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 2o19_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 QPSEACEPYQ 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 GSKERDEEND GTPLPVVAKG DELLCEKGEV VERQTQPPRH FTDATLLSAM DATA SEQUENCE TGIARFVQDK DLKKILRATD GLGTEATRAG IIELLFKRGF LTKKGRYIHS DATA SEQUENCE TDAGKALFHS LPEMATRPDM TAHWESVLTQ ISEKQCRYQD FMQPLVGTLY DATA SEQUENCE QLIDQAKRTP VRQFRGIXXX XXXXXXXXXX XXXXXXXXXX XXXXXEVGSG 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 0.000 176.288 176.300 -0.020 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 R N 3.217 123.701 120.500 -0.027 0.000 2.312 2 R HA 0.718 5.058 4.340 -0.000 0.000 0.311 2 R C -1.488 174.749 176.300 -0.105 0.000 1.004 2 R CA -0.539 55.505 56.100 -0.093 0.000 0.902 2 R CB 1.253 31.489 30.300 -0.106 0.000 1.073 2 R HN 0.622 nan 8.270 nan 0.000 0.457 3 L N 5.332 126.447 121.223 -0.180 0.000 2.305 3 L HA 0.483 4.822 4.340 -0.000 0.000 0.284 3 L C -1.665 175.075 176.870 -0.218 0.000 1.013 3 L CA -0.176 54.581 54.840 -0.138 0.000 0.819 3 L CB 1.125 43.127 42.059 -0.096 0.000 1.227 3 L HN 0.540 nan 8.230 nan 0.000 0.417 4 F N 5.793 125.703 119.950 -0.067 0.000 2.415 4 F HA 0.518 5.045 4.527 -0.000 0.000 0.348 4 F C 0.129 175.913 175.800 -0.027 0.000 1.119 4 F CA -0.337 57.644 58.000 -0.032 0.000 1.069 4 F CB 1.175 40.165 39.000 -0.018 0.000 1.124 4 F HN 0.254 nan 8.300 nan 0.000 0.472 5 I N 3.877 124.525 120.570 0.130 0.000 2.359 5 I HA 0.511 4.681 4.170 -0.000 0.000 0.284 5 I C 0.033 176.216 176.117 0.110 0.000 1.018 5 I CA -0.481 60.865 61.300 0.076 0.000 1.173 5 I CB 0.898 38.884 38.000 -0.024 0.000 1.326 5 I HN 0.666 nan 8.210 nan 0.000 0.462 6 A N 4.322 127.242 122.820 0.167 0.000 2.256 6 A HA 0.403 4.723 4.320 -0.000 0.000 0.318 6 A C 1.074 178.740 177.584 0.137 0.000 1.103 6 A CA -0.401 51.730 52.037 0.155 0.000 0.860 6 A CB 0.976 20.071 19.000 0.159 0.000 1.182 6 A HN 0.755 nan 8.150 nan 0.000 0.501 7 E N 0.297 120.555 120.200 0.096 0.000 2.077 7 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 7 E C 0.518 177.172 176.600 0.089 0.000 0.989 7 E CA 2.092 58.534 56.400 0.070 0.000 0.800 7 E CB -0.081 29.653 29.700 0.056 0.000 0.746 7 E HN 0.615 nan 8.360 nan 0.000 0.452 8 K N -3.652 116.797 120.400 0.082 0.000 2.615 8 K HA 0.251 4.571 4.320 -0.000 0.000 0.291 8 K C -2.617 173.866 176.600 -0.195 0.000 1.017 8 K CA -1.373 54.918 56.287 0.006 0.000 0.882 8 K CB 1.412 33.899 32.500 -0.021 0.000 1.522 8 K HN -0.358 nan 8.250 nan 0.000 0.412 9 P HA -0.244 nan 4.420 nan 0.000 0.215 9 P C 1.512 178.489 177.300 -0.538 0.000 1.157 9 P CA 2.272 64.759 63.100 -1.022 0.000 0.868 9 P CB 0.025 31.095 31.700 -1.051 0.000 0.788 10 S N -0.797 114.703 115.700 -0.334 0.000 2.400 10 S HA -0.175 4.295 4.470 -0.000 0.000 0.232 10 S C 1.902 176.386 174.600 -0.193 0.000 1.025 10 S CA 1.216 59.274 58.200 -0.236 0.000 0.993 10 S CB -1.573 61.524 63.200 -0.172 0.000 0.808 10 S HN 0.004 nan 8.310 nan 0.000 0.478 11 L N 1.931 123.069 121.223 -0.142 0.000 2.109 11 L HA 0.303 4.643 4.340 -0.000 0.000 0.207 11 L C 2.678 179.492 176.870 -0.093 0.000 1.086 11 L CA 1.470 56.257 54.840 -0.088 0.000 0.760 11 L CB -1.289 40.765 42.059 -0.009 0.000 0.910 11 L HN 0.345 nan 8.230 nan 0.000 0.437 12 A N -0.261 122.505 122.820 -0.090 0.000 1.902 12 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 12 A C 2.402 179.919 177.584 -0.112 0.000 1.181 12 A CA 1.794 53.814 52.037 -0.027 0.000 0.623 12 A CB -0.547 18.547 19.000 0.156 0.000 0.818 12 A HN 0.489 nan 8.150 nan 0.000 0.443 13 R N -0.540 119.855 120.500 -0.175 0.000 2.105 13 R HA -0.129 4.211 4.340 -0.000 0.000 0.239 13 R C 2.405 178.606 176.300 -0.165 0.000 1.135 13 R CA 1.295 57.292 56.100 -0.171 0.000 0.967 13 R CB -0.467 29.725 30.300 -0.180 0.000 0.861 13 R HN 0.526 nan 8.270 nan 0.000 0.442 14 A N 0.847 123.571 122.820 -0.160 0.000 1.969 14 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 14 A C 2.092 179.581 177.584 -0.160 0.000 1.169 14 A CA 1.037 52.985 52.037 -0.148 0.000 0.635 14 A CB -0.321 18.590 19.000 -0.148 0.000 0.810 14 A HN 0.170 nan 8.150 nan 0.000 0.445 15 I N -0.393 120.061 120.570 -0.193 0.000 2.193 15 I HA -0.209 3.961 4.170 -0.000 0.000 0.240 15 I C 2.946 178.865 176.117 -0.330 0.000 1.084 15 I CA 0.994 62.122 61.300 -0.286 0.000 1.365 15 I CB -0.385 37.389 38.000 -0.377 0.000 1.064 15 I HN 0.320 nan 8.210 nan 0.000 0.410 16 A N 0.315 122.944 122.820 -0.318 0.000 2.024 16 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 16 A C 1.852 179.129 177.584 -0.512 0.000 1.164 16 A CA 1.993 53.777 52.037 -0.422 0.000 0.643 16 A CB -0.607 18.177 19.000 -0.359 0.000 0.806 16 A HN 0.368 nan 8.150 nan 0.000 0.451 17 D N -0.609 119.633 120.400 -0.264 0.000 2.218 17 D HA -0.099 4.541 4.640 -0.000 0.000 0.204 17 D C 1.902 178.196 176.300 -0.010 0.000 0.976 17 D CA 1.738 55.686 54.000 -0.087 0.000 0.853 17 D CB -0.049 40.716 40.800 -0.058 0.000 0.939 17 D HN 0.519 nan 8.370 nan 0.000 0.481 18 V N -2.039 117.826 119.914 -0.081 0.000 3.621 18 V HA 0.260 4.380 4.120 -0.000 0.000 0.285 18 V C 0.734 176.818 176.094 -0.017 0.000 1.346 18 V CA -0.203 62.077 62.300 -0.035 0.000 1.104 18 V CB -0.346 31.444 31.823 -0.055 0.000 0.913 18 V HN -0.117 nan 8.190 nan 0.000 0.432 19 L N 0.871 122.069 121.223 -0.042 0.000 2.416 19 L HA 0.536 4.876 4.340 -0.000 0.000 0.262 19 L C -2.187 174.802 176.870 0.197 0.000 1.093 19 L CA -2.074 52.776 54.840 0.016 0.000 0.801 19 L CB 0.718 42.725 42.059 -0.087 0.000 1.191 19 L HN 0.005 nan 8.230 nan 0.000 0.459 20 P HA 0.050 nan 4.420 nan 0.000 0.265 20 P C -0.911 176.480 177.300 0.152 0.000 1.193 20 P CA 0.053 63.230 63.100 0.128 0.000 0.765 20 P CB 0.432 32.180 31.700 0.081 0.000 0.823 21 K N 3.775 124.158 120.400 -0.030 0.000 2.138 21 K HA 0.310 4.630 4.320 -0.000 0.000 0.251 21 K C -1.818 174.739 176.600 -0.071 0.000 1.015 21 K CA -1.380 54.768 56.287 -0.233 0.000 0.917 21 K CB -0.205 32.099 32.500 -0.327 0.000 1.021 21 K HN 0.438 nan 8.250 nan 0.000 0.485 22 P HA 0.143 nan 4.420 nan 0.000 0.279 22 P C -1.332 175.965 177.300 -0.006 0.000 1.252 22 P CA -0.229 62.795 63.100 -0.127 0.000 0.811 22 P CB 0.561 32.232 31.700 -0.048 0.000 1.035 23 H N 0.348 119.426 119.070 0.013 0.000 2.638 23 H HA 0.381 4.937 4.556 -0.000 0.000 0.303 23 H C 0.352 175.690 175.328 0.018 0.000 1.034 23 H CA -0.742 55.316 56.048 0.017 0.000 1.225 23 H CB 1.337 31.100 29.762 0.002 0.000 1.394 23 H HN 0.221 nan 8.280 nan 0.000 0.477 24 R N 3.765 124.354 120.500 0.149 0.000 2.229 24 R HA 0.137 4.477 4.340 -0.000 0.000 0.332 24 R C -0.569 175.757 176.300 0.042 0.000 0.989 24 R CA -0.930 55.221 56.100 0.085 0.000 0.842 24 R CB 0.404 30.757 30.300 0.088 0.000 1.119 24 R HN 0.479 nan 8.270 nan 0.000 0.456 25 K N 2.821 123.220 120.400 -0.001 0.000 2.416 25 K HA 0.120 4.440 4.320 -0.000 0.000 0.283 25 K C 0.290 176.765 176.600 -0.208 0.000 1.037 25 K CA 0.074 56.316 56.287 -0.075 0.000 0.995 25 K CB 1.320 33.796 32.500 -0.040 0.000 0.938 25 K HN 0.795 nan 8.250 nan 0.000 0.475 26 G N 1.089 109.553 108.800 -0.560 0.000 2.938 26 G HA2 0.101 4.061 3.960 -0.000 0.000 0.258 26 G HA3 0.101 4.061 3.960 -0.000 0.000 0.258 26 G C -1.004 173.446 174.900 -0.750 0.000 1.356 26 G CA -0.375 44.175 45.100 -0.917 0.000 1.052 26 G HN 0.468 nan 8.290 nan 0.000 0.550 27 D N -0.292 119.763 120.400 -0.575 0.000 2.441 27 D HA 0.443 5.083 4.640 -0.000 0.000 0.221 27 D C 1.134 177.424 176.300 -0.017 0.000 1.156 27 D CA 0.857 54.769 54.000 -0.147 0.000 0.896 27 D CB 0.023 40.835 40.800 0.021 0.000 1.028 27 D HN 0.979 nan 8.370 nan 0.000 0.509 28 G N 3.163 111.935 108.800 -0.046 0.000 2.141 28 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.242 28 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.242 28 G C 0.078 174.594 174.900 -0.640 0.000 0.982 28 G CA 0.391 45.374 45.100 -0.195 0.000 0.662 28 G HN 0.598 nan 8.290 nan 0.000 0.527 29 F N -2.065 117.654 119.950 -0.385 0.000 2.741 29 F HA 0.806 5.333 4.527 -0.000 0.000 0.313 29 F C -0.963 174.884 175.800 0.077 0.000 1.153 29 F CA -2.223 55.583 58.000 -0.323 0.000 0.931 29 F CB 0.985 39.843 39.000 -0.237 0.000 1.335 29 F HN 0.021 nan 8.300 nan 0.000 0.460 30 I N 1.559 122.296 120.570 0.278 0.000 2.418 30 I HA 0.312 4.482 4.170 -0.000 0.000 0.287 30 I C -0.855 175.392 176.117 0.217 0.000 1.008 30 I CA -0.546 60.863 61.300 0.182 0.000 1.104 30 I CB 1.922 39.998 38.000 0.127 0.000 1.264 30 I HN 0.723 nan 8.210 nan 0.000 0.438 31 E N 5.797 126.149 120.200 0.254 0.000 2.167 31 E HA 0.394 4.744 4.350 -0.000 0.000 0.284 31 E C -1.190 175.504 176.600 0.157 0.000 1.016 31 E CA -0.446 56.083 56.400 0.215 0.000 0.817 31 E CB 0.996 30.873 29.700 0.297 0.000 1.080 31 E HN 0.640 nan 8.360 nan 0.000 0.397 32 C N 3.010 122.384 119.300 0.123 0.000 2.531 32 C HA 0.689 5.149 4.460 -0.000 0.000 0.369 32 C C 0.931 176.007 174.990 0.142 0.000 1.258 32 C CA -0.643 58.479 59.018 0.174 0.000 1.876 32 C CB 1.108 28.907 27.740 0.098 0.000 2.256 32 C HN 0.914 nan 8.230 nan 0.000 0.510 33 G N 0.464 109.355 108.800 0.152 0.000 2.606 33 G HA2 0.378 4.338 3.960 -0.000 0.000 0.252 33 G HA3 0.378 4.338 3.960 -0.000 0.000 0.252 33 G C 0.316 175.265 174.900 0.082 0.000 1.206 33 G CA 0.469 45.625 45.100 0.094 0.000 0.861 33 G HN 1.098 nan 8.290 nan 0.000 0.561 34 N N -1.428 117.309 118.700 0.062 0.000 2.776 34 N HA -0.122 4.618 4.740 -0.000 0.000 0.250 34 N C 1.154 176.697 175.510 0.055 0.000 1.112 34 N CA 2.217 55.300 53.050 0.055 0.000 0.733 34 N CB -1.252 37.269 38.487 0.057 0.000 1.097 34 N HN 2.103 nan 8.380 nan 0.000 0.558 35 G N -0.849 107.984 108.800 0.055 0.000 2.273 35 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.280 35 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.280 35 G C -0.475 174.457 174.900 0.053 0.000 1.047 35 G CA 0.622 45.750 45.100 0.048 0.000 0.869 35 G HN 0.557 nan 8.290 nan 0.000 0.502 36 Q N -0.693 119.152 119.800 0.075 0.000 2.241 36 Q HA 0.650 4.990 4.340 -0.000 0.000 0.254 36 Q C -0.034 176.004 176.000 0.063 0.000 0.917 36 Q CA -0.543 55.325 55.803 0.109 0.000 0.919 36 Q CB 2.504 31.330 28.738 0.147 0.000 1.237 36 Q HN 0.290 nan 8.270 nan 0.000 0.434 37 V N 2.320 122.260 119.914 0.044 0.000 2.588 37 V HA 0.456 4.576 4.120 -0.000 0.000 0.304 37 V C -0.388 175.715 176.094 0.014 0.000 1.042 37 V CA -0.820 61.431 62.300 -0.081 0.000 0.877 37 V CB 2.298 33.878 31.823 -0.406 0.000 0.996 37 V HN 0.506 nan 8.190 nan 0.000 0.425 38 V N 3.516 123.438 119.914 0.014 0.000 2.459 38 V HA 0.718 4.838 4.120 -0.000 0.000 0.295 38 V C 0.145 176.292 176.094 0.088 0.000 1.029 38 V CA -0.142 62.210 62.300 0.087 0.000 0.874 38 V CB 1.731 33.583 31.823 0.049 0.000 0.985 38 V HN 0.969 nan 8.190 nan 0.000 0.438 39 T N 3.589 118.184 114.554 0.069 0.000 2.742 39 T HA 0.836 5.186 4.350 -0.000 0.000 0.282 39 T C -1.783 173.020 174.700 0.172 0.000 1.025 39 T CA -0.460 61.583 62.100 -0.094 0.000 1.020 39 T CB 1.701 70.430 68.868 -0.232 0.000 1.317 39 T HN 0.862 nan 8.240 nan 0.000 0.538 40 W N -0.687 120.646 121.300 0.054 0.000 3.025 40 W HA 0.723 5.383 4.660 -0.000 0.000 0.343 40 W C -1.479 175.054 176.519 0.023 0.000 1.246 40 W CA -1.035 56.327 57.345 0.027 0.000 1.178 40 W CB 0.024 29.493 29.460 0.016 0.000 1.463 40 W HN 0.662 nan 8.180 nan 0.000 0.578 41 C N 1.387 120.864 119.300 0.295 0.000 2.335 41 C HA 0.743 5.203 4.460 -0.000 0.000 0.363 41 C C 0.153 175.317 174.990 0.291 0.000 1.198 41 C CA -0.543 58.586 59.018 0.185 0.000 2.279 41 C CB 0.475 28.254 27.740 0.064 0.000 2.334 41 C HN 0.483 nan 8.230 nan 0.000 0.559 42 I N 2.290 122.975 120.570 0.191 0.000 2.466 42 I HA 0.498 4.668 4.170 -0.000 0.000 0.279 42 I C 0.779 176.956 176.117 0.100 0.000 1.033 42 I CA 0.372 61.772 61.300 0.167 0.000 1.123 42 I CB 0.440 38.552 38.000 0.187 0.000 1.237 42 I HN 1.037 nan 8.210 nan 0.000 0.460 43 G N 5.128 113.972 108.800 0.072 0.000 2.598 43 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.269 43 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.269 43 G C -0.135 174.776 174.900 0.019 0.000 1.289 43 G CA -0.433 44.706 45.100 0.065 0.000 0.926 43 G HN 0.685 nan 8.290 nan 0.000 0.567 44 H N 0.292 119.390 119.070 0.047 0.000 2.803 44 H HA 0.260 4.816 4.556 -0.000 0.000 0.330 44 H C 1.498 176.836 175.328 0.017 0.000 1.057 44 H CA 0.516 56.583 56.048 0.031 0.000 1.458 44 H CB 0.795 30.576 29.762 0.032 0.000 1.470 44 H HN 0.357 nan 8.280 nan 0.000 0.560 45 L N 3.221 124.495 121.223 0.086 0.000 2.446 45 L HA 0.120 4.460 4.340 -0.000 0.000 0.219 45 L C 0.341 177.197 176.870 -0.024 0.000 1.116 45 L CA 0.627 55.483 54.840 0.027 0.000 0.844 45 L CB 0.159 42.216 42.059 -0.003 0.000 0.970 45 L HN 0.267 nan 8.230 nan 0.000 0.457 46 L N -0.612 120.611 121.223 -0.000 0.000 2.370 46 L HA 0.437 4.777 4.340 -0.000 0.000 0.266 46 L C -0.629 176.244 176.870 0.005 0.000 1.002 46 L CA -0.492 54.305 54.840 -0.072 0.000 0.818 46 L CB 2.347 44.308 42.059 -0.163 0.000 1.325 46 L HN -0.055 nan 8.230 nan 0.000 0.418 47 E N 1.171 121.364 120.200 -0.012 0.000 2.281 47 E HA 0.387 4.737 4.350 -0.000 0.000 0.262 47 E C -1.228 175.398 176.600 0.042 0.000 0.933 47 E CA -1.087 55.322 56.400 0.015 0.000 0.809 47 E CB 1.356 31.086 29.700 0.050 0.000 1.242 47 E HN 0.349 nan 8.360 nan 0.000 0.418 48 Q N 0.602 120.449 119.800 0.080 0.000 2.361 48 Q HA 0.185 4.525 4.340 -0.000 0.000 0.276 48 Q C -0.230 175.874 176.000 0.174 0.000 1.022 48 Q CA -0.034 55.832 55.803 0.104 0.000 0.898 48 Q CB 0.868 29.646 28.738 0.067 0.000 1.246 48 Q HN 0.597 nan 8.270 nan 0.000 0.410 49 A N 3.604 126.513 122.820 0.148 0.000 2.445 49 A HA 0.081 4.401 4.320 -0.000 0.000 0.242 49 A C 0.370 178.161 177.584 0.345 0.000 1.075 49 A CA -0.428 51.693 52.037 0.140 0.000 0.777 49 A CB 0.347 19.310 19.000 -0.062 0.000 1.013 49 A HN 0.594 nan 8.150 nan 0.000 0.493 50 Q N 1.274 121.255 119.800 0.301 0.000 2.432 50 Q HA 0.076 4.416 4.340 -0.000 0.000 0.264 50 Q C -1.572 174.731 176.000 0.505 0.000 1.035 50 Q CA -1.473 54.566 55.803 0.393 0.000 0.908 50 Q CB -0.224 28.662 28.738 0.247 0.000 1.280 50 Q HN 0.463 nan 8.270 nan 0.000 0.455 51 P HA -0.208 nan 4.420 nan 0.000 0.216 51 P C 0.385 178.039 177.300 0.590 0.000 1.150 51 P CA 1.785 65.262 63.100 0.629 0.000 0.843 51 P CB 0.081 31.943 31.700 0.270 0.000 0.787 52 D N -0.903 119.722 120.400 0.375 0.000 2.378 52 D HA -0.070 4.570 4.640 -0.000 0.000 0.222 52 D C 1.684 178.062 176.300 0.129 0.000 0.980 52 D CA 0.765 54.917 54.000 0.255 0.000 0.907 52 D CB -0.694 40.215 40.800 0.181 0.000 0.899 52 D HN 0.100 nan 8.370 nan 0.000 0.527 53 A N -0.162 122.704 122.820 0.078 0.000 1.968 53 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 53 A C 1.590 179.036 177.584 -0.231 0.000 1.169 53 A CA 0.762 52.717 52.037 -0.138 0.000 0.638 53 A CB -0.884 17.939 19.000 -0.295 0.000 0.812 53 A HN 0.378 nan 8.150 nan 0.000 0.446 54 Y N -0.766 119.593 120.300 0.099 0.000 2.243 54 Y HA 0.098 4.648 4.550 -0.000 0.000 0.293 54 Y C 0.654 176.522 175.900 -0.053 0.000 1.124 54 Y CA 1.029 59.167 58.100 0.063 0.000 1.159 54 Y CB 0.385 38.940 38.460 0.158 0.000 1.008 54 Y HN 0.242 nan 8.280 nan 0.000 0.527 55 D N -1.317 119.045 120.400 -0.063 0.000 2.891 55 D HA 0.097 4.737 4.640 -0.000 0.000 0.224 55 D C 0.496 176.617 176.300 -0.298 0.000 1.321 55 D CA 0.218 53.992 54.000 -0.376 0.000 0.929 55 D CB 1.589 41.832 40.800 -0.929 0.000 1.551 55 D HN 0.053 nan 8.370 nan 0.000 0.574 56 S N 3.595 119.207 115.700 -0.148 0.000 2.419 56 S HA -0.217 4.253 4.470 -0.000 0.000 0.235 56 S C 1.780 176.358 174.600 -0.036 0.000 1.019 56 S CA 0.841 59.011 58.200 -0.051 0.000 0.982 56 S CB -0.121 63.061 63.200 -0.030 0.000 0.789 56 S HN 0.620 nan 8.310 nan 0.000 0.490 57 R N 0.571 121.001 120.500 -0.116 0.000 2.159 57 R HA -0.118 4.222 4.340 -0.000 0.000 0.237 57 R C 1.551 177.909 176.300 0.098 0.000 1.131 57 R CA 1.511 57.586 56.100 -0.043 0.000 0.982 57 R CB -0.516 29.730 30.300 -0.089 0.000 0.868 57 R HN 0.676 nan 8.270 nan 0.000 0.453 58 Y N -0.251 120.096 120.300 0.078 0.000 2.639 58 Y HA -0.096 4.454 4.550 -0.000 0.000 0.297 58 Y C 2.369 178.340 175.900 0.117 0.000 1.151 58 Y CA -0.188 57.961 58.100 0.081 0.000 1.335 58 Y CB -0.025 38.491 38.460 0.093 0.000 0.994 58 Y HN 0.289 nan 8.280 nan 0.000 0.548 59 A N 0.796 123.776 122.820 0.266 0.000 1.933 59 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 59 A C 1.380 179.151 177.584 0.311 0.000 1.175 59 A CA 0.456 52.648 52.037 0.257 0.000 0.628 59 A CB -0.420 18.682 19.000 0.170 0.000 0.814 59 A HN 0.257 nan 8.150 nan 0.000 0.444 60 R N -0.115 120.533 120.500 0.247 0.000 2.370 60 R HA 0.130 4.470 4.340 -0.000 0.000 0.309 60 R C -1.444 175.067 176.300 0.353 0.000 1.059 60 R CA -0.399 55.847 56.100 0.244 0.000 0.981 60 R CB -0.178 30.215 30.300 0.154 0.000 0.972 60 R HN 0.387 nan 8.270 nan 0.000 0.437 61 W N 5.226 126.537 121.300 0.020 0.000 2.345 61 W HA 0.244 4.904 4.660 -0.000 0.000 0.308 61 W C -0.101 176.412 176.519 -0.010 0.000 1.273 61 W CA -0.295 57.047 57.345 -0.005 0.000 1.243 61 W CB -0.017 29.429 29.460 -0.023 0.000 1.260 61 W HN 0.779 nan 8.180 nan 0.000 0.509 62 N N 0.713 119.499 118.700 0.143 0.000 2.598 62 N HA 0.298 5.038 4.740 -0.000 0.000 0.263 62 N C -0.442 175.067 175.510 -0.002 0.000 1.254 62 N CA -0.821 52.274 53.050 0.075 0.000 0.863 62 N CB 1.069 39.602 38.487 0.076 0.000 1.586 62 N HN 0.211 nan 8.380 nan 0.000 0.491 63 L N 0.129 121.342 121.223 -0.017 0.000 2.141 63 L HA 0.051 4.391 4.340 -0.000 0.000 0.209 63 L C 2.350 179.190 176.870 -0.049 0.000 1.094 63 L CA 1.540 56.345 54.840 -0.058 0.000 0.763 63 L CB -0.510 41.515 42.059 -0.056 0.000 0.908 63 L HN 0.887 nan 8.230 nan 0.000 0.437 64 A N -0.477 122.336 122.820 -0.012 0.000 2.019 64 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 64 A C 1.723 179.313 177.584 0.011 0.000 1.164 64 A CA 1.640 53.681 52.037 0.005 0.000 0.644 64 A CB -0.310 18.705 19.000 0.025 0.000 0.805 64 A HN 0.347 nan 8.150 nan 0.000 0.449 65 D N -0.485 119.917 120.400 0.002 0.000 2.349 65 D HA 0.134 4.774 4.640 -0.000 0.000 0.215 65 D C 0.379 176.603 176.300 -0.128 0.000 1.016 65 D CA 0.186 54.188 54.000 0.003 0.000 0.870 65 D CB 0.000 40.846 40.800 0.075 0.000 0.917 65 D HN 0.376 nan 8.370 nan 0.000 0.524 66 L N 2.869 123.999 121.223 -0.154 0.000 2.349 66 L HA 0.245 4.585 4.340 -0.000 0.000 0.275 66 L C -2.051 174.678 176.870 -0.236 0.000 1.115 66 L CA -1.579 53.119 54.840 -0.237 0.000 0.820 66 L CB 0.707 42.624 42.059 -0.236 0.000 1.135 66 L HN -0.221 nan 8.230 nan 0.000 0.445 67 P HA 0.255 nan 4.420 nan 0.000 0.284 67 P C -0.622 176.445 177.300 -0.388 0.000 1.253 67 P CA -0.394 62.451 63.100 -0.426 0.000 0.800 67 P CB 1.200 32.565 31.700 -0.559 0.000 0.961 68 I N 2.558 122.884 120.570 -0.407 0.000 2.363 68 I HA 0.130 4.300 4.170 -0.000 0.000 0.292 68 I C -0.047 175.928 176.117 -0.237 0.000 1.075 68 I CA -0.198 60.842 61.300 -0.432 0.000 1.333 68 I CB 0.616 38.239 38.000 -0.627 0.000 1.415 68 I HN 0.007 nan 8.210 nan 0.000 0.502 69 V N 8.256 128.030 119.914 -0.232 0.000 2.419 69 V HA 0.310 4.430 4.120 -0.000 0.000 0.287 69 V C -2.175 173.696 176.094 -0.372 0.000 1.017 69 V CA -1.556 60.616 62.300 -0.213 0.000 0.844 69 V CB 1.206 32.985 31.823 -0.074 0.000 1.011 69 V HN 0.583 nan 8.190 nan 0.000 0.429 70 P HA 0.273 nan 4.420 nan 0.000 0.271 70 P C 0.598 177.573 177.300 -0.542 0.000 1.216 70 P CA -0.148 62.374 63.100 -0.963 0.000 0.776 70 P CB 1.224 31.745 31.700 -1.965 0.000 0.881 71 E N 1.377 121.421 120.200 -0.260 0.000 2.102 71 E HA 0.024 4.374 4.350 -0.000 0.000 0.190 71 E C 0.038 176.625 176.600 -0.022 0.000 0.971 71 E CA 1.109 57.463 56.400 -0.077 0.000 0.821 71 E CB 0.206 29.903 29.700 -0.005 0.000 0.777 71 E HN 0.451 nan 8.360 nan 0.000 0.460 72 K N 0.668 121.053 120.400 -0.025 0.000 2.389 72 K HA 0.163 4.483 4.320 -0.000 0.000 0.261 72 K C -0.874 175.809 176.600 0.139 0.000 1.014 72 K CA -0.458 55.880 56.287 0.086 0.000 0.920 72 K CB 0.845 33.399 32.500 0.090 0.000 1.149 72 K HN -0.094 nan 8.250 nan 0.000 0.444 73 W N 2.012 123.383 121.300 0.119 0.000 2.150 73 W HA 0.103 4.763 4.660 -0.000 0.000 0.341 73 W C 0.621 177.223 176.519 0.139 0.000 1.276 73 W CA 0.089 57.523 57.345 0.148 0.000 1.238 73 W CB 0.594 30.066 29.460 0.021 0.000 1.128 73 W HN 0.336 nan 8.180 nan 0.000 0.581 74 Q N 1.756 121.779 119.800 0.372 0.000 2.413 74 Q HA 0.667 5.007 4.340 -0.000 0.000 0.276 74 Q C -1.038 175.052 176.000 0.149 0.000 1.099 74 Q CA -1.103 54.786 55.803 0.144 0.000 0.814 74 Q CB 2.381 31.044 28.738 -0.124 0.000 1.379 74 Q HN 0.324 nan 8.270 nan 0.000 0.436 75 L N 1.308 122.613 121.223 0.136 0.000 2.333 75 L HA 0.556 4.896 4.340 -0.000 0.000 0.269 75 L C -0.708 176.182 176.870 0.033 0.000 1.010 75 L CA -0.971 53.913 54.840 0.073 0.000 0.818 75 L CB 1.982 44.063 42.059 0.037 0.000 1.306 75 L HN 0.527 nan 8.230 nan 0.000 0.430 76 Q N 2.994 122.778 119.800 -0.027 0.000 2.340 76 Q HA 0.508 4.848 4.340 -0.000 0.000 0.268 76 Q C -2.714 173.215 176.000 -0.118 0.000 1.031 76 Q CA -1.851 53.932 55.803 -0.033 0.000 0.804 76 Q CB 2.386 31.134 28.738 0.017 0.000 1.286 76 Q HN 0.138 nan 8.270 nan 0.000 0.448 77 P HA 0.099 nan 4.420 nan 0.000 0.267 77 P C -0.921 176.349 177.300 -0.050 0.000 1.205 77 P CA -0.048 62.956 63.100 -0.160 0.000 0.765 77 P CB 0.521 32.152 31.700 -0.114 0.000 0.828 78 R N 5.251 125.734 120.500 -0.027 0.000 2.458 78 R HA 0.016 4.356 4.340 -0.000 0.000 0.303 78 R C -1.355 174.956 176.300 0.019 0.000 1.013 78 R CA -0.935 55.173 56.100 0.014 0.000 1.026 78 R CB -0.083 30.239 30.300 0.036 0.000 0.948 78 R HN 0.428 nan 8.270 nan 0.000 0.417 79 P HA -0.196 nan 4.420 nan 0.000 0.215 79 P C 1.031 178.348 177.300 0.029 0.000 1.153 79 P CA 1.384 64.500 63.100 0.026 0.000 0.853 79 P CB 0.198 31.915 31.700 0.029 0.000 0.788 80 S N -1.044 114.676 115.700 0.034 0.000 2.474 80 S HA -0.052 4.418 4.470 -0.000 0.000 0.235 80 S C 1.362 175.986 174.600 0.041 0.000 0.997 80 S CA 1.115 59.337 58.200 0.037 0.000 0.949 80 S CB -1.266 61.959 63.200 0.040 0.000 0.766 80 S HN 0.144 nan 8.310 nan 0.000 0.517 81 V N -0.580 119.358 119.914 0.041 0.000 2.988 81 V HA 0.362 4.482 4.120 -0.000 0.000 0.356 81 V C 1.547 177.660 176.094 0.031 0.000 1.380 81 V CA 0.125 62.453 62.300 0.045 0.000 1.184 81 V CB -0.953 30.905 31.823 0.059 0.000 1.204 81 V HN 0.481 nan 8.190 nan 0.000 0.530 82 T N -2.323 112.245 114.554 0.024 0.000 2.833 82 T HA -0.199 4.151 4.350 -0.000 0.000 0.269 82 T C 1.676 176.387 174.700 0.017 0.000 1.054 82 T CA 1.829 63.940 62.100 0.018 0.000 1.135 82 T CB -0.249 68.632 68.868 0.020 0.000 0.869 82 T HN 0.539 nan 8.240 nan 0.000 0.466 83 K N 0.756 121.168 120.400 0.020 0.000 2.032 83 K HA -0.235 4.085 4.320 -0.000 0.000 0.209 83 K C 2.625 179.230 176.600 0.008 0.000 1.048 83 K CA 1.842 58.138 56.287 0.016 0.000 0.927 83 K CB -0.216 32.300 32.500 0.025 0.000 0.712 83 K HN 0.337 nan 8.250 nan 0.000 0.441 84 Q N 0.754 120.561 119.800 0.012 0.000 2.167 84 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 84 Q C 1.835 177.823 176.000 -0.021 0.000 0.970 84 Q CA 1.018 56.812 55.803 -0.015 0.000 0.855 84 Q CB -0.180 28.555 28.738 -0.004 0.000 0.911 84 Q HN 0.321 nan 8.270 nan 0.000 0.438 85 L N 0.360 121.583 121.223 -0.001 0.000 2.131 85 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 85 L C 1.479 178.355 176.870 0.011 0.000 1.092 85 L CA 1.725 56.571 54.840 0.009 0.000 0.759 85 L CB -0.481 41.588 42.059 0.017 0.000 0.903 85 L HN 0.273 nan 8.230 nan 0.000 0.435 86 N N -1.099 117.598 118.700 -0.005 0.000 2.376 86 N HA -0.055 4.685 4.740 -0.000 0.000 0.177 86 N C 1.789 177.255 175.510 -0.073 0.000 1.024 86 N CA 1.326 54.357 53.050 -0.032 0.000 0.893 86 N CB 0.118 38.585 38.487 -0.034 0.000 0.980 86 N HN 0.263 nan 8.380 nan 0.000 0.439 87 V N 2.112 121.992 119.914 -0.055 0.000 2.343 87 V HA -0.173 3.947 4.120 -0.000 0.000 0.247 87 V C 2.324 178.403 176.094 -0.025 0.000 1.051 87 V CA 1.186 63.444 62.300 -0.070 0.000 1.036 87 V CB -0.400 31.436 31.823 0.021 0.000 0.654 87 V HN 0.202 nan 8.190 nan 0.000 0.451 88 I N 0.051 120.629 120.570 0.013 0.000 2.179 88 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 88 I C 2.603 178.749 176.117 0.048 0.000 1.088 88 I CA 1.984 63.317 61.300 0.056 0.000 1.357 88 I CB -0.532 37.480 38.000 0.020 0.000 1.051 88 I HN 0.296 nan 8.210 nan 0.000 0.409 89 K N 1.335 121.743 120.400 0.013 0.000 2.059 89 K HA -0.273 4.047 4.320 -0.000 0.000 0.212 89 K C 2.413 178.994 176.600 -0.032 0.000 1.050 89 K CA 1.717 58.016 56.287 0.020 0.000 0.927 89 K CB -0.187 32.303 32.500 -0.015 0.000 0.714 89 K HN 0.135 nan 8.250 nan 0.000 0.447 90 R N -0.474 119.915 120.500 -0.185 0.000 2.083 90 R HA -0.145 4.195 4.340 -0.000 0.000 0.237 90 R C 2.116 178.234 176.300 -0.304 0.000 1.137 90 R CA 2.035 57.923 56.100 -0.354 0.000 0.951 90 R CB -0.280 29.683 30.300 -0.563 0.000 0.851 90 R HN 0.275 nan 8.270 nan 0.000 0.434 91 F N 0.058 119.949 119.950 -0.098 0.000 2.512 91 F HA 0.003 4.530 4.527 -0.000 0.000 0.296 91 F C 2.055 177.831 175.800 -0.040 0.000 1.110 91 F CA 0.142 58.081 58.000 -0.102 0.000 1.446 91 F CB 0.124 39.029 39.000 -0.159 0.000 1.092 91 F HN -0.001 nan 8.300 nan 0.000 0.554 92 L N -0.844 120.477 121.223 0.162 0.000 2.093 92 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 92 L C 2.313 179.230 176.870 0.078 0.000 1.085 92 L CA 1.251 56.153 54.840 0.102 0.000 0.755 92 L CB -0.675 41.437 42.059 0.088 0.000 0.904 92 L HN 0.157 nan 8.230 nan 0.000 0.435 93 H N -0.063 118.993 119.070 -0.024 0.000 2.321 93 H HA -0.164 4.392 4.556 -0.000 0.000 0.300 93 H C 2.141 177.455 175.328 -0.024 0.000 1.087 93 H CA 1.509 57.536 56.048 -0.035 0.000 1.319 93 H CB -0.002 29.724 29.762 -0.059 0.000 1.379 93 H HN 0.286 nan 8.280 nan 0.000 0.501 94 E N 0.079 120.348 120.200 0.116 0.000 2.268 94 E HA 0.041 4.391 4.350 -0.000 0.000 0.195 94 E C 0.514 177.150 176.600 0.060 0.000 0.995 94 E CA 0.353 56.798 56.400 0.075 0.000 0.836 94 E CB 0.169 29.923 29.700 0.089 0.000 0.763 94 E HN 0.361 nan 8.360 nan 0.000 0.491 95 A N 0.472 123.325 122.820 0.054 0.000 2.331 95 A HA 0.215 4.534 4.320 -0.000 0.000 0.283 95 A C 0.962 178.539 177.584 -0.013 0.000 1.142 95 A CA -0.194 51.853 52.037 0.018 0.000 0.812 95 A CB 1.393 20.397 19.000 0.007 0.000 1.074 95 A HN 0.030 nan 8.150 nan 0.000 0.497 96 S N 0.994 116.681 115.700 -0.022 0.000 2.404 96 S HA 0.072 4.542 4.470 -0.000 0.000 0.223 96 S C 0.498 175.068 174.600 -0.050 0.000 1.040 96 S CA 0.956 59.137 58.200 -0.031 0.000 0.957 96 S CB -0.122 63.064 63.200 -0.023 0.000 0.826 96 S HN 0.788 nan 8.310 nan 0.000 0.491 97 E N 0.819 120.977 120.200 -0.070 0.000 2.234 97 E HA 0.452 4.802 4.350 -0.000 0.000 0.266 97 E C -1.284 175.229 176.600 -0.145 0.000 0.877 97 E CA -0.527 55.811 56.400 -0.103 0.000 0.758 97 E CB 1.756 31.385 29.700 -0.118 0.000 1.170 97 E HN 0.161 nan 8.360 nan 0.000 0.415 98 I N 2.539 123.026 120.570 -0.139 0.000 2.377 98 I HA 0.360 4.530 4.170 -0.000 0.000 0.293 98 I C -0.416 175.582 176.117 -0.198 0.000 0.987 98 I CA -0.974 60.235 61.300 -0.152 0.000 1.185 98 I CB 1.328 39.275 38.000 -0.088 0.000 1.341 98 I HN 0.290 nan 8.210 nan 0.000 0.455 99 V N 5.368 125.118 119.914 -0.273 0.000 2.378 99 V HA 0.196 4.316 4.120 -0.000 0.000 0.288 99 V C 0.040 176.110 176.094 -0.039 0.000 1.016 99 V CA -0.710 61.446 62.300 -0.239 0.000 0.840 99 V CB 1.368 32.852 31.823 -0.564 0.000 0.994 99 V HN 0.630 nan 8.190 nan 0.000 0.431 100 H N 4.917 123.919 119.070 -0.112 0.000 2.944 100 H HA 0.474 5.030 4.556 -0.000 0.000 0.278 100 H C 0.261 175.547 175.328 -0.069 0.000 1.083 100 H CA -0.074 55.923 56.048 -0.085 0.000 1.479 100 H CB 1.344 31.033 29.762 -0.122 0.000 1.486 100 H HN 0.702 nan 8.280 nan 0.000 0.493 101 A N 4.970 127.977 122.820 0.312 0.000 2.812 101 A HA 0.384 4.704 4.320 -0.000 0.000 0.294 101 A C 1.106 178.795 177.584 0.176 0.000 1.014 101 A CA -0.036 52.124 52.037 0.205 0.000 1.024 101 A CB -0.249 18.871 19.000 0.200 0.000 1.162 101 A HN 0.786 nan 8.150 nan 0.000 0.511 102 G N -0.401 108.582 108.800 0.305 0.000 2.667 102 G HA2 0.358 4.318 3.960 -0.000 0.000 0.250 102 G HA3 0.358 4.318 3.960 -0.000 0.000 0.250 102 G C -0.433 174.491 174.900 0.040 0.000 1.212 102 G CA -0.267 44.940 45.100 0.178 0.000 0.874 102 G HN 0.325 nan 8.290 nan 0.000 0.561 103 D N 0.464 120.855 120.400 -0.015 0.000 2.515 103 D HA 0.056 4.696 4.640 -0.000 0.000 0.232 103 D C -1.397 174.782 176.300 -0.202 0.000 1.157 103 D CA -0.484 53.419 54.000 -0.162 0.000 0.871 103 D CB 1.048 41.788 40.800 -0.099 0.000 1.200 103 D HN 0.101 nan 8.370 nan 0.000 0.466 104 P HA 0.050 nan 4.420 nan 0.000 0.246 104 P C -1.008 176.280 177.300 -0.020 0.000 1.686 104 P CA -0.026 62.959 63.100 -0.192 0.000 0.867 104 P CB -0.114 31.448 31.700 -0.229 0.000 1.733 105 D N -2.097 118.297 120.400 -0.010 0.000 2.664 105 D HA 0.173 4.813 4.640 -0.000 0.000 0.292 105 D C 1.427 177.780 176.300 0.090 0.000 1.214 105 D CA -1.054 53.007 54.000 0.101 0.000 0.932 105 D CB 0.655 41.451 40.800 -0.007 0.000 1.420 105 D HN -0.144 nan 8.370 nan 0.000 0.471 106 R N -0.189 120.377 120.500 0.110 0.000 2.091 106 R HA -0.121 4.219 4.340 -0.000 0.000 0.238 106 R C 1.081 177.432 176.300 0.085 0.000 1.136 106 R CA 1.148 57.302 56.100 0.091 0.000 0.959 106 R CB -0.578 29.768 30.300 0.078 0.000 0.856 106 R HN 0.339 nan 8.270 nan 0.000 0.437 107 E N 0.608 120.861 120.200 0.088 0.000 2.153 107 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 107 E C 2.145 178.794 176.600 0.082 0.000 0.988 107 E CA 1.501 57.964 56.400 0.104 0.000 0.811 107 E CB -0.347 29.423 29.700 0.118 0.000 0.746 107 E HN 0.668 nan 8.360 nan 0.000 0.466 108 G N 0.816 109.654 108.800 0.063 0.000 2.408 108 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.217 108 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.217 108 G C 1.620 176.598 174.900 0.129 0.000 1.150 108 G CA 0.707 45.841 45.100 0.057 0.000 0.776 108 G HN 0.196 nan 8.290 nan 0.000 0.542 109 Q N -0.027 119.833 119.800 0.100 0.000 2.030 109 Q HA -0.052 4.288 4.340 -0.000 0.000 0.204 109 Q C 2.380 178.517 176.000 0.227 0.000 0.986 109 Q CA 1.283 57.166 55.803 0.133 0.000 0.843 109 Q CB -0.611 28.171 28.738 0.074 0.000 0.904 109 Q HN 0.379 nan 8.270 nan 0.000 0.420 110 L N -0.374 120.930 121.223 0.134 0.000 2.017 110 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 110 L C 2.168 179.090 176.870 0.086 0.000 1.073 110 L CA 1.510 56.416 54.840 0.111 0.000 0.745 110 L CB -0.853 41.270 42.059 0.106 0.000 0.894 110 L HN 0.430 nan 8.230 nan 0.000 0.432 111 L N -1.245 120.009 121.223 0.051 0.000 2.010 111 L HA -0.279 4.061 4.340 -0.000 0.000 0.219 111 L C 2.252 179.076 176.870 -0.077 0.000 1.077 111 L CA 2.221 57.035 54.840 -0.044 0.000 0.773 111 L CB -0.462 41.510 42.059 -0.144 0.000 0.892 111 L HN 0.159 nan 8.230 nan 0.000 0.436 112 V N -1.344 118.467 119.914 -0.172 0.000 2.725 112 V HA -0.135 3.985 4.120 -0.000 0.000 0.247 112 V C 2.040 177.985 176.094 -0.248 0.000 1.058 112 V CA 1.299 63.370 62.300 -0.381 0.000 1.080 112 V CB -0.564 30.658 31.823 -1.002 0.000 0.713 112 V HN 0.391 nan 8.190 nan 0.000 0.465 113 D N 0.412 120.764 120.400 -0.080 0.000 2.144 113 D HA -0.149 4.490 4.640 -0.000 0.000 0.199 113 D C 2.225 178.540 176.300 0.026 0.000 0.984 113 D CA 1.158 55.175 54.000 0.027 0.000 0.834 113 D CB -0.032 40.834 40.800 0.109 0.000 0.955 113 D HN 0.496 nan 8.370 nan 0.000 0.465 114 E N -0.100 120.120 120.200 0.033 0.000 2.110 114 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 114 E C 2.170 178.815 176.600 0.076 0.000 0.988 114 E CA 0.542 56.976 56.400 0.057 0.000 0.804 114 E CB 0.202 29.938 29.700 0.059 0.000 0.745 114 E HN 0.087 nan 8.360 nan 0.000 0.458 115 V N 1.290 121.225 119.914 0.035 0.000 2.358 115 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 115 V C 2.237 178.375 176.094 0.074 0.000 1.047 115 V CA 1.278 63.611 62.300 0.054 0.000 1.035 115 V CB -0.332 31.489 31.823 -0.003 0.000 0.658 115 V HN 0.280 nan 8.190 nan 0.000 0.452 116 L N -0.496 120.741 121.223 0.023 0.000 2.083 116 L HA -0.165 4.174 4.340 -0.000 0.000 0.209 116 L C 2.326 179.219 176.870 0.038 0.000 1.083 116 L CA 1.546 56.397 54.840 0.017 0.000 0.752 116 L CB -0.661 41.392 42.059 -0.010 0.000 0.899 116 L HN 0.373 nan 8.230 nan 0.000 0.433 117 D N -0.854 119.582 120.400 0.060 0.000 2.103 117 D HA -0.196 4.444 4.640 -0.000 0.000 0.199 117 D C 1.966 178.315 176.300 0.082 0.000 0.978 117 D CA 1.126 55.162 54.000 0.061 0.000 0.829 117 D CB 0.008 40.846 40.800 0.065 0.000 0.981 117 D HN 0.245 nan 8.370 nan 0.000 0.464 118 Y N 1.774 122.080 120.300 0.009 0.000 2.097 118 Y HA -0.159 4.391 4.550 -0.000 0.000 0.282 118 Y C 2.167 178.075 175.900 0.014 0.000 1.152 118 Y CA 1.405 59.514 58.100 0.015 0.000 1.136 118 Y CB -0.376 38.096 38.460 0.019 0.000 0.975 118 Y HN -0.105 nan 8.280 nan 0.000 0.498 119 L N 0.664 121.948 121.223 0.101 0.000 2.622 119 L HA -0.111 4.229 4.340 -0.000 0.000 0.233 119 L C 0.258 177.113 176.870 -0.026 0.000 1.156 119 L CA 0.699 55.556 54.840 0.029 0.000 0.866 119 L CB -0.719 41.402 42.059 0.104 0.000 0.980 119 L HN 0.330 nan 8.230 nan 0.000 0.448 120 Q N 0.464 120.237 119.800 -0.045 0.000 2.457 120 Q HA -0.201 4.139 4.340 -0.000 0.000 0.333 120 Q C -0.241 175.730 176.000 -0.050 0.000 1.448 120 Q CA 0.091 55.863 55.803 -0.053 0.000 0.891 120 Q CB -1.412 27.280 28.738 -0.076 0.000 1.142 120 Q HN 0.258 nan 8.270 nan 0.000 0.375 121 L N 0.662 121.861 121.223 -0.039 0.000 2.499 121 L HA 0.300 4.640 4.340 -0.000 0.000 0.273 121 L C 0.529 177.356 176.870 -0.071 0.000 1.195 121 L CA 1.166 55.970 54.840 -0.060 0.000 0.882 121 L CB 0.567 42.601 42.059 -0.041 0.000 1.133 121 L HN 0.399 nan 8.230 nan 0.000 0.483 122 A N 6.729 129.488 122.820 -0.102 0.000 2.565 122 A HA 0.210 4.530 4.320 -0.000 0.000 0.237 122 A C -1.427 176.119 177.584 -0.063 0.000 1.053 122 A CA -0.516 51.467 52.037 -0.089 0.000 0.755 122 A CB -0.576 18.357 19.000 -0.112 0.000 0.980 122 A HN 0.833 nan 8.150 nan 0.000 0.506 123 P HA -0.210 nan 4.420 nan 0.000 0.217 123 P C 0.791 178.068 177.300 -0.039 0.000 1.151 123 P CA 1.929 65.007 63.100 -0.036 0.000 0.849 123 P CB 0.136 31.822 31.700 -0.025 0.000 0.787 124 E N -0.418 119.757 120.200 -0.042 0.000 2.152 124 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 124 E C 1.783 178.356 176.600 -0.045 0.000 0.983 124 E CA 1.047 57.423 56.400 -0.039 0.000 0.818 124 E CB -0.576 29.102 29.700 -0.037 0.000 0.758 124 E HN 0.306 nan 8.360 nan 0.000 0.467 125 K N 0.301 120.669 120.400 -0.053 0.000 2.076 125 K HA 0.087 4.407 4.320 -0.000 0.000 0.204 125 K C 2.231 178.800 176.600 -0.052 0.000 1.051 125 K CA 0.278 56.532 56.287 -0.055 0.000 0.949 125 K CB 0.015 32.476 32.500 -0.065 0.000 0.726 125 K HN -0.080 nan 8.250 nan 0.000 0.443 126 R N 1.745 122.215 120.500 -0.050 0.000 2.091 126 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 126 R C 2.198 178.466 176.300 -0.053 0.000 1.136 126 R CA 1.560 57.632 56.100 -0.046 0.000 0.959 126 R CB -0.239 30.035 30.300 -0.044 0.000 0.856 126 R HN 0.333 nan 8.270 nan 0.000 0.437 127 Q N -0.004 119.761 119.800 -0.059 0.000 2.096 127 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 127 Q C 1.720 177.689 176.000 -0.052 0.000 0.982 127 Q CA 1.630 57.395 55.803 -0.065 0.000 0.850 127 Q CB 0.155 28.860 28.738 -0.055 0.000 0.901 127 Q HN 0.302 nan 8.270 nan 0.000 0.422 128 Q N -0.353 119.420 119.800 -0.046 0.000 2.432 128 Q HA 0.057 4.397 4.340 -0.000 0.000 0.205 128 Q C 0.273 176.246 176.000 -0.045 0.000 0.945 128 Q CA 0.136 55.913 55.803 -0.043 0.000 0.924 128 Q CB 0.148 28.859 28.738 -0.044 0.000 1.016 128 Q HN 0.192 nan 8.270 nan 0.000 0.503 129 V N 2.876 122.764 119.914 -0.044 0.000 2.644 129 V HA -0.137 3.983 4.120 -0.000 0.000 0.305 129 V C 0.592 176.662 176.094 -0.039 0.000 1.053 129 V CA 0.814 63.088 62.300 -0.043 0.000 1.186 129 V CB 0.144 31.953 31.823 -0.023 0.000 0.895 129 V HN 0.258 nan 8.190 nan 0.000 0.490 130 Q N 3.016 122.780 119.800 -0.059 0.000 2.297 130 Q HA 0.691 5.031 4.340 -0.000 0.000 0.269 130 Q C -0.548 175.395 176.000 -0.096 0.000 1.051 130 Q CA -1.100 54.665 55.803 -0.063 0.000 0.869 130 Q CB 2.058 30.757 28.738 -0.066 0.000 1.346 130 Q HN 0.562 nan 8.270 nan 0.000 0.457 131 R N 0.272 120.681 120.500 -0.152 0.000 2.437 131 R HA 0.410 4.750 4.340 -0.000 0.000 0.310 131 R C -1.811 174.370 176.300 -0.197 0.000 0.955 131 R CA -0.307 55.605 56.100 -0.314 0.000 0.851 131 R CB 1.233 31.063 30.300 -0.783 0.000 1.161 131 R HN 0.684 nan 8.270 nan 0.000 0.446 132 C N 7.134 126.356 119.300 -0.130 0.000 2.271 132 C HA 0.537 4.997 4.460 -0.000 0.000 0.323 132 C C -0.799 174.153 174.990 -0.063 0.000 1.245 132 C CA -0.817 58.186 59.018 -0.026 0.000 1.548 132 C CB -0.669 27.134 27.740 0.106 0.000 2.214 132 C HN 0.795 nan 8.230 nan 0.000 0.477 133 L N 7.601 128.793 121.223 -0.051 0.000 2.255 133 L HA 0.527 4.867 4.340 -0.000 0.000 0.289 133 L C -0.223 176.648 176.870 0.002 0.000 1.046 133 L CA -0.034 54.778 54.840 -0.047 0.000 0.816 133 L CB 0.759 42.814 42.059 -0.007 0.000 1.197 133 L HN 0.570 nan 8.230 nan 0.000 0.427 134 I N 3.795 124.351 120.570 -0.022 0.000 2.382 134 I HA 0.271 4.441 4.170 -0.000 0.000 0.286 134 I C 0.512 176.645 176.117 0.027 0.000 1.002 134 I CA -0.178 61.137 61.300 0.025 0.000 1.135 134 I CB 1.446 39.467 38.000 0.035 0.000 1.288 134 I HN 0.603 nan 8.210 nan 0.000 0.448 135 N N 3.437 122.206 118.700 0.115 0.000 2.197 135 N HA 0.085 4.825 4.740 -0.000 0.000 0.201 135 N C -0.551 175.176 175.510 0.362 0.000 1.148 135 N CA 0.290 53.432 53.050 0.154 0.000 0.883 135 N CB 0.959 39.488 38.487 0.069 0.000 1.012 135 N HN 0.573 nan 8.380 nan 0.000 0.507 136 D N 0.292 120.888 120.400 0.326 0.000 2.966 136 D HA 0.192 4.832 4.640 -0.000 0.000 0.222 136 D C 0.171 176.532 176.300 0.102 0.000 1.292 136 D CA -0.397 53.773 54.000 0.284 0.000 0.907 136 D CB 1.548 42.498 40.800 0.251 0.000 1.621 136 D HN -0.152 nan 8.370 nan 0.000 0.557 137 L N 2.258 123.447 121.223 -0.057 0.000 2.592 137 L HA 0.171 4.511 4.340 -0.000 0.000 0.227 137 L C 0.928 177.745 176.870 -0.088 0.000 1.127 137 L CA -0.135 54.615 54.840 -0.149 0.000 0.884 137 L CB -0.228 41.617 42.059 -0.357 0.000 1.065 137 L HN 0.222 nan 8.230 nan 0.000 0.457 138 N N 1.358 120.038 118.700 -0.033 0.000 2.454 138 N HA 0.018 4.758 4.740 -0.000 0.000 0.254 138 N C -1.643 173.860 175.510 -0.012 0.000 1.228 138 N CA -0.861 52.180 53.050 -0.016 0.000 0.900 138 N CB 0.958 39.453 38.487 0.014 0.000 1.089 138 N HN -0.157 nan 8.380 nan 0.000 0.449 139 P HA -0.213 nan 4.420 nan 0.000 0.217 139 P C 1.380 178.679 177.300 -0.002 0.000 1.151 139 P CA 1.453 64.544 63.100 -0.016 0.000 0.849 139 P CB 0.308 32.002 31.700 -0.011 0.000 0.787 140 Q N -0.760 119.045 119.800 0.008 0.000 2.084 140 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 140 Q C 2.083 178.097 176.000 0.023 0.000 0.978 140 Q CA 1.876 57.688 55.803 0.015 0.000 0.844 140 Q CB -0.689 28.059 28.738 0.017 0.000 0.898 140 Q HN 0.111 nan 8.270 nan 0.000 0.426 141 A N -0.327 122.512 122.820 0.032 0.000 1.877 141 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 141 A C 2.223 179.834 177.584 0.046 0.000 1.186 141 A CA 1.549 53.618 52.037 0.053 0.000 0.620 141 A CB -0.849 18.202 19.000 0.084 0.000 0.822 141 A HN 0.302 nan 8.150 nan 0.000 0.443 142 V N 0.138 120.066 119.914 0.022 0.000 2.287 142 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 142 V C 2.425 178.523 176.094 0.006 0.000 1.053 142 V CA 2.368 64.669 62.300 0.002 0.000 1.027 142 V CB -0.916 30.883 31.823 -0.039 0.000 0.646 142 V HN 0.635 nan 8.190 nan 0.000 0.447 143 E N -0.372 119.831 120.200 0.005 0.000 2.118 143 E HA -0.271 4.079 4.350 -0.000 0.000 0.195 143 E C 2.471 179.091 176.600 0.033 0.000 0.992 143 E CA 1.363 57.773 56.400 0.016 0.000 0.804 143 E CB -0.189 29.519 29.700 0.013 0.000 0.741 143 E HN 0.435 nan 8.360 nan 0.000 0.458 144 R N 0.445 120.967 120.500 0.037 0.000 2.073 144 R HA -0.137 4.203 4.340 -0.000 0.000 0.234 144 R C 2.299 178.634 176.300 0.058 0.000 1.134 144 R CA 1.282 57.410 56.100 0.046 0.000 0.952 144 R CB -0.228 30.100 30.300 0.047 0.000 0.850 144 R HN 0.132 nan 8.270 nan 0.000 0.433 145 A N 1.124 123.982 122.820 0.063 0.000 1.940 145 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 145 A C 2.134 179.763 177.584 0.076 0.000 1.176 145 A CA 1.466 53.545 52.037 0.070 0.000 0.631 145 A CB -0.524 18.516 19.000 0.065 0.000 0.814 145 A HN 0.387 nan 8.150 nan 0.000 0.446 146 I N -0.420 120.198 120.570 0.080 0.000 2.676 146 I HA -0.150 4.019 4.170 -0.000 0.000 0.259 146 I C 1.105 177.278 176.117 0.094 0.000 1.194 146 I CA 1.045 62.415 61.300 0.117 0.000 1.473 146 I CB -0.275 37.801 38.000 0.126 0.000 1.096 146 I HN 0.231 nan 8.210 nan 0.000 0.443 147 D N 0.667 121.109 120.400 0.070 0.000 2.348 147 D HA 0.018 4.658 4.640 -0.000 0.000 0.211 147 D C 1.522 177.855 176.300 0.056 0.000 0.998 147 D CA 0.584 54.619 54.000 0.058 0.000 0.873 147 D CB 0.126 40.955 40.800 0.049 0.000 0.925 147 D HN 0.269 nan 8.370 nan 0.000 0.524 148 R N 0.295 120.832 120.500 0.062 0.000 2.552 148 R HA 0.251 4.591 4.340 -0.000 0.000 0.314 148 R C 0.183 176.521 176.300 0.065 0.000 1.041 148 R CA -0.302 55.836 56.100 0.064 0.000 1.076 148 R CB 0.522 30.866 30.300 0.073 0.000 1.290 148 R HN 0.041 nan 8.270 nan 0.000 0.563 149 L N 2.634 123.890 121.223 0.055 0.000 2.667 149 L HA -0.086 4.254 4.340 -0.000 0.000 0.278 149 L C 0.584 177.483 176.870 0.049 0.000 1.217 149 L CA 1.039 55.902 54.840 0.040 0.000 0.935 149 L CB -0.055 42.018 42.059 0.024 0.000 1.193 149 L HN 0.047 nan 8.230 nan 0.000 0.493 150 R N 2.205 122.746 120.500 0.068 0.000 2.720 150 R HA 0.331 4.671 4.340 -0.000 0.000 0.272 150 R C -0.241 176.120 176.300 0.102 0.000 0.991 150 R CA -0.800 55.373 56.100 0.121 0.000 1.010 150 R CB 1.818 32.272 30.300 0.255 0.000 1.141 150 R HN 0.537 nan 8.270 nan 0.000 0.494 151 S N 0.743 116.504 115.700 0.103 0.000 2.533 151 S HA -0.051 4.419 4.470 -0.000 0.000 0.282 151 S C 1.091 175.782 174.600 0.152 0.000 1.304 151 S CA -0.323 57.922 58.200 0.074 0.000 1.063 151 S CB 0.364 63.588 63.200 0.040 0.000 0.881 151 S HN 0.588 nan 8.310 nan 0.000 0.493 152 N N 3.228 121.969 118.700 0.070 0.000 2.443 152 N HA -0.121 4.619 4.740 -0.000 0.000 0.184 152 N C 1.843 177.448 175.510 0.158 0.000 1.037 152 N CA 1.486 54.581 53.050 0.076 0.000 0.896 152 N CB -0.253 38.223 38.487 -0.018 0.000 0.959 152 N HN 0.675 nan 8.380 nan 0.000 0.442 153 S N -0.091 115.658 115.700 0.082 0.000 2.447 153 S HA -0.144 4.326 4.470 -0.000 0.000 0.233 153 S C 1.251 175.869 174.600 0.030 0.000 1.006 153 S CA 0.866 59.078 58.200 0.020 0.000 0.957 153 S CB -0.469 62.702 63.200 -0.048 0.000 0.773 153 S HN 0.630 nan 8.310 nan 0.000 0.507 154 E N -0.414 119.830 120.200 0.073 0.000 2.437 154 E HA 0.122 4.472 4.350 -0.000 0.000 0.189 154 E C -0.011 176.430 176.600 -0.266 0.000 1.054 154 E CA -0.160 56.193 56.400 -0.078 0.000 0.874 154 E CB -0.321 29.305 29.700 -0.123 0.000 1.011 154 E HN 0.647 nan 8.360 nan 0.000 0.474 155 F N -0.248 119.665 119.950 -0.060 0.000 2.706 155 F HA 0.180 4.707 4.527 -0.000 0.000 0.313 155 F C 1.753 177.511 175.800 -0.071 0.000 1.096 155 F CA -0.383 57.575 58.000 -0.070 0.000 1.219 155 F CB 0.602 39.542 39.000 -0.101 0.000 1.051 155 F HN -0.116 nan 8.300 nan 0.000 0.568 156 V N 2.026 121.977 119.914 0.062 0.000 2.250 156 V HA -0.273 3.847 4.120 -0.000 0.000 0.250 156 V C -0.269 175.757 176.094 -0.113 0.000 1.060 156 V CA 2.443 64.739 62.300 -0.006 0.000 1.030 156 V CB -1.335 30.490 31.823 0.003 0.000 0.643 156 V HN 0.152 nan 8.190 nan 0.000 0.445 157 P HA -0.168 nan 4.420 nan 0.000 0.216 157 P C 1.866 179.060 177.300 -0.175 0.000 1.153 157 P CA 1.290 64.210 63.100 -0.301 0.000 0.858 157 P CB -0.103 31.515 31.700 -0.136 0.000 0.789 158 L N -0.700 120.476 121.223 -0.078 0.000 2.083 158 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 158 L C 2.423 179.292 176.870 -0.001 0.000 1.083 158 L CA 1.795 56.627 54.840 -0.014 0.000 0.752 158 L CB -1.414 40.686 42.059 0.069 0.000 0.899 158 L HN 0.046 nan 8.230 nan 0.000 0.433 159 C N -1.677 117.626 119.300 0.005 0.000 2.446 159 C HA -0.093 4.367 4.460 -0.000 0.000 0.277 159 C C 2.647 177.625 174.990 -0.020 0.000 1.275 159 C CA 1.017 60.045 59.018 0.017 0.000 1.727 159 C CB -0.817 26.944 27.740 0.035 0.000 2.010 159 C HN 0.479 nan 8.230 nan 0.000 0.486 160 V N 0.756 120.628 119.914 -0.070 0.000 2.295 160 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 160 V C 2.778 178.858 176.094 -0.022 0.000 1.049 160 V CA 2.395 64.663 62.300 -0.054 0.000 1.024 160 V CB -1.278 30.467 31.823 -0.129 0.000 0.648 160 V HN 0.723 nan 8.190 nan 0.000 0.447 161 S N 0.499 116.156 115.700 -0.072 0.000 2.368 161 S HA -0.315 4.155 4.470 -0.000 0.000 0.226 161 S C 2.122 176.671 174.600 -0.084 0.000 1.044 161 S CA 2.249 60.386 58.200 -0.105 0.000 1.062 161 S CB -0.506 62.640 63.200 -0.089 0.000 0.931 161 S HN 0.652 nan 8.310 nan 0.000 0.440 162 A N 0.891 123.694 122.820 -0.029 0.000 1.933 162 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 162 A C 2.219 179.801 177.584 -0.002 0.000 1.175 162 A CA 1.713 53.753 52.037 0.004 0.000 0.628 162 A CB -0.839 18.184 19.000 0.038 0.000 0.814 162 A HN 0.596 nan 8.150 nan 0.000 0.444 163 L N -0.566 120.649 121.223 -0.013 0.000 2.109 163 L HA 0.065 4.405 4.340 -0.000 0.000 0.207 163 L C 2.670 179.517 176.870 -0.038 0.000 1.086 163 L CA 1.926 56.743 54.840 -0.039 0.000 0.760 163 L CB -0.727 41.303 42.059 -0.049 0.000 0.910 163 L HN 0.326 nan 8.230 nan 0.000 0.437 164 A N -0.556 122.279 122.820 0.025 0.000 1.902 164 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 164 A C 2.472 180.047 177.584 -0.014 0.000 1.181 164 A CA 1.430 53.492 52.037 0.040 0.000 0.623 164 A CB -0.621 18.326 19.000 -0.090 0.000 0.818 164 A HN 0.386 nan 8.150 nan 0.000 0.443 165 R N 0.071 120.528 120.500 -0.072 0.000 2.080 165 R HA -0.166 4.174 4.340 -0.000 0.000 0.236 165 R C 2.318 178.680 176.300 0.103 0.000 1.137 165 R CA 1.940 58.061 56.100 0.035 0.000 0.943 165 R CB -0.938 29.387 30.300 0.042 0.000 0.846 165 R HN 0.454 nan 8.270 nan 0.000 0.431 166 A N 0.854 123.700 122.820 0.043 0.000 1.902 166 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 166 A C 2.334 179.934 177.584 0.026 0.000 1.181 166 A CA 1.489 53.555 52.037 0.049 0.000 0.623 166 A CB -0.364 18.634 19.000 -0.004 0.000 0.818 166 A HN 0.363 nan 8.150 nan 0.000 0.443 167 R N -0.696 119.713 120.500 -0.152 0.000 2.073 167 R HA 0.061 4.401 4.340 -0.000 0.000 0.229 167 R C 2.513 178.861 176.300 0.080 0.000 1.120 167 R CA 1.001 56.885 56.100 -0.360 0.000 0.967 167 R CB -0.434 29.300 30.300 -0.943 0.000 0.862 167 R HN 0.484 nan 8.270 nan 0.000 0.436 168 A N 1.567 124.433 122.820 0.077 0.000 1.908 168 A HA -0.219 4.100 4.320 -0.000 0.000 0.218 168 A C 1.557 179.361 177.584 0.365 0.000 1.181 168 A CA 1.880 53.950 52.037 0.054 0.000 0.627 168 A CB -0.410 18.392 19.000 -0.330 0.000 0.818 168 A HN 0.174 nan 8.150 nan 0.000 0.445 169 D N -1.841 118.824 120.400 0.442 0.000 2.144 169 D HA -0.146 4.494 4.640 -0.000 0.000 0.200 169 D C 1.627 178.197 176.300 0.450 0.000 0.978 169 D CA 1.065 55.363 54.000 0.497 0.000 0.833 169 D CB -0.347 40.680 40.800 0.377 0.000 0.961 169 D HN 0.758 nan 8.370 nan 0.000 0.470 170 W N 1.527 122.967 121.300 0.232 0.000 2.354 170 W HA -0.123 4.537 4.660 -0.000 0.000 0.315 170 W C 2.179 178.831 176.519 0.221 0.000 1.206 170 W CA 0.983 58.462 57.345 0.224 0.000 1.290 170 W CB -0.376 29.250 29.460 0.276 0.000 1.152 170 W HN -0.116 nan 8.180 nan 0.000 0.489 171 L N -0.543 121.130 121.223 0.750 0.000 2.013 171 L HA -0.298 4.042 4.340 -0.000 0.000 0.212 171 L C 2.450 179.459 176.870 0.232 0.000 1.073 171 L CA 1.973 57.121 54.840 0.513 0.000 0.753 171 L CB -1.239 41.088 42.059 0.446 0.000 0.890 171 L HN 0.148 nan 8.230 nan 0.000 0.432 172 Y N 0.298 120.713 120.300 0.192 0.000 2.153 172 Y HA -0.103 4.447 4.550 -0.000 0.000 0.289 172 Y C 2.320 178.241 175.900 0.035 0.000 1.127 172 Y CA 1.580 59.766 58.100 0.143 0.000 1.131 172 Y CB -0.630 38.008 38.460 0.296 0.000 0.995 172 Y HN 0.044 nan 8.280 nan 0.000 0.505 173 G N 0.602 109.457 108.800 0.093 0.000 2.408 173 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.217 173 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.217 173 G C 1.565 176.317 174.900 -0.248 0.000 1.150 173 G CA 1.045 46.103 45.100 -0.069 0.000 0.776 173 G HN 0.377 nan 8.290 nan 0.000 0.542 174 I N 1.502 121.835 120.570 -0.395 0.000 2.202 174 I HA -0.107 4.063 4.170 -0.000 0.000 0.242 174 I C 2.304 178.099 176.117 -0.538 0.000 1.091 174 I CA 0.969 61.907 61.300 -0.604 0.000 1.368 174 I CB -0.903 36.424 38.000 -1.121 0.000 1.058 174 I HN 0.159 nan 8.210 nan 0.000 0.410 175 N N 0.338 118.766 118.700 -0.454 0.000 2.173 175 N HA -0.081 4.659 4.740 -0.000 0.000 0.184 175 N C 1.871 177.184 175.510 -0.330 0.000 1.025 175 N CA 1.078 53.887 53.050 -0.402 0.000 0.852 175 N CB -0.071 38.219 38.487 -0.328 0.000 0.998 175 N HN 0.213 nan 8.380 nan 0.000 0.427 176 M N 0.899 120.311 119.600 -0.313 0.000 2.117 176 M HA -0.079 4.401 4.480 -0.000 0.000 0.262 176 M C 1.970 178.235 176.300 -0.059 0.000 1.065 176 M CA 1.284 56.469 55.300 -0.191 0.000 1.114 176 M CB -1.444 30.900 32.600 -0.426 0.000 1.361 176 M HN 0.071 nan 8.290 nan 0.000 0.408 177 T N -0.057 114.401 114.554 -0.160 0.000 2.746 177 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 177 T C 2.024 176.654 174.700 -0.118 0.000 1.039 177 T CA 1.319 63.371 62.100 -0.079 0.000 1.142 177 T CB -0.169 68.639 68.868 -0.100 0.000 0.866 177 T HN 0.328 nan 8.240 nan 0.000 0.444 178 R N 0.643 120.911 120.500 -0.386 0.000 2.066 178 R HA 0.051 4.391 4.340 -0.000 0.000 0.232 178 R C 2.766 178.945 176.300 -0.201 0.000 1.131 178 R CA 1.304 57.078 56.100 -0.543 0.000 0.955 178 R CB -0.457 29.315 30.300 -0.880 0.000 0.851 178 R HN 0.364 nan 8.270 nan 0.000 0.432 179 A N -0.023 122.664 122.820 -0.222 0.000 1.858 179 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 179 A C 1.893 179.303 177.584 -0.290 0.000 1.190 179 A CA 1.295 53.177 52.037 -0.259 0.000 0.617 179 A CB -0.821 17.973 19.000 -0.343 0.000 0.827 179 A HN 0.356 nan 8.150 nan 0.000 0.443 180 Y N 0.625 120.862 120.300 -0.104 0.000 2.293 180 Y HA -0.133 4.417 4.550 -0.000 0.000 0.291 180 Y C 2.944 178.748 175.900 -0.161 0.000 1.137 180 Y CA 1.661 59.684 58.100 -0.127 0.000 1.202 180 Y CB -0.800 37.604 38.460 -0.094 0.000 0.990 180 Y HN 0.275 nan 8.280 nan 0.000 0.537 181 T N 0.528 115.139 114.554 0.095 0.000 2.684 181 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 181 T C 1.976 176.716 174.700 0.068 0.000 1.036 181 T CA 1.696 63.881 62.100 0.142 0.000 1.148 181 T CB -0.477 68.608 68.868 0.362 0.000 0.863 181 T HN 0.256 nan 8.240 nan 0.000 0.436 182 I N 0.647 121.254 120.570 0.062 0.000 2.179 182 I HA -0.160 4.010 4.170 -0.000 0.000 0.242 182 I C 2.276 178.361 176.117 -0.054 0.000 1.088 182 I CA 1.249 62.565 61.300 0.027 0.000 1.357 182 I CB -0.399 37.616 38.000 0.025 0.000 1.051 182 I HN 0.202 nan 8.210 nan 0.000 0.409 183 L N 0.297 121.434 121.223 -0.142 0.000 2.042 183 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 183 L C 2.694 179.410 176.870 -0.256 0.000 1.076 183 L CA 1.649 56.391 54.840 -0.163 0.000 0.749 183 L CB -1.209 40.747 42.059 -0.171 0.000 0.893 183 L HN 0.329 nan 8.230 nan 0.000 0.432 184 G N -0.414 108.096 108.800 -0.483 0.000 2.446 184 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 184 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 184 G C 1.728 176.622 174.900 -0.009 0.000 1.168 184 G CA 0.329 45.192 45.100 -0.395 0.000 0.771 184 G HN 0.155 nan 8.290 nan 0.000 0.551 185 R N 0.648 121.154 120.500 0.009 0.000 2.083 185 R HA -0.048 4.292 4.340 -0.000 0.000 0.237 185 R C 2.237 178.560 176.300 0.037 0.000 1.137 185 R CA 1.098 57.217 56.100 0.032 0.000 0.951 185 R CB -0.922 29.383 30.300 0.009 0.000 0.851 185 R HN 0.307 nan 8.270 nan 0.000 0.434 186 N N 0.845 119.562 118.700 0.028 0.000 2.430 186 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 186 N C 1.037 176.592 175.510 0.075 0.000 1.032 186 N CA 1.199 54.275 53.050 0.043 0.000 0.893 186 N CB 0.014 38.523 38.487 0.036 0.000 0.957 186 N HN 0.232 nan 8.380 nan 0.000 0.442 187 A N -0.836 122.048 122.820 0.108 0.000 2.465 187 A HA 0.533 4.853 4.320 -0.000 0.000 0.255 187 A C 1.364 179.040 177.584 0.154 0.000 1.274 187 A CA 0.427 52.557 52.037 0.154 0.000 0.920 187 A CB 0.085 19.243 19.000 0.263 0.000 1.033 187 A HN 0.235 nan 8.150 nan 0.000 0.516 188 G N -1.747 107.128 108.800 0.125 0.000 2.176 188 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.232 188 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.232 188 G C -0.045 174.949 174.900 0.157 0.000 0.986 188 G CA 0.185 45.354 45.100 0.114 0.000 0.643 188 G HN 0.686 nan 8.290 nan 0.000 0.522 189 Y N 1.688 122.013 120.300 0.042 0.000 2.393 189 Y HA 0.522 5.071 4.550 -0.000 0.000 0.338 189 Y C 1.375 177.281 175.900 0.011 0.000 1.029 189 Y CA 0.322 58.446 58.100 0.040 0.000 1.239 189 Y CB 1.077 39.566 38.460 0.048 0.000 1.170 189 Y HN 0.226 nan 8.280 nan 0.000 0.515 190 Q N 3.436 122.952 119.800 -0.473 0.000 2.408 190 Q HA 0.161 4.501 4.340 -0.000 0.000 0.205 190 Q C 0.836 176.536 176.000 -0.500 0.000 0.919 190 Q CA 0.288 55.870 55.803 -0.369 0.000 0.932 190 Q CB 0.291 28.888 28.738 -0.235 0.000 1.058 190 Q HN 0.990 nan 8.270 nan 0.000 0.517 191 G N -0.172 108.015 108.800 -1.022 0.000 2.535 191 G HA2 0.343 4.303 3.960 -0.000 0.000 0.282 191 G HA3 0.343 4.303 3.960 -0.000 0.000 0.282 191 G C -0.814 173.998 174.900 -0.147 0.000 1.350 191 G CA -0.490 44.247 45.100 -0.605 0.000 1.039 191 G HN 0.065 nan 8.290 nan 0.000 0.509 192 V N 0.368 120.318 119.914 0.060 0.000 2.394 192 V HA 0.279 4.399 4.120 -0.000 0.000 0.282 192 V C 0.055 176.367 176.094 0.362 0.000 1.031 192 V CA -0.356 62.048 62.300 0.174 0.000 0.881 192 V CB 1.322 33.202 31.823 0.095 0.000 0.982 192 V HN 0.454 nan 8.190 nan 0.000 0.451 193 L N 5.670 127.127 121.223 0.390 0.000 2.397 193 L HA 0.320 4.660 4.340 -0.000 0.000 0.263 193 L C 0.792 177.851 176.870 0.315 0.000 1.136 193 L CA -0.098 55.000 54.840 0.431 0.000 1.019 193 L CB 0.559 42.748 42.059 0.217 0.000 1.352 193 L HN 0.782 nan 8.230 nan 0.000 0.420 194 S N 1.445 117.355 115.700 0.349 0.000 2.585 194 S HA 0.613 5.083 4.470 -0.000 0.000 0.273 194 S C -0.101 174.589 174.600 0.149 0.000 1.339 194 S CA -0.713 57.612 58.200 0.209 0.000 1.028 194 S CB 2.017 65.321 63.200 0.172 0.000 0.906 194 S HN 0.181 nan 8.310 nan 0.000 0.528 195 V N 1.222 121.158 119.914 0.036 0.000 2.760 195 V HA 0.859 4.979 4.120 -0.000 0.000 0.309 195 V C 0.411 176.504 176.094 -0.002 0.000 1.077 195 V CA -0.154 62.125 62.300 -0.035 0.000 0.910 195 V CB 1.808 33.525 31.823 -0.176 0.000 1.008 195 V HN 1.309 nan 8.190 nan 0.000 0.424 196 G N 2.221 111.085 108.800 0.108 0.000 2.704 196 G HA2 0.496 4.456 3.960 -0.000 0.000 0.293 196 G HA3 0.496 4.456 3.960 -0.000 0.000 0.293 196 G C -0.038 175.001 174.900 0.231 0.000 1.421 196 G CA -0.582 44.645 45.100 0.211 0.000 0.870 196 G HN 0.624 nan 8.290 nan 0.000 0.492 197 R N -0.124 120.465 120.500 0.148 0.000 2.096 197 R HA -0.037 4.303 4.340 -0.000 0.000 0.235 197 R C 1.734 177.953 176.300 -0.135 0.000 1.127 197 R CA 2.037 58.027 56.100 -0.182 0.000 0.968 197 R CB -0.102 29.948 30.300 -0.417 0.000 0.861 197 R HN 0.343 nan 8.270 nan 0.000 0.440 198 V N 1.102 120.989 119.914 -0.045 0.000 2.436 198 V HA -0.162 3.958 4.120 -0.000 0.000 0.240 198 V C 2.394 178.476 176.094 -0.020 0.000 1.040 198 V CA 1.477 63.753 62.300 -0.041 0.000 1.052 198 V CB -0.309 31.507 31.823 -0.011 0.000 0.707 198 V HN 0.471 nan 8.190 nan 0.000 0.469 199 Q N 0.556 120.367 119.800 0.018 0.000 2.096 199 Q HA -0.206 4.134 4.340 -0.000 0.000 0.204 199 Q C 1.921 177.933 176.000 0.019 0.000 0.982 199 Q CA 2.492 58.313 55.803 0.031 0.000 0.850 199 Q CB -0.851 27.930 28.738 0.071 0.000 0.901 199 Q HN 0.552 nan 8.270 nan 0.000 0.422 200 T N 1.650 116.215 114.554 0.017 0.000 2.812 200 T HA -0.002 4.348 4.350 -0.000 0.000 0.264 200 T C -0.941 173.742 174.700 -0.029 0.000 1.042 200 T CA 1.048 63.145 62.100 -0.005 0.000 1.140 200 T CB -1.005 67.858 68.868 -0.008 0.000 0.870 200 T HN 0.318 nan 8.240 nan 0.000 0.445 201 P HA -0.006 nan 4.420 nan 0.000 0.219 201 P C 1.571 178.806 177.300 -0.109 0.000 1.146 201 P CA 0.488 63.545 63.100 -0.071 0.000 0.808 201 P CB -0.258 31.385 31.700 -0.094 0.000 0.779 202 V N -0.256 119.592 119.914 -0.109 0.000 2.295 202 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 202 V C 2.384 178.380 176.094 -0.163 0.000 1.049 202 V CA 1.635 63.842 62.300 -0.155 0.000 1.024 202 V CB -1.299 30.453 31.823 -0.117 0.000 0.648 202 V HN 0.068 nan 8.190 nan 0.000 0.447 203 L N 1.495 122.660 121.223 -0.097 0.000 2.079 203 L HA -0.067 4.273 4.340 -0.000 0.000 0.210 203 L C 2.317 179.103 176.870 -0.139 0.000 1.081 203 L CA 2.435 57.215 54.840 -0.101 0.000 0.752 203 L CB -1.309 40.713 42.059 -0.062 0.000 0.896 203 L HN 0.272 nan 8.230 nan 0.000 0.433 204 G N -0.303 108.455 108.800 -0.070 0.000 2.446 204 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 204 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 204 G C 1.599 176.393 174.900 -0.177 0.000 1.168 204 G CA 1.174 46.259 45.100 -0.025 0.000 0.771 204 G HN 0.457 nan 8.290 nan 0.000 0.551 205 L N 0.090 121.180 121.223 -0.221 0.000 2.042 205 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 205 L C 2.998 179.806 176.870 -0.103 0.000 1.076 205 L CA 0.650 55.318 54.840 -0.287 0.000 0.749 205 L CB -0.551 41.194 42.059 -0.523 0.000 0.893 205 L HN 0.112 nan 8.230 nan 0.000 0.432 206 V N -0.897 118.927 119.914 -0.150 0.000 2.358 206 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 206 V C 2.380 178.433 176.094 -0.068 0.000 1.047 206 V CA 1.268 63.575 62.300 0.012 0.000 1.035 206 V CB -0.003 31.784 31.823 -0.060 0.000 0.658 206 V HN 0.177 nan 8.190 nan 0.000 0.452 207 V N -0.144 119.605 119.914 -0.276 0.000 2.307 207 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 207 V C 2.593 178.451 176.094 -0.393 0.000 1.045 207 V CA 1.989 64.020 62.300 -0.450 0.000 1.024 207 V CB -0.741 30.503 31.823 -0.966 0.000 0.651 207 V HN 0.455 nan 8.190 nan 0.000 0.449 208 R N -0.339 119.933 120.500 -0.380 0.000 2.081 208 R HA -0.199 4.141 4.340 -0.000 0.000 0.235 208 R C 2.498 178.745 176.300 -0.087 0.000 1.131 208 R CA 1.672 57.657 56.100 -0.192 0.000 0.960 208 R CB -0.416 29.836 30.300 -0.079 0.000 0.856 208 R HN 0.295 nan 8.270 nan 0.000 0.436 209 R N 1.541 122.013 120.500 -0.047 0.000 2.082 209 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 209 R C 1.578 177.800 176.300 -0.130 0.000 1.136 209 R CA 2.053 58.104 56.100 -0.081 0.000 0.935 209 R CB -0.811 29.448 30.300 -0.069 0.000 0.842 209 R HN 0.152 nan 8.270 nan 0.000 0.430 210 D N 0.362 120.713 120.400 -0.081 0.000 2.158 210 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 210 D C 1.582 177.855 176.300 -0.045 0.000 0.995 210 D CA 1.601 55.575 54.000 -0.044 0.000 0.846 210 D CB -0.077 40.726 40.800 0.006 0.000 0.941 210 D HN 0.539 nan 8.370 nan 0.000 0.456 211 E N 0.152 120.318 120.200 -0.057 0.000 2.299 211 E HA -0.067 4.283 4.350 -0.000 0.000 0.193 211 E C 1.847 178.443 176.600 -0.006 0.000 0.998 211 E CA 0.074 56.464 56.400 -0.017 0.000 0.851 211 E CB 0.129 29.827 29.700 -0.004 0.000 0.795 211 E HN 0.356 nan 8.360 nan 0.000 0.492 212 E N 0.961 121.142 120.200 -0.031 0.000 2.152 212 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 212 E C 1.948 178.544 176.600 -0.007 0.000 0.983 212 E CA 0.564 56.959 56.400 -0.009 0.000 0.818 212 E CB 0.140 29.823 29.700 -0.029 0.000 0.758 212 E HN 0.229 nan 8.360 nan 0.000 0.467 213 I N 0.880 121.394 120.570 -0.092 0.000 2.286 213 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 213 I C 2.151 178.270 176.117 0.004 0.000 1.104 213 I CA 0.978 62.199 61.300 -0.131 0.000 1.397 213 I CB -0.167 37.628 38.000 -0.343 0.000 1.072 213 I HN 0.089 nan 8.210 nan 0.000 0.417 214 E N 0.879 121.091 120.200 0.019 0.000 2.150 214 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 214 E C 1.249 177.886 176.600 0.062 0.000 0.985 214 E CA 0.805 57.235 56.400 0.051 0.000 0.814 214 E CB -0.112 29.616 29.700 0.048 0.000 0.752 214 E HN 0.477 nan 8.360 nan 0.000 0.466 215 N N 0.329 119.067 118.700 0.064 0.000 2.461 215 N HA -0.024 4.716 4.740 -0.000 0.000 0.188 215 N C -0.125 175.423 175.510 0.064 0.000 1.134 215 N CA 0.142 53.221 53.050 0.050 0.000 0.878 215 N CB -0.092 38.417 38.487 0.037 0.000 0.972 215 N HN 0.034 nan 8.380 nan 0.000 0.456 216 F N 2.181 122.106 119.950 -0.041 0.000 2.484 216 F HA 0.155 4.682 4.527 -0.000 0.000 0.360 216 F C 0.414 176.193 175.800 -0.035 0.000 1.101 216 F CA -0.941 57.031 58.000 -0.046 0.000 1.251 216 F CB 0.742 39.705 39.000 -0.063 0.000 1.132 216 F HN -0.197 nan 8.300 nan 0.000 0.570 217 V N 4.381 123.730 119.914 -0.942 0.000 2.313 217 V HA 0.762 4.882 4.120 -0.000 0.000 0.278 217 V C 0.105 175.662 176.094 -0.895 0.000 1.017 217 V CA -0.930 60.975 62.300 -0.658 0.000 0.823 217 V CB 0.164 31.758 31.823 -0.380 0.000 1.010 217 V HN 1.068 nan 8.190 nan 0.000 0.443 218 A N 4.657 127.253 122.820 -0.374 0.000 2.520 218 A HA 0.531 4.851 4.320 -0.000 0.000 0.245 218 A C 0.253 177.781 177.584 -0.094 0.000 1.072 218 A CA 0.097 52.099 52.037 -0.058 0.000 0.761 218 A CB 0.193 19.260 19.000 0.111 0.000 1.004 218 A HN 1.065 nan 8.150 nan 0.000 0.499 219 K N 2.825 123.203 120.400 -0.037 0.000 2.550 219 K HA 0.231 4.551 4.320 -0.000 0.000 0.252 219 K C -1.674 174.953 176.600 0.045 0.000 0.943 219 K CA -0.680 55.586 56.287 -0.034 0.000 0.806 219 K CB 1.335 33.771 32.500 -0.107 0.000 1.289 219 K HN 0.738 nan 8.250 nan 0.000 0.435 220 D N 5.087 125.481 120.400 -0.010 0.000 2.350 220 D HA 0.257 4.897 4.640 -0.000 0.000 0.249 220 D C -0.088 176.063 176.300 -0.249 0.000 1.119 220 D CA 0.358 54.279 54.000 -0.132 0.000 0.886 220 D CB 0.550 41.261 40.800 -0.149 0.000 1.195 220 D HN 0.406 nan 8.370 nan 0.000 0.437 221 F N -0.528 118.997 119.950 -0.709 0.000 2.692 221 F HA 0.762 5.289 4.527 -0.000 0.000 0.320 221 F C -1.652 173.543 175.800 -1.007 0.000 1.123 221 F CA -1.246 56.269 58.000 -0.808 0.000 0.961 221 F CB 1.277 40.099 39.000 -0.296 0.000 1.383 221 F HN 0.048 nan 8.300 nan 0.000 0.483 222 F N -0.011 119.971 119.950 0.053 0.000 2.601 222 F HA 0.663 5.190 4.527 -0.000 0.000 0.309 222 F C -0.665 175.177 175.800 0.070 0.000 1.089 222 F CA -0.820 57.171 58.000 -0.016 0.000 0.940 222 F CB 2.328 41.360 39.000 0.055 0.000 1.273 222 F HN 0.548 nan 8.300 nan 0.000 0.450 223 E N 0.128 120.471 120.200 0.238 0.000 2.392 223 E HA 0.695 5.045 4.350 -0.000 0.000 0.269 223 E C -1.657 175.095 176.600 0.254 0.000 0.924 223 E CA -1.044 55.490 56.400 0.224 0.000 0.784 223 E CB 3.075 32.854 29.700 0.132 0.000 1.292 223 E HN 0.318 nan 8.360 nan 0.000 0.447 224 V N 2.382 122.493 119.914 0.329 0.000 2.333 224 V HA 0.242 4.362 4.120 -0.000 0.000 0.274 224 V C -0.301 175.956 176.094 0.271 0.000 1.028 224 V CA -0.459 62.025 62.300 0.306 0.000 0.851 224 V CB 0.995 33.034 31.823 0.361 0.000 1.000 224 V HN 0.451 nan 8.190 nan 0.000 0.456 225 K N 3.952 124.448 120.400 0.160 0.000 2.234 225 K HA 0.712 5.032 4.320 -0.000 0.000 0.277 225 K C -0.248 176.344 176.600 -0.014 0.000 1.038 225 K CA -0.391 55.933 56.287 0.062 0.000 0.888 225 K CB 1.227 33.705 32.500 -0.036 0.000 1.091 225 K HN 0.752 nan 8.250 nan 0.000 0.467 226 A N 5.309 128.131 122.820 0.003 0.000 2.267 226 A HA 0.272 4.592 4.320 -0.000 0.000 0.315 226 A C -0.882 176.569 177.584 -0.222 0.000 1.297 226 A CA -0.736 51.247 52.037 -0.089 0.000 0.865 226 A CB 0.259 19.185 19.000 -0.123 0.000 1.165 226 A HN 0.791 nan 8.150 nan 0.000 0.513 227 H N 3.198 122.216 119.070 -0.086 0.000 3.015 227 H HA 0.225 4.781 4.556 -0.000 0.000 0.268 227 H C -0.435 174.751 175.328 -0.236 0.000 1.113 227 H CA 0.391 56.357 56.048 -0.137 0.000 1.479 227 H CB 0.422 30.131 29.762 -0.088 0.000 1.493 227 H HN 0.462 nan 8.280 nan 0.000 0.486 228 I N 2.820 123.189 120.570 -0.336 0.000 2.783 228 I HA 0.240 4.410 4.170 -0.000 0.000 0.312 228 I C 0.147 176.036 176.117 -0.380 0.000 0.988 228 I CA -0.519 60.503 61.300 -0.462 0.000 1.182 228 I CB 1.846 39.368 38.000 -0.796 0.000 1.368 228 I HN 0.279 nan 8.210 nan 0.000 0.511 229 V N 2.233 121.998 119.914 -0.248 0.000 3.048 229 V HA 0.641 4.761 4.120 -0.000 0.000 0.303 229 V C -0.609 175.451 176.094 -0.057 0.000 1.214 229 V CA -0.289 61.938 62.300 -0.122 0.000 0.984 229 V CB 2.485 34.263 31.823 -0.075 0.000 1.054 229 V HN 0.927 nan 8.190 nan 0.000 0.430 230 T N 3.107 117.664 114.554 0.005 0.000 2.952 230 T HA 0.596 4.946 4.350 -0.000 0.000 0.286 230 T C -1.730 172.977 174.700 0.011 0.000 1.024 230 T CA -1.482 60.636 62.100 0.030 0.000 1.029 230 T CB 1.656 70.568 68.868 0.074 0.000 1.094 230 T HN 0.535 nan 8.240 nan 0.000 0.515 231 P HA -0.117 nan 4.420 nan 0.000 0.217 231 P C 1.135 178.437 177.300 0.004 0.000 1.151 231 P CA 1.457 64.558 63.100 0.002 0.000 0.849 231 P CB -0.364 31.337 31.700 0.002 0.000 0.787 232 A N -0.889 121.938 122.820 0.011 0.000 2.327 232 A HA 0.046 4.366 4.320 -0.000 0.000 0.228 232 A C 0.371 177.963 177.584 0.014 0.000 1.275 232 A CA 0.212 52.255 52.037 0.011 0.000 0.875 232 A CB -0.930 18.076 19.000 0.011 0.000 0.925 232 A HN 0.088 nan 8.150 nan 0.000 0.493 233 D N -0.225 120.182 120.400 0.013 0.000 2.870 233 D HA -0.129 4.511 4.640 -0.000 0.000 0.228 233 D C -0.295 176.020 176.300 0.026 0.000 1.147 233 D CA 1.290 55.296 54.000 0.011 0.000 0.757 233 D CB -1.273 39.530 40.800 0.004 0.000 1.091 233 D HN 0.775 nan 8.370 nan 0.000 0.429 234 E N 0.049 120.278 120.200 0.048 0.000 2.231 234 E HA 0.532 4.882 4.350 -0.000 0.000 0.277 234 E C 0.437 177.102 176.600 0.108 0.000 0.999 234 E CA -0.369 56.081 56.400 0.084 0.000 0.827 234 E CB 1.662 31.426 29.700 0.108 0.000 1.101 234 E HN 0.054 nan 8.360 nan 0.000 0.393 235 R N 1.986 122.559 120.500 0.123 0.000 2.778 235 R HA 0.655 4.995 4.340 -0.000 0.000 0.277 235 R C -1.033 175.411 176.300 0.239 0.000 0.977 235 R CA -0.685 55.469 56.100 0.090 0.000 0.950 235 R CB 1.084 31.412 30.300 0.047 0.000 1.165 235 R HN 0.509 nan 8.270 nan 0.000 0.474 236 F N -2.699 117.288 119.950 0.062 0.000 2.807 236 F HA 0.394 4.921 4.527 -0.000 0.000 0.316 236 F C -1.365 174.470 175.800 0.057 0.000 1.162 236 F CA -0.966 57.072 58.000 0.064 0.000 0.910 236 F CB 1.465 40.502 39.000 0.062 0.000 1.314 236 F HN 0.212 nan 8.300 nan 0.000 0.454 237 T N 1.653 116.385 114.554 0.296 0.000 2.829 237 T HA 0.810 5.160 4.350 -0.000 0.000 0.282 237 T C -0.594 174.285 174.700 0.298 0.000 0.990 237 T CA -0.016 62.155 62.100 0.118 0.000 1.028 237 T CB 1.148 70.041 68.868 0.041 0.000 0.951 237 T HN 0.972 nan 8.240 nan 0.000 0.460 238 A N 3.717 126.652 122.820 0.193 0.000 2.413 238 A HA 0.829 5.149 4.320 -0.000 0.000 0.307 238 A C -1.098 176.677 177.584 0.318 0.000 1.087 238 A CA -0.668 51.558 52.037 0.314 0.000 0.750 238 A CB 0.997 20.222 19.000 0.374 0.000 1.296 238 A HN 0.672 nan 8.150 nan 0.000 0.423 239 I N 0.945 121.697 120.570 0.304 0.000 2.474 239 I HA 0.230 4.400 4.170 -0.000 0.000 0.294 239 I C -0.818 175.382 176.117 0.139 0.000 1.005 239 I CA -0.526 60.910 61.300 0.227 0.000 1.113 239 I CB 1.552 39.628 38.000 0.126 0.000 1.289 239 I HN 0.901 nan 8.210 nan 0.000 0.436 240 W N 7.014 128.179 121.300 -0.226 0.000 2.368 240 W HA 0.188 4.848 4.660 -0.000 0.000 0.316 240 W C -0.165 176.155 176.519 -0.331 0.000 1.375 240 W CA -0.287 56.647 57.345 -0.685 0.000 1.261 240 W CB 0.515 29.582 29.460 -0.655 0.000 1.298 240 W HN 0.361 nan 8.180 nan 0.000 0.539 241 Q N 8.092 127.573 119.800 -0.532 0.000 2.509 241 Q HA 0.263 4.602 4.340 -0.000 0.000 0.236 241 Q C -2.103 173.423 176.000 -0.791 0.000 1.073 241 Q CA -1.993 53.492 55.803 -0.530 0.000 0.867 241 Q CB 0.664 29.266 28.738 -0.227 0.000 1.181 241 Q HN 0.300 nan 8.270 nan 0.000 0.526 242 P HA -0.036 nan 4.420 nan 0.000 0.266 242 P C 0.267 177.358 177.300 -0.349 0.000 1.195 242 P CA 0.263 62.753 63.100 -1.016 0.000 0.768 242 P CB 0.723 31.789 31.700 -1.058 0.000 0.838 243 S N 1.637 117.279 115.700 -0.097 0.000 2.587 243 S HA -0.029 4.441 4.470 -0.000 0.000 0.260 243 S C 1.547 176.111 174.600 -0.059 0.000 1.353 243 S CA -0.367 57.815 58.200 -0.030 0.000 0.995 243 S CB 0.170 63.404 63.200 0.057 0.000 0.912 243 S HN 0.575 nan 8.310 nan 0.000 0.568 244 E N 1.672 121.843 120.200 -0.048 0.000 2.401 244 E HA -0.114 4.236 4.350 -0.000 0.000 0.199 244 E C 1.521 178.084 176.600 -0.061 0.000 1.023 244 E CA 1.182 57.546 56.400 -0.060 0.000 0.859 244 E CB -0.560 29.111 29.700 -0.049 0.000 0.780 244 E HN 0.599 nan 8.360 nan 0.000 0.523 245 A N 0.431 123.232 122.820 -0.032 0.000 2.239 245 A HA 0.016 4.336 4.320 -0.000 0.000 0.209 245 A C 1.983 179.536 177.584 -0.052 0.000 1.171 245 A CA 0.530 52.548 52.037 -0.032 0.000 0.768 245 A CB -0.531 18.482 19.000 0.021 0.000 0.790 245 A HN 0.415 nan 8.150 nan 0.000 0.478 246 C N -1.108 118.167 119.300 -0.041 0.000 2.926 246 C HA 0.151 4.611 4.460 -0.000 0.000 0.272 246 C C 2.139 177.054 174.990 -0.125 0.000 1.249 246 C CA -0.007 59.003 59.018 -0.014 0.000 1.691 246 C CB -0.881 26.884 27.740 0.042 0.000 1.983 246 C HN 0.706 nan 8.230 nan 0.000 0.615 247 E N 1.827 121.939 120.200 -0.148 0.000 2.147 247 E HA -0.216 4.134 4.350 -0.000 0.000 0.199 247 E C -0.650 175.831 176.600 -0.198 0.000 1.005 247 E CA 1.618 57.931 56.400 -0.145 0.000 0.810 247 E CB -0.761 28.867 29.700 -0.120 0.000 0.736 247 E HN 0.514 nan 8.360 nan 0.000 0.460 248 P HA -0.217 nan 4.420 nan 0.000 0.216 248 P C 0.645 177.739 177.300 -0.343 0.000 1.167 248 P CA 1.605 64.424 63.100 -0.469 0.000 0.914 248 P CB -0.192 30.936 31.700 -0.954 0.000 0.793 249 Y N -0.943 119.333 120.300 -0.041 0.000 2.490 249 Y HA 0.083 4.633 4.550 -0.000 0.000 0.281 249 Y C 1.394 177.306 175.900 0.020 0.000 1.174 249 Y CA -0.623 57.449 58.100 -0.047 0.000 1.295 249 Y CB -0.436 37.993 38.460 -0.053 0.000 1.062 249 Y HN 0.152 nan 8.280 nan 0.000 0.522 250 Q N 0.648 120.496 119.800 0.081 0.000 2.348 250 Q HA 0.271 4.611 4.340 -0.000 0.000 0.271 250 Q C -0.837 175.166 176.000 0.005 0.000 1.067 250 Q CA -1.146 54.691 55.803 0.057 0.000 0.839 250 Q CB 1.879 30.624 28.738 0.012 0.000 1.354 250 Q HN 0.140 nan 8.270 nan 0.000 0.447 251 D N 0.493 120.888 120.400 -0.009 0.000 2.393 251 D HA -0.114 4.526 4.640 -0.000 0.000 0.246 251 D C 0.742 177.003 176.300 -0.064 0.000 1.275 251 D CA 0.134 54.111 54.000 -0.039 0.000 0.979 251 D CB 0.633 41.395 40.800 -0.064 0.000 1.101 251 D HN 0.845 nan 8.370 nan 0.000 0.505 252 E N -0.543 119.617 120.200 -0.067 0.000 2.153 252 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 252 E C 1.604 178.158 176.600 -0.077 0.000 0.988 252 E CA 1.387 57.747 56.400 -0.066 0.000 0.811 252 E CB -0.508 29.157 29.700 -0.058 0.000 0.746 252 E HN 0.762 nan 8.360 nan 0.000 0.466 253 E N 1.082 121.222 120.200 -0.100 0.000 2.208 253 E HA -0.042 4.308 4.350 -0.000 0.000 0.193 253 E C 1.214 177.749 176.600 -0.109 0.000 0.988 253 E CA 0.757 57.092 56.400 -0.109 0.000 0.828 253 E CB 0.003 29.617 29.700 -0.143 0.000 0.763 253 E HN 0.341 nan 8.360 nan 0.000 0.478 254 G N 0.865 109.599 108.800 -0.110 0.000 2.155 254 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.135 254 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.135 254 G C -0.288 174.549 174.900 -0.106 0.000 1.023 254 G CA -0.211 44.829 45.100 -0.100 0.000 0.688 254 G HN 0.149 nan 8.290 nan 0.000 0.499 255 R N -0.686 119.744 120.500 -0.117 0.000 2.686 255 R HA 0.619 4.959 4.340 -0.000 0.000 0.286 255 R C -0.316 175.985 176.300 0.002 0.000 0.969 255 R CA -1.060 54.989 56.100 -0.084 0.000 0.898 255 R CB 1.947 32.129 30.300 -0.197 0.000 1.183 255 R HN 0.164 nan 8.270 nan 0.000 0.456 256 L N 3.110 124.391 121.223 0.097 0.000 2.462 256 L HA 0.043 4.383 4.340 -0.000 0.000 0.272 256 L C 0.060 177.099 176.870 0.282 0.000 1.166 256 L CA 0.685 55.631 54.840 0.177 0.000 0.880 256 L CB 0.602 42.769 42.059 0.180 0.000 1.142 256 L HN 0.724 nan 8.230 nan 0.000 0.473 257 L N 3.406 124.806 121.223 0.295 0.000 2.547 257 L HA 0.260 4.600 4.340 -0.000 0.000 0.218 257 L C 0.173 177.313 176.870 0.449 0.000 1.048 257 L CA 0.127 55.153 54.840 0.311 0.000 0.859 257 L CB -0.088 42.100 42.059 0.215 0.000 1.128 257 L HN 0.658 nan 8.230 nan 0.000 0.483 258 H N -0.309 118.936 119.070 0.292 0.000 2.944 258 H HA 0.165 4.721 4.556 -0.000 0.000 0.278 258 H C 1.081 176.512 175.328 0.172 0.000 1.083 258 H CA 0.431 56.608 56.048 0.214 0.000 1.479 258 H CB 0.729 30.557 29.762 0.111 0.000 1.486 258 H HN -0.008 nan 8.280 nan 0.000 0.493 259 R N 5.097 125.601 120.500 0.007 0.000 2.075 259 R HA -0.067 4.273 4.340 -0.000 0.000 0.232 259 R C -0.839 175.364 176.300 -0.162 0.000 1.126 259 R CA 0.847 56.729 56.100 -0.363 0.000 0.963 259 R CB -0.694 29.142 30.300 -0.772 0.000 0.858 259 R HN 0.552 nan 8.270 nan 0.000 0.435 260 P HA -0.192 nan 4.420 nan 0.000 0.216 260 P C 1.345 178.667 177.300 0.037 0.000 1.150 260 P CA 0.983 64.079 63.100 -0.007 0.000 0.843 260 P CB -0.115 31.608 31.700 0.038 0.000 0.787 261 L N -0.561 120.707 121.223 0.076 0.000 2.275 261 L HA 0.020 4.360 4.340 -0.000 0.000 0.215 261 L C 2.344 179.297 176.870 0.138 0.000 1.119 261 L CA 1.438 56.340 54.840 0.104 0.000 0.790 261 L CB -1.361 40.782 42.059 0.139 0.000 0.919 261 L HN -0.106 nan 8.230 nan 0.000 0.443 262 A N -1.073 121.816 122.820 0.116 0.000 1.872 262 A HA -0.091 4.229 4.320 -0.000 0.000 0.214 262 A C 2.145 179.729 177.584 -0.000 0.000 1.187 262 A CA 1.185 53.280 52.037 0.096 0.000 0.614 262 A CB -0.433 18.605 19.000 0.063 0.000 0.826 262 A HN 0.410 nan 8.150 nan 0.000 0.442 263 E N -0.076 120.100 120.200 -0.039 0.000 2.051 263 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 263 E C 0.819 177.372 176.600 -0.079 0.000 0.991 263 E CA 0.937 57.291 56.400 -0.075 0.000 0.799 263 E CB -0.429 29.210 29.700 -0.101 0.000 0.748 263 E HN 0.624 nan 8.360 nan 0.000 0.449 264 H N 0.191 119.223 119.070 -0.065 0.000 2.813 264 H HA 0.186 4.742 4.556 -0.000 0.000 0.312 264 H C 0.694 175.962 175.328 -0.100 0.000 1.228 264 H CA -0.014 55.993 56.048 -0.068 0.000 1.154 264 H CB -0.138 29.592 29.762 -0.053 0.000 1.418 264 H HN -0.089 nan 8.280 nan 0.000 0.525 265 V N -1.195 118.699 119.914 -0.033 0.000 3.161 265 V HA -0.086 4.034 4.120 -0.000 0.000 0.228 265 V C 2.116 178.128 176.094 -0.137 0.000 1.415 265 V CA 0.296 62.491 62.300 -0.174 0.000 1.285 265 V CB 0.384 31.922 31.823 -0.476 0.000 1.100 265 V HN 0.180 nan 8.190 nan 0.000 0.478 266 V N 1.574 121.432 119.914 -0.094 0.000 2.324 266 V HA -0.275 3.845 4.120 -0.000 0.000 0.250 266 V C 2.319 178.368 176.094 -0.074 0.000 1.060 266 V CA 2.656 64.919 62.300 -0.061 0.000 1.042 266 V CB -0.730 31.067 31.823 -0.043 0.000 0.650 266 V HN 0.564 nan 8.190 nan 0.000 0.450 267 N N -0.032 118.611 118.700 -0.096 0.000 2.188 267 N HA -0.116 4.624 4.740 -0.000 0.000 0.184 267 N C 1.914 177.391 175.510 -0.054 0.000 1.018 267 N CA 1.072 54.059 53.050 -0.105 0.000 0.858 267 N CB -0.408 37.947 38.487 -0.221 0.000 0.989 267 N HN 0.376 nan 8.380 nan 0.000 0.426 268 R N 0.583 121.070 120.500 -0.023 0.000 2.339 268 R HA 0.075 4.415 4.340 -0.000 0.000 0.199 268 R C 1.363 177.631 176.300 -0.054 0.000 1.018 268 R CA 0.458 56.550 56.100 -0.014 0.000 1.036 268 R CB -0.035 30.267 30.300 0.003 0.000 0.899 268 R HN 0.423 nan 8.270 nan 0.000 0.473 269 I N -5.026 115.496 120.570 -0.080 0.000 4.456 269 I HA 0.257 4.426 4.170 -0.000 0.000 0.329 269 I C 0.091 176.139 176.117 -0.116 0.000 1.313 269 I CA -0.369 60.858 61.300 -0.121 0.000 1.205 269 I CB 0.730 38.615 38.000 -0.190 0.000 1.179 269 I HN -0.261 nan 8.210 nan 0.000 0.419 270 S N 2.317 117.966 115.700 -0.085 0.000 2.525 270 S HA 0.371 4.841 4.470 -0.000 0.000 0.285 270 S C 1.313 175.871 174.600 -0.069 0.000 1.283 270 S CA 0.836 58.992 58.200 -0.073 0.000 1.072 270 S CB 0.491 63.656 63.200 -0.060 0.000 0.867 270 S HN 0.858 nan 8.310 nan 0.000 0.492 271 G N 2.721 111.479 108.800 -0.071 0.000 2.189 271 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.267 271 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.267 271 G C 0.011 174.871 174.900 -0.066 0.000 0.975 271 G CA -0.057 45.005 45.100 -0.063 0.000 0.644 271 G HN 0.607 nan 8.290 nan 0.000 0.537 272 Q N 0.790 120.542 119.800 -0.081 0.000 2.306 272 Q HA 0.426 4.766 4.340 -0.000 0.000 0.241 272 Q C -2.065 173.884 176.000 -0.085 0.000 0.948 272 Q CA -1.835 53.921 55.803 -0.078 0.000 0.886 272 Q CB 1.019 29.705 28.738 -0.087 0.000 1.227 272 Q HN 0.322 nan 8.270 nan 0.000 0.457 273 P HA 0.133 nan 4.420 nan 0.000 0.269 273 P C -1.302 175.958 177.300 -0.067 0.000 1.215 273 P CA -0.141 62.926 63.100 -0.055 0.000 0.780 273 P CB 0.590 32.272 31.700 -0.031 0.000 0.898 274 A N 4.004 126.790 122.820 -0.057 0.000 2.466 274 A HA 0.488 4.808 4.320 -0.000 0.000 0.291 274 A C -0.001 177.586 177.584 0.006 0.000 1.234 274 A CA -0.656 51.350 52.037 -0.052 0.000 0.752 274 A CB 0.162 19.104 19.000 -0.097 0.000 1.153 274 A HN 0.302 nan 8.150 nan 0.000 0.458 275 I N 1.646 122.231 120.570 0.026 0.000 2.764 275 I HA 0.256 4.426 4.170 -0.000 0.000 0.294 275 I C 0.240 176.404 176.117 0.078 0.000 1.045 275 I CA -0.461 60.867 61.300 0.047 0.000 1.340 275 I CB 1.404 39.430 38.000 0.043 0.000 1.436 275 I HN 0.247 nan 8.210 nan 0.000 0.567 276 V N 4.636 124.599 119.914 0.081 0.000 2.350 276 V HA 0.175 4.295 4.120 -0.000 0.000 0.276 276 V C 1.078 177.230 176.094 0.097 0.000 1.028 276 V CA -0.200 62.163 62.300 0.106 0.000 0.860 276 V CB 1.040 32.927 31.823 0.107 0.000 0.990 276 V HN 0.932 nan 8.190 nan 0.000 0.453 277 T N 2.479 117.097 114.554 0.108 0.000 2.735 277 T HA 0.007 4.357 4.350 -0.000 0.000 0.256 277 T C 0.728 175.482 174.700 0.091 0.000 1.042 277 T CA 1.150 63.306 62.100 0.093 0.000 1.147 277 T CB 0.046 68.971 68.868 0.096 0.000 0.865 277 T HN 0.756 nan 8.240 nan 0.000 0.421 278 S N -0.235 115.528 115.700 0.106 0.000 2.564 278 S HA 0.636 5.106 4.470 -0.000 0.000 0.274 278 S C -1.762 172.936 174.600 0.164 0.000 1.124 278 S CA -1.092 57.174 58.200 0.109 0.000 0.869 278 S CB 1.981 65.221 63.200 0.067 0.000 1.105 278 S HN 0.359 nan 8.310 nan 0.000 0.472 279 Y N 1.635 121.950 120.300 0.025 0.000 2.361 279 Y HA 0.707 5.257 4.550 -0.000 0.000 0.337 279 Y C -1.442 174.464 175.900 0.009 0.000 0.965 279 Y CA -0.565 57.544 58.100 0.015 0.000 1.091 279 Y CB 1.653 40.121 38.460 0.014 0.000 1.182 279 Y HN 0.878 nan 8.280 nan 0.000 0.450 280 N N 3.926 122.285 118.700 -0.569 0.000 2.258 280 N HA 0.248 4.988 4.740 -0.000 0.000 0.299 280 N C -2.001 173.149 175.510 -0.599 0.000 1.047 280 N CA -0.657 52.129 53.050 -0.440 0.000 0.814 280 N CB 1.660 40.020 38.487 -0.211 0.000 1.413 280 N HN 0.656 nan 8.380 nan 0.000 0.478 281 D N 1.624 121.811 120.400 -0.355 0.000 2.412 281 D HA 0.120 4.760 4.640 -0.000 0.000 0.276 281 D C -0.914 175.313 176.300 -0.121 0.000 1.196 281 D CA -0.336 53.529 54.000 -0.225 0.000 0.905 281 D CB 0.474 41.214 40.800 -0.101 0.000 1.081 281 D HN 0.271 nan 8.370 nan 0.000 0.502 282 K N 1.904 122.231 120.400 -0.121 0.000 2.349 282 K HA 0.140 4.460 4.320 -0.000 0.000 0.288 282 K C 0.388 176.942 176.600 -0.076 0.000 1.058 282 K CA -0.422 55.815 56.287 -0.083 0.000 0.953 282 K CB 0.925 33.379 32.500 -0.077 0.000 0.997 282 K HN 0.164 nan 8.250 nan 0.000 0.477 283 R N 4.581 125.048 120.500 -0.056 0.000 2.248 283 R HA 0.027 4.367 4.340 -0.000 0.000 0.337 283 R C -0.772 175.514 176.300 -0.023 0.000 1.106 283 R CA -0.151 55.919 56.100 -0.051 0.000 0.959 283 R CB 0.261 30.537 30.300 -0.040 0.000 1.075 283 R HN 0.712 nan 8.270 nan 0.000 0.480 284 E N 2.327 122.525 120.200 -0.003 0.000 2.199 284 E HA 0.343 4.693 4.350 -0.000 0.000 0.269 284 E C -1.323 175.333 176.600 0.093 0.000 0.899 284 E CA -0.986 55.432 56.400 0.030 0.000 0.772 284 E CB 1.799 31.506 29.700 0.011 0.000 1.155 284 E HN 0.454 nan 8.360 nan 0.000 0.408 285 S N 1.848 117.599 115.700 0.086 0.000 2.482 285 S HA 0.364 4.834 4.470 -0.000 0.000 0.303 285 S C -0.529 174.163 174.600 0.153 0.000 1.091 285 S CA -0.970 57.299 58.200 0.115 0.000 1.057 285 S CB 1.688 64.928 63.200 0.068 0.000 1.031 285 S HN 0.681 nan 8.310 nan 0.000 0.485 286 E N 2.435 122.778 120.200 0.239 0.000 2.155 286 E HA 0.390 4.740 4.350 -0.000 0.000 0.264 286 E C -0.675 176.147 176.600 0.370 0.000 0.886 286 E CA -0.500 56.077 56.400 0.295 0.000 0.752 286 E CB 1.222 31.173 29.700 0.418 0.000 1.133 286 E HN 0.641 nan 8.360 nan 0.000 0.414 287 S N 2.057 117.859 115.700 0.171 0.000 2.569 287 S HA 0.201 4.671 4.470 -0.000 0.000 0.274 287 S C 0.143 174.587 174.600 -0.260 0.000 1.353 287 S CA -0.064 58.148 58.200 0.020 0.000 1.023 287 S CB 0.925 64.078 63.200 -0.079 0.000 0.876 287 S HN 0.667 nan 8.310 nan 0.000 0.540 288 A N 3.931 126.342 122.820 -0.682 0.000 2.483 288 A HA 0.396 4.716 4.320 -0.000 0.000 0.238 288 A C -1.951 175.077 177.584 -0.926 0.000 1.070 288 A CA -1.068 50.078 52.037 -1.485 0.000 0.770 288 A CB -0.536 17.898 19.000 -0.944 0.000 1.008 288 A HN 0.560 nan 8.150 nan 0.000 0.497 289 P HA 0.186 nan 4.420 nan 0.000 0.272 289 P C -0.334 176.639 177.300 -0.546 0.000 1.223 289 P CA -0.098 62.647 63.100 -0.592 0.000 0.784 289 P CB 0.447 31.846 31.700 -0.502 0.000 0.923 290 L N 3.281 124.226 121.223 -0.464 0.000 2.467 290 L HA 0.167 4.507 4.340 -0.000 0.000 0.270 290 L C -1.511 175.048 176.870 -0.518 0.000 1.205 290 L CA -1.647 52.888 54.840 -0.510 0.000 0.828 290 L CB -0.349 41.386 42.059 -0.541 0.000 1.101 290 L HN 0.311 nan 8.230 nan 0.000 0.479 291 P HA -0.053 nan 4.420 nan 0.000 0.269 291 P C -0.742 176.372 177.300 -0.309 0.000 1.217 291 P CA 0.112 62.945 63.100 -0.445 0.000 0.783 291 P CB 0.293 31.803 31.700 -0.317 0.000 0.898 292 F N 0.408 120.300 119.950 -0.096 0.000 2.484 292 F HA 0.055 4.582 4.527 -0.000 0.000 0.360 292 F C 1.835 177.599 175.800 -0.060 0.000 1.101 292 F CA -0.161 57.793 58.000 -0.076 0.000 1.251 292 F CB 0.463 39.434 39.000 -0.048 0.000 1.132 292 F HN 0.285 nan 8.300 nan 0.000 0.570 293 S N 3.589 119.395 115.700 0.177 0.000 2.645 293 S HA 0.155 4.625 4.470 -0.000 0.000 0.266 293 S C 0.844 175.467 174.600 0.039 0.000 1.258 293 S CA -0.942 57.310 58.200 0.087 0.000 0.990 293 S CB 1.216 64.452 63.200 0.059 0.000 0.967 293 S HN 0.697 nan 8.310 nan 0.000 0.556 294 L N 1.514 122.718 121.223 -0.032 0.000 2.012 294 L HA -0.061 4.279 4.340 -0.000 0.000 0.210 294 L C 2.411 179.223 176.870 -0.097 0.000 1.073 294 L CA 2.202 56.987 54.840 -0.091 0.000 0.748 294 L CB -1.355 40.630 42.059 -0.124 0.000 0.891 294 L HN 0.820 nan 8.230 nan 0.000 0.431 295 S N -0.161 115.505 115.700 -0.058 0.000 2.368 295 S HA -0.094 4.376 4.470 -0.000 0.000 0.224 295 S C 2.096 176.660 174.600 -0.059 0.000 1.029 295 S CA 1.022 59.191 58.200 -0.051 0.000 0.988 295 S CB -0.633 62.555 63.200 -0.021 0.000 0.838 295 S HN 0.692 nan 8.310 nan 0.000 0.462 296 A N 1.323 124.131 122.820 -0.020 0.000 1.933 296 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 296 A C 2.110 179.540 177.584 -0.257 0.000 1.175 296 A CA 1.343 53.391 52.037 0.018 0.000 0.628 296 A CB -0.657 18.484 19.000 0.235 0.000 0.814 296 A HN 0.418 nan 8.150 nan 0.000 0.444 297 L N -0.204 120.714 121.223 -0.508 0.000 2.005 297 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 297 L C 2.481 179.086 176.870 -0.441 0.000 1.072 297 L CA 2.403 56.694 54.840 -0.915 0.000 0.744 297 L CB -0.876 40.782 42.059 -0.668 0.000 0.895 297 L HN 0.505 nan 8.230 nan 0.000 0.433 298 Q N -0.489 119.165 119.800 -0.243 0.000 2.112 298 Q HA -0.246 4.094 4.340 -0.000 0.000 0.206 298 Q C 2.263 178.200 176.000 -0.105 0.000 0.987 298 Q CA 2.371 58.092 55.803 -0.136 0.000 0.858 298 Q CB -0.336 28.346 28.738 -0.092 0.000 0.905 298 Q HN 0.589 nan 8.270 nan 0.000 0.420 299 I N 0.279 120.789 120.570 -0.101 0.000 2.142 299 I HA -0.280 3.890 4.170 -0.000 0.000 0.240 299 I C 2.449 178.531 176.117 -0.058 0.000 1.078 299 I CA 1.258 62.526 61.300 -0.053 0.000 1.343 299 I CB -0.185 37.804 38.000 -0.019 0.000 1.046 299 I HN 0.185 nan 8.210 nan 0.000 0.405 300 E N 1.283 121.424 120.200 -0.099 0.000 2.110 300 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 300 E C 2.061 178.608 176.600 -0.088 0.000 0.988 300 E CA 1.672 58.031 56.400 -0.068 0.000 0.804 300 E CB -0.205 29.479 29.700 -0.027 0.000 0.745 300 E HN 0.428 nan 8.360 nan 0.000 0.458 301 A N 0.638 123.405 122.820 -0.088 0.000 1.933 301 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 301 A C 2.421 180.029 177.584 0.040 0.000 1.175 301 A CA 1.969 54.026 52.037 0.032 0.000 0.628 301 A CB -0.927 18.105 19.000 0.054 0.000 0.814 301 A HN 0.377 nan 8.150 nan 0.000 0.444 302 A N -0.127 122.691 122.820 -0.003 0.000 1.902 302 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 302 A C 2.119 179.692 177.584 -0.017 0.000 1.181 302 A CA 1.816 53.855 52.037 0.003 0.000 0.623 302 A CB -0.402 18.594 19.000 -0.006 0.000 0.818 302 A HN 0.545 nan 8.150 nan 0.000 0.443 303 K N -0.867 119.507 120.400 -0.044 0.000 2.026 303 K HA -0.072 4.248 4.320 -0.000 0.000 0.208 303 K C 2.323 178.852 176.600 -0.118 0.000 1.048 303 K CA 1.471 57.723 56.287 -0.058 0.000 0.929 303 K CB -0.160 32.312 32.500 -0.046 0.000 0.713 303 K HN 0.310 nan 8.250 nan 0.000 0.439 304 R N -0.921 119.434 120.500 -0.242 0.000 2.161 304 R HA 0.060 4.400 4.340 -0.000 0.000 0.213 304 R C 1.371 177.329 176.300 -0.570 0.000 1.055 304 R CA 0.943 56.742 56.100 -0.502 0.000 0.996 304 R CB 0.291 30.106 30.300 -0.809 0.000 0.901 304 R HN 0.210 nan 8.270 nan 0.000 0.456 305 F N -2.196 117.759 119.950 0.008 0.000 2.834 305 F HA 0.266 4.793 4.527 -0.000 0.000 0.332 305 F C 1.249 177.048 175.800 -0.002 0.000 1.056 305 F CA 0.148 58.151 58.000 0.005 0.000 1.178 305 F CB 1.264 40.267 39.000 0.005 0.000 1.037 305 F HN 0.089 nan 8.300 nan 0.000 0.580 306 G N 2.079 110.959 108.800 0.133 0.000 2.143 306 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.248 306 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.248 306 G C -0.019 174.920 174.900 0.066 0.000 0.991 306 G CA -0.242 44.901 45.100 0.073 0.000 0.689 306 G HN 0.221 nan 8.290 nan 0.000 0.522 307 L N 1.907 123.186 121.223 0.092 0.000 2.367 307 L HA 0.469 4.809 4.340 -0.000 0.000 0.275 307 L C 1.499 178.380 176.870 0.019 0.000 1.129 307 L CA 0.039 54.910 54.840 0.051 0.000 0.839 307 L CB 1.165 43.262 42.059 0.063 0.000 1.133 307 L HN 0.450 nan 8.230 nan 0.000 0.453 308 S N 2.311 118.011 115.700 -0.001 0.000 2.600 308 S HA 0.290 4.760 4.470 -0.000 0.000 0.265 308 S C 1.157 175.744 174.600 -0.021 0.000 1.325 308 S CA -0.152 58.038 58.200 -0.016 0.000 1.002 308 S CB 1.534 64.717 63.200 -0.028 0.000 0.921 308 S HN 0.695 nan 8.310 nan 0.000 0.554 309 A N 1.149 123.953 122.820 -0.027 0.000 1.877 309 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 309 A C 2.271 179.834 177.584 -0.035 0.000 1.186 309 A CA 1.966 53.983 52.037 -0.034 0.000 0.620 309 A CB -1.415 17.565 19.000 -0.033 0.000 0.822 309 A HN 0.912 nan 8.150 nan 0.000 0.443 310 Q N 0.498 120.278 119.800 -0.032 0.000 2.061 310 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 310 Q C 1.926 177.909 176.000 -0.029 0.000 0.984 310 Q CA 2.358 58.142 55.803 -0.031 0.000 0.846 310 Q CB -0.555 28.166 28.738 -0.029 0.000 0.902 310 Q HN 0.647 nan 8.270 nan 0.000 0.421 311 N N -0.717 117.967 118.700 -0.026 0.000 2.104 311 N HA -0.126 4.614 4.740 -0.000 0.000 0.190 311 N C 1.572 177.069 175.510 -0.022 0.000 1.024 311 N CA 1.485 54.522 53.050 -0.022 0.000 0.853 311 N CB -0.335 38.141 38.487 -0.019 0.000 1.008 311 N HN 0.200 nan 8.380 nan 0.000 0.424 312 V N 0.734 120.632 119.914 -0.025 0.000 2.343 312 V HA -0.188 3.932 4.120 -0.000 0.000 0.247 312 V C 2.361 178.432 176.094 -0.038 0.000 1.051 312 V CA 1.351 63.633 62.300 -0.031 0.000 1.036 312 V CB -0.561 31.235 31.823 -0.044 0.000 0.654 312 V HN 0.311 nan 8.190 nan 0.000 0.451 313 L N 0.214 121.410 121.223 -0.045 0.000 2.056 313 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 313 L C 2.074 178.922 176.870 -0.037 0.000 1.078 313 L CA 2.007 56.815 54.840 -0.053 0.000 0.749 313 L CB -0.918 41.106 42.059 -0.059 0.000 0.901 313 L HN 0.283 nan 8.230 nan 0.000 0.433 314 D N 0.004 120.388 120.400 -0.027 0.000 2.127 314 D HA -0.263 4.377 4.640 -0.000 0.000 0.190 314 D C 2.262 178.558 176.300 -0.007 0.000 1.000 314 D CA 2.300 56.290 54.000 -0.017 0.000 0.839 314 D CB -0.328 40.462 40.800 -0.017 0.000 0.955 314 D HN 0.433 nan 8.370 nan 0.000 0.446 315 I N 0.356 120.924 120.570 -0.003 0.000 2.163 315 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 315 I C 2.602 178.740 176.117 0.035 0.000 1.085 315 I CA 0.842 62.152 61.300 0.016 0.000 1.347 315 I CB -0.258 37.748 38.000 0.010 0.000 1.044 315 I HN 0.096 nan 8.210 nan 0.000 0.408 316 C N 0.153 119.462 119.300 0.015 0.000 2.413 316 C HA -0.156 4.304 4.460 -0.000 0.000 0.277 316 C C 2.889 177.908 174.990 0.048 0.000 1.265 316 C CA 0.694 59.725 59.018 0.022 0.000 1.752 316 C CB -0.999 26.720 27.740 -0.034 0.000 1.998 316 C HN 0.524 nan 8.230 nan 0.000 0.489 317 Q N 0.774 120.589 119.800 0.024 0.000 2.079 317 Q HA -0.174 4.166 4.340 -0.000 0.000 0.200 317 Q C 2.133 178.167 176.000 0.056 0.000 0.974 317 Q CA 1.413 57.249 55.803 0.056 0.000 0.840 317 Q CB -0.434 28.315 28.738 0.018 0.000 0.898 317 Q HN 0.646 nan 8.270 nan 0.000 0.430 318 K N 0.888 121.296 120.400 0.013 0.000 2.057 318 K HA -0.073 4.247 4.320 -0.000 0.000 0.207 318 K C 2.122 178.706 176.600 -0.027 0.000 1.049 318 K CA 0.771 57.028 56.287 -0.050 0.000 0.931 318 K CB -0.244 32.239 32.500 -0.029 0.000 0.714 318 K HN 0.084 nan 8.250 nan 0.000 0.440 319 L N -0.359 120.932 121.223 0.114 0.000 2.131 319 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 319 L C 2.174 179.140 176.870 0.159 0.000 1.092 319 L CA 1.106 56.054 54.840 0.180 0.000 0.759 319 L CB -0.394 41.779 42.059 0.191 0.000 0.903 319 L HN 0.287 nan 8.230 nan 0.000 0.435 320 Y N 0.638 120.947 120.300 0.015 0.000 2.201 320 Y HA -0.123 4.427 4.550 -0.000 0.000 0.292 320 Y C 2.388 178.283 175.900 -0.009 0.000 1.119 320 Y CA 1.471 59.582 58.100 0.018 0.000 1.127 320 Y CB 0.047 38.518 38.460 0.017 0.000 1.019 320 Y HN 0.108 nan 8.280 nan 0.000 0.514 321 E N -1.244 118.872 120.200 -0.139 0.000 2.140 321 E HA -0.033 4.317 4.350 -0.000 0.000 0.191 321 E C 1.815 178.270 176.600 -0.242 0.000 0.973 321 E CA 1.420 57.663 56.400 -0.261 0.000 0.829 321 E CB 0.116 29.744 29.700 -0.119 0.000 0.781 321 E HN 0.388 nan 8.360 nan 0.000 0.466 322 T N -0.026 114.373 114.554 -0.258 0.000 2.904 322 T HA -0.006 4.344 4.350 -0.000 0.000 0.243 322 T C 1.515 176.020 174.700 -0.325 0.000 1.024 322 T CA 0.623 62.512 62.100 -0.353 0.000 1.158 322 T CB -0.178 68.367 68.868 -0.538 0.000 0.867 322 T HN 0.170 nan 8.240 nan 0.000 0.429 323 H N 1.610 120.629 119.070 -0.086 0.000 2.512 323 H HA 0.244 4.800 4.556 -0.000 0.000 0.279 323 H C 0.589 175.848 175.328 -0.114 0.000 0.999 323 H CA 0.469 56.456 56.048 -0.102 0.000 1.283 323 H CB -0.055 29.637 29.762 -0.117 0.000 1.421 323 H HN 0.417 nan 8.280 nan 0.000 0.554 324 K N 0.317 120.702 120.400 -0.025 0.000 3.071 324 K HA -0.175 4.145 4.320 -0.000 0.000 0.265 324 K C 0.638 177.241 176.600 0.004 0.000 1.060 324 K CA 0.236 56.494 56.287 -0.048 0.000 0.767 324 K CB -1.664 30.789 32.500 -0.079 0.000 1.241 324 K HN 0.266 nan 8.250 nan 0.000 0.486 325 L N -0.061 121.178 121.223 0.028 0.000 2.513 325 L HA 0.242 4.581 4.340 -0.000 0.000 0.222 325 L C 1.206 178.208 176.870 0.219 0.000 1.096 325 L CA 0.192 55.038 54.840 0.010 0.000 0.857 325 L CB 0.049 41.979 42.059 -0.216 0.000 1.026 325 L HN 0.346 nan 8.230 nan 0.000 0.469 326 I N -4.461 116.252 120.570 0.238 0.000 3.042 326 I HA 0.525 4.695 4.170 -0.000 0.000 0.310 326 I C 0.258 176.577 176.117 0.337 0.000 1.117 326 I CA -0.761 60.691 61.300 0.253 0.000 1.003 326 I CB 1.938 40.066 38.000 0.213 0.000 1.228 326 I HN -0.164 nan 8.210 nan 0.000 0.443 327 T N -0.098 114.623 114.554 0.278 0.000 2.770 327 T HA 0.240 4.590 4.350 -0.000 0.000 0.281 327 T C -0.115 174.595 174.700 0.018 0.000 0.981 327 T CA -0.231 62.051 62.100 0.303 0.000 0.955 327 T CB 0.446 69.521 68.868 0.345 0.000 1.060 327 T HN 0.625 nan 8.240 nan 0.000 0.531 328 Y N 3.286 123.372 120.300 -0.356 0.000 2.846 328 Y HA 0.166 4.716 4.550 -0.000 0.000 0.352 328 Y C -1.554 174.039 175.900 -0.512 0.000 1.298 328 Y CA -1.739 55.841 58.100 -0.866 0.000 1.634 328 Y CB 0.521 38.677 38.460 -0.508 0.000 1.214 328 Y HN 0.433 nan 8.280 nan 0.000 0.529 329 P HA 0.065 nan 4.420 nan 0.000 0.257 329 P C 0.038 176.979 177.300 -0.599 0.000 1.281 329 P CA 0.596 63.379 63.100 -0.529 0.000 0.826 329 P CB 0.279 31.783 31.700 -0.327 0.000 1.237 330 R N -0.549 119.315 120.500 -1.060 0.000 2.334 330 R HA 0.172 4.512 4.340 -0.000 0.000 0.216 330 R C 1.028 177.024 176.300 -0.508 0.000 0.905 330 R CA -0.040 55.623 56.100 -0.729 0.000 1.064 330 R CB -0.038 29.835 30.300 -0.712 0.000 1.046 330 R HN 0.053 nan 8.270 nan 0.000 0.508 331 S N 1.914 117.343 115.700 -0.452 0.000 2.549 331 S HA -0.040 4.430 4.470 -0.000 0.000 0.283 331 S C 0.773 175.365 174.600 -0.013 0.000 1.320 331 S CA -0.502 57.617 58.200 -0.135 0.000 1.058 331 S CB 0.638 63.876 63.200 0.062 0.000 0.882 331 S HN 0.360 nan 8.310 nan 0.000 0.498 332 D N 2.623 123.086 120.400 0.105 0.000 2.349 332 D HA 0.056 4.696 4.640 -0.000 0.000 0.214 332 D C 0.553 176.939 176.300 0.144 0.000 1.063 332 D CA -0.278 53.787 54.000 0.108 0.000 0.847 332 D CB -0.807 40.060 40.800 0.110 0.000 0.933 332 D HN 0.308 nan 8.370 nan 0.000 0.513 333 C N 1.026 120.445 119.300 0.198 0.000 2.401 333 C HA 0.464 4.924 4.460 -0.000 0.000 0.365 333 C C 1.163 176.215 174.990 0.103 0.000 1.250 333 C CA -0.621 58.490 59.018 0.155 0.000 2.131 333 C CB 0.136 27.953 27.740 0.128 0.000 2.445 333 C HN 0.232 nan 8.230 nan 0.000 0.550 334 R N 2.757 123.295 120.500 0.063 0.000 2.546 334 R HA 0.214 4.554 4.340 -0.000 0.000 0.320 334 R C -1.080 174.978 176.300 -0.403 0.000 1.021 334 R CA 0.057 56.066 56.100 -0.151 0.000 1.088 334 R CB 0.340 30.500 30.300 -0.232 0.000 1.278 334 R HN 0.696 nan 8.270 nan 0.000 0.557 335 Y N -0.074 120.164 120.300 -0.102 0.000 2.630 335 Y HA 0.540 5.090 4.550 -0.000 0.000 0.337 335 Y C 0.030 175.827 175.900 -0.172 0.000 1.051 335 Y CA -0.991 57.009 58.100 -0.167 0.000 1.121 335 Y CB 1.587 39.972 38.460 -0.125 0.000 1.299 335 Y HN -0.219 nan 8.280 nan 0.000 0.498 336 L N 2.183 123.351 121.223 -0.091 0.000 2.354 336 L HA 0.580 4.920 4.340 -0.000 0.000 0.264 336 L C -2.704 174.173 176.870 0.011 0.000 1.008 336 L CA -2.407 52.321 54.840 -0.188 0.000 0.819 336 L CB 2.175 43.956 42.059 -0.463 0.000 1.339 336 L HN 0.296 nan 8.230 nan 0.000 0.420 337 P HA 0.047 nan 4.420 nan 0.000 0.266 337 P C -0.137 177.382 177.300 0.364 0.000 1.195 337 P CA 0.012 63.206 63.100 0.157 0.000 0.768 337 P CB 0.557 32.356 31.700 0.165 0.000 0.838 338 E N 1.915 122.292 120.200 0.295 0.000 2.208 338 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 338 E C 1.515 178.261 176.600 0.244 0.000 0.988 338 E CA 0.873 57.439 56.400 0.278 0.000 0.828 338 E CB -0.059 29.718 29.700 0.129 0.000 0.763 338 E HN 0.674 nan 8.360 nan 0.000 0.478 339 E N 0.777 121.127 120.200 0.250 0.000 2.338 339 E HA -0.191 4.159 4.350 -0.000 0.000 0.197 339 E C 1.548 178.280 176.600 0.220 0.000 1.007 339 E CA 0.894 57.414 56.400 0.201 0.000 0.849 339 E CB -0.227 29.568 29.700 0.158 0.000 0.774 339 E HN 0.434 nan 8.360 nan 0.000 0.506 340 H N -1.007 118.203 119.070 0.232 0.000 2.546 340 H HA -0.052 4.504 4.556 -0.000 0.000 0.277 340 H C 1.315 176.768 175.328 0.209 0.000 1.004 340 H CA 0.835 57.052 56.048 0.281 0.000 1.231 340 H CB 0.015 30.021 29.762 0.407 0.000 1.382 340 H HN 0.272 nan 8.280 nan 0.000 0.580 341 F N 1.808 121.682 119.950 -0.126 0.000 2.171 341 F HA -0.167 4.360 4.527 -0.000 0.000 0.300 341 F C 2.515 178.141 175.800 -0.290 0.000 1.090 341 F CA 1.093 58.720 58.000 -0.622 0.000 1.293 341 F CB -0.236 38.291 39.000 -0.789 0.000 1.013 341 F HN 0.047 nan 8.300 nan 0.000 0.486 342 A N -0.311 122.422 122.820 -0.145 0.000 2.070 342 A HA 0.020 4.340 4.320 -0.000 0.000 0.220 342 A C 2.202 179.663 177.584 -0.206 0.000 1.159 342 A CA 1.350 53.280 52.037 -0.179 0.000 0.656 342 A CB -1.501 17.477 19.000 -0.037 0.000 0.800 342 A HN 0.450 nan 8.150 nan 0.000 0.453 343 G N -0.324 108.389 108.800 -0.144 0.000 3.371 343 G HA2 0.166 4.126 3.960 -0.000 0.000 0.248 343 G HA3 0.166 4.126 3.960 -0.000 0.000 0.248 343 G C 1.258 176.111 174.900 -0.079 0.000 1.161 343 G CA 0.337 45.388 45.100 -0.082 0.000 0.796 343 G HN 0.714 nan 8.290 nan 0.000 0.539 344 R N -0.508 119.839 120.500 -0.256 0.000 2.096 344 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 344 R C 1.670 177.812 176.300 -0.263 0.000 1.127 344 R CA 1.471 57.431 56.100 -0.235 0.000 0.968 344 R CB -0.708 29.233 30.300 -0.598 0.000 0.861 344 R HN 0.471 nan 8.270 nan 0.000 0.440 345 H N 1.221 120.210 119.070 -0.136 0.000 2.326 345 H HA 0.080 4.636 4.556 -0.000 0.000 0.301 345 H C 2.433 177.732 175.328 -0.049 0.000 1.081 345 H CA 1.336 57.320 56.048 -0.106 0.000 1.334 345 H CB -0.081 29.616 29.762 -0.109 0.000 1.385 345 H HN 0.425 nan 8.280 nan 0.000 0.504 346 A N 0.789 123.651 122.820 0.069 0.000 1.908 346 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 346 A C 2.556 180.165 177.584 0.041 0.000 1.181 346 A CA 1.850 53.914 52.037 0.046 0.000 0.627 346 A CB -0.917 18.102 19.000 0.031 0.000 0.818 346 A HN 0.242 nan 8.150 nan 0.000 0.445 347 V N -0.173 119.759 119.914 0.030 0.000 2.307 347 V HA -0.304 3.816 4.120 -0.000 0.000 0.245 347 V C 2.638 178.751 176.094 0.033 0.000 1.045 347 V CA 2.190 64.490 62.300 -0.001 0.000 1.024 347 V CB -0.685 31.075 31.823 -0.105 0.000 0.651 347 V HN 0.573 nan 8.190 nan 0.000 0.449 348 M N 0.021 119.660 119.600 0.065 0.000 2.159 348 M HA -0.175 4.305 4.480 -0.000 0.000 0.263 348 M C 2.270 178.608 176.300 0.063 0.000 1.063 348 M CA 1.675 57.022 55.300 0.079 0.000 1.110 348 M CB -0.758 31.864 32.600 0.037 0.000 1.374 348 M HN 0.490 nan 8.290 nan 0.000 0.411 349 N N 0.950 119.679 118.700 0.048 0.000 2.104 349 N HA -0.159 4.581 4.740 -0.000 0.000 0.190 349 N C 1.635 177.158 175.510 0.021 0.000 1.024 349 N CA 1.795 54.861 53.050 0.028 0.000 0.853 349 N CB 0.077 38.576 38.487 0.020 0.000 1.008 349 N HN 0.318 nan 8.380 nan 0.000 0.424 350 A N 1.388 124.245 122.820 0.061 0.000 1.902 350 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 350 A C 2.357 180.038 177.584 0.162 0.000 1.181 350 A CA 0.842 52.941 52.037 0.104 0.000 0.623 350 A CB -0.629 18.508 19.000 0.227 0.000 0.818 350 A HN 0.362 nan 8.150 nan 0.000 0.443 351 I N 0.773 121.466 120.570 0.206 0.000 2.151 351 I HA -0.299 3.871 4.170 -0.000 0.000 0.243 351 I C 2.840 179.055 176.117 0.163 0.000 1.080 351 I CA 1.809 63.268 61.300 0.265 0.000 1.339 351 I CB -0.234 37.880 38.000 0.190 0.000 1.039 351 I HN 0.521 nan 8.210 nan 0.000 0.409 352 S N -0.174 115.570 115.700 0.073 0.000 2.474 352 S HA -0.064 4.406 4.470 -0.000 0.000 0.235 352 S C 1.818 176.392 174.600 -0.042 0.000 0.997 352 S CA 0.821 59.037 58.200 0.028 0.000 0.949 352 S CB -0.508 62.702 63.200 0.017 0.000 0.766 352 S HN 0.250 nan 8.310 nan 0.000 0.517 353 V N 1.851 121.677 119.914 -0.147 0.000 2.331 353 V HA -0.047 4.072 4.120 -0.000 0.000 0.242 353 V C 2.570 178.467 176.094 -0.328 0.000 1.034 353 V CA 1.564 63.675 62.300 -0.315 0.000 1.027 353 V CB -0.728 30.747 31.823 -0.581 0.000 0.667 353 V HN 0.617 nan 8.190 nan 0.000 0.457 354 H N 0.104 119.154 119.070 -0.034 0.000 2.497 354 H HA 0.353 4.909 4.556 -0.000 0.000 0.282 354 H C 1.166 176.479 175.328 -0.025 0.000 1.003 354 H CA 1.076 57.032 56.048 -0.153 0.000 1.307 354 H CB 0.243 29.694 29.762 -0.518 0.000 1.437 354 H HN 0.440 nan 8.280 nan 0.000 0.544 355 A N 2.528 125.486 122.820 0.231 0.000 3.105 355 A HA 0.289 4.609 4.320 -0.000 0.000 0.336 355 A C -1.725 175.943 177.584 0.139 0.000 1.042 355 A CA -1.204 50.975 52.037 0.237 0.000 0.851 355 A CB 0.521 19.744 19.000 0.373 0.000 1.068 355 A HN 0.008 nan 8.150 nan 0.000 0.477 356 P HA -0.114 nan 4.420 nan 0.000 0.222 356 P C 0.260 177.593 177.300 0.054 0.000 1.147 356 P CA 1.067 64.194 63.100 0.045 0.000 0.790 356 P CB 0.315 32.025 31.700 0.016 0.000 0.780 357 D N -0.799 119.642 120.400 0.068 0.000 2.340 357 D HA 0.085 4.725 4.640 -0.000 0.000 0.220 357 D C 1.871 178.216 176.300 0.076 0.000 1.039 357 D CA 0.276 54.316 54.000 0.065 0.000 0.866 357 D CB 0.071 40.910 40.800 0.064 0.000 0.913 357 D HN 0.257 nan 8.370 nan 0.000 0.523 358 L N -0.313 120.966 121.223 0.093 0.000 2.270 358 L HA 0.112 4.452 4.340 -0.000 0.000 0.210 358 L C 0.780 177.701 176.870 0.085 0.000 1.104 358 L CA 0.688 55.587 54.840 0.099 0.000 0.804 358 L CB 0.229 42.362 42.059 0.124 0.000 0.937 358 L HN -0.105 nan 8.230 nan 0.000 0.450 359 L N -0.338 120.928 121.223 0.072 0.000 2.388 359 L HA 0.446 4.786 4.340 -0.000 0.000 0.264 359 L C -2.203 174.692 176.870 0.041 0.000 0.998 359 L CA -1.827 53.048 54.840 0.058 0.000 0.817 359 L CB 2.234 44.329 42.059 0.059 0.000 1.338 359 L HN -0.173 nan 8.230 nan 0.000 0.414 360 P HA 0.175 nan 4.420 nan 0.000 0.274 360 P C -1.501 175.823 177.300 0.040 0.000 1.246 360 P CA -0.419 62.701 63.100 0.033 0.000 0.795 360 P CB 1.276 32.989 31.700 0.022 0.000 1.006 361 Q N 1.394 121.219 119.800 0.043 0.000 2.709 361 Q HA 0.299 4.639 4.340 -0.000 0.000 0.232 361 Q C -2.417 173.611 176.000 0.047 0.000 0.856 361 Q CA -1.567 54.265 55.803 0.049 0.000 0.788 361 Q CB 1.158 29.936 28.738 0.066 0.000 1.386 361 Q HN 0.053 nan 8.270 nan 0.000 0.453 362 P HA -0.203 nan 4.420 nan 0.000 0.217 362 P C 1.061 178.387 177.300 0.043 0.000 1.148 362 P CA 0.886 64.007 63.100 0.034 0.000 0.834 362 P CB 0.390 32.105 31.700 0.025 0.000 0.783 363 V N -0.933 119.011 119.914 0.049 0.000 2.871 363 V HA -0.044 4.076 4.120 -0.000 0.000 0.256 363 V C 0.903 177.049 176.094 0.088 0.000 1.082 363 V CA 0.630 62.965 62.300 0.058 0.000 1.105 363 V CB -0.219 31.633 31.823 0.048 0.000 0.713 363 V HN -0.165 nan 8.190 nan 0.000 0.473 364 V N 2.267 122.237 119.914 0.094 0.000 2.479 364 V HA 0.157 4.277 4.120 -0.000 0.000 0.281 364 V C -0.159 176.002 176.094 0.111 0.000 1.031 364 V CA 0.117 62.491 62.300 0.124 0.000 1.038 364 V CB 1.018 32.906 31.823 0.108 0.000 0.981 364 V HN 0.480 nan 8.190 nan 0.000 0.478 365 D N 7.448 127.946 120.400 0.163 0.000 2.471 365 D HA 0.410 5.050 4.640 -0.000 0.000 0.245 365 D C -1.965 174.461 176.300 0.209 0.000 1.116 365 D CA -2.227 51.862 54.000 0.148 0.000 0.853 365 D CB 2.484 43.368 40.800 0.140 0.000 1.123 365 D HN 0.186 nan 8.370 nan 0.000 0.540 366 P HA 0.028 nan 4.420 nan 0.000 0.230 366 P C 0.405 177.817 177.300 0.187 0.000 1.158 366 P CA 0.435 63.538 63.100 0.005 0.000 0.769 366 P CB 0.508 32.181 31.700 -0.045 0.000 0.807 367 D N -0.505 120.023 120.400 0.214 0.000 2.224 367 D HA -0.003 4.636 4.640 -0.000 0.000 0.205 367 D C 0.871 177.359 176.300 0.313 0.000 0.965 367 D CA 0.479 54.621 54.000 0.236 0.000 0.852 367 D CB -0.421 40.470 40.800 0.151 0.000 0.947 367 D HN 0.218 nan 8.370 nan 0.000 0.494 368 I N 1.029 121.794 120.570 0.326 0.000 2.618 368 I HA 0.008 4.178 4.170 -0.000 0.000 0.284 368 I C 0.834 177.106 176.117 0.258 0.000 1.146 368 I CA 0.158 61.602 61.300 0.240 0.000 1.425 368 I CB 0.566 38.680 38.000 0.191 0.000 1.383 368 I HN -0.285 nan 8.210 nan 0.000 0.562 369 R N 6.635 127.151 120.500 0.027 0.000 2.363 369 R HA 0.213 4.553 4.340 -0.000 0.000 0.297 369 R C -0.173 176.106 176.300 -0.035 0.000 1.208 369 R CA -0.632 55.344 56.100 -0.208 0.000 1.121 369 R CB 0.254 30.054 30.300 -0.833 0.000 1.124 369 R HN 0.774 nan 8.270 nan 0.000 0.561 370 N N 2.941 121.693 118.700 0.087 0.000 2.385 370 N HA -0.022 4.718 4.740 -0.000 0.000 0.291 370 N C 0.817 176.355 175.510 0.047 0.000 1.298 370 N CA -0.188 52.870 53.050 0.015 0.000 0.955 370 N CB 0.179 38.613 38.487 -0.089 0.000 1.096 370 N HN 0.571 nan 8.380 nan 0.000 0.543 371 R N -1.006 119.476 120.500 -0.031 0.000 2.189 371 R HA -0.057 4.283 4.340 -0.000 0.000 0.223 371 R C 1.963 178.282 176.300 0.031 0.000 1.092 371 R CA 1.504 57.611 56.100 0.012 0.000 0.989 371 R CB -1.288 29.016 30.300 0.007 0.000 0.876 371 R HN 0.675 nan 8.270 nan 0.000 0.457 372 C N -0.207 118.972 119.300 -0.202 0.000 2.437 372 C HA 0.076 4.536 4.460 -0.000 0.000 0.283 372 C C 0.479 175.310 174.990 -0.265 0.000 1.424 372 C CA -1.149 57.642 59.018 -0.379 0.000 1.782 372 C CB -1.380 25.921 27.740 -0.733 0.000 1.833 372 C HN 0.528 nan 8.230 nan 0.000 0.532 373 W N 2.219 123.516 121.300 -0.005 0.000 2.416 373 W HA 0.545 5.205 4.660 -0.000 0.000 0.318 373 W C -0.040 176.477 176.519 -0.003 0.000 1.150 373 W CA -0.177 57.163 57.345 -0.008 0.000 1.392 373 W CB 0.112 29.518 29.460 -0.089 0.000 1.311 373 W HN 0.201 nan 8.180 nan 0.000 0.436 374 D N 2.419 122.922 120.400 0.171 0.000 2.300 374 D HA -0.004 4.636 4.640 -0.000 0.000 0.218 374 D C 0.372 176.665 176.300 -0.011 0.000 1.326 374 D CA -0.281 53.741 54.000 0.037 0.000 0.942 374 D CB 0.913 41.669 40.800 -0.073 0.000 1.495 374 D HN 0.214 nan 8.370 nan 0.000 0.545 375 D N 1.937 122.342 120.400 0.009 0.000 2.218 375 D HA -0.100 4.540 4.640 -0.000 0.000 0.204 375 D C 1.356 177.628 176.300 -0.047 0.000 0.976 375 D CA 0.824 54.826 54.000 0.003 0.000 0.853 375 D CB 0.474 41.285 40.800 0.018 0.000 0.939 375 D HN 0.451 nan 8.370 nan 0.000 0.481 376 K N 0.288 120.639 120.400 -0.082 0.000 2.362 376 K HA -0.040 4.280 4.320 -0.000 0.000 0.200 376 K C 1.513 178.013 176.600 -0.167 0.000 1.046 376 K CA 0.668 56.889 56.287 -0.109 0.000 0.952 376 K CB 0.215 32.650 32.500 -0.109 0.000 0.753 376 K HN -0.061 nan 8.250 nan 0.000 0.466 377 K N 0.578 120.835 120.400 -0.238 0.000 2.399 377 K HA 0.064 4.384 4.320 -0.000 0.000 0.204 377 K C -0.702 175.794 176.600 -0.173 0.000 1.023 377 K CA -0.166 55.917 56.287 -0.341 0.000 1.127 377 K CB 1.086 33.048 32.500 -0.896 0.000 0.856 377 K HN -0.045 nan 8.250 nan 0.000 0.514 378 V N -2.442 117.413 119.914 -0.098 0.000 2.656 378 V HA 0.432 4.552 4.120 -0.000 0.000 0.307 378 V C -0.229 175.814 176.094 -0.085 0.000 1.051 378 V CA -0.945 61.317 62.300 -0.064 0.000 0.893 378 V CB 2.074 33.901 31.823 0.007 0.000 0.999 378 V HN -0.121 nan 8.190 nan 0.000 0.426 379 D N 3.643 123.950 120.400 -0.154 0.000 2.502 379 D HA 0.384 5.024 4.640 -0.000 0.000 0.271 379 D C 1.537 177.797 176.300 -0.065 0.000 1.228 379 D CA 0.898 54.827 54.000 -0.119 0.000 1.032 379 D CB 0.501 41.216 40.800 -0.142 0.000 0.925 379 D HN 0.740 nan 8.370 nan 0.000 0.248 380 A N 0.134 122.925 122.820 -0.049 0.000 2.220 380 A HA 0.047 4.367 4.320 -0.000 0.000 0.211 380 A C 0.661 178.293 177.584 0.080 0.000 1.176 380 A CA 0.364 52.443 52.037 0.070 0.000 0.834 380 A CB -0.333 18.764 19.000 0.161 0.000 0.868 380 A HN 0.498 nan 8.150 nan 0.000 0.488 381 H N -1.530 117.559 119.070 0.031 0.000 2.864 381 H HA 0.738 5.294 4.556 -0.000 0.000 0.354 381 H C -0.729 174.621 175.328 0.037 0.000 1.208 381 H CA -0.096 55.935 56.048 -0.027 0.000 1.191 381 H CB 0.932 30.710 29.762 0.027 0.000 1.889 381 H HN 0.439 nan 8.280 nan 0.000 0.574 382 H N -1.211 117.964 119.070 0.176 0.000 2.933 382 H HA 0.649 5.205 4.556 -0.000 0.000 0.310 382 H C -0.868 174.511 175.328 0.085 0.000 1.351 382 H CA -0.588 55.495 56.048 0.059 0.000 1.137 382 H CB 0.460 30.198 29.762 -0.040 0.000 1.853 382 H HN 0.925 nan 8.280 nan 0.000 0.539 383 A N 0.602 123.594 122.820 0.286 0.000 2.547 383 A HA 0.277 4.597 4.320 -0.000 0.000 0.233 383 A C 0.164 177.894 177.584 0.244 0.000 1.067 383 A CA -0.151 51.987 52.037 0.169 0.000 0.763 383 A CB -0.603 18.402 19.000 0.008 0.000 1.007 383 A HN 0.567 nan 8.150 nan 0.000 0.506 384 I N 2.443 123.100 120.570 0.146 0.000 2.436 384 I HA 0.286 4.456 4.170 -0.000 0.000 0.289 384 I C 0.248 176.451 176.117 0.142 0.000 1.083 384 I CA 0.419 61.796 61.300 0.129 0.000 1.372 384 I CB -0.369 37.676 38.000 0.074 0.000 1.408 384 I HN 0.580 nan 8.210 nan 0.000 0.516 385 I N 4.907 125.565 120.570 0.146 0.000 3.174 385 I HA 0.705 4.875 4.170 -0.000 0.000 0.313 385 I C -2.898 173.226 176.117 0.012 0.000 1.155 385 I CA -2.870 58.470 61.300 0.067 0.000 0.977 385 I CB 2.096 40.142 38.000 0.077 0.000 1.248 385 I HN 0.128 nan 8.210 nan 0.000 0.453 386 P HA 0.204 nan 4.420 nan 0.000 0.274 386 P C -0.403 176.907 177.300 0.017 0.000 1.231 386 P CA -0.081 63.003 63.100 -0.027 0.000 0.790 386 P CB 0.677 32.325 31.700 -0.087 0.000 0.951 387 T N -2.020 112.608 114.554 0.123 0.000 2.810 387 T HA 0.500 4.850 4.350 -0.000 0.000 0.277 387 T C 0.975 175.736 174.700 0.102 0.000 0.973 387 T CA -0.419 61.753 62.100 0.121 0.000 0.949 387 T CB 0.448 69.396 68.868 0.133 0.000 1.075 387 T HN 0.284 nan 8.240 nan 0.000 0.537 388 A N -0.275 122.599 122.820 0.090 0.000 2.337 388 A HA 0.261 4.581 4.320 -0.000 0.000 0.227 388 A C 1.133 178.778 177.584 0.103 0.000 1.259 388 A CA -0.395 51.692 52.037 0.083 0.000 0.870 388 A CB -0.594 18.439 19.000 0.055 0.000 0.927 388 A HN 0.742 nan 8.150 nan 0.000 0.497 389 R N 0.952 121.525 120.500 0.123 0.000 2.449 389 R HA 0.135 4.475 4.340 -0.000 0.000 0.296 389 R C 0.860 177.307 176.300 0.245 0.000 1.047 389 R CA 0.802 56.980 56.100 0.131 0.000 1.018 389 R CB 0.413 30.762 30.300 0.080 0.000 0.962 389 R HN 0.393 nan 8.270 nan 0.000 0.428 390 S N 0.896 116.680 115.700 0.141 0.000 2.539 390 S HA 0.077 4.547 4.470 -0.000 0.000 0.221 390 S C -0.077 174.543 174.600 0.034 0.000 0.987 390 S CA -0.549 57.691 58.200 0.066 0.000 0.929 390 S CB 0.548 63.756 63.200 0.013 0.000 0.832 390 S HN 0.452 nan 8.310 nan 0.000 0.492 391 S N 2.626 118.381 115.700 0.091 0.000 2.549 391 S HA 0.636 5.106 4.470 -0.000 0.000 0.279 391 S C 0.457 175.118 174.600 0.101 0.000 1.321 391 S CA -0.390 57.847 58.200 0.060 0.000 1.054 391 S CB 0.888 64.116 63.200 0.047 0.000 0.899 391 S HN 0.701 nan 8.310 nan 0.000 0.497 392 A N 3.809 126.645 122.820 0.027 0.000 2.462 392 A HA 0.498 4.818 4.320 -0.000 0.000 0.243 392 A C 0.007 177.609 177.584 0.030 0.000 1.076 392 A CA -0.145 51.901 52.037 0.015 0.000 0.773 392 A CB -0.137 18.847 19.000 -0.027 0.000 1.010 392 A HN 0.718 nan 8.150 nan 0.000 0.493 393 I N 1.737 122.321 120.570 0.023 0.000 2.647 393 I HA 0.207 4.377 4.170 -0.000 0.000 0.295 393 I C -0.497 175.552 176.117 -0.115 0.000 1.078 393 I CA -0.819 60.440 61.300 -0.069 0.000 1.048 393 I CB 2.013 39.907 38.000 -0.177 0.000 1.239 393 I HN 0.660 nan 8.210 nan 0.000 0.421 394 N N 5.791 124.415 118.700 -0.126 0.000 2.415 394 N HA 0.370 5.109 4.740 -0.000 0.000 0.250 394 N C -0.912 174.477 175.510 -0.201 0.000 1.127 394 N CA 0.021 53.000 53.050 -0.119 0.000 0.945 394 N CB 0.184 38.630 38.487 -0.068 0.000 1.196 394 N HN 0.424 nan 8.380 nan 0.000 0.499 395 L N 1.497 122.603 121.223 -0.195 0.000 2.343 395 L HA 0.432 4.772 4.340 -0.000 0.000 0.275 395 L C 1.194 177.995 176.870 -0.115 0.000 1.056 395 L CA -0.949 53.763 54.840 -0.214 0.000 0.804 395 L CB 1.340 43.271 42.059 -0.214 0.000 1.203 395 L HN 0.457 nan 8.230 nan 0.000 0.440 396 T N -2.625 111.878 114.554 -0.086 0.000 2.813 396 T HA 0.044 4.394 4.350 -0.000 0.000 0.297 396 T C 0.959 175.620 174.700 -0.065 0.000 1.036 396 T CA -0.455 61.611 62.100 -0.056 0.000 1.044 396 T CB 1.210 70.058 68.868 -0.033 0.000 0.993 396 T HN 0.736 nan 8.240 nan 0.000 0.535 397 E N 0.842 121.004 120.200 -0.064 0.000 2.086 397 E HA -0.267 4.083 4.350 -0.000 0.000 0.200 397 E C 1.749 178.272 176.600 -0.128 0.000 1.012 397 E CA 1.702 58.051 56.400 -0.084 0.000 0.812 397 E CB -0.102 29.553 29.700 -0.074 0.000 0.743 397 E HN 0.633 nan 8.360 nan 0.000 0.453 398 N N 0.349 118.981 118.700 -0.113 0.000 2.270 398 N HA -0.100 4.640 4.740 -0.000 0.000 0.181 398 N C 1.524 176.976 175.510 -0.096 0.000 1.016 398 N CA 0.778 53.746 53.050 -0.136 0.000 0.870 398 N CB -0.135 38.298 38.487 -0.090 0.000 0.979 398 N HN 0.264 nan 8.380 nan 0.000 0.431 399 E N 0.693 120.862 120.200 -0.053 0.000 2.051 399 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 399 E C 1.890 178.493 176.600 0.005 0.000 0.991 399 E CA 1.204 57.595 56.400 -0.014 0.000 0.799 399 E CB -0.068 29.619 29.700 -0.023 0.000 0.748 399 E HN 0.344 nan 8.360 nan 0.000 0.449 400 A N 1.423 124.225 122.820 -0.030 0.000 1.902 400 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 400 A C 1.929 179.528 177.584 0.025 0.000 1.181 400 A CA 1.489 53.534 52.037 0.014 0.000 0.623 400 A CB -0.291 18.696 19.000 -0.021 0.000 0.818 400 A HN 0.044 nan 8.150 nan 0.000 0.443 401 K N -0.491 119.832 120.400 -0.130 0.000 2.032 401 K HA -0.112 4.208 4.320 -0.000 0.000 0.209 401 K C 1.878 178.460 176.600 -0.030 0.000 1.048 401 K CA 1.638 57.751 56.287 -0.291 0.000 0.927 401 K CB -0.381 31.561 32.500 -0.932 0.000 0.712 401 K HN 0.316 nan 8.250 nan 0.000 0.441 402 V N 0.279 120.192 119.914 -0.001 0.000 2.379 402 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 402 V C 1.991 178.164 176.094 0.132 0.000 1.044 402 V CA 1.549 63.898 62.300 0.082 0.000 1.036 402 V CB -0.553 31.297 31.823 0.046 0.000 0.664 402 V HN 0.273 nan 8.190 nan 0.000 0.453 403 Y N 1.568 121.894 120.300 0.043 0.000 2.165 403 Y HA -0.263 4.287 4.550 -0.000 0.000 0.286 403 Y C 2.536 178.503 175.900 0.111 0.000 1.155 403 Y CA 2.118 60.257 58.100 0.065 0.000 1.164 403 Y CB -0.381 38.097 38.460 0.029 0.000 0.978 403 Y HN 0.286 nan 8.280 nan 0.000 0.513 404 N N 0.131 118.950 118.700 0.199 0.000 2.120 404 N HA -0.212 4.528 4.740 -0.000 0.000 0.188 404 N C 1.936 177.525 175.510 0.133 0.000 1.024 404 N CA 1.589 54.737 53.050 0.163 0.000 0.852 404 N CB -0.352 38.262 38.487 0.211 0.000 1.003 404 N HN 0.385 nan 8.380 nan 0.000 0.424 405 L N 1.192 122.536 121.223 0.202 0.000 2.012 405 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 405 L C 2.266 179.316 176.870 0.300 0.000 1.073 405 L CA 1.137 56.141 54.840 0.274 0.000 0.748 405 L CB -0.314 41.917 42.059 0.287 0.000 0.891 405 L HN 0.166 nan 8.230 nan 0.000 0.431 406 I N -0.760 119.910 120.570 0.167 0.000 2.252 406 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 406 I C 2.702 178.817 176.117 -0.005 0.000 1.102 406 I CA 1.097 62.484 61.300 0.145 0.000 1.385 406 I CB -0.401 37.604 38.000 0.008 0.000 1.064 406 I HN 0.193 nan 8.210 nan 0.000 0.414 407 A N 0.605 123.319 122.820 -0.178 0.000 1.897 407 A HA -0.190 4.130 4.320 -0.000 0.000 0.215 407 A C 2.443 180.073 177.584 0.077 0.000 1.181 407 A CA 1.302 53.256 52.037 -0.138 0.000 0.620 407 A CB -0.561 18.266 19.000 -0.289 0.000 0.821 407 A HN 0.293 nan 8.150 nan 0.000 0.443 408 R N -0.738 119.812 120.500 0.083 0.000 2.091 408 R HA -0.225 4.115 4.340 -0.000 0.000 0.238 408 R C 2.353 178.696 176.300 0.072 0.000 1.136 408 R CA 2.021 58.188 56.100 0.112 0.000 0.959 408 R CB -0.256 30.122 30.300 0.129 0.000 0.856 408 R HN 0.574 nan 8.270 nan 0.000 0.437 409 Q N -0.796 119.001 119.800 -0.004 0.000 2.170 409 Q HA -0.203 4.137 4.340 -0.000 0.000 0.203 409 Q C 1.658 177.589 176.000 -0.115 0.000 0.976 409 Q CA 1.668 57.349 55.803 -0.205 0.000 0.858 409 Q CB -0.285 28.073 28.738 -0.634 0.000 0.907 409 Q HN 0.481 nan 8.270 nan 0.000 0.433 410 Y N -0.099 120.144 120.300 -0.094 0.000 2.181 410 Y HA -0.169 4.381 4.550 -0.000 0.000 0.288 410 Y C 1.402 177.395 175.900 0.155 0.000 1.146 410 Y CA 1.581 59.683 58.100 0.004 0.000 1.164 410 Y CB 0.023 38.518 38.460 0.058 0.000 0.982 410 Y HN 0.113 nan 8.280 nan 0.000 0.515 411 L N -0.678 120.679 121.223 0.223 0.000 2.217 411 L HA -0.204 4.136 4.340 -0.000 0.000 0.211 411 L C 2.411 179.385 176.870 0.172 0.000 1.107 411 L CA 0.974 55.954 54.840 0.233 0.000 0.783 411 L CB -0.496 41.690 42.059 0.212 0.000 0.919 411 L HN 0.288 nan 8.230 nan 0.000 0.442 412 M N -0.667 118.972 119.600 0.065 0.000 2.202 412 M HA -0.215 4.265 4.480 -0.000 0.000 0.262 412 M C 2.117 178.374 176.300 -0.073 0.000 1.063 412 M CA 1.451 56.767 55.300 0.025 0.000 1.097 412 M CB -0.236 32.312 32.600 -0.087 0.000 1.382 412 M HN 0.267 nan 8.290 nan 0.000 0.413 413 Q N -0.676 119.002 119.800 -0.203 0.000 2.364 413 Q HA -0.033 4.307 4.340 -0.000 0.000 0.207 413 Q C 0.878 176.638 176.000 -0.400 0.000 0.970 413 Q CA 1.177 56.744 55.803 -0.393 0.000 0.888 413 Q CB -0.210 28.143 28.738 -0.641 0.000 0.951 413 Q HN 0.533 nan 8.270 nan 0.000 0.469 414 F N -0.698 119.248 119.950 -0.007 0.000 2.668 414 F HA 0.169 4.696 4.527 -0.000 0.000 0.297 414 F C 0.319 176.160 175.800 0.069 0.000 1.124 414 F CA -0.539 57.495 58.000 0.057 0.000 1.353 414 F CB 0.518 39.540 39.000 0.037 0.000 0.992 414 F HN -0.148 nan 8.300 nan 0.000 0.524 415 C N 0.859 120.263 119.300 0.174 0.000 2.435 415 C HA 0.536 4.996 4.460 -0.000 0.000 0.333 415 C C -1.900 173.186 174.990 0.159 0.000 1.202 415 C CA -1.725 57.401 59.018 0.180 0.000 1.830 415 C CB 1.490 29.368 27.740 0.229 0.000 2.326 415 C HN 0.094 nan 8.230 nan 0.000 0.507 416 P HA 0.124 nan 4.420 nan 0.000 0.270 416 P C -0.644 176.770 177.300 0.190 0.000 1.223 416 P CA 0.016 63.188 63.100 0.120 0.000 0.785 416 P CB 0.412 32.157 31.700 0.075 0.000 0.923 417 D N -0.099 120.404 120.400 0.171 0.000 2.423 417 D HA 0.207 4.847 4.640 -0.000 0.000 0.238 417 D C 0.339 176.714 176.300 0.125 0.000 1.142 417 D CA 0.288 54.436 54.000 0.247 0.000 0.884 417 D CB 0.198 41.092 40.800 0.156 0.000 1.199 417 D HN 0.308 nan 8.370 nan 0.000 0.438 418 A N 1.672 124.540 122.820 0.079 0.000 2.440 418 A HA 0.371 4.691 4.320 -0.000 0.000 0.251 418 A C -0.169 177.342 177.584 -0.121 0.000 1.089 418 A CA -0.382 51.527 52.037 -0.214 0.000 0.779 418 A CB 0.416 19.150 19.000 -0.443 0.000 1.022 418 A HN 0.323 nan 8.150 nan 0.000 0.492 419 V N 3.338 123.096 119.914 -0.261 0.000 2.444 419 V HA 0.449 4.569 4.120 -0.000 0.000 0.294 419 V C -0.744 175.145 176.094 -0.342 0.000 1.022 419 V CA -0.209 61.990 62.300 -0.168 0.000 0.850 419 V CB 0.706 32.462 31.823 -0.111 0.000 0.992 419 V HN 0.722 nan 8.190 nan 0.000 0.426 420 F N 3.159 123.027 119.950 -0.137 0.000 2.440 420 F HA 0.669 5.196 4.527 -0.000 0.000 0.328 420 F C 0.736 176.361 175.800 -0.292 0.000 1.070 420 F CA -0.772 57.100 58.000 -0.215 0.000 1.011 420 F CB 1.549 40.457 39.000 -0.153 0.000 1.226 420 F HN 0.236 nan 8.300 nan 0.000 0.491 421 R N 1.554 121.864 120.500 -0.318 0.000 2.360 421 R HA 0.330 4.670 4.340 -0.000 0.000 0.318 421 R C -0.933 175.203 176.300 -0.274 0.000 0.950 421 R CA -0.919 54.959 56.100 -0.369 0.000 0.837 421 R CB 1.795 31.740 30.300 -0.592 0.000 1.165 421 R HN 0.494 nan 8.270 nan 0.000 0.458 422 K N 2.396 122.711 120.400 -0.142 0.000 2.183 422 K HA 0.296 4.616 4.320 -0.000 0.000 0.274 422 K C -1.176 175.356 176.600 -0.114 0.000 1.009 422 K CA -0.398 55.828 56.287 -0.100 0.000 0.888 422 K CB 1.236 33.684 32.500 -0.088 0.000 1.078 422 K HN 0.523 nan 8.250 nan 0.000 0.459 423 C N 4.954 124.203 119.300 -0.085 0.000 2.396 423 C HA 0.662 5.122 4.460 -0.000 0.000 0.321 423 C C -1.220 173.690 174.990 -0.133 0.000 1.233 423 C CA -0.445 58.487 59.018 -0.144 0.000 1.440 423 C CB 0.509 28.211 27.740 -0.064 0.000 2.110 423 C HN 0.607 nan 8.230 nan 0.000 0.473 424 V N 7.530 127.326 119.914 -0.197 0.000 2.487 424 V HA 0.534 4.654 4.120 -0.000 0.000 0.298 424 V C -0.347 175.689 176.094 -0.097 0.000 1.028 424 V CA -0.312 61.920 62.300 -0.114 0.000 0.860 424 V CB 1.652 33.424 31.823 -0.086 0.000 0.991 424 V HN 0.749 nan 8.190 nan 0.000 0.427 425 I N 3.743 124.308 120.570 -0.007 0.000 2.382 425 I HA 0.418 4.588 4.170 -0.000 0.000 0.285 425 I C 0.075 176.272 176.117 0.133 0.000 1.007 425 I CA -0.359 60.992 61.300 0.086 0.000 1.142 425 I CB 1.618 39.665 38.000 0.078 0.000 1.289 425 I HN 0.588 nan 8.210 nan 0.000 0.453 426 E N 7.140 127.420 120.200 0.134 0.000 2.200 426 E HA 0.533 4.883 4.350 -0.000 0.000 0.283 426 E C -1.000 175.710 176.600 0.184 0.000 1.015 426 E CA -0.478 56.014 56.400 0.153 0.000 0.819 426 E CB 1.913 31.680 29.700 0.111 0.000 1.081 426 E HN 0.449 nan 8.360 nan 0.000 0.397 427 L N 2.342 123.705 121.223 0.234 0.000 2.354 427 L HA 0.364 4.704 4.340 -0.000 0.000 0.269 427 L C -0.112 176.903 176.870 0.242 0.000 1.005 427 L CA -0.797 54.176 54.840 0.221 0.000 0.819 427 L CB 1.864 44.058 42.059 0.224 0.000 1.311 427 L HN 0.426 nan 8.230 nan 0.000 0.423 428 D N 3.797 124.296 120.400 0.164 0.000 2.454 428 D HA 0.359 4.999 4.640 -0.000 0.000 0.225 428 D C -0.812 175.539 176.300 0.086 0.000 1.081 428 D CA -0.269 53.827 54.000 0.160 0.000 0.864 428 D CB 0.952 41.821 40.800 0.114 0.000 1.040 428 D HN 0.320 nan 8.370 nan 0.000 0.517 429 I N 2.722 123.344 120.570 0.087 0.000 2.371 429 I HA 0.297 4.467 4.170 -0.000 0.000 0.282 429 I C 0.656 176.775 176.117 0.004 0.000 1.031 429 I CA -0.746 60.494 61.300 -0.100 0.000 1.180 429 I CB 1.328 39.000 38.000 -0.545 0.000 1.336 429 I HN 0.483 nan 8.210 nan 0.000 0.467 430 A N 6.456 129.277 122.820 0.002 0.000 2.136 430 A HA -0.213 4.107 4.320 -0.000 0.000 0.274 430 A C 1.174 178.797 177.584 0.065 0.000 1.388 430 A CA 0.838 52.887 52.037 0.020 0.000 0.741 430 A CB -1.081 17.914 19.000 -0.009 0.000 1.173 430 A HN 0.892 nan 8.150 nan 0.000 0.329 431 K N -3.517 116.932 120.400 0.082 0.000 3.529 431 K HA -0.235 4.085 4.320 -0.000 0.000 0.313 431 K C 0.622 177.314 176.600 0.153 0.000 1.316 431 K CA 1.803 58.150 56.287 0.100 0.000 0.988 431 K CB -2.190 30.355 32.500 0.076 0.000 1.252 431 K HN 2.166 nan 8.250 nan 0.000 0.438 432 G N 0.938 109.871 108.800 0.220 0.000 2.432 432 G HA2 0.520 4.480 3.960 -0.000 0.000 0.331 432 G HA3 0.520 4.480 3.960 -0.000 0.000 0.331 432 G C -0.523 174.629 174.900 0.420 0.000 1.170 432 G CA -0.701 44.596 45.100 0.328 0.000 0.943 432 G HN -0.088 nan 8.290 nan 0.000 0.483 433 K N 0.424 121.025 120.400 0.334 0.000 2.172 433 K HA 0.466 4.786 4.320 -0.000 0.000 0.276 433 K C -1.423 175.310 176.600 0.222 0.000 1.013 433 K CA -0.110 56.345 56.287 0.280 0.000 0.913 433 K CB 1.649 34.232 32.500 0.138 0.000 1.055 433 K HN 0.315 nan 8.250 nan 0.000 0.461 434 F N 0.335 120.405 119.950 0.199 0.000 2.578 434 F HA 0.333 4.860 4.527 -0.000 0.000 0.311 434 F C -0.401 175.495 175.800 0.160 0.000 1.094 434 F CA -0.933 57.189 58.000 0.203 0.000 0.923 434 F CB 1.963 41.068 39.000 0.175 0.000 1.230 434 F HN 0.011 nan 8.300 nan 0.000 0.450 435 V N 2.459 122.545 119.914 0.286 0.000 2.577 435 V HA 0.821 4.941 4.120 -0.000 0.000 0.303 435 V C -0.731 175.481 176.094 0.196 0.000 1.042 435 V CA -0.841 61.574 62.300 0.191 0.000 0.872 435 V CB 1.646 33.527 31.823 0.096 0.000 0.998 435 V HN 0.886 nan 8.190 nan 0.000 0.423 436 A N 5.136 128.062 122.820 0.177 0.000 2.331 436 A HA 0.870 5.190 4.320 -0.000 0.000 0.320 436 A C -0.499 177.108 177.584 0.038 0.000 1.138 436 A CA -0.691 51.430 52.037 0.140 0.000 0.790 436 A CB 1.046 20.143 19.000 0.161 0.000 1.206 436 A HN 0.774 nan 8.150 nan 0.000 0.470 437 K N 0.874 121.296 120.400 0.038 0.000 2.397 437 K HA 0.726 5.046 4.320 -0.000 0.000 0.253 437 K C -0.849 175.765 176.600 0.023 0.000 0.932 437 K CA -0.398 55.896 56.287 0.011 0.000 0.795 437 K CB 2.496 35.003 32.500 0.012 0.000 1.159 437 K HN 0.864 nan 8.250 nan 0.000 0.424 438 A N 2.736 125.570 122.820 0.024 0.000 2.449 438 A HA 0.702 5.022 4.320 -0.000 0.000 0.302 438 A C -1.317 176.325 177.584 0.096 0.000 1.048 438 A CA -0.716 51.370 52.037 0.082 0.000 0.708 438 A CB 1.537 20.609 19.000 0.120 0.000 1.274 438 A HN 0.742 nan 8.150 nan 0.000 0.410 439 R N 1.646 122.227 120.500 0.135 0.000 2.518 439 R HA 0.589 4.929 4.340 -0.000 0.000 0.296 439 R C -1.636 174.830 176.300 0.277 0.000 1.080 439 R CA -0.373 55.792 56.100 0.109 0.000 0.922 439 R CB 0.871 31.159 30.300 -0.019 0.000 1.184 439 R HN 0.818 nan 8.270 nan 0.000 0.445 440 F N 2.082 122.139 119.950 0.180 0.000 2.579 440 F HA 0.579 5.106 4.527 -0.000 0.000 0.324 440 F C -1.303 174.610 175.800 0.189 0.000 1.058 440 F CA -1.601 56.511 58.000 0.186 0.000 0.944 440 F CB 0.870 39.914 39.000 0.074 0.000 1.245 440 F HN 0.216 nan 8.300 nan 0.000 0.477 441 L N 3.056 124.369 121.223 0.150 0.000 2.313 441 L HA 0.564 4.904 4.340 -0.000 0.000 0.282 441 L C 0.610 177.395 176.870 -0.141 0.000 1.092 441 L CA 0.309 54.923 54.840 -0.375 0.000 0.831 441 L CB 0.713 42.504 42.059 -0.447 0.000 1.159 441 L HN 0.947 nan 8.230 nan 0.000 0.442 442 A N 4.241 126.893 122.820 -0.280 0.000 1.956 442 A HA 0.235 4.555 4.320 -0.000 0.000 0.212 442 A C 0.450 177.962 177.584 -0.121 0.000 1.188 442 A CA 0.387 52.349 52.037 -0.125 0.000 0.675 442 A CB -0.010 18.881 19.000 -0.182 0.000 0.845 442 A HN 0.715 nan 8.150 nan 0.000 0.455 443 E N -1.362 118.711 120.200 -0.210 0.000 2.260 443 E HA 0.544 4.894 4.350 -0.000 0.000 0.266 443 E C 0.296 176.739 176.600 -0.261 0.000 0.887 443 E CA 0.038 56.334 56.400 -0.174 0.000 0.777 443 E CB 1.931 31.560 29.700 -0.117 0.000 1.205 443 E HN 0.211 nan 8.360 nan 0.000 0.414 444 A N 3.426 126.108 122.820 -0.230 0.000 1.933 444 A HA 0.076 4.396 4.320 -0.000 0.000 0.218 444 A C 1.484 178.864 177.584 -0.340 0.000 1.175 444 A CA 1.635 53.491 52.037 -0.300 0.000 0.628 444 A CB -1.056 17.818 19.000 -0.210 0.000 0.814 444 A HN 0.947 nan 8.150 nan 0.000 0.444 445 G N -0.526 108.159 108.800 -0.192 0.000 2.634 445 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.309 445 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.309 445 G C 0.986 175.835 174.900 -0.084 0.000 1.265 445 G CA 1.094 46.135 45.100 -0.099 0.000 0.998 445 G HN 1.248 nan 8.290 nan 0.000 0.551 446 W N 1.032 122.323 121.300 -0.016 0.000 2.424 446 W HA 0.013 4.673 4.660 -0.000 0.000 0.264 446 W C 2.024 178.541 176.519 -0.004 0.000 1.229 446 W CA 1.045 58.386 57.345 -0.007 0.000 1.208 446 W CB -0.725 28.724 29.460 -0.019 0.000 1.127 446 W HN 0.475 nan 8.180 nan 0.000 0.588 447 R N 0.592 120.694 120.500 -0.665 0.000 2.235 447 R HA -0.046 4.294 4.340 -0.000 0.000 0.213 447 R C 2.256 178.420 176.300 -0.227 0.000 1.059 447 R CA 1.596 57.328 56.100 -0.614 0.000 0.997 447 R CB -0.461 29.357 30.300 -0.803 0.000 0.884 447 R HN 0.081 nan 8.270 nan 0.000 0.462 448 T N 1.654 116.120 114.554 -0.146 0.000 2.737 448 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 448 T C 1.646 176.347 174.700 0.002 0.000 1.040 448 T CA 1.055 63.120 62.100 -0.057 0.000 1.142 448 T CB -0.068 68.785 68.868 -0.025 0.000 0.861 448 T HN 0.220 nan 8.240 nan 0.000 0.456 449 L N 0.151 121.404 121.223 0.050 0.000 2.465 449 L HA 0.174 4.514 4.340 -0.000 0.000 0.224 449 L C 0.746 177.671 176.870 0.092 0.000 1.145 449 L CA 0.223 55.120 54.840 0.095 0.000 0.834 449 L CB -0.491 41.657 42.059 0.149 0.000 0.944 449 L HN 0.234 nan 8.230 nan 0.000 0.451 450 L N -0.265 120.995 121.223 0.061 0.000 2.399 450 L HA 0.321 4.661 4.340 -0.000 0.000 0.266 450 L C 1.149 178.040 176.870 0.035 0.000 1.114 450 L CA -0.471 54.405 54.840 0.060 0.000 0.804 450 L CB 0.771 42.855 42.059 0.041 0.000 1.146 450 L HN -0.017 nan 8.230 nan 0.000 0.451 451 G N 0.729 109.553 108.800 0.039 0.000 2.720 451 G HA2 0.008 3.968 3.960 -0.000 0.000 0.237 451 G HA3 0.008 3.968 3.960 -0.000 0.000 0.237 451 G C 0.907 175.818 174.900 0.017 0.000 1.239 451 G CA -0.244 44.874 45.100 0.030 0.000 0.847 451 G HN 0.749 nan 8.290 nan 0.000 0.593 452 S N 0.242 115.953 115.700 0.018 0.000 2.380 452 S HA -0.150 4.320 4.470 -0.000 0.000 0.229 452 S C 2.430 177.035 174.600 0.009 0.000 1.043 452 S CA 1.506 59.713 58.200 0.013 0.000 1.038 452 S CB -0.142 63.068 63.200 0.016 0.000 0.872 452 S HN 0.560 nan 8.310 nan 0.000 0.456 453 K N 1.312 121.719 120.400 0.012 0.000 2.017 453 K HA -0.016 4.304 4.320 -0.000 0.000 0.207 453 K C 2.046 178.654 176.600 0.013 0.000 1.035 453 K CA 1.302 57.596 56.287 0.012 0.000 0.947 453 K CB -0.956 31.551 32.500 0.012 0.000 0.749 453 K HN 0.625 nan 8.250 nan 0.000 0.443 454 E N 1.286 121.495 120.200 0.014 0.000 2.394 454 E HA -0.233 4.117 4.350 -0.000 0.000 0.202 454 E C 2.050 178.659 176.600 0.016 0.000 1.029 454 E CA 0.973 57.386 56.400 0.021 0.000 0.855 454 E CB -0.268 29.448 29.700 0.028 0.000 0.770 454 E HN 0.202 nan 8.360 nan 0.000 0.527 455 R N 1.687 122.184 120.500 -0.005 0.000 2.070 455 R HA -0.154 4.186 4.340 -0.000 0.000 0.232 455 R C 0.579 176.857 176.300 -0.036 0.000 1.138 455 R CA 2.143 58.215 56.100 -0.047 0.000 0.936 455 R CB 0.004 30.268 30.300 -0.060 0.000 0.839 455 R HN 0.354 nan 8.270 nan 0.000 0.429 456 D N -1.335 119.064 120.400 -0.001 0.000 2.593 456 D HA 0.069 4.709 4.640 -0.000 0.000 0.241 456 D C 0.207 176.551 176.300 0.073 0.000 1.257 456 D CA -0.240 53.782 54.000 0.038 0.000 0.828 456 D CB 0.837 41.645 40.800 0.015 0.000 1.049 456 D HN 0.208 nan 8.370 nan 0.000 0.490 457 E N 0.458 120.694 120.200 0.061 0.000 2.511 457 E HA -0.058 4.292 4.350 -0.000 0.000 0.196 457 E C 1.318 177.959 176.600 0.067 0.000 1.066 457 E CA 0.398 56.832 56.400 0.057 0.000 0.871 457 E CB 0.125 29.849 29.700 0.040 0.000 0.863 457 E HN 0.412 nan 8.360 nan 0.000 0.520 458 E N 0.211 120.474 120.200 0.105 0.000 2.478 458 E HA -0.008 4.342 4.350 -0.000 0.000 0.194 458 E C -0.315 176.346 176.600 0.101 0.000 1.045 458 E CA -0.152 56.292 56.400 0.074 0.000 0.868 458 E CB 0.272 30.011 29.700 0.065 0.000 0.885 458 E HN 0.112 nan 8.360 nan 0.000 0.505 459 N N 2.212 121.022 118.700 0.182 0.000 2.427 459 N HA 0.024 4.763 4.740 -0.000 0.000 0.269 459 N C -1.329 174.247 175.510 0.109 0.000 1.235 459 N CA 0.616 53.779 53.050 0.188 0.000 0.934 459 N CB 0.760 39.359 38.487 0.186 0.000 1.121 459 N HN 0.094 nan 8.380 nan 0.000 0.480 460 D N 0.148 120.601 120.400 0.089 0.000 2.646 460 D HA 0.716 5.356 4.640 -0.000 0.000 0.245 460 D C 0.244 176.586 176.300 0.070 0.000 1.099 460 D CA -0.092 53.944 54.000 0.059 0.000 0.849 460 D CB 1.566 42.380 40.800 0.023 0.000 1.448 460 D HN 0.574 nan 8.370 nan 0.000 0.489 461 G N 1.025 109.864 108.800 0.065 0.000 2.712 461 G HA2 0.007 3.967 3.960 -0.000 0.000 0.686 461 G HA3 0.007 3.967 3.960 -0.000 0.000 0.686 461 G C -0.022 174.923 174.900 0.075 0.000 1.321 461 G CA -0.506 44.637 45.100 0.070 0.000 0.813 461 G HN 0.637 nan 8.290 nan 0.000 0.599 462 T N 0.063 114.661 114.554 0.073 0.000 2.909 462 T HA 0.680 5.029 4.350 -0.000 0.000 0.289 462 T C -1.924 172.803 174.700 0.045 0.000 1.005 462 T CA -1.069 61.066 62.100 0.058 0.000 1.084 462 T CB 1.529 70.440 68.868 0.071 0.000 0.975 462 T HN 0.552 nan 8.240 nan 0.000 0.509 463 P HA 0.199 nan 4.420 nan 0.000 0.266 463 P C -0.836 176.460 177.300 -0.008 0.000 1.186 463 P CA -0.081 62.991 63.100 -0.046 0.000 0.767 463 P CB 0.301 31.913 31.700 -0.147 0.000 0.820 464 L N 4.134 125.356 121.223 -0.003 0.000 2.362 464 L HA 0.471 4.811 4.340 -0.000 0.000 0.271 464 L C -1.907 174.955 176.870 -0.013 0.000 1.002 464 L CA -2.203 52.593 54.840 -0.074 0.000 0.818 464 L CB 1.782 43.755 42.059 -0.142 0.000 1.298 464 L HN 0.311 nan 8.230 nan 0.000 0.420 465 P HA 0.057 nan 4.420 nan 0.000 0.269 465 P C -0.625 176.659 177.300 -0.026 0.000 1.209 465 P CA -0.298 62.805 63.100 0.004 0.000 0.776 465 P CB 0.956 32.693 31.700 0.061 0.000 0.876 466 V N 3.521 123.389 119.914 -0.076 0.000 2.387 466 V HA 0.104 4.224 4.120 -0.000 0.000 0.260 466 V C 0.835 176.674 176.094 -0.424 0.000 1.054 466 V CA 0.070 62.203 62.300 -0.278 0.000 0.967 466 V CB 0.612 32.354 31.823 -0.135 0.000 1.036 466 V HN 0.309 nan 8.190 nan 0.000 0.481 467 V N 3.669 123.105 119.914 -0.798 0.000 3.181 467 V HA 0.990 5.110 4.120 -0.000 0.000 0.314 467 V C 0.187 175.971 176.094 -0.517 0.000 1.173 467 V CA -0.564 61.462 62.300 -0.456 0.000 1.052 467 V CB 2.163 33.881 31.823 -0.175 0.000 1.123 467 V HN 0.894 nan 8.190 nan 0.000 0.454 468 A N 0.394 123.103 122.820 -0.185 0.000 2.539 468 A HA 0.648 4.968 4.320 -0.000 0.000 0.296 468 A C -0.586 177.012 177.584 0.022 0.000 1.073 468 A CA -0.810 51.187 52.037 -0.067 0.000 0.700 468 A CB 1.277 20.242 19.000 -0.057 0.000 1.296 468 A HN 0.758 nan 8.150 nan 0.000 0.405 469 K N 0.728 121.164 120.400 0.061 0.000 2.404 469 K HA 0.236 4.556 4.320 -0.000 0.000 0.271 469 K C 1.074 177.701 176.600 0.045 0.000 1.130 469 K CA 1.754 58.080 56.287 0.066 0.000 1.181 469 K CB -0.461 32.078 32.500 0.064 0.000 0.840 469 K HN 2.085 nan 8.250 nan 0.000 0.483 470 G N 3.256 112.086 108.800 0.049 0.000 2.149 470 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.235 470 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.235 470 G C -0.606 174.312 174.900 0.029 0.000 1.018 470 G CA 0.023 45.146 45.100 0.039 0.000 0.728 470 G HN 0.716 nan 8.290 nan 0.000 0.508 471 D N 0.287 120.705 120.400 0.030 0.000 2.304 471 D HA 0.449 5.089 4.640 -0.000 0.000 0.247 471 D C 0.472 176.788 176.300 0.028 0.000 1.089 471 D CA -0.051 53.962 54.000 0.022 0.000 0.910 471 D CB 1.182 41.991 40.800 0.014 0.000 1.199 471 D HN 0.452 nan 8.370 nan 0.000 0.426 472 E N 1.818 122.029 120.200 0.018 0.000 2.174 472 E HA 0.433 4.782 4.350 -0.000 0.000 0.282 472 E C -0.723 175.882 176.600 0.009 0.000 0.992 472 E CA -0.462 55.945 56.400 0.012 0.000 0.803 472 E CB 0.572 30.275 29.700 0.004 0.000 1.090 472 E HN 0.329 nan 8.360 nan 0.000 0.396 473 L N 3.005 124.231 121.223 0.005 0.000 2.171 473 L HA 0.634 4.974 4.340 -0.000 0.000 0.253 473 L C -1.068 175.778 176.870 -0.040 0.000 1.054 473 L CA -1.453 53.383 54.840 -0.006 0.000 0.927 473 L CB 0.874 42.944 42.059 0.019 0.000 1.513 473 L HN 0.455 nan 8.230 nan 0.000 0.471 474 L N 0.386 121.569 121.223 -0.066 0.000 2.409 474 L HA 0.465 4.805 4.340 -0.000 0.000 0.272 474 L C -0.891 175.904 176.870 -0.124 0.000 0.980 474 L CA -0.313 54.477 54.840 -0.083 0.000 0.826 474 L CB 1.601 43.622 42.059 -0.063 0.000 1.268 474 L HN 0.673 nan 8.230 nan 0.000 0.407 475 C N 4.966 124.184 119.300 -0.137 0.000 2.289 475 C HA 0.300 4.760 4.460 -0.000 0.000 0.340 475 C C 1.526 176.450 174.990 -0.109 0.000 1.152 475 C CA -0.288 58.634 59.018 -0.160 0.000 1.650 475 C CB -0.993 26.616 27.740 -0.219 0.000 2.203 475 C HN 1.045 nan 8.230 nan 0.000 0.511 476 E N 2.436 122.583 120.200 -0.087 0.000 2.058 476 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 476 E C 0.594 177.163 176.600 -0.053 0.000 0.997 476 E CA 1.137 57.498 56.400 -0.065 0.000 0.801 476 E CB 0.217 29.880 29.700 -0.062 0.000 0.746 476 E HN 0.743 nan 8.360 nan 0.000 0.450 477 K N -1.229 119.159 120.400 -0.019 0.000 2.597 477 K HA 0.426 4.746 4.320 -0.000 0.000 0.282 477 K C -1.422 175.232 176.600 0.089 0.000 0.975 477 K CA -0.296 55.997 56.287 0.011 0.000 0.867 477 K CB 2.095 34.580 32.500 -0.024 0.000 1.465 477 K HN 0.102 nan 8.250 nan 0.000 0.417 478 G N 1.012 109.851 108.800 0.064 0.000 2.537 478 G HA2 0.642 4.602 3.960 -0.000 0.000 0.308 478 G HA3 0.642 4.602 3.960 -0.000 0.000 0.308 478 G C -1.494 173.467 174.900 0.101 0.000 1.237 478 G CA -0.558 44.589 45.100 0.079 0.000 0.968 478 G HN 0.683 nan 8.290 nan 0.000 0.481 479 E N -1.482 118.780 120.200 0.103 0.000 2.412 479 E HA 0.532 4.882 4.350 -0.000 0.000 0.279 479 E C -0.975 175.672 176.600 0.079 0.000 0.984 479 E CA -1.072 55.384 56.400 0.093 0.000 0.788 479 E CB 1.989 31.781 29.700 0.155 0.000 1.277 479 E HN 0.713 nan 8.360 nan 0.000 0.455 480 V N -0.158 119.789 119.914 0.056 0.000 2.465 480 V HA 0.583 4.703 4.120 -0.000 0.000 0.279 480 V C -0.257 175.891 176.094 0.090 0.000 1.045 480 V CA -0.628 61.710 62.300 0.064 0.000 0.938 480 V CB 1.166 32.984 31.823 -0.009 0.000 0.986 480 V HN 0.498 nan 8.190 nan 0.000 0.467 481 V N 4.030 124.016 119.914 0.121 0.000 2.347 481 V HA 0.390 4.510 4.120 -0.000 0.000 0.280 481 V C 0.164 176.321 176.094 0.106 0.000 1.021 481 V CA -0.328 62.023 62.300 0.085 0.000 0.847 481 V CB 1.077 32.924 31.823 0.040 0.000 0.990 481 V HN 1.072 nan 8.190 nan 0.000 0.444 482 E N 5.368 125.623 120.200 0.090 0.000 2.070 482 E HA 0.346 4.696 4.350 -0.000 0.000 0.282 482 E C -0.099 176.421 176.600 -0.133 0.000 1.104 482 E CA 0.018 56.467 56.400 0.082 0.000 0.876 482 E CB 0.332 30.099 29.700 0.111 0.000 1.055 482 E HN 0.563 nan 8.360 nan 0.000 0.401 483 R N 2.856 123.114 120.500 -0.404 0.000 2.892 483 R HA 0.490 4.830 4.340 -0.000 0.000 0.265 483 R C -0.848 175.136 176.300 -0.528 0.000 1.025 483 R CA -1.002 54.762 56.100 -0.560 0.000 0.982 483 R CB 1.928 31.660 30.300 -0.946 0.000 1.185 483 R HN 0.608 nan 8.270 nan 0.000 0.484 484 Q N -0.981 118.713 119.800 -0.177 0.000 2.386 484 Q HA 0.290 4.630 4.340 -0.000 0.000 0.274 484 Q C -1.198 174.985 176.000 0.305 0.000 1.011 484 Q CA -1.052 54.828 55.803 0.130 0.000 0.867 484 Q CB 1.693 30.459 28.738 0.045 0.000 1.409 484 Q HN 0.633 nan 8.270 nan 0.000 0.395 485 T N 0.647 115.411 114.554 0.350 0.000 2.930 485 T HA 0.227 4.577 4.350 -0.000 0.000 0.306 485 T C -0.041 174.868 174.700 0.350 0.000 1.045 485 T CA -0.563 61.733 62.100 0.326 0.000 1.134 485 T CB 0.711 69.736 68.868 0.262 0.000 0.961 485 T HN 0.548 nan 8.240 nan 0.000 0.545 486 Q N 2.397 122.292 119.800 0.158 0.000 2.235 486 Q HA 0.453 4.793 4.340 -0.000 0.000 0.256 486 Q C -2.487 173.095 176.000 -0.697 0.000 0.951 486 Q CA -2.409 53.324 55.803 -0.116 0.000 0.890 486 Q CB 1.162 29.837 28.738 -0.105 0.000 1.279 486 Q HN 0.560 nan 8.270 nan 0.000 0.444 487 P HA 0.331 nan 4.420 nan 0.000 0.281 487 P C -2.458 174.480 177.300 -0.602 0.000 1.249 487 P CA -1.422 60.945 63.100 -1.223 0.000 0.810 487 P CB -0.211 30.968 31.700 -0.869 0.000 1.008 488 P HA 0.231 nan 4.420 nan 0.000 0.272 488 P C -0.029 177.038 177.300 -0.389 0.000 1.230 488 P CA -0.305 62.582 63.100 -0.355 0.000 0.788 488 P CB 0.468 31.982 31.700 -0.311 0.000 0.949 489 R N 0.579 120.888 120.500 -0.318 0.000 2.549 489 R HA 0.376 4.716 4.340 -0.000 0.000 0.267 489 R C 0.071 176.140 176.300 -0.385 0.000 1.045 489 R CA -0.706 55.202 56.100 -0.321 0.000 1.115 489 R CB 0.279 30.497 30.300 -0.137 0.000 1.121 489 R HN 0.472 nan 8.270 nan 0.000 0.543 490 H N 0.774 119.677 119.070 -0.279 0.000 2.852 490 H HA 0.014 4.570 4.556 -0.000 0.000 0.362 490 H C 0.024 175.331 175.328 -0.035 0.000 1.122 490 H CA 0.412 56.327 56.048 -0.223 0.000 1.419 490 H CB 0.305 29.917 29.762 -0.249 0.000 1.401 490 H HN 0.357 nan 8.280 nan 0.000 0.609 491 F N 0.627 120.688 119.950 0.185 0.000 2.545 491 F HA 0.019 4.546 4.527 -0.000 0.000 0.348 491 F C 1.478 177.392 175.800 0.189 0.000 1.163 491 F CA 0.244 58.332 58.000 0.146 0.000 1.331 491 F CB 0.592 39.634 39.000 0.070 0.000 1.138 491 F HN 0.445 nan 8.300 nan 0.000 0.602 492 T N -2.398 112.344 114.554 0.313 0.000 2.940 492 T HA 0.229 4.579 4.350 -0.000 0.000 0.288 492 T C 0.667 175.452 174.700 0.142 0.000 1.045 492 T CA -0.925 61.257 62.100 0.135 0.000 1.018 492 T CB 1.512 70.357 68.868 -0.040 0.000 1.151 492 T HN 0.497 nan 8.240 nan 0.000 0.529 493 D N 0.490 120.939 120.400 0.081 0.000 2.172 493 D HA -0.190 4.450 4.640 -0.000 0.000 0.196 493 D C 2.185 178.510 176.300 0.041 0.000 0.999 493 D CA 1.860 55.894 54.000 0.056 0.000 0.856 493 D CB -0.349 40.450 40.800 -0.003 0.000 0.934 493 D HN 0.727 nan 8.370 nan 0.000 0.453 494 A N 0.450 123.292 122.820 0.037 0.000 1.855 494 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 494 A C 2.386 180.013 177.584 0.072 0.000 1.191 494 A CA 2.628 54.686 52.037 0.036 0.000 0.613 494 A CB -0.869 18.142 19.000 0.019 0.000 0.829 494 A HN 0.385 nan 8.150 nan 0.000 0.442 495 T N -2.532 112.104 114.554 0.138 0.000 3.043 495 T HA 0.003 4.353 4.350 -0.000 0.000 0.263 495 T C 1.713 176.581 174.700 0.281 0.000 1.094 495 T CA 1.136 63.376 62.100 0.232 0.000 1.127 495 T CB -0.281 68.757 68.868 0.284 0.000 0.905 495 T HN 0.132 nan 8.240 nan 0.000 0.490 496 L N 0.986 122.294 121.223 0.141 0.000 2.017 496 L HA 0.193 4.533 4.340 -0.000 0.000 0.208 496 L C 2.286 179.057 176.870 -0.165 0.000 1.073 496 L CA 1.470 56.155 54.840 -0.259 0.000 0.745 496 L CB -1.311 40.601 42.059 -0.246 0.000 0.894 496 L HN 0.323 nan 8.230 nan 0.000 0.432 497 L N -0.595 120.596 121.223 -0.053 0.000 2.012 497 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 497 L C 2.795 179.657 176.870 -0.014 0.000 1.073 497 L CA 2.298 57.116 54.840 -0.036 0.000 0.748 497 L CB -0.996 41.054 42.059 -0.015 0.000 0.891 497 L HN 0.594 nan 8.230 nan 0.000 0.431 498 S N -0.573 115.143 115.700 0.027 0.000 2.383 498 S HA -0.136 4.334 4.470 -0.000 0.000 0.227 498 S C 2.155 176.807 174.600 0.086 0.000 1.026 498 S CA 1.006 59.240 58.200 0.057 0.000 0.981 498 S CB -0.752 62.495 63.200 0.079 0.000 0.818 498 S HN 0.566 nan 8.310 nan 0.000 0.472 499 A N 2.087 124.966 122.820 0.099 0.000 1.883 499 A HA 0.010 4.330 4.320 -0.000 0.000 0.217 499 A C 2.421 180.024 177.584 0.033 0.000 1.186 499 A CA 1.786 53.905 52.037 0.136 0.000 0.624 499 A CB -0.856 18.157 19.000 0.022 0.000 0.822 499 A HN 0.631 nan 8.150 nan 0.000 0.444 500 M N -0.886 118.671 119.600 -0.071 0.000 2.082 500 M HA -0.170 4.310 4.480 -0.000 0.000 0.258 500 M C 2.318 178.614 176.300 -0.006 0.000 1.069 500 M CA 2.206 57.466 55.300 -0.067 0.000 1.102 500 M CB -0.853 31.699 32.600 -0.079 0.000 1.336 500 M HN 0.477 nan 8.290 nan 0.000 0.404 501 T N -0.211 114.350 114.554 0.011 0.000 2.708 501 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 501 T C 1.405 176.134 174.700 0.049 0.000 1.037 501 T CA 1.587 63.701 62.100 0.024 0.000 1.146 501 T CB -0.576 68.305 68.868 0.021 0.000 0.865 501 T HN 0.606 nan 8.240 nan 0.000 0.435 502 G N 0.262 109.111 108.800 0.081 0.000 3.678 502 G HA2 0.299 4.259 3.960 -0.000 0.000 0.287 502 G HA3 0.299 4.259 3.960 -0.000 0.000 0.287 502 G C 1.020 176.021 174.900 0.168 0.000 1.280 502 G CA -0.395 44.764 45.100 0.098 0.000 1.118 502 G HN 0.472 nan 8.290 nan 0.000 0.563 503 I N 0.510 121.174 120.570 0.157 0.000 2.493 503 I HA -0.103 4.067 4.170 -0.000 0.000 0.254 503 I C 2.785 179.045 176.117 0.237 0.000 1.160 503 I CA 1.068 62.511 61.300 0.238 0.000 1.445 503 I CB 0.292 38.340 38.000 0.080 0.000 1.086 503 I HN 0.296 nan 8.210 nan 0.000 0.433 504 A N 0.676 123.562 122.820 0.110 0.000 2.042 504 A HA -0.266 4.054 4.320 -0.000 0.000 0.222 504 A C 2.257 179.854 177.584 0.022 0.000 1.167 504 A CA 1.662 53.731 52.037 0.053 0.000 0.649 504 A CB -0.694 18.318 19.000 0.020 0.000 0.809 504 A HN 0.473 nan 8.150 nan 0.000 0.457 505 R N -2.050 118.439 120.500 -0.018 0.000 2.316 505 R HA 0.015 4.355 4.340 -0.000 0.000 0.202 505 R C 0.457 176.533 176.300 -0.374 0.000 1.029 505 R CA 0.849 56.819 56.100 -0.217 0.000 1.018 505 R CB -0.211 29.887 30.300 -0.337 0.000 0.888 505 R HN 0.631 nan 8.270 nan 0.000 0.471 506 F N -0.249 119.702 119.950 0.002 0.000 2.678 506 F HA 0.103 4.630 4.527 -0.000 0.000 0.305 506 F C 0.633 176.431 175.800 -0.003 0.000 1.090 506 F CA -0.565 57.438 58.000 0.006 0.000 1.272 506 F CB 0.706 39.715 39.000 0.015 0.000 1.060 506 F HN -0.251 nan 8.300 nan 0.000 0.576 507 V N -1.339 118.639 119.914 0.107 0.000 2.547 507 V HA 0.419 4.539 4.120 -0.000 0.000 0.299 507 V C 0.819 176.923 176.094 0.017 0.000 1.040 507 V CA -0.840 61.493 62.300 0.054 0.000 0.913 507 V CB 1.692 33.529 31.823 0.023 0.000 0.992 507 V HN 0.113 nan 8.190 nan 0.000 0.449 508 Q N 2.480 122.290 119.800 0.016 0.000 1.942 508 Q HA -0.121 4.219 4.340 -0.000 0.000 0.203 508 Q C 1.093 177.091 176.000 -0.003 0.000 0.987 508 Q CA 1.961 57.768 55.803 0.006 0.000 0.844 508 Q CB -0.413 28.332 28.738 0.013 0.000 0.911 508 Q HN 0.947 nan 8.270 nan 0.000 0.423 509 D N -0.094 120.305 120.400 -0.001 0.000 2.525 509 D HA -0.092 4.548 4.640 -0.000 0.000 0.235 509 D C 0.398 176.691 176.300 -0.012 0.000 1.137 509 D CA 0.352 54.350 54.000 -0.003 0.000 0.868 509 D CB 0.727 41.526 40.800 -0.002 0.000 1.180 509 D HN 0.256 nan 8.370 nan 0.000 0.465 510 K N 2.671 123.066 120.400 -0.009 0.000 2.167 510 K HA -0.069 4.250 4.320 -0.000 0.000 0.203 510 K C 1.134 177.726 176.600 -0.012 0.000 1.052 510 K CA 0.607 56.886 56.287 -0.012 0.000 0.956 510 K CB 0.229 32.722 32.500 -0.011 0.000 0.735 510 K HN 0.506 nan 8.250 nan 0.000 0.451 511 D N 1.183 121.578 120.400 -0.008 0.000 2.144 511 D HA -0.098 4.542 4.640 -0.000 0.000 0.200 511 D C 2.045 178.331 176.300 -0.024 0.000 0.978 511 D CA 0.843 54.839 54.000 -0.007 0.000 0.833 511 D CB 0.019 40.824 40.800 0.009 0.000 0.961 511 D HN 0.149 nan 8.370 nan 0.000 0.470 512 L N 0.584 121.780 121.223 -0.045 0.000 2.131 512 L HA -0.072 4.268 4.340 -0.000 0.000 0.206 512 L C 2.448 179.288 176.870 -0.050 0.000 1.087 512 L CA 0.758 55.549 54.840 -0.081 0.000 0.767 512 L CB -0.275 41.704 42.059 -0.133 0.000 0.917 512 L HN -0.102 nan 8.230 nan 0.000 0.441 513 K N 0.616 120.997 120.400 -0.031 0.000 2.044 513 K HA -0.265 4.055 4.320 -0.000 0.000 0.210 513 K C 2.206 178.798 176.600 -0.014 0.000 1.049 513 K CA 1.740 58.016 56.287 -0.019 0.000 0.927 513 K CB -0.100 32.388 32.500 -0.019 0.000 0.713 513 K HN 0.136 nan 8.250 nan 0.000 0.443 514 K N 0.784 121.176 120.400 -0.014 0.000 2.155 514 K HA -0.080 4.240 4.320 -0.000 0.000 0.203 514 K C 1.920 178.516 176.600 -0.006 0.000 1.052 514 K CA 0.905 57.187 56.287 -0.009 0.000 0.948 514 K CB 0.067 32.562 32.500 -0.010 0.000 0.728 514 K HN 0.062 nan 8.250 nan 0.000 0.448 515 I N 0.862 121.425 120.570 -0.011 0.000 2.233 515 I HA -0.243 3.927 4.170 -0.000 0.000 0.243 515 I C 1.844 177.960 176.117 -0.002 0.000 1.093 515 I CA 0.979 62.274 61.300 -0.008 0.000 1.380 515 I CB 0.007 37.997 38.000 -0.016 0.000 1.067 515 I HN 0.106 nan 8.210 nan 0.000 0.413 516 L N -0.134 121.084 121.223 -0.009 0.000 2.478 516 L HA -0.063 4.277 4.340 -0.000 0.000 0.223 516 L C 2.466 179.344 176.870 0.013 0.000 1.140 516 L CA 0.688 55.527 54.840 -0.000 0.000 0.842 516 L CB -0.348 41.708 42.059 -0.005 0.000 0.953 516 L HN 0.122 nan 8.230 nan 0.000 0.452 517 R N -0.251 120.257 120.500 0.013 0.000 2.100 517 R HA 0.040 4.380 4.340 -0.000 0.000 0.220 517 R C 2.413 178.731 176.300 0.031 0.000 1.091 517 R CA 1.001 57.113 56.100 0.021 0.000 0.986 517 R CB -0.138 30.171 30.300 0.014 0.000 0.888 517 R HN 0.285 nan 8.270 nan 0.000 0.444 518 A N 0.016 122.852 122.820 0.026 0.000 1.969 518 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 518 A C 1.912 179.521 177.584 0.042 0.000 1.169 518 A CA 1.870 53.926 52.037 0.031 0.000 0.635 518 A CB -0.604 18.404 19.000 0.013 0.000 0.810 518 A HN 0.490 nan 8.150 nan 0.000 0.445 519 T N -4.274 110.301 114.554 0.036 0.000 3.107 519 T HA 0.215 4.565 4.350 -0.000 0.000 0.249 519 T C 0.404 175.130 174.700 0.045 0.000 1.096 519 T CA 0.761 62.888 62.100 0.044 0.000 1.012 519 T CB -0.226 68.663 68.868 0.035 0.000 0.977 519 T HN 0.415 nan 8.240 nan 0.000 0.527 520 D N 0.588 121.013 120.400 0.042 0.000 2.837 520 D HA -0.032 4.608 4.640 -0.000 0.000 0.230 520 D C 0.670 176.986 176.300 0.028 0.000 1.152 520 D CA 1.728 55.751 54.000 0.038 0.000 0.736 520 D CB -1.313 39.514 40.800 0.045 0.000 1.084 520 D HN 1.139 nan 8.370 nan 0.000 0.429 521 G N -1.823 106.991 108.800 0.024 0.000 2.396 521 G HA2 0.034 3.994 3.960 -0.000 0.000 0.254 521 G HA3 0.034 3.994 3.960 -0.000 0.000 0.254 521 G C -1.121 173.780 174.900 0.002 0.000 1.248 521 G CA -0.482 44.627 45.100 0.016 0.000 1.033 521 G HN 0.772 nan 8.290 nan 0.000 0.502 522 L N 1.623 122.838 121.223 -0.013 0.000 2.275 522 L HA 0.694 5.034 4.340 -0.000 0.000 0.288 522 L C 0.997 177.855 176.870 -0.022 0.000 1.046 522 L CA 1.755 56.577 54.840 -0.029 0.000 0.805 522 L CB 0.848 42.875 42.059 -0.054 0.000 1.193 522 L HN 2.820 nan 8.230 nan 0.000 0.426 523 G N 2.490 111.283 108.800 -0.012 0.000 2.787 523 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.685 523 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.685 523 G C -0.200 174.707 174.900 0.011 0.000 1.437 523 G CA -0.385 44.717 45.100 0.003 0.000 0.872 523 G HN 1.182 nan 8.290 nan 0.000 0.566 524 T N -1.371 113.195 114.554 0.021 0.000 2.901 524 T HA 0.483 4.833 4.350 -0.000 0.000 0.301 524 T C 1.325 176.023 174.700 -0.004 0.000 1.012 524 T CA 0.726 62.836 62.100 0.016 0.000 1.135 524 T CB 1.481 70.365 68.868 0.028 0.000 0.936 524 T HN 0.664 nan 8.240 nan 0.000 0.539 525 E N 2.136 122.325 120.200 -0.019 0.000 2.110 525 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 525 E C 2.404 178.976 176.600 -0.047 0.000 0.988 525 E CA 1.149 57.528 56.400 -0.035 0.000 0.804 525 E CB -0.371 29.302 29.700 -0.046 0.000 0.745 525 E HN 0.907 nan 8.360 nan 0.000 0.458 526 A N 1.340 124.126 122.820 -0.056 0.000 2.070 526 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 526 A C 2.201 179.768 177.584 -0.028 0.000 1.159 526 A CA 1.858 53.860 52.037 -0.057 0.000 0.656 526 A CB -0.457 18.504 19.000 -0.065 0.000 0.800 526 A HN 0.347 nan 8.150 nan 0.000 0.453 527 T N -4.397 110.150 114.554 -0.012 0.000 3.040 527 T HA 0.218 4.568 4.350 -0.000 0.000 0.266 527 T C 1.507 176.209 174.700 0.003 0.000 1.005 527 T CA -0.044 62.059 62.100 0.004 0.000 0.906 527 T CB 0.010 68.891 68.868 0.022 0.000 1.082 527 T HN 0.437 nan 8.240 nan 0.000 0.531 528 R N 1.429 121.924 120.500 -0.007 0.000 2.127 528 R HA 0.085 4.425 4.340 -0.000 0.000 0.238 528 R C 2.707 179.004 176.300 -0.006 0.000 1.134 528 R CA 1.438 57.532 56.100 -0.010 0.000 0.975 528 R CB -0.503 29.785 30.300 -0.020 0.000 0.865 528 R HN 0.491 nan 8.270 nan 0.000 0.447 529 A N 0.604 123.420 122.820 -0.008 0.000 1.969 529 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 529 A C 2.341 179.932 177.584 0.012 0.000 1.169 529 A CA 1.531 53.567 52.037 -0.003 0.000 0.635 529 A CB -0.783 18.208 19.000 -0.015 0.000 0.810 529 A HN 0.453 nan 8.150 nan 0.000 0.445 530 G N 0.025 108.832 108.800 0.012 0.000 2.408 530 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.217 530 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.217 530 G C 1.400 176.322 174.900 0.038 0.000 1.150 530 G CA 0.952 46.066 45.100 0.023 0.000 0.776 530 G HN 0.342 nan 8.290 nan 0.000 0.542 531 I N 1.212 121.802 120.570 0.033 0.000 2.151 531 I HA -0.166 4.004 4.170 -0.000 0.000 0.243 531 I C 2.805 178.957 176.117 0.058 0.000 1.080 531 I CA 1.164 62.487 61.300 0.038 0.000 1.339 531 I CB -0.886 37.126 38.000 0.019 0.000 1.039 531 I HN 0.192 nan 8.210 nan 0.000 0.409 532 I N 0.506 121.116 120.570 0.067 0.000 2.179 532 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 532 I C 2.582 178.856 176.117 0.263 0.000 1.088 532 I CA 1.340 62.722 61.300 0.136 0.000 1.357 532 I CB -0.419 37.658 38.000 0.129 0.000 1.051 532 I HN 0.188 nan 8.210 nan 0.000 0.409 533 E N 1.619 121.921 120.200 0.170 0.000 2.097 533 E HA -0.269 4.081 4.350 -0.000 0.000 0.196 533 E C 2.105 178.805 176.600 0.166 0.000 1.000 533 E CA 1.570 58.061 56.400 0.151 0.000 0.804 533 E CB -0.483 29.244 29.700 0.044 0.000 0.740 533 E HN 0.509 nan 8.360 nan 0.000 0.454 534 L N -0.374 120.910 121.223 0.101 0.000 2.046 534 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 534 L C 2.308 179.190 176.870 0.021 0.000 1.077 534 L CA 1.192 56.063 54.840 0.052 0.000 0.747 534 L CB -0.163 41.919 42.059 0.038 0.000 0.896 534 L HN 0.218 nan 8.230 nan 0.000 0.432 535 L N -1.187 120.065 121.223 0.048 0.000 2.131 535 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 535 L C 2.373 179.174 176.870 -0.115 0.000 1.092 535 L CA 1.218 56.045 54.840 -0.022 0.000 0.759 535 L CB -0.553 41.513 42.059 0.012 0.000 0.903 535 L HN 0.204 nan 8.230 nan 0.000 0.435 536 F N 0.371 120.307 119.950 -0.022 0.000 2.102 536 F HA -0.244 4.283 4.527 -0.000 0.000 0.298 536 F C 2.668 178.431 175.800 -0.062 0.000 1.105 536 F CA 1.603 59.590 58.000 -0.022 0.000 1.239 536 F CB -0.288 38.708 39.000 -0.008 0.000 0.991 536 F HN -0.063 nan 8.300 nan 0.000 0.474 537 K N 0.070 120.532 120.400 0.104 0.000 2.209 537 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 537 K C 1.984 178.521 176.600 -0.105 0.000 1.048 537 K CA 0.948 57.240 56.287 0.008 0.000 0.940 537 K CB 0.070 32.571 32.500 0.002 0.000 0.729 537 K HN 0.035 nan 8.250 nan 0.000 0.451 538 R N -0.765 119.581 120.500 -0.257 0.000 2.275 538 R HA 0.030 4.370 4.340 -0.000 0.000 0.199 538 R C 0.951 176.948 176.300 -0.505 0.000 0.989 538 R CA 0.904 56.669 56.100 -0.558 0.000 1.016 538 R CB 0.211 29.777 30.300 -1.224 0.000 0.918 538 R HN 0.481 nan 8.270 nan 0.000 0.473 539 G N 0.731 109.390 108.800 -0.236 0.000 2.160 539 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.244 539 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.244 539 G C 0.584 175.551 174.900 0.112 0.000 1.022 539 G CA 0.177 45.258 45.100 -0.031 0.000 0.741 539 G HN 0.440 nan 8.290 nan 0.000 0.508 540 F N -0.638 119.287 119.950 -0.042 0.000 2.530 540 F HA 0.410 4.937 4.527 -0.000 0.000 0.292 540 F C 1.468 177.164 175.800 -0.174 0.000 1.109 540 F CA -0.043 57.908 58.000 -0.082 0.000 1.450 540 F CB 0.252 39.206 39.000 -0.076 0.000 1.114 540 F HN 0.071 nan 8.300 nan 0.000 0.560 541 L N -0.489 120.631 121.223 -0.170 0.000 2.341 541 L HA 0.606 4.946 4.340 -0.000 0.000 0.267 541 L C -0.324 176.281 176.870 -0.441 0.000 1.009 541 L CA -0.537 54.025 54.840 -0.464 0.000 0.819 541 L CB 2.275 43.735 42.059 -0.999 0.000 1.323 541 L HN -0.313 nan 8.230 nan 0.000 0.425 542 T N 0.425 114.868 114.554 -0.186 0.000 2.868 542 T HA 0.402 4.752 4.350 -0.000 0.000 0.306 542 T C -1.383 173.495 174.700 0.296 0.000 1.224 542 T CA -0.655 61.528 62.100 0.139 0.000 1.012 542 T CB 1.902 70.824 68.868 0.089 0.000 1.221 542 T HN 0.472 nan 8.240 nan 0.000 0.499 543 K N 2.589 123.193 120.400 0.339 0.000 2.235 543 K HA 0.418 4.738 4.320 -0.000 0.000 0.266 543 K C 0.772 177.443 176.600 0.119 0.000 0.980 543 K CA -0.679 55.764 56.287 0.260 0.000 0.849 543 K CB 1.656 34.280 32.500 0.206 0.000 1.098 543 K HN 0.472 nan 8.250 nan 0.000 0.445 544 K N 1.604 122.062 120.400 0.097 0.000 1.997 544 K HA 0.014 4.334 4.320 -0.000 0.000 0.212 544 K C 1.226 177.868 176.600 0.070 0.000 1.033 544 K CA 1.408 57.695 56.287 -0.000 0.000 0.950 544 K CB -0.031 32.405 32.500 -0.105 0.000 0.751 544 K HN 0.728 nan 8.250 nan 0.000 0.444 545 G N 0.289 109.177 108.800 0.147 0.000 2.601 545 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.214 545 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.214 545 G C 0.872 175.816 174.900 0.073 0.000 2.067 545 G CA 0.083 45.253 45.100 0.117 0.000 0.774 545 G HN 0.415 nan 8.290 nan 0.000 0.729 546 R N -0.648 119.863 120.500 0.017 0.000 2.362 546 R HA 0.321 4.661 4.340 -0.000 0.000 0.227 546 R C -0.604 175.601 176.300 -0.157 0.000 0.905 546 R CA -0.353 55.678 56.100 -0.115 0.000 1.067 546 R CB -0.212 29.957 30.300 -0.218 0.000 1.078 546 R HN 0.359 nan 8.270 nan 0.000 0.516 547 Y N 1.041 121.414 120.300 0.122 0.000 2.352 547 Y HA 0.432 4.982 4.550 -0.000 0.000 0.326 547 Y C 0.388 176.422 175.900 0.223 0.000 1.166 547 Y CA -1.040 57.155 58.100 0.157 0.000 1.182 547 Y CB 1.509 40.056 38.460 0.145 0.000 1.216 547 Y HN -0.121 nan 8.280 nan 0.000 0.474 548 I N 3.885 124.683 120.570 0.380 0.000 2.321 548 I HA 0.251 4.421 4.170 -0.000 0.000 0.291 548 I C -0.374 175.844 176.117 0.168 0.000 0.998 548 I CA -0.392 61.104 61.300 0.326 0.000 1.227 548 I CB 0.563 38.754 38.000 0.317 0.000 1.368 548 I HN 0.556 nan 8.210 nan 0.000 0.466 549 H N 3.766 122.849 119.070 0.021 0.000 2.524 549 H HA 0.333 4.889 4.556 -0.000 0.000 0.353 549 H C -0.293 175.011 175.328 -0.039 0.000 1.136 549 H CA -0.811 55.217 56.048 -0.034 0.000 1.193 549 H CB 2.269 31.969 29.762 -0.103 0.000 1.558 549 H HN 0.563 nan 8.280 nan 0.000 0.515 550 S N 1.633 117.372 115.700 0.065 0.000 2.545 550 S HA 0.145 4.615 4.470 -0.000 0.000 0.275 550 S C 0.745 175.368 174.600 0.038 0.000 1.299 550 S CA -0.905 57.297 58.200 0.003 0.000 1.048 550 S CB 1.025 64.188 63.200 -0.062 0.000 0.938 550 S HN 0.697 nan 8.310 nan 0.000 0.496 551 T N 0.134 114.711 114.554 0.039 0.000 2.754 551 T HA 0.237 4.587 4.350 -0.000 0.000 0.286 551 T C 0.560 175.290 174.700 0.051 0.000 0.997 551 T CA -0.467 61.669 62.100 0.060 0.000 0.982 551 T CB 0.156 69.078 68.868 0.090 0.000 1.027 551 T HN 0.506 nan 8.240 nan 0.000 0.529 552 D N 0.715 121.151 120.400 0.059 0.000 2.158 552 D HA -0.113 4.527 4.640 -0.000 0.000 0.197 552 D C 2.303 178.623 176.300 0.033 0.000 0.995 552 D CA 1.783 55.813 54.000 0.051 0.000 0.846 552 D CB -0.757 40.077 40.800 0.057 0.000 0.941 552 D HN 0.736 nan 8.370 nan 0.000 0.456 553 A N 0.721 123.573 122.820 0.053 0.000 1.898 553 A HA 0.019 4.339 4.320 -0.000 0.000 0.216 553 A C 2.405 179.929 177.584 -0.100 0.000 1.181 553 A CA 2.015 54.052 52.037 -0.001 0.000 0.620 553 A CB -1.033 18.043 19.000 0.127 0.000 0.819 553 A HN 0.301 nan 8.150 nan 0.000 0.442 554 G N -0.144 108.621 108.800 -0.059 0.000 2.421 554 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 554 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 554 G C 1.662 176.438 174.900 -0.207 0.000 1.171 554 G CA 1.165 46.104 45.100 -0.269 0.000 0.775 554 G HN 0.565 nan 8.290 nan 0.000 0.543 555 K N 0.563 120.905 120.400 -0.097 0.000 2.074 555 K HA -0.052 4.268 4.320 -0.000 0.000 0.209 555 K C 2.871 179.500 176.600 0.049 0.000 1.048 555 K CA 1.278 57.539 56.287 -0.044 0.000 0.926 555 K CB -0.229 32.305 32.500 0.057 0.000 0.713 555 K HN 0.293 nan 8.250 nan 0.000 0.444 556 A N 0.904 123.736 122.820 0.020 0.000 1.968 556 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 556 A C 2.039 179.600 177.584 -0.039 0.000 1.169 556 A CA 0.778 52.816 52.037 0.003 0.000 0.638 556 A CB -0.375 18.604 19.000 -0.035 0.000 0.812 556 A HN 0.221 nan 8.150 nan 0.000 0.446 557 L N -1.111 120.076 121.223 -0.060 0.000 1.994 557 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 557 L C 2.191 178.975 176.870 -0.143 0.000 1.071 557 L CA 2.438 57.231 54.840 -0.078 0.000 0.745 557 L CB -0.941 40.888 42.059 -0.384 0.000 0.892 557 L HN 0.442 nan 8.230 nan 0.000 0.431 558 F N -0.059 119.693 119.950 -0.330 0.000 2.087 558 F HA -0.330 4.197 4.527 -0.000 0.000 0.299 558 F C 2.524 178.117 175.800 -0.345 0.000 1.100 558 F CA 2.278 60.056 58.000 -0.370 0.000 1.226 558 F CB -0.438 38.283 39.000 -0.464 0.000 0.983 558 F HN 0.317 nan 8.300 nan 0.000 0.479 559 H N -0.777 118.251 119.070 -0.071 0.000 2.495 559 H HA -0.004 4.552 4.556 -0.000 0.000 0.287 559 H C 2.497 177.691 175.328 -0.224 0.000 1.033 559 H CA 1.305 57.252 56.048 -0.169 0.000 1.307 559 H CB -0.579 29.163 29.762 -0.033 0.000 1.401 559 H HN 0.405 nan 8.280 nan 0.000 0.555 560 S N 0.032 115.663 115.700 -0.115 0.000 2.528 560 S HA 0.090 4.560 4.470 -0.000 0.000 0.219 560 S C 0.862 175.443 174.600 -0.032 0.000 0.985 560 S CA -0.188 57.970 58.200 -0.070 0.000 0.914 560 S CB -0.186 62.989 63.200 -0.042 0.000 0.776 560 S HN 0.059 nan 8.310 nan 0.000 0.526 561 L N 2.728 123.825 121.223 -0.210 0.000 2.343 561 L HA 0.524 4.864 4.340 -0.000 0.000 0.275 561 L C -2.064 174.675 176.870 -0.219 0.000 1.056 561 L CA -2.612 52.066 54.840 -0.269 0.000 0.804 561 L CB 0.909 42.721 42.059 -0.411 0.000 1.203 561 L HN 0.054 nan 8.230 nan 0.000 0.440 562 P HA 0.006 nan 4.420 nan 0.000 0.270 562 P C 0.187 177.407 177.300 -0.133 0.000 1.223 562 P CA -0.241 62.805 63.100 -0.090 0.000 0.785 562 P CB 0.877 32.569 31.700 -0.014 0.000 0.923 563 E N 0.459 120.596 120.200 -0.105 0.000 2.130 563 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 563 E C 1.795 178.355 176.600 -0.067 0.000 0.998 563 E CA 1.079 57.420 56.400 -0.098 0.000 0.806 563 E CB -0.166 29.504 29.700 -0.049 0.000 0.738 563 E HN 0.415 nan 8.360 nan 0.000 0.459 564 M N -0.232 119.347 119.600 -0.035 0.000 2.267 564 M HA -0.168 4.312 4.480 -0.000 0.000 0.263 564 M C 1.916 178.197 176.300 -0.033 0.000 1.063 564 M CA 1.699 56.989 55.300 -0.016 0.000 1.090 564 M CB 0.030 32.640 32.600 0.018 0.000 1.392 564 M HN 0.148 nan 8.290 nan 0.000 0.422 565 A N -0.715 122.088 122.820 -0.028 0.000 2.081 565 A HA -0.014 4.306 4.320 -0.000 0.000 0.214 565 A C 1.795 179.345 177.584 -0.057 0.000 1.158 565 A CA 1.267 53.304 52.037 0.001 0.000 0.724 565 A CB -0.606 18.396 19.000 0.003 0.000 0.826 565 A HN 0.637 nan 8.150 nan 0.000 0.463 566 T N -2.835 111.662 114.554 -0.095 0.000 3.105 566 T HA 0.390 4.740 4.350 -0.000 0.000 0.253 566 T C 0.537 175.230 174.700 -0.012 0.000 1.047 566 T CA -0.415 61.651 62.100 -0.057 0.000 0.944 566 T CB -0.069 68.724 68.868 -0.125 0.000 1.016 566 T HN 0.328 nan 8.240 nan 0.000 0.544 567 R N 0.851 121.325 120.500 -0.042 0.000 2.807 567 R HA 0.440 4.780 4.340 -0.000 0.000 0.276 567 R C -2.563 173.694 176.300 -0.072 0.000 0.979 567 R CA -2.259 53.821 56.100 -0.034 0.000 0.928 567 R CB 1.512 31.806 30.300 -0.011 0.000 1.191 567 R HN -0.125 nan 8.270 nan 0.000 0.471 568 P HA 0.047 nan 4.420 nan 0.000 0.245 568 P C -0.265 176.964 177.300 -0.118 0.000 1.212 568 P CA 0.472 63.514 63.100 -0.097 0.000 0.774 568 P CB 0.307 31.971 31.700 -0.060 0.000 0.999 569 D N -0.348 119.996 120.400 -0.093 0.000 2.106 569 D HA -0.209 4.431 4.640 -0.000 0.000 0.191 569 D C 1.819 178.036 176.300 -0.138 0.000 0.997 569 D CA 1.262 55.198 54.000 -0.107 0.000 0.834 569 D CB -0.717 40.071 40.800 -0.021 0.000 0.956 569 D HN 0.125 nan 8.370 nan 0.000 0.448 570 M N 0.183 119.707 119.600 -0.127 0.000 2.106 570 M HA -0.217 4.263 4.480 -0.000 0.000 0.259 570 M C 1.846 177.901 176.300 -0.408 0.000 1.068 570 M CA 1.532 56.699 55.300 -0.222 0.000 1.100 570 M CB -0.147 32.176 32.600 -0.461 0.000 1.351 570 M HN -0.028 nan 8.290 nan 0.000 0.404 571 T N 0.750 115.060 114.554 -0.407 0.000 2.746 571 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 571 T C 1.744 176.386 174.700 -0.096 0.000 1.039 571 T CA 1.476 63.396 62.100 -0.300 0.000 1.142 571 T CB -0.498 68.236 68.868 -0.223 0.000 0.866 571 T HN 0.616 nan 8.240 nan 0.000 0.444 572 A N 1.798 124.541 122.820 -0.128 0.000 1.873 572 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 572 A C 2.101 179.656 177.584 -0.048 0.000 1.193 572 A CA 1.839 53.803 52.037 -0.122 0.000 0.629 572 A CB -1.005 17.856 19.000 -0.231 0.000 0.826 572 A HN 0.565 nan 8.150 nan 0.000 0.447 573 H N -2.154 116.975 119.070 0.099 0.000 2.353 573 H HA -0.179 4.377 4.556 -0.000 0.000 0.300 573 H C 2.051 177.597 175.328 0.363 0.000 1.090 573 H CA 1.714 57.882 56.048 0.200 0.000 1.327 573 H CB -0.392 29.497 29.762 0.211 0.000 1.383 573 H HN 0.733 nan 8.280 nan 0.000 0.508 574 W N 1.756 123.189 121.300 0.221 0.000 2.379 574 W HA -0.077 4.583 4.660 -0.000 0.000 0.307 574 W C 2.450 179.015 176.519 0.077 0.000 1.200 574 W CA 0.410 57.915 57.345 0.266 0.000 1.297 574 W CB -0.679 28.932 29.460 0.253 0.000 1.140 574 W HN 0.162 nan 8.180 nan 0.000 0.507 575 E N -0.137 120.233 120.200 0.284 0.000 2.110 575 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 575 E C 2.222 178.870 176.600 0.081 0.000 0.988 575 E CA 1.645 58.120 56.400 0.125 0.000 0.804 575 E CB -0.935 28.815 29.700 0.083 0.000 0.745 575 E HN 0.222 nan 8.360 nan 0.000 0.458 576 S N 0.453 116.221 115.700 0.112 0.000 2.356 576 S HA -0.121 4.349 4.470 -0.000 0.000 0.223 576 S C 2.188 176.834 174.600 0.077 0.000 1.032 576 S CA 1.448 59.701 58.200 0.088 0.000 1.005 576 S CB -0.149 63.118 63.200 0.111 0.000 0.867 576 S HN 0.077 nan 8.310 nan 0.000 0.449 577 V N 2.143 122.125 119.914 0.115 0.000 2.358 577 V HA -0.076 4.044 4.120 -0.000 0.000 0.246 577 V C 2.492 178.544 176.094 -0.070 0.000 1.047 577 V CA 1.665 64.011 62.300 0.077 0.000 1.035 577 V CB -0.841 31.122 31.823 0.233 0.000 0.658 577 V HN 0.461 nan 8.190 nan 0.000 0.452 578 L N -0.103 121.015 121.223 -0.175 0.000 2.079 578 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 578 L C 2.653 179.465 176.870 -0.096 0.000 1.081 578 L CA 1.945 56.643 54.840 -0.237 0.000 0.752 578 L CB -1.084 40.828 42.059 -0.245 0.000 0.896 578 L HN 0.337 nan 8.230 nan 0.000 0.433 579 T N -0.972 113.559 114.554 -0.039 0.000 2.746 579 T HA -0.238 4.112 4.350 -0.000 0.000 0.267 579 T C 1.913 176.609 174.700 -0.008 0.000 1.039 579 T CA 1.330 63.420 62.100 -0.016 0.000 1.142 579 T CB -0.169 68.699 68.868 -0.000 0.000 0.866 579 T HN 0.391 nan 8.240 nan 0.000 0.444 580 Q N 0.103 119.905 119.800 0.004 0.000 2.084 580 Q HA -0.034 4.306 4.340 -0.000 0.000 0.202 580 Q C 2.353 178.378 176.000 0.041 0.000 0.978 580 Q CA 1.221 57.038 55.803 0.022 0.000 0.844 580 Q CB -0.369 28.390 28.738 0.034 0.000 0.898 580 Q HN 0.525 nan 8.270 nan 0.000 0.426 581 I N 0.700 121.287 120.570 0.030 0.000 2.142 581 I HA -0.260 3.910 4.170 -0.000 0.000 0.240 581 I C 2.238 178.389 176.117 0.056 0.000 1.078 581 I CA 1.403 62.755 61.300 0.086 0.000 1.343 581 I CB -0.340 37.668 38.000 0.013 0.000 1.046 581 I HN 0.176 nan 8.210 nan 0.000 0.405 582 S N -0.254 115.435 115.700 -0.018 0.000 2.727 582 S HA -0.013 4.457 4.470 -0.000 0.000 0.226 582 S C 0.992 175.579 174.600 -0.022 0.000 0.963 582 S CA 0.505 58.678 58.200 -0.044 0.000 0.950 582 S CB -0.440 62.731 63.200 -0.047 0.000 0.779 582 S HN 0.521 nan 8.310 nan 0.000 0.532 583 E N 0.352 120.563 120.200 0.019 0.000 2.714 583 E HA 0.250 4.600 4.350 -0.000 0.000 0.219 583 E C -0.273 176.360 176.600 0.056 0.000 0.979 583 E CA -0.358 56.052 56.400 0.016 0.000 1.092 583 E CB 0.259 29.960 29.700 0.001 0.000 1.049 583 E HN 0.421 nan 8.360 nan 0.000 0.487 584 K N -0.315 120.167 120.400 0.137 0.000 3.472 584 K HA -0.311 4.009 4.320 -0.000 0.000 0.315 584 K C 1.107 177.744 176.600 0.062 0.000 1.320 584 K CA 1.029 57.417 56.287 0.169 0.000 0.962 584 K CB -1.146 31.427 32.500 0.122 0.000 1.251 584 K HN 0.166 nan 8.250 nan 0.000 0.443 585 Q N -0.397 119.436 119.800 0.055 0.000 2.245 585 Q HA 0.000 4.340 4.340 -0.000 0.000 0.201 585 Q C 1.075 177.082 176.000 0.011 0.000 0.955 585 Q CA 1.284 57.099 55.803 0.022 0.000 0.870 585 Q CB 0.478 29.228 28.738 0.021 0.000 0.945 585 Q HN 0.596 nan 8.270 nan 0.000 0.461 586 C N -0.928 118.394 119.300 0.035 0.000 3.173 586 C HA 0.651 5.111 4.460 -0.000 0.000 0.310 586 C C -0.873 174.152 174.990 0.058 0.000 1.306 586 C CA -1.289 57.742 59.018 0.022 0.000 1.426 586 C CB 1.614 29.377 27.740 0.039 0.000 1.800 586 C HN 0.235 nan 8.230 nan 0.000 0.470 587 R N 0.856 121.366 120.500 0.016 0.000 2.546 587 R HA 0.318 4.658 4.340 -0.000 0.000 0.266 587 R C 0.769 177.201 176.300 0.220 0.000 1.086 587 R CA -0.299 55.843 56.100 0.070 0.000 1.160 587 R CB 0.426 30.693 30.300 -0.055 0.000 1.138 587 R HN 0.867 nan 8.270 nan 0.000 0.567 588 Y N 1.122 121.543 120.300 0.202 0.000 2.114 588 Y HA -0.313 4.237 4.550 -0.000 0.000 0.282 588 Y C 1.926 177.937 175.900 0.185 0.000 1.165 588 Y CA 1.816 60.033 58.100 0.196 0.000 1.148 588 Y CB 0.152 38.729 38.460 0.195 0.000 0.972 588 Y HN 0.440 nan 8.280 nan 0.000 0.504 589 Q N 0.263 120.213 119.800 0.251 0.000 2.224 589 Q HA -0.159 4.181 4.340 -0.000 0.000 0.203 589 Q C 1.637 177.641 176.000 0.007 0.000 0.970 589 Q CA 1.454 57.322 55.803 0.108 0.000 0.865 589 Q CB -0.364 28.510 28.738 0.226 0.000 0.922 589 Q HN 0.644 nan 8.270 nan 0.000 0.445 590 D N -0.422 120.001 120.400 0.038 0.000 2.264 590 D HA -0.118 4.522 4.640 -0.000 0.000 0.208 590 D C 1.480 177.787 176.300 0.013 0.000 0.966 590 D CA 0.604 54.615 54.000 0.018 0.000 0.864 590 D CB -0.131 40.689 40.800 0.033 0.000 0.933 590 D HN 0.234 nan 8.370 nan 0.000 0.499 591 F N 0.145 119.995 119.950 -0.166 0.000 2.317 591 F HA 0.114 4.641 4.527 -0.000 0.000 0.290 591 F C 2.064 177.681 175.800 -0.305 0.000 1.075 591 F CA 0.354 58.217 58.000 -0.227 0.000 1.380 591 F CB 0.012 38.860 39.000 -0.253 0.000 1.093 591 F HN -0.248 nan 8.300 nan 0.000 0.524 592 M N 0.248 119.561 119.600 -0.478 0.000 2.287 592 M HA -0.038 4.442 4.480 -0.000 0.000 0.266 592 M C 2.043 178.139 176.300 -0.341 0.000 1.079 592 M CA 1.311 56.265 55.300 -0.577 0.000 1.146 592 M CB -0.431 31.829 32.600 -0.566 0.000 1.374 592 M HN 0.030 nan 8.290 nan 0.000 0.435 593 Q N 0.161 119.840 119.800 -0.202 0.000 2.084 593 Q HA -0.061 4.279 4.340 -0.000 0.000 0.202 593 Q C -0.483 175.454 176.000 -0.106 0.000 0.978 593 Q CA 1.776 57.521 55.803 -0.096 0.000 0.844 593 Q CB -1.985 26.730 28.738 -0.038 0.000 0.898 593 Q HN 0.383 nan 8.270 nan 0.000 0.426 594 P HA -0.135 nan 4.420 nan 0.000 0.216 594 P C 1.632 178.853 177.300 -0.132 0.000 1.153 594 P CA 0.763 63.789 63.100 -0.124 0.000 0.848 594 P CB -0.200 31.415 31.700 -0.141 0.000 0.787 595 L N -0.519 120.545 121.223 -0.265 0.000 2.079 595 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 595 L C 2.068 178.900 176.870 -0.063 0.000 1.081 595 L CA 1.872 56.577 54.840 -0.224 0.000 0.752 595 L CB -1.155 40.587 42.059 -0.528 0.000 0.896 595 L HN -0.199 nan 8.230 nan 0.000 0.433 596 V N 0.179 120.063 119.914 -0.050 0.000 2.515 596 V HA -0.141 3.979 4.120 -0.000 0.000 0.250 596 V C 2.597 178.802 176.094 0.185 0.000 1.058 596 V CA 1.572 63.919 62.300 0.078 0.000 1.064 596 V CB -1.309 30.573 31.823 0.098 0.000 0.675 596 V HN 0.655 nan 8.190 nan 0.000 0.461 597 G N -0.385 108.475 108.800 0.099 0.000 2.421 597 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 597 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 597 G C 1.702 176.673 174.900 0.118 0.000 1.171 597 G CA 1.539 46.698 45.100 0.099 0.000 0.775 597 G HN 0.460 nan 8.290 nan 0.000 0.543 598 T N 1.082 115.685 114.554 0.081 0.000 2.746 598 T HA -0.109 4.240 4.350 -0.000 0.000 0.267 598 T C 2.250 177.023 174.700 0.123 0.000 1.039 598 T CA 1.158 63.314 62.100 0.092 0.000 1.142 598 T CB -0.241 68.678 68.868 0.086 0.000 0.866 598 T HN 0.123 nan 8.240 nan 0.000 0.444 599 L N 0.152 121.448 121.223 0.122 0.000 2.046 599 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 599 L C 2.065 178.939 176.870 0.007 0.000 1.077 599 L CA 1.708 56.592 54.840 0.074 0.000 0.747 599 L CB -0.822 41.257 42.059 0.034 0.000 0.896 599 L HN 0.270 nan 8.230 nan 0.000 0.432 600 Y N -0.231 120.079 120.300 0.016 0.000 2.181 600 Y HA -0.315 4.235 4.550 -0.000 0.000 0.288 600 Y C 2.866 178.767 175.900 0.002 0.000 1.146 600 Y CA 2.092 60.191 58.100 -0.002 0.000 1.164 600 Y CB -0.368 38.088 38.460 -0.007 0.000 0.982 600 Y HN 0.383 nan 8.280 nan 0.000 0.515 601 Q N 0.378 120.282 119.800 0.172 0.000 2.045 601 Q HA -0.236 4.104 4.340 -0.000 0.000 0.206 601 Q C 2.104 178.148 176.000 0.074 0.000 0.991 601 Q CA 2.199 58.063 55.803 0.101 0.000 0.851 601 Q CB -0.398 28.389 28.738 0.081 0.000 0.911 601 Q HN 0.527 nan 8.270 nan 0.000 0.418 602 L N 0.181 121.450 121.223 0.076 0.000 2.012 602 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 602 L C 2.416 179.303 176.870 0.029 0.000 1.073 602 L CA 0.670 55.554 54.840 0.073 0.000 0.748 602 L CB -0.497 41.624 42.059 0.104 0.000 0.891 602 L HN 0.381 nan 8.230 nan 0.000 0.431 603 I N 0.043 120.601 120.570 -0.020 0.000 2.208 603 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 603 I C 2.246 178.333 176.117 -0.050 0.000 1.097 603 I CA 1.657 62.910 61.300 -0.079 0.000 1.363 603 I CB -1.158 36.757 38.000 -0.142 0.000 1.051 603 I HN 0.341 nan 8.210 nan 0.000 0.413 604 D N 0.452 120.854 120.400 0.002 0.000 2.117 604 D HA -0.218 4.422 4.640 -0.000 0.000 0.197 604 D C 2.235 178.536 176.300 0.002 0.000 0.987 604 D CA 1.349 55.356 54.000 0.013 0.000 0.829 604 D CB 0.102 40.928 40.800 0.044 0.000 0.961 604 D HN 0.302 nan 8.370 nan 0.000 0.460 605 Q N -0.383 119.426 119.800 0.014 0.000 2.050 605 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 605 Q C 2.220 178.220 176.000 -0.000 0.000 0.980 605 Q CA 1.631 57.447 55.803 0.021 0.000 0.840 605 Q CB -0.241 28.526 28.738 0.048 0.000 0.898 605 Q HN 0.369 nan 8.270 nan 0.000 0.424 606 A N 1.133 123.927 122.820 -0.043 0.000 1.908 606 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 606 A C 1.845 179.325 177.584 -0.172 0.000 1.181 606 A CA 1.749 53.668 52.037 -0.196 0.000 0.627 606 A CB -0.380 18.371 19.000 -0.415 0.000 0.818 606 A HN 0.220 nan 8.150 nan 0.000 0.445 607 K N -0.831 119.501 120.400 -0.114 0.000 2.283 607 K HA -0.044 4.276 4.320 -0.000 0.000 0.202 607 K C 1.530 178.106 176.600 -0.039 0.000 1.048 607 K CA 1.063 57.304 56.287 -0.077 0.000 0.948 607 K CB -0.068 32.401 32.500 -0.052 0.000 0.742 607 K HN 0.361 nan 8.250 nan 0.000 0.458 608 R N 0.624 121.109 120.500 -0.024 0.000 2.426 608 R HA 0.088 4.428 4.340 -0.000 0.000 0.263 608 R C -0.339 175.966 176.300 0.007 0.000 0.961 608 R CA 0.074 56.171 56.100 -0.004 0.000 1.086 608 R CB 0.657 30.959 30.300 0.002 0.000 1.186 608 R HN -0.024 nan 8.270 nan 0.000 0.537 609 T N 2.858 117.416 114.554 0.008 0.000 2.771 609 T HA 0.249 4.599 4.350 -0.000 0.000 0.291 609 T C -2.341 172.395 174.700 0.059 0.000 0.954 609 T CA -1.513 60.613 62.100 0.043 0.000 1.045 609 T CB 1.594 70.510 68.868 0.079 0.000 0.917 609 T HN -0.075 nan 8.240 nan 0.000 0.484 610 P HA 0.147 nan 4.420 nan 0.000 0.267 610 P C 0.833 178.188 177.300 0.092 0.000 1.209 610 P CA -0.240 62.887 63.100 0.045 0.000 0.763 610 P CB 0.597 32.303 31.700 0.010 0.000 0.816 611 V N 4.142 124.130 119.914 0.123 0.000 2.515 611 V HA -0.249 3.871 4.120 -0.000 0.000 0.250 611 V C 2.354 178.573 176.094 0.209 0.000 1.058 611 V CA 2.014 64.449 62.300 0.225 0.000 1.064 611 V CB -0.890 31.024 31.823 0.151 0.000 0.675 611 V HN 0.621 nan 8.190 nan 0.000 0.461 612 R N 2.179 122.729 120.500 0.085 0.000 2.139 612 R HA -0.260 4.080 4.340 -0.000 0.000 0.243 612 R C 1.986 178.280 176.300 -0.011 0.000 1.145 612 R CA 2.050 58.176 56.100 0.044 0.000 0.976 612 R CB -1.150 29.159 30.300 0.014 0.000 0.866 612 R HN 0.728 nan 8.270 nan 0.000 0.449 613 Q N -0.073 119.645 119.800 -0.138 0.000 2.437 613 Q HA -0.080 4.260 4.340 -0.000 0.000 0.210 613 Q C 0.935 176.720 176.000 -0.359 0.000 0.972 613 Q CA 1.074 56.704 55.803 -0.289 0.000 0.903 613 Q CB -0.252 28.236 28.738 -0.417 0.000 0.967 613 Q HN 0.526 nan 8.270 nan 0.000 0.486 614 F N 0.638 120.600 119.950 0.019 0.000 2.776 614 F HA 0.244 4.771 4.527 -0.000 0.000 0.300 614 F C 1.126 176.943 175.800 0.028 0.000 1.116 614 F CA -0.643 57.360 58.000 0.006 0.000 1.375 614 F CB 0.347 39.357 39.000 0.018 0.000 1.109 614 F HN -0.079 nan 8.300 nan 0.000 0.585 615 R N 0.224 120.823 120.500 0.165 0.000 2.543 615 R HA 0.426 4.766 4.340 -0.000 0.000 0.277 615 R C 1.063 177.419 176.300 0.094 0.000 1.074 615 R CA 1.208 57.386 56.100 0.129 0.000 1.076 615 R CB 0.391 30.745 30.300 0.091 0.000 0.993 615 R HN 0.362 nan 8.270 nan 0.000 0.459 616 G N 3.563 112.425 108.800 0.102 0.000 2.424 616 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.207 616 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.207 616 G C 0.371 175.332 174.900 0.103 0.000 1.061 616 G CA -0.100 45.049 45.100 0.083 0.000 0.657 616 G HN 0.547 nan 8.290 nan 0.000 0.508 647 V N -1.867 118.114 119.914 0.110 0.000 2.374 647 V HA 0.198 4.318 4.120 -0.000 0.000 0.241 647 V C 1.503 177.628 176.094 0.052 0.000 1.034 647 V CA 1.547 63.901 62.300 0.090 0.000 1.037 647 V CB -0.552 31.355 31.823 0.139 0.000 0.682 647 V HN 0.755 nan 8.190 nan 0.000 0.463 648 G N 0.789 109.602 108.800 0.021 0.000 3.262 648 G HA2 0.059 4.019 3.960 -0.000 0.000 0.228 648 G HA3 0.059 4.019 3.960 -0.000 0.000 0.228 648 G C 1.523 176.397 174.900 -0.043 0.000 1.197 648 G CA 0.753 45.843 45.100 -0.015 0.000 0.819 648 G HN 0.663 nan 8.290 nan 0.000 0.531 649 S N -0.214 115.474 115.700 -0.020 0.000 2.402 649 S HA -0.001 4.469 4.470 -0.000 0.000 0.229 649 S C 2.443 177.051 174.600 0.013 0.000 1.021 649 S CA 1.397 59.581 58.200 -0.026 0.000 0.974 649 S CB -0.455 62.747 63.200 0.004 0.000 0.800 649 S HN 0.297 nan 8.310 nan 0.000 0.484 650 G N 1.385 110.206 108.800 0.035 0.000 2.442 650 G HA2 0.025 3.984 3.960 -0.000 0.000 0.219 650 G HA3 0.025 3.984 3.960 -0.000 0.000 0.219 650 G C 1.634 176.595 174.900 0.102 0.000 1.141 650 G CA 0.796 45.939 45.100 0.073 0.000 0.763 650 G HN 0.831 nan 8.290 nan 0.000 0.554 651 A N 0.172 123.026 122.820 0.057 0.000 2.066 651 A HA 0.238 4.558 4.320 -0.000 0.000 0.218 651 A C 2.286 179.923 177.584 0.089 0.000 1.157 651 A CA 0.862 52.934 52.037 0.058 0.000 0.670 651 A CB -0.173 18.836 19.000 0.015 0.000 0.804 651 A HN 0.400 nan 8.150 nan 0.000 0.453 652 I N -0.885 119.718 120.570 0.056 0.000 2.703 652 I HA -0.057 4.113 4.170 -0.000 0.000 0.259 652 I C 2.792 179.033 176.117 0.206 0.000 1.151 652 I CA 0.747 62.100 61.300 0.089 0.000 1.470 652 I CB -0.189 37.732 38.000 -0.133 0.000 1.112 652 I HN 0.273 nan 8.210 nan 0.000 0.437 653 A N 0.345 123.264 122.820 0.164 0.000 1.898 653 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 653 A C 2.049 179.792 177.584 0.266 0.000 1.181 653 A CA 1.698 53.850 52.037 0.191 0.000 0.620 653 A CB -0.965 18.095 19.000 0.100 0.000 0.819 653 A HN 0.408 nan 8.150 nan 0.000 0.442 654 H N -2.809 116.367 119.070 0.177 0.000 2.524 654 H HA -0.030 4.526 4.556 -0.000 0.000 0.282 654 H C 1.859 177.353 175.328 0.277 0.000 1.016 654 H CA 1.472 57.618 56.048 0.164 0.000 1.270 654 H CB 0.057 29.860 29.762 0.068 0.000 1.394 654 H HN 0.735 nan 8.280 nan 0.000 0.568 655 H N -1.711 117.524 119.070 0.276 0.000 2.465 655 H HA -0.023 4.533 4.556 -0.000 0.000 0.289 655 H C 2.092 177.557 175.328 0.228 0.000 1.022 655 H CA 1.301 57.481 56.048 0.221 0.000 1.340 655 H CB 0.086 29.943 29.762 0.159 0.000 1.437 655 H HN 0.404 nan 8.280 nan 0.000 0.539 656 H N -1.105 118.040 119.070 0.124 0.000 2.353 656 H HA -0.108 4.448 4.556 -0.000 0.000 0.300 656 H C 1.738 177.028 175.328 -0.063 0.000 1.090 656 H CA 2.234 58.281 56.048 -0.003 0.000 1.327 656 H CB 0.165 29.940 29.762 0.022 0.000 1.383 656 H HN 0.458 nan 8.280 nan 0.000 0.508 657 H N -1.141 118.002 119.070 0.121 0.000 2.284 657 H HA 0.021 4.577 4.556 -0.000 0.000 0.304 657 H C 0.977 176.275 175.328 -0.050 0.000 1.069 657 H CA 1.355 57.425 56.048 0.036 0.000 1.327 657 H CB -0.178 29.610 29.762 0.043 0.000 1.387 657 H HN 0.389 nan 8.280 nan 0.000 0.498 658 H N 0.000 119.144 119.070 0.123 0.000 2.539 658 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 658 H CA 0.000 56.081 56.048 0.054 0.000 1.023 658 H CB 0.000 29.826 29.762 0.106 0.000 1.292 658 H HN 0.000 nan 8.280 nan 0.000 0.496