.642 174.700 0.011 0.000 1.036 82 T CA 2.000 64.107 62.100 0.013 0.000 1.147 82 T CB -0.236 68.642 68.868 0.017 0.000 0.862 82 T HN 0.368 nan 8.240 nan 0.000 0.446 83 K N 0.841 121.251 120.400 0.017 0.000 2.097 83 K HA -0.058 4.262 4.320 -0.000 0.000 0.206 83 K C 2.398 178.998 176.600 0.000 0.000 1.049 83 K CA 1.199 57.493 56.287 0.012 0.000 0.933 83 K CB -0.400 32.115 32.500 0.025 0.000 0.717 83 K HN 0.304 nan 8.250 nan 0.000 0.442 84 Q N 0.795 120.598 119.800 0.006 0.000 2.119 84 Q HA -0.077 4.263 4.340 -0.000 0.000 0.201 84 Q C 1.910 177.885 176.000 -0.041 0.000 0.972 84 Q CA 0.874 56.664 55.803 -0.023 0.000 0.847 84 Q CB -0.269 28.474 28.738 0.008 0.000 0.903 84 Q HN 0.153 nan 8.270 nan 0.000 0.433 85 L N 0.501 121.711 121.223 -0.022 0.000 2.046 85 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 85 L C 1.499 178.350 176.870 -0.032 0.000 1.077 85 L CA 1.851 56.678 54.840 -0.022 0.000 0.747 85 L CB -0.739 41.314 42.059 -0.010 0.000 0.896 85 L HN 0.247 nan 8.230 nan 0.000 0.432 86 N N -0.793 117.886 118.700 -0.035 0.000 2.244 86 N HA -0.117 4.623 4.740 -0.000 0.000 0.183 86 N C 1.892 177.333 175.510 -0.116 0.000 1.016 86 N CA 1.481 54.493 53.050 -0.064 0.000 0.866 86 N CB -0.326 38.131 38.487 -0.050 0.000 0.980 86 N HN 0.266 nan 8.380 nan 0.000 0.430 87 V N 1.969 121.825 119.914 -0.096 0.000 2.295 87 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 87 V C 2.285 178.336 176.094 -0.072 0.000 1.049 87 V CA 1.241 63.473 62.300 -0.113 0.000 1.024 87 V CB -0.411 31.389 31.823 -0.039 0.000 0.648 87 V HN 0.231 nan 8.190 nan 0.000 0.447 88 I N -0.244 120.295 120.570 -0.051 0.000 2.264 88 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 88 I C 2.567 178.629 176.117 -0.092 0.000 1.111 88 I CA 1.797 63.078 61.300 -0.032 0.000 1.382 88 I CB -0.418 37.552 38.000 -0.050 0.000 1.060 88 I HN 0.299 nan 8.210 nan 0.000 0.418 89 K N 1.245 121.554 120.400 -0.151 0.000 2.097 89 K HA -0.217 4.103 4.320 -0.000 0.000 0.205 89 K C 2.321 178.703 176.600 -0.362 0.000 1.050 89 K CA 1.167 57.286 56.287 -0.279 0.000 0.938 89 K CB -0.033 32.338 32.500 -0.216 0.000 0.718 89 K HN 0.141 nan 8.250 nan 0.000 0.442 90 R N -0.203 120.099 120.500 -0.330 0.000 2.080 90 R HA -0.148 4.192 4.340 -0.000 0.000 0.236 90 R C 1.785 177.810 176.300 -0.457 0.000 1.137 90 R CA 2.064 57.889 56.100 -0.458 0.000 0.943 90 R CB -0.430 29.461 30.300 -0.682 0.000 0.846 90 R HN 0.187 nan 8.270 nan 0.000 0.431 91 F N -0.199 119.621 119.950 -0.218 0.000 2.615 91 F HA 0.029 4.556 4.527 -0.000 0.000 0.297 91 F C 1.867 177.587 175.800 -0.133 0.000 1.124 91 F CA -0.108 57.783 58.000 -0.182 0.000 1.451 91 F CB 0.037 38.913 39.000 -0.206 0.000 1.103 91 F HN 0.073 nan 8.300 nan 0.000 0.569 92 L N -0.392 120.818 121.223 -0.022 0.000 2.044 92 L HA -0.163 4.177 4.340 -0.000 0.000 0.205 92 L C 2.119 179.021 176.870 0.055 0.000 1.075 92 L CA 1.796 56.616 54.840 -0.033 0.000 0.747 92 L CB -0.787 41.194 42.059 -0.130 0.000 0.903 92 L HN 0.080 nan 8.230 nan 0.000 0.435 93 H N -1.268 117.788 119.070 -0.023 0.000 2.562 93 H HA 0.037 4.593 4.556 -0.000 0.000 0.272 93 H C 1.576 176.887 175.328 -0.028 0.000 1.019 93 H CA 0.649 56.678 56.048 -0.030 0.000 1.160 93 H CB 0.039 29.774 29.762 -0.045 0.000 1.334 93 H HN 0.547 nan 8.280 nan 0.000 0.611 94 E N -0.176 120.074 120.200 0.083 0.000 2.453 94 E HA 0.267 4.617 4.350 -0.000 0.000 0.211 94 E C 0.318 176.956 176.600 0.062 0.000 0.897 94 E CA -0.069 56.363 56.400 0.053 0.000 1.063 94 E CB 0.601 30.316 29.700 0.024 0.000 1.080 94 E HN 0.239 nan 8.360 nan 0.000 0.512 95 A N 0.585 123.443 122.820 0.065 0.000 2.363 95 A HA 0.325 4.645 4.320 -0.000 0.000 0.270 95 A C 0.853 178.449 177.584 0.021 0.000 1.121 95 A CA -0.193 51.869 52.037 0.040 0.000 0.800 95 A CB 1.137 20.151 19.000 0.023 0.000 1.052 95 A HN 0.205 nan 8.150 nan 0.000 0.493 96 S N 1.358 117.063 115.700 0.009 0.000 2.348 96 S HA -0.012 4.458 4.470 -0.000 0.000 0.219 96 S C 0.592 175.182 174.600 -0.017 0.000 1.033 96 S CA 1.158 59.358 58.200 -0.000 0.000 0.974 96 S CB -0.147 63.054 63.200 0.002 0.000 0.868 96 S HN 0.822 nan 8.310 nan 0.000 0.459 97 E N -0.158 120.019 120.200 -0.038 0.000 2.202 97 E HA 0.628 4.978 4.350 -0.000 0.000 0.272 97 E C -1.287 175.251 176.600 -0.104 0.000 0.951 97 E CA -0.296 56.061 56.400 -0.071 0.000 0.813 97 E CB 1.436 31.080 29.700 -0.093 0.000 1.151 97 E HN 0.073 nan 8.360 nan 0.000 0.398 98 I N 1.799 122.303 120.570 -0.109 0.000 2.465 98 I HA 0.302 4.472 4.170 -0.000 0.000 0.291 98 I C -1.177 174.836 176.117 -0.172 0.000 1.014 98 I CA -0.743 60.478 61.300 -0.130 0.000 1.093 98 I CB 1.953 39.916 38.000 -0.063 0.000 1.267 98 I HN 0.197 nan 8.210 nan 0.000 0.431 99 V N 5.096 124.851 119.914 -0.264 0.000 2.378 99 V HA 0.279 4.399 4.120 -0.000 0.000 0.288 99 V C -0.243 175.812 176.094 -0.066 0.000 1.016 99 V CA -0.753 61.397 62.300 -0.250 0.000 0.840 99 V CB 1.233 32.685 31.823 -0.618 0.000 0.994 99 V HN 0.618 nan 8.190 nan 0.000 0.431 100 H N 4.933 123.935 119.070 -0.113 0.000 2.864 100 H HA 0.517 5.073 4.556 -0.000 0.000 0.281 100 H C 0.147 175.434 175.328 -0.069 0.000 1.093 100 H CA -0.095 55.904 56.048 -0.083 0.000 1.453 100 H CB 1.408 31.102 29.762 -0.113 0.000 1.462 100 H HN 0.711 nan 8.280 nan 0.000 0.480 101 A N 5.009 127.971 122.820 0.237 0.000 2.956 101 A HA 0.381 4.701 4.320 -0.000 0.000 0.294 101 A C 0.992 178.659 177.584 0.139 0.000 0.993 101 A CA -0.058 52.098 52.037 0.199 0.000 1.032 101 A CB -0.239 18.881 19.000 0.201 0.000 1.129 101 A HN 0.775 nan 8.150 nan 0.000 0.505 102 G N -0.319 108.604 108.800 0.205 0.000 2.606 102 G HA2 0.385 4.345 3.960 -0.000 0.000 0.252 102 G HA3 0.385 4.345 3.960 -0.000 0.000 0.252 102 G C -0.443 174.489 174.900 0.053 0.000 1.206 102 G CA -0.323 44.843 45.100 0.110 0.000 0.861 102 G HN 0.352 nan 8.290 nan 0.000 0.561 103 D N 0.743 121.132 120.400 -0.018 0.000 2.667 103 D HA -0.020 4.620 4.640 -0.000 0.000 0.226 103 D C -1.533 174.634 176.300 -0.221 0.000 1.137 103 D CA 0.007 53.907 54.000 -0.167 0.000 0.855 103 D CB 0.996 41.739 40.800 -0.095 0.000 1.194 103 D HN 0.124 nan 8.370 nan 0.000 0.492 104 P HA 0.036 nan 4.420 nan 0.000 0.232 104 P C -0.886 176.359 177.300 -0.090 0.000 1.738 104 P CA 0.030 62.991 63.100 -0.232 0.000 0.948 104 P CB -0.041 31.508 31.700 -0.252 0.000 1.943 105 D N -2.046 118.328 120.400 -0.044 0.000 2.713 105 D HA 0.156 4.796 4.640 -0.000 0.000 0.306 105 D C 1.101 177.451 176.300 0.084 0.000 1.299 105 D CA -0.976 53.072 54.000 0.080 0.000 0.823 105 D CB 0.576 41.373 40.800 -0.005 0.000 1.353 105 D HN -0.257 nan 8.370 nan 0.000 0.447 106 R N -0.457 120.111 120.500 0.113 0.000 2.143 106 R HA -0.209 4.131 4.340 -0.000 0.000 0.239 106 R C 1.612 177.970 176.300 0.098 0.000 1.126 106 R CA 2.291 58.453 56.100 0.103 0.000 0.927 106 R CB -0.180 30.179 30.300 0.098 0.000 0.860 106 R HN 0.498 nan 8.270 nan 0.000 0.433 107 E N -0.912 119.347 120.200 0.097 0.000 2.051 107 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 107 E C 2.004 178.652 176.600 0.082 0.000 0.991 107 E CA 1.453 57.919 56.400 0.112 0.000 0.799 107 E CB -0.640 29.131 29.700 0.120 0.000 0.748 107 E HN 0.606 nan 8.360 nan 0.000 0.449 108 G N 1.109 109.945 108.800 0.061 0.000 2.440 108 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.218 108 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.218 108 G C 1.653 176.639 174.900 0.144 0.000 1.154 108 G CA 1.182 46.315 45.100 0.055 0.000 0.767 108 G HN 0.252 nan 8.290 nan 0.000 0.552 109 Q N -0.298 119.577 119.800 0.125 0.000 2.050 109 Q HA -0.010 4.330 4.340 -0.000 0.000 0.202 109 Q C 2.379 178.531 176.000 0.254 0.000 0.980 109 Q CA 1.206 57.108 55.803 0.164 0.000 0.840 109 Q CB -0.529 28.249 28.738 0.067 0.000 0.898 109 Q HN 0.374 nan 8.270 nan 0.000 0.424 110 L N -0.126 121.189 121.223 0.155 0.000 2.046 110 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 110 L C 2.102 179.041 176.870 0.116 0.000 1.077 110 L CA 1.581 56.504 54.840 0.138 0.000 0.747 110 L CB -0.913 41.228 42.059 0.137 0.000 0.896 110 L HN 0.474 nan 8.230 nan 0.000 0.432 111 L N -1.303 119.952 121.223 0.053 0.000 2.043 111 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 111 L C 2.100 178.912 176.870 -0.096 0.000 1.075 111 L CA 2.126 56.901 54.840 -0.108 0.000 0.752 111 L CB -0.486 41.411 42.059 -0.269 0.000 0.891 111 L HN 0.143 nan 8.230 nan 0.000 0.432 112 V N -1.344 118.483 119.914 -0.144 0.000 2.949 112 V HA -0.050 4.070 4.120 -0.000 0.000 0.245 112 V C 2.048 178.064 176.094 -0.130 0.000 1.086 112 V CA 1.053 63.179 62.300 -0.290 0.000 1.097 112 V CB -0.449 30.869 31.823 -0.842 0.000 0.762 112 V HN 0.323 nan 8.190 nan 0.000 0.470 113 D N 0.598 121.015 120.400 0.028 0.000 2.144 113 D HA -0.159 4.481 4.640 -0.000 0.000 0.199 113 D C 2.148 178.493 176.300 0.075 0.000 0.984 113 D CA 1.206 55.265 54.000 0.099 0.000 0.834 113 D CB -0.016 40.874 40.800 0.150 0.000 0.955 113 D HN 0.499 nan 8.370 nan 0.000 0.465 114 E N 0.014 120.256 120.200 0.071 0.000 2.070 114 E HA -0.158 4.192 4.350 -0.000 0.000 0.197 114 E C 2.198 178.853 176.600 0.092 0.000 1.004 114 E CA 0.874 57.322 56.400 0.080 0.000 0.805 114 E CB 0.063 29.813 29.700 0.084 0.000 0.744 114 E HN 0.067 nan 8.360 nan 0.000 0.451 115 V N 1.139 121.083 119.914 0.050 0.000 2.427 115 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 115 V C 2.210 178.359 176.094 0.092 0.000 1.051 115 V CA 1.364 63.698 62.300 0.057 0.000 1.048 115 V CB -0.330 31.490 31.823 -0.006 0.000 0.666 115 V HN 0.282 nan 8.190 nan 0.000 0.456 116 L N -0.371 120.888 121.223 0.060 0.000 2.093 116 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 116 L C 2.239 179.164 176.870 0.091 0.000 1.085 116 L CA 1.335 56.213 54.840 0.064 0.000 0.755 116 L CB -0.658 41.430 42.059 0.047 0.000 0.904 116 L HN 0.342 nan 8.230 nan 0.000 0.435 117 D N -0.989 119.475 120.400 0.108 0.000 2.162 117 D HA -0.183 4.457 4.640 -0.000 0.000 0.203 117 D C 1.904 178.277 176.300 0.121 0.000 0.967 117 D CA 1.000 55.063 54.000 0.105 0.000 0.840 117 D CB -0.168 40.692 40.800 0.100 0.000 0.972 117 D HN 0.268 nan 8.370 nan 0.000 0.482 118 Y N 1.337 121.658 120.300 0.034 0.000 2.200 118 Y HA -0.056 4.494 4.550 -0.000 0.000 0.290 118 Y C 1.891 177.812 175.900 0.034 0.000 1.137 118 Y CA 1.291 59.410 58.100 0.033 0.000 1.163 118 Y CB -0.157 38.320 38.460 0.028 0.000 0.988 118 Y HN -0.124 nan 8.280 nan 0.000 0.518 119 L N 0.662 121.965 121.223 0.135 0.000 2.599 119 L HA -0.010 4.330 4.340 -0.000 0.000 0.230 119 L C -0.074 176.836 176.870 0.065 0.000 1.141 119 L CA 0.326 55.200 54.840 0.057 0.000 0.877 119 L CB -0.694 41.415 42.059 0.083 0.000 1.009 119 L HN 0.278 nan 8.230 nan 0.000 0.447 120 Q N 0.783 120.609 119.800 0.043 0.000 2.474 120 Q HA -0.186 4.154 4.340 -0.000 0.000 0.282 120 Q C -0.819 175.237 176.000 0.093 0.000 1.323 120 Q CA 0.295 56.123 55.803 0.042 0.000 0.820 120 Q CB -0.621 28.110 28.738 -0.012 0.000 0.914 120 Q HN 0.152 nan 8.270 nan 0.000 0.304 121 L N 1.849 123.121 121.223 0.081 0.000 2.282 121 L HA 0.694 5.034 4.340 -0.000 0.000 0.288 121 L C -0.005 176.888 176.870 0.038 0.000 1.033 121 L CA 0.371 55.263 54.840 0.085 0.000 0.807 121 L CB 1.443 43.549 42.059 0.079 0.000 1.209 121 L HN 0.617 nan 8.230 nan 0.000 0.423 122 A N 7.014 129.839 122.820 0.009 0.000 2.572 122 A HA 0.135 4.455 4.320 -0.000 0.000 0.256 122 A C -1.459 176.132 177.584 0.010 0.000 1.041 122 A CA -0.405 51.627 52.037 -0.008 0.000 0.790 122 A CB -0.711 18.272 19.000 -0.028 0.000 0.947 122 A HN 0.810 nan 8.150 nan 0.000 0.518 123 P HA -0.282 nan 4.420 nan 0.000 0.219 123 P C 1.362 178.675 177.300 0.021 0.000 1.151 123 P CA 1.981 65.100 63.100 0.033 0.000 0.850 123 P CB 0.170 31.892 31.700 0.037 0.000 0.784 124 E N -0.216 119.990 120.200 0.009 0.000 2.230 124 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 124 E C 1.622 178.220 176.600 -0.002 0.000 0.987 124 E CA 1.021 57.422 56.400 0.001 0.000 0.841 124 E CB -0.583 29.116 29.700 -0.002 0.000 0.783 124 E HN 0.261 nan 8.360 nan 0.000 0.481 125 K N 0.851 121.252 120.400 0.002 0.000 2.031 125 K HA -0.049 4.270 4.320 -0.000 0.000 0.205 125 K C 2.470 179.071 176.600 0.000 0.000 1.049 125 K CA 1.178 57.467 56.287 0.003 0.000 0.939 125 K CB -0.117 32.392 32.500 0.014 0.000 0.717 125 K HN 0.011 nan 8.250 nan 0.000 0.438 126 R N 1.258 121.762 120.500 0.008 0.000 2.120 126 R HA -0.189 4.151 4.340 -0.000 0.000 0.234 126 R C 2.062 178.348 176.300 -0.022 0.000 1.123 126 R CA 1.477 57.580 56.100 0.005 0.000 0.975 126 R CB -0.036 30.279 30.300 0.024 0.000 0.866 126 R HN 0.006 nan 8.270 nan 0.000 0.446 127 Q N 0.372 120.154 119.800 -0.029 0.000 2.436 127 Q HA -0.054 4.286 4.340 -0.000 0.000 0.209 127 Q C 0.572 176.547 176.000 -0.042 0.000 0.965 127 Q CA 1.301 57.072 55.803 -0.054 0.000 0.910 127 Q CB 0.432 29.145 28.738 -0.041 0.000 0.980 127 Q HN 0.483 nan 8.270 nan 0.000 0.491 128 Q N -1.014 118.769 119.800 -0.028 0.000 2.135 128 Q HA 0.248 4.588 4.340 -0.000 0.000 0.231 128 Q C -1.072 174.911 176.000 -0.028 0.000 0.817 128 Q CA -0.297 55.490 55.803 -0.026 0.000 1.073 128 Q CB 1.528 30.253 28.738 -0.022 0.000 1.176 128 Q HN 0.025 nan 8.270 nan 0.000 0.478 129 V N 1.870 121.771 119.914 -0.022 0.000 2.555 129 V HA 0.068 4.188 4.120 -0.000 0.000 0.286 129 V C 0.239 176.320 176.094 -0.022 0.000 1.044 129 V CA 0.069 62.356 62.300 -0.021 0.000 1.026 129 V CB 1.202 33.027 31.823 0.003 0.000 0.981 129 V HN 0.310 nan 8.190 nan 0.000 0.480 130 Q N 2.724 122.497 119.800 -0.046 0.000 2.193 130 Q HA 0.645 4.985 4.340 -0.000 0.000 0.246 130 Q C -0.374 175.588 176.000 -0.063 0.000 0.959 130 Q CA -0.830 54.947 55.803 -0.044 0.000 0.904 130 Q CB 1.480 30.182 28.738 -0.060 0.000 1.238 130 Q HN 0.546 nan 8.270 nan 0.000 0.469 131 R N 0.405 120.853 120.500 -0.087 0.000 2.480 131 R HA 0.437 4.777 4.340 -0.000 0.000 0.306 131 R C -1.913 174.311 176.300 -0.128 0.000 0.958 131 R CA -0.436 55.527 56.100 -0.228 0.000 0.861 131 R CB 1.212 31.149 30.300 -0.606 0.000 1.171 131 R HN 0.709 nan 8.270 nan 0.000 0.445 132 C N 6.893 126.149 119.300 -0.075 0.000 2.281 132 C HA 0.568 5.028 4.460 -0.000 0.000 0.323 132 C C -0.873 174.100 174.990 -0.028 0.000 1.270 132 C CA -0.792 58.238 59.018 0.019 0.000 1.559 132 C CB -0.589 27.243 27.740 0.154 0.000 2.239 132 C HN 0.784 nan 8.230 nan 0.000 0.488 133 L N 7.794 129.009 121.223 -0.014 0.000 2.277 133 L HA 0.547 4.887 4.340 -0.000 0.000 0.284 133 L C -0.307 176.582 176.870 0.031 0.000 1.028 133 L CA -0.093 54.735 54.840 -0.019 0.000 0.835 133 L CB 0.779 42.848 42.059 0.017 0.000 1.215 133 L HN 0.552 nan 8.230 nan 0.000 0.425 134 I N 3.517 124.093 120.570 0.010 0.000 2.362 134 I HA 0.296 4.466 4.170 -0.000 0.000 0.289 134 I C 0.499 176.658 176.117 0.070 0.000 0.994 134 I CA -0.144 61.190 61.300 0.057 0.000 1.158 134 I CB 1.413 39.445 38.000 0.054 0.000 1.315 134 I HN 0.610 nan 8.210 nan 0.000 0.451 135 N N 3.463 122.259 118.700 0.160 0.000 2.181 135 N HA 0.088 4.828 4.740 -0.000 0.000 0.207 135 N C -0.624 175.132 175.510 0.411 0.000 1.182 135 N CA 0.220 53.395 53.050 0.208 0.000 0.893 135 N CB 1.081 39.654 38.487 0.143 0.000 1.032 135 N HN 0.588 nan 8.380 nan 0.000 0.513 136 D N 0.321 120.935 120.400 0.357 0.000 2.977 136 D HA 0.192 4.832 4.640 -0.000 0.000 0.220 136 D C 0.136 176.503 176.300 0.113 0.000 1.267 136 D CA -0.416 53.768 54.000 0.306 0.000 0.884 136 D CB 1.544 42.500 40.800 0.260 0.000 1.667 136 D HN -0.160 nan 8.370 nan 0.000 0.536 137 L N 2.157 123.347 121.223 -0.054 0.000 2.592 137 L HA 0.175 4.515 4.340 -0.000 0.000 0.227 137 L C 0.872 177.692 176.870 -0.084 0.000 1.127 137 L CA -0.160 54.592 54.840 -0.147 0.000 0.884 137 L CB -0.217 41.628 42.059 -0.357 0.000 1.065 137 L HN 0.229 nan 8.230 nan 0.000 0.457 138 N N 1.411 120.093 118.700 -0.029 0.000 2.492 138 N HA 0.021 4.760 4.740 -0.000 0.000 0.262 138 N C -1.642 173.864 175.510 -0.008 0.000 1.202 138 N CA -0.842 52.200 53.050 -0.013 0.000 0.926 138 N CB 1.106 39.603 38.487 0.016 0.000 1.078 138 N HN -0.145 nan 8.380 nan 0.000 0.454 139 P HA -0.209 nan 4.420 nan 0.000 0.216 139 P C 1.367 178.668 177.300 0.001 0.000 1.154 139 P CA 1.397 64.489 63.100 -0.013 0.000 0.865 139 P CB 0.297 31.992 31.700 -0.009 0.000 0.789 140 Q N -0.848 118.958 119.800 0.010 0.000 2.135 140 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 140 Q C 2.007 178.023 176.000 0.027 0.000 0.981 140 Q CA 1.929 57.743 55.803 0.018 0.000 0.856 140 Q CB -0.565 28.184 28.738 0.018 0.000 0.902 140 Q HN 0.146 nan 8.270 nan 0.000 0.425 141 A N -0.705 122.136 122.820 0.035 0.000 1.930 141 A HA -0.054 4.266 4.320 -0.000 0.000 0.215 141 A C 2.146 179.763 177.584 0.056 0.000 1.176 141 A CA 1.017 53.089 52.037 0.058 0.000 0.632 141 A CB -0.418 18.632 19.000 0.084 0.000 0.819 141 A HN 0.273 nan 8.150 nan 0.000 0.445 142 V N 0.297 120.229 119.914 0.029 0.000 2.295 142 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 142 V C 2.407 178.508 176.094 0.013 0.000 1.049 142 V CA 2.346 64.652 62.300 0.010 0.000 1.024 142 V CB -0.886 30.918 31.823 -0.031 0.000 0.648 142 V HN 0.623 nan 8.190 nan 0.000 0.447 143 E N -0.110 120.097 120.200 0.012 0.000 2.058 143 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 143 E C 2.448 179.073 176.600 0.043 0.000 0.997 143 E CA 1.550 57.962 56.400 0.021 0.000 0.801 143 E CB -0.254 29.457 29.700 0.019 0.000 0.746 143 E HN 0.446 nan 8.360 nan 0.000 0.450 144 R N 0.606 121.135 120.500 0.049 0.000 2.105 144 R HA -0.188 4.152 4.340 -0.000 0.000 0.239 144 R C 2.189 178.534 176.300 0.076 0.000 1.135 144 R CA 1.430 57.567 56.100 0.062 0.000 0.967 144 R CB -0.197 30.142 30.300 0.066 0.000 0.861 144 R HN 0.157 nan 8.270 nan 0.000 0.442 145 A N 0.833 123.701 122.820 0.078 0.000 1.898 145 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 145 A C 2.145 179.788 177.584 0.097 0.000 1.181 145 A CA 1.309 53.399 52.037 0.089 0.000 0.620 145 A CB -0.403 18.648 19.000 0.084 0.000 0.819 145 A HN 0.371 nan 8.150 nan 0.000 0.442 146 I N -0.300 120.328 120.570 0.096 0.000 2.394 146 I HA -0.192 3.978 4.170 -0.000 0.000 0.251 146 I C 1.419 177.609 176.117 0.122 0.000 1.136 146 I CA 1.255 62.640 61.300 0.141 0.000 1.425 146 I CB -0.270 37.802 38.000 0.121 0.000 1.079 146 I HN 0.192 nan 8.210 nan 0.000 0.425 147 D N 0.509 120.963 120.400 0.089 0.000 2.317 147 D HA -0.035 4.605 4.640 -0.000 0.000 0.211 147 D C 1.649 177.993 176.300 0.072 0.000 0.966 147 D CA 0.722 54.767 54.000 0.075 0.000 0.876 147 D CB 0.109 40.946 40.800 0.062 0.000 0.927 147 D HN 0.178 nan 8.370 nan 0.000 0.519 148 R N 0.078 120.626 120.500 0.080 0.000 2.546 148 R HA 0.213 4.553 4.340 -0.000 0.000 0.320 148 R C 0.141 176.491 176.300 0.082 0.000 1.021 148 R CA -0.346 55.801 56.100 0.079 0.000 1.088 148 R CB 0.400 30.752 30.300 0.087 0.000 1.278 148 R HN 0.167 nan 8.270 nan 0.000 0.557 149 L N 2.371 123.641 121.223 0.080 0.000 2.678 149 L HA -0.131 4.209 4.340 -0.000 0.000 0.285 149 L C 0.789 177.701 176.870 0.071 0.000 1.233 149 L CA 1.074 55.955 54.840 0.069 0.000 0.920 149 L CB -0.060 42.030 42.059 0.052 0.000 1.176 149 L HN -0.042 nan 8.230 nan 0.000 0.495 150 R N 1.604 122.159 120.500 0.093 0.000 2.782 150 R HA 0.390 4.730 4.340 -0.000 0.000 0.258 150 R C -0.275 176.100 176.300 0.125 0.000 1.055 150 R CA -0.745 55.437 56.100 0.137 0.000 1.065 150 R CB 1.799 32.255 30.300 0.260 0.000 1.172 150 R HN 0.609 nan 8.270 nan 0.000 0.510 151 S N 0.486 116.259 115.700 0.121 0.000 2.505 151 S HA -0.003 4.467 4.470 -0.000 0.000 0.276 151 S C 0.855 175.553 174.600 0.163 0.000 1.274 151 S CA -0.445 57.805 58.200 0.085 0.000 1.053 151 S CB 0.656 63.876 63.200 0.033 0.000 0.919 151 S HN 0.604 nan 8.310 nan 0.000 0.490 152 N N 3.617 122.379 118.700 0.102 0.000 2.289 152 N HA -0.145 4.595 4.740 -0.000 0.000 0.184 152 N C 1.961 177.563 175.510 0.153 0.000 1.016 152 N CA 1.736 54.866 53.050 0.133 0.000 0.872 152 N CB -0.327 38.172 38.487 0.020 0.000 0.973 152 N HN 0.744 nan 8.380 nan 0.000 0.433 153 S N -0.070 115.658 115.700 0.046 0.000 2.407 153 S HA -0.216 4.254 4.470 -0.000 0.000 0.235 153 S C 1.601 176.195 174.600 -0.010 0.000 1.036 153 S CA 1.276 59.462 58.200 -0.023 0.000 1.013 153 S CB -0.576 62.567 63.200 -0.095 0.000 0.820 153 S HN 0.450 nan 8.310 nan 0.000 0.476 154 E N 0.053 120.258 120.200 0.009 0.000 2.268 154 E HA -0.011 4.339 4.350 -0.000 0.000 0.195 154 E C 0.752 177.191 176.600 -0.268 0.000 0.995 154 E CA 1.016 57.324 56.400 -0.154 0.000 0.836 154 E CB -0.210 29.340 29.700 -0.249 0.000 0.763 154 E HN 0.731 nan 8.360 nan 0.000 0.491 155 F N -0.765 119.157 119.950 -0.046 0.000 2.664 155 F HA 0.062 4.589 4.527 -0.000 0.000 0.303 155 F C 1.635 177.437 175.800 0.003 0.000 1.092 155 F CA -0.176 57.801 58.000 -0.038 0.000 1.305 155 F CB 0.419 39.363 39.000 -0.093 0.000 1.054 155 F HN -0.147 nan 8.300 nan 0.000 0.565 156 V N 1.413 121.420 119.914 0.154 0.000 2.295 156 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 156 V C -0.273 175.985 176.094 0.274 0.000 1.049 156 V CA 1.958 64.371 62.300 0.189 0.000 1.024 156 V CB -1.456 30.471 31.823 0.172 0.000 0.648 156 V HN 0.168 nan 8.190 nan 0.000 0.447 157 P HA -0.168 nan 4.420 nan 0.000 0.215 157 P C 1.916 179.316 177.300 0.167 0.000 1.153 157 P CA 1.239 64.526 63.100 0.312 0.000 0.853 157 P CB -0.072 31.706 31.700 0.130 0.000 0.788 158 L N -0.581 120.713 121.223 0.119 0.000 2.046 158 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 158 L C 2.510 179.441 176.870 0.103 0.000 1.077 158 L CA 1.814 56.718 54.840 0.108 0.000 0.747 158 L CB -1.461 40.688 42.059 0.150 0.000 0.896 158 L HN 0.061 nan 8.230 nan 0.000 0.432 159 C N -1.654 117.719 119.300 0.121 0.000 2.436 159 C HA -0.148 4.312 4.460 -0.000 0.000 0.277 159 C C 2.708 177.723 174.990 0.042 0.000 1.241 159 C CA 1.183 60.257 59.018 0.093 0.000 1.721 159 C CB -0.878 26.928 27.740 0.109 0.000 2.043 159 C HN 0.469 nan 8.230 nan 0.000 0.472 160 V N 0.852 120.779 119.914 0.022 0.000 2.332 160 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 160 V C 2.823 178.900 176.094 -0.029 0.000 1.055 160 V CA 2.494 64.753 62.300 -0.069 0.000 1.038 160 V CB -1.028 30.643 31.823 -0.254 0.000 0.651 160 V HN 0.772 nan 8.190 nan 0.000 0.450 161 S N -0.030 115.663 115.700 -0.013 0.000 2.382 161 S HA -0.181 4.289 4.470 -0.000 0.000 0.228 161 S C 2.036 176.607 174.600 -0.050 0.000 1.027 161 S CA 1.737 59.906 58.200 -0.053 0.000 0.991 161 S CB -0.239 62.946 63.200 -0.024 0.000 0.823 161 S HN 0.613 nan 8.310 nan 0.000 0.469 162 A N 1.089 123.910 122.820 0.000 0.000 1.898 162 A HA 0.181 4.501 4.320 -0.000 0.000 0.214 162 A C 2.136 179.723 177.584 0.005 0.000 1.183 162 A CA 1.281 53.331 52.037 0.021 0.000 0.622 162 A CB -0.865 18.170 19.000 0.058 0.000 0.824 162 A HN 0.555 nan 8.150 nan 0.000 0.444 163 L N 0.072 121.286 121.223 -0.014 0.000 2.017 163 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 163 L C 2.670 179.506 176.870 -0.057 0.000 1.073 163 L CA 2.266 57.068 54.840 -0.062 0.000 0.745 163 L CB -0.795 41.202 42.059 -0.105 0.000 0.894 163 L HN 0.344 nan 8.230 nan 0.000 0.432 164 A N -0.574 122.262 122.820 0.027 0.000 1.908 164 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 164 A C 2.496 180.110 177.584 0.050 0.000 1.181 164 A CA 1.689 53.799 52.037 0.122 0.000 0.627 164 A CB -0.687 18.365 19.000 0.088 0.000 0.818 164 A HN 0.448 nan 8.150 nan 0.000 0.445 165 R N -0.147 120.335 120.500 -0.030 0.000 2.094 165 R HA -0.183 4.157 4.340 -0.000 0.000 0.239 165 R C 2.358 178.726 176.300 0.113 0.000 1.137 165 R CA 1.916 58.046 56.100 0.050 0.000 0.943 165 R CB -0.833 29.499 30.300 0.054 0.000 0.850 165 R HN 0.477 nan 8.270 nan 0.000 0.433 166 A N 0.851 123.702 122.820 0.051 0.000 1.873 166 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 166 A C 2.324 179.929 177.584 0.035 0.000 1.186 166 A CA 1.397 53.467 52.037 0.054 0.000 0.616 166 A CB -0.409 18.584 19.000 -0.011 0.000 0.823 166 A HN 0.347 nan 8.150 nan 0.000 0.442 167 R N -0.532 119.867 120.500 -0.167 0.000 2.081 167 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 167 R C 2.500 178.849 176.300 0.083 0.000 1.131 167 R CA 1.190 57.057 56.100 -0.388 0.000 0.960 167 R CB -0.469 29.257 30.300 -0.957 0.000 0.856 167 R HN 0.512 nan 8.270 nan 0.000 0.436 168 A N 1.417 124.277 122.820 0.066 0.000 1.877 168 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 168 A C 1.659 179.436 177.584 0.321 0.000 1.186 168 A CA 1.783 53.836 52.037 0.027 0.000 0.620 168 A CB -0.446 18.335 19.000 -0.366 0.000 0.822 168 A HN 0.182 nan 8.150 nan 0.000 0.443 169 D N -1.682 118.969 120.400 0.419 0.000 2.144 169 D HA -0.176 4.464 4.640 -0.000 0.000 0.199 169 D C 1.612 178.176 176.300 0.440 0.000 0.984 169 D CA 1.187 55.476 54.000 0.483 0.000 0.834 169 D CB -0.323 40.699 40.800 0.369 0.000 0.955 169 D HN 0.734 nan 8.370 nan 0.000 0.465 170 W N 1.502 122.946 121.300 0.239 0.000 2.354 170 W HA -0.140 4.520 4.660 -0.000 0.000 0.315 170 W C 2.248 178.908 176.519 0.234 0.000 1.206 170 W CA 1.140 58.631 57.345 0.245 0.000 1.290 170 W CB -0.421 29.233 29.460 0.324 0.000 1.152 170 W HN -0.094 nan 8.180 nan 0.000 0.489 171 L N -0.927 120.669 121.223 0.623 0.000 1.989 171 L HA -0.274 4.066 4.340 -0.000 0.000 0.211 171 L C 2.412 179.371 176.870 0.148 0.000 1.071 171 L CA 1.874 56.936 54.840 0.370 0.000 0.749 171 L CB -1.478 40.806 42.059 0.375 0.000 0.890 171 L HN 0.079 nan 8.230 nan 0.000 0.431 172 Y N 0.722 121.114 120.300 0.153 0.000 2.089 172 Y HA -0.188 4.362 4.550 -0.000 0.000 0.282 172 Y C 2.367 178.274 175.900 0.011 0.000 1.139 172 Y CA 1.754 59.926 58.100 0.121 0.000 1.123 172 Y CB -0.717 37.917 38.460 0.290 0.000 0.980 172 Y HN 0.062 nan 8.280 nan 0.000 0.493 173 G N 0.608 109.486 108.800 0.130 0.000 2.433 173 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 173 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 173 G C 1.576 176.341 174.900 -0.226 0.000 1.186 173 G CA 1.176 46.260 45.100 -0.027 0.000 0.779 173 G HN 0.383 nan 8.290 nan 0.000 0.543 174 I N 1.637 121.977 120.570 -0.384 0.000 2.226 174 I HA -0.129 4.041 4.170 -0.000 0.000 0.245 174 I C 2.335 178.129 176.117 -0.538 0.000 1.100 174 I CA 0.989 61.940 61.300 -0.581 0.000 1.374 174 I CB -0.959 36.396 38.000 -1.074 0.000 1.057 174 I HN 0.161 nan 8.210 nan 0.000 0.413 175 N N 0.170 118.592 118.700 -0.464 0.000 2.173 175 N HA -0.071 4.669 4.740 -0.000 0.000 0.184 175 N C 1.845 177.151 175.510 -0.340 0.000 1.025 175 N CA 1.063 53.863 53.050 -0.416 0.000 0.852 175 N CB -0.072 38.201 38.487 -0.357 0.000 0.998 175 N HN 0.215 nan 8.380 nan 0.000 0.427 176 M N 0.796 120.195 119.600 -0.335 0.000 2.175 176 M HA -0.046 4.434 4.480 -0.000 0.000 0.264 176 M C 1.913 178.174 176.300 -0.065 0.000 1.063 176 M CA 1.134 56.308 55.300 -0.209 0.000 1.119 176 M CB -1.401 30.920 32.600 -0.464 0.000 1.377 176 M HN 0.052 nan 8.290 nan 0.000 0.415 177 T N 0.329 114.786 114.554 -0.162 0.000 2.708 177 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 177 T C 2.023 176.645 174.700 -0.130 0.000 1.037 177 T CA 1.149 63.200 62.100 -0.082 0.000 1.146 177 T CB -0.153 68.658 68.868 -0.094 0.000 0.865 177 T HN 0.361 nan 8.240 nan 0.000 0.435 178 R N 0.773 121.030 120.500 -0.404 0.000 2.073 178 R HA -0.011 4.329 4.340 -0.000 0.000 0.234 178 R C 2.832 178.990 176.300 -0.236 0.000 1.134 178 R CA 1.353 57.118 56.100 -0.558 0.000 0.952 178 R CB -0.555 29.236 30.300 -0.848 0.000 0.850 178 R HN 0.375 nan 8.270 nan 0.000 0.433 179 A N 0.420 123.102 122.820 -0.229 0.000 1.858 179 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 179 A C 1.908 179.308 177.584 -0.307 0.000 1.190 179 A CA 1.330 53.204 52.037 -0.272 0.000 0.617 179 A CB -0.763 18.039 19.000 -0.331 0.000 0.827 179 A HN 0.327 nan 8.150 nan 0.000 0.443 180 Y N 0.369 120.603 120.300 -0.109 0.000 2.286 180 Y HA -0.095 4.455 4.550 -0.000 0.000 0.293 180 Y C 2.957 178.792 175.900 -0.109 0.000 1.124 180 Y CA 1.591 59.629 58.100 -0.102 0.000 1.178 180 Y CB -0.772 37.645 38.460 -0.072 0.000 1.010 180 Y HN 0.270 nan 8.280 nan 0.000 0.536 181 T N 0.659 115.282 114.554 0.115 0.000 2.684 181 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 181 T C 1.960 176.707 174.700 0.079 0.000 1.036 181 T CA 1.858 64.057 62.100 0.164 0.000 1.148 181 T CB -0.500 68.587 68.868 0.365 0.000 0.863 181 T HN 0.243 nan 8.240 nan 0.000 0.436 182 I N 0.600 121.203 120.570 0.055 0.000 2.179 182 I HA -0.135 4.035 4.170 -0.000 0.000 0.242 182 I C 2.316 178.384 176.117 -0.082 0.000 1.088 182 I CA 1.186 62.493 61.300 0.013 0.000 1.357 182 I CB -0.454 37.551 38.000 0.008 0.000 1.051 182 I HN 0.184 nan 8.210 nan 0.000 0.409 183 L N 0.497 121.613 121.223 -0.177 0.000 2.042 183 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 183 L C 2.702 179.368 176.870 -0.340 0.000 1.076 183 L CA 1.709 56.416 54.840 -0.221 0.000 0.749 183 L CB -1.214 40.689 42.059 -0.260 0.000 0.893 183 L HN 0.345 nan 8.230 nan 0.000 0.432 184 G N -0.445 108.044 108.800 -0.519 0.000 2.418 184 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 184 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 184 G C 1.722 176.558 174.900 -0.106 0.000 1.158 184 G CA 0.288 45.046 45.100 -0.570 0.000 0.771 184 G HN 0.200 nan 8.290 nan 0.000 0.545 185 R N 0.419 120.901 120.500 -0.030 0.000 2.115 185 R HA -0.015 4.325 4.340 -0.000 0.000 0.230 185 R C 1.992 178.298 176.300 0.009 0.000 1.111 185 R CA 0.854 56.961 56.100 0.012 0.000 0.976 185 R CB -0.538 29.765 30.300 0.004 0.000 0.870 185 R HN 0.257 nan 8.270 nan 0.000 0.445 186 N N 0.826 119.521 118.700 -0.008 0.000 2.520 186 N HA -0.079 4.661 4.740 -0.000 0.000 0.185 186 N C 0.885 176.421 175.510 0.045 0.000 1.068 186 N CA 0.913 53.971 53.050 0.012 0.000 0.911 186 N CB 0.163 38.653 38.487 0.004 0.000 0.961 186 N HN 0.210 nan 8.380 nan 0.000 0.446 187 A N -1.083 121.775 122.820 0.065 0.000 2.503 187 A HA 0.556 4.876 4.320 -0.000 0.000 0.263 187 A C 1.300 178.967 177.584 0.138 0.000 1.258 187 A CA 0.315 52.429 52.037 0.129 0.000 0.936 187 A CB 0.020 19.166 19.000 0.242 0.000 1.070 187 A HN 0.185 nan 8.150 nan 0.000 0.522 188 G N -1.532 107.330 108.800 0.105 0.000 2.157 188 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.239 188 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.239 188 G C -0.045 174.938 174.900 0.138 0.000 0.982 188 G CA 0.317 45.478 45.100 0.101 0.000 0.650 188 G HN 0.854 nan 8.290 nan 0.000 0.527 189 Y N 1.157 121.472 120.300 0.025 0.000 2.336 189 Y HA 0.579 5.129 4.550 -0.000 0.000 0.335 189 Y C 1.285 177.188 175.900 0.006 0.000 1.046 189 Y CA 0.200 58.318 58.100 0.031 0.000 1.198 189 Y CB 1.311 39.792 38.460 0.036 0.000 1.182 189 Y HN 0.161 nan 8.280 nan 0.000 0.502 190 Q N 3.407 122.874 119.800 -0.556 0.000 2.376 190 Q HA 0.192 4.532 4.340 -0.000 0.000 0.206 190 Q C 0.950 176.665 176.000 -0.475 0.000 0.921 190 Q CA 0.400 55.970 55.803 -0.390 0.000 0.911 190 Q CB 0.255 28.834 28.738 -0.264 0.000 1.032 190 Q HN 1.007 nan 8.270 nan 0.000 0.510 191 G N -0.152 108.099 108.800 -0.916 0.000 2.516 191 G HA2 0.327 4.287 3.960 -0.000 0.000 0.276 191 G HA3 0.327 4.287 3.960 -0.000 0.000 0.276 191 G C -0.794 174.045 174.900 -0.102 0.000 1.390 191 G CA -0.493 44.316 45.100 -0.485 0.000 1.050 191 G HN 0.080 nan 8.290 nan 0.000 0.519 192 V N 0.234 120.201 119.914 0.088 0.000 2.398 192 V HA 0.304 4.424 4.120 -0.000 0.000 0.286 192 V C 0.030 176.354 176.094 0.382 0.000 1.026 192 V CA -0.393 62.026 62.300 0.199 0.000 0.868 192 V CB 1.438 33.336 31.823 0.124 0.000 0.982 192 V HN 0.455 nan 8.190 nan 0.000 0.443 193 L N 5.484 126.948 121.223 0.402 0.000 2.352 193 L HA 0.330 4.670 4.340 -0.000 0.000 0.272 193 L C 0.759 177.813 176.870 0.308 0.000 1.109 193 L CA -0.034 55.058 54.840 0.420 0.000 0.952 193 L CB 0.729 42.929 42.059 0.234 0.000 1.314 193 L HN 0.817 nan 8.230 nan 0.000 0.427 194 S N 1.807 117.712 115.700 0.342 0.000 2.603 194 S HA 0.694 5.164 4.470 -0.000 0.000 0.268 194 S C -0.182 174.499 174.600 0.136 0.000 1.317 194 S CA -0.705 57.619 58.200 0.207 0.000 1.012 194 S CB 2.176 65.486 63.200 0.183 0.000 0.926 194 S HN 0.177 nan 8.310 nan 0.000 0.539 195 V N 1.030 120.967 119.914 0.038 0.000 2.777 195 V HA 0.842 4.961 4.120 -0.000 0.000 0.306 195 V C 0.343 176.445 176.094 0.012 0.000 1.112 195 V CA -0.062 62.217 62.300 -0.034 0.000 0.917 195 V CB 1.753 33.465 31.823 -0.185 0.000 1.018 195 V HN 1.356 nan 8.190 nan 0.000 0.426 196 G N 2.357 111.229 108.800 0.120 0.000 2.646 196 G HA2 0.493 4.453 3.960 -0.000 0.000 0.291 196 G HA3 0.493 4.453 3.960 -0.000 0.000 0.291 196 G C -0.012 175.016 174.900 0.213 0.000 1.445 196 G CA -0.403 44.846 45.100 0.248 0.000 0.814 196 G HN 0.655 nan 8.290 nan 0.000 0.495 197 R N -0.505 120.044 120.500 0.082 0.000 2.096 197 R HA -0.104 4.236 4.340 -0.000 0.000 0.240 197 R C 1.907 178.108 176.300 -0.165 0.000 1.139 197 R CA 2.505 58.448 56.100 -0.262 0.000 0.952 197 R CB -0.273 29.743 30.300 -0.474 0.000 0.854 197 R HN 0.328 nan 8.270 nan 0.000 0.436 198 V N 1.240 121.112 119.914 -0.069 0.000 2.374 198 V HA -0.180 3.940 4.120 -0.000 0.000 0.241 198 V C 2.424 178.499 176.094 -0.032 0.000 1.034 198 V CA 1.687 63.953 62.300 -0.056 0.000 1.037 198 V CB -0.460 31.349 31.823 -0.024 0.000 0.682 198 V HN 0.523 nan 8.190 nan 0.000 0.463 199 Q N 0.324 120.130 119.800 0.010 0.000 2.170 199 Q HA -0.178 4.162 4.340 -0.000 0.000 0.203 199 Q C 1.913 177.922 176.000 0.015 0.000 0.976 199 Q CA 2.252 58.071 55.803 0.027 0.000 0.858 199 Q CB -0.795 27.986 28.738 0.072 0.000 0.907 199 Q HN 0.563 nan 8.270 nan 0.000 0.433 200 T N 1.762 116.319 114.554 0.005 0.000 2.770 200 T HA -0.009 4.341 4.350 -0.000 0.000 0.258 200 T C -0.885 173.793 174.700 -0.036 0.000 1.039 200 T CA 1.068 63.157 62.100 -0.019 0.000 1.143 200 T CB -1.063 67.788 68.868 -0.029 0.000 0.866 200 T HN 0.272 nan 8.240 nan 0.000 0.428 201 P HA -0.038 nan 4.420 nan 0.000 0.217 201 P C 1.581 178.822 177.300 -0.098 0.000 1.148 201 P CA 0.554 63.612 63.100 -0.070 0.000 0.828 201 P CB -0.247 31.392 31.700 -0.100 0.000 0.783 202 V N -0.266 119.583 119.914 -0.108 0.000 2.295 202 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 202 V C 2.375 178.378 176.094 -0.152 0.000 1.049 202 V CA 1.697 63.904 62.300 -0.156 0.000 1.024 202 V CB -1.330 30.420 31.823 -0.121 0.000 0.648 202 V HN 0.073 nan 8.190 nan 0.000 0.447 203 L N 1.578 122.751 121.223 -0.083 0.000 2.129 203 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 203 L C 2.237 179.046 176.870 -0.102 0.000 1.087 203 L CA 2.447 57.238 54.840 -0.081 0.000 0.757 203 L CB -1.352 40.673 42.059 -0.055 0.000 0.896 203 L HN 0.267 nan 8.230 nan 0.000 0.434 204 G N -0.439 108.345 108.800 -0.026 0.000 2.418 204 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 204 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 204 G C 1.570 176.403 174.900 -0.113 0.000 1.158 204 G CA 0.983 46.110 45.100 0.045 0.000 0.771 204 G HN 0.455 nan 8.290 nan 0.000 0.545 205 L N 0.204 121.332 121.223 -0.158 0.000 1.971 205 L HA -0.169 4.171 4.340 -0.000 0.000 0.215 205 L C 3.009 179.854 176.870 -0.041 0.000 1.072 205 L CA 1.080 55.803 54.840 -0.196 0.000 0.758 205 L CB -0.876 40.892 42.059 -0.485 0.000 0.889 205 L HN 0.096 nan 8.230 nan 0.000 0.433 206 V N -0.666 119.176 119.914 -0.121 0.000 2.332 206 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 206 V C 2.424 178.478 176.094 -0.066 0.000 1.055 206 V CA 1.595 63.912 62.300 0.028 0.000 1.038 206 V CB -0.311 31.489 31.823 -0.038 0.000 0.651 206 V HN 0.204 nan 8.190 nan 0.000 0.450 207 V N -0.289 119.471 119.914 -0.256 0.000 2.261 207 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 207 V C 2.587 178.428 176.094 -0.421 0.000 1.047 207 V CA 2.252 64.275 62.300 -0.461 0.000 1.015 207 V CB -0.758 30.501 31.823 -0.940 0.000 0.642 207 V HN 0.446 nan 8.190 nan 0.000 0.446 208 R N -0.388 119.872 120.500 -0.400 0.000 2.096 208 R HA -0.252 4.088 4.340 -0.000 0.000 0.240 208 R C 2.503 178.742 176.300 -0.103 0.000 1.139 208 R CA 2.078 58.058 56.100 -0.200 0.000 0.952 208 R CB -0.414 29.848 30.300 -0.063 0.000 0.854 208 R HN 0.309 nan 8.270 nan 0.000 0.436 209 R N 1.123 121.595 120.500 -0.046 0.000 2.081 209 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 209 R C 1.327 177.529 176.300 -0.163 0.000 1.131 209 R CA 1.958 58.007 56.100 -0.084 0.000 0.960 209 R CB -0.405 29.863 30.300 -0.054 0.000 0.856 209 R HN 0.170 nan 8.270 nan 0.000 0.436 210 D N 0.118 120.441 120.400 -0.129 0.000 2.144 210 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 210 D C 1.383 177.619 176.300 -0.107 0.000 0.978 210 D CA 1.319 55.240 54.000 -0.132 0.000 0.833 210 D CB -0.058 40.703 40.800 -0.066 0.000 0.961 210 D HN 0.473 nan 8.370 nan 0.000 0.470 211 E N 0.233 120.371 120.200 -0.103 0.000 2.371 211 E HA -0.056 4.294 4.350 -0.000 0.000 0.194 211 E C 1.706 178.279 176.600 -0.046 0.000 1.012 211 E CA 0.084 56.450 56.400 -0.057 0.000 0.860 211 E CB 0.178 29.850 29.700 -0.047 0.000 0.811 211 E HN 0.338 nan 8.360 nan 0.000 0.502 212 E N 0.707 120.860 120.200 -0.078 0.000 2.150 212 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 212 E C 1.834 178.402 176.600 -0.053 0.000 0.985 212 E CA 0.705 57.057 56.400 -0.080 0.000 0.814 212 E CB 0.180 29.808 29.700 -0.121 0.000 0.752 212 E HN 0.242 nan 8.360 nan 0.000 0.466 213 I N 0.371 120.879 120.570 -0.103 0.000 2.339 213 I HA -0.121 4.049 4.170 -0.000 0.000 0.245 213 I C 1.419 177.521 176.117 -0.024 0.000 1.096 213 I CA 0.644 61.886 61.300 -0.098 0.000 1.408 213 I CB 0.074 37.898 38.000 -0.294 0.000 1.092 213 I HN -0.098 nan 8.210 nan 0.000 0.423 214 E N 1.448 121.634 120.200 -0.022 0.000 2.381 214 E HA -0.117 4.233 4.350 -0.000 0.000 0.198 214 E C 0.318 176.933 176.600 0.026 0.000 1.204 214 E CA 0.347 56.756 56.400 0.015 0.000 0.998 214 E CB -0.188 29.528 29.700 0.027 0.000 1.080 214 E HN 0.613 nan 8.360 nan 0.000 0.481 215 N N -1.625 117.099 118.700 0.041 0.000 2.228 215 N HA -0.095 4.644 4.740 -0.000 0.000 0.299 215 N C 0.042 175.592 175.510 0.067 0.000 0.829 215 N CA -0.482 52.597 53.050 0.047 0.000 0.772 215 N CB -0.489 38.027 38.487 0.049 0.000 2.041 215 N HN 0.040 nan 8.380 nan 0.000 1.019 216 F N 5.293 125.218 119.950 -0.042 0.000 2.514 216 F HA 0.199 4.726 4.527 -0.000 0.000 0.399 216 F C 0.320 176.097 175.800 -0.037 0.000 1.011 216 F CA -0.902 57.072 58.000 -0.043 0.000 1.109 216 F CB 0.137 39.102 39.000 -0.057 0.000 0.980 216 F HN 0.094 nan 8.300 nan 0.000 0.538 217 V N 4.540 124.105 119.914 -0.582 0.000 2.583 217 V HA 0.712 4.832 4.120 -0.000 0.000 0.287 217 V C 0.583 176.181 176.094 -0.826 0.000 1.051 217 V CA -0.870 61.120 62.300 -0.518 0.000 1.010 217 V CB 0.288 31.942 31.823 -0.281 0.000 0.988 217 V HN 1.047 nan 8.190 nan 0.000 0.478 218 A N 4.637 127.172 122.820 -0.474 0.000 2.498 218 A HA 0.473 4.793 4.320 -0.000 0.000 0.239 218 A C 0.360 177.799 177.584 -0.242 0.000 1.068 218 A CA -0.174 51.661 52.037 -0.337 0.000 0.766 218 A CB 0.082 18.999 19.000 -0.139 0.000 1.003 218 A HN 0.864 nan 8.150 nan 0.000 0.497 219 K N 2.098 122.410 120.400 -0.147 0.000 2.324 219 K HA 0.299 4.619 4.320 -0.000 0.000 0.253 219 K C -1.482 175.140 176.600 0.036 0.000 0.932 219 K CA -0.740 55.514 56.287 -0.055 0.000 0.799 219 K CB 1.953 34.428 32.500 -0.040 0.000 1.154 219 K HN 0.678 nan 8.250 nan 0.000 0.425 220 D N 3.347 123.741 120.400 -0.010 0.000 2.312 220 D HA 0.296 4.936 4.640 -0.000 0.000 0.252 220 D C -0.071 176.072 176.300 -0.262 0.000 1.150 220 D CA 0.160 54.078 54.000 -0.138 0.000 0.870 220 D CB 0.432 41.139 40.800 -0.155 0.000 1.153 220 D HN 0.320 nan 8.370 nan 0.000 0.457 221 F N 0.049 119.593 119.950 -0.677 0.000 2.629 221 F HA 0.771 5.298 4.527 -0.000 0.000 0.316 221 F C -1.563 173.723 175.800 -0.858 0.000 1.081 221 F CA -1.248 56.351 58.000 -0.669 0.000 0.954 221 F CB 1.252 40.121 39.000 -0.218 0.000 1.337 221 F HN 0.018 nan 8.300 nan 0.000 0.474 222 F N 0.180 120.156 119.950 0.042 0.000 2.588 222 F HA 0.612 5.139 4.527 -0.000 0.000 0.310 222 F C -0.564 175.273 175.800 0.061 0.000 1.082 222 F CA -0.798 57.181 58.000 -0.034 0.000 0.929 222 F CB 2.317 41.337 39.000 0.033 0.000 1.254 222 F HN 0.537 nan 8.300 nan 0.000 0.455 223 E N 0.618 120.944 120.200 0.209 0.000 2.312 223 E HA 0.672 5.022 4.350 -0.000 0.000 0.267 223 E C -1.591 175.152 176.600 0.237 0.000 0.894 223 E CA -1.079 55.444 56.400 0.205 0.000 0.773 223 E CB 3.177 32.947 29.700 0.117 0.000 1.241 223 E HN 0.301 nan 8.360 nan 0.000 0.432 224 V N 2.662 122.764 119.914 0.314 0.000 2.347 224 V HA 0.262 4.382 4.120 -0.000 0.000 0.280 224 V C -0.285 175.993 176.094 0.307 0.000 1.021 224 V CA -0.509 61.979 62.300 0.313 0.000 0.847 224 V CB 1.154 33.200 31.823 0.372 0.000 0.990 224 V HN 0.461 nan 8.190 nan 0.000 0.444 225 K N 4.171 124.693 120.400 0.203 0.000 2.339 225 K HA 0.749 5.069 4.320 -0.000 0.000 0.264 225 K C -0.468 176.155 176.600 0.038 0.000 0.986 225 K CA -0.444 55.911 56.287 0.112 0.000 0.866 225 K CB 1.493 33.999 32.500 0.011 0.000 1.103 225 K HN 0.755 nan 8.250 nan 0.000 0.441 226 A N 4.930 127.758 122.820 0.013 0.000 2.260 226 A HA 0.319 4.639 4.320 -0.000 0.000 0.314 226 A C -0.819 176.608 177.584 -0.262 0.000 1.257 226 A CA -0.679 51.277 52.037 -0.135 0.000 0.871 226 A CB 0.306 19.081 19.000 -0.374 0.000 1.166 226 A HN 0.804 nan 8.150 nan 0.000 0.522 227 H N 3.764 122.737 119.070 -0.162 0.000 2.864 227 H HA 0.189 4.745 4.556 -0.000 0.000 0.281 227 H C -0.112 175.048 175.328 -0.281 0.000 1.093 227 H CA -0.053 55.880 56.048 -0.193 0.000 1.453 227 H CB 0.566 30.256 29.762 -0.121 0.000 1.462 227 H HN 0.416 nan 8.280 nan 0.000 0.480 228 I N 3.241 123.577 120.570 -0.389 0.000 2.577 228 I HA 0.193 4.363 4.170 -0.000 0.000 0.300 228 I C 0.540 176.490 176.117 -0.278 0.000 0.990 228 I CA -0.671 60.352 61.300 -0.462 0.000 1.283 228 I CB 1.739 39.176 38.000 -0.937 0.000 1.411 228 I HN 0.241 nan 8.210 nan 0.000 0.515 229 V N 4.212 124.043 119.914 -0.138 0.000 2.760 229 V HA 0.551 4.671 4.120 -0.000 0.000 0.309 229 V C 0.047 176.156 176.094 0.024 0.000 1.077 229 V CA -0.298 61.987 62.300 -0.026 0.000 0.910 229 V CB 2.219 34.029 31.823 -0.022 0.000 1.008 229 V HN 1.035 nan 8.190 nan 0.000 0.424 230 T N 3.927 118.531 114.554 0.083 0.000 2.874 230 T HA 0.501 4.851 4.350 -0.000 0.000 0.281 230 T C -1.882 172.842 174.700 0.039 0.000 0.994 230 T CA -1.475 60.673 62.100 0.081 0.000 1.015 230 T CB 1.240 70.170 68.868 0.104 0.000 1.028 230 T HN 0.523 nan 8.240 nan 0.000 0.523 231 P HA 0.072 nan 4.420 nan 0.000 0.221 231 P C 0.823 178.130 177.300 0.012 0.000 1.145 231 P CA 0.808 63.916 63.100 0.013 0.000 0.795 231 P CB -0.172 31.533 31.700 0.008 0.000 0.775 232 A N -0.824 122.007 122.820 0.019 0.000 2.462 232 A HA 0.101 4.421 4.320 -0.000 0.000 0.261 232 A C 0.309 177.906 177.584 0.022 0.000 1.323 232 A CA -0.046 52.001 52.037 0.015 0.000 0.913 232 A CB -0.906 18.101 19.000 0.011 0.000 1.028 232 A HN 0.042 nan 8.150 nan 0.000 0.511 233 D N 0.110 120.525 120.400 0.026 0.000 2.955 233 D HA -0.156 4.484 4.640 -0.000 0.000 0.226 233 D C -0.255 176.074 176.300 0.048 0.000 1.178 233 D CA 1.291 55.308 54.000 0.029 0.000 0.808 233 D CB -1.162 39.648 40.800 0.017 0.000 1.099 233 D HN 0.768 nan 8.370 nan 0.000 0.421 234 E N 0.559 120.802 120.200 0.072 0.000 2.194 234 E HA 0.240 4.590 4.350 -0.000 0.000 0.284 234 E C 0.557 177.266 176.600 0.183 0.000 1.035 234 E CA -0.376 56.089 56.400 0.109 0.000 0.836 234 E CB 1.024 30.783 29.700 0.099 0.000 1.070 234 E HN 0.001 nan 8.360 nan 0.000 0.401 235 R N 3.093 123.697 120.500 0.175 0.000 2.474 235 R HA 0.572 4.912 4.340 -0.000 0.000 0.295 235 R C -0.335 176.159 176.300 0.323 0.000 0.980 235 R CA -0.512 55.692 56.100 0.174 0.000 0.934 235 R CB 0.667 31.026 30.300 0.099 0.000 1.101 235 R HN 0.551 nan 8.270 nan 0.000 0.469 236 F N -2.295 117.683 119.950 0.047 0.000 2.817 236 F HA 0.531 5.058 4.527 -0.000 0.000 0.317 236 F C -1.044 174.765 175.800 0.016 0.000 1.168 236 F CA -1.143 56.882 58.000 0.040 0.000 0.911 236 F CB 1.514 40.542 39.000 0.047 0.000 1.337 236 F HN 0.413 nan 8.300 nan 0.000 0.464 237 T N 0.056 114.638 114.554 0.046 0.000 2.863 237 T HA 0.916 5.266 4.350 -0.000 0.000 0.285 237 T C -0.770 173.962 174.700 0.054 0.000 1.009 237 T CA -0.251 61.766 62.100 -0.139 0.000 0.989 237 T CB 1.518 70.276 68.868 -0.183 0.000 1.004 237 T HN 1.465 nan 8.240 nan 0.000 0.455 238 A N 2.409 125.230 122.820 0.002 0.000 2.430 238 A HA 0.884 5.203 4.320 -0.000 0.000 0.300 238 A C -0.858 176.885 177.584 0.266 0.000 1.124 238 A CA -1.128 51.024 52.037 0.191 0.000 0.766 238 A CB 1.172 20.325 19.000 0.256 0.000 1.328 238 A HN 0.920 nan 8.150 nan 0.000 0.424 239 I N 0.528 121.278 120.570 0.300 0.000 2.433 239 I HA 0.256 4.426 4.170 -0.000 0.000 0.292 239 I C -0.770 175.443 176.117 0.161 0.000 1.001 239 I CA -0.421 61.028 61.300 0.249 0.000 1.119 239 I CB 1.637 39.713 38.000 0.126 0.000 1.289 239 I HN 0.851 nan 8.210 nan 0.000 0.438 240 W N 6.854 128.006 121.300 -0.247 0.000 2.210 240 W HA 0.131 4.791 4.660 -0.000 0.000 0.330 240 W C -0.602 175.685 176.519 -0.386 0.000 1.334 240 W CA -0.340 56.502 57.345 -0.839 0.000 1.227 240 W CB 0.405 29.422 29.460 -0.738 0.000 1.178 240 W HN 0.402 nan 8.180 nan 0.000 0.560 241 Q N 7.823 127.226 119.800 -0.661 0.000 2.456 241 Q HA 0.239 4.579 4.340 -0.000 0.000 0.252 241 Q C -2.143 173.362 176.000 -0.826 0.000 1.042 241 Q CA -1.933 53.499 55.803 -0.618 0.000 0.766 241 Q CB 1.273 29.851 28.738 -0.266 0.000 1.196 241 Q HN 0.193 nan 8.270 nan 0.000 0.504 242 P HA -0.055 nan 4.420 nan 0.000 0.262 242 P C -0.515 176.617 177.300 -0.280 0.000 1.182 242 P CA 0.818 63.416 63.100 -0.838 0.000 0.761 242 P CB 0.676 31.881 31.700 -0.825 0.000 0.795 247 E N 0.932 121.159 120.200 0.045 0.000 3.566 247 E HA 0.172 4.522 4.350 -0.000 0.000 0.241 247 E C -1.626 174.953 176.600 -0.035 0.000 1.208 247 E CA 0.483 56.880 56.400 -0.005 0.000 1.773 247 E CB -0.466 29.217 29.700 -0.028 0.000 1.818 247 E HN 0.715 nan 8.360 nan 0.000 0.865 248 P HA 0.038 nan 4.420 nan 0.000 0.245 248 P C 0.948 178.102 177.300 -0.244 0.000 1.206 248 P CA 0.762 63.728 63.100 -0.223 0.000 0.781 248 P CB -0.179 31.317 31.700 -0.341 0.000 0.994 249 Y N -0.030 120.279 120.300 0.015 0.000 2.519 249 Y HA 0.083 4.633 4.550 -0.000 0.000 0.287 249 Y C 1.827 177.771 175.900 0.073 0.000 1.128 249 Y CA 0.145 58.275 58.100 0.050 0.000 1.282 249 Y CB -0.106 38.422 38.460 0.112 0.000 1.027 249 Y HN 0.033 nan 8.280 nan 0.000 0.551 250 Q N -0.031 119.860 119.800 0.152 0.000 2.237 250 Q HA 0.017 4.357 4.340 -0.000 0.000 0.219 250 Q C 0.474 176.501 176.000 0.045 0.000 0.999 250 Q CA -0.412 55.445 55.803 0.089 0.000 0.959 250 Q CB 0.793 29.547 28.738 0.028 0.000 1.173 250 Q HN 0.184 nan 8.270 nan 0.000 0.527 251 D N 0.097 120.505 120.400 0.013 0.000 2.384 251 D HA 0.011 4.651 4.640 -0.000 0.000 0.268 251 D C 0.184 176.462 176.300 -0.037 0.000 1.288 251 D CA 0.659 54.649 54.000 -0.016 0.000 1.013 251 D CB 0.609 41.377 40.800 -0.054 0.000 0.919 251 D HN 0.548 nan 8.370 nan 0.000 0.270 252 E N -1.451 118.712 120.200 -0.062 0.000 2.712 252 E HA 0.089 4.439 4.350 -0.000 0.000 0.221 252 E C 0.073 176.627 176.600 -0.076 0.000 0.943 252 E CA 0.031 56.393 56.400 -0.064 0.000 1.259 252 E CB 1.185 30.848 29.700 -0.063 0.000 1.167 252 E HN 0.077 nan 8.360 nan 0.000 0.569 253 E N -1.155 118.992 120.200 -0.089 0.000 2.603 253 E HA 0.248 4.598 4.350 -0.000 0.000 0.224 253 E C 0.815 177.362 176.600 -0.087 0.000 0.896 253 E CA 0.549 56.895 56.400 -0.091 0.000 1.224 253 E CB 1.887 31.522 29.700 -0.109 0.000 1.206 253 E HN 0.178 nan 8.360 nan 0.000 0.576 254 G N 1.100 109.849 108.800 -0.085 0.000 2.273 254 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.162 254 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.162 254 G C -0.120 174.744 174.900 -0.060 0.000 1.006 254 G CA -0.722 44.323 45.100 -0.092 0.000 0.704 254 G HN 0.030 nan 8.290 nan 0.000 0.487 255 R N 0.328 120.796 120.500 -0.053 0.000 2.421 255 R HA 0.418 4.758 4.340 -0.000 0.000 0.305 255 R C 0.111 176.469 176.300 0.096 0.000 1.039 255 R CA -0.283 55.816 56.100 -0.000 0.000 1.003 255 R CB 0.814 30.978 30.300 -0.227 0.000 0.959 255 R HN 0.232 nan 8.270 nan 0.000 0.427 256 L N 4.616 125.967 121.223 0.214 0.000 2.319 256 L HA 0.115 4.455 4.340 -0.000 0.000 0.280 256 L C 0.338 177.421 176.870 0.354 0.000 1.099 256 L CA 0.447 55.447 54.840 0.267 0.000 0.828 256 L CB 0.763 43.004 42.059 0.304 0.000 1.150 256 L HN 0.711 nan 8.230 nan 0.000 0.442 257 L N 4.025 125.451 121.223 0.337 0.000 2.515 257 L HA 0.196 4.536 4.340 -0.000 0.000 0.223 257 L C 0.623 177.776 176.870 0.472 0.000 1.079 257 L CA -0.107 54.946 54.840 0.353 0.000 0.857 257 L CB -0.124 42.079 42.059 0.239 0.000 1.050 257 L HN 0.591 nan 8.230 nan 0.000 0.476 258 H N 0.966 120.225 119.070 0.315 0.000 2.690 258 H HA 0.150 4.706 4.556 -0.000 0.000 0.289 258 H C 0.728 176.125 175.328 0.116 0.000 1.089 258 H CA -0.211 55.971 56.048 0.223 0.000 1.299 258 H CB 0.978 30.877 29.762 0.228 0.000 1.405 258 H HN 0.074 nan 8.280 nan 0.000 0.463 259 R N 4.164 124.539 120.500 -0.209 0.000 2.075 259 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 259 R C -0.923 175.118 176.300 -0.432 0.000 1.126 259 R CA 0.787 56.564 56.100 -0.537 0.000 0.963 259 R CB -0.698 29.064 30.300 -0.897 0.000 0.858 259 R HN 0.501 nan 8.270 nan 0.000 0.435 260 P HA -0.189 nan 4.420 nan 0.000 0.217 260 P C 1.171 178.345 177.300 -0.210 0.000 1.151 260 P CA 1.069 63.962 63.100 -0.345 0.000 0.849 260 P CB -0.035 31.422 31.700 -0.406 0.000 0.787 261 L N -1.292 119.809 121.223 -0.202 0.000 2.201 261 L HA -0.063 4.277 4.340 -0.000 0.000 0.212 261 L C 2.150 179.008 176.870 -0.021 0.000 1.105 261 L CA 1.462 56.244 54.840 -0.097 0.000 0.775 261 L CB -1.157 40.822 42.059 -0.134 0.000 0.913 261 L HN -0.122 nan 8.230 nan 0.000 0.440 262 A N -0.968 121.836 122.820 -0.026 0.000 1.855 262 A HA -0.148 4.172 4.320 -0.000 0.000 0.215 262 A C 2.172 179.708 177.584 -0.080 0.000 1.191 262 A CA 1.431 53.464 52.037 -0.006 0.000 0.613 262 A CB -0.507 18.488 19.000 -0.008 0.000 0.829 262 A HN 0.434 nan 8.150 nan 0.000 0.442 263 E N -0.859 119.275 120.200 -0.111 0.000 2.153 263 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 263 E C 1.810 178.361 176.600 -0.080 0.000 0.988 263 E CA 1.578 57.918 56.400 -0.100 0.000 0.811 263 E CB -0.387 29.244 29.700 -0.115 0.000 0.746 263 E HN 0.882 nan 8.360 nan 0.000 0.466 264 H N 0.678 119.657 119.070 -0.152 0.000 2.293 264 H HA -0.068 4.488 4.556 -0.000 0.000 0.300 264 H C 2.067 177.295 175.328 -0.168 0.000 1.082 264 H CA 1.836 57.798 56.048 -0.143 0.000 1.308 264 H CB -0.229 29.450 29.762 -0.139 0.000 1.375 264 H HN -0.092 nan 8.280 nan 0.000 0.495 265 V N -0.231 119.500 119.914 -0.305 0.000 2.515 265 V HA -0.188 3.932 4.120 -0.000 0.000 0.250 265 V C 2.535 178.451 176.094 -0.296 0.000 1.058 265 V CA 1.295 63.339 62.300 -0.428 0.000 1.064 265 V CB -0.336 31.063 31.823 -0.706 0.000 0.675 265 V HN 0.370 nan 8.190 nan 0.000 0.461 266 V N 0.685 120.477 119.914 -0.203 0.000 2.287 266 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 266 V C 1.798 177.806 176.094 -0.143 0.000 1.053 266 V CA 2.122 64.348 62.300 -0.124 0.000 1.027 266 V CB -0.621 31.156 31.823 -0.077 0.000 0.646 266 V HN 0.612 nan 8.190 nan 0.000 0.447 267 N N -0.316 118.280 118.700 -0.173 0.000 2.313 267 N HA 0.088 4.828 4.740 -0.000 0.000 0.207 267 N C 1.305 176.692 175.510 -0.205 0.000 1.141 267 N CA 0.301 53.254 53.050 -0.161 0.000 0.830 267 N CB 0.134 38.544 38.487 -0.128 0.000 1.008 267 N HN 0.467 nan 8.380 nan 0.000 0.481 268 R N -0.195 120.153 120.500 -0.255 0.000 2.446 268 R HA 0.290 4.630 4.340 -0.000 0.000 0.254 268 R C 1.363 177.555 176.300 -0.180 0.000 0.918 268 R CA 0.200 56.155 56.100 -0.242 0.000 1.069 268 R CB 0.610 30.702 30.300 -0.347 0.000 1.194 268 R HN 0.270 nan 8.270 nan 0.000 0.534 269 I N -2.952 117.513 120.570 -0.176 0.000 3.939 269 I HA 0.247 4.417 4.170 -0.000 0.000 0.313 269 I C 0.293 176.313 176.117 -0.162 0.000 1.274 269 I CA -0.131 61.060 61.300 -0.181 0.000 1.301 269 I CB 0.453 38.314 38.000 -0.232 0.000 1.105 269 I HN -0.283 nan 8.210 nan 0.000 0.427 270 S N 2.420 118.041 115.700 -0.132 0.000 2.498 270 S HA 0.392 4.862 4.470 -0.000 0.000 0.281 270 S C 1.252 175.794 174.600 -0.098 0.000 1.265 270 S CA 0.595 58.730 58.200 -0.108 0.000 1.071 270 S CB 0.540 63.685 63.200 -0.091 0.000 0.894 270 S HN 0.827 nan 8.310 nan 0.000 0.491 271 G N 2.465 111.209 108.800 -0.093 0.000 2.225 271 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.254 271 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.254 271 G C 0.072 174.925 174.900 -0.078 0.000 0.988 271 G CA 0.196 45.249 45.100 -0.078 0.000 0.625 271 G HN 0.617 nan 8.290 nan 0.000 0.527 272 Q N 1.881 121.624 119.800 -0.094 0.000 2.340 272 Q HA 0.531 4.871 4.340 -0.000 0.000 0.249 272 Q C -1.844 174.104 176.000 -0.088 0.000 0.957 272 Q CA -1.766 53.985 55.803 -0.088 0.000 0.882 272 Q CB 0.904 29.582 28.738 -0.101 0.000 1.235 272 Q HN 0.291 nan 8.270 nan 0.000 0.439 273 P HA 0.037 nan 4.420 nan 0.000 0.269 273 P C -1.526 175.735 177.300 -0.064 0.000 1.211 273 P CA 0.129 63.198 63.100 -0.052 0.000 0.781 273 P CB 0.476 32.158 31.700 -0.030 0.000 0.877 274 A N 2.821 125.611 122.820 -0.049 0.000 2.605 274 A HA 0.490 4.810 4.320 -0.000 0.000 0.293 274 A C -0.426 177.163 177.584 0.009 0.000 1.216 274 A CA -0.509 51.499 52.037 -0.048 0.000 0.742 274 A CB -0.235 18.706 19.000 -0.097 0.000 1.170 274 A HN 0.303 nan 8.150 nan 0.000 0.443 275 I N 1.533 122.121 120.570 0.029 0.000 2.474 275 I HA 0.182 4.352 4.170 -0.000 0.000 0.287 275 I C 0.347 176.511 176.117 0.079 0.000 1.048 275 I CA 0.025 61.355 61.300 0.049 0.000 1.383 275 I CB 1.700 39.727 38.000 0.045 0.000 1.412 275 I HN 0.328 nan 8.210 nan 0.000 0.531 276 V N 6.197 126.161 119.914 0.083 0.000 2.405 276 V HA 0.060 4.180 4.120 -0.000 0.000 0.264 276 V C 1.270 177.422 176.094 0.097 0.000 1.048 276 V CA 0.245 62.609 62.300 0.108 0.000 0.966 276 V CB 0.419 32.305 31.823 0.106 0.000 1.015 276 V HN 1.039 nan 8.190 nan 0.000 0.477 277 T N 0.924 115.542 114.554 0.107 0.000 2.896 277 T HA 0.050 4.400 4.350 -0.000 0.000 0.263 277 T C 0.745 175.501 174.700 0.092 0.000 1.050 277 T CA 0.696 62.851 62.100 0.092 0.000 1.140 277 T CB 0.135 69.058 68.868 0.092 0.000 0.877 277 T HN 0.808 nan 8.240 nan 0.000 0.457 278 S N -0.528 115.239 115.700 0.111 0.000 2.543 278 S HA 0.580 5.050 4.470 -0.000 0.000 0.274 278 S C -1.769 172.930 174.600 0.165 0.000 1.149 278 S CA -1.155 57.115 58.200 0.116 0.000 0.866 278 S CB 1.599 64.844 63.200 0.075 0.000 1.111 278 S HN 0.418 nan 8.310 nan 0.000 0.457 279 Y N 1.982 122.298 120.300 0.026 0.000 2.499 279 Y HA 0.782 5.332 4.550 -0.000 0.000 0.347 279 Y C -1.128 174.778 175.900 0.010 0.000 0.987 279 Y CA -0.589 57.520 58.100 0.015 0.000 1.044 279 Y CB 2.149 40.614 38.460 0.009 0.000 1.245 279 Y HN 0.981 nan 8.280 nan 0.000 0.461 280 N N 3.120 121.370 118.700 -0.749 0.000 2.503 280 N HA 0.189 4.929 4.740 -0.000 0.000 0.287 280 N C -2.306 172.857 175.510 -0.579 0.000 1.096 280 N CA -0.517 52.258 53.050 -0.458 0.000 0.936 280 N CB 1.416 39.768 38.487 -0.224 0.000 1.570 280 N HN 0.657 nan 8.380 nan 0.000 0.504 281 D N 1.412 121.606 120.400 -0.343 0.000 2.795 281 D HA 0.194 4.834 4.640 -0.000 0.000 0.335 281 D C -0.890 175.343 176.300 -0.111 0.000 1.262 281 D CA -0.243 53.629 54.000 -0.213 0.000 0.885 281 D CB 0.273 41.039 40.800 -0.058 0.000 1.047 281 D HN 0.236 nan 8.370 nan 0.000 0.500 282 K N 1.353 121.682 120.400 -0.118 0.000 2.349 282 K HA 0.269 4.589 4.320 -0.000 0.000 0.288 282 K C 0.262 176.816 176.600 -0.078 0.000 1.058 282 K CA -0.291 55.949 56.287 -0.079 0.000 0.953 282 K CB 1.071 33.529 32.500 -0.070 0.000 0.997 282 K HN 0.128 nan 8.250 nan 0.000 0.477 283 R N 3.173 123.640 120.500 -0.056 0.000 2.401 283 R HA 0.013 4.353 4.340 -0.000 0.000 0.299 283 R C -0.074 176.214 176.300 -0.020 0.000 1.064 283 R CA 0.103 56.173 56.100 -0.050 0.000 1.000 283 R CB 0.410 30.689 30.300 -0.034 0.000 0.973 283 R HN 0.638 nan 8.270 nan 0.000 0.438 284 E N 1.357 121.561 120.200 0.005 0.000 2.210 284 E HA 0.275 4.625 4.350 -0.000 0.000 0.266 284 E C -1.064 175.596 176.600 0.100 0.000 0.883 284 E CA -0.943 55.480 56.400 0.039 0.000 0.761 284 E CB 1.817 31.529 29.700 0.019 0.000 1.156 284 E HN 0.479 nan 8.360 nan 0.000 0.412 285 S N 2.248 117.998 115.700 0.084 0.000 2.525 285 S HA 0.275 4.745 4.470 -0.000 0.000 0.278 285 S C -0.193 174.500 174.600 0.154 0.000 1.234 285 S CA -0.811 57.456 58.200 0.111 0.000 1.058 285 S CB 1.481 64.724 63.200 0.071 0.000 0.983 285 S HN 0.659 nan 8.310 nan 0.000 0.495 286 E N 2.365 122.708 120.200 0.238 0.000 2.185 286 E HA 0.370 4.720 4.350 -0.000 0.000 0.261 286 E C -0.941 175.850 176.600 0.318 0.000 0.879 286 E CA -0.546 56.028 56.400 0.291 0.000 0.756 286 E CB 1.446 31.415 29.700 0.449 0.000 1.152 286 E HN 0.685 nan 8.360 nan 0.000 0.416 287 S N 2.030 117.795 115.700 0.108 0.000 2.576 287 S HA 0.346 4.816 4.470 -0.000 0.000 0.276 287 S C 0.112 174.458 174.600 -0.422 0.000 1.339 287 S CA -0.373 57.787 58.200 -0.066 0.000 1.039 287 S CB 1.287 64.421 63.200 -0.109 0.000 0.902 287 S HN 0.679 nan 8.310 nan 0.000 0.516 288 A N 4.098 126.465 122.820 -0.755 0.000 2.587 288 A HA 0.293 4.613 4.320 -0.000 0.000 0.233 288 A C -2.170 174.853 177.584 -0.935 0.000 1.049 288 A CA -0.687 50.530 52.037 -1.368 0.000 0.754 288 A CB -0.799 17.758 19.000 -0.739 0.000 0.977 288 A HN 0.499 nan 8.150 nan 0.000 0.509 289 P HA 0.253 nan 4.420 nan 0.000 0.270 289 P C -0.252 176.729 177.300 -0.531 0.000 1.223 289 P CA -0.167 62.578 63.100 -0.591 0.000 0.785 289 P CB 0.316 31.727 31.700 -0.483 0.000 0.923 290 L N 2.626 123.579 121.223 -0.451 0.000 2.472 290 L HA 0.268 4.608 4.340 -0.000 0.000 0.260 290 L C -1.825 174.741 176.870 -0.505 0.000 1.209 290 L CA -1.817 52.722 54.840 -0.501 0.000 0.817 290 L CB -0.371 41.365 42.059 -0.538 0.000 1.106 290 L HN 0.273 nan 8.230 nan 0.000 0.479 291 P HA -0.026 nan 4.420 nan 0.000 0.270 291 P C -0.846 176.275 177.300 -0.299 0.000 1.227 291 P CA 0.090 62.923 63.100 -0.444 0.000 0.788 291 P CB 0.267 31.771 31.700 -0.326 0.000 0.926 292 F N -0.037 119.858 119.950 -0.091 0.000 2.443 292 F HA 0.117 4.644 4.527 -0.000 0.000 0.353 292 F C 1.589 177.357 175.800 -0.052 0.000 1.101 292 F CA -0.263 57.696 58.000 -0.068 0.000 1.226 292 F CB 0.507 39.484 39.000 -0.039 0.000 1.140 292 F HN 0.273 nan 8.300 nan 0.000 0.557 293 S N 3.190 119.003 115.700 0.188 0.000 2.681 293 S HA 0.187 4.657 4.470 -0.000 0.000 0.270 293 S C 0.779 175.404 174.600 0.041 0.000 1.209 293 S CA -0.944 57.312 58.200 0.093 0.000 0.988 293 S CB 1.262 64.500 63.200 0.063 0.000 1.006 293 S HN 0.639 nan 8.310 nan 0.000 0.558 294 L N 1.711 122.918 121.223 -0.027 0.000 2.012 294 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 294 L C 2.727 179.537 176.870 -0.100 0.000 1.073 294 L CA 2.671 57.460 54.840 -0.085 0.000 0.748 294 L CB -1.653 40.341 42.059 -0.110 0.000 0.891 294 L HN 1.016 nan 8.230 nan 0.000 0.431 295 S N -0.535 115.129 115.700 -0.060 0.000 2.356 295 S HA -0.166 4.304 4.470 -0.000 0.000 0.223 295 S C 2.178 176.729 174.600 -0.082 0.000 1.032 295 S CA 1.085 59.249 58.200 -0.059 0.000 1.005 295 S CB -1.191 61.994 63.200 -0.024 0.000 0.867 295 S HN 0.515 nan 8.310 nan 0.000 0.449 296 A N 1.928 124.722 122.820 -0.043 0.000 1.917 296 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 296 A C 2.294 179.679 177.584 -0.331 0.000 1.182 296 A CA 1.856 53.881 52.037 -0.021 0.000 0.633 296 A CB -0.994 18.129 19.000 0.205 0.000 0.819 296 A HN 0.607 nan 8.150 nan 0.000 0.448 297 L N -0.495 120.376 121.223 -0.586 0.000 2.056 297 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 297 L C 2.436 179.025 176.870 -0.469 0.000 1.078 297 L CA 2.361 56.605 54.840 -0.994 0.000 0.749 297 L CB -0.768 40.867 42.059 -0.706 0.000 0.901 297 L HN 0.503 nan 8.230 nan 0.000 0.433 298 Q N -0.394 119.252 119.800 -0.257 0.000 2.061 298 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 298 Q C 2.263 178.195 176.000 -0.114 0.000 0.984 298 Q CA 2.432 58.148 55.803 -0.143 0.000 0.846 298 Q CB -0.288 28.393 28.738 -0.094 0.000 0.902 298 Q HN 0.586 nan 8.270 nan 0.000 0.421 299 I N 0.425 120.930 120.570 -0.108 0.000 2.091 299 I HA -0.305 3.865 4.170 -0.000 0.000 0.239 299 I C 2.428 178.502 176.117 -0.071 0.000 1.061 299 I CA 1.367 62.630 61.300 -0.063 0.000 1.317 299 I CB -0.263 37.717 38.000 -0.033 0.000 1.031 299 I HN 0.216 nan 8.210 nan 0.000 0.401 300 E N 1.201 121.328 120.200 -0.121 0.000 2.153 300 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 300 E C 2.010 178.548 176.600 -0.103 0.000 0.988 300 E CA 1.561 57.906 56.400 -0.091 0.000 0.811 300 E CB -0.159 29.502 29.700 -0.064 0.000 0.746 300 E HN 0.443 nan 8.360 nan 0.000 0.466 301 A N 0.476 123.232 122.820 -0.106 0.000 1.930 301 A HA 0.056 4.376 4.320 -0.000 0.000 0.217 301 A C 2.388 179.994 177.584 0.036 0.000 1.175 301 A CA 1.745 53.787 52.037 0.009 0.000 0.627 301 A CB -0.792 18.223 19.000 0.025 0.000 0.815 301 A HN 0.358 nan 8.150 nan 0.000 0.443 302 A N -0.202 122.616 122.820 -0.004 0.000 1.873 302 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 302 A C 2.111 179.693 177.584 -0.003 0.000 1.186 302 A CA 1.857 53.900 52.037 0.010 0.000 0.616 302 A CB -0.453 18.546 19.000 -0.001 0.000 0.823 302 A HN 0.489 nan 8.150 nan 0.000 0.442 303 K N -1.198 119.185 120.400 -0.028 0.000 2.152 303 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 303 K C 2.204 178.755 176.600 -0.080 0.000 1.048 303 K CA 1.420 57.685 56.287 -0.037 0.000 0.933 303 K CB -0.063 32.419 32.500 -0.030 0.000 0.721 303 K HN 0.340 nan 8.250 nan 0.000 0.447 304 R N -1.587 118.812 120.500 -0.167 0.000 2.344 304 R HA 0.079 4.419 4.340 -0.000 0.000 0.209 304 R C 0.523 176.538 176.300 -0.474 0.000 0.886 304 R CA 0.376 56.250 56.100 -0.377 0.000 1.040 304 R CB 0.594 30.541 30.300 -0.588 0.000 1.114 304 R HN 0.130 nan 8.270 nan 0.000 0.547 305 F N -1.185 118.776 119.950 0.018 0.000 2.876 305 F HA 0.340 4.867 4.527 -0.000 0.000 0.344 305 F C 0.821 176.626 175.800 0.008 0.000 1.029 305 F CA 0.273 58.282 58.000 0.016 0.000 1.154 305 F CB 0.785 39.795 39.000 0.016 0.000 1.040 305 F HN 0.076 nan 8.300 nan 0.000 0.576 306 G N 2.337 111.231 108.800 0.157 0.000 2.368 306 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.290 306 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.290 306 G C -0.569 174.380 174.900 0.083 0.000 1.098 306 G CA -0.112 45.042 45.100 0.090 0.000 1.073 306 G HN 0.262 nan 8.290 nan 0.000 0.511 307 L N 1.033 122.306 121.223 0.084 0.000 2.341 307 L HA 0.602 4.942 4.340 -0.000 0.000 0.278 307 L C 1.146 178.030 176.870 0.023 0.000 1.005 307 L CA -0.716 54.155 54.840 0.052 0.000 0.818 307 L CB 1.943 44.040 42.059 0.063 0.000 1.259 307 L HN 0.470 nan 8.230 nan 0.000 0.418 308 S N 1.411 117.116 115.700 0.008 0.000 2.566 308 S HA 0.180 4.650 4.470 -0.000 0.000 0.280 308 S C 1.281 175.874 174.600 -0.011 0.000 1.343 308 S CA -0.059 58.138 58.200 -0.004 0.000 1.036 308 S CB 1.412 64.606 63.200 -0.010 0.000 0.866 308 S HN 0.746 nan 8.310 nan 0.000 0.526 309 A N 1.747 124.556 122.820 -0.017 0.000 1.873 309 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 309 A C 2.278 179.845 177.584 -0.027 0.000 1.193 309 A CA 2.225 54.246 52.037 -0.027 0.000 0.629 309 A CB -1.438 17.546 19.000 -0.027 0.000 0.826 309 A HN 0.936 nan 8.150 nan 0.000 0.447 310 Q N 0.180 119.966 119.800 -0.022 0.000 2.096 310 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 310 Q C 1.979 177.967 176.000 -0.019 0.000 0.982 310 Q CA 2.215 58.006 55.803 -0.021 0.000 0.850 310 Q CB -0.464 28.264 28.738 -0.017 0.000 0.901 310 Q HN 0.679 nan 8.270 nan 0.000 0.422 311 N N -0.729 117.962 118.700 -0.015 0.000 2.084 311 N HA -0.127 4.613 4.740 -0.000 0.000 0.190 311 N C 1.590 177.094 175.510 -0.010 0.000 1.030 311 N CA 1.626 54.670 53.050 -0.011 0.000 0.849 311 N CB -0.163 38.321 38.487 -0.006 0.000 1.012 311 N HN 0.225 nan 8.380 nan 0.000 0.423 312 V N 1.391 121.297 119.914 -0.013 0.000 2.358 312 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 312 V C 2.484 178.562 176.094 -0.025 0.000 1.047 312 V CA 1.192 63.482 62.300 -0.017 0.000 1.035 312 V CB -0.577 31.228 31.823 -0.031 0.000 0.658 312 V HN 0.267 nan 8.190 nan 0.000 0.452 313 L N 0.357 121.558 121.223 -0.036 0.000 2.083 313 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 313 L C 2.100 178.952 176.870 -0.029 0.000 1.083 313 L CA 2.034 56.847 54.840 -0.045 0.000 0.752 313 L CB -0.873 41.155 42.059 -0.051 0.000 0.899 313 L HN 0.302 nan 8.230 nan 0.000 0.433 314 D N 0.043 120.432 120.400 -0.019 0.000 2.087 314 D HA -0.224 4.416 4.640 -0.000 0.000 0.192 314 D C 2.294 178.593 176.300 -0.002 0.000 0.993 314 D CA 2.193 56.185 54.000 -0.012 0.000 0.828 314 D CB -0.265 40.528 40.800 -0.011 0.000 0.968 314 D HN 0.451 nan 8.370 nan 0.000 0.448 315 I N 0.864 121.437 120.570 0.006 0.000 2.151 315 I HA -0.338 3.832 4.170 -0.000 0.000 0.243 315 I C 2.725 178.868 176.117 0.043 0.000 1.080 315 I CA 0.978 62.294 61.300 0.027 0.000 1.339 315 I CB -0.297 37.718 38.000 0.026 0.000 1.039 315 I HN 0.073 nan 8.210 nan 0.000 0.409 316 C N 0.059 119.375 119.300 0.026 0.000 2.425 316 C HA -0.175 4.285 4.460 -0.000 0.000 0.277 316 C C 2.856 177.881 174.990 0.059 0.000 1.280 316 C CA 0.875 59.914 59.018 0.035 0.000 1.744 316 C CB -1.095 26.633 27.740 -0.020 0.000 1.989 316 C HN 0.523 nan 8.230 nan 0.000 0.491 317 Q N 0.289 120.108 119.800 0.031 0.000 2.084 317 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 317 Q C 2.252 178.281 176.000 0.048 0.000 0.978 317 Q CA 1.418 57.257 55.803 0.059 0.000 0.844 317 Q CB -0.176 28.573 28.738 0.019 0.000 0.898 317 Q HN 0.632 nan 8.270 nan 0.000 0.426 318 K N 0.680 121.080 120.400 -0.001 0.000 2.057 318 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 318 K C 2.003 178.551 176.600 -0.087 0.000 1.050 318 K CA 0.728 56.960 56.287 -0.092 0.000 0.935 318 K CB -0.004 32.449 32.500 -0.079 0.000 0.715 318 K HN 0.106 nan 8.250 nan 0.000 0.439 319 L N -0.294 120.980 121.223 0.086 0.000 2.079 319 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 319 L C 2.330 179.295 176.870 0.159 0.000 1.081 319 L CA 1.295 56.239 54.840 0.173 0.000 0.752 319 L CB -0.416 41.761 42.059 0.198 0.000 0.896 319 L HN 0.292 nan 8.230 nan 0.000 0.433 320 Y N 0.551 120.860 120.300 0.014 0.000 2.206 320 Y HA -0.150 4.400 4.550 -0.000 0.000 0.292 320 Y C 2.416 178.311 175.900 -0.009 0.000 1.123 320 Y CA 1.541 59.654 58.100 0.021 0.000 1.142 320 Y CB 0.049 38.521 38.460 0.020 0.000 1.006 320 Y HN 0.138 nan 8.280 nan 0.000 0.518 321 E N -1.406 118.716 120.200 -0.131 0.000 2.140 321 E HA -0.032 4.318 4.350 -0.000 0.000 0.191 321 E C 1.830 178.287 176.600 -0.238 0.000 0.973 321 E CA 1.364 57.613 56.400 -0.252 0.000 0.829 321 E CB 0.141 29.769 29.700 -0.121 0.000 0.781 321 E HN 0.375 nan 8.360 nan 0.000 0.466 322 T N 0.002 114.399 114.554 -0.262 0.000 2.904 322 T HA -0.005 4.345 4.350 -0.000 0.000 0.243 322 T C 1.508 176.052 174.700 -0.261 0.000 1.024 322 T CA 0.625 62.526 62.100 -0.332 0.000 1.158 322 T CB -0.160 68.378 68.868 -0.551 0.000 0.867 322 T HN 0.151 nan 8.240 nan 0.000 0.429 323 H N 1.632 120.657 119.070 -0.076 0.000 2.544 323 H HA 0.257 4.813 4.556 -0.000 0.000 0.269 323 H C 0.566 175.836 175.328 -0.096 0.000 0.970 323 H CA 0.399 56.393 56.048 -0.090 0.000 1.219 323 H CB -0.046 29.652 29.762 -0.106 0.000 1.421 323 H HN 0.411 nan 8.280 nan 0.000 0.555 324 K N 0.511 120.910 120.400 -0.002 0.000 3.077 324 K HA -0.174 4.146 4.320 -0.000 0.000 0.264 324 K C 0.608 177.230 176.600 0.038 0.000 1.008 324 K CA 0.250 56.524 56.287 -0.022 0.000 0.740 324 K CB -1.625 30.842 32.500 -0.054 0.000 1.273 324 K HN 0.298 nan 8.250 nan 0.000 0.477 325 L N -0.182 121.085 121.223 0.072 0.000 2.463 325 L HA 0.248 4.588 4.340 -0.000 0.000 0.219 325 L C 1.359 178.373 176.870 0.242 0.000 1.088 325 L CA 0.268 55.152 54.840 0.073 0.000 0.849 325 L CB 0.056 42.054 42.059 -0.102 0.000 1.012 325 L HN 0.357 nan 8.230 nan 0.000 0.468 326 I N -3.870 116.852 120.570 0.254 0.000 3.067 326 I HA 0.518 4.688 4.170 -0.000 0.000 0.312 326 I C 0.326 176.652 176.117 0.349 0.000 1.073 326 I CA -0.715 60.740 61.300 0.257 0.000 1.016 326 I CB 1.943 40.068 38.000 0.209 0.000 1.227 326 I HN -0.153 nan 8.210 nan 0.000 0.456 327 T N -0.426 114.307 114.554 0.299 0.000 2.810 327 T HA 0.254 4.604 4.350 -0.000 0.000 0.277 327 T C -0.127 174.576 174.700 0.006 0.000 0.973 327 T CA -0.275 62.025 62.100 0.334 0.000 0.949 327 T CB 0.448 69.567 68.868 0.418 0.000 1.075 327 T HN 0.620 nan 8.240 nan 0.000 0.537 328 Y N 3.166 123.249 120.300 -0.360 0.000 2.846 328 Y HA 0.136 4.686 4.550 -0.000 0.000 0.352 328 Y C -1.485 174.094 175.900 -0.534 0.000 1.298 328 Y CA -1.594 55.985 58.100 -0.868 0.000 1.634 328 Y CB 0.539 38.708 38.460 -0.485 0.000 1.214 328 Y HN 0.441 nan 8.280 nan 0.000 0.529 329 P HA -0.013 nan 4.420 nan 0.000 0.240 329 P C 0.175 177.100 177.300 -0.625 0.000 1.190 329 P CA 0.884 63.647 63.100 -0.562 0.000 0.781 329 P CB 0.297 31.785 31.700 -0.353 0.000 0.931 330 R N 0.077 119.912 120.500 -1.109 0.000 2.547 330 R HA 0.217 4.557 4.340 -0.000 0.000 0.258 330 R C 0.803 176.772 176.300 -0.552 0.000 1.115 330 R CA -0.029 55.616 56.100 -0.759 0.000 1.152 330 R CB -0.210 29.687 30.300 -0.672 0.000 1.221 330 R HN 0.088 nan 8.270 nan 0.000 0.539 331 S N 0.935 116.382 115.700 -0.421 0.000 2.586 331 S HA 0.074 4.544 4.470 -0.000 0.000 0.274 331 S C 0.299 174.933 174.600 0.056 0.000 1.281 331 S CA -0.720 57.443 58.200 -0.062 0.000 1.035 331 S CB 1.034 64.331 63.200 0.160 0.000 0.962 331 S HN 0.391 nan 8.310 nan 0.000 0.512 332 D N 1.109 121.643 120.400 0.223 0.000 2.503 332 D HA 0.181 4.821 4.640 -0.000 0.000 0.218 332 D C 0.230 176.613 176.300 0.139 0.000 1.183 332 D CA -0.341 53.743 54.000 0.140 0.000 0.827 332 D CB -0.409 40.466 40.800 0.124 0.000 1.034 332 D HN 0.360 nan 8.370 nan 0.000 0.510 333 C N 0.878 120.275 119.300 0.161 0.000 2.466 333 C HA 0.496 4.956 4.460 -0.000 0.000 0.379 333 C C 0.970 176.000 174.990 0.067 0.000 1.251 333 C CA -0.527 58.543 59.018 0.086 0.000 2.263 333 C CB 0.312 28.036 27.740 -0.026 0.000 2.511 333 C HN 0.328 nan 8.230 nan 0.000 0.573 334 R N 2.369 122.888 120.500 0.031 0.000 2.596 334 R HA 0.215 4.555 4.340 -0.000 0.000 0.369 334 R C -1.209 174.814 176.300 -0.461 0.000 1.042 334 R CA 0.040 56.025 56.100 -0.192 0.000 1.120 334 R CB 0.373 30.513 30.300 -0.266 0.000 1.353 334 R HN 0.705 nan 8.270 nan 0.000 0.564 335 Y N -0.006 120.222 120.300 -0.120 0.000 2.598 335 Y HA 0.527 5.077 4.550 -0.000 0.000 0.340 335 Y C 0.052 175.848 175.900 -0.174 0.000 1.038 335 Y CA -0.935 57.056 58.100 -0.182 0.000 1.100 335 Y CB 1.752 40.129 38.460 -0.139 0.000 1.281 335 Y HN -0.219 nan 8.280 nan 0.000 0.488 336 L N 2.772 123.926 121.223 -0.115 0.000 2.341 336 L HA 0.600 4.940 4.340 -0.000 0.000 0.267 336 L C -2.666 174.187 176.870 -0.028 0.000 1.009 336 L CA -2.387 52.332 54.840 -0.201 0.000 0.819 336 L CB 2.238 44.017 42.059 -0.467 0.000 1.323 336 L HN 0.316 nan 8.230 nan 0.000 0.425 337 P HA 0.125 nan 4.420 nan 0.000 0.275 337 P C -0.112 177.345 177.300 0.262 0.000 1.227 337 P CA -0.244 62.892 63.100 0.061 0.000 0.781 337 P CB 0.660 32.359 31.700 -0.003 0.000 0.906 338 E N 1.719 122.060 120.200 0.235 0.000 2.209 338 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 338 E C 1.508 178.255 176.600 0.245 0.000 0.993 338 E CA 1.301 57.851 56.400 0.250 0.000 0.819 338 E CB -0.032 29.743 29.700 0.125 0.000 0.745 338 E HN 0.677 nan 8.360 nan 0.000 0.477 339 E N 0.228 120.576 120.200 0.247 0.000 2.274 339 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 339 E C 1.418 178.199 176.600 0.301 0.000 0.996 339 E CA 0.936 57.478 56.400 0.236 0.000 0.840 339 E CB -0.189 29.634 29.700 0.205 0.000 0.772 339 E HN 0.331 nan 8.360 nan 0.000 0.491 340 H N -0.370 118.836 119.070 0.227 0.000 2.491 340 H HA -0.031 4.525 4.556 -0.000 0.000 0.290 340 H C 1.305 176.738 175.328 0.176 0.000 1.050 340 H CA 1.187 57.396 56.048 0.267 0.000 1.309 340 H CB -0.351 29.648 29.762 0.394 0.000 1.392 340 H HN 0.296 nan 8.280 nan 0.000 0.554 341 F N 1.144 121.032 119.950 -0.104 0.000 2.120 341 F HA -0.253 4.274 4.527 -0.000 0.000 0.300 341 F C 2.423 178.031 175.800 -0.321 0.000 1.095 341 F CA 1.353 58.945 58.000 -0.681 0.000 1.249 341 F CB -0.490 38.013 39.000 -0.828 0.000 0.995 341 F HN 0.154 nan 8.300 nan 0.000 0.480 342 A N -0.025 122.731 122.820 -0.107 0.000 2.024 342 A HA -0.054 4.266 4.320 -0.000 0.000 0.220 342 A C 2.257 179.722 177.584 -0.198 0.000 1.164 342 A CA 1.421 53.372 52.037 -0.144 0.000 0.643 342 A CB -1.707 17.297 19.000 0.006 0.000 0.806 342 A HN 0.497 nan 8.150 nan 0.000 0.451 343 G N -0.185 108.529 108.800 -0.143 0.000 3.124 343 G HA2 0.051 4.011 3.960 -0.000 0.000 0.212 343 G HA3 0.051 4.011 3.960 -0.000 0.000 0.212 343 G C 1.362 176.190 174.900 -0.121 0.000 1.181 343 G CA 0.427 45.465 45.100 -0.103 0.000 0.803 343 G HN 0.759 nan 8.290 nan 0.000 0.529 344 R N -0.421 119.887 120.500 -0.320 0.000 2.092 344 R HA -0.058 4.282 4.340 -0.000 0.000 0.231 344 R C 1.683 177.807 176.300 -0.293 0.000 1.119 344 R CA 1.454 57.392 56.100 -0.270 0.000 0.970 344 R CB -0.728 29.215 30.300 -0.596 0.000 0.864 344 R HN 0.468 nan 8.270 nan 0.000 0.440 345 H N 1.173 120.150 119.070 -0.154 0.000 2.357 345 H HA 0.115 4.671 4.556 -0.000 0.000 0.301 345 H C 2.368 177.654 175.328 -0.070 0.000 1.082 345 H CA 1.342 57.316 56.048 -0.124 0.000 1.342 345 H CB -0.024 29.667 29.762 -0.119 0.000 1.389 345 H HN 0.437 nan 8.280 nan 0.000 0.511 346 A N 0.764 123.610 122.820 0.043 0.000 1.933 346 A HA -0.140 4.179 4.320 -0.000 0.000 0.218 346 A C 2.506 180.094 177.584 0.007 0.000 1.175 346 A CA 1.650 53.699 52.037 0.021 0.000 0.628 346 A CB -0.791 18.214 19.000 0.010 0.000 0.814 346 A HN 0.241 nan 8.150 nan 0.000 0.444 347 V N -0.256 119.649 119.914 -0.015 0.000 2.358 347 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 347 V C 2.611 178.680 176.094 -0.042 0.000 1.047 347 V CA 2.187 64.448 62.300 -0.065 0.000 1.035 347 V CB -0.716 30.983 31.823 -0.205 0.000 0.658 347 V HN 0.567 nan 8.190 nan 0.000 0.452 348 M N 0.239 119.839 119.600 0.001 0.000 2.175 348 M HA -0.162 4.318 4.480 -0.000 0.000 0.264 348 M C 2.272 178.589 176.300 0.029 0.000 1.063 348 M CA 1.726 57.044 55.300 0.030 0.000 1.119 348 M CB -0.722 31.882 32.600 0.006 0.000 1.377 348 M HN 0.484 nan 8.290 nan 0.000 0.415 349 N N 0.969 119.681 118.700 0.020 0.000 2.104 349 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 349 N C 1.585 177.093 175.510 -0.002 0.000 1.024 349 N CA 1.811 54.866 53.050 0.007 0.000 0.853 349 N CB 0.080 38.569 38.487 0.004 0.000 1.008 349 N HN 0.339 nan 8.380 nan 0.000 0.424 350 A N 1.035 123.872 122.820 0.029 0.000 1.968 350 A HA 0.029 4.349 4.320 -0.000 0.000 0.217 350 A C 2.314 179.968 177.584 0.117 0.000 1.169 350 A CA 0.462 52.532 52.037 0.055 0.000 0.638 350 A CB -0.436 18.664 19.000 0.167 0.000 0.812 350 A HN 0.341 nan 8.150 nan 0.000 0.446 351 I N 0.837 121.505 120.570 0.163 0.000 2.208 351 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 351 I C 2.846 179.056 176.117 0.153 0.000 1.097 351 I CA 1.682 63.130 61.300 0.246 0.000 1.363 351 I CB -0.174 37.922 38.000 0.160 0.000 1.051 351 I HN 0.506 nan 8.210 nan 0.000 0.413 352 S N -0.023 115.711 115.700 0.056 0.000 2.423 352 S HA -0.084 4.386 4.470 -0.000 0.000 0.231 352 S C 1.903 176.472 174.600 -0.053 0.000 1.014 352 S CA 0.897 59.107 58.200 0.017 0.000 0.965 352 S CB -0.692 62.511 63.200 0.004 0.000 0.785 352 S HN 0.245 nan 8.310 nan 0.000 0.495 353 V N 2.117 121.932 119.914 -0.164 0.000 2.283 353 V HA -0.104 4.016 4.120 -0.000 0.000 0.243 353 V C 2.630 178.529 176.094 -0.325 0.000 1.039 353 V CA 1.796 63.901 62.300 -0.323 0.000 1.016 353 V CB -0.827 30.643 31.823 -0.588 0.000 0.650 353 V HN 0.622 nan 8.190 nan 0.000 0.449 354 H N -0.076 118.954 119.070 -0.066 0.000 2.497 354 H HA 0.374 4.930 4.556 -0.000 0.000 0.282 354 H C 1.188 176.466 175.328 -0.084 0.000 1.003 354 H CA 1.036 56.950 56.048 -0.223 0.000 1.307 354 H CB 0.225 29.584 29.762 -0.672 0.000 1.437 354 H HN 0.450 nan 8.280 nan 0.000 0.544 355 A N 2.614 125.566 122.820 0.219 0.000 3.105 355 A HA 0.281 4.601 4.320 -0.000 0.000 0.336 355 A C -1.637 176.028 177.584 0.134 0.000 1.042 355 A CA -1.193 50.982 52.037 0.229 0.000 0.851 355 A CB 0.552 19.773 19.000 0.369 0.000 1.068 355 A HN -0.001 nan 8.150 nan 0.000 0.477 356 P HA -0.157 nan 4.420 nan 0.000 0.219 356 P C 0.153 177.484 177.300 0.052 0.000 1.146 356 P CA 1.212 64.335 63.100 0.038 0.000 0.808 356 P CB 0.306 32.013 31.700 0.011 0.000 0.779 357 D N -0.733 119.708 120.400 0.068 0.000 2.363 357 D HA 0.031 4.671 4.640 -0.000 0.000 0.220 357 D C 1.922 178.270 176.300 0.080 0.000 0.994 357 D CA 0.460 54.501 54.000 0.068 0.000 0.890 357 D CB -0.450 40.392 40.800 0.071 0.000 0.906 357 D HN 0.248 nan 8.370 nan 0.000 0.530 358 L N -0.618 120.664 121.223 0.098 0.000 2.341 358 L HA 0.134 4.474 4.340 -0.000 0.000 0.214 358 L C 0.679 177.602 176.870 0.087 0.000 1.115 358 L CA 0.516 55.419 54.840 0.104 0.000 0.820 358 L CB 0.204 42.342 42.059 0.131 0.000 0.944 358 L HN -0.069 nan 8.230 nan 0.000 0.452 359 L N -0.426 120.841 121.223 0.072 0.000 2.371 359 L HA 0.458 4.798 4.340 -0.000 0.000 0.262 359 L C -2.130 174.764 176.870 0.039 0.000 1.006 359 L CA -1.945 52.929 54.840 0.056 0.000 0.818 359 L CB 2.005 44.096 42.059 0.054 0.000 1.354 359 L HN -0.170 nan 8.230 nan 0.000 0.415 360 P HA 0.097 nan 4.420 nan 0.000 0.269 360 P C -1.413 175.910 177.300 0.039 0.000 1.215 360 P CA -0.306 62.812 63.100 0.031 0.000 0.780 360 P CB 1.073 32.785 31.700 0.020 0.000 0.898 361 Q N 2.311 122.137 119.800 0.044 0.000 2.374 361 Q HA 0.277 4.617 4.340 -0.000 0.000 0.250 361 Q C -2.229 173.799 176.000 0.047 0.000 0.918 361 Q CA -1.718 54.115 55.803 0.050 0.000 0.778 361 Q CB 1.442 30.221 28.738 0.068 0.000 1.328 361 Q HN 0.089 nan 8.270 nan 0.000 0.445 362 P HA -0.180 nan 4.420 nan 0.000 0.217 362 P C 0.976 178.303 177.300 0.046 0.000 1.148 362 P CA 0.844 63.965 63.100 0.035 0.000 0.828 362 P CB 0.343 32.059 31.700 0.026 0.000 0.783 363 V N -0.305 119.640 119.914 0.052 0.000 2.515 363 V HA -0.115 4.005 4.120 -0.000 0.000 0.250 363 V C 1.431 177.583 176.094 0.096 0.000 1.058 363 V CA 0.883 63.222 62.300 0.065 0.000 1.064 363 V CB -0.629 31.229 31.823 0.058 0.000 0.675 363 V HN -0.078 nan 8.190 nan 0.000 0.461 364 V N 2.159 122.134 119.914 0.102 0.000 2.493 364 V HA 0.064 4.184 4.120 -0.000 0.000 0.292 364 V C -0.066 176.092 176.094 0.107 0.000 1.016 364 V CA 0.381 62.758 62.300 0.129 0.000 1.097 364 V CB 0.677 32.565 31.823 0.108 0.000 0.947 364 V HN 0.466 nan 8.190 nan 0.000 0.479 365 D N 7.163 127.659 120.400 0.160 0.000 2.440 365 D HA 0.399 5.039 4.640 -0.000 0.000 0.252 365 D C -1.915 174.495 176.300 0.184 0.000 1.180 365 D CA -2.166 51.917 54.000 0.137 0.000 0.894 365 D CB 2.343 43.225 40.800 0.136 0.000 1.111 365 D HN 0.176 nan 8.370 nan 0.000 0.544 366 P HA -0.021 nan 4.420 nan 0.000 0.228 366 P C 0.558 177.959 177.300 0.168 0.000 1.151 366 P CA 0.513 63.580 63.100 -0.056 0.000 0.770 366 P CB 0.467 32.104 31.700 -0.105 0.000 0.786 367 D N -0.603 119.917 120.400 0.200 0.000 2.219 367 D HA -0.035 4.605 4.640 -0.000 0.000 0.205 367 D C 0.816 177.291 176.300 0.293 0.000 0.970 367 D CA 0.631 54.768 54.000 0.228 0.000 0.851 367 D CB -0.416 40.471 40.800 0.145 0.000 0.943 367 D HN 0.225 nan 8.370 nan 0.000 0.488 368 I N 0.922 121.689 120.570 0.328 0.000 2.496 368 I HA 0.067 4.237 4.170 -0.000 0.000 0.285 368 I C 0.876 177.163 176.117 0.283 0.000 1.080 368 I CA -0.044 61.407 61.300 0.252 0.000 1.404 368 I CB 0.800 38.926 38.000 0.210 0.000 1.403 368 I HN -0.294 nan 8.210 nan 0.000 0.539 369 R N 6.834 127.363 120.500 0.048 0.000 2.335 369 R HA 0.199 4.539 4.340 -0.000 0.000 0.302 369 R C -0.223 176.077 176.300 -0.000 0.000 1.147 369 R CA -0.547 55.454 56.100 -0.164 0.000 1.111 369 R CB 0.297 30.164 30.300 -0.721 0.000 1.122 369 R HN 0.784 nan 8.270 nan 0.000 0.557 370 N N 3.123 121.906 118.700 0.139 0.000 2.385 370 N HA -0.023 4.717 4.740 -0.000 0.000 0.291 370 N C 0.854 176.412 175.510 0.080 0.000 1.298 370 N CA -0.158 52.924 53.050 0.054 0.000 0.955 370 N CB 0.168 38.623 38.487 -0.053 0.000 1.096 370 N HN 0.505 nan 8.380 nan 0.000 0.543 371 R N -0.809 119.680 120.500 -0.019 0.000 2.236 371 R HA -0.007 4.333 4.340 -0.000 0.000 0.208 371 R C 1.878 178.190 176.300 0.020 0.000 1.036 371 R CA 1.222 57.330 56.100 0.012 0.000 1.001 371 R CB -1.253 29.050 30.300 0.004 0.000 0.896 371 R HN 0.668 nan 8.270 nan 0.000 0.464 372 C N -0.380 118.785 119.300 -0.225 0.000 2.437 372 C HA 0.104 4.564 4.460 -0.000 0.000 0.283 372 C C 0.471 175.258 174.990 -0.338 0.000 1.424 372 C CA -1.122 57.635 59.018 -0.435 0.000 1.782 372 C CB -1.485 25.764 27.740 -0.819 0.000 1.833 372 C HN 0.523 nan 8.230 nan 0.000 0.532 373 W N 2.242 123.541 121.300 -0.002 0.000 2.360 373 W HA 0.546 5.206 4.660 -0.000 0.000 0.344 373 W C -0.025 176.493 176.519 -0.002 0.000 1.025 373 W CA -0.399 56.946 57.345 0.000 0.000 1.480 373 W CB -0.008 29.424 29.460 -0.047 0.000 1.350 373 W HN 0.183 nan 8.180 nan 0.000 0.382 374 D N 2.232 122.724 120.400 0.153 0.000 2.365 374 D HA 0.028 4.668 4.640 -0.000 0.000 0.235 374 D C 0.497 176.790 176.300 -0.012 0.000 1.368 374 D CA -0.241 53.777 54.000 0.030 0.000 1.001 374 D CB 1.102 41.851 40.800 -0.084 0.000 1.364 374 D HN 0.143 nan 8.370 nan 0.000 0.577 375 D N 1.935 122.339 120.400 0.006 0.000 2.182 375 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 375 D C 1.521 177.789 176.300 -0.053 0.000 0.986 375 D CA 0.997 54.994 54.000 -0.005 0.000 0.847 375 D CB 0.417 41.223 40.800 0.010 0.000 0.942 375 D HN 0.444 nan 8.370 nan 0.000 0.467 376 K N 0.142 120.491 120.400 -0.085 0.000 2.280 376 K HA -0.034 4.286 4.320 -0.000 0.000 0.202 376 K C 1.473 177.973 176.600 -0.167 0.000 1.047 376 K CA 0.765 56.984 56.287 -0.113 0.000 0.942 376 K CB 0.219 32.649 32.500 -0.116 0.000 0.739 376 K HN 0.055 nan 8.250 nan 0.000 0.457 377 K N 0.841 121.096 120.400 -0.242 0.000 2.373 377 K HA 0.080 4.400 4.320 -0.000 0.000 0.202 377 K C -0.207 176.273 176.600 -0.201 0.000 1.025 377 K CA 0.033 56.102 56.287 -0.363 0.000 1.115 377 K CB 1.068 33.010 32.500 -0.929 0.000 0.858 377 K HN -0.019 nan 8.250 nan 0.000 0.525 378 V N -1.388 118.461 119.914 -0.110 0.000 2.513 378 V HA 0.334 4.454 4.120 -0.000 0.000 0.299 378 V C -0.166 175.879 176.094 -0.083 0.000 1.035 378 V CA -0.908 61.354 62.300 -0.063 0.000 0.889 378 V CB 1.687 33.509 31.823 -0.001 0.000 0.988 378 V HN -0.075 nan 8.190 nan 0.000 0.440 379 D N 3.771 124.082 120.400 -0.149 0.000 2.149 379 D HA 0.505 5.145 4.640 -0.000 0.000 0.291 379 D C 1.563 177.837 176.300 -0.044 0.000 1.134 379 D CA 0.680 54.601 54.000 -0.132 0.000 1.056 379 D CB 0.103 40.755 40.800 -0.248 0.000 1.151 379 D HN 0.772 nan 8.370 nan 0.000 0.479 380 A N -1.033 121.803 122.820 0.027 0.000 2.195 380 A HA 0.152 4.472 4.320 -0.000 0.000 0.210 380 A C 0.052 177.709 177.584 0.122 0.000 1.165 380 A CA 0.623 52.737 52.037 0.127 0.000 0.806 380 A CB -0.862 18.267 19.000 0.216 0.000 0.847 380 A HN 0.629 nan 8.150 nan 0.000 0.482 381 H N -2.599 116.484 119.070 0.021 0.000 2.855 381 H HA 0.792 5.348 4.556 -0.000 0.000 0.363 381 H C -0.370 174.958 175.328 0.001 0.000 1.185 381 H CA -0.554 55.466 56.048 -0.046 0.000 1.174 381 H CB 0.773 30.538 29.762 0.006 0.000 1.857 381 H HN 0.393 nan 8.280 nan 0.000 0.565 382 H N -0.564 118.584 119.070 0.130 0.000 2.949 382 H HA 0.747 5.303 4.556 -0.000 0.000 0.310 382 H C -0.544 174.839 175.328 0.092 0.000 1.405 382 H CA -1.100 54.965 56.048 0.029 0.000 1.253 382 H CB 0.350 30.085 29.762 -0.045 0.000 1.932 382 H HN 0.966 nan 8.280 nan 0.000 0.602 383 A N 0.532 123.513 122.820 0.268 0.000 2.547 383 A HA 0.232 4.552 4.320 -0.000 0.000 0.233 383 A C 0.162 177.908 177.584 0.271 0.000 1.067 383 A CA -0.258 51.884 52.037 0.174 0.000 0.763 383 A CB -0.699 18.307 19.000 0.009 0.000 1.007 383 A HN 0.577 nan 8.150 nan 0.000 0.506 384 I N 2.357 123.026 120.570 0.166 0.000 2.505 384 I HA 0.232 4.402 4.170 -0.000 0.000 0.287 384 I C 0.222 176.442 176.117 0.172 0.000 1.104 384 I CA 0.586 61.978 61.300 0.153 0.000 1.387 384 I CB -0.441 37.618 38.000 0.099 0.000 1.404 384 I HN 0.574 nan 8.210 nan 0.000 0.528 385 I N 4.925 125.611 120.570 0.192 0.000 3.095 385 I HA 0.679 4.849 4.170 -0.000 0.000 0.310 385 I C -2.907 173.245 176.117 0.058 0.000 1.196 385 I CA -2.886 58.490 61.300 0.126 0.000 0.985 385 I CB 2.009 40.127 38.000 0.197 0.000 1.250 385 I HN 0.130 nan 8.210 nan 0.000 0.446 386 P HA 0.177 nan 4.420 nan 0.000 0.272 386 P C -0.336 176.983 177.300 0.031 0.000 1.223 386 P CA -0.069 63.010 63.100 -0.035 0.000 0.784 386 P CB 0.593 32.207 31.700 -0.143 0.000 0.923 387 T N -1.397 113.235 114.554 0.130 0.000 2.771 387 T HA 0.446 4.796 4.350 -0.000 0.000 0.290 387 T C 1.089 175.844 174.700 0.092 0.000 1.005 387 T CA -0.247 61.923 62.100 0.117 0.000 0.944 387 T CB 0.335 69.283 68.868 0.133 0.000 1.147 387 T HN 0.283 nan 8.240 nan 0.000 0.534 388 A N -0.481 122.383 122.820 0.073 0.000 2.275 388 A HA 0.268 4.588 4.320 -0.000 0.000 0.212 388 A C 1.241 178.878 177.584 0.088 0.000 1.201 388 A CA -0.308 51.767 52.037 0.063 0.000 0.843 388 A CB -0.607 18.411 19.000 0.030 0.000 0.873 388 A HN 0.790 nan 8.150 nan 0.000 0.492 389 R N 1.120 121.687 120.500 0.112 0.000 2.480 389 R HA 0.106 4.446 4.340 -0.000 0.000 0.303 389 R C 0.884 177.316 176.300 0.221 0.000 0.985 389 R CA 0.882 57.056 56.100 0.123 0.000 1.051 389 R CB 0.341 30.693 30.300 0.087 0.000 0.935 389 R HN 0.352 nan 8.270 nan 0.000 0.410 390 S N 1.188 116.962 115.700 0.124 0.000 2.539 390 S HA 0.104 4.574 4.470 -0.000 0.000 0.221 390 S C 0.017 174.631 174.600 0.023 0.000 0.987 390 S CA -0.511 57.720 58.200 0.051 0.000 0.929 390 S CB 0.577 63.775 63.200 -0.004 0.000 0.832 390 S HN 0.425 nan 8.310 nan 0.000 0.492 391 S N 2.882 118.628 115.700 0.078 0.000 2.537 391 S HA 0.554 5.024 4.470 -0.000 0.000 0.286 391 S C 0.588 175.254 174.600 0.109 0.000 1.299 391 S CA -0.196 58.039 58.200 0.058 0.000 1.067 391 S CB 0.559 63.787 63.200 0.046 0.000 0.864 391 S HN 0.746 nan 8.310 nan 0.000 0.494 392 A N 3.880 126.720 122.820 0.034 0.000 2.498 392 A HA 0.488 4.808 4.320 -0.000 0.000 0.239 392 A C -0.026 177.572 177.584 0.023 0.000 1.068 392 A CA -0.017 52.035 52.037 0.025 0.000 0.766 392 A CB -0.196 18.790 19.000 -0.024 0.000 1.003 392 A HN 0.794 nan 8.150 nan 0.000 0.497 393 I N 1.404 121.974 120.570 0.000 0.000 2.647 393 I HA 0.188 4.358 4.170 -0.000 0.000 0.295 393 I C -0.311 175.717 176.117 -0.148 0.000 1.078 393 I CA -0.700 60.536 61.300 -0.107 0.000 1.048 393 I CB 2.274 40.137 38.000 -0.229 0.000 1.239 393 I HN 0.668 nan 8.210 nan 0.000 0.421 394 N N 6.414 125.026 118.700 -0.146 0.000 2.415 394 N HA 0.351 5.091 4.740 -0.000 0.000 0.250 394 N C -1.189 174.213 175.510 -0.181 0.000 1.127 394 N CA 0.136 53.113 53.050 -0.122 0.000 0.945 394 N CB 0.149 38.594 38.487 -0.069 0.000 1.196 394 N HN 0.418 nan 8.380 nan 0.000 0.499 395 L N 0.974 122.090 121.223 -0.178 0.000 2.360 395 L HA 0.404 4.744 4.340 -0.000 0.000 0.271 395 L C 1.181 177.993 176.870 -0.098 0.000 1.057 395 L CA -0.818 53.910 54.840 -0.185 0.000 0.803 395 L CB 1.476 43.419 42.059 -0.195 0.000 1.207 395 L HN 0.317 nan 8.230 nan 0.000 0.445 396 T N -0.413 114.100 114.554 -0.068 0.000 2.868 396 T HA 0.045 4.395 4.350 -0.000 0.000 0.292 396 T C 1.124 175.789 174.700 -0.058 0.000 1.028 396 T CA -0.171 61.901 62.100 -0.046 0.000 1.059 396 T CB 0.741 69.594 68.868 -0.025 0.000 0.991 396 T HN 0.709 nan 8.240 nan 0.000 0.531 397 E N 1.611 121.774 120.200 -0.061 0.000 2.097 397 E HA -0.210 4.140 4.350 -0.000 0.000 0.196 397 E C 1.723 178.250 176.600 -0.122 0.000 1.000 397 E CA 1.416 57.765 56.400 -0.084 0.000 0.804 397 E CB -0.014 29.637 29.700 -0.082 0.000 0.740 397 E HN 0.519 nan 8.360 nan 0.000 0.454 398 N N 0.428 119.066 118.700 -0.103 0.000 2.354 398 N HA -0.084 4.656 4.740 -0.000 0.000 0.179 398 N C 1.388 176.858 175.510 -0.067 0.000 1.021 398 N CA 0.696 53.676 53.050 -0.116 0.000 0.887 398 N CB 0.016 38.459 38.487 -0.075 0.000 0.974 398 N HN 0.248 nan 8.380 nan 0.000 0.437 399 E N 0.665 120.846 120.200 -0.031 0.000 2.047 399 E HA -0.025 4.325 4.350 -0.000 0.000 0.191 399 E C 1.922 178.538 176.600 0.026 0.000 0.987 399 E CA 1.061 57.469 56.400 0.012 0.000 0.799 399 E CB -0.073 29.631 29.700 0.007 0.000 0.752 399 E HN 0.319 nan 8.360 nan 0.000 0.449 400 A N 1.621 124.429 122.820 -0.020 0.000 1.908 400 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 400 A C 1.961 179.570 177.584 0.041 0.000 1.181 400 A CA 1.668 53.712 52.037 0.011 0.000 0.627 400 A CB -0.331 18.652 19.000 -0.028 0.000 0.818 400 A HN 0.037 nan 8.150 nan 0.000 0.445 401 K N -0.627 119.716 120.400 -0.096 0.000 2.002 401 K HA -0.087 4.233 4.320 -0.000 0.000 0.209 401 K C 1.904 178.527 176.600 0.039 0.000 1.048 401 K CA 1.565 57.717 56.287 -0.225 0.000 0.930 401 K CB -0.446 31.558 32.500 -0.827 0.000 0.714 401 K HN 0.262 nan 8.250 nan 0.000 0.438 402 V N 0.531 120.474 119.914 0.049 0.000 2.295 402 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 402 V C 2.028 178.232 176.094 0.183 0.000 1.049 402 V CA 1.814 64.193 62.300 0.132 0.000 1.024 402 V CB -0.522 31.351 31.823 0.084 0.000 0.648 402 V HN 0.308 nan 8.190 nan 0.000 0.447 403 Y N 1.431 121.776 120.300 0.075 0.000 2.128 403 Y HA -0.288 4.262 4.550 -0.000 0.000 0.284 403 Y C 2.692 178.672 175.900 0.133 0.000 1.154 403 Y CA 2.257 60.411 58.100 0.090 0.000 1.149 403 Y CB -0.424 38.066 38.460 0.050 0.000 0.976 403 Y HN 0.294 nan 8.280 nan 0.000 0.505 404 N N 0.630 119.508 118.700 0.297 0.000 2.094 404 N HA -0.240 4.500 4.740 -0.000 0.000 0.191 404 N C 1.857 177.479 175.510 0.186 0.000 1.023 404 N CA 2.023 55.216 53.050 0.239 0.000 0.857 404 N CB -0.389 38.252 38.487 0.255 0.000 1.013 404 N HN 0.512 nan 8.380 nan 0.000 0.426 405 L N 0.704 122.075 121.223 0.246 0.000 2.056 405 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 405 L C 2.489 179.549 176.870 0.316 0.000 1.078 405 L CA 0.750 55.772 54.840 0.304 0.000 0.749 405 L CB -0.321 41.941 42.059 0.338 0.000 0.901 405 L HN 0.173 nan 8.230 nan 0.000 0.433 406 I N -0.195 120.496 120.570 0.202 0.000 2.163 406 I HA -0.319 3.851 4.170 -0.000 0.000 0.243 406 I C 2.787 178.900 176.117 -0.006 0.000 1.085 406 I CA 1.352 62.741 61.300 0.148 0.000 1.347 406 I CB -0.467 37.544 38.000 0.020 0.000 1.044 406 I HN 0.218 nan 8.210 nan 0.000 0.408 407 A N 0.550 123.266 122.820 -0.173 0.000 1.898 407 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 407 A C 2.450 180.085 177.584 0.085 0.000 1.181 407 A CA 1.587 53.549 52.037 -0.124 0.000 0.620 407 A CB -0.644 18.205 19.000 -0.251 0.000 0.819 407 A HN 0.327 nan 8.150 nan 0.000 0.442 408 R N -0.869 119.688 120.500 0.095 0.000 2.091 408 R HA -0.228 4.112 4.340 -0.000 0.000 0.238 408 R C 2.357 178.703 176.300 0.076 0.000 1.136 408 R CA 1.976 58.150 56.100 0.123 0.000 0.959 408 R CB -0.246 30.139 30.300 0.142 0.000 0.856 408 R HN 0.557 nan 8.270 nan 0.000 0.437 409 Q N -0.585 119.205 119.800 -0.017 0.000 2.084 409 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 409 Q C 1.705 177.622 176.000 -0.139 0.000 0.978 409 Q CA 1.963 57.621 55.803 -0.241 0.000 0.844 409 Q CB -0.411 27.890 28.738 -0.728 0.000 0.898 409 Q HN 0.524 nan 8.270 nan 0.000 0.426 410 Y N -0.192 120.035 120.300 -0.122 0.000 2.181 410 Y HA -0.165 4.385 4.550 -0.000 0.000 0.288 410 Y C 1.553 177.542 175.900 0.148 0.000 1.146 410 Y CA 1.553 59.642 58.100 -0.018 0.000 1.164 410 Y CB -0.030 38.458 38.460 0.047 0.000 0.982 410 Y HN 0.107 nan 8.280 nan 0.000 0.515 411 L N -0.426 120.996 121.223 0.332 0.000 2.131 411 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 411 L C 2.467 179.477 176.870 0.233 0.000 1.092 411 L CA 1.382 56.425 54.840 0.339 0.000 0.759 411 L CB -0.529 41.691 42.059 0.269 0.000 0.903 411 L HN 0.348 nan 8.230 nan 0.000 0.435 412 M N -0.742 118.920 119.600 0.102 0.000 2.260 412 M HA -0.227 4.253 4.480 -0.000 0.000 0.261 412 M C 2.075 178.345 176.300 -0.051 0.000 1.066 412 M CA 1.421 56.758 55.300 0.061 0.000 1.082 412 M CB -0.231 32.353 32.600 -0.027 0.000 1.388 412 M HN 0.258 nan 8.290 nan 0.000 0.419 413 Q N -0.780 118.897 119.800 -0.205 0.000 2.437 413 Q HA -0.050 4.290 4.340 -0.000 0.000 0.210 413 Q C 0.845 176.585 176.000 -0.433 0.000 0.972 413 Q CA 1.204 56.749 55.803 -0.429 0.000 0.903 413 Q CB -0.188 28.113 28.738 -0.729 0.000 0.967 413 Q HN 0.554 nan 8.270 nan 0.000 0.486 414 F N -1.257 118.703 119.950 0.018 0.000 2.654 414 F HA 0.177 4.704 4.527 -0.000 0.000 0.303 414 F C 0.431 176.279 175.800 0.081 0.000 1.099 414 F CA -0.640 57.404 58.000 0.072 0.000 1.270 414 F CB 0.526 39.561 39.000 0.058 0.000 1.024 414 F HN -0.157 nan 8.300 nan 0.000 0.548 415 C N 1.462 120.885 119.300 0.205 0.000 2.366 415 C HA 0.523 4.983 4.460 -0.000 0.000 0.345 415 C C -1.786 173.307 174.990 0.173 0.000 1.209 415 C CA -1.608 57.528 59.018 0.197 0.000 2.050 415 C CB 1.106 28.989 27.740 0.239 0.000 2.359 415 C HN 0.078 nan 8.230 nan 0.000 0.527 416 P HA 0.152 nan 4.420 nan 0.000 0.273 416 P C -0.672 176.750 177.300 0.202 0.000 1.250 416 P CA -0.150 63.029 63.100 0.132 0.000 0.793 416 P CB 0.367 32.120 31.700 0.089 0.000 1.011 417 D N -0.307 120.198 120.400 0.174 0.000 2.472 417 D HA 0.179 4.819 4.640 -0.000 0.000 0.237 417 D C 0.349 176.761 176.300 0.186 0.000 1.141 417 D CA 0.477 54.622 54.000 0.242 0.000 0.875 417 D CB 0.062 40.948 40.800 0.144 0.000 1.192 417 D HN 0.325 nan 8.370 nan 0.000 0.450 418 A N 2.001 124.957 122.820 0.226 0.000 2.511 418 A HA 0.327 4.647 4.320 -0.000 0.000 0.242 418 A C -0.153 177.398 177.584 -0.055 0.000 1.069 418 A CA -0.285 51.686 52.037 -0.110 0.000 0.763 418 A CB 0.394 19.247 19.000 -0.244 0.000 1.001 418 A HN 0.329 nan 8.150 nan 0.000 0.498 419 V N 3.649 123.436 119.914 -0.213 0.000 2.407 419 V HA 0.425 4.545 4.120 -0.000 0.000 0.291 419 V C -0.749 175.169 176.094 -0.292 0.000 1.018 419 V CA -0.168 62.052 62.300 -0.133 0.000 0.842 419 V CB 0.689 32.468 31.823 -0.073 0.000 0.996 419 V HN 0.722 nan 8.190 nan 0.000 0.426 420 F N 3.303 123.183 119.950 -0.116 0.000 2.432 420 F HA 0.624 5.151 4.527 -0.000 0.000 0.329 420 F C 0.822 176.430 175.800 -0.319 0.000 1.076 420 F CA -0.724 57.151 58.000 -0.209 0.000 1.018 420 F CB 1.476 40.386 39.000 -0.149 0.000 1.201 420 F HN 0.213 nan 8.300 nan 0.000 0.489 421 R N 1.736 121.988 120.500 -0.414 0.000 2.295 421 R HA 0.316 4.656 4.340 -0.000 0.000 0.324 421 R C -0.890 175.204 176.300 -0.343 0.000 0.968 421 R CA -1.004 54.800 56.100 -0.493 0.000 0.837 421 R CB 1.638 31.435 30.300 -0.838 0.000 1.133 421 R HN 0.382 nan 8.270 nan 0.000 0.450 422 K N 2.617 122.907 120.400 -0.183 0.000 2.234 422 K HA 0.182 4.502 4.320 -0.000 0.000 0.277 422 K C -1.209 175.306 176.600 -0.141 0.000 1.038 422 K CA -0.322 55.886 56.287 -0.132 0.000 0.888 422 K CB 1.054 33.491 32.500 -0.106 0.000 1.091 422 K HN 0.537 nan 8.250 nan 0.000 0.467 423 C N 5.534 124.765 119.300 -0.116 0.000 2.319 423 C HA 0.712 5.172 4.460 -0.000 0.000 0.323 423 C C -1.023 173.872 174.990 -0.158 0.000 1.277 423 C CA -0.491 58.425 59.018 -0.171 0.000 1.517 423 C CB 0.059 27.751 27.740 -0.081 0.000 2.206 423 C HN 0.626 nan 8.230 nan 0.000 0.486 424 V N 7.721 127.496 119.914 -0.231 0.000 2.495 424 V HA 0.570 4.690 4.120 -0.000 0.000 0.298 424 V C -0.236 175.779 176.094 -0.131 0.000 1.031 424 V CA -0.322 61.898 62.300 -0.133 0.000 0.871 424 V CB 1.776 33.543 31.823 -0.093 0.000 0.988 424 V HN 0.769 nan 8.190 nan 0.000 0.432 425 I N 4.515 125.086 120.570 0.002 0.000 2.436 425 I HA 0.495 4.665 4.170 -0.000 0.000 0.289 425 I C -0.290 175.917 176.117 0.150 0.000 1.010 425 I CA -0.478 60.886 61.300 0.107 0.000 1.098 425 I CB 1.924 40.016 38.000 0.153 0.000 1.266 425 I HN 0.667 nan 8.210 nan 0.000 0.434 426 E N 7.438 127.727 120.200 0.148 0.000 2.183 426 E HA 0.765 5.115 4.350 -0.000 0.000 0.271 426 E C -1.352 175.358 176.600 0.183 0.000 0.919 426 E CA -0.884 55.614 56.400 0.163 0.000 0.781 426 E CB 2.593 32.363 29.700 0.117 0.000 1.140 426 E HN 0.407 nan 8.360 nan 0.000 0.402 427 L N 1.496 122.852 121.223 0.221 0.000 2.388 427 L HA 0.410 4.750 4.340 -0.000 0.000 0.264 427 L C -0.790 176.215 176.870 0.225 0.000 0.998 427 L CA -1.145 53.815 54.840 0.199 0.000 0.817 427 L CB 2.159 44.323 42.059 0.175 0.000 1.338 427 L HN 0.571 nan 8.230 nan 0.000 0.414 428 D N 2.539 123.036 120.400 0.161 0.000 2.280 428 D HA 0.545 5.185 4.640 -0.000 0.000 0.243 428 D C -0.931 175.433 176.300 0.107 0.000 1.129 428 D CA -0.034 54.063 54.000 0.161 0.000 0.848 428 D CB 0.864 41.731 40.800 0.112 0.000 1.107 428 D HN 0.340 nan 8.370 nan 0.000 0.471 429 I N 3.565 124.214 120.570 0.132 0.000 2.521 429 I HA 0.408 4.578 4.170 -0.000 0.000 0.277 429 I C 0.234 176.376 176.117 0.041 0.000 1.054 429 I CA -0.999 60.292 61.300 -0.014 0.000 1.117 429 I CB 1.594 39.411 38.000 -0.305 0.000 1.217 429 I HN 0.649 nan 8.210 nan 0.000 0.469 430 A N 6.283 129.113 122.820 0.018 0.000 2.791 430 A HA -0.248 4.072 4.320 -0.000 0.000 0.292 430 A C 1.585 179.202 177.584 0.056 0.000 1.487 430 A CA 1.599 53.645 52.037 0.015 0.000 0.760 430 A CB -1.130 17.851 19.000 -0.031 0.000 1.031 430 A HN 1.097 nan 8.150 nan 0.000 0.503 431 K N -3.843 116.610 120.400 0.089 0.000 3.030 431 K HA -0.187 4.133 4.320 -0.000 0.000 0.384 431 K C 0.599 177.305 176.600 0.176 0.000 0.560 431 K CA 2.445 58.800 56.287 0.113 0.000 1.690 431 K CB -2.277 30.279 32.500 0.092 0.000 1.009 431 K HN 2.263 nan 8.250 nan 0.000 0.444 432 G N 2.881 111.819 108.800 0.230 0.000 2.398 432 G HA2 0.337 4.297 3.960 -0.000 0.000 0.246 432 G HA3 0.337 4.297 3.960 -0.000 0.000 0.246 432 G C -0.463 174.690 174.900 0.423 0.000 1.289 432 G CA -0.067 45.236 45.100 0.339 0.000 0.869 432 G HN 0.320 nan 8.290 nan 0.000 0.543 433 K N 0.859 121.431 120.400 0.287 0.000 2.172 433 K HA 0.482 4.802 4.320 -0.000 0.000 0.276 433 K C -1.226 175.436 176.600 0.105 0.000 1.013 433 K CA -0.108 56.319 56.287 0.234 0.000 0.913 433 K CB 1.434 34.002 32.500 0.113 0.000 1.055 433 K HN 0.345 nan 8.250 nan 0.000 0.461 434 F N 0.877 120.932 119.950 0.175 0.000 2.578 434 F HA 0.388 4.915 4.527 -0.000 0.000 0.311 434 F C -0.555 175.324 175.800 0.131 0.000 1.094 434 F CA -1.017 57.084 58.000 0.169 0.000 0.923 434 F CB 1.965 41.052 39.000 0.144 0.000 1.230 434 F HN 0.130 nan 8.300 nan 0.000 0.450 435 V N 2.681 122.755 119.914 0.266 0.000 2.656 435 V HA 0.916 5.036 4.120 -0.000 0.000 0.307 435 V C -1.302 174.916 176.094 0.207 0.000 1.051 435 V CA -0.486 61.929 62.300 0.193 0.000 0.893 435 V CB 1.611 33.493 31.823 0.098 0.000 0.999 435 V HN 0.928 nan 8.190 nan 0.000 0.426 436 A N 6.841 129.790 122.820 0.215 0.000 2.330 436 A HA 0.875 5.195 4.320 -0.000 0.000 0.313 436 A C -0.663 176.988 177.584 0.111 0.000 1.124 436 A CA -0.764 51.403 52.037 0.217 0.000 0.774 436 A CB 1.086 20.327 19.000 0.403 0.000 1.198 436 A HN 0.914 nan 8.150 nan 0.000 0.465 437 K N 1.205 121.653 120.400 0.081 0.000 2.375 437 K HA 0.897 5.217 4.320 -0.000 0.000 0.249 437 K C -0.782 175.842 176.600 0.040 0.000 0.942 437 K CA -0.642 55.665 56.287 0.033 0.000 0.806 437 K CB 2.475 34.981 32.500 0.010 0.000 1.227 437 K HN 1.001 nan 8.250 nan 0.000 0.430 438 A N 2.041 124.878 122.820 0.028 0.000 2.574 438 A HA 0.690 5.010 4.320 -0.000 0.000 0.297 438 A C -1.539 176.080 177.584 0.059 0.000 1.062 438 A CA -0.918 51.157 52.037 0.064 0.000 0.686 438 A CB 1.968 21.028 19.000 0.100 0.000 1.285 438 A HN 0.808 nan 8.150 nan 0.000 0.403 439 R N 1.244 121.796 120.500 0.087 0.000 2.510 439 R HA 0.627 4.967 4.340 -0.000 0.000 0.294 439 R C -1.711 174.715 176.300 0.210 0.000 1.056 439 R CA -0.456 55.676 56.100 0.053 0.000 0.918 439 R CB 1.000 31.271 30.300 -0.048 0.000 1.187 439 R HN 0.925 nan 8.270 nan 0.000 0.437 440 F N 2.428 122.481 119.950 0.172 0.000 2.561 440 F HA 0.553 5.080 4.527 -0.000 0.000 0.321 440 F C -1.278 174.653 175.800 0.218 0.000 1.065 440 F CA -1.595 56.514 58.000 0.183 0.000 0.934 440 F CB 0.866 39.912 39.000 0.076 0.000 1.215 440 F HN 0.262 nan 8.300 nan 0.000 0.471 441 L N 3.538 124.915 121.223 0.257 0.000 2.385 441 L HA 0.512 4.852 4.340 -0.000 0.000 0.281 441 L C 0.717 177.585 176.870 -0.004 0.000 1.106 441 L CA 0.400 55.080 54.840 -0.266 0.000 0.856 441 L CB 0.325 42.173 42.059 -0.352 0.000 1.186 441 L HN 0.949 nan 8.230 nan 0.000 0.453 442 A N 4.388 127.127 122.820 -0.135 0.000 1.911 442 A HA 0.159 4.479 4.320 -0.000 0.000 0.212 442 A C 0.526 178.079 177.584 -0.052 0.000 1.189 442 A CA 0.531 52.590 52.037 0.036 0.000 0.639 442 A CB -0.071 18.917 19.000 -0.020 0.000 0.839 442 A HN 0.711 nan 8.150 nan 0.000 0.449 443 E N -1.331 118.770 120.200 -0.165 0.000 2.241 443 E HA 0.560 4.910 4.350 -0.000 0.000 0.263 443 E C 0.356 176.810 176.600 -0.244 0.000 0.882 443 E CA 0.001 56.312 56.400 -0.148 0.000 0.769 443 E CB 1.917 31.562 29.700 -0.092 0.000 1.185 443 E HN 0.230 nan 8.360 nan 0.000 0.415 444 A N 3.560 126.250 122.820 -0.215 0.000 1.902 444 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 444 A C 1.515 178.909 177.584 -0.317 0.000 1.181 444 A CA 1.662 53.528 52.037 -0.285 0.000 0.623 444 A CB -1.149 17.730 19.000 -0.202 0.000 0.818 444 A HN 0.950 nan 8.150 nan 0.000 0.443 445 G N -0.536 108.164 108.800 -0.167 0.000 2.652 445 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.318 445 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.318 445 G C 1.029 175.893 174.900 -0.059 0.000 1.295 445 G CA 1.331 46.392 45.100 -0.065 0.000 0.999 445 G HN 1.304 nan 8.290 nan 0.000 0.548 446 W N 1.246 122.542 121.300 -0.006 0.000 2.341 446 W HA -0.071 4.589 4.660 -0.000 0.000 0.283 446 W C 2.119 178.639 176.519 0.003 0.000 1.215 446 W CA 1.345 58.691 57.345 0.001 0.000 1.211 446 W CB -0.797 28.656 29.460 -0.011 0.000 1.131 446 W HN 0.511 nan 8.180 nan 0.000 0.552 447 R N 0.594 120.588 120.500 -0.842 0.000 2.237 447 R HA -0.065 4.275 4.340 -0.000 0.000 0.219 447 R C 2.237 178.364 176.300 -0.290 0.000 1.080 447 R CA 1.771 57.418 56.100 -0.755 0.000 0.995 447 R CB -0.619 29.150 30.300 -0.885 0.000 0.875 447 R HN 0.120 nan 8.270 nan 0.000 0.462 448 T N 1.578 116.022 114.554 -0.184 0.000 2.778 448 T HA -0.130 4.220 4.350 -0.000 0.000 0.269 448 T C 1.661 176.351 174.700 -0.016 0.000 1.050 448 T CA 1.002 63.057 62.100 -0.076 0.000 1.137 448 T CB -0.051 68.797 68.868 -0.034 0.000 0.860 448 T HN 0.221 nan 8.240 nan 0.000 0.468 449 L N 0.165 121.404 121.223 0.027 0.000 2.552 449 L HA 0.196 4.536 4.340 -0.000 0.000 0.227 449 L C 0.669 177.585 176.870 0.077 0.000 1.146 449 L CA 0.124 55.013 54.840 0.081 0.000 0.858 449 L CB -0.358 41.787 42.059 0.142 0.000 0.969 449 L HN 0.236 nan 8.230 nan 0.000 0.451 450 L N -0.769 120.477 121.223 0.038 0.000 2.439 450 L HA 0.328 4.668 4.340 -0.000 0.000 0.261 450 L C 1.016 177.899 176.870 0.022 0.000 1.153 450 L CA -0.446 54.416 54.840 0.038 0.000 0.808 450 L CB 0.326 42.387 42.059 0.004 0.000 1.126 450 L HN -0.068 nan 8.230 nan 0.000 0.460 451 G N -0.501 108.315 108.800 0.026 0.000 2.580 451 G HA2 0.240 4.200 3.960 -0.000 0.000 0.278 451 G HA3 0.240 4.200 3.960 -0.000 0.000 0.278 451 G C 0.952 175.858 174.900 0.009 0.000 1.212 451 G CA 0.119 45.232 45.100 0.022 0.000 0.939 451 G HN 0.783 nan 8.290 nan 0.000 0.513 452 S N -0.461 115.246 115.700 0.011 0.000 2.400 452 S HA -0.150 4.320 4.470 -0.000 0.000 0.234 452 S C 1.084 175.689 174.600 0.007 0.000 1.049 452 S CA 1.351 59.555 58.200 0.007 0.000 1.039 452 S CB -0.334 62.872 63.200 0.011 0.000 0.856 452 S HN 0.613 nan 8.310 nan 0.000 0.465 460 D N 0.630 121.080 120.400 0.083 0.000 2.619 460 D HA 0.717 5.357 4.640 -0.000 0.000 0.241 460 D C 0.997 177.337 176.300 0.068 0.000 1.087 460 D CA 0.342 54.369 54.000 0.045 0.000 0.851 460 D CB 1.897 42.692 40.800 -0.008 0.000 1.474 460 D HN 0.723 nan 8.370 nan 0.000 0.478 461 G N 1.321 110.157 108.800 0.060 0.000 2.698 461 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.233 461 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.233 461 G C -0.154 174.796 174.900 0.082 0.000 1.352 461 G CA -0.034 45.108 45.100 0.070 0.000 0.879 461 G HN 0.859 nan 8.290 nan 0.000 0.567 462 T N -0.843 113.764 114.554 0.088 0.000 2.863 462 T HA 0.729 5.079 4.350 -0.000 0.000 0.285 462 T C -2.442 172.308 174.700 0.084 0.000 1.009 462 T CA -0.914 61.236 62.100 0.084 0.000 0.989 462 T CB 2.330 71.251 68.868 0.088 0.000 1.004 462 T HN 0.753 nan 8.240 nan 0.000 0.455 463 P HA 0.151 nan 4.420 nan 0.000 0.260 463 P C -0.648 176.665 177.300 0.022 0.000 1.172 463 P CA -0.070 63.051 63.100 0.035 0.000 0.760 463 P CB 0.374 32.050 31.700 -0.040 0.000 0.773 464 L N 5.623 126.850 121.223 0.008 0.000 2.334 464 L HA 0.478 4.818 4.340 -0.000 0.000 0.275 464 L C -1.571 175.250 176.870 -0.083 0.000 1.036 464 L CA -2.254 52.515 54.840 -0.118 0.000 0.807 464 L CB 1.130 43.081 42.059 -0.179 0.000 1.231 464 L HN 0.280 nan 8.230 nan 0.000 0.438 465 P HA 0.106 nan 4.420 nan 0.000 0.274 465 P C -0.708 176.546 177.300 -0.076 0.000 1.237 465 P CA -0.374 62.670 63.100 -0.093 0.000 0.793 465 P CB 1.067 32.715 31.700 -0.086 0.000 0.977 466 V N 2.940 122.789 119.914 -0.107 0.000 2.387 466 V HA 0.135 4.255 4.120 -0.000 0.000 0.260 466 V C 0.928 176.760 176.094 -0.436 0.000 1.054 466 V CA -0.018 62.091 62.300 -0.319 0.000 0.967 466 V CB 0.365 32.081 31.823 -0.179 0.000 1.036 466 V HN 0.445 nan 8.190 nan 0.000 0.481 467 V N 2.840 122.317 119.914 -0.727 0.000 3.204 467 V HA 1.086 5.206 4.120 -0.000 0.000 0.316 467 V C -0.052 175.727 176.094 -0.525 0.000 1.160 467 V CA -0.788 61.253 62.300 -0.430 0.000 1.044 467 V CB 2.001 33.730 31.823 -0.156 0.000 1.136 467 V HN 0.883 nan 8.190 nan 0.000 0.455 468 A N 0.552 123.251 122.820 -0.202 0.000 2.454 468 A HA 0.682 5.002 4.320 -0.000 0.000 0.302 468 A C -0.329 177.259 177.584 0.007 0.000 1.079 468 A CA -0.967 51.015 52.037 -0.092 0.000 0.731 468 A CB 1.468 20.423 19.000 -0.075 0.000 1.299 468 A HN 1.032 nan 8.150 nan 0.000 0.413 469 K N 0.459 120.890 120.400 0.052 0.000 2.466 469 K HA 0.293 4.613 4.320 -0.000 0.000 0.278 469 K C 1.170 177.794 176.600 0.040 0.000 1.048 469 K CA 1.701 58.026 56.287 0.062 0.000 1.088 469 K CB -0.217 32.322 32.500 0.066 0.000 0.884 469 K HN 1.819 nan 8.250 nan 0.000 0.478 470 G N 3.409 112.235 108.800 0.044 0.000 2.238 470 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.217 470 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.217 470 G C -0.462 174.454 174.900 0.027 0.000 0.996 470 G CA -0.059 45.061 45.100 0.033 0.000 0.632 470 G HN 0.711 nan 8.290 nan 0.000 0.503 471 D N 1.528 121.942 120.400 0.024 0.000 2.487 471 D HA 0.362 5.002 4.640 -0.000 0.000 0.243 471 D C 0.470 176.788 176.300 0.030 0.000 1.154 471 D CA 0.474 54.486 54.000 0.019 0.000 0.876 471 D CB 0.875 41.680 40.800 0.009 0.000 1.161 471 D HN 0.506 nan 8.370 nan 0.000 0.478 472 E N 2.473 122.686 120.200 0.021 0.000 2.167 472 E HA 0.332 4.682 4.350 -0.000 0.000 0.284 472 E C -0.377 176.234 176.600 0.018 0.000 1.016 472 E CA -0.451 55.960 56.400 0.018 0.000 0.817 472 E CB 0.600 30.305 29.700 0.009 0.000 1.080 472 E HN 0.350 nan 8.360 nan 0.000 0.397 473 L N 3.146 124.381 121.223 0.019 0.000 2.293 473 L HA 0.620 4.960 4.340 -0.000 0.000 0.264 473 L C -0.853 176.004 176.870 -0.023 0.000 1.029 473 L CA -1.356 53.493 54.840 0.015 0.000 0.897 473 L CB 0.778 42.868 42.059 0.052 0.000 1.497 473 L HN 0.430 nan 8.230 nan 0.000 0.495 474 L N 0.183 121.379 121.223 -0.045 0.000 2.410 474 L HA 0.451 4.791 4.340 -0.000 0.000 0.270 474 L C -0.940 175.862 176.870 -0.113 0.000 0.983 474 L CA -0.212 54.586 54.840 -0.070 0.000 0.822 474 L CB 1.666 43.694 42.059 -0.051 0.000 1.285 474 L HN 0.637 nan 8.230 nan 0.000 0.409 475 C N 4.794 124.013 119.300 -0.135 0.000 2.256 475 C HA 0.305 4.765 4.460 -0.000 0.000 0.333 475 C C 1.538 176.459 174.990 -0.116 0.000 1.183 475 C CA -0.294 58.626 59.018 -0.164 0.000 1.692 475 C CB -0.688 26.919 27.740 -0.223 0.000 2.274 475 C HN 1.046 nan 8.230 nan 0.000 0.509 476 E N 2.823 122.967 120.200 -0.093 0.000 2.023 476 E HA -0.121 4.229 4.350 -0.000 0.000 0.196 476 E C 0.537 177.088 176.600 -0.081 0.000 1.003 476 E CA 1.368 57.721 56.400 -0.078 0.000 0.809 476 E CB 0.231 29.888 29.700 -0.072 0.000 0.755 476 E HN 0.869 nan 8.360 nan 0.000 0.449 477 K N -2.029 118.333 120.400 -0.062 0.000 2.556 477 K HA 0.588 4.908 4.320 -0.000 0.000 0.289 477 K C -0.764 175.855 176.600 0.031 0.000 1.040 477 K CA -0.878 55.377 56.287 -0.053 0.000 0.894 477 K CB 1.465 33.904 32.500 -0.100 0.000 1.547 477 K HN 0.045 nan 8.250 nan 0.000 0.417 478 G N 0.161 108.978 108.800 0.029 0.000 2.519 478 G HA2 0.585 4.544 3.960 -0.000 0.000 0.307 478 G HA3 0.585 4.544 3.960 -0.000 0.000 0.307 478 G C -1.618 173.340 174.900 0.096 0.000 1.266 478 G CA -0.797 44.350 45.100 0.079 0.000 0.970 478 G HN 0.738 nan 8.290 nan 0.000 0.481 479 E N -0.200 120.084 120.200 0.139 0.000 2.288 479 E HA 0.578 4.928 4.350 -0.000 0.000 0.268 479 E C -1.240 175.413 176.600 0.088 0.000 0.885 479 E CA -0.954 55.509 56.400 0.106 0.000 0.767 479 E CB 2.458 32.253 29.700 0.158 0.000 1.220 479 E HN 0.205 nan 8.360 nan 0.000 0.427 480 V N 2.640 122.588 119.914 0.057 0.000 2.432 480 V HA 0.129 4.249 4.120 -0.000 0.000 0.271 480 V C -0.035 176.116 176.094 0.095 0.000 1.046 480 V CA -0.660 61.681 62.300 0.068 0.000 0.945 480 V CB 1.026 32.845 31.823 -0.008 0.000 0.992 480 V HN 0.530 nan 8.190 nan 0.000 0.471 481 V N 5.352 125.336 119.914 0.116 0.000 2.432 481 V HA 0.271 4.391 4.120 -0.000 0.000 0.275 481 V C 0.360 176.511 176.094 0.094 0.000 1.043 481 V CA -0.616 61.731 62.300 0.077 0.000 0.925 481 V CB 1.170 33.013 31.823 0.033 0.000 0.985 481 V HN 0.881 nan 8.190 nan 0.000 0.466 482 E N 5.862 126.100 120.200 0.063 0.000 2.081 482 E HA 0.484 4.834 4.350 -0.000 0.000 0.281 482 E C -0.510 175.980 176.600 -0.184 0.000 0.986 482 E CA -0.429 55.989 56.400 0.031 0.000 0.796 482 E CB 1.308 31.076 29.700 0.113 0.000 1.085 482 E HN 0.522 nan 8.360 nan 0.000 0.398 483 R N 2.093 122.309 120.500 -0.473 0.000 2.888 483 R HA 0.375 4.715 4.340 -0.000 0.000 0.266 483 R C -0.518 175.457 176.300 -0.542 0.000 1.020 483 R CA -0.831 54.932 56.100 -0.561 0.000 0.963 483 R CB 2.294 32.101 30.300 -0.822 0.000 1.197 483 R HN 0.583 nan 8.270 nan 0.000 0.481 484 Q N -0.885 118.821 119.800 -0.157 0.000 2.379 484 Q HA 0.364 4.704 4.340 -0.000 0.000 0.278 484 Q C -0.996 175.187 176.000 0.305 0.000 1.068 484 Q CA -1.026 54.849 55.803 0.121 0.000 0.816 484 Q CB 1.812 30.560 28.738 0.017 0.000 1.387 484 Q HN 0.612 nan 8.270 nan 0.000 0.413 485 T N 0.590 115.329 114.554 0.308 0.000 2.928 485 T HA 0.123 4.473 4.350 -0.000 0.000 0.305 485 T C 0.019 174.818 174.700 0.166 0.000 1.035 485 T CA -0.544 61.683 62.100 0.212 0.000 1.145 485 T CB 0.618 69.610 68.868 0.206 0.000 0.963 485 T HN 0.504 nan 8.240 nan 0.000 0.545 486 Q N 3.096 122.981 119.800 0.141 0.000 2.241 486 Q HA 0.375 4.715 4.340 -0.000 0.000 0.254 486 Q C -2.071 174.000 176.000 0.120 0.000 0.917 486 Q CA -1.926 53.936 55.803 0.099 0.000 0.919 486 Q CB 1.250 30.023 28.738 0.059 0.000 1.237 486 Q HN 0.640 nan 8.270 nan 0.000 0.434 487 P HA 0.305 nan 4.420 nan 0.000 0.274 487 P C -2.468 174.820 177.300 -0.021 0.000 1.231 487 P CA -1.225 61.926 63.100 0.085 0.000 0.790 487 P CB -0.271 31.465 31.700 0.059 0.000 0.951 488 P HA 0.280 nan 4.420 nan 0.000 0.272 488 P C -0.016 177.178 177.300 -0.176 0.000 1.240 488 P CA -0.278 62.740 63.100 -0.137 0.000 0.791 488 P CB 0.560 32.149 31.700 -0.186 0.000 0.978 489 R N 0.356 120.767 120.500 -0.149 0.000 2.582 489 R HA 0.232 4.572 4.340 -0.000 0.000 0.271 489 R C 0.395 176.565 176.300 -0.218 0.000 1.078 489 R CA -0.305 55.726 56.100 -0.115 0.000 1.127 489 R CB -0.008 30.324 30.300 0.054 0.000 1.038 489 R HN 0.581 nan 8.270 nan 0.000 0.500 490 H N 0.469 119.436 119.070 -0.172 0.000 2.822 490 H HA -0.004 4.552 4.556 -0.000 0.000 0.373 490 H C -0.116 175.269 175.328 0.096 0.000 1.223 490 H CA 0.576 56.563 56.048 -0.101 0.000 1.436 490 H CB 0.374 30.059 29.762 -0.128 0.000 1.439 490 H HN 0.341 nan 8.280 nan 0.000 0.618 491 F N -0.178 119.940 119.950 0.281 0.000 2.444 491 F HA 0.166 4.693 4.527 -0.000 0.000 0.331 491 F C 1.185 177.143 175.800 0.264 0.000 1.167 491 F CA 0.619 58.749 58.000 0.217 0.000 1.262 491 F CB 0.928 39.995 39.000 0.112 0.000 1.196 491 F HN 0.388 nan 8.300 nan 0.000 0.583 492 T N -0.011 114.772 114.554 0.382 0.000 2.864 492 T HA 0.216 4.566 4.350 -0.000 0.000 0.289 492 T C 0.335 175.119 174.700 0.140 0.000 1.082 492 T CA -0.641 61.551 62.100 0.153 0.000 1.009 492 T CB 1.230 70.051 68.868 -0.078 0.000 1.234 492 T HN 0.550 nan 8.240 nan 0.000 0.526 493 D N 1.009 121.447 120.400 0.063 0.000 2.158 493 D HA -0.032 4.608 4.640 -0.000 0.000 0.197 493 D C 2.011 178.333 176.300 0.037 0.000 0.995 493 D CA 1.617 55.642 54.000 0.041 0.000 0.846 493 D CB -0.152 40.644 40.800 -0.006 0.000 0.941 493 D HN 0.536 nan 8.370 nan 0.000 0.456 494 A N 0.428 123.271 122.820 0.037 0.000 1.897 494 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 494 A C 2.344 179.978 177.584 0.082 0.000 1.181 494 A CA 2.113 54.175 52.037 0.041 0.000 0.620 494 A CB -1.128 17.889 19.000 0.027 0.000 0.821 494 A HN 0.375 nan 8.150 nan 0.000 0.443 495 T N -2.045 112.600 114.554 0.151 0.000 2.857 495 T HA -0.071 4.278 4.350 -0.000 0.000 0.266 495 T C 1.749 176.603 174.700 0.255 0.000 1.048 495 T CA 1.326 63.587 62.100 0.267 0.000 1.139 495 T CB -0.411 68.687 68.868 0.383 0.000 0.874 495 T HN 0.126 nan 8.240 nan 0.000 0.455 496 L N 0.900 122.184 121.223 0.101 0.000 2.046 496 L HA 0.191 4.531 4.340 -0.000 0.000 0.208 496 L C 2.363 179.136 176.870 -0.162 0.000 1.077 496 L CA 1.344 56.022 54.840 -0.271 0.000 0.747 496 L CB -0.867 41.038 42.059 -0.257 0.000 0.896 496 L HN 0.294 nan 8.230 nan 0.000 0.432 497 L N -1.104 120.090 121.223 -0.048 0.000 2.017 497 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 497 L C 2.553 179.416 176.870 -0.012 0.000 1.073 497 L CA 1.611 56.432 54.840 -0.032 0.000 0.745 497 L CB -0.788 41.265 42.059 -0.010 0.000 0.894 497 L HN 0.388 nan 8.230 nan 0.000 0.432 498 S N 0.041 115.761 115.700 0.033 0.000 2.383 498 S HA -0.136 4.334 4.470 -0.000 0.000 0.227 498 S C 2.174 176.834 174.600 0.099 0.000 1.026 498 S CA 0.809 59.050 58.200 0.069 0.000 0.981 498 S CB -0.562 62.697 63.200 0.098 0.000 0.818 498 S HN 0.400 nan 8.310 nan 0.000 0.472 499 A N 2.344 125.219 122.820 0.092 0.000 1.908 499 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 499 A C 2.320 179.867 177.584 -0.062 0.000 1.181 499 A CA 1.787 53.850 52.037 0.044 0.000 0.627 499 A CB -0.788 18.074 19.000 -0.229 0.000 0.818 499 A HN 0.530 nan 8.150 nan 0.000 0.445 500 M N -0.251 119.285 119.600 -0.107 0.000 2.086 500 M HA -0.144 4.336 4.480 -0.000 0.000 0.261 500 M C 2.435 178.717 176.300 -0.030 0.000 1.067 500 M CA 2.161 57.406 55.300 -0.091 0.000 1.116 500 M CB -0.843 31.701 32.600 -0.093 0.000 1.348 500 M HN 0.687 nan 8.290 nan 0.000 0.407 501 T N -1.787 112.764 114.554 -0.005 0.000 2.737 501 T HA -0.038 4.312 4.350 -0.000 0.000 0.265 501 T C 1.557 176.280 174.700 0.038 0.000 1.038 501 T CA 1.247 63.354 62.100 0.012 0.000 1.144 501 T CB -1.096 67.778 68.868 0.011 0.000 0.866 501 T HN 0.498 nan 8.240 nan 0.000 0.434 502 G N 0.593 109.436 108.800 0.072 0.000 3.741 502 G HA2 0.424 4.384 3.960 -0.000 0.000 0.263 502 G HA3 0.424 4.384 3.960 -0.000 0.000 0.263 502 G C 0.738 175.750 174.900 0.186 0.000 1.175 502 G CA -0.443 44.723 45.100 0.109 0.000 1.642 502 G HN 0.378 nan 8.290 nan 0.000 0.644 503 I N 1.247 121.894 120.570 0.129 0.000 2.394 503 I HA -0.032 4.138 4.170 -0.000 0.000 0.251 503 I C 2.695 178.937 176.117 0.209 0.000 1.136 503 I CA 1.350 62.744 61.300 0.157 0.000 1.425 503 I CB 0.149 38.163 38.000 0.024 0.000 1.079 503 I HN 0.277 nan 8.210 nan 0.000 0.425 504 A N 0.069 122.957 122.820 0.113 0.000 2.032 504 A HA -0.235 4.085 4.320 -0.000 0.000 0.221 504 A C 2.167 179.785 177.584 0.055 0.000 1.165 504 A CA 1.470 53.547 52.037 0.066 0.000 0.645 504 A CB -0.643 18.373 19.000 0.027 0.000 0.807 504 A HN 0.354 nan 8.150 nan 0.000 0.453 505 R N -1.338 119.198 120.500 0.061 0.000 2.340 505 R HA 0.172 4.512 4.340 -0.000 0.000 0.215 505 R C -0.350 175.745 176.300 -0.342 0.000 1.017 505 R CA 0.106 56.136 56.100 -0.117 0.000 1.111 505 R CB -1.097 29.109 30.300 -0.158 0.000 1.049 505 R HN 0.521 nan 8.270 nan 0.000 0.490 506 F N -1.906 118.043 119.950 -0.001 0.000 2.856 506 F HA 0.195 4.722 4.527 -0.000 0.000 0.338 506 F C 0.152 175.947 175.800 -0.009 0.000 1.100 506 F CA -0.504 57.497 58.000 0.003 0.000 1.150 506 F CB 0.917 39.929 39.000 0.020 0.000 1.101 506 F HN -0.154 nan 8.300 nan 0.000 0.548 507 V N -1.875 118.105 119.914 0.110 0.000 2.815 507 V HA 0.496 4.616 4.120 -0.000 0.000 0.314 507 V C 0.540 176.641 176.094 0.011 0.000 1.064 507 V CA -0.541 61.791 62.300 0.053 0.000 0.952 507 V CB 2.148 33.988 31.823 0.029 0.000 1.020 507 V HN 0.019 nan 8.190 nan 0.000 0.439 508 Q N 0.585 120.388 119.800 0.005 0.000 2.134 508 Q HA 0.068 4.408 4.340 -0.000 0.000 0.195 508 Q C 0.768 176.762 176.000 -0.010 0.000 0.958 508 Q CA 0.781 56.579 55.803 -0.009 0.000 0.840 508 Q CB -0.124 28.610 28.738 -0.007 0.000 0.918 508 Q HN 0.993 nan 8.270 nan 0.000 0.467 509 D N 1.652 122.050 120.400 -0.003 0.000 2.571 509 D HA -0.108 4.532 4.640 -0.000 0.000 0.231 509 D C 0.770 177.063 176.300 -0.011 0.000 1.133 509 D CA 0.528 54.527 54.000 -0.002 0.000 0.862 509 D CB 0.911 41.716 40.800 0.007 0.000 1.179 509 D HN -0.002 nan 8.370 nan 0.000 0.474 510 K N 2.792 123.187 120.400 -0.009 0.000 1.984 510 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 510 K C 1.478 178.070 176.600 -0.015 0.000 1.046 510 K CA 1.289 57.568 56.287 -0.013 0.000 0.934 510 K CB -0.011 32.483 32.500 -0.011 0.000 0.717 510 K HN 0.534 nan 8.250 nan 0.000 0.438 511 D N 1.283 121.677 120.400 -0.010 0.000 2.133 511 D HA -0.201 4.439 4.640 -0.000 0.000 0.195 511 D C 2.016 178.299 176.300 -0.028 0.000 0.997 511 D CA 1.242 55.235 54.000 -0.012 0.000 0.840 511 D CB -0.351 40.449 40.800 -0.000 0.000 0.947 511 D HN 0.206 nan 8.370 nan 0.000 0.452 512 L N 0.444 121.640 121.223 -0.044 0.000 2.201 512 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 512 L C 2.480 179.319 176.870 -0.052 0.000 1.105 512 L CA 0.781 55.573 54.840 -0.079 0.000 0.775 512 L CB -0.334 41.650 42.059 -0.125 0.000 0.913 512 L HN -0.048 nan 8.230 nan 0.000 0.440 513 K N 0.696 121.078 120.400 -0.031 0.000 2.026 513 K HA -0.240 4.080 4.320 -0.000 0.000 0.208 513 K C 2.207 178.798 176.600 -0.015 0.000 1.048 513 K CA 1.594 57.870 56.287 -0.019 0.000 0.929 513 K CB -0.060 32.430 32.500 -0.018 0.000 0.713 513 K HN 0.026 nan 8.250 nan 0.000 0.439 514 K N 1.419 121.809 120.400 -0.017 0.000 2.057 514 K HA -0.073 4.247 4.320 -0.000 0.000 0.207 514 K C 1.859 178.453 176.600 -0.010 0.000 1.049 514 K CA 1.083 57.363 56.287 -0.011 0.000 0.931 514 K CB -0.145 32.348 32.500 -0.012 0.000 0.714 514 K HN 0.064 nan 8.250 nan 0.000 0.440 515 I N 0.345 120.903 120.570 -0.019 0.000 2.142 515 I HA -0.289 3.881 4.170 -0.000 0.000 0.240 515 I C 2.149 178.258 176.117 -0.014 0.000 1.078 515 I CA 1.174 62.463 61.300 -0.018 0.000 1.343 515 I CB -0.257 37.724 38.000 -0.031 0.000 1.046 515 I HN 0.139 nan 8.210 nan 0.000 0.405 516 L N 0.097 121.306 121.223 -0.023 0.000 2.012 516 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 516 L C 2.799 179.670 176.870 0.002 0.000 1.073 516 L CA 1.547 56.377 54.840 -0.015 0.000 0.748 516 L CB -0.536 41.511 42.059 -0.020 0.000 0.891 516 L HN 0.162 nan 8.230 nan 0.000 0.431 517 R N -0.547 119.957 120.500 0.007 0.000 2.092 517 R HA -0.126 4.214 4.340 -0.000 0.000 0.231 517 R C 2.334 178.648 176.300 0.022 0.000 1.119 517 R CA 1.209 57.318 56.100 0.016 0.000 0.970 517 R CB -0.337 29.971 30.300 0.014 0.000 0.864 517 R HN 0.376 nan 8.270 nan 0.000 0.440 518 A N 0.329 123.161 122.820 0.020 0.000 2.019 518 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 518 A C 1.779 179.383 177.584 0.033 0.000 1.164 518 A CA 1.854 53.908 52.037 0.028 0.000 0.644 518 A CB -0.333 18.676 19.000 0.015 0.000 0.805 518 A HN 0.463 nan 8.150 nan 0.000 0.449 519 T N -4.080 110.490 114.554 0.026 0.000 3.214 519 T HA 0.356 4.706 4.350 -0.000 0.000 0.264 519 T C 0.108 174.827 174.700 0.033 0.000 1.012 519 T CA 0.566 62.686 62.100 0.033 0.000 0.901 519 T CB -0.126 68.758 68.868 0.026 0.000 1.070 519 T HN 0.411 nan 8.240 nan 0.000 0.561 520 D N 0.521 120.940 120.400 0.031 0.000 2.716 520 D HA -0.064 4.576 4.640 -0.000 0.000 0.239 520 D C 1.051 177.360 176.300 0.015 0.000 1.125 520 D CA 1.579 55.594 54.000 0.026 0.000 0.681 520 D CB -1.336 39.484 40.800 0.032 0.000 1.070 520 D HN 0.995 nan 8.370 nan 0.000 0.432 521 G N -0.727 108.080 108.800 0.011 0.000 2.556 521 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.283 521 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.283 521 G C -0.347 174.545 174.900 -0.014 0.000 1.177 521 G CA 0.163 45.264 45.100 0.002 0.000 0.978 521 G HN 1.249 nan 8.290 nan 0.000 0.554 522 L N 1.346 122.554 121.223 -0.024 0.000 2.372 522 L HA 0.705 5.045 4.340 -0.000 0.000 0.273 522 L C 0.779 177.628 176.870 -0.035 0.000 0.989 522 L CA 1.645 56.459 54.840 -0.043 0.000 0.841 522 L CB 0.947 42.966 42.059 -0.067 0.000 1.225 522 L HN 2.823 nan 8.230 nan 0.000 0.414 523 G N 2.756 111.542 108.800 -0.023 0.000 2.698 523 G HA2 0.014 3.974 3.960 -0.000 0.000 0.225 523 G HA3 0.014 3.974 3.960 -0.000 0.000 0.225 523 G C -0.346 174.556 174.900 0.003 0.000 1.345 523 G CA -0.226 44.870 45.100 -0.006 0.000 0.871 523 G HN 1.203 nan 8.290 nan 0.000 0.540 524 T N -3.133 111.425 114.554 0.008 0.000 2.926 524 T HA 0.687 5.037 4.350 -0.000 0.000 0.289 524 T C 1.250 175.946 174.700 -0.006 0.000 1.054 524 T CA 0.585 62.689 62.100 0.006 0.000 1.015 524 T CB 1.891 70.768 68.868 0.016 0.000 1.167 524 T HN 0.962 nan 8.240 nan 0.000 0.526 525 E N 1.166 121.355 120.200 -0.018 0.000 2.171 525 E HA -0.069 4.281 4.350 -0.000 0.000 0.197 525 E C 1.959 178.544 176.600 -0.023 0.000 0.997 525 E CA 1.651 58.033 56.400 -0.030 0.000 0.810 525 E CB -0.807 28.861 29.700 -0.053 0.000 0.738 525 E HN 0.757 nan 8.360 nan 0.000 0.467 526 A N 0.493 123.305 122.820 -0.014 0.000 2.178 526 A HA 0.040 4.360 4.320 -0.000 0.000 0.211 526 A C 2.139 179.728 177.584 0.009 0.000 1.157 526 A CA 1.147 53.182 52.037 -0.004 0.000 0.780 526 A CB -0.445 18.557 19.000 0.003 0.000 0.828 526 A HN 0.372 nan 8.150 nan 0.000 0.476 527 T N -3.498 111.063 114.554 0.011 0.000 3.023 527 T HA 0.089 4.439 4.350 -0.000 0.000 0.249 527 T C 1.840 176.548 174.700 0.013 0.000 1.050 527 T CA 0.322 62.433 62.100 0.019 0.000 1.088 527 T CB -0.205 68.680 68.868 0.027 0.000 0.946 527 T HN 0.397 nan 8.240 nan 0.000 0.480 528 R N 1.457 121.958 120.500 0.002 0.000 2.091 528 R HA 0.080 4.420 4.340 -0.000 0.000 0.238 528 R C 2.858 179.159 176.300 0.002 0.000 1.136 528 R CA 1.525 57.623 56.100 -0.005 0.000 0.959 528 R CB -0.641 29.649 30.300 -0.016 0.000 0.856 528 R HN 0.517 nan 8.270 nan 0.000 0.437 529 A N 0.613 123.434 122.820 0.002 0.000 1.898 529 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 529 A C 2.399 179.995 177.584 0.019 0.000 1.181 529 A CA 1.558 53.598 52.037 0.005 0.000 0.620 529 A CB -0.975 18.021 19.000 -0.006 0.000 0.819 529 A HN 0.459 nan 8.150 nan 0.000 0.442 530 G N -0.042 108.770 108.800 0.020 0.000 2.422 530 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.218 530 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.218 530 G C 1.409 176.336 174.900 0.044 0.000 1.140 530 G CA 1.005 46.123 45.100 0.030 0.000 0.775 530 G HN 0.382 nan 8.290 nan 0.000 0.545 531 I N 0.797 121.392 120.570 0.040 0.000 2.226 531 I HA -0.128 4.042 4.170 -0.000 0.000 0.245 531 I C 2.743 178.901 176.117 0.069 0.000 1.100 531 I CA 1.134 62.462 61.300 0.046 0.000 1.374 531 I CB -0.688 37.328 38.000 0.026 0.000 1.057 531 I HN 0.188 nan 8.210 nan 0.000 0.413 532 I N 0.743 121.361 120.570 0.080 0.000 2.252 532 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 532 I C 2.473 178.754 176.117 0.274 0.000 1.102 532 I CA 1.229 62.624 61.300 0.159 0.000 1.385 532 I CB -0.348 37.738 38.000 0.143 0.000 1.064 532 I HN 0.208 nan 8.210 nan 0.000 0.414 533 E N 0.866 121.163 120.200 0.161 0.000 2.058 533 E HA -0.279 4.071 4.350 -0.000 0.000 0.194 533 E C 2.248 178.934 176.600 0.143 0.000 0.997 533 E CA 1.387 57.869 56.400 0.138 0.000 0.801 533 E CB -0.243 29.485 29.700 0.046 0.000 0.746 533 E HN 0.406 nan 8.360 nan 0.000 0.450 534 L N 0.797 122.073 121.223 0.088 0.000 2.013 534 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 534 L C 2.202 179.075 176.870 0.006 0.000 1.073 534 L CA 1.353 56.220 54.840 0.044 0.000 0.753 534 L CB -0.119 41.968 42.059 0.046 0.000 0.890 534 L HN 0.170 nan 8.230 nan 0.000 0.432 535 L N -1.708 119.545 121.223 0.049 0.000 2.141 535 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 535 L C 2.301 179.093 176.870 -0.129 0.000 1.094 535 L CA 1.168 56.000 54.840 -0.014 0.000 0.763 535 L CB -0.526 41.563 42.059 0.050 0.000 0.908 535 L HN 0.178 nan 8.230 nan 0.000 0.437 536 F N 0.416 120.346 119.950 -0.033 0.000 2.163 536 F HA -0.182 4.345 4.527 -0.000 0.000 0.297 536 F C 2.633 178.389 175.800 -0.074 0.000 1.094 536 F CA 1.413 59.395 58.000 -0.029 0.000 1.290 536 F CB -0.236 38.760 39.000 -0.007 0.000 1.017 536 F HN -0.077 nan 8.300 nan 0.000 0.483 537 K N 0.638 121.098 120.400 0.099 0.000 2.063 537 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 537 K C 1.968 178.497 176.600 -0.118 0.000 1.048 537 K CA 1.397 57.684 56.287 -0.001 0.000 0.928 537 K CB -0.110 32.388 32.500 -0.004 0.000 0.713 537 K HN -0.078 nan 8.250 nan 0.000 0.442 538 R N -0.575 119.753 120.500 -0.287 0.000 2.235 538 R HA 0.036 4.376 4.340 -0.000 0.000 0.213 538 R C 0.917 176.883 176.300 -0.557 0.000 1.059 538 R CA 0.972 56.706 56.100 -0.610 0.000 0.997 538 R CB -0.529 28.962 30.300 -1.350 0.000 0.884 538 R HN 0.568 nan 8.270 nan 0.000 0.462 539 G N 0.866 109.493 108.800 -0.289 0.000 2.198 539 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.257 539 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.257 539 G C 0.288 175.232 174.900 0.073 0.000 1.042 539 G CA 0.022 45.082 45.100 -0.066 0.000 0.791 539 G HN 0.256 nan 8.290 nan 0.000 0.502 540 F N -0.596 119.312 119.950 -0.071 0.000 2.619 540 F HA 0.453 4.980 4.527 -0.000 0.000 0.293 540 F C 1.559 177.236 175.800 -0.205 0.000 1.119 540 F CA -0.171 57.767 58.000 -0.103 0.000 1.445 540 F CB 0.062 39.007 39.000 -0.092 0.000 1.119 540 F HN 0.181 nan 8.300 nan 0.000 0.573 541 L N -0.703 120.379 121.223 -0.236 0.000 2.354 541 L HA 0.628 4.968 4.340 -0.000 0.000 0.264 541 L C 0.059 176.622 176.870 -0.512 0.000 1.008 541 L CA -0.564 53.943 54.840 -0.554 0.000 0.819 541 L CB 2.281 43.612 42.059 -1.212 0.000 1.339 541 L HN -0.084 nan 8.230 nan 0.000 0.420 542 T N -1.733 112.739 114.554 -0.138 0.000 2.618 542 T HA 0.605 4.955 4.350 -0.000 0.000 0.286 542 T C -0.979 173.970 174.700 0.414 0.000 1.027 542 T CA -1.083 61.166 62.100 0.249 0.000 1.063 542 T CB 2.119 71.066 68.868 0.132 0.000 1.440 542 T HN 0.431 nan 8.240 nan 0.000 0.505 543 K N 0.464 121.030 120.400 0.277 0.000 2.468 543 K HA 0.402 4.722 4.320 -0.000 0.000 0.252 543 K C 0.430 177.044 176.600 0.023 0.000 0.932 543 K CA -0.862 55.534 56.287 0.182 0.000 0.794 543 K CB 2.542 35.135 32.500 0.155 0.000 1.241 543 K HN 0.808 nan 8.250 nan 0.000 0.428 544 K N 0.187 120.562 120.400 -0.043 0.000 2.242 544 K HA 0.173 4.493 4.320 -0.000 0.000 0.200 544 K C 0.828 177.441 176.600 0.021 0.000 1.050 544 K CA 0.638 56.875 56.287 -0.083 0.000 0.981 544 K CB 0.554 32.922 32.500 -0.219 0.000 0.795 544 K HN 0.624 nan 8.250 nan 0.000 0.477 545 G N 0.580 109.435 108.800 0.092 0.000 3.409 545 G HA2 0.109 4.069 3.960 -0.000 0.000 0.168 545 G HA3 0.109 4.069 3.960 -0.000 0.000 0.168 545 G C 0.219 175.153 174.900 0.057 0.000 1.403 545 G CA -0.463 44.689 45.100 0.086 0.000 1.195 545 G HN 0.028 nan 8.290 nan 0.000 0.751 546 R N -0.620 119.893 120.500 0.022 0.000 2.334 546 R HA 0.332 4.672 4.340 -0.000 0.000 0.216 546 R C -0.446 175.793 176.300 -0.103 0.000 0.905 546 R CA -0.211 55.836 56.100 -0.089 0.000 1.064 546 R CB -0.010 30.177 30.300 -0.189 0.000 1.046 546 R HN 0.393 nan 8.270 nan 0.000 0.508 547 Y N 0.354 120.723 120.300 0.114 0.000 2.308 547 Y HA 0.261 4.811 4.550 -0.000 0.000 0.329 547 Y C 0.332 176.388 175.900 0.259 0.000 1.111 547 Y CA -0.611 57.596 58.100 0.178 0.000 1.179 547 Y CB 1.051 39.608 38.460 0.163 0.000 1.201 547 Y HN -0.111 nan 8.280 nan 0.000 0.483 548 I N 4.527 125.374 120.570 0.462 0.000 2.325 548 I HA 0.178 4.348 4.170 -0.000 0.000 0.291 548 I C 0.244 176.587 176.117 0.376 0.000 1.019 548 I CA -0.119 61.442 61.300 0.436 0.000 1.302 548 I CB 0.258 38.489 38.000 0.386 0.000 1.401 548 I HN 0.617 nan 8.210 nan 0.000 0.485 549 H N 3.492 122.640 119.070 0.130 0.000 2.649 549 H HA 0.518 5.074 4.556 -0.000 0.000 0.337 549 H C -0.248 175.083 175.328 0.005 0.000 1.282 549 H CA -0.792 55.296 56.048 0.067 0.000 1.333 549 H CB 2.225 31.988 29.762 0.003 0.000 1.787 549 H HN 0.569 nan 8.280 nan 0.000 0.632 550 S N 0.266 116.029 115.700 0.104 0.000 2.473 550 S HA 0.280 4.750 4.470 -0.000 0.000 0.307 550 S C 0.091 174.720 174.600 0.048 0.000 1.094 550 S CA -0.942 57.267 58.200 0.015 0.000 1.070 550 S CB 1.537 64.701 63.200 -0.061 0.000 1.019 550 S HN 0.693 nan 8.310 nan 0.000 0.480 551 T N -0.097 114.483 114.554 0.045 0.000 2.816 551 T HA 0.308 4.658 4.350 -0.000 0.000 0.282 551 T C 0.484 175.218 174.700 0.057 0.000 0.993 551 T CA -0.510 61.631 62.100 0.068 0.000 0.994 551 T CB 0.165 69.088 68.868 0.091 0.000 1.025 551 T HN 0.530 nan 8.240 nan 0.000 0.529 552 D N 0.494 120.934 120.400 0.067 0.000 2.221 552 D HA -0.091 4.549 4.640 -0.000 0.000 0.204 552 D C 2.206 178.535 176.300 0.047 0.000 0.982 552 D CA 1.466 55.501 54.000 0.057 0.000 0.857 552 D CB -0.491 40.349 40.800 0.067 0.000 0.934 552 D HN 0.717 nan 8.370 nan 0.000 0.475 553 A N 0.908 123.776 122.820 0.080 0.000 1.872 553 A HA 0.034 4.354 4.320 -0.000 0.000 0.214 553 A C 2.428 179.980 177.584 -0.054 0.000 1.187 553 A CA 1.838 53.908 52.037 0.056 0.000 0.614 553 A CB -1.035 18.096 19.000 0.218 0.000 0.826 553 A HN 0.283 nan 8.150 nan 0.000 0.442 554 G N -0.067 108.721 108.800 -0.019 0.000 2.440 554 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 554 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 554 G C 1.672 176.443 174.900 -0.215 0.000 1.154 554 G CA 1.224 46.178 45.100 -0.242 0.000 0.767 554 G HN 0.580 nan 8.290 nan 0.000 0.552 555 K N 0.539 120.866 120.400 -0.121 0.000 2.057 555 K HA 0.045 4.364 4.320 -0.000 0.000 0.207 555 K C 2.946 179.520 176.600 -0.043 0.000 1.049 555 K CA 1.044 57.260 56.287 -0.118 0.000 0.931 555 K CB -0.218 32.269 32.500 -0.022 0.000 0.714 555 K HN 0.280 nan 8.250 nan 0.000 0.440 556 A N 1.299 124.102 122.820 -0.028 0.000 1.898 556 A HA -0.130 4.189 4.320 -0.000 0.000 0.216 556 A C 2.097 179.632 177.584 -0.083 0.000 1.181 556 A CA 1.016 53.023 52.037 -0.050 0.000 0.620 556 A CB -0.475 18.482 19.000 -0.071 0.000 0.819 556 A HN 0.224 nan 8.150 nan 0.000 0.442 557 L N -1.270 119.901 121.223 -0.087 0.000 1.994 557 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 557 L C 2.212 178.999 176.870 -0.138 0.000 1.071 557 L CA 2.410 57.194 54.840 -0.092 0.000 0.745 557 L CB -0.871 40.969 42.059 -0.365 0.000 0.892 557 L HN 0.445 nan 8.230 nan 0.000 0.431 558 F N -0.038 119.718 119.950 -0.323 0.000 2.063 558 F HA -0.337 4.190 4.527 -0.000 0.000 0.298 558 F C 2.579 178.218 175.800 -0.269 0.000 1.109 558 F CA 2.304 60.101 58.000 -0.339 0.000 1.212 558 F CB -0.501 38.235 39.000 -0.440 0.000 0.973 558 F HN 0.290 nan 8.300 nan 0.000 0.480 559 H N -0.466 118.623 119.070 0.032 0.000 2.491 559 H HA -0.039 4.517 4.556 -0.000 0.000 0.290 559 H C 2.499 177.721 175.328 -0.176 0.000 1.050 559 H CA 1.317 57.320 56.048 -0.076 0.000 1.309 559 H CB -0.726 29.045 29.762 0.014 0.000 1.392 559 H HN 0.405 nan 8.280 nan 0.000 0.554 560 S N -0.102 115.552 115.700 -0.078 0.000 2.527 560 S HA 0.073 4.543 4.470 -0.000 0.000 0.222 560 S C 0.925 175.520 174.600 -0.008 0.000 0.985 560 S CA -0.136 58.032 58.200 -0.053 0.000 0.921 560 S CB -0.162 63.026 63.200 -0.021 0.000 0.772 560 S HN 0.066 nan 8.310 nan 0.000 0.529 561 L N 2.624 123.738 121.223 -0.180 0.000 2.360 561 L HA 0.503 4.843 4.340 -0.000 0.000 0.271 561 L C -2.103 174.640 176.870 -0.211 0.000 1.057 561 L CA -2.678 52.006 54.840 -0.261 0.000 0.803 561 L CB 0.832 42.636 42.059 -0.424 0.000 1.207 561 L HN 0.039 nan 8.230 nan 0.000 0.445 562 P HA -0.021 nan 4.420 nan 0.000 0.269 562 P C 0.102 177.307 177.300 -0.159 0.000 1.215 562 P CA -0.179 62.860 63.100 -0.102 0.000 0.780 562 P CB 0.811 32.491 31.700 -0.033 0.000 0.898 563 E N 1.771 121.889 120.200 -0.136 0.000 2.160 563 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 563 E C 1.757 178.293 176.600 -0.105 0.000 0.991 563 E CA 1.343 57.655 56.400 -0.147 0.000 0.810 563 E CB -0.316 29.331 29.700 -0.088 0.000 0.742 563 E HN 0.518 nan 8.360 nan 0.000 0.466 564 M N -1.598 117.964 119.600 -0.064 0.000 2.632 564 M HA 0.124 4.604 4.480 -0.000 0.000 0.256 564 M C 1.756 178.026 176.300 -0.049 0.000 1.080 564 M CA 1.506 56.781 55.300 -0.041 0.000 1.084 564 M CB 0.386 32.978 32.600 -0.013 0.000 1.439 564 M HN 0.041 nan 8.290 nan 0.000 0.509 565 A N 0.531 123.316 122.820 -0.059 0.000 2.115 565 A HA 0.093 4.413 4.320 -0.000 0.000 0.211 565 A C 2.133 179.662 177.584 -0.092 0.000 1.169 565 A CA 0.912 52.933 52.037 -0.027 0.000 0.787 565 A CB -0.545 18.436 19.000 -0.031 0.000 0.858 565 A HN 0.642 nan 8.150 nan 0.000 0.474 566 T N -2.862 111.605 114.554 -0.146 0.000 3.069 566 T HA 0.283 4.633 4.350 -0.000 0.000 0.252 566 T C 0.662 175.337 174.700 -0.042 0.000 1.053 566 T CA -0.422 61.608 62.100 -0.117 0.000 0.964 566 T CB 0.067 68.764 68.868 -0.285 0.000 1.005 566 T HN 0.114 nan 8.240 nan 0.000 0.532 567 R N 1.593 122.056 120.500 -0.061 0.000 2.758 567 R HA 0.433 4.773 4.340 -0.000 0.000 0.265 567 R C -2.318 173.936 176.300 -0.077 0.000 1.016 567 R CA -2.545 53.531 56.100 -0.040 0.000 1.040 567 R CB 0.690 30.977 30.300 -0.022 0.000 1.152 567 R HN -0.017 nan 8.270 nan 0.000 0.503 568 P HA 0.099 nan 4.420 nan 0.000 0.255 568 P C -0.081 177.141 177.300 -0.130 0.000 1.248 568 P CA 0.323 63.358 63.100 -0.108 0.000 0.807 568 P CB 0.379 32.032 31.700 -0.078 0.000 1.150 569 D N -0.168 120.179 120.400 -0.088 0.000 2.126 569 D HA -0.222 4.418 4.640 -0.000 0.000 0.190 569 D C 1.854 178.094 176.300 -0.099 0.000 1.001 569 D CA 1.314 55.261 54.000 -0.089 0.000 0.841 569 D CB -0.745 40.105 40.800 0.084 0.000 0.949 569 D HN 0.108 nan 8.370 nan 0.000 0.446 570 M N 0.163 119.720 119.600 -0.072 0.000 2.106 570 M HA -0.238 4.242 4.480 -0.000 0.000 0.259 570 M C 1.912 177.933 176.300 -0.465 0.000 1.068 570 M CA 1.584 56.750 55.300 -0.223 0.000 1.100 570 M CB -0.194 32.085 32.600 -0.535 0.000 1.351 570 M HN -0.004 nan 8.290 nan 0.000 0.404 571 T N 0.698 114.988 114.554 -0.440 0.000 2.665 571 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 571 T C 1.704 176.334 174.700 -0.116 0.000 1.035 571 T CA 1.756 63.667 62.100 -0.314 0.000 1.151 571 T CB -0.512 68.226 68.868 -0.217 0.000 0.862 571 T HN 0.629 nan 8.240 nan 0.000 0.438 572 A N 1.555 124.277 122.820 -0.163 0.000 1.883 572 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 572 A C 2.077 179.607 177.584 -0.091 0.000 1.186 572 A CA 1.665 53.606 52.037 -0.160 0.000 0.624 572 A CB -0.892 17.946 19.000 -0.270 0.000 0.822 572 A HN 0.609 nan 8.150 nan 0.000 0.444 573 H N -2.141 116.978 119.070 0.083 0.000 2.353 573 H HA -0.174 4.382 4.556 -0.000 0.000 0.300 573 H C 2.018 177.554 175.328 0.346 0.000 1.090 573 H CA 1.626 57.783 56.048 0.182 0.000 1.327 573 H CB -0.349 29.527 29.762 0.190 0.000 1.383 573 H HN 0.721 nan 8.280 nan 0.000 0.508 574 W N 1.860 123.275 121.300 0.192 0.000 2.380 574 W HA -0.079 4.581 4.660 -0.000 0.000 0.317 574 W C 2.486 179.005 176.519 -0.000 0.000 1.196 574 W CA 0.368 57.829 57.345 0.193 0.000 1.307 574 W CB -0.781 28.792 29.460 0.189 0.000 1.157 574 W HN 0.124 nan 8.180 nan 0.000 0.483 575 E N -0.030 120.310 120.200 0.234 0.000 2.097 575 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 575 E C 2.186 178.813 176.600 0.045 0.000 1.000 575 E CA 1.780 58.232 56.400 0.086 0.000 0.804 575 E CB -1.160 28.574 29.700 0.055 0.000 0.740 575 E HN 0.178 nan 8.360 nan 0.000 0.454 576 S N 0.220 115.962 115.700 0.071 0.000 2.365 576 S HA -0.156 4.314 4.470 -0.000 0.000 0.225 576 S C 2.122 176.748 174.600 0.043 0.000 1.039 576 S CA 1.627 59.861 58.200 0.057 0.000 1.033 576 S CB -0.111 63.140 63.200 0.084 0.000 0.887 576 S HN 0.103 nan 8.310 nan 0.000 0.447 577 V N 1.827 121.775 119.914 0.058 0.000 2.488 577 V HA -0.019 4.101 4.120 -0.000 0.000 0.246 577 V C 2.333 178.340 176.094 -0.145 0.000 1.046 577 V CA 1.375 63.678 62.300 0.005 0.000 1.053 577 V CB -0.681 31.220 31.823 0.131 0.000 0.679 577 V HN 0.449 nan 8.190 nan 0.000 0.458 578 L N -0.037 121.041 121.223 -0.241 0.000 2.083 578 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 578 L C 2.630 179.437 176.870 -0.105 0.000 1.083 578 L CA 1.876 56.559 54.840 -0.263 0.000 0.752 578 L CB -1.106 40.803 42.059 -0.249 0.000 0.899 578 L HN 0.341 nan 8.230 nan 0.000 0.433 579 T N -1.146 113.376 114.554 -0.053 0.000 2.746 579 T HA -0.225 4.125 4.350 -0.000 0.000 0.267 579 T C 1.895 176.587 174.700 -0.015 0.000 1.039 579 T CA 1.172 63.259 62.100 -0.021 0.000 1.142 579 T CB -0.181 68.682 68.868 -0.009 0.000 0.866 579 T HN 0.334 nan 8.240 nan 0.000 0.444 580 Q N 0.279 120.072 119.800 -0.011 0.000 2.045 580 Q HA -0.084 4.255 4.340 -0.000 0.000 0.206 580 Q C 2.362 178.372 176.000 0.015 0.000 0.991 580 Q CA 1.504 57.310 55.803 0.005 0.000 0.851 580 Q CB -0.417 28.332 28.738 0.018 0.000 0.911 580 Q HN 0.512 nan 8.270 nan 0.000 0.418 581 I N -0.231 120.340 120.570 0.001 0.000 2.208 581 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 581 I C 2.475 178.639 176.117 0.078 0.000 1.097 581 I CA 0.883 62.209 61.300 0.043 0.000 1.363 581 I CB -0.262 37.725 38.000 -0.022 0.000 1.051 581 I HN 0.134 nan 8.210 nan 0.000 0.413 582 S N -0.049 115.670 115.700 0.031 0.000 2.419 582 S HA -0.169 4.301 4.470 -0.000 0.000 0.233 582 S C 1.408 176.017 174.600 0.014 0.000 1.016 582 S CA 1.317 59.535 58.200 0.032 0.000 0.974 582 S CB -0.216 62.990 63.200 0.010 0.000 0.786 582 S HN 0.445 nan 8.310 nan 0.000 0.492 583 E N -0.016 120.189 120.200 0.008 0.000 2.496 583 E HA 0.215 4.565 4.350 -0.000 0.000 0.200 583 E C -0.053 176.545 176.600 -0.004 0.000 1.016 583 E CA -0.164 56.230 56.400 -0.011 0.000 0.962 583 E CB 0.296 29.986 29.700 -0.017 0.000 1.071 583 E HN 0.272 nan 8.360 nan 0.000 0.457 584 K N 0.703 121.114 120.400 0.019 0.000 3.088 584 K HA -0.256 4.064 4.320 -0.000 0.000 0.273 584 K C 0.843 177.462 176.600 0.031 0.000 1.111 584 K CA 1.046 57.343 56.287 0.016 0.000 0.803 584 K CB -1.039 31.438 32.500 -0.039 0.000 1.226 584 K HN 0.344 nan 8.250 nan 0.000 0.485 585 Q N -0.709 119.114 119.800 0.040 0.000 2.219 585 Q HA 0.175 4.515 4.340 -0.000 0.000 0.209 585 Q C 0.233 176.265 176.000 0.053 0.000 0.854 585 Q CA 0.366 56.191 55.803 0.037 0.000 0.960 585 Q CB 0.814 29.565 28.738 0.022 0.000 1.116 585 Q HN 0.422 nan 8.270 nan 0.000 0.500 586 C N -0.426 118.922 119.300 0.079 0.000 3.199 586 C HA 0.587 5.047 4.460 -0.000 0.000 0.392 586 C C -0.635 174.434 174.990 0.132 0.000 1.050 586 C CA -1.072 57.999 59.018 0.088 0.000 1.222 586 C CB 1.517 29.297 27.740 0.066 0.000 1.595 586 C HN 0.418 nan 8.230 nan 0.000 0.560 587 R N 1.896 122.477 120.500 0.135 0.000 2.738 587 R HA 0.161 4.501 4.340 -0.000 0.000 0.268 587 R C 0.970 177.347 176.300 0.128 0.000 1.062 587 R CA -0.032 56.167 56.100 0.165 0.000 1.158 587 R CB 0.406 30.780 30.300 0.124 0.000 1.046 587 R HN 0.894 nan 8.270 nan 0.000 0.493 588 Y N 1.629 121.912 120.300 -0.028 0.000 2.102 588 Y HA -0.363 4.187 4.550 -0.000 0.000 0.280 588 Y C 2.226 178.144 175.900 0.030 0.000 1.178 588 Y CA 2.197 60.281 58.100 -0.027 0.000 1.146 588 Y CB -0.106 38.297 38.460 -0.095 0.000 0.968 588 Y HN 0.544 nan 8.280 nan 0.000 0.504 589 Q N 0.355 120.147 119.800 -0.014 0.000 2.291 589 Q HA -0.138 4.202 4.340 -0.000 0.000 0.205 589 Q C 1.426 177.342 176.000 -0.139 0.000 0.970 589 Q CA 1.719 57.447 55.803 -0.126 0.000 0.876 589 Q CB -0.220 28.500 28.738 -0.031 0.000 0.935 589 Q HN 0.584 nan 8.270 nan 0.000 0.455 590 D N -1.311 119.050 120.400 -0.065 0.000 2.323 590 D HA -0.078 4.562 4.640 -0.000 0.000 0.209 590 D C 1.098 177.380 176.300 -0.030 0.000 0.973 590 D CA 0.377 54.354 54.000 -0.038 0.000 0.874 590 D CB 0.047 40.854 40.800 0.011 0.000 0.930 590 D HN 0.279 nan 8.370 nan 0.000 0.521 591 F N 0.715 120.536 119.950 -0.216 0.000 2.274 591 F HA 0.088 4.615 4.527 -0.000 0.000 0.288 591 F C 2.080 177.677 175.800 -0.337 0.000 1.069 591 F CA 0.465 58.310 58.000 -0.257 0.000 1.343 591 F CB -0.106 38.728 39.000 -0.276 0.000 1.089 591 F HN -0.260 nan 8.300 nan 0.000 0.517 592 M N 0.546 119.745 119.600 -0.668 0.000 2.123 592 M HA -0.098 4.382 4.480 -0.000 0.000 0.263 592 M C 2.120 178.142 176.300 -0.464 0.000 1.069 592 M CA 1.567 56.407 55.300 -0.766 0.000 1.133 592 M CB -0.631 31.493 32.600 -0.793 0.000 1.356 592 M HN 0.081 nan 8.290 nan 0.000 0.415 593 Q N 0.069 119.684 119.800 -0.309 0.000 2.096 593 Q HA -0.093 4.247 4.340 -0.000 0.000 0.204 593 Q C -0.352 175.553 176.000 -0.158 0.000 0.982 593 Q CA 1.949 57.647 55.803 -0.176 0.000 0.850 593 Q CB -2.173 26.494 28.738 -0.120 0.000 0.901 593 Q HN 0.389 nan 8.270 nan 0.000 0.422 594 P HA -0.150 nan 4.420 nan 0.000 0.215 594 P C 1.647 178.858 177.300 -0.148 0.000 1.153 594 P CA 0.830 63.844 63.100 -0.143 0.000 0.853 594 P CB -0.166 31.449 31.700 -0.141 0.000 0.788 595 L N -0.453 120.602 121.223 -0.280 0.000 2.017 595 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 595 L C 2.207 179.028 176.870 -0.082 0.000 1.073 595 L CA 1.801 56.503 54.840 -0.231 0.000 0.745 595 L CB -1.237 40.508 42.059 -0.524 0.000 0.894 595 L HN -0.211 nan 8.230 nan 0.000 0.432 596 V N 0.478 120.342 119.914 -0.084 0.000 2.317 596 V HA -0.324 3.796 4.120 -0.000 0.000 0.251 596 V C 2.620 178.805 176.094 0.152 0.000 1.065 596 V CA 2.017 64.346 62.300 0.049 0.000 1.049 596 V CB -1.768 30.093 31.823 0.064 0.000 0.651 596 V HN 0.688 nan 8.190 nan 0.000 0.450 597 G N -0.677 108.167 108.800 0.072 0.000 2.459 597 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 597 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 597 G C 1.674 176.635 174.900 0.102 0.000 1.183 597 G CA 1.563 46.712 45.100 0.081 0.000 0.776 597 G HN 0.471 nan 8.290 nan 0.000 0.552 598 T N 1.129 115.720 114.554 0.062 0.000 2.759 598 T HA -0.140 4.210 4.350 -0.000 0.000 0.269 598 T C 2.233 176.992 174.700 0.099 0.000 1.042 598 T CA 1.162 63.307 62.100 0.076 0.000 1.140 598 T CB -0.217 68.698 68.868 0.079 0.000 0.864 598 T HN 0.089 nan 8.240 nan 0.000 0.455 599 L N 0.029 121.307 121.223 0.093 0.000 2.017 599 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 599 L C 2.025 178.877 176.870 -0.031 0.000 1.073 599 L CA 1.667 56.522 54.840 0.024 0.000 0.745 599 L CB -0.890 41.147 42.059 -0.036 0.000 0.894 599 L HN 0.290 nan 8.230 nan 0.000 0.432 600 Y N -0.571 119.722 120.300 -0.012 0.000 2.242 600 Y HA -0.273 4.277 4.550 -0.000 0.000 0.291 600 Y C 2.822 178.711 175.900 -0.019 0.000 1.137 600 Y CA 1.889 59.974 58.100 -0.025 0.000 1.181 600 Y CB -0.155 38.289 38.460 -0.027 0.000 0.989 600 Y HN 0.376 nan 8.280 nan 0.000 0.527 601 Q N 0.188 120.074 119.800 0.144 0.000 2.079 601 Q HA -0.165 4.175 4.340 -0.000 0.000 0.200 601 Q C 2.048 178.080 176.000 0.053 0.000 0.974 601 Q CA 1.415 57.267 55.803 0.082 0.000 0.840 601 Q CB -0.229 28.548 28.738 0.064 0.000 0.898 601 Q HN 0.505 nan 8.270 nan 0.000 0.430 602 L N 0.280 121.533 121.223 0.050 0.000 2.083 602 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 602 L C 2.207 179.084 176.870 0.011 0.000 1.083 602 L CA 0.508 55.374 54.840 0.044 0.000 0.752 602 L CB -0.295 41.797 42.059 0.056 0.000 0.899 602 L HN 0.364 nan 8.230 nan 0.000 0.433 603 I N -0.253 120.294 120.570 -0.039 0.000 2.353 603 I HA -0.240 3.929 4.170 -0.000 0.000 0.248 603 I C 2.157 178.236 176.117 -0.064 0.000 1.119 603 I CA 1.417 62.661 61.300 -0.094 0.000 1.417 603 I CB -0.965 36.934 38.000 -0.168 0.000 1.078 603 I HN 0.283 nan 8.210 nan 0.000 0.421 604 D N 0.284 120.675 120.400 -0.014 0.000 2.144 604 D HA -0.235 4.405 4.640 -0.000 0.000 0.200 604 D C 2.233 178.528 176.300 -0.008 0.000 0.978 604 D CA 1.018 55.018 54.000 -0.000 0.000 0.833 604 D CB 0.031 40.851 40.800 0.034 0.000 0.961 604 D HN 0.284 nan 8.370 nan 0.000 0.470 605 Q N -0.195 119.608 119.800 0.004 0.000 2.119 605 Q HA -0.162 4.178 4.340 -0.000 0.000 0.201 605 Q C 2.001 177.999 176.000 -0.003 0.000 0.972 605 Q CA 1.459 57.269 55.803 0.012 0.000 0.847 605 Q CB -0.171 28.587 28.738 0.034 0.000 0.903 605 Q HN 0.334 nan 8.270 nan 0.000 0.433 606 A N 1.343 124.141 122.820 -0.038 0.000 1.873 606 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 606 A C 1.996 179.479 177.584 -0.169 0.000 1.186 606 A CA 1.538 53.476 52.037 -0.164 0.000 0.616 606 A CB -0.392 18.385 19.000 -0.372 0.000 0.823 606 A HN 0.352 nan 8.150 nan 0.000 0.442 607 K N -0.834 119.490 120.400 -0.128 0.000 2.286 607 K HA -0.115 4.205 4.320 -0.000 0.000 0.203 607 K C 1.257 177.824 176.600 -0.055 0.000 1.045 607 K CA 1.350 57.580 56.287 -0.094 0.000 0.935 607 K CB -0.100 32.361 32.500 -0.066 0.000 0.737 607 K HN 0.328 nan 8.250 nan 0.000 0.460 608 R N 0.138 120.615 120.500 -0.039 0.000 2.552 608 R HA 0.095 4.435 4.340 -0.000 0.000 0.314 608 R C -0.593 175.704 176.300 -0.005 0.000 1.041 608 R CA -0.035 56.055 56.100 -0.016 0.000 1.076 608 R CB 1.080 31.375 30.300 -0.009 0.000 1.290 608 R HN -0.070 nan 8.270 nan 0.000 0.563 609 T N 3.326 117.876 114.554 -0.007 0.000 2.771 609 T HA 0.215 4.565 4.350 -0.000 0.000 0.291 609 T C -2.281 172.446 174.700 0.046 0.000 0.954 609 T CA -1.507 60.609 62.100 0.027 0.000 1.045 609 T CB 1.209 70.112 68.868 0.059 0.000 0.917 609 T HN -0.003 nan 8.240 nan 0.000 0.484 610 P HA 0.043 nan 4.420 nan 0.000 0.258 610 P C 0.904 178.258 177.300 0.090 0.000 1.187 610 P CA 0.021 63.145 63.100 0.040 0.000 0.767 610 P CB 0.565 32.270 31.700 0.008 0.000 0.770 611 V N 4.735 124.723 119.914 0.124 0.000 2.626 611 V HA -0.218 3.902 4.120 -0.000 0.000 0.252 611 V C 2.498 178.744 176.094 0.253 0.000 1.067 611 V CA 1.619 64.059 62.300 0.234 0.000 1.081 611 V CB -0.758 31.149 31.823 0.141 0.000 0.686 611 V HN 0.536 nan 8.190 nan 0.000 0.468 612 R N 0.730 121.298 120.500 0.114 0.000 2.170 612 R HA -0.246 4.094 4.340 -0.000 0.000 0.242 612 R C 2.276 178.592 176.300 0.026 0.000 1.145 612 R CA 1.726 57.870 56.100 0.073 0.000 0.984 612 R CB -0.460 29.859 30.300 0.032 0.000 0.869 612 R HN 0.790 nan 8.270 nan 0.000 0.455 613 Q N -0.008 119.738 119.800 -0.090 0.000 2.291 613 Q HA -0.141 4.199 4.340 -0.000 0.000 0.206 613 Q C 0.813 176.632 176.000 -0.301 0.000 0.976 613 Q CA 1.317 56.968 55.803 -0.254 0.000 0.875 613 Q CB -0.213 28.280 28.738 -0.409 0.000 0.927 613 Q HN 0.403 nan 8.270 nan 0.000 0.450 614 F N 0.862 120.823 119.950 0.019 0.000 2.732 614 F HA 0.247 4.774 4.527 -0.000 0.000 0.303 614 F C 0.844 176.669 175.800 0.042 0.000 1.110 614 F CA -0.780 57.227 58.000 0.010 0.000 1.355 614 F CB 0.140 39.145 39.000 0.007 0.000 1.081 614 F HN -0.064 nan 8.300 nan 0.000 0.565 615 R N 1.343 121.944 120.500 0.169 0.000 2.449 615 R HA 0.382 4.722 4.340 -0.000 0.000 0.296 615 R C 0.796 177.164 176.300 0.113 0.000 1.047 615 R CA 0.649 56.829 56.100 0.134 0.000 1.018 615 R CB -0.127 30.226 30.300 0.088 0.000 0.962 615 R HN 0.385 nan 8.270 nan 0.000 0.428 616 G N 4.178 113.052 108.800 0.123 0.000 2.341 616 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.278 616 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.278 616 G C -0.276 174.700 174.900 0.126 0.000 1.111 616 G CA 0.223 45.387 45.100 0.106 0.000 0.982 616 G HN 0.534 nan 8.290 nan 0.000 0.502 651 A N 0.391 123.277 122.820 0.111 0.000 1.935 651 A HA 0.275 4.594 4.320 -0.000 0.000 0.214 651 A C 2.200 179.861 177.584 0.129 0.000 1.178 651 A CA 1.241 53.371 52.037 0.154 0.000 0.640 651 A CB -0.225 18.820 19.000 0.075 0.000 0.825 651 A HN 0.556 nan 8.150 nan 0.000 0.447 652 I N 0.201 120.751 120.570 -0.034 0.000 2.361 652 I HA -0.281 3.889 4.170 -0.000 0.000 0.251 652 I C 2.881 179.029 176.117 0.052 0.000 1.133 652 I CA 0.928 62.153 61.300 -0.126 0.000 1.413 652 I CB -0.301 37.509 38.000 -0.316 0.000 1.073 652 I HN 0.339 nan 8.210 nan 0.000 0.424 653 A N 0.326 123.191 122.820 0.074 0.000 1.940 653 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 653 A C 1.685 179.402 177.584 0.222 0.000 1.176 653 A CA 1.623 53.723 52.037 0.104 0.000 0.631 653 A CB -1.146 17.843 19.000 -0.019 0.000 0.814 653 A HN 0.523 nan 8.150 nan 0.000 0.446 654 H N -1.489 117.781 119.070 0.333 0.000 2.682 654 H HA 0.151 4.707 4.556 -0.000 0.000 0.293 654 H C 1.277 176.797 175.328 0.320 0.000 1.080 654 H CA 0.462 56.712 56.048 0.337 0.000 1.189 654 H CB -0.144 29.737 29.762 0.198 0.000 1.311 654 H HN 0.655 nan 8.280 nan 0.000 0.599 655 H N -1.852 117.360 119.070 0.236 0.000 2.247 655 H HA -0.017 4.539 4.556 -0.000 0.000 0.267 655 H C 1.594 176.999 175.328 0.127 0.000 0.952 655 H CA 0.099 56.250 56.048 0.171 0.000 1.250 655 H CB 0.171 30.016 29.762 0.138 0.000 1.441 655 H HN 0.490 nan 8.280 nan 0.000 0.553 656 H N 0.555 119.657 119.070 0.054 0.000 2.518 656 H HA -0.127 4.428 4.556 -0.000 0.000 0.292 656 H C 1.161 176.340 175.328 -0.248 0.000 1.068 656 H CA 1.312 57.275 56.048 -0.142 0.000 1.275 656 H CB 0.421 30.029 29.762 -0.256 0.000 1.375 656 H HN 0.485 nan 8.280 nan 0.000 0.563 657 H N -2.133 116.939 119.070 0.003 0.000 2.379 657 H HA 0.139 4.695 4.556 -0.000 0.000 0.308 657 H C 0.584 175.793 175.328 -0.198 0.000 1.047 657 H CA 0.355 56.321 56.048 -0.137 0.000 1.371 657 H CB 0.337 30.063 29.762 -0.060 0.000 1.449 657 H HN 0.289 nan 8.280 nan 0.000 0.564 658 H N 0.000 119.142 119.070 0.120 0.000 2.539 658 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 658 H CA 0.000 56.075 56.048 0.046 0.000 1.023 658 H CB 0.000 29.792 29.762 0.050 0.000 1.292 658 H HN 0.000 nan 8.280 nan 0.000 0.496