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 3i04_1_C DATA FIRST_RESID 2 DATA SEQUENCE PRFRDLSHNC RPSEAPRVME PKNRDRTVDP AVLEMLVKSK DDKVITAFDR DATA SEQUENCE FVAQQPQCKI GYEGICCRFC MAGPCRIKAT DGPGSRGICG ASAWTIVARN DATA SEQUENCE VGLMILTGAA AHCEHGNHIA HALVEMAEGK APDYSVKDEA KLKEVCRRVG DATA SEQUENCE IEVEGKSVLE LAQEVGEKAL EDFRRLKGEG EATWLMTTIN EGRKEKFRTH DATA SEQUENCE NVVPFGIHAS ISELVNQAHM GMDNDPVNLV FSAIRVALAD YTGEHIATDF DATA SEQUENCE SDILFGTPQP VVSEANMGVL DPDQVNFVLH GHNPLLSEII VQAAREMEGE DATA SEQUENCE AKAAGAKGIN LVGICCTGNE VLMRQGIPLV TSFASQELAI CTGAIDAMCV DATA SEQUENCE DVQCIMPSIS AVAECYHTRI ITTADNAKIP GAYHIDYQTA TAIESAKTAI DATA SEQUENCE RMAIEAFKER KESNRPVYIP QIKNRVVAGW SLEALTKLLA TQNAQNPIRV DATA SEQUENCE LNQAILDGEL AGVALICGCN NLKGFQDNSH LTVMKELLKN NVFVVATGCS DATA SEQUENCE AQAAGKLGLL DPANVETYCG DGLKGFLKRL GEGANIEIGL PPVFHMGSCV DATA SEQUENCE DNSRAVDLLM AMANDLGVDT PKVPFVASAP EAMSGKAAAI GTWWVSLGVP DATA SEQUENCE THVGTMPPVE GSDLIYSILT QIASDVYGGY FIFEMDPQVA ARKILDALEY DATA SEQUENCE RTWKLGVHKE VAERYETKLC QGY 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 176.777 177.300 -0.872 0.000 1.155 2 P CA 0.000 62.536 63.100 -0.939 0.000 0.800 2 P CB 0.000 30.693 31.700 -1.679 0.000 0.726 3 R N 0.103 120.246 120.500 -0.596 0.000 2.295 3 R HA 0.666 5.006 4.340 -0.000 0.000 0.324 3 R C -0.788 175.301 176.300 -0.352 0.000 0.968 3 R CA -0.206 55.675 56.100 -0.366 0.000 0.837 3 R CB 0.665 30.898 30.300 -0.111 0.000 1.133 3 R HN 0.236 nan 8.270 nan 0.000 0.450 4 F N 1.092 120.991 119.950 -0.084 0.000 2.399 4 F HA 0.351 4.878 4.527 -0.000 0.000 0.328 4 F C 1.931 177.689 175.800 -0.071 0.000 1.084 4 F CA -0.660 57.304 58.000 -0.060 0.000 1.053 4 F CB 1.199 40.063 39.000 -0.227 0.000 1.209 4 F HN 0.424 nan 8.300 nan 0.000 0.502 5 R N 0.578 121.135 120.500 0.095 0.000 2.096 5 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 5 R C 0.255 176.566 176.300 0.017 0.000 1.127 5 R CA 1.296 57.359 56.100 -0.061 0.000 0.968 5 R CB -0.202 29.991 30.300 -0.177 0.000 0.861 5 R HN 0.628 nan 8.270 nan 0.000 0.440 6 D N 1.365 121.818 120.400 0.088 0.000 2.398 6 D HA -0.022 4.618 4.640 -0.000 0.000 0.250 6 D C 1.278 177.643 176.300 0.109 0.000 1.287 6 D CA 0.062 54.110 54.000 0.080 0.000 0.992 6 D CB 0.343 41.192 40.800 0.083 0.000 1.071 6 D HN 0.242 nan 8.370 nan 0.000 0.514 7 L N 2.370 123.635 121.223 0.070 0.000 2.270 7 L HA -0.238 4.102 4.340 -0.000 0.000 0.217 7 L C 2.232 179.152 176.870 0.084 0.000 1.107 7 L CA 1.258 56.141 54.840 0.071 0.000 0.772 7 L CB -0.701 41.382 42.059 0.040 0.000 0.902 7 L HN 0.351 nan 8.230 nan 0.000 0.439 8 S N -2.431 113.316 115.700 0.078 0.000 2.562 8 S HA -0.135 4.335 4.470 -0.000 0.000 0.221 8 S C 0.795 175.464 174.600 0.114 0.000 0.975 8 S CA -0.157 58.087 58.200 0.073 0.000 0.918 8 S CB -0.558 62.664 63.200 0.038 0.000 0.772 8 S HN 0.583 nan 8.310 nan 0.000 0.531 9 H N 2.057 121.127 119.070 0.000 0.000 2.690 9 H HA 0.469 5.025 4.556 -0.000 0.000 0.289 9 H C -0.033 175.339 175.328 0.073 0.000 1.089 9 H CA -0.743 55.271 56.048 -0.056 0.000 1.299 9 H CB 0.186 29.793 29.762 -0.259 0.000 1.405 9 H HN 0.598 nan 8.280 nan 0.000 0.463 10 N N 2.143 121.060 118.700 0.362 0.000 3.294 10 N HA 0.072 4.812 4.740 -0.000 0.000 0.355 10 N C 0.681 176.403 175.510 0.354 0.000 1.497 10 N CA -0.327 52.897 53.050 0.290 0.000 0.707 10 N CB 0.265 38.866 38.487 0.190 0.000 1.732 10 N HN 0.467 nan 8.380 nan 0.000 0.640 11 C N -2.326 117.157 119.300 0.306 0.000 2.696 11 C HA 0.431 4.891 4.460 -0.000 0.000 0.264 11 C C 0.341 175.618 174.990 0.478 0.000 1.288 11 C CA -0.659 58.582 59.018 0.371 0.000 1.717 11 C CB -1.144 26.798 27.740 0.338 0.000 1.893 11 C HN 0.375 nan 8.230 nan 0.000 0.577 12 R N 2.181 122.893 120.500 0.353 0.000 2.486 12 R HA 0.509 4.849 4.340 -0.000 0.000 0.286 12 R C -2.410 174.030 176.300 0.233 0.000 0.999 12 R CA -1.495 54.778 56.100 0.288 0.000 0.993 12 R CB 0.452 30.822 30.300 0.117 0.000 1.084 12 R HN 0.267 nan 8.270 nan 0.000 0.487 13 P HA -0.024 nan 4.420 nan 0.000 0.272 13 P C -0.024 177.330 177.300 0.090 0.000 1.240 13 P CA -0.277 62.921 63.100 0.163 0.000 0.791 13 P CB 0.590 32.388 31.700 0.162 0.000 0.978 14 S N 0.406 116.139 115.700 0.055 0.000 2.641 14 S HA 0.012 4.482 4.470 -0.000 0.000 0.251 14 S C 0.912 175.530 174.600 0.029 0.000 1.332 14 S CA -0.093 58.123 58.200 0.027 0.000 0.968 14 S CB -0.128 63.073 63.200 0.001 0.000 0.987 14 S HN 0.414 nan 8.310 nan 0.000 0.587 15 E N 0.317 120.526 120.200 0.015 0.000 2.437 15 E HA 0.304 4.654 4.350 -0.000 0.000 0.189 15 E C 0.733 177.337 176.600 0.007 0.000 1.054 15 E CA 0.157 56.565 56.400 0.012 0.000 0.874 15 E CB -0.402 29.302 29.700 0.006 0.000 1.011 15 E HN 0.701 nan 8.360 nan 0.000 0.474 16 A N 2.914 125.738 122.820 0.007 0.000 2.555 16 A HA 0.135 4.455 4.320 -0.000 0.000 0.233 16 A C -2.048 175.538 177.584 0.004 0.000 1.060 16 A CA -0.643 51.393 52.037 -0.001 0.000 0.759 16 A CB -0.380 18.619 19.000 -0.002 0.000 0.995 16 A HN -0.084 nan 8.150 nan 0.000 0.506 17 P HA 0.208 nan 4.420 nan 0.000 0.271 17 P C 0.576 177.878 177.300 0.003 0.000 1.216 17 P CA -0.470 62.626 63.100 -0.007 0.000 0.771 17 P CB 0.600 32.290 31.700 -0.016 0.000 0.864 18 R N 1.469 121.972 120.500 0.006 0.000 2.096 18 R HA 0.016 4.356 4.340 -0.000 0.000 0.235 18 R C 0.298 176.618 176.300 0.033 0.000 1.127 18 R CA 0.906 57.020 56.100 0.025 0.000 0.968 18 R CB -0.686 29.604 30.300 -0.017 0.000 0.861 18 R HN 0.314 nan 8.270 nan 0.000 0.440 19 V N 2.455 122.387 119.914 0.030 0.000 2.384 19 V HA 0.274 4.394 4.120 -0.000 0.000 0.287 19 V C 0.276 176.410 176.094 0.067 0.000 1.020 19 V CA -0.501 61.860 62.300 0.102 0.000 0.850 19 V CB 1.692 33.623 31.823 0.180 0.000 0.987 19 V HN 0.080 nan 8.190 nan 0.000 0.436 20 M N 3.386 123.009 119.600 0.039 0.000 2.200 20 M HA 0.272 4.752 4.480 -0.000 0.000 0.355 20 M C 0.538 176.898 176.300 0.099 0.000 1.283 20 M CA 0.193 55.468 55.300 -0.043 0.000 1.124 20 M CB -0.079 32.345 32.600 -0.294 0.000 1.625 20 M HN 0.670 nan 8.290 nan 0.000 0.463 21 E N 1.634 121.878 120.200 0.072 0.000 2.173 21 E HA -0.210 4.140 4.350 -0.000 0.000 0.160 21 E C -1.974 174.756 176.600 0.217 0.000 1.581 21 E CA -0.454 56.036 56.400 0.149 0.000 0.618 21 E CB -1.142 28.684 29.700 0.210 0.000 1.049 21 E HN 0.550 nan 8.360 nan 0.000 0.311 22 P HA -0.211 nan 4.420 nan 0.000 0.221 22 P C 0.803 178.221 177.300 0.197 0.000 1.141 22 P CA 1.218 64.449 63.100 0.218 0.000 0.794 22 P CB 0.246 32.012 31.700 0.111 0.000 0.764 23 K N -2.504 117.986 120.400 0.151 0.000 2.358 23 K HA 0.130 4.450 4.320 -0.000 0.000 0.200 23 K C 0.392 177.063 176.600 0.118 0.000 1.030 23 K CA -0.047 56.308 56.287 0.114 0.000 1.097 23 K CB -0.059 32.484 32.500 0.073 0.000 0.862 23 K HN 0.073 nan 8.250 nan 0.000 0.534 24 N N 2.384 121.174 118.700 0.150 0.000 2.414 24 N HA 0.038 4.777 4.740 -0.000 0.000 0.256 24 N C 0.945 176.497 175.510 0.070 0.000 1.029 24 N CA -0.135 52.982 53.050 0.111 0.000 0.948 24 N CB 0.922 39.515 38.487 0.176 0.000 1.102 24 N HN 0.106 nan 8.380 nan 0.000 0.496 25 R N 1.876 122.400 120.500 0.040 0.000 2.236 25 R HA 0.091 4.431 4.340 -0.000 0.000 0.208 25 R C -0.635 175.625 176.300 -0.067 0.000 1.036 25 R CA 0.691 56.820 56.100 0.049 0.000 1.001 25 R CB 0.093 30.427 30.300 0.055 0.000 0.896 25 R HN 0.313 nan 8.270 nan 0.000 0.464 26 D N 3.133 123.423 120.400 -0.184 0.000 3.032 26 D HA 0.003 4.643 4.640 -0.000 0.000 0.241 26 D C -0.257 175.654 176.300 -0.649 0.000 1.196 26 D CA 0.120 53.921 54.000 -0.333 0.000 0.927 26 D CB 0.188 40.856 40.800 -0.220 0.000 1.129 26 D HN 0.412 nan 8.370 nan 0.000 0.458 27 R N 0.118 120.225 120.500 -0.655 0.000 4.071 27 R HA 0.277 4.617 4.340 -0.000 0.000 0.220 27 R C 0.138 176.095 176.300 -0.571 0.000 1.614 27 R CA -0.310 55.014 56.100 -1.293 0.000 1.505 27 R CB -0.032 29.898 30.300 -0.617 0.000 1.384 27 R HN -0.134 nan 8.270 nan 0.000 0.758 28 T N -0.767 113.473 114.554 -0.524 0.000 2.886 28 T HA 0.168 4.518 4.350 -0.000 0.000 0.330 28 T C 0.041 174.748 174.700 0.011 0.000 1.488 28 T CA -0.650 61.413 62.100 -0.061 0.000 1.054 28 T CB 1.795 70.627 68.868 -0.060 0.000 1.348 28 T HN 0.217 nan 8.240 nan 0.000 0.489 29 V N 0.225 120.199 119.914 0.100 0.000 3.319 29 V HA 0.484 4.604 4.120 -0.000 0.000 0.317 29 V C 0.355 176.479 176.094 0.050 0.000 1.411 29 V CA -0.019 62.336 62.300 0.093 0.000 1.112 29 V CB 0.134 32.030 31.823 0.121 0.000 1.031 29 V HN 0.766 nan 8.190 nan 0.000 0.448 30 D N 2.696 123.113 120.400 0.029 0.000 2.339 30 D HA 0.305 4.945 4.640 -0.000 0.000 0.241 30 D C -1.415 174.878 176.300 -0.011 0.000 1.183 30 D CA -2.134 51.877 54.000 0.018 0.000 0.859 30 D CB 2.203 43.019 40.800 0.027 0.000 1.067 30 D HN 0.196 nan 8.370 nan 0.000 0.484 31 P HA -0.029 nan 4.420 nan 0.000 0.223 31 P C 0.974 178.266 177.300 -0.014 0.000 1.151 31 P CA 0.598 63.693 63.100 -0.008 0.000 0.787 31 P CB 0.179 31.884 31.700 0.008 0.000 0.788 32 A N -0.123 122.690 122.820 -0.011 0.000 1.969 32 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 32 A C 2.306 179.868 177.584 -0.037 0.000 1.169 32 A CA 1.491 53.521 52.037 -0.011 0.000 0.635 32 A CB -1.532 17.459 19.000 -0.016 0.000 0.810 32 A HN 0.069 nan 8.150 nan 0.000 0.445 33 V N 0.052 119.923 119.914 -0.072 0.000 2.379 33 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 33 V C 2.510 178.475 176.094 -0.216 0.000 1.044 33 V CA 1.608 63.817 62.300 -0.152 0.000 1.036 33 V CB -0.810 30.913 31.823 -0.167 0.000 0.664 33 V HN 0.562 nan 8.190 nan 0.000 0.453 34 L N -0.085 121.033 121.223 -0.175 0.000 1.990 34 L HA -0.271 4.069 4.340 -0.000 0.000 0.213 34 L C 2.665 179.462 176.870 -0.120 0.000 1.072 34 L CA 2.038 56.780 54.840 -0.163 0.000 0.755 34 L CB -0.727 41.270 42.059 -0.104 0.000 0.889 34 L HN 0.403 nan 8.230 nan 0.000 0.432 35 E N -0.604 119.560 120.200 -0.060 0.000 2.077 35 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 35 E C 2.272 178.845 176.600 -0.044 0.000 0.989 35 E CA 1.201 57.587 56.400 -0.022 0.000 0.800 35 E CB -0.095 29.668 29.700 0.105 0.000 0.746 35 E HN 0.395 nan 8.360 nan 0.000 0.452 36 M N 0.199 119.777 119.600 -0.037 0.000 2.229 36 M HA -0.072 4.408 4.480 -0.000 0.000 0.264 36 M C 2.290 178.532 176.300 -0.097 0.000 1.063 36 M CA 1.107 56.383 55.300 -0.041 0.000 1.114 36 M CB -0.704 31.869 32.600 -0.044 0.000 1.387 36 M HN 0.126 nan 8.290 nan 0.000 0.420 37 L N -0.705 120.419 121.223 -0.165 0.000 2.362 37 L HA -0.139 4.201 4.340 -0.000 0.000 0.219 37 L C 2.342 179.137 176.870 -0.124 0.000 1.134 37 L CA 0.227 54.959 54.840 -0.178 0.000 0.807 37 L CB -0.530 41.349 42.059 -0.300 0.000 0.927 37 L HN 0.042 nan 8.230 nan 0.000 0.447 38 V N 0.001 119.842 119.914 -0.121 0.000 2.270 38 V HA -0.317 3.803 4.120 -0.000 0.000 0.245 38 V C 2.543 178.578 176.094 -0.099 0.000 1.043 38 V CA 2.006 64.240 62.300 -0.111 0.000 1.014 38 V CB -0.451 31.292 31.823 -0.133 0.000 0.645 38 V HN 0.441 nan 8.190 nan 0.000 0.447 39 K N 0.742 121.077 120.400 -0.109 0.000 2.057 39 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 39 K C 2.412 179.010 176.600 -0.003 0.000 1.049 39 K CA 1.857 58.103 56.287 -0.068 0.000 0.931 39 K CB -0.274 32.189 32.500 -0.062 0.000 0.714 39 K HN 0.617 nan 8.250 nan 0.000 0.440 40 S N 0.681 116.380 115.700 -0.002 0.000 2.368 40 S HA -0.209 4.261 4.470 -0.000 0.000 0.225 40 S C 2.023 176.634 174.600 0.018 0.000 1.030 40 S CA 1.422 59.645 58.200 0.037 0.000 0.999 40 S CB -0.324 62.891 63.200 0.025 0.000 0.844 40 S HN 0.363 nan 8.310 nan 0.000 0.459 41 K N 1.235 121.627 120.400 -0.013 0.000 2.026 41 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 41 K C 1.609 178.200 176.600 -0.016 0.000 1.048 41 K CA 1.851 58.129 56.287 -0.016 0.000 0.929 41 K CB -0.388 32.095 32.500 -0.029 0.000 0.713 41 K HN 0.262 nan 8.250 nan 0.000 0.439 42 D N 1.095 121.481 120.400 -0.023 0.000 2.133 42 D HA -0.165 4.475 4.640 -0.000 0.000 0.195 42 D C 1.294 177.586 176.300 -0.014 0.000 0.997 42 D CA 1.281 55.267 54.000 -0.024 0.000 0.840 42 D CB -0.287 40.492 40.800 -0.034 0.000 0.947 42 D HN 0.288 nan 8.370 nan 0.000 0.452 43 D N -0.007 120.396 120.400 0.004 0.000 2.355 43 D HA -0.003 4.637 4.640 -0.000 0.000 0.218 43 D C 0.362 176.646 176.300 -0.026 0.000 1.004 43 D CA 0.203 54.201 54.000 -0.003 0.000 0.880 43 D CB 0.134 40.975 40.800 0.068 0.000 0.911 43 D HN 0.235 nan 8.370 nan 0.000 0.528 44 K N -0.587 119.807 120.400 -0.010 0.000 3.167 44 K HA -0.132 4.188 4.320 -0.000 0.000 0.272 44 K C -0.726 175.871 176.600 -0.005 0.000 1.137 44 K CA 0.001 56.280 56.287 -0.013 0.000 0.800 44 K CB -1.835 30.650 32.500 -0.026 0.000 1.253 44 K HN 0.038 nan 8.250 nan 0.000 0.497 45 V N 1.630 121.557 119.914 0.021 0.000 2.439 45 V HA 0.338 4.458 4.120 -0.000 0.000 0.282 45 V C 0.723 176.844 176.094 0.046 0.000 1.039 45 V CA -0.610 61.716 62.300 0.044 0.000 0.913 45 V CB 1.396 33.285 31.823 0.110 0.000 0.983 45 V HN 0.156 nan 8.190 nan 0.000 0.460 46 I N 4.935 125.531 120.570 0.043 0.000 2.395 46 I HA 0.428 4.598 4.170 -0.000 0.000 0.289 46 I C 0.694 176.850 176.117 0.065 0.000 1.023 46 I CA 0.334 61.664 61.300 0.049 0.000 1.350 46 I CB 1.532 39.553 38.000 0.036 0.000 1.409 46 I HN 0.831 nan 8.210 nan 0.000 0.507 47 T N 1.952 116.560 114.554 0.090 0.000 2.910 47 T HA 0.584 4.934 4.350 -0.000 0.000 0.287 47 T C 1.027 175.785 174.700 0.098 0.000 1.050 47 T CA -0.279 61.887 62.100 0.110 0.000 1.011 47 T CB 1.649 70.631 68.868 0.191 0.000 1.195 47 T HN 0.525 nan 8.240 nan 0.000 0.540 48 A N 0.048 122.885 122.820 0.028 0.000 1.997 48 A HA 0.000 4.320 4.320 -0.000 0.000 0.221 48 A C 1.813 179.343 177.584 -0.091 0.000 1.172 48 A CA 1.661 53.649 52.037 -0.081 0.000 0.645 48 A CB -1.378 17.464 19.000 -0.264 0.000 0.813 48 A HN 0.773 nan 8.150 nan 0.000 0.454 49 F N 0.432 120.390 119.950 0.012 0.000 2.146 49 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 49 F C 2.238 178.082 175.800 0.072 0.000 1.096 49 F CA 1.686 59.692 58.000 0.010 0.000 1.275 49 F CB -0.246 38.717 39.000 -0.061 0.000 1.008 49 F HN 0.247 nan 8.300 nan 0.000 0.480 50 D N -0.193 120.339 120.400 0.221 0.000 2.149 50 D HA -0.080 4.560 4.640 -0.000 0.000 0.201 50 D C 2.299 178.665 176.300 0.111 0.000 0.972 50 D CA 0.790 54.875 54.000 0.142 0.000 0.835 50 D CB -0.332 40.528 40.800 0.100 0.000 0.966 50 D HN 0.295 nan 8.370 nan 0.000 0.476 51 R N 0.085 120.642 120.500 0.095 0.000 2.081 51 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 51 R C 2.313 178.654 176.300 0.069 0.000 1.131 51 R CA 0.684 56.820 56.100 0.060 0.000 0.960 51 R CB -0.490 29.837 30.300 0.045 0.000 0.856 51 R HN 0.172 nan 8.270 nan 0.000 0.436 52 F N 1.365 121.303 119.950 -0.021 0.000 2.095 52 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 52 F C 2.135 177.938 175.800 0.005 0.000 1.104 52 F CA 1.452 59.441 58.000 -0.017 0.000 1.232 52 F CB -0.265 38.710 39.000 -0.041 0.000 0.987 52 F HN -0.276 nan 8.300 nan 0.000 0.475 53 V N 0.690 120.730 119.914 0.210 0.000 2.252 53 V HA -0.372 3.748 4.120 -0.000 0.000 0.249 53 V C 2.737 178.809 176.094 -0.037 0.000 1.056 53 V CA 2.026 64.392 62.300 0.110 0.000 1.022 53 V CB -1.660 30.250 31.823 0.146 0.000 0.641 53 V HN 0.507 nan 8.190 nan 0.000 0.445 54 A N -1.092 121.713 122.820 -0.026 0.000 2.070 54 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 54 A C 2.100 179.627 177.584 -0.095 0.000 1.159 54 A CA 1.381 53.391 52.037 -0.046 0.000 0.656 54 A CB -0.362 18.626 19.000 -0.019 0.000 0.800 54 A HN 0.574 nan 8.150 nan 0.000 0.453 55 Q N -0.071 119.628 119.800 -0.169 0.000 2.435 55 Q HA 0.009 4.348 4.340 -0.000 0.000 0.207 55 Q C 0.073 175.932 176.000 -0.236 0.000 0.956 55 Q CA 0.466 56.147 55.803 -0.203 0.000 0.917 55 Q CB -0.012 28.573 28.738 -0.254 0.000 0.997 55 Q HN 0.646 nan 8.270 nan 0.000 0.497 56 Q N 1.726 121.373 119.800 -0.255 0.000 2.293 56 Q HA 0.284 4.624 4.340 -0.000 0.000 0.251 56 Q C -1.905 174.024 176.000 -0.119 0.000 0.930 56 Q CA -1.606 54.069 55.803 -0.213 0.000 0.893 56 Q CB 0.138 28.772 28.738 -0.173 0.000 1.215 56 Q HN 0.110 nan 8.270 nan 0.000 0.425 57 P HA 0.192 nan 4.420 nan 0.000 0.282 57 P C -0.861 176.359 177.300 -0.133 0.000 1.249 57 P CA -0.405 62.623 63.100 -0.120 0.000 0.806 57 P CB 1.004 32.652 31.700 -0.086 0.000 0.984 58 Q N 0.143 119.845 119.800 -0.163 0.000 2.230 58 Q HA 0.264 4.604 4.340 -0.000 0.000 0.248 58 Q C -0.120 175.825 176.000 -0.091 0.000 0.915 58 Q CA -0.629 55.095 55.803 -0.132 0.000 0.900 58 Q CB 1.162 29.814 28.738 -0.143 0.000 1.229 58 Q HN 0.521 nan 8.270 nan 0.000 0.439 59 C N 3.213 122.487 119.300 -0.043 0.000 2.409 59 C HA -0.076 4.384 4.460 -0.000 0.000 0.399 59 C C 1.783 176.789 174.990 0.027 0.000 1.505 59 C CA 0.442 59.454 59.018 -0.009 0.000 1.435 59 C CB -0.874 26.870 27.740 0.007 0.000 2.462 59 C HN 0.925 nan 8.230 nan 0.000 0.619 60 K N 3.825 124.232 120.400 0.012 0.000 2.148 60 K HA -0.087 4.233 4.320 -0.000 0.000 0.204 60 K C 1.717 178.384 176.600 0.112 0.000 1.050 60 K CA 1.530 57.852 56.287 0.059 0.000 0.942 60 K CB -0.039 32.470 32.500 0.015 0.000 0.724 60 K HN 0.863 nan 8.250 nan 0.000 0.446 61 I N 0.289 120.895 120.570 0.061 0.000 2.142 61 I HA -0.205 3.965 4.170 -0.000 0.000 0.240 61 I C 2.444 178.595 176.117 0.058 0.000 1.078 61 I CA 1.575 62.904 61.300 0.048 0.000 1.343 61 I CB -0.620 37.395 38.000 0.024 0.000 1.046 61 I HN 0.320 nan 8.210 nan 0.000 0.405 62 G N -0.373 108.465 108.800 0.064 0.000 2.432 62 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.219 62 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.219 62 G C 1.665 176.618 174.900 0.087 0.000 1.135 62 G CA 0.639 45.777 45.100 0.063 0.000 0.767 62 G HN 0.433 nan 8.290 nan 0.000 0.550 63 Y N 1.223 121.513 120.300 -0.016 0.000 2.352 63 Y HA 0.036 4.586 4.550 -0.000 0.000 0.292 63 Y C 2.311 178.192 175.900 -0.031 0.000 1.136 63 Y CA 1.642 59.728 58.100 -0.023 0.000 1.227 63 Y CB 0.220 38.666 38.460 -0.023 0.000 0.991 63 Y HN 0.338 nan 8.280 nan 0.000 0.545 64 E N -0.841 119.365 120.200 0.011 0.000 2.479 64 E HA 0.188 4.538 4.350 -0.000 0.000 0.193 64 E C 1.334 177.891 176.600 -0.071 0.000 1.049 64 E CA 0.446 56.798 56.400 -0.080 0.000 0.870 64 E CB 0.218 29.925 29.700 0.012 0.000 0.944 64 E HN 0.594 nan 8.360 nan 0.000 0.492 65 G N 2.017 110.789 108.800 -0.047 0.000 2.175 65 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.244 65 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.244 65 G C 0.778 175.671 174.900 -0.012 0.000 0.982 65 G CA 0.386 45.466 45.100 -0.033 0.000 0.641 65 G HN 0.392 nan 8.290 nan 0.000 0.527 66 I N -1.684 118.883 120.570 -0.005 0.000 3.974 66 I HA 0.492 4.662 4.170 -0.000 0.000 0.334 66 I C 0.967 177.081 176.117 -0.006 0.000 1.437 66 I CA -0.558 60.735 61.300 -0.012 0.000 1.113 66 I CB 0.256 38.248 38.000 -0.014 0.000 1.063 66 I HN 0.211 nan 8.210 nan 0.000 0.400 67 C N 1.784 121.091 119.300 0.011 0.000 2.273 67 C HA 0.659 5.119 4.460 -0.000 0.000 0.328 67 C C 0.343 175.361 174.990 0.047 0.000 1.275 67 C CA -0.647 58.384 59.018 0.022 0.000 1.704 67 C CB 0.273 28.029 27.740 0.027 0.000 2.326 67 C HN 0.687 nan 8.230 nan 0.000 0.517 68 C N 7.443 126.772 119.300 0.049 0.000 2.351 68 C HA 0.693 5.153 4.460 -0.000 0.000 0.326 68 C C 0.572 175.638 174.990 0.127 0.000 1.272 68 C CA -0.500 58.581 59.018 0.106 0.000 1.650 68 C CB 0.184 27.949 27.740 0.042 0.000 2.257 68 C HN 1.015 nan 8.230 nan 0.000 0.505 69 R N 3.966 124.590 120.500 0.207 0.000 2.698 69 R HA 0.168 4.508 4.340 -0.000 0.000 0.422 69 R C -0.206 176.135 176.300 0.069 0.000 1.073 69 R CA -0.163 55.994 56.100 0.095 0.000 1.054 69 R CB 0.140 30.453 30.300 0.023 0.000 1.373 69 R HN 0.669 nan 8.270 nan 0.000 0.593 70 F N 0.614 120.536 119.950 -0.047 0.000 2.748 70 F HA 0.007 4.534 4.527 -0.000 0.000 0.299 70 F C 1.360 177.100 175.800 -0.100 0.000 1.154 70 F CA -0.167 57.794 58.000 -0.064 0.000 1.446 70 F CB 0.249 39.208 39.000 -0.068 0.000 1.112 70 F HN 0.214 nan 8.300 nan 0.000 0.584 71 C N -2.151 117.170 119.300 0.035 0.000 3.291 71 C HA 0.471 4.930 4.460 -0.000 0.000 0.316 71 C C 0.940 175.921 174.990 -0.014 0.000 1.391 71 C CA -1.055 57.948 59.018 -0.025 0.000 1.394 71 C CB 0.695 28.401 27.740 -0.057 0.000 1.744 71 C HN 0.222 nan 8.230 nan 0.000 0.461 72 M N 1.836 121.426 119.600 -0.015 0.000 2.682 72 M HA 0.110 4.590 4.480 -0.000 0.000 0.235 72 M C 1.769 178.067 176.300 -0.004 0.000 1.114 72 M CA 0.939 56.233 55.300 -0.010 0.000 1.053 72 M CB -0.188 32.408 32.600 -0.007 0.000 1.599 72 M HN 0.903 nan 8.290 nan 0.000 0.520 73 A N 0.406 123.224 122.820 -0.003 0.000 2.072 73 A HA 0.299 4.619 4.320 -0.000 0.000 0.216 73 A C 1.494 179.077 177.584 -0.001 0.000 1.156 73 A CA 0.802 52.838 52.037 -0.002 0.000 0.701 73 A CB -0.526 18.473 19.000 -0.002 0.000 0.816 73 A HN 0.474 nan 8.150 nan 0.000 0.458 74 G N -0.128 108.673 108.800 0.002 0.000 2.494 74 G HA2 0.463 4.423 3.960 -0.000 0.000 0.270 74 G HA3 0.463 4.423 3.960 -0.000 0.000 0.270 74 G C -2.370 172.531 174.900 0.001 0.000 1.423 74 G CA -0.948 44.155 45.100 0.005 0.000 1.055 74 G HN 0.237 nan 8.290 nan 0.000 0.536 75 P HA 0.338 nan 4.420 nan 0.000 0.268 75 P C -0.694 176.609 177.300 0.005 0.000 1.205 75 P CA -0.244 62.862 63.100 0.010 0.000 0.771 75 P CB 0.701 32.407 31.700 0.009 0.000 0.858 76 C N 1.887 121.191 119.300 0.007 0.000 2.435 76 C HA 0.917 5.377 4.460 -0.000 0.000 0.333 76 C C 0.681 175.667 174.990 -0.006 0.000 1.202 76 C CA -0.305 58.710 59.018 -0.005 0.000 1.830 76 C CB 1.124 28.857 27.740 -0.013 0.000 2.326 76 C HN 0.759 nan 8.230 nan 0.000 0.507 77 R N 1.798 122.290 120.500 -0.014 0.000 2.686 77 R HA 0.762 5.102 4.340 -0.000 0.000 0.283 77 R C -0.981 175.302 176.300 -0.028 0.000 0.978 77 R CA -0.547 55.544 56.100 -0.016 0.000 0.897 77 R CB 0.569 30.864 30.300 -0.008 0.000 1.192 77 R HN 0.731 nan 8.270 nan 0.000 0.457 78 I N 3.240 123.789 120.570 -0.035 0.000 2.421 78 I HA 0.129 4.299 4.170 -0.000 0.000 0.291 78 I C 0.675 176.775 176.117 -0.029 0.000 1.089 78 I CA 0.246 61.519 61.300 -0.045 0.000 1.354 78 I CB 0.975 38.941 38.000 -0.058 0.000 1.413 78 I HN 0.822 nan 8.210 nan 0.000 0.513 79 K N 4.288 124.671 120.400 -0.028 0.000 2.334 79 K HA 0.374 4.694 4.320 -0.000 0.000 0.195 79 K C 0.488 177.078 176.600 -0.017 0.000 1.045 79 K CA 0.300 56.576 56.287 -0.019 0.000 1.004 79 K CB 0.784 33.274 32.500 -0.018 0.000 0.837 79 K HN 0.708 nan 8.250 nan 0.000 0.510 80 A N -0.286 122.521 122.820 -0.022 0.000 2.602 80 A HA 0.290 4.610 4.320 -0.000 0.000 0.290 80 A C 0.270 177.842 177.584 -0.020 0.000 1.114 80 A CA -0.530 51.496 52.037 -0.017 0.000 0.683 80 A CB 1.247 20.238 19.000 -0.015 0.000 1.281 80 A HN -0.082 nan 8.150 nan 0.000 0.416 81 T N -0.598 113.950 114.554 -0.010 0.000 3.088 81 T HA 0.238 4.588 4.350 -0.000 0.000 0.259 81 T C 0.143 174.838 174.700 -0.009 0.000 1.122 81 T CA 1.758 63.855 62.100 -0.006 0.000 1.095 81 T CB -0.796 68.078 68.868 0.010 0.000 0.930 81 T HN 0.915 nan 8.240 nan 0.000 0.508 82 D N -2.297 118.096 120.400 -0.012 0.000 2.665 82 D HA 0.555 5.195 4.640 -0.000 0.000 0.287 82 D C 0.111 176.403 176.300 -0.015 0.000 1.266 82 D CA -0.148 53.845 54.000 -0.012 0.000 0.830 82 D CB 0.637 41.437 40.800 -0.000 0.000 1.356 82 D HN 0.238 nan 8.370 nan 0.000 0.437 83 G N -0.393 108.399 108.800 -0.014 0.000 2.685 83 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.387 83 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.387 83 G C -2.002 172.885 174.900 -0.021 0.000 1.324 83 G CA -0.393 44.698 45.100 -0.014 0.000 0.878 83 G HN 0.660 nan 8.290 nan 0.000 0.527 84 P HA 0.121 nan 4.420 nan 0.000 0.242 84 P C 1.240 178.524 177.300 -0.027 0.000 1.197 84 P CA 1.672 64.759 63.100 -0.022 0.000 0.765 84 P CB -0.041 31.649 31.700 -0.016 0.000 0.936 85 G N 0.134 108.917 108.800 -0.028 0.000 3.277 85 G HA2 0.027 3.987 3.960 -0.000 0.000 0.243 85 G HA3 0.027 3.987 3.960 -0.000 0.000 0.243 85 G C 1.148 176.022 174.900 -0.043 0.000 1.107 85 G CA 0.220 45.301 45.100 -0.031 0.000 0.771 85 G HN 0.362 nan 8.290 nan 0.000 0.544 86 S N -0.553 115.115 115.700 -0.052 0.000 2.548 86 S HA 0.356 4.826 4.470 -0.000 0.000 0.215 86 S C 0.944 175.476 174.600 -0.115 0.000 0.976 86 S CA -0.438 57.718 58.200 -0.073 0.000 0.908 86 S CB 0.595 63.757 63.200 -0.063 0.000 0.781 86 S HN 0.277 nan 8.310 nan 0.000 0.519 87 R N -0.067 120.370 120.500 -0.104 0.000 2.912 87 R HA 0.666 5.006 4.340 -0.000 0.000 0.262 87 R C 0.417 176.660 176.300 -0.094 0.000 1.057 87 R CA -0.565 55.457 56.100 -0.130 0.000 0.981 87 R CB 1.048 31.273 30.300 -0.124 0.000 1.201 87 R HN 0.237 nan 8.270 nan 0.000 0.484 88 G N 0.271 109.013 108.800 -0.097 0.000 2.634 88 G HA2 0.157 4.117 3.960 -0.000 0.000 0.255 88 G HA3 0.157 4.117 3.960 -0.000 0.000 0.255 88 G C 1.046 175.916 174.900 -0.050 0.000 1.205 88 G CA -0.526 44.535 45.100 -0.066 0.000 0.884 88 G HN 0.577 nan 8.290 nan 0.000 0.549 89 I N 0.128 120.678 120.570 -0.034 0.000 2.248 89 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 89 I C 2.791 178.894 176.117 -0.023 0.000 1.107 89 I CA 1.799 63.084 61.300 -0.024 0.000 1.373 89 I CB -0.270 37.721 38.000 -0.015 0.000 1.055 89 I HN 0.623 nan 8.210 nan 0.000 0.418 90 C N 0.069 119.355 119.300 -0.025 0.000 2.491 90 C HA 0.416 4.876 4.460 -0.000 0.000 0.277 90 C C 1.866 176.841 174.990 -0.026 0.000 1.455 90 C CA -0.135 58.872 59.018 -0.018 0.000 1.758 90 C CB -1.065 26.665 27.740 -0.015 0.000 1.745 90 C HN 0.752 nan 8.230 nan 0.000 0.558 91 G N 0.104 108.878 108.800 -0.044 0.000 2.176 91 G HA2 0.102 4.062 3.960 -0.000 0.000 0.232 91 G HA3 0.102 4.062 3.960 -0.000 0.000 0.232 91 G C 0.270 175.114 174.900 -0.094 0.000 0.986 91 G CA 0.165 45.230 45.100 -0.058 0.000 0.643 91 G HN 1.545 nan 8.290 nan 0.000 0.522 92 A N 0.593 123.352 122.820 -0.101 0.000 2.546 92 A HA 0.601 4.921 4.320 -0.000 0.000 0.243 92 A C 1.022 178.455 177.584 -0.252 0.000 1.063 92 A CA 1.195 53.144 52.037 -0.148 0.000 0.757 92 A CB 0.221 19.143 19.000 -0.131 0.000 0.991 92 A HN 1.210 nan 8.150 nan 0.000 0.503 93 S N 1.468 116.916 115.700 -0.419 0.000 2.614 93 S HA 0.405 4.875 4.470 -0.000 0.000 0.265 93 S C 1.727 175.908 174.600 -0.700 0.000 1.303 93 S CA -0.133 57.612 58.200 -0.757 0.000 1.000 93 S CB 1.318 63.588 63.200 -1.549 0.000 0.935 93 S HN 1.183 nan 8.310 nan 0.000 0.551 94 A N 1.101 123.555 122.820 -0.610 0.000 1.948 94 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 94 A C 1.827 179.316 177.584 -0.159 0.000 1.177 94 A CA 2.018 53.880 52.037 -0.292 0.000 0.636 94 A CB -1.055 17.855 19.000 -0.151 0.000 0.815 94 A HN 1.037 nan 8.150 nan 0.000 0.449 95 W N -0.603 120.697 121.300 -0.001 0.000 2.425 95 W HA 0.032 4.692 4.660 -0.000 0.000 0.277 95 W C 1.582 178.092 176.519 -0.014 0.000 1.231 95 W CA 1.300 58.649 57.345 0.006 0.000 1.248 95 W CB -1.401 28.071 29.460 0.020 0.000 1.117 95 W HN 0.075 nan 8.180 nan 0.000 0.568 96 T N 1.911 116.483 114.554 0.029 0.000 2.812 96 T HA -0.095 4.255 4.350 -0.000 0.000 0.264 96 T C 1.882 176.531 174.700 -0.085 0.000 1.042 96 T CA 1.793 63.910 62.100 0.028 0.000 1.140 96 T CB -0.337 68.498 68.868 -0.056 0.000 0.870 96 T HN 0.157 nan 8.240 nan 0.000 0.445 97 I N 0.928 121.418 120.570 -0.132 0.000 2.179 97 I HA -0.160 4.010 4.170 -0.000 0.000 0.242 97 I C 2.460 178.522 176.117 -0.092 0.000 1.088 97 I CA 0.959 62.174 61.300 -0.143 0.000 1.357 97 I CB -0.425 37.505 38.000 -0.115 0.000 1.051 97 I HN 0.078 nan 8.210 nan 0.000 0.409 98 V N 1.023 120.920 119.914 -0.028 0.000 2.343 98 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 98 V C 2.683 178.784 176.094 0.011 0.000 1.051 98 V CA 2.057 64.361 62.300 0.007 0.000 1.036 98 V CB -0.978 30.878 31.823 0.054 0.000 0.654 98 V HN 0.507 nan 8.190 nan 0.000 0.451 99 A N -0.213 122.627 122.820 0.032 0.000 1.930 99 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 99 A C 2.358 179.931 177.584 -0.018 0.000 1.175 99 A CA 1.625 53.687 52.037 0.042 0.000 0.627 99 A CB -0.465 18.589 19.000 0.090 0.000 0.815 99 A HN 0.505 nan 8.150 nan 0.000 0.443 100 R N -0.219 120.200 120.500 -0.136 0.000 2.083 100 R HA -0.133 4.207 4.340 -0.000 0.000 0.237 100 R C 1.902 178.172 176.300 -0.049 0.000 1.137 100 R CA 1.607 57.525 56.100 -0.302 0.000 0.951 100 R CB -0.358 29.398 30.300 -0.906 0.000 0.851 100 R HN 0.523 nan 8.270 nan 0.000 0.434 101 N N 0.214 118.912 118.700 -0.004 0.000 2.135 101 N HA -0.125 4.615 4.740 -0.000 0.000 0.186 101 N C 1.833 177.386 175.510 0.072 0.000 1.027 101 N CA 0.993 54.105 53.050 0.103 0.000 0.849 101 N CB -0.453 38.070 38.487 0.059 0.000 1.002 101 N HN 0.035 nan 8.380 nan 0.000 0.425 102 V N 1.263 121.193 119.914 0.027 0.000 2.358 102 V HA -0.078 4.042 4.120 -0.000 0.000 0.246 102 V C 2.134 178.259 176.094 0.051 0.000 1.047 102 V CA 2.233 64.541 62.300 0.014 0.000 1.035 102 V CB -0.971 30.840 31.823 -0.020 0.000 0.658 102 V HN 0.339 nan 8.190 nan 0.000 0.452 103 G N -0.050 108.791 108.800 0.069 0.000 2.442 103 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 103 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 103 G C 1.595 176.565 174.900 0.117 0.000 1.141 103 G CA 1.038 46.193 45.100 0.091 0.000 0.763 103 G HN 0.467 nan 8.290 nan 0.000 0.554 104 L N 0.079 121.399 121.223 0.161 0.000 2.042 104 L HA -0.039 4.301 4.340 -0.000 0.000 0.210 104 L C 2.760 179.685 176.870 0.091 0.000 1.076 104 L CA 1.902 56.843 54.840 0.168 0.000 0.749 104 L CB -0.525 41.673 42.059 0.231 0.000 0.893 104 L HN 0.304 nan 8.230 nan 0.000 0.432 105 M N -0.498 119.144 119.600 0.070 0.000 2.077 105 M HA -0.249 4.231 4.480 -0.000 0.000 0.261 105 M C 2.269 178.593 176.300 0.040 0.000 1.070 105 M CA 1.755 57.078 55.300 0.038 0.000 1.125 105 M CB -0.446 32.165 32.600 0.018 0.000 1.339 105 M HN 0.168 nan 8.290 nan 0.000 0.409 106 I N 0.591 121.194 120.570 0.055 0.000 2.185 106 I HA -0.358 3.812 4.170 -0.000 0.000 0.246 106 I C 2.334 178.494 176.117 0.071 0.000 1.088 106 I CA 1.519 62.861 61.300 0.070 0.000 1.347 106 I CB -0.492 37.557 38.000 0.082 0.000 1.041 106 I HN 0.291 nan 8.210 nan 0.000 0.415 107 L N 0.107 121.373 121.223 0.072 0.000 2.012 107 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 107 L C 2.871 179.771 176.870 0.051 0.000 1.073 107 L CA 2.190 57.072 54.840 0.070 0.000 0.748 107 L CB -1.035 41.075 42.059 0.085 0.000 0.891 107 L HN 0.462 nan 8.230 nan 0.000 0.431 108 T N -3.282 111.292 114.554 0.034 0.000 2.788 108 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 108 T C 1.878 176.566 174.700 -0.020 0.000 1.044 108 T CA 1.089 63.192 62.100 0.005 0.000 1.139 108 T CB -0.914 67.950 68.868 -0.007 0.000 0.867 108 T HN 0.408 nan 8.240 nan 0.000 0.454 109 G N 1.258 110.051 108.800 -0.011 0.000 2.404 109 G HA2 0.138 4.098 3.960 -0.000 0.000 0.215 109 G HA3 0.138 4.098 3.960 -0.000 0.000 0.215 109 G C 1.961 176.867 174.900 0.010 0.000 1.174 109 G CA 0.777 45.849 45.100 -0.047 0.000 0.780 109 G HN 0.724 nan 8.290 nan 0.000 0.537 110 A N 1.285 124.158 122.820 0.089 0.000 1.883 110 A HA 0.208 4.528 4.320 -0.000 0.000 0.217 110 A C 2.822 180.462 177.584 0.094 0.000 1.186 110 A CA 2.452 54.562 52.037 0.121 0.000 0.624 110 A CB -0.884 18.168 19.000 0.085 0.000 0.822 110 A HN 0.815 nan 8.150 nan 0.000 0.444 111 A N -0.287 122.572 122.820 0.066 0.000 1.902 111 A HA 0.160 4.480 4.320 -0.000 0.000 0.217 111 A C 2.505 180.124 177.584 0.058 0.000 1.181 111 A CA 2.160 54.242 52.037 0.076 0.000 0.623 111 A CB -0.986 18.054 19.000 0.066 0.000 0.818 111 A HN 1.051 nan 8.150 nan 0.000 0.443 112 A N -0.860 121.954 122.820 -0.010 0.000 1.873 112 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 112 A C 1.942 179.532 177.584 0.011 0.000 1.186 112 A CA 1.708 53.710 52.037 -0.058 0.000 0.616 112 A CB -0.958 17.929 19.000 -0.187 0.000 0.823 112 A HN 0.723 nan 8.150 nan 0.000 0.442 113 H N -1.746 117.359 119.070 0.058 0.000 2.387 113 H HA -0.166 4.390 4.556 -0.000 0.000 0.299 113 H C 2.374 177.748 175.328 0.078 0.000 1.090 113 H CA 1.226 57.308 56.048 0.057 0.000 1.332 113 H CB -0.136 29.648 29.762 0.035 0.000 1.386 113 H HN 0.633 nan 8.280 nan 0.000 0.516 114 C N 1.124 120.548 119.300 0.206 0.000 2.429 114 C HA -0.142 4.318 4.460 -0.000 0.000 0.277 114 C C 2.760 177.846 174.990 0.160 0.000 1.262 114 C CA 1.308 60.455 59.018 0.215 0.000 1.733 114 C CB -0.599 27.205 27.740 0.107 0.000 2.010 114 C HN 0.600 nan 8.230 nan 0.000 0.483 115 E N -0.332 119.949 120.200 0.135 0.000 2.110 115 E HA -0.274 4.076 4.350 -0.000 0.000 0.193 115 E C 1.910 178.587 176.600 0.128 0.000 0.988 115 E CA 1.866 58.315 56.400 0.081 0.000 0.804 115 E CB -0.743 28.989 29.700 0.053 0.000 0.745 115 E HN 0.933 nan 8.360 nan 0.000 0.458 116 H N -0.976 118.146 119.070 0.086 0.000 2.293 116 H HA -0.065 4.491 4.556 -0.000 0.000 0.300 116 H C 2.009 177.402 175.328 0.108 0.000 1.082 116 H CA 1.599 57.729 56.048 0.137 0.000 1.308 116 H CB -0.199 29.659 29.762 0.159 0.000 1.375 116 H HN 0.228 nan 8.280 nan 0.000 0.495 117 G N -0.138 108.812 108.800 0.251 0.000 2.421 117 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.216 117 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.216 117 G C 1.555 176.454 174.900 -0.003 0.000 1.171 117 G CA 0.831 46.027 45.100 0.161 0.000 0.775 117 G HN 0.560 nan 8.290 nan 0.000 0.543 118 N N -0.738 117.677 118.700 -0.475 0.000 2.120 118 N HA -0.169 4.571 4.740 -0.000 0.000 0.188 118 N C 1.978 177.360 175.510 -0.212 0.000 1.024 118 N CA 1.085 53.549 53.050 -0.977 0.000 0.852 118 N CB -0.291 37.572 38.487 -1.041 0.000 1.003 118 N HN 0.595 nan 8.380 nan 0.000 0.424 119 H N 0.051 119.035 119.070 -0.143 0.000 2.321 119 H HA -0.052 4.504 4.556 -0.000 0.000 0.300 119 H C 2.095 177.456 175.328 0.054 0.000 1.087 119 H CA 1.362 57.394 56.048 -0.026 0.000 1.319 119 H CB 0.122 29.886 29.762 0.003 0.000 1.379 119 H HN 0.244 nan 8.280 nan 0.000 0.501 120 I N 0.556 121.195 120.570 0.115 0.000 2.315 120 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 120 I C 2.898 179.104 176.117 0.148 0.000 1.117 120 I CA 0.737 62.081 61.300 0.074 0.000 1.404 120 I CB -0.347 37.769 38.000 0.193 0.000 1.071 120 I HN 0.331 nan 8.210 nan 0.000 0.419 121 A N 0.472 123.437 122.820 0.242 0.000 1.908 121 A HA -0.325 3.995 4.320 -0.000 0.000 0.218 121 A C 2.193 179.847 177.584 0.116 0.000 1.181 121 A CA 2.275 54.505 52.037 0.322 0.000 0.627 121 A CB -1.063 18.142 19.000 0.342 0.000 0.818 121 A HN 0.545 nan 8.150 nan 0.000 0.445 122 H N -0.065 119.012 119.070 0.011 0.000 2.319 122 H HA -0.009 4.547 4.556 -0.000 0.000 0.299 122 H C 2.152 177.444 175.328 -0.060 0.000 1.092 122 H CA 2.152 58.193 56.048 -0.012 0.000 1.302 122 H CB -0.280 29.491 29.762 0.015 0.000 1.373 122 H HN 0.389 nan 8.280 nan 0.000 0.497 123 A N 0.499 123.266 122.820 -0.089 0.000 1.902 123 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 123 A C 2.422 179.815 177.584 -0.318 0.000 1.181 123 A CA 1.611 53.489 52.037 -0.264 0.000 0.623 123 A CB -0.959 17.827 19.000 -0.357 0.000 0.818 123 A HN 0.511 nan 8.150 nan 0.000 0.443 124 L N -0.169 120.890 121.223 -0.273 0.000 2.046 124 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 124 L C 2.346 179.055 176.870 -0.269 0.000 1.077 124 L CA 1.854 56.504 54.840 -0.317 0.000 0.747 124 L CB -0.413 41.360 42.059 -0.476 0.000 0.896 124 L HN 0.144 nan 8.230 nan 0.000 0.432 125 V N -0.193 119.576 119.914 -0.243 0.000 2.307 125 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 125 V C 2.649 178.616 176.094 -0.212 0.000 1.045 125 V CA 1.768 63.949 62.300 -0.198 0.000 1.024 125 V CB -0.711 31.018 31.823 -0.156 0.000 0.651 125 V HN 0.453 nan 8.190 nan 0.000 0.449 126 E N -0.361 119.659 120.200 -0.300 0.000 2.058 126 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 126 E C 2.155 178.667 176.600 -0.147 0.000 0.997 126 E CA 1.545 57.798 56.400 -0.244 0.000 0.801 126 E CB -0.459 29.067 29.700 -0.291 0.000 0.746 126 E HN 0.456 nan 8.360 nan 0.000 0.450 127 M N 0.915 120.422 119.600 -0.155 0.000 2.065 127 M HA -0.150 4.330 4.480 -0.000 0.000 0.259 127 M C 2.200 178.454 176.300 -0.077 0.000 1.069 127 M CA 2.035 57.284 55.300 -0.085 0.000 1.110 127 M CB -0.734 31.814 32.600 -0.087 0.000 1.328 127 M HN 0.031 nan 8.290 nan 0.000 0.405 128 A N -0.079 122.678 122.820 -0.106 0.000 2.024 128 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 128 A C 1.737 179.283 177.584 -0.064 0.000 1.164 128 A CA 1.827 53.813 52.037 -0.086 0.000 0.643 128 A CB -0.759 18.180 19.000 -0.102 0.000 0.806 128 A HN 0.766 nan 8.150 nan 0.000 0.451 129 E N -1.693 118.466 120.200 -0.069 0.000 2.465 129 E HA 0.309 4.659 4.350 -0.000 0.000 0.191 129 E C 0.961 177.538 176.600 -0.039 0.000 1.053 129 E CA 0.207 56.576 56.400 -0.051 0.000 0.869 129 E CB -0.015 29.650 29.700 -0.058 0.000 0.977 129 E HN 0.715 nan 8.360 nan 0.000 0.483 130 G N 2.070 110.849 108.800 -0.035 0.000 2.141 130 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.242 130 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.242 130 G C 0.743 175.634 174.900 -0.015 0.000 0.982 130 G CA 0.373 45.460 45.100 -0.021 0.000 0.662 130 G HN 0.250 nan 8.290 nan 0.000 0.527 131 K N -0.190 120.196 120.400 -0.023 0.000 2.358 131 K HA 0.597 4.917 4.320 -0.000 0.000 0.197 131 K C 0.888 177.490 176.600 0.003 0.000 1.025 131 K CA 0.648 56.925 56.287 -0.016 0.000 1.104 131 K CB 1.035 33.516 32.500 -0.033 0.000 0.855 131 K HN 0.716 nan 8.250 nan 0.000 0.531 132 A N 1.918 124.755 122.820 0.028 0.000 3.266 132 A HA 0.251 4.571 4.320 -0.000 0.000 0.310 132 A C -2.268 175.405 177.584 0.148 0.000 1.066 132 A CA -0.859 51.248 52.037 0.116 0.000 0.839 132 A CB 0.425 19.501 19.000 0.127 0.000 1.192 132 A HN -0.083 nan 8.150 nan 0.000 0.496 133 P HA -0.087 nan 4.420 nan 0.000 0.230 133 P C 0.057 177.350 177.300 -0.013 0.000 1.158 133 P CA 0.871 63.985 63.100 0.024 0.000 0.769 133 P CB 0.290 31.991 31.700 0.002 0.000 0.807 134 D N -1.283 119.084 120.400 -0.056 0.000 2.363 134 D HA -0.013 4.627 4.640 -0.000 0.000 0.226 134 D C 0.383 176.422 176.300 -0.435 0.000 1.020 134 D CA 0.723 54.570 54.000 -0.254 0.000 0.892 134 D CB -0.203 40.382 40.800 -0.358 0.000 0.900 134 D HN 0.299 nan 8.370 nan 0.000 0.531 135 Y N 0.063 120.368 120.300 0.009 0.000 2.587 135 Y HA 0.449 4.999 4.550 -0.000 0.000 0.337 135 Y C 0.768 176.637 175.900 -0.051 0.000 1.065 135 Y CA -0.941 57.153 58.100 -0.011 0.000 1.126 135 Y CB 1.882 40.313 38.460 -0.049 0.000 1.279 135 Y HN -0.254 nan 8.280 nan 0.000 0.489 136 S N -1.438 114.302 115.700 0.067 0.000 2.611 136 S HA 0.536 5.006 4.470 -0.000 0.000 0.268 136 S C -1.858 172.711 174.600 -0.052 0.000 1.156 136 S CA -1.131 57.068 58.200 -0.002 0.000 0.817 136 S CB 0.849 64.048 63.200 -0.002 0.000 1.122 136 S HN 0.341 nan 8.310 nan 0.000 0.466 137 V N 2.716 122.597 119.914 -0.056 0.000 2.370 137 V HA 0.255 4.375 4.120 -0.000 0.000 0.257 137 V C 1.092 177.164 176.094 -0.036 0.000 1.064 137 V CA -0.035 62.225 62.300 -0.066 0.000 0.975 137 V CB 0.119 31.906 31.823 -0.060 0.000 1.067 137 V HN 0.901 nan 8.190 nan 0.000 0.485 138 K N 1.989 122.368 120.400 -0.034 0.000 2.361 138 K HA 0.070 4.390 4.320 -0.000 0.000 0.196 138 K C 0.348 176.955 176.600 0.012 0.000 1.039 138 K CA 0.359 56.648 56.287 0.002 0.000 1.001 138 K CB 0.372 32.892 32.500 0.034 0.000 0.795 138 K HN 0.556 nan 8.250 nan 0.000 0.495 139 D N 1.006 121.409 120.400 0.004 0.000 2.378 139 D HA 0.082 4.722 4.640 -0.000 0.000 0.265 139 D C 0.113 176.423 176.300 0.016 0.000 1.229 139 D CA 0.009 54.022 54.000 0.021 0.000 0.914 139 D CB 0.791 41.616 40.800 0.042 0.000 1.140 139 D HN -0.004 nan 8.370 nan 0.000 0.516 140 E N 1.126 121.333 120.200 0.011 0.000 2.106 140 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 140 E C 1.831 178.442 176.600 0.019 0.000 0.984 140 E CA 0.896 57.301 56.400 0.008 0.000 0.806 140 E CB 0.297 29.999 29.700 0.004 0.000 0.750 140 E HN 0.479 nan 8.360 nan 0.000 0.458 141 A N 1.730 124.565 122.820 0.025 0.000 1.902 141 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 141 A C 2.093 179.703 177.584 0.044 0.000 1.181 141 A CA 1.753 53.809 52.037 0.031 0.000 0.623 141 A CB -0.319 18.700 19.000 0.032 0.000 0.818 141 A HN 0.011 nan 8.150 nan 0.000 0.443 142 K N -0.391 120.042 120.400 0.054 0.000 2.063 142 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 142 K C 1.790 178.441 176.600 0.086 0.000 1.048 142 K CA 1.574 57.908 56.287 0.078 0.000 0.928 142 K CB -0.512 32.043 32.500 0.092 0.000 0.713 142 K HN 0.364 nan 8.250 nan 0.000 0.442 143 L N 1.116 122.376 121.223 0.062 0.000 2.017 143 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 143 L C 1.661 178.565 176.870 0.057 0.000 1.073 143 L CA 1.915 56.789 54.840 0.057 0.000 0.745 143 L CB -0.428 41.636 42.059 0.009 0.000 0.894 143 L HN 0.106 nan 8.230 nan 0.000 0.432 144 K N -0.678 119.744 120.400 0.037 0.000 2.097 144 K HA -0.207 4.113 4.320 -0.000 0.000 0.205 144 K C 2.070 178.687 176.600 0.028 0.000 1.050 144 K CA 1.374 57.678 56.287 0.027 0.000 0.938 144 K CB -0.143 32.367 32.500 0.018 0.000 0.718 144 K HN 0.316 nan 8.250 nan 0.000 0.442 145 E N 1.042 121.264 120.200 0.038 0.000 2.077 145 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 145 E C 1.763 178.378 176.600 0.026 0.000 0.989 145 E CA 1.068 57.486 56.400 0.031 0.000 0.800 145 E CB -0.051 29.676 29.700 0.044 0.000 0.746 145 E HN -0.002 nan 8.360 nan 0.000 0.452 146 V N -0.140 119.815 119.914 0.067 0.000 2.358 146 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 146 V C 2.543 178.646 176.094 0.016 0.000 1.047 146 V CA 1.626 63.970 62.300 0.073 0.000 1.035 146 V CB -0.574 31.397 31.823 0.246 0.000 0.658 146 V HN 0.471 nan 8.190 nan 0.000 0.452 147 C N -0.056 119.273 119.300 0.049 0.000 2.413 147 C HA -0.184 4.276 4.460 -0.000 0.000 0.277 147 C C 2.943 177.915 174.990 -0.029 0.000 1.228 147 C CA 1.247 60.279 59.018 0.023 0.000 1.731 147 C CB -1.115 26.644 27.740 0.032 0.000 2.042 147 C HN 0.514 nan 8.230 nan 0.000 0.468 148 R N 0.168 120.652 120.500 -0.027 0.000 2.083 148 R HA -0.146 4.194 4.340 -0.000 0.000 0.237 148 R C 2.461 178.712 176.300 -0.080 0.000 1.137 148 R CA 1.469 57.544 56.100 -0.042 0.000 0.951 148 R CB -0.419 29.866 30.300 -0.026 0.000 0.851 148 R HN 0.513 nan 8.270 nan 0.000 0.434 149 R N 0.846 121.283 120.500 -0.104 0.000 2.117 149 R HA -0.129 4.211 4.340 -0.000 0.000 0.243 149 R C 1.906 178.062 176.300 -0.240 0.000 1.143 149 R CA 1.825 57.826 56.100 -0.165 0.000 0.968 149 R CB -0.058 30.127 30.300 -0.193 0.000 0.863 149 R HN 0.302 nan 8.270 nan 0.000 0.444 150 V N -3.448 116.300 119.914 -0.277 0.000 3.647 150 V HA 0.404 4.524 4.120 -0.000 0.000 0.279 150 V C 0.840 176.832 176.094 -0.169 0.000 1.314 150 V CA 0.589 62.691 62.300 -0.331 0.000 1.125 150 V CB 0.312 31.797 31.823 -0.564 0.000 0.907 150 V HN 0.437 nan 8.190 nan 0.000 0.434 151 G N 0.806 109.539 108.800 -0.113 0.000 2.141 151 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.231 151 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.231 151 G C -0.077 174.801 174.900 -0.037 0.000 0.984 151 G CA 0.161 45.220 45.100 -0.067 0.000 0.660 151 G HN 0.601 nan 8.290 nan 0.000 0.525 152 I N 1.195 121.748 120.570 -0.029 0.000 2.496 152 I HA 0.300 4.470 4.170 -0.000 0.000 0.285 152 I C 0.808 176.921 176.117 -0.006 0.000 1.080 152 I CA -0.447 60.851 61.300 -0.003 0.000 1.404 152 I CB 1.038 39.049 38.000 0.019 0.000 1.403 152 I HN 0.226 nan 8.210 nan 0.000 0.539 153 E N 5.710 125.908 120.200 -0.003 0.000 2.290 153 E HA 0.097 4.447 4.350 -0.000 0.000 0.277 153 E C 0.060 176.660 176.600 0.000 0.000 1.035 153 E CA -0.009 56.389 56.400 -0.003 0.000 0.873 153 E CB 1.251 30.950 29.700 -0.002 0.000 1.029 153 E HN 0.422 nan 8.360 nan 0.000 0.419 154 V N 3.796 123.710 119.914 -0.001 0.000 2.992 154 V HA 0.021 4.141 4.120 -0.000 0.000 0.250 154 V C 0.876 176.970 176.094 0.000 0.000 1.090 154 V CA 0.416 62.717 62.300 0.001 0.000 1.101 154 V CB -0.298 31.526 31.823 0.002 0.000 0.743 154 V HN 0.690 nan 8.190 nan 0.000 0.468 155 E N 0.664 120.863 120.200 -0.001 0.000 2.452 155 E HA 0.157 4.507 4.350 -0.000 0.000 0.261 155 E C 1.275 177.874 176.600 -0.001 0.000 0.987 155 E CA 1.003 57.403 56.400 -0.001 0.000 0.926 155 E CB 0.758 30.457 29.700 -0.001 0.000 0.934 155 E HN 0.485 nan 8.360 nan 0.000 0.452 156 G N 3.884 112.684 108.800 -0.001 0.000 2.162 156 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.260 156 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.260 156 G C 0.136 175.035 174.900 -0.001 0.000 0.976 156 G CA 0.819 45.918 45.100 -0.001 0.000 0.655 156 G HN 0.462 nan 8.290 nan 0.000 0.533 157 K N 0.681 121.080 120.400 -0.002 0.000 2.156 157 K HA 0.628 4.948 4.320 -0.000 0.000 0.254 157 K C 0.776 177.373 176.600 -0.005 0.000 0.950 157 K CA -0.025 56.261 56.287 -0.003 0.000 0.849 157 K CB 1.602 34.100 32.500 -0.002 0.000 1.100 157 K HN 0.346 nan 8.250 nan 0.000 0.434 158 S N 0.132 115.827 115.700 -0.007 0.000 2.645 158 S HA 0.092 4.562 4.470 -0.000 0.000 0.266 158 S C 1.405 175.997 174.600 -0.013 0.000 1.258 158 S CA -0.849 57.345 58.200 -0.010 0.000 0.990 158 S CB 1.019 64.212 63.200 -0.011 0.000 0.967 158 S HN 0.296 nan 8.310 nan 0.000 0.556 159 V N 1.497 121.402 119.914 -0.016 0.000 2.252 159 V HA -0.211 3.909 4.120 -0.000 0.000 0.249 159 V C 2.445 178.520 176.094 -0.033 0.000 1.056 159 V CA 2.212 64.499 62.300 -0.022 0.000 1.022 159 V CB -1.282 30.528 31.823 -0.022 0.000 0.641 159 V HN 0.808 nan 8.190 nan 0.000 0.445 160 L N -0.425 120.778 121.223 -0.033 0.000 2.042 160 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 160 L C 2.565 179.410 176.870 -0.040 0.000 1.076 160 L CA 1.798 56.613 54.840 -0.042 0.000 0.749 160 L CB -0.794 41.243 42.059 -0.036 0.000 0.893 160 L HN 0.402 nan 8.230 nan 0.000 0.432 161 E N 0.351 120.535 120.200 -0.027 0.000 2.077 161 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 161 E C 2.369 178.957 176.600 -0.020 0.000 0.989 161 E CA 1.081 57.469 56.400 -0.020 0.000 0.800 161 E CB -0.174 29.519 29.700 -0.011 0.000 0.746 161 E HN 0.451 nan 8.360 nan 0.000 0.452 162 L N 0.567 121.779 121.223 -0.019 0.000 2.046 162 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 162 L C 2.621 179.470 176.870 -0.034 0.000 1.077 162 L CA 1.049 55.881 54.840 -0.014 0.000 0.747 162 L CB -0.561 41.492 42.059 -0.010 0.000 0.896 162 L HN 0.167 nan 8.230 nan 0.000 0.432 163 A N -0.320 122.459 122.820 -0.069 0.000 1.902 163 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 163 A C 2.268 179.769 177.584 -0.138 0.000 1.181 163 A CA 1.857 53.812 52.037 -0.137 0.000 0.623 163 A CB -0.605 18.305 19.000 -0.149 0.000 0.818 163 A HN 0.495 nan 8.150 nan 0.000 0.443 164 Q N -0.441 119.306 119.800 -0.088 0.000 2.061 164 Q HA -0.260 4.080 4.340 -0.000 0.000 0.204 164 Q C 2.059 178.044 176.000 -0.025 0.000 0.984 164 Q CA 2.123 57.887 55.803 -0.065 0.000 0.846 164 Q CB -0.199 28.513 28.738 -0.044 0.000 0.902 164 Q HN 0.791 nan 8.270 nan 0.000 0.421 165 E N -0.792 119.406 120.200 -0.003 0.000 2.072 165 E HA -0.143 4.207 4.350 -0.000 0.000 0.190 165 E C 1.986 178.642 176.600 0.093 0.000 0.982 165 E CA 1.020 57.444 56.400 0.038 0.000 0.803 165 E CB 0.007 29.727 29.700 0.034 0.000 0.755 165 E HN 0.297 nan 8.360 nan 0.000 0.453 166 V N 0.342 120.315 119.914 0.098 0.000 2.515 166 V HA -0.114 4.006 4.120 -0.000 0.000 0.250 166 V C 2.054 178.319 176.094 0.285 0.000 1.058 166 V CA 2.150 64.600 62.300 0.250 0.000 1.064 166 V CB -0.485 31.486 31.823 0.246 0.000 0.675 166 V HN 0.498 nan 8.190 nan 0.000 0.461 167 G N -0.802 108.005 108.800 0.012 0.000 2.421 167 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 167 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 167 G C 1.396 176.384 174.900 0.146 0.000 1.171 167 G CA 0.971 46.069 45.100 -0.004 0.000 0.775 167 G HN 0.599 nan 8.290 nan 0.000 0.543 168 E N -0.022 120.244 120.200 0.110 0.000 2.106 168 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 168 E C 2.331 179.035 176.600 0.173 0.000 0.984 168 E CA 0.987 57.461 56.400 0.123 0.000 0.806 168 E CB -0.034 29.716 29.700 0.084 0.000 0.750 168 E HN 0.429 nan 8.360 nan 0.000 0.458 169 K N 0.920 121.457 120.400 0.229 0.000 2.097 169 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 169 K C 2.007 178.810 176.600 0.340 0.000 1.049 169 K CA 1.200 57.667 56.287 0.300 0.000 0.933 169 K CB -0.079 32.645 32.500 0.372 0.000 0.717 169 K HN 0.091 nan 8.250 nan 0.000 0.442 170 A N 0.846 123.797 122.820 0.219 0.000 1.930 170 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 170 A C 2.057 179.694 177.584 0.089 0.000 1.175 170 A CA 1.245 53.155 52.037 -0.212 0.000 0.627 170 A CB -0.624 18.065 19.000 -0.517 0.000 0.815 170 A HN 0.319 nan 8.150 nan 0.000 0.443 171 L N -0.563 120.804 121.223 0.239 0.000 2.127 171 L HA -0.228 4.112 4.340 -0.000 0.000 0.211 171 L C 2.477 179.503 176.870 0.259 0.000 1.089 171 L CA 1.543 56.580 54.840 0.328 0.000 0.757 171 L CB -0.615 41.577 42.059 0.223 0.000 0.899 171 L HN 0.486 nan 8.230 nan 0.000 0.434 172 E N -0.033 120.271 120.200 0.173 0.000 2.110 172 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 172 E C 1.595 178.246 176.600 0.085 0.000 0.988 172 E CA 1.176 57.657 56.400 0.134 0.000 0.804 172 E CB -0.047 29.729 29.700 0.126 0.000 0.745 172 E HN 0.445 nan 8.360 nan 0.000 0.458 173 D N -0.250 120.147 120.400 -0.005 0.000 2.219 173 D HA -0.111 4.529 4.640 -0.000 0.000 0.205 173 D C 1.360 177.476 176.300 -0.307 0.000 0.970 173 D CA 0.828 54.716 54.000 -0.187 0.000 0.851 173 D CB -0.092 40.505 40.800 -0.338 0.000 0.943 173 D HN 0.173 nan 8.370 nan 0.000 0.488 174 F N 0.284 120.223 119.950 -0.019 0.000 2.335 174 F HA 0.124 4.651 4.527 -0.000 0.000 0.296 174 F C 2.447 178.325 175.800 0.130 0.000 1.091 174 F CA 0.456 58.447 58.000 -0.014 0.000 1.399 174 F CB 0.163 39.181 39.000 0.031 0.000 1.067 174 F HN -0.197 nan 8.300 nan 0.000 0.520 175 R N 0.030 120.697 120.500 0.279 0.000 2.161 175 R HA 0.045 4.385 4.340 -0.000 0.000 0.213 175 R C 1.001 177.408 176.300 0.180 0.000 1.055 175 R CA -0.009 56.225 56.100 0.223 0.000 0.996 175 R CB -0.149 30.256 30.300 0.174 0.000 0.901 175 R HN 0.103 nan 8.270 nan 0.000 0.456 176 R N 1.684 122.277 120.500 0.156 0.000 2.570 176 R HA 0.060 4.400 4.340 -0.000 0.000 0.277 176 R C -0.279 176.166 176.300 0.241 0.000 1.039 176 R CA 0.141 56.340 56.100 0.164 0.000 1.065 176 R CB 0.375 30.764 30.300 0.148 0.000 0.964 176 R HN 0.001 nan 8.270 nan 0.000 0.428 177 L N 3.108 124.437 121.223 0.177 0.000 2.416 177 L HA 0.327 4.667 4.340 -0.000 0.000 0.262 177 L C 0.479 177.301 176.870 -0.080 0.000 1.093 177 L CA -0.837 54.084 54.840 0.135 0.000 0.801 177 L CB 0.809 42.893 42.059 0.042 0.000 1.191 177 L HN 0.592 nan 8.230 nan 0.000 0.459 178 K N 0.586 120.658 120.400 -0.546 0.000 2.473 178 K HA 0.018 4.338 4.320 -0.000 0.000 0.277 178 K C 0.872 177.152 176.600 -0.534 0.000 1.052 178 K CA 1.188 56.720 56.287 -1.258 0.000 1.114 178 K CB -0.076 31.925 32.500 -0.832 0.000 0.869 178 K HN 0.846 nan 8.250 nan 0.000 0.481 179 G N 3.430 111.964 108.800 -0.442 0.000 2.195 179 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.246 179 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.246 179 G C 0.450 175.303 174.900 -0.078 0.000 0.984 179 G CA 0.371 45.362 45.100 -0.181 0.000 0.633 179 G HN 0.764 nan 8.290 nan 0.000 0.525 180 E N 0.359 120.527 120.200 -0.053 0.000 2.479 180 E HA 0.436 4.786 4.350 -0.000 0.000 0.193 180 E C 1.441 178.072 176.600 0.051 0.000 1.049 180 E CA 0.536 56.943 56.400 0.012 0.000 0.870 180 E CB 0.353 30.072 29.700 0.033 0.000 0.944 180 E HN 1.292 nan 8.360 nan 0.000 0.492 181 G N 1.210 110.053 108.800 0.072 0.000 2.255 181 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.216 181 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.216 181 G C -1.401 173.576 174.900 0.128 0.000 1.307 181 G CA -0.963 44.188 45.100 0.086 0.000 1.162 181 G HN 0.106 nan 8.290 nan 0.000 0.494 182 E N -0.008 120.246 120.200 0.091 0.000 2.266 182 E HA 0.592 4.942 4.350 -0.000 0.000 0.268 182 E C 0.112 176.736 176.600 0.040 0.000 0.879 182 E CA -0.459 55.985 56.400 0.074 0.000 0.762 182 E CB 2.239 31.973 29.700 0.056 0.000 1.199 182 E HN 1.077 nan 8.360 nan 0.000 0.422 183 A N 2.191 125.014 122.820 0.005 0.000 2.545 183 A HA 0.040 4.360 4.320 -0.000 0.000 0.253 183 A C 1.101 178.682 177.584 -0.005 0.000 1.074 183 A CA 0.134 52.155 52.037 -0.027 0.000 0.760 183 A CB -0.130 18.812 19.000 -0.097 0.000 1.005 183 A HN 0.709 nan 8.150 nan 0.000 0.506 184 T N 2.640 117.214 114.554 0.033 0.000 2.720 184 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 184 T C 1.361 175.983 174.700 -0.130 0.000 1.037 184 T CA 1.357 63.437 62.100 -0.033 0.000 1.144 184 T CB -0.136 68.728 68.868 -0.006 0.000 0.864 184 T HN 0.815 nan 8.240 nan 0.000 0.444 185 W N 0.817 121.980 121.300 -0.229 0.000 2.595 185 W HA 0.105 4.765 4.660 -0.000 0.000 0.257 185 W C 1.955 178.293 176.519 -0.302 0.000 1.267 185 W CA -0.017 57.136 57.345 -0.321 0.000 1.300 185 W CB -0.292 28.924 29.460 -0.406 0.000 1.120 185 W HN 0.256 nan 8.180 nan 0.000 0.618 186 L N 0.318 121.518 121.223 -0.038 0.000 2.034 186 L HA -0.134 4.206 4.340 -0.000 0.000 0.203 186 L C 2.237 179.101 176.870 -0.011 0.000 1.074 186 L CA 1.780 56.635 54.840 0.026 0.000 0.748 186 L CB -0.972 41.098 42.059 0.018 0.000 0.905 186 L HN -0.280 nan 8.230 nan 0.000 0.439 187 M N -0.586 118.987 119.600 -0.044 0.000 2.319 187 M HA -0.012 4.468 4.480 -0.000 0.000 0.265 187 M C 1.933 178.172 176.300 -0.101 0.000 1.068 187 M CA 1.567 56.841 55.300 -0.042 0.000 1.118 187 M CB -1.750 30.834 32.600 -0.026 0.000 1.395 187 M HN 0.554 nan 8.290 nan 0.000 0.435 188 T N -3.268 111.176 114.554 -0.183 0.000 3.107 188 T HA 0.066 4.416 4.350 -0.000 0.000 0.249 188 T C 1.292 175.844 174.700 -0.247 0.000 1.096 188 T CA 0.959 62.916 62.100 -0.238 0.000 1.012 188 T CB -0.590 68.064 68.868 -0.356 0.000 0.977 188 T HN 0.429 nan 8.240 nan 0.000 0.527 189 T N -0.032 114.393 114.554 -0.214 0.000 3.040 189 T HA 0.461 4.811 4.350 -0.000 0.000 0.266 189 T C 0.479 175.142 174.700 -0.061 0.000 1.005 189 T CA -0.731 61.262 62.100 -0.178 0.000 0.906 189 T CB -0.514 68.153 68.868 -0.336 0.000 1.082 189 T HN 0.695 nan 8.240 nan 0.000 0.531 190 I N -0.430 120.099 120.570 -0.069 0.000 2.910 190 I HA 0.686 4.856 4.170 -0.000 0.000 0.310 190 I C -0.572 175.493 176.117 -0.086 0.000 1.043 190 I CA -1.485 59.769 61.300 -0.078 0.000 1.053 190 I CB 1.699 39.654 38.000 -0.075 0.000 1.242 190 I HN -0.024 nan 8.210 nan 0.000 0.452 191 N N 2.279 120.919 118.700 -0.101 0.000 2.379 191 N HA 0.099 4.839 4.740 -0.000 0.000 0.260 191 N C 0.394 175.841 175.510 -0.104 0.000 1.254 191 N CA -0.201 52.793 53.050 -0.093 0.000 0.958 191 N CB 0.478 38.911 38.487 -0.090 0.000 1.208 191 N HN 0.664 nan 8.380 nan 0.000 0.532 192 E N 0.031 120.181 120.200 -0.085 0.000 2.106 192 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 192 E C 1.764 178.303 176.600 -0.102 0.000 0.984 192 E CA 1.380 57.733 56.400 -0.079 0.000 0.806 192 E CB -0.943 28.723 29.700 -0.057 0.000 0.750 192 E HN 0.849 nan 8.360 nan 0.000 0.458 193 G N 2.142 110.877 108.800 -0.108 0.000 2.491 193 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 193 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 193 G C 1.671 176.431 174.900 -0.234 0.000 1.180 193 G CA 0.654 45.679 45.100 -0.126 0.000 0.774 193 G HN 0.125 nan 8.290 nan 0.000 0.562 194 R N 0.547 120.849 120.500 -0.329 0.000 2.092 194 R HA 0.040 4.380 4.340 -0.000 0.000 0.231 194 R C 2.572 178.454 176.300 -0.697 0.000 1.119 194 R CA 1.111 56.802 56.100 -0.681 0.000 0.970 194 R CB -0.639 29.288 30.300 -0.621 0.000 0.864 194 R HN 0.392 nan 8.270 nan 0.000 0.440 195 K N 0.747 120.967 120.400 -0.300 0.000 2.009 195 K HA -0.230 4.090 4.320 -0.000 0.000 0.210 195 K C 2.083 178.634 176.600 -0.080 0.000 1.049 195 K CA 1.959 58.176 56.287 -0.116 0.000 0.929 195 K CB -0.158 32.305 32.500 -0.061 0.000 0.714 195 K HN 0.185 nan 8.250 nan 0.000 0.440 196 E N 1.491 121.634 120.200 -0.096 0.000 2.038 196 E HA -0.282 4.068 4.350 -0.000 0.000 0.195 196 E C 1.903 178.486 176.600 -0.029 0.000 1.000 196 E CA 1.781 58.157 56.400 -0.040 0.000 0.803 196 E CB -0.076 29.599 29.700 -0.040 0.000 0.750 196 E HN 0.026 nan 8.360 nan 0.000 0.448 197 K N 0.162 120.464 120.400 -0.164 0.000 2.059 197 K HA -0.169 4.151 4.320 -0.000 0.000 0.212 197 K C 1.901 178.506 176.600 0.010 0.000 1.050 197 K CA 2.232 58.396 56.287 -0.205 0.000 0.927 197 K CB -0.712 31.515 32.500 -0.455 0.000 0.714 197 K HN 0.385 nan 8.250 nan 0.000 0.447 198 F N -0.178 119.787 119.950 0.024 0.000 2.206 198 F HA -0.028 4.498 4.527 -0.000 0.000 0.298 198 F C 2.352 178.215 175.800 0.105 0.000 1.090 198 F CA 0.410 58.443 58.000 0.056 0.000 1.323 198 F CB -0.064 38.936 39.000 0.000 0.000 1.028 198 F HN -0.026 nan 8.300 nan 0.000 0.492 199 R N 0.392 121.046 120.500 0.255 0.000 2.070 199 R HA -0.136 4.204 4.340 -0.000 0.000 0.233 199 R C 2.406 178.822 176.300 0.193 0.000 1.137 199 R CA 2.134 58.344 56.100 0.184 0.000 0.945 199 R CB -1.052 29.317 30.300 0.115 0.000 0.845 199 R HN 0.303 nan 8.270 nan 0.000 0.430 200 T N -1.645 113.033 114.554 0.207 0.000 2.849 200 T HA -0.168 4.182 4.350 -0.000 0.000 0.270 200 T C 1.466 176.293 174.700 0.211 0.000 1.066 200 T CA 1.272 63.490 62.100 0.197 0.000 1.130 200 T CB -0.341 68.637 68.868 0.184 0.000 0.864 200 T HN 0.412 nan 8.240 nan 0.000 0.481 201 H N 0.667 119.839 119.070 0.170 0.000 2.551 201 H HA 0.241 4.797 4.556 -0.000 0.000 0.271 201 H C 0.867 176.372 175.328 0.294 0.000 0.984 201 H CA 0.052 56.248 56.048 0.248 0.000 1.164 201 H CB 0.071 29.945 29.762 0.187 0.000 1.437 201 H HN 0.351 nan 8.280 nan 0.000 0.550 202 N N 1.160 120.049 118.700 0.316 0.000 2.738 202 N HA -0.177 4.563 4.740 -0.000 0.000 0.249 202 N C 0.300 175.962 175.510 0.253 0.000 1.047 202 N CA 0.763 53.966 53.050 0.255 0.000 0.707 202 N CB -1.401 37.221 38.487 0.224 0.000 0.937 202 N HN 0.301 nan 8.380 nan 0.000 0.545 203 V N -3.222 116.816 119.914 0.206 0.000 3.253 203 V HA 0.437 4.557 4.120 -0.000 0.000 0.320 203 V C 0.691 176.742 176.094 -0.072 0.000 1.442 203 V CA -0.229 62.105 62.300 0.056 0.000 1.097 203 V CB 0.639 32.424 31.823 -0.064 0.000 1.008 203 V HN 0.068 nan 8.190 nan 0.000 0.463 204 V N 4.882 124.821 119.914 0.042 0.000 2.485 204 V HA 0.230 4.350 4.120 -0.000 0.000 0.287 204 V C -1.667 174.405 176.094 -0.037 0.000 1.022 204 V CA -0.858 61.446 62.300 0.005 0.000 1.067 204 V CB 0.553 32.437 31.823 0.102 0.000 0.967 204 V HN 0.434 nan 8.190 nan 0.000 0.479 205 P HA 0.111 nan 4.420 nan 0.000 0.271 205 P C 0.184 177.372 177.300 -0.186 0.000 1.216 205 P CA -0.041 62.873 63.100 -0.309 0.000 0.771 205 P CB 0.634 32.142 31.700 -0.320 0.000 0.864 206 F N 1.680 121.619 119.950 -0.018 0.000 2.085 206 F HA 0.378 4.905 4.527 -0.000 0.000 0.284 206 F C 1.314 177.100 175.800 -0.023 0.000 1.127 206 F CA 0.359 58.355 58.000 -0.006 0.000 1.164 206 F CB -1.324 37.684 39.000 0.014 0.000 1.035 206 F HN 0.303 nan 8.300 nan 0.000 0.481 207 G N -0.501 108.305 108.800 0.009 0.000 2.482 207 G HA2 0.553 4.513 3.960 -0.000 0.000 0.317 207 G HA3 0.553 4.513 3.960 -0.000 0.000 0.317 207 G C 0.162 174.950 174.900 -0.188 0.000 1.241 207 G CA -0.673 44.416 45.100 -0.018 0.000 0.967 207 G HN 0.272 nan 8.290 nan 0.000 0.482 208 I N -0.014 120.418 120.570 -0.229 0.000 2.133 208 I HA -0.149 4.021 4.170 -0.000 0.000 0.238 208 I C 2.415 178.437 176.117 -0.159 0.000 1.074 208 I CA 1.254 62.386 61.300 -0.279 0.000 1.342 208 I CB -0.317 37.426 38.000 -0.428 0.000 1.053 208 I HN 0.619 nan 8.210 nan 0.000 0.404 209 H N 0.420 119.546 119.070 0.094 0.000 2.353 209 H HA -0.097 4.459 4.556 -0.000 0.000 0.300 209 H C 2.257 177.631 175.328 0.077 0.000 1.090 209 H CA 1.373 57.480 56.048 0.098 0.000 1.327 209 H CB -0.141 29.695 29.762 0.124 0.000 1.383 209 H HN 0.373 nan 8.280 nan 0.000 0.508 210 A N 0.040 122.989 122.820 0.215 0.000 2.014 210 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 210 A C 2.314 180.005 177.584 0.178 0.000 1.163 210 A CA 1.381 53.573 52.037 0.258 0.000 0.652 210 A CB -0.282 18.961 19.000 0.405 0.000 0.808 210 A HN 0.315 nan 8.150 nan 0.000 0.449 211 S N -0.091 115.513 115.700 -0.161 0.000 2.387 211 S HA -0.043 4.427 4.470 -0.000 0.000 0.226 211 S C 1.758 176.312 174.600 -0.078 0.000 1.026 211 S CA 1.193 59.173 58.200 -0.368 0.000 0.972 211 S CB -0.395 62.445 63.200 -0.601 0.000 0.814 211 S HN 0.569 nan 8.310 nan 0.000 0.477 212 I N 1.093 121.653 120.570 -0.018 0.000 2.179 212 I HA -0.173 3.997 4.170 -0.000 0.000 0.242 212 I C 2.691 178.864 176.117 0.093 0.000 1.088 212 I CA 1.158 62.487 61.300 0.049 0.000 1.357 212 I CB -0.426 37.620 38.000 0.075 0.000 1.051 212 I HN 0.291 nan 8.210 nan 0.000 0.409 213 S N 0.370 116.142 115.700 0.120 0.000 2.383 213 S HA -0.267 4.203 4.470 -0.000 0.000 0.229 213 S C 1.972 176.655 174.600 0.140 0.000 1.030 213 S CA 1.984 60.261 58.200 0.129 0.000 1.002 213 S CB -0.226 63.056 63.200 0.137 0.000 0.829 213 S HN 0.435 nan 8.310 nan 0.000 0.467 214 E N 0.857 121.157 120.200 0.166 0.000 2.051 214 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 214 E C 1.899 178.590 176.600 0.150 0.000 0.991 214 E CA 1.346 57.858 56.400 0.186 0.000 0.799 214 E CB -0.677 29.199 29.700 0.294 0.000 0.748 214 E HN 0.482 nan 8.360 nan 0.000 0.449 215 L N -0.252 121.049 121.223 0.130 0.000 2.093 215 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 215 L C 2.207 179.162 176.870 0.141 0.000 1.085 215 L CA 1.294 56.209 54.840 0.124 0.000 0.755 215 L CB -0.483 41.639 42.059 0.105 0.000 0.904 215 L HN 0.119 nan 8.230 nan 0.000 0.435 216 V N 0.501 120.502 119.914 0.145 0.000 2.332 216 V HA -0.339 3.781 4.120 -0.000 0.000 0.248 216 V C 2.457 178.663 176.094 0.187 0.000 1.055 216 V CA 1.948 64.351 62.300 0.172 0.000 1.038 216 V CB -1.189 30.717 31.823 0.139 0.000 0.651 216 V HN 0.670 nan 8.190 nan 0.000 0.450 217 N N 0.621 119.413 118.700 0.154 0.000 2.036 217 N HA -0.263 4.477 4.740 -0.000 0.000 0.195 217 N C 1.901 177.507 175.510 0.161 0.000 1.037 217 N CA 2.117 55.253 53.050 0.144 0.000 0.855 217 N CB -0.351 38.201 38.487 0.108 0.000 1.033 217 N HN 0.566 nan 8.380 nan 0.000 0.423 218 Q N -1.065 118.819 119.800 0.140 0.000 2.297 218 Q HA -0.022 4.318 4.340 -0.000 0.000 0.208 218 Q C 1.580 177.646 176.000 0.111 0.000 0.981 218 Q CA 1.284 57.160 55.803 0.121 0.000 0.876 218 Q CB -0.146 28.658 28.738 0.109 0.000 0.921 218 Q HN 0.595 nan 8.270 nan 0.000 0.446 219 A N -0.168 122.732 122.820 0.132 0.000 2.178 219 A HA -0.042 4.278 4.320 -0.000 0.000 0.211 219 A C 0.427 178.103 177.584 0.153 0.000 1.157 219 A CA -0.113 51.963 52.037 0.066 0.000 0.780 219 A CB -0.341 18.749 19.000 0.150 0.000 0.828 219 A HN 0.358 nan 8.150 nan 0.000 0.476 220 H N 0.178 119.334 119.070 0.144 0.000 2.948 220 H HA 0.170 4.726 4.556 -0.000 0.000 0.351 220 H C 0.813 176.200 175.328 0.099 0.000 1.079 220 H CA -0.140 55.998 56.048 0.151 0.000 1.407 220 H CB 0.309 30.134 29.762 0.106 0.000 1.373 220 H HN 0.272 nan 8.280 nan 0.000 0.605 221 M N 4.473 123.874 119.600 -0.331 0.000 2.323 221 M HA -0.059 4.421 4.480 -0.000 0.000 0.386 221 M C 0.791 177.176 176.300 0.142 0.000 1.525 221 M CA 1.854 57.088 55.300 -0.111 0.000 0.914 221 M CB -1.277 31.208 32.600 -0.191 0.000 2.042 221 M HN 1.081 nan 8.290 nan 0.000 0.483 222 G N 4.604 113.458 108.800 0.089 0.000 2.182 222 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.248 222 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.248 222 G C 0.266 175.234 174.900 0.113 0.000 1.042 222 G CA 0.473 45.632 45.100 0.098 0.000 0.775 222 G HN 0.630 nan 8.290 nan 0.000 0.501 223 M N -0.587 119.081 119.600 0.113 0.000 2.276 223 M HA 0.356 4.836 4.480 -0.000 0.000 0.202 223 M C 0.648 176.993 176.300 0.075 0.000 1.530 223 M CA -0.041 55.319 55.300 0.100 0.000 1.810 223 M CB -0.815 31.861 32.600 0.128 0.000 1.057 223 M HN 0.102 nan 8.290 nan 0.000 0.864 224 D N 1.156 121.601 120.400 0.074 0.000 2.345 224 D HA 0.123 4.763 4.640 -0.000 0.000 0.247 224 D C -0.327 176.025 176.300 0.086 0.000 1.108 224 D CA 0.433 54.479 54.000 0.076 0.000 0.894 224 D CB 0.684 41.531 40.800 0.078 0.000 1.203 224 D HN 0.350 nan 8.370 nan 0.000 0.430 225 N N 1.494 120.265 118.700 0.118 0.000 2.194 225 N HA -0.002 4.738 4.740 -0.000 0.000 0.231 225 N C -1.112 174.587 175.510 0.315 0.000 1.247 225 N CA -0.311 52.857 53.050 0.197 0.000 0.884 225 N CB 0.515 39.098 38.487 0.160 0.000 1.146 225 N HN 0.279 nan 8.380 nan 0.000 0.516 226 D N 0.627 121.127 120.400 0.166 0.000 2.280 226 D HA 0.157 4.797 4.640 -0.000 0.000 0.243 226 D C -1.661 174.644 176.300 0.008 0.000 1.129 226 D CA -1.841 52.197 54.000 0.064 0.000 0.848 226 D CB 1.970 42.770 40.800 -0.001 0.000 1.107 226 D HN 0.141 nan 8.370 nan 0.000 0.471 227 P HA -0.091 nan 4.420 nan 0.000 0.220 227 P C 1.568 178.812 177.300 -0.093 0.000 1.152 227 P CA 0.382 63.400 63.100 -0.136 0.000 0.812 227 P CB 0.515 31.945 31.700 -0.451 0.000 0.792 228 V N 0.533 120.332 119.914 -0.191 0.000 2.427 228 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 228 V C 2.537 178.438 176.094 -0.321 0.000 1.051 228 V CA 2.156 64.285 62.300 -0.285 0.000 1.048 228 V CB -1.791 29.771 31.823 -0.435 0.000 0.666 228 V HN 0.113 nan 8.190 nan 0.000 0.456 229 N N 0.234 118.819 118.700 -0.191 0.000 2.120 229 N HA -0.101 4.639 4.740 -0.000 0.000 0.188 229 N C 1.705 177.261 175.510 0.077 0.000 1.024 229 N CA 1.377 54.387 53.050 -0.068 0.000 0.852 229 N CB -0.245 38.226 38.487 -0.027 0.000 1.003 229 N HN 0.399 nan 8.380 nan 0.000 0.424 230 L N -0.636 120.635 121.223 0.080 0.000 2.056 230 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 230 L C 2.030 179.000 176.870 0.166 0.000 1.078 230 L CA 0.647 55.558 54.840 0.118 0.000 0.749 230 L CB -0.215 41.909 42.059 0.108 0.000 0.901 230 L HN 0.076 nan 8.230 nan 0.000 0.433 231 V N -0.977 119.059 119.914 0.203 0.000 2.453 231 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 231 V C 2.247 178.586 176.094 0.409 0.000 1.048 231 V CA 1.428 63.898 62.300 0.282 0.000 1.049 231 V CB -0.524 31.486 31.823 0.312 0.000 0.672 231 V HN 0.226 nan 8.190 nan 0.000 0.457 232 F N 0.333 120.360 119.950 0.128 0.000 2.171 232 F HA -0.126 4.401 4.527 -0.000 0.000 0.300 232 F C 2.772 178.622 175.800 0.083 0.000 1.090 232 F CA 1.447 59.532 58.000 0.142 0.000 1.293 232 F CB -1.172 37.939 39.000 0.184 0.000 1.013 232 F HN 0.110 nan 8.300 nan 0.000 0.486 233 S N -0.271 115.593 115.700 0.274 0.000 2.368 233 S HA -0.140 4.330 4.470 -0.000 0.000 0.225 233 S C 2.362 177.022 174.600 0.099 0.000 1.030 233 S CA 1.110 59.408 58.200 0.163 0.000 0.999 233 S CB -0.499 62.792 63.200 0.152 0.000 0.844 233 S HN 0.292 nan 8.310 nan 0.000 0.459 234 A N 1.153 124.040 122.820 0.111 0.000 1.972 234 A HA -0.008 4.312 4.320 -0.000 0.000 0.219 234 A C 2.064 179.665 177.584 0.029 0.000 1.169 234 A CA 1.358 53.443 52.037 0.080 0.000 0.635 234 A CB -0.680 18.383 19.000 0.103 0.000 0.810 234 A HN 0.625 nan 8.150 nan 0.000 0.446 235 I N -1.179 119.388 120.570 -0.006 0.000 2.315 235 I HA -0.219 3.951 4.170 -0.000 0.000 0.248 235 I C 2.683 178.676 176.117 -0.207 0.000 1.117 235 I CA 1.547 62.756 61.300 -0.151 0.000 1.404 235 I CB -0.270 37.536 38.000 -0.323 0.000 1.071 235 I HN 0.401 nan 8.210 nan 0.000 0.419 236 R N 0.806 121.222 120.500 -0.140 0.000 2.092 236 R HA -0.127 4.213 4.340 -0.000 0.000 0.231 236 R C 2.219 178.417 176.300 -0.169 0.000 1.119 236 R CA 1.303 57.298 56.100 -0.174 0.000 0.970 236 R CB -0.137 30.112 30.300 -0.085 0.000 0.864 236 R HN 0.117 nan 8.270 nan 0.000 0.440 237 V N 1.022 120.882 119.914 -0.091 0.000 2.427 237 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 237 V C 2.411 178.488 176.094 -0.028 0.000 1.051 237 V CA 1.863 64.126 62.300 -0.062 0.000 1.048 237 V CB -0.528 31.296 31.823 0.000 0.000 0.666 237 V HN 0.570 nan 8.190 nan 0.000 0.456 238 A N -0.552 122.268 122.820 -0.001 0.000 1.969 238 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 238 A C 2.161 179.783 177.584 0.064 0.000 1.169 238 A CA 1.471 53.573 52.037 0.108 0.000 0.635 238 A CB -0.412 18.654 19.000 0.110 0.000 0.810 238 A HN 0.521 nan 8.150 nan 0.000 0.445 239 L N -1.148 119.996 121.223 -0.131 0.000 2.240 239 L HA -0.063 4.277 4.340 -0.000 0.000 0.211 239 L C 2.982 179.742 176.870 -0.183 0.000 1.106 239 L CA 0.699 55.397 54.840 -0.236 0.000 0.793 239 L CB -0.383 41.411 42.059 -0.442 0.000 0.927 239 L HN 0.418 nan 8.230 nan 0.000 0.446 240 A N -0.099 122.612 122.820 -0.182 0.000 1.898 240 A HA -0.257 4.063 4.320 -0.000 0.000 0.216 240 A C 2.104 179.589 177.584 -0.164 0.000 1.181 240 A CA 1.850 53.765 52.037 -0.203 0.000 0.620 240 A CB -0.536 18.338 19.000 -0.211 0.000 0.819 240 A HN 0.454 nan 8.150 nan 0.000 0.442 241 D N -1.166 119.202 120.400 -0.055 0.000 2.087 241 D HA -0.251 4.389 4.640 -0.000 0.000 0.192 241 D C 1.818 178.042 176.300 -0.127 0.000 0.993 241 D CA 1.918 55.941 54.000 0.037 0.000 0.828 241 D CB -0.462 40.485 40.800 0.245 0.000 0.968 241 D HN 0.489 nan 8.370 nan 0.000 0.448 242 Y N 1.606 121.643 120.300 -0.439 0.000 2.114 242 Y HA -0.259 4.291 4.550 -0.000 0.000 0.282 242 Y C 2.448 178.031 175.900 -0.528 0.000 1.165 242 Y CA 2.794 60.351 58.100 -0.905 0.000 1.148 242 Y CB -0.844 36.726 38.460 -1.483 0.000 0.972 242 Y HN -0.031 nan 8.280 nan 0.000 0.504 243 T N 0.022 114.214 114.554 -0.604 0.000 2.684 243 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 243 T C 2.032 176.419 174.700 -0.522 0.000 1.036 243 T CA 1.714 63.485 62.100 -0.550 0.000 1.148 243 T CB -1.169 67.503 68.868 -0.326 0.000 0.863 243 T HN 0.618 nan 8.240 nan 0.000 0.436 244 G N 1.140 109.688 108.800 -0.420 0.000 2.422 244 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 244 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 244 G C 1.463 176.186 174.900 -0.295 0.000 1.146 244 G CA 0.651 45.581 45.100 -0.283 0.000 0.769 244 G HN 0.532 nan 8.290 nan 0.000 0.547 245 E N -0.447 119.518 120.200 -0.392 0.000 2.077 245 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 245 E C 2.249 178.611 176.600 -0.397 0.000 0.989 245 E CA 0.791 56.938 56.400 -0.422 0.000 0.800 245 E CB -0.256 29.167 29.700 -0.462 0.000 0.746 245 E HN 0.411 nan 8.360 nan 0.000 0.452 246 H N 0.877 119.599 119.070 -0.580 0.000 2.389 246 H HA -0.015 4.541 4.556 -0.000 0.000 0.299 246 H C 2.103 177.223 175.328 -0.348 0.000 1.081 246 H CA 0.995 56.788 56.048 -0.425 0.000 1.345 246 H CB 0.020 29.465 29.762 -0.527 0.000 1.393 246 H HN 0.142 nan 8.280 nan 0.000 0.520 247 I N 0.312 120.607 120.570 -0.458 0.000 2.127 247 I HA -0.289 3.881 4.170 -0.000 0.000 0.241 247 I C 2.888 178.657 176.117 -0.579 0.000 1.075 247 I CA 1.123 61.870 61.300 -0.921 0.000 1.334 247 I CB -0.470 36.890 38.000 -1.067 0.000 1.040 247 I HN 0.194 nan 8.210 nan 0.000 0.405 248 A N 0.432 123.059 122.820 -0.323 0.000 1.883 248 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 248 A C 2.394 179.948 177.584 -0.049 0.000 1.186 248 A CA 2.705 54.656 52.037 -0.143 0.000 0.624 248 A CB -1.184 17.645 19.000 -0.286 0.000 0.822 248 A HN 0.412 nan 8.150 nan 0.000 0.444 249 T N -0.035 114.455 114.554 -0.107 0.000 2.701 249 T HA -0.119 4.231 4.350 -0.000 0.000 0.263 249 T C 1.604 176.342 174.700 0.063 0.000 1.040 249 T CA 1.400 63.485 62.100 -0.024 0.000 1.147 249 T CB -0.480 68.312 68.868 -0.127 0.000 0.865 249 T HN 0.450 nan 8.240 nan 0.000 0.426 250 D N 0.708 121.152 120.400 0.073 0.000 2.126 250 D HA -0.097 4.543 4.640 -0.000 0.000 0.190 250 D C 1.792 178.316 176.300 0.373 0.000 1.001 250 D CA 1.157 55.301 54.000 0.240 0.000 0.841 250 D CB -0.307 40.703 40.800 0.350 0.000 0.949 250 D HN 0.288 nan 8.370 nan 0.000 0.446 251 F N 0.901 120.887 119.950 0.059 0.000 2.293 251 F HA 0.036 4.563 4.527 -0.000 0.000 0.297 251 F C 2.678 178.467 175.800 -0.017 0.000 1.089 251 F CA 0.190 58.194 58.000 0.006 0.000 1.377 251 F CB -0.963 38.017 39.000 -0.032 0.000 1.051 251 F HN -0.139 nan 8.300 nan 0.000 0.511 252 S N 0.117 115.975 115.700 0.262 0.000 2.368 252 S HA -0.181 4.289 4.470 -0.000 0.000 0.225 252 S C 1.584 176.332 174.600 0.245 0.000 1.030 252 S CA 1.581 59.966 58.200 0.309 0.000 0.999 252 S CB -0.268 63.154 63.200 0.370 0.000 0.844 252 S HN 0.300 nan 8.310 nan 0.000 0.459 253 D N 1.214 121.729 120.400 0.192 0.000 2.123 253 D HA 0.055 4.695 4.640 -0.000 0.000 0.200 253 D C 1.825 178.181 176.300 0.093 0.000 0.976 253 D CA 0.622 54.715 54.000 0.154 0.000 0.831 253 D CB -0.325 40.559 40.800 0.140 0.000 0.974 253 D HN 0.334 nan 8.370 nan 0.000 0.469 254 I N 0.361 120.976 120.570 0.076 0.000 2.226 254 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 254 I C 2.216 178.262 176.117 -0.118 0.000 1.100 254 I CA 0.842 62.142 61.300 -0.001 0.000 1.374 254 I CB -0.076 37.917 38.000 -0.012 0.000 1.057 254 I HN -0.022 nan 8.210 nan 0.000 0.413 255 L N -1.038 120.018 121.223 -0.279 0.000 2.240 255 L HA -0.078 4.262 4.340 -0.000 0.000 0.211 255 L C 1.595 178.104 176.870 -0.601 0.000 1.106 255 L CA 1.300 55.775 54.840 -0.608 0.000 0.793 255 L CB -0.142 41.235 42.059 -1.137 0.000 0.927 255 L HN 0.196 nan 8.230 nan 0.000 0.446 256 F N -1.183 118.819 119.950 0.087 0.000 2.784 256 F HA 0.439 4.966 4.527 -0.000 0.000 0.323 256 F C 0.995 176.824 175.800 0.049 0.000 1.085 256 F CA 0.001 58.045 58.000 0.072 0.000 1.196 256 F CB 0.891 39.941 39.000 0.084 0.000 1.053 256 F HN -0.028 nan 8.300 nan 0.000 0.578 257 G N 1.143 110.046 108.800 0.171 0.000 2.784 257 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.686 257 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.686 257 G C -0.550 174.418 174.900 0.114 0.000 1.156 257 G CA -1.166 44.002 45.100 0.113 0.000 0.757 257 G HN -0.071 nan 8.290 nan 0.000 0.642 258 T N 4.496 119.102 114.554 0.087 0.000 2.853 258 T HA 0.437 4.787 4.350 -0.000 0.000 0.298 258 T C -1.712 173.022 174.700 0.057 0.000 0.978 258 T CA 0.033 62.183 62.100 0.083 0.000 1.152 258 T CB 0.858 69.773 68.868 0.078 0.000 0.914 258 T HN 0.514 nan 8.240 nan 0.000 0.539 259 P HA 0.094 nan 4.420 nan 0.000 0.265 259 P C -0.273 177.008 177.300 -0.032 0.000 1.187 259 P CA -0.055 63.045 63.100 -0.000 0.000 0.766 259 P CB 0.459 32.156 31.700 -0.005 0.000 0.820 260 Q N 2.772 122.517 119.800 -0.091 0.000 2.399 260 Q HA 0.463 4.803 4.340 -0.000 0.000 0.276 260 Q C -2.472 173.348 176.000 -0.300 0.000 1.098 260 Q CA -2.528 53.185 55.803 -0.150 0.000 0.827 260 Q CB 0.524 29.207 28.738 -0.092 0.000 1.386 260 Q HN 0.222 nan 8.270 nan 0.000 0.443 261 P HA 0.005 nan 4.420 nan 0.000 0.261 261 P C -0.887 176.203 177.300 -0.350 0.000 1.173 261 P CA 0.289 62.973 63.100 -0.694 0.000 0.760 261 P CB 0.468 31.709 31.700 -0.764 0.000 0.783 262 V N 4.669 124.404 119.914 -0.299 0.000 2.888 262 V HA 0.378 4.498 4.120 -0.000 0.000 0.309 262 V C -1.000 175.025 176.094 -0.113 0.000 1.114 262 V CA -0.841 61.359 62.300 -0.167 0.000 0.940 262 V CB 2.681 34.417 31.823 -0.146 0.000 1.021 262 V HN 0.092 nan 8.190 nan 0.000 0.426 263 V N 5.320 125.191 119.914 -0.071 0.000 2.394 263 V HA 0.793 4.913 4.120 -0.000 0.000 0.282 263 V C 0.280 176.355 176.094 -0.033 0.000 1.031 263 V CA 0.351 62.627 62.300 -0.040 0.000 0.881 263 V CB 1.211 33.019 31.823 -0.025 0.000 0.982 263 V HN 1.027 nan 8.190 nan 0.000 0.451 264 S N 3.348 119.036 115.700 -0.020 0.000 3.121 264 S HA 0.681 5.151 4.470 -0.000 0.000 0.324 264 S C -1.266 173.332 174.600 -0.003 0.000 1.192 264 S CA -0.637 57.554 58.200 -0.015 0.000 0.937 264 S CB 1.886 65.075 63.200 -0.018 0.000 1.336 264 S HN 0.796 nan 8.310 nan 0.000 0.664 265 E N -0.680 119.520 120.200 -0.000 0.000 2.445 265 E HA 0.757 5.107 4.350 -0.000 0.000 0.273 265 E C -1.454 175.153 176.600 0.011 0.000 0.961 265 E CA -1.130 55.273 56.400 0.005 0.000 0.807 265 E CB 2.121 31.820 29.700 -0.002 0.000 1.362 265 E HN 0.705 nan 8.360 nan 0.000 0.453 266 A N 1.731 124.558 122.820 0.012 0.000 2.574 266 A HA 0.737 5.057 4.320 -0.000 0.000 0.297 266 A C -0.776 176.811 177.584 0.005 0.000 1.062 266 A CA -0.429 51.617 52.037 0.014 0.000 0.686 266 A CB 1.694 20.710 19.000 0.028 0.000 1.285 266 A HN 0.589 nan 8.150 nan 0.000 0.403 267 N N -0.678 118.022 118.700 -0.000 0.000 6.512 267 N HA -0.126 4.614 4.740 -0.000 0.000 0.413 267 N C 0.547 176.044 175.510 -0.022 0.000 1.124 267 N CA 0.572 53.617 53.050 -0.008 0.000 1.789 267 N CB -0.582 37.903 38.487 -0.004 0.000 0.749 267 N HN 0.694 nan 8.380 nan 0.000 0.431 268 M N 0.476 120.057 119.600 -0.032 0.000 2.446 268 M HA -0.027 4.453 4.480 -0.000 0.000 0.263 268 M C 1.958 178.222 176.300 -0.061 0.000 1.066 268 M CA 1.827 57.098 55.300 -0.049 0.000 1.087 268 M CB -0.451 32.115 32.600 -0.056 0.000 1.406 268 M HN 0.620 nan 8.290 nan 0.000 0.459 269 G N 0.495 109.261 108.800 -0.055 0.000 2.586 269 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.215 269 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.215 269 G C 1.445 176.317 174.900 -0.047 0.000 1.128 269 G CA 0.859 45.923 45.100 -0.060 0.000 0.774 269 G HN 0.498 nan 8.290 nan 0.000 0.543 270 V N -1.247 118.645 119.914 -0.036 0.000 2.809 270 V HA 0.228 4.348 4.120 -0.000 0.000 0.256 270 V C 1.394 177.471 176.094 -0.029 0.000 1.080 270 V CA 0.171 62.454 62.300 -0.028 0.000 1.102 270 V CB -0.669 31.143 31.823 -0.019 0.000 0.705 270 V HN 0.186 nan 8.190 nan 0.000 0.475 271 L N 1.765 122.964 121.223 -0.039 0.000 2.467 271 L HA 0.393 4.733 4.340 -0.000 0.000 0.270 271 L C 0.013 176.864 176.870 -0.032 0.000 1.205 271 L CA 0.426 55.246 54.840 -0.034 0.000 0.828 271 L CB 0.166 42.196 42.059 -0.048 0.000 1.101 271 L HN 0.236 nan 8.230 nan 0.000 0.479 272 D N 2.647 123.040 120.400 -0.013 0.000 2.620 272 D HA 0.243 4.883 4.640 -0.000 0.000 0.252 272 D C -1.942 174.375 176.300 0.028 0.000 1.207 272 D CA -1.977 52.020 54.000 -0.004 0.000 0.884 272 D CB 2.254 43.050 40.800 -0.006 0.000 1.262 272 D HN 0.109 nan 8.370 nan 0.000 0.552 273 P HA -0.031 nan 4.420 nan 0.000 0.222 273 P C 0.079 177.465 177.300 0.144 0.000 1.147 273 P CA 0.722 63.856 63.100 0.058 0.000 0.790 273 P CB 0.612 32.323 31.700 0.017 0.000 0.780 274 D N -1.034 119.444 120.400 0.130 0.000 2.363 274 D HA 0.103 4.743 4.640 -0.000 0.000 0.214 274 D C 0.872 177.247 176.300 0.125 0.000 1.093 274 D CA 0.297 54.415 54.000 0.197 0.000 0.837 274 D CB 0.350 41.212 40.800 0.104 0.000 0.948 274 D HN 0.346 nan 8.370 nan 0.000 0.507 275 Q N -0.019 119.817 119.800 0.061 0.000 2.297 275 Q HA 0.442 4.782 4.340 -0.000 0.000 0.269 275 Q C -0.414 175.504 176.000 -0.137 0.000 1.051 275 Q CA -0.930 54.802 55.803 -0.118 0.000 0.869 275 Q CB 2.858 31.553 28.738 -0.072 0.000 1.346 275 Q HN -0.155 nan 8.270 nan 0.000 0.457 276 V N 3.041 122.768 119.914 -0.311 0.000 2.415 276 V HA 0.024 4.144 4.120 -0.000 0.000 0.267 276 V C -0.168 175.945 176.094 0.032 0.000 1.042 276 V CA -0.194 62.037 62.300 -0.116 0.000 1.000 276 V CB -0.240 31.497 31.823 -0.143 0.000 1.015 276 V HN 0.582 nan 8.190 nan 0.000 0.478 277 N N 5.192 123.945 118.700 0.089 0.000 2.420 277 N HA 0.284 5.024 4.740 -0.000 0.000 0.249 277 N C -0.863 174.700 175.510 0.088 0.000 1.033 277 N CA -0.055 53.039 53.050 0.072 0.000 0.944 277 N CB 1.329 39.839 38.487 0.039 0.000 1.113 277 N HN 0.624 nan 8.380 nan 0.000 0.502 278 F N 2.989 122.925 119.950 -0.023 0.000 2.375 278 F HA 0.296 4.823 4.527 -0.000 0.000 0.361 278 F C -0.335 175.451 175.800 -0.023 0.000 1.117 278 F CA -0.851 57.136 58.000 -0.023 0.000 1.037 278 F CB 0.865 39.845 39.000 -0.032 0.000 1.192 278 F HN 0.048 nan 8.300 nan 0.000 0.452 279 V N 7.259 127.118 119.914 -0.091 0.000 2.432 279 V HA 0.238 4.358 4.120 -0.000 0.000 0.275 279 V C 0.051 176.187 176.094 0.070 0.000 1.043 279 V CA -0.646 61.656 62.300 0.002 0.000 0.925 279 V CB 1.343 33.129 31.823 -0.062 0.000 0.985 279 V HN 0.572 nan 8.190 nan 0.000 0.466 280 L N 5.608 126.919 121.223 0.146 0.000 2.262 280 L HA 0.529 4.869 4.340 -0.000 0.000 0.288 280 L C -0.368 176.589 176.870 0.146 0.000 1.035 280 L CA -0.220 54.712 54.840 0.153 0.000 0.820 280 L CB 0.578 42.708 42.059 0.117 0.000 1.204 280 L HN 0.691 nan 8.230 nan 0.000 0.424 281 H N 2.429 121.503 119.070 0.008 0.000 2.768 281 H HA 0.852 5.408 4.556 -0.000 0.000 0.371 281 H C -0.015 175.319 175.328 0.010 0.000 1.151 281 H CA -0.033 56.016 56.048 0.003 0.000 1.165 281 H CB 2.092 31.858 29.762 0.007 0.000 1.722 281 H HN 0.636 nan 8.280 nan 0.000 0.543 282 G N 2.290 111.022 108.800 -0.113 0.000 2.317 282 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.196 282 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.196 282 G C -0.547 174.223 174.900 -0.216 0.000 1.255 282 G CA 0.287 45.300 45.100 -0.146 0.000 1.243 282 G HN 0.681 nan 8.290 nan 0.000 0.535 283 H N -0.077 118.992 119.070 -0.002 0.000 3.678 283 H HA 0.289 4.845 4.556 -0.000 0.000 0.246 283 H C 0.642 175.933 175.328 -0.062 0.000 1.016 283 H CA 0.404 56.472 56.048 0.033 0.000 1.104 283 H CB 0.612 30.412 29.762 0.063 0.000 1.449 283 H HN 0.392 nan 8.280 nan 0.000 0.606 284 N N 2.869 121.538 118.700 -0.051 0.000 2.457 284 N HA 0.099 4.839 4.740 -0.000 0.000 0.250 284 N C -2.035 173.457 175.510 -0.029 0.000 0.982 284 N CA -2.046 50.916 53.050 -0.147 0.000 0.941 284 N CB 1.621 39.990 38.487 -0.196 0.000 1.120 284 N HN -0.021 nan 8.380 nan 0.000 0.505 285 P HA -0.088 nan 4.420 nan 0.000 0.239 285 P C 1.061 178.287 177.300 -0.124 0.000 1.184 285 P CA 0.590 63.619 63.100 -0.119 0.000 0.760 285 P CB 0.286 31.872 31.700 -0.189 0.000 0.884 286 L N -1.298 120.007 121.223 0.137 0.000 2.191 286 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 286 L C 2.368 179.472 176.870 0.390 0.000 1.103 286 L CA 0.963 56.011 54.840 0.347 0.000 0.769 286 L CB -0.670 41.469 42.059 0.133 0.000 0.908 286 L HN 0.069 nan 8.230 nan 0.000 0.438 287 L N -0.701 120.609 121.223 0.145 0.000 2.116 287 L HA -0.068 4.272 4.340 -0.000 0.000 0.200 287 L C 2.759 179.576 176.870 -0.089 0.000 1.084 287 L CA 1.945 56.736 54.840 -0.080 0.000 0.766 287 L CB -0.706 41.178 42.059 -0.292 0.000 0.930 287 L HN 0.240 nan 8.230 nan 0.000 0.453 288 S N -1.157 114.480 115.700 -0.104 0.000 2.383 288 S HA -0.189 4.281 4.470 -0.000 0.000 0.229 288 S C 1.798 176.301 174.600 -0.162 0.000 1.030 288 S CA 1.248 59.381 58.200 -0.112 0.000 1.002 288 S CB -0.758 62.391 63.200 -0.087 0.000 0.829 288 S HN 0.555 nan 8.310 nan 0.000 0.467 289 E N 0.918 120.962 120.200 -0.260 0.000 2.106 289 E HA -0.027 4.323 4.350 -0.000 0.000 0.192 289 E C 2.086 178.585 176.600 -0.169 0.000 0.984 289 E CA 0.825 57.028 56.400 -0.328 0.000 0.806 289 E CB -0.225 28.999 29.700 -0.793 0.000 0.750 289 E HN 0.507 nan 8.360 nan 0.000 0.458 290 I N 1.327 121.845 120.570 -0.087 0.000 2.353 290 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 290 I C 2.422 178.491 176.117 -0.079 0.000 1.119 290 I CA 0.731 61.998 61.300 -0.055 0.000 1.417 290 I CB -0.966 37.061 38.000 0.046 0.000 1.078 290 I HN 0.072 nan 8.210 nan 0.000 0.421 291 I N 0.521 121.024 120.570 -0.110 0.000 2.163 291 I HA -0.242 3.928 4.170 -0.000 0.000 0.243 291 I C 2.711 178.699 176.117 -0.215 0.000 1.085 291 I CA 1.208 62.387 61.300 -0.202 0.000 1.347 291 I CB -0.858 36.985 38.000 -0.262 0.000 1.044 291 I HN 0.043 nan 8.210 nan 0.000 0.408 292 V N 0.747 120.558 119.914 -0.172 0.000 2.282 292 V HA -0.356 3.764 4.120 -0.000 0.000 0.249 292 V C 2.607 178.627 176.094 -0.124 0.000 1.057 292 V CA 2.163 64.376 62.300 -0.145 0.000 1.032 292 V CB -0.850 30.902 31.823 -0.118 0.000 0.645 292 V HN 0.485 nan 8.190 nan 0.000 0.447 293 Q N -0.571 119.164 119.800 -0.109 0.000 2.020 293 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 293 Q C 2.326 178.271 176.000 -0.092 0.000 0.982 293 Q CA 2.008 57.758 55.803 -0.088 0.000 0.838 293 Q CB -0.364 28.324 28.738 -0.083 0.000 0.899 293 Q HN 0.655 nan 8.270 nan 0.000 0.423 294 A N 0.432 123.190 122.820 -0.103 0.000 1.933 294 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 294 A C 2.204 179.715 177.584 -0.122 0.000 1.175 294 A CA 1.646 53.622 52.037 -0.101 0.000 0.628 294 A CB -0.886 18.056 19.000 -0.097 0.000 0.814 294 A HN 0.528 nan 8.150 nan 0.000 0.444 295 A N -0.248 122.474 122.820 -0.163 0.000 1.902 295 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 295 A C 2.238 179.751 177.584 -0.118 0.000 1.181 295 A CA 1.684 53.618 52.037 -0.173 0.000 0.623 295 A CB -0.525 18.345 19.000 -0.217 0.000 0.818 295 A HN 0.554 nan 8.150 nan 0.000 0.443 296 R N 0.029 120.468 120.500 -0.102 0.000 2.105 296 R HA -0.175 4.165 4.340 -0.000 0.000 0.239 296 R C 1.620 177.880 176.300 -0.066 0.000 1.135 296 R CA 1.879 57.933 56.100 -0.077 0.000 0.967 296 R CB -0.227 30.031 30.300 -0.069 0.000 0.861 296 R HN 0.684 nan 8.270 nan 0.000 0.442 297 E N -0.732 119.428 120.200 -0.066 0.000 2.435 297 E HA -0.030 4.320 4.350 -0.000 0.000 0.195 297 E C 1.111 177.680 176.600 -0.053 0.000 1.029 297 E CA 0.372 56.739 56.400 -0.054 0.000 0.865 297 E CB 0.311 29.981 29.700 -0.049 0.000 0.833 297 E HN 0.329 nan 8.360 nan 0.000 0.510 298 M N 0.345 119.906 119.600 -0.066 0.000 2.419 298 M HA 0.106 4.586 4.480 -0.000 0.000 0.252 298 M C 1.022 177.284 176.300 -0.064 0.000 1.143 298 M CA 0.349 55.612 55.300 -0.061 0.000 0.985 298 M CB 0.483 33.040 32.600 -0.072 0.000 1.489 298 M HN 0.010 nan 8.290 nan 0.000 0.484 299 E N 0.957 121.118 120.200 -0.064 0.000 2.077 299 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 299 E C 2.018 178.583 176.600 -0.058 0.000 0.989 299 E CA 1.503 57.863 56.400 -0.067 0.000 0.800 299 E CB -0.181 29.482 29.700 -0.061 0.000 0.746 299 E HN 0.576 nan 8.360 nan 0.000 0.452 300 G N 1.842 110.615 108.800 -0.045 0.000 2.599 300 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.219 300 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.219 300 G C 1.433 176.312 174.900 -0.034 0.000 1.193 300 G CA 1.189 46.268 45.100 -0.035 0.000 0.778 300 G HN 0.321 nan 8.290 nan 0.000 0.589 301 E N 0.586 120.766 120.200 -0.032 0.000 2.160 301 E HA -0.076 4.274 4.350 -0.000 0.000 0.195 301 E C 2.921 179.499 176.600 -0.037 0.000 0.991 301 E CA 0.714 57.100 56.400 -0.025 0.000 0.810 301 E CB -0.195 29.494 29.700 -0.018 0.000 0.742 301 E HN 0.455 nan 8.360 nan 0.000 0.466 302 A N 1.661 124.441 122.820 -0.067 0.000 1.873 302 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 302 A C 1.985 179.494 177.584 -0.125 0.000 1.186 302 A CA 1.337 53.303 52.037 -0.118 0.000 0.616 302 A CB -0.199 18.710 19.000 -0.152 0.000 0.823 302 A HN 0.026 nan 8.150 nan 0.000 0.442 303 K N -0.303 120.043 120.400 -0.089 0.000 2.025 303 K HA -0.003 4.317 4.320 -0.000 0.000 0.207 303 K C 2.229 178.814 176.600 -0.026 0.000 1.049 303 K CA 1.018 57.266 56.287 -0.064 0.000 0.933 303 K CB -0.341 32.129 32.500 -0.050 0.000 0.714 303 K HN 0.407 nan 8.250 nan 0.000 0.438 304 A N 1.300 124.110 122.820 -0.016 0.000 2.084 304 A HA -0.158 4.162 4.320 -0.000 0.000 0.221 304 A C 2.118 179.716 177.584 0.024 0.000 1.161 304 A CA 1.909 53.948 52.037 0.004 0.000 0.653 304 A CB -0.547 18.454 19.000 0.002 0.000 0.802 304 A HN 0.356 nan 8.150 nan 0.000 0.457 305 A N -2.313 120.523 122.820 0.027 0.000 2.251 305 A HA 0.439 4.759 4.320 -0.000 0.000 0.209 305 A C 1.711 179.398 177.584 0.171 0.000 1.187 305 A CA 1.114 53.205 52.037 0.089 0.000 0.823 305 A CB -0.657 18.404 19.000 0.103 0.000 0.846 305 A HN 1.825 nan 8.150 nan 0.000 0.486 306 G N -2.190 106.677 108.800 0.112 0.000 2.179 306 G HA2 0.131 4.091 3.960 -0.000 0.000 0.220 306 G HA3 0.131 4.091 3.960 -0.000 0.000 0.220 306 G C 0.418 175.413 174.900 0.158 0.000 0.990 306 G CA 0.131 45.334 45.100 0.171 0.000 0.646 306 G HN 1.499 nan 8.290 nan 0.000 0.517 307 A N -0.318 122.437 122.820 -0.109 0.000 2.286 307 A HA 0.785 5.105 4.320 -0.000 0.000 0.286 307 A C 1.164 178.634 177.584 -0.190 0.000 1.097 307 A CA 0.537 52.324 52.037 -0.416 0.000 0.821 307 A CB 0.644 19.035 19.000 -1.014 0.000 1.076 307 A HN 0.112 nan 8.150 nan 0.000 0.490 308 K N 0.107 120.420 120.400 -0.146 0.000 2.366 308 K HA 0.275 4.595 4.320 -0.000 0.000 0.198 308 K C 0.826 177.362 176.600 -0.106 0.000 1.044 308 K CA 1.186 57.421 56.287 -0.086 0.000 0.973 308 K CB -0.004 32.470 32.500 -0.045 0.000 0.767 308 K HN 1.068 nan 8.250 nan 0.000 0.475 309 G N -0.951 107.752 108.800 -0.162 0.000 2.317 309 G HA2 0.262 4.222 3.960 -0.000 0.000 0.293 309 G HA3 0.262 4.222 3.960 -0.000 0.000 0.293 309 G C -1.622 173.177 174.900 -0.167 0.000 1.287 309 G CA -1.052 43.965 45.100 -0.138 0.000 0.850 309 G HN -0.041 nan 8.290 nan 0.000 0.515 310 I N 1.196 121.693 120.570 -0.122 0.000 2.312 310 I HA 0.290 4.460 4.170 -0.000 0.000 0.290 310 I C -0.345 175.734 176.117 -0.064 0.000 1.008 310 I CA -0.666 60.576 61.300 -0.098 0.000 1.226 310 I CB 1.714 39.652 38.000 -0.103 0.000 1.371 310 I HN 0.335 nan 8.210 nan 0.000 0.468 311 N N 7.802 126.483 118.700 -0.031 0.000 2.678 311 N HA 0.336 5.076 4.740 -0.000 0.000 0.231 311 N C -0.908 174.623 175.510 0.034 0.000 1.038 311 N CA -0.336 52.708 53.050 -0.009 0.000 0.932 311 N CB 0.456 38.937 38.487 -0.009 0.000 1.176 311 N HN 0.470 nan 8.380 nan 0.000 0.511 312 L N 2.895 124.127 121.223 0.016 0.000 2.410 312 L HA 0.329 4.669 4.340 -0.000 0.000 0.273 312 L C 0.161 177.054 176.870 0.039 0.000 1.144 312 L CA -0.544 54.323 54.840 0.045 0.000 0.863 312 L CB 0.372 42.416 42.059 -0.025 0.000 1.140 312 L HN 0.260 nan 8.230 nan 0.000 0.463 313 V N 0.287 120.241 119.914 0.066 0.000 3.078 313 V HA 0.979 5.099 4.120 -0.000 0.000 0.311 313 V C -0.156 175.962 176.094 0.039 0.000 1.138 313 V CA -0.555 61.764 62.300 0.032 0.000 1.007 313 V CB 1.710 33.541 31.823 0.013 0.000 1.045 313 V HN 0.707 nan 8.190 nan 0.000 0.432 314 G N 1.522 110.335 108.800 0.021 0.000 2.453 314 G HA2 0.818 4.778 3.960 -0.000 0.000 0.323 314 G HA3 0.818 4.778 3.960 -0.000 0.000 0.323 314 G C -1.297 173.607 174.900 0.006 0.000 1.198 314 G CA -0.889 44.227 45.100 0.027 0.000 0.959 314 G HN 0.867 nan 8.290 nan 0.000 0.482 315 I N -0.002 120.573 120.570 0.008 0.000 2.647 315 I HA 0.383 4.553 4.170 -0.000 0.000 0.295 315 I C 0.389 176.548 176.117 0.071 0.000 1.078 315 I CA -0.439 60.837 61.300 -0.040 0.000 1.048 315 I CB 1.893 39.712 38.000 -0.303 0.000 1.239 315 I HN 0.736 nan 8.210 nan 0.000 0.421 316 C N 2.183 121.533 119.300 0.083 0.000 0.168 316 C HA -0.276 4.184 4.460 -0.000 0.000 0.017 316 C C 2.247 177.250 174.990 0.022 0.000 0.171 316 C CA -0.084 59.002 59.018 0.114 0.000 0.499 316 C CB -1.541 26.342 27.740 0.239 0.000 3.212 316 C HN 1.055 nan 8.230 nan 0.000 1.118 317 C N -0.271 118.942 119.300 -0.145 0.000 2.446 317 C HA -0.080 4.379 4.460 -0.000 0.000 0.277 317 C C 2.726 177.696 174.990 -0.034 0.000 1.275 317 C CA 2.062 61.032 59.018 -0.080 0.000 1.727 317 C CB -1.479 26.218 27.740 -0.072 0.000 2.010 317 C HN 1.010 nan 8.230 nan 0.000 0.486 318 T N -0.063 114.431 114.554 -0.100 0.000 2.867 318 T HA -0.021 4.329 4.350 -0.000 0.000 0.268 318 T C 1.795 176.496 174.700 0.002 0.000 1.057 318 T CA 1.832 63.919 62.100 -0.023 0.000 1.136 318 T CB -0.380 68.470 68.868 -0.030 0.000 0.874 318 T HN 0.628 nan 8.240 nan 0.000 0.466 319 G N 1.298 110.111 108.800 0.021 0.000 2.418 319 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 319 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 319 G C 1.736 176.657 174.900 0.036 0.000 1.158 319 G CA 0.597 45.716 45.100 0.032 0.000 0.771 319 G HN 0.439 nan 8.290 nan 0.000 0.545 320 N N 0.734 119.473 118.700 0.066 0.000 2.166 320 N HA -0.070 4.670 4.740 -0.000 0.000 0.186 320 N C 2.170 177.692 175.510 0.019 0.000 1.019 320 N CA 0.912 54.012 53.050 0.083 0.000 0.856 320 N CB -0.181 38.414 38.487 0.181 0.000 0.993 320 N HN 0.350 nan 8.380 nan 0.000 0.426 321 E N 0.542 120.762 120.200 0.033 0.000 2.058 321 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 321 E C 2.097 178.680 176.600 -0.028 0.000 0.997 321 E CA 1.218 57.629 56.400 0.019 0.000 0.801 321 E CB -0.339 29.378 29.700 0.029 0.000 0.746 321 E HN 0.386 nan 8.360 nan 0.000 0.450 322 V N -0.337 119.552 119.914 -0.041 0.000 2.951 322 V HA -0.080 4.040 4.120 -0.000 0.000 0.255 322 V C 2.383 178.446 176.094 -0.052 0.000 1.088 322 V CA 0.851 63.114 62.300 -0.061 0.000 1.109 322 V CB -0.694 31.087 31.823 -0.070 0.000 0.724 322 V HN 0.053 nan 8.190 nan 0.000 0.471 323 L N 0.064 121.260 121.223 -0.045 0.000 1.994 323 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 323 L C 2.441 179.253 176.870 -0.096 0.000 1.071 323 L CA 2.332 57.136 54.840 -0.059 0.000 0.745 323 L CB -0.671 41.360 42.059 -0.047 0.000 0.892 323 L HN 0.172 nan 8.230 nan 0.000 0.431 324 M N -0.847 118.682 119.600 -0.118 0.000 2.213 324 M HA -0.135 4.345 4.480 -0.000 0.000 0.263 324 M C 2.296 178.545 176.300 -0.084 0.000 1.062 324 M CA 1.606 56.826 55.300 -0.134 0.000 1.105 324 M CB -0.808 31.725 32.600 -0.111 0.000 1.385 324 M HN 0.373 nan 8.290 nan 0.000 0.417 325 R N -0.987 119.482 120.500 -0.052 0.000 2.250 325 R HA 0.083 4.423 4.340 -0.000 0.000 0.194 325 R C 1.261 177.541 176.300 -0.034 0.000 0.927 325 R CA 0.331 56.416 56.100 -0.024 0.000 1.052 325 R CB 0.514 30.822 30.300 0.014 0.000 1.055 325 R HN 0.326 nan 8.270 nan 0.000 0.537 326 Q N -0.652 119.119 119.800 -0.049 0.000 2.149 326 Q HA 0.207 4.547 4.340 -0.000 0.000 0.221 326 Q C 0.622 176.592 176.000 -0.050 0.000 0.807 326 Q CA 0.458 56.232 55.803 -0.048 0.000 1.000 326 Q CB 1.821 30.527 28.738 -0.055 0.000 1.157 326 Q HN 0.444 nan 8.270 nan 0.000 0.487 327 G N 1.861 110.627 108.800 -0.057 0.000 2.187 327 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.261 327 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.261 327 G C 0.282 175.158 174.900 -0.040 0.000 1.000 327 G CA 0.015 45.084 45.100 -0.052 0.000 0.718 327 G HN 0.280 nan 8.290 nan 0.000 0.519 328 I N 2.230 122.777 120.570 -0.039 0.000 2.598 328 I HA 0.179 4.349 4.170 -0.000 0.000 0.284 328 I C -1.079 175.028 176.117 -0.016 0.000 1.140 328 I CA -2.567 58.716 61.300 -0.029 0.000 1.420 328 I CB 0.112 38.094 38.000 -0.030 0.000 1.387 328 I HN 0.024 nan 8.210 nan 0.000 0.553 329 P HA 0.183 nan 4.420 nan 0.000 0.272 329 P C -0.711 176.593 177.300 0.006 0.000 1.230 329 P CA -0.411 62.688 63.100 -0.002 0.000 0.788 329 P CB 0.925 32.621 31.700 -0.006 0.000 0.949 330 L N 2.050 123.282 121.223 0.014 0.000 2.292 330 L HA 0.190 4.530 4.340 -0.000 0.000 0.284 330 L C 1.882 178.753 176.870 0.002 0.000 1.065 330 L CA -0.447 54.403 54.840 0.016 0.000 0.806 330 L CB 1.510 43.590 42.059 0.036 0.000 1.175 330 L HN 0.187 nan 8.230 nan 0.000 0.431 331 V N 2.116 122.024 119.914 -0.011 0.000 2.446 331 V HA 0.027 4.147 4.120 -0.000 0.000 0.244 331 V C 0.846 176.923 176.094 -0.029 0.000 1.039 331 V CA 1.843 64.127 62.300 -0.026 0.000 1.045 331 V CB 0.874 32.674 31.823 -0.038 0.000 0.681 331 V HN 0.961 nan 8.190 nan 0.000 0.459 332 T N -1.877 112.657 114.554 -0.033 0.000 2.653 332 T HA 0.489 4.839 4.350 -0.000 0.000 0.306 332 T C -0.762 173.929 174.700 -0.016 0.000 1.426 332 T CA 0.138 62.223 62.100 -0.025 0.000 1.008 332 T CB 1.408 70.252 68.868 -0.040 0.000 1.692 332 T HN 0.687 nan 8.240 nan 0.000 0.483 333 S N -0.217 115.489 115.700 0.010 0.000 2.823 333 S HA 0.626 5.096 4.470 -0.000 0.000 0.316 333 S C 0.877 175.524 174.600 0.079 0.000 1.116 333 S CA -0.433 57.804 58.200 0.062 0.000 0.911 333 S CB 0.603 63.858 63.200 0.092 0.000 1.276 333 S HN 0.677 nan 8.310 nan 0.000 0.565 334 F N 1.805 121.778 119.950 0.039 0.000 2.025 334 F HA -0.067 4.459 4.527 -0.000 0.000 0.297 334 F C 2.552 178.376 175.800 0.040 0.000 1.132 334 F CA 2.541 60.575 58.000 0.058 0.000 1.191 334 F CB -1.109 37.951 39.000 0.100 0.000 0.963 334 F HN 0.696 nan 8.300 nan 0.000 0.481 335 A N -0.702 122.021 122.820 -0.162 0.000 2.070 335 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 335 A C 1.948 179.401 177.584 -0.218 0.000 1.159 335 A CA 1.751 53.564 52.037 -0.373 0.000 0.656 335 A CB -1.168 17.741 19.000 -0.151 0.000 0.800 335 A HN 0.525 nan 8.150 nan 0.000 0.453 336 S N -0.485 115.196 115.700 -0.032 0.000 2.575 336 S HA 0.099 4.569 4.470 -0.000 0.000 0.237 336 S C 1.406 175.977 174.600 -0.048 0.000 0.975 336 S CA 0.232 58.486 58.200 0.090 0.000 0.960 336 S CB -0.175 63.094 63.200 0.116 0.000 0.822 336 S HN 0.789 nan 8.310 nan 0.000 0.472 337 Q N 1.941 121.643 119.800 -0.163 0.000 2.124 337 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 337 Q C 1.370 177.293 176.000 -0.128 0.000 0.977 337 Q CA 1.715 57.397 55.803 -0.202 0.000 0.850 337 Q CB -0.676 27.867 28.738 -0.325 0.000 0.901 337 Q HN 0.640 nan 8.270 nan 0.000 0.429 338 E N 0.590 120.741 120.200 -0.082 0.000 2.150 338 E HA -0.099 4.250 4.350 -0.000 0.000 0.193 338 E C 1.918 178.491 176.600 -0.045 0.000 0.985 338 E CA 0.676 57.053 56.400 -0.038 0.000 0.814 338 E CB 0.073 29.774 29.700 0.002 0.000 0.752 338 E HN 0.270 nan 8.360 nan 0.000 0.466 339 L N 0.431 121.632 121.223 -0.037 0.000 2.201 339 L HA -0.072 4.268 4.340 -0.000 0.000 0.212 339 L C 2.341 179.153 176.870 -0.097 0.000 1.105 339 L CA 1.334 56.138 54.840 -0.060 0.000 0.775 339 L CB -1.419 40.605 42.059 -0.058 0.000 0.913 339 L HN 0.109 nan 8.230 nan 0.000 0.440 340 A N 0.152 122.912 122.820 -0.100 0.000 1.933 340 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 340 A C 2.322 179.811 177.584 -0.158 0.000 1.175 340 A CA 1.380 53.349 52.037 -0.114 0.000 0.628 340 A CB -0.479 18.456 19.000 -0.108 0.000 0.814 340 A HN 0.354 nan 8.150 nan 0.000 0.444 341 I N -0.572 119.893 120.570 -0.174 0.000 2.315 341 I HA -0.280 3.890 4.170 -0.000 0.000 0.248 341 I C 2.042 177.809 176.117 -0.584 0.000 1.117 341 I CA 0.828 61.978 61.300 -0.249 0.000 1.404 341 I CB -0.354 37.564 38.000 -0.137 0.000 1.071 341 I HN 0.332 nan 8.210 nan 0.000 0.419 342 C N 0.875 119.858 119.300 -0.528 0.000 2.443 342 C HA -0.107 4.353 4.460 -0.000 0.000 0.290 342 C C 2.949 177.661 174.990 -0.464 0.000 1.476 342 C CA 1.397 60.001 59.018 -0.690 0.000 1.772 342 C CB -1.882 25.749 27.740 -0.181 0.000 1.714 342 C HN 0.623 nan 8.230 nan 0.000 0.562 343 T N -2.157 112.212 114.554 -0.308 0.000 2.962 343 T HA 0.134 4.484 4.350 -0.000 0.000 0.270 343 T C 1.802 176.412 174.700 -0.149 0.000 1.088 343 T CA 1.607 63.620 62.100 -0.144 0.000 1.127 343 T CB -0.392 68.408 68.868 -0.114 0.000 0.883 343 T HN 0.897 nan 8.240 nan 0.000 0.493 344 G N 0.888 109.491 108.800 -0.329 0.000 2.184 344 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.264 344 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.264 344 G C 0.870 175.762 174.900 -0.014 0.000 0.975 344 G CA 0.110 45.149 45.100 -0.102 0.000 0.642 344 G HN 1.332 nan 8.290 nan 0.000 0.536 345 A N -0.253 122.533 122.820 -0.056 0.000 2.387 345 A HA 0.648 4.968 4.320 -0.000 0.000 0.234 345 A C 0.770 178.352 177.584 -0.003 0.000 1.253 345 A CA 0.122 52.152 52.037 -0.011 0.000 0.894 345 A CB 0.179 19.169 19.000 -0.017 0.000 0.963 345 A HN 0.418 nan 8.150 nan 0.000 0.508 346 I N 1.549 122.096 120.570 -0.038 0.000 2.337 346 I HA 0.138 4.308 4.170 -0.000 0.000 0.291 346 I C 0.056 176.161 176.117 -0.020 0.000 1.046 346 I CA -0.230 61.043 61.300 -0.044 0.000 1.324 346 I CB 0.606 38.553 38.000 -0.088 0.000 1.409 346 I HN 0.192 nan 8.210 nan 0.000 0.494 347 D N 4.918 125.314 120.400 -0.007 0.000 2.216 347 D HA 0.161 4.801 4.640 -0.000 0.000 0.208 347 D C 0.659 176.904 176.300 -0.092 0.000 0.960 347 D CA 0.831 54.838 54.000 0.011 0.000 0.861 347 D CB 0.841 41.706 40.800 0.110 0.000 0.985 347 D HN 0.606 nan 8.370 nan 0.000 0.493 348 A N 0.258 122.936 122.820 -0.238 0.000 2.520 348 A HA 0.620 4.940 4.320 -0.000 0.000 0.298 348 A C -1.312 175.948 177.584 -0.539 0.000 1.051 348 A CA -0.595 51.188 52.037 -0.423 0.000 0.690 348 A CB 1.898 20.553 19.000 -0.576 0.000 1.281 348 A HN 0.058 nan 8.150 nan 0.000 0.402 349 M N 2.824 122.202 119.600 -0.369 0.000 2.085 349 M HA 0.491 4.971 4.480 -0.000 0.000 0.309 349 M C -1.499 174.671 176.300 -0.216 0.000 0.947 349 M CA -0.345 54.797 55.300 -0.263 0.000 0.918 349 M CB 0.919 33.457 32.600 -0.103 0.000 1.504 349 M HN 0.796 nan 8.290 nan 0.000 0.420 350 C N 7.054 126.222 119.300 -0.220 0.000 2.264 350 C HA 0.800 5.260 4.460 -0.000 0.000 0.324 350 C C -0.253 174.738 174.990 0.002 0.000 1.267 350 C CA -0.391 58.581 59.018 -0.077 0.000 1.618 350 C CB -0.070 27.709 27.740 0.064 0.000 2.278 350 C HN 0.741 nan 8.230 nan 0.000 0.499 351 V N 4.546 124.456 119.914 -0.006 0.000 2.919 351 V HA 0.795 4.915 4.120 -0.000 0.000 0.316 351 V C -0.045 176.034 176.094 -0.025 0.000 1.077 351 V CA -0.330 61.956 62.300 -0.024 0.000 0.977 351 V CB 2.049 33.843 31.823 -0.048 0.000 1.039 351 V HN 0.842 nan 8.190 nan 0.000 0.441 352 D N 2.754 123.136 120.400 -0.029 0.000 3.013 352 D HA 0.319 4.959 4.640 -0.000 0.000 0.256 352 D C 0.538 176.852 176.300 0.024 0.000 1.573 352 D CA 1.135 55.139 54.000 0.007 0.000 1.197 352 D CB 0.149 40.956 40.800 0.011 0.000 1.041 352 D HN 1.057 nan 8.370 nan 0.000 0.304 353 V N -3.515 116.423 119.914 0.040 0.000 3.049 353 V HA 0.695 4.815 4.120 -0.000 0.000 0.309 353 V C -1.586 174.557 176.094 0.081 0.000 1.148 353 V CA -1.045 61.277 62.300 0.037 0.000 0.990 353 V CB 1.106 32.940 31.823 0.018 0.000 1.039 353 V HN 0.528 nan 8.190 nan 0.000 0.430 354 Q N 1.166 120.968 119.800 0.003 0.000 3.195 354 Q HA -0.108 4.232 4.340 -0.000 0.000 0.038 354 Q C 0.300 176.373 176.000 0.121 0.000 1.688 354 Q CA 0.089 55.848 55.803 -0.073 0.000 0.257 354 Q CB -1.408 27.056 28.738 -0.457 0.000 0.583 354 Q HN 2.028 nan 8.270 nan 0.000 0.322 355 C N 0.496 119.866 119.300 0.117 0.000 4.331 355 C HA -0.209 4.251 4.460 -0.000 0.000 0.293 355 C C 0.621 175.872 174.990 0.436 0.000 1.436 355 C CA 0.804 60.001 59.018 0.298 0.000 1.993 355 C CB -2.314 25.618 27.740 0.319 0.000 1.266 355 C HN 0.513 nan 8.230 nan 0.000 0.795 356 I N 0.661 121.349 120.570 0.196 0.000 2.297 356 I HA 0.252 4.422 4.170 -0.000 0.000 0.291 356 I C 0.645 176.869 176.117 0.177 0.000 1.033 356 I CA 0.089 61.459 61.300 0.116 0.000 1.253 356 I CB 0.654 38.616 38.000 -0.062 0.000 1.396 356 I HN 0.221 nan 8.210 nan 0.000 0.476 357 M N 9.092 128.813 119.600 0.201 0.000 2.364 357 M HA 0.119 4.599 4.480 -0.000 0.000 0.342 357 M C -1.266 175.085 176.300 0.084 0.000 1.601 357 M CA -1.230 54.138 55.300 0.113 0.000 1.156 357 M CB 0.309 32.925 32.600 0.026 0.000 1.912 357 M HN 0.325 nan 8.290 nan 0.000 0.460 358 P HA -0.078 nan 4.420 nan 0.000 0.230 358 P C 0.782 178.110 177.300 0.047 0.000 1.158 358 P CA 0.967 64.100 63.100 0.055 0.000 0.769 358 P CB -0.089 31.638 31.700 0.044 0.000 0.807 359 S N 0.905 116.631 115.700 0.044 0.000 2.469 359 S HA -0.150 4.320 4.470 -0.000 0.000 0.238 359 S C 2.045 176.670 174.600 0.042 0.000 0.998 359 S CA 0.949 59.171 58.200 0.038 0.000 0.957 359 S CB -1.653 61.567 63.200 0.033 0.000 0.764 359 S HN 0.340 nan 8.310 nan 0.000 0.514 360 I N 1.841 122.438 120.570 0.046 0.000 2.399 360 I HA -0.207 3.963 4.170 -0.000 0.000 0.254 360 I C 2.359 178.505 176.117 0.047 0.000 1.146 360 I CA 1.598 62.926 61.300 0.047 0.000 1.412 360 I CB -1.004 37.030 38.000 0.058 0.000 1.076 360 I HN 0.421 nan 8.210 nan 0.000 0.432 361 S N 1.857 117.585 115.700 0.047 0.000 2.387 361 S HA 0.074 4.544 4.470 -0.000 0.000 0.226 361 S C 2.260 176.884 174.600 0.040 0.000 1.026 361 S CA 0.573 58.800 58.200 0.045 0.000 0.972 361 S CB -0.550 62.680 63.200 0.050 0.000 0.814 361 S HN 0.589 nan 8.310 nan 0.000 0.477 362 A N 1.739 124.581 122.820 0.037 0.000 1.873 362 A HA 0.104 4.424 4.320 -0.000 0.000 0.215 362 A C 2.419 180.024 177.584 0.035 0.000 1.186 362 A CA 1.581 53.635 52.037 0.028 0.000 0.616 362 A CB -1.171 17.843 19.000 0.023 0.000 0.823 362 A HN 0.437 nan 8.150 nan 0.000 0.442 363 V N 0.041 119.992 119.914 0.062 0.000 2.287 363 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 363 V C 3.047 179.248 176.094 0.178 0.000 1.053 363 V CA 2.022 64.393 62.300 0.118 0.000 1.027 363 V CB -1.328 30.562 31.823 0.112 0.000 0.646 363 V HN 0.603 nan 8.190 nan 0.000 0.447 364 A N -0.816 122.078 122.820 0.125 0.000 2.024 364 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 364 A C 2.243 179.877 177.584 0.082 0.000 1.164 364 A CA 1.851 53.966 52.037 0.130 0.000 0.643 364 A CB -0.562 18.471 19.000 0.054 0.000 0.806 364 A HN 0.632 nan 8.150 nan 0.000 0.451 365 E N -0.755 119.460 120.200 0.025 0.000 2.204 365 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 365 E C 1.555 178.079 176.600 -0.127 0.000 0.990 365 E CA 1.273 57.652 56.400 -0.035 0.000 0.821 365 E CB -0.244 29.440 29.700 -0.027 0.000 0.750 365 E HN 0.711 nan 8.360 nan 0.000 0.477 366 C N -0.080 119.103 119.300 -0.196 0.000 2.468 366 C HA 0.045 4.505 4.460 -0.000 0.000 0.277 366 C C 1.019 175.561 174.990 -0.747 0.000 1.400 366 C CA -0.213 58.508 59.018 -0.495 0.000 1.770 366 C CB -0.934 26.402 27.740 -0.674 0.000 1.905 366 C HN 0.314 nan 8.230 nan 0.000 0.519 367 Y N -1.143 119.087 120.300 -0.116 0.000 2.853 367 Y HA 0.327 4.877 4.550 -0.000 0.000 0.332 367 Y C 1.190 176.956 175.900 -0.222 0.000 1.229 367 Y CA -0.630 57.389 58.100 -0.135 0.000 1.177 367 Y CB -0.013 38.426 38.460 -0.035 0.000 1.435 367 Y HN -0.067 nan 8.280 nan 0.000 0.659 368 H N -1.509 117.644 119.070 0.138 0.000 2.519 368 H HA 0.230 4.786 4.556 -0.000 0.000 0.289 368 H C -0.575 174.763 175.328 0.017 0.000 1.040 368 H CA -0.176 55.898 56.048 0.044 0.000 1.165 368 H CB -0.235 29.535 29.762 0.013 0.000 1.462 368 H HN 0.343 nan 8.280 nan 0.000 0.555 369 T N 2.274 116.890 114.554 0.105 0.000 2.884 369 T HA 0.177 4.527 4.350 -0.000 0.000 0.298 369 T C 0.574 175.249 174.700 -0.041 0.000 0.998 369 T CA -0.591 61.526 62.100 0.028 0.000 1.124 369 T CB 0.790 69.668 68.868 0.017 0.000 0.931 369 T HN 0.188 nan 8.240 nan 0.000 0.531 370 R N 2.930 123.363 120.500 -0.112 0.000 2.221 370 R HA 0.338 4.678 4.340 -0.000 0.000 0.327 370 R C -0.226 175.968 176.300 -0.178 0.000 1.033 370 R CA -0.691 55.281 56.100 -0.214 0.000 0.887 370 R CB 0.540 30.650 30.300 -0.317 0.000 1.057 370 R HN 0.482 nan 8.270 nan 0.000 0.455 371 I N 5.393 125.891 120.570 -0.119 0.000 2.365 371 I HA 0.322 4.492 4.170 -0.000 0.000 0.291 371 I C 0.654 176.753 176.117 -0.030 0.000 1.004 371 I CA -0.717 60.548 61.300 -0.059 0.000 1.311 371 I CB 0.696 38.700 38.000 0.007 0.000 1.401 371 I HN 0.431 nan 8.210 nan 0.000 0.491 372 I N 5.661 126.215 120.570 -0.025 0.000 2.411 372 I HA 0.201 4.371 4.170 -0.000 0.000 0.284 372 I C 0.467 176.616 176.117 0.053 0.000 1.012 372 I CA -0.524 60.799 61.300 0.038 0.000 1.119 372 I CB 1.811 39.818 38.000 0.011 0.000 1.261 372 I HN 0.576 nan 8.210 nan 0.000 0.448 373 T N 0.389 115.016 114.554 0.121 0.000 2.899 373 T HA 0.418 4.768 4.350 -0.000 0.000 0.284 373 T C 0.790 175.511 174.700 0.035 0.000 1.004 373 T CA -0.000 62.193 62.100 0.156 0.000 1.043 373 T CB 1.696 70.753 68.868 0.316 0.000 1.013 373 T HN 0.748 nan 8.240 nan 0.000 0.518 374 T N -2.866 111.712 114.554 0.041 0.000 3.028 374 T HA 0.507 4.857 4.350 -0.000 0.000 0.262 374 T C 0.535 175.301 174.700 0.109 0.000 0.916 374 T CA 0.047 62.112 62.100 -0.059 0.000 0.873 374 T CB 0.018 68.826 68.868 -0.099 0.000 1.232 374 T HN 1.010 nan 8.240 nan 0.000 0.529 375 A N 2.349 125.312 122.820 0.237 0.000 2.312 375 A HA 0.603 4.923 4.320 -0.000 0.000 0.326 375 A C 0.925 178.648 177.584 0.232 0.000 1.172 375 A CA -0.212 51.943 52.037 0.197 0.000 0.821 375 A CB 0.857 19.924 19.000 0.111 0.000 1.166 375 A HN 0.328 nan 8.150 nan 0.000 0.493 376 D N 1.081 121.560 120.400 0.132 0.000 2.350 376 D HA -0.146 4.494 4.640 -0.000 0.000 0.216 376 D C 0.466 176.761 176.300 -0.008 0.000 0.968 376 D CA 1.408 55.450 54.000 0.070 0.000 0.894 376 D CB -0.139 40.684 40.800 0.038 0.000 0.909 376 D HN 0.503 nan 8.370 nan 0.000 0.520 377 N N 0.161 118.854 118.700 -0.011 0.000 2.214 377 N HA 0.288 5.028 4.740 -0.000 0.000 0.214 377 N C -0.418 175.082 175.510 -0.018 0.000 1.132 377 N CA -0.222 52.810 53.050 -0.030 0.000 0.856 377 N CB 0.594 39.054 38.487 -0.046 0.000 1.020 377 N HN 0.229 nan 8.380 nan 0.000 0.509 378 A N 0.415 123.236 122.820 0.002 0.000 2.855 378 A HA 0.478 4.798 4.320 -0.000 0.000 0.313 378 A C -0.692 176.899 177.584 0.011 0.000 1.173 378 A CA -0.761 51.281 52.037 0.008 0.000 0.753 378 A CB 0.713 19.726 19.000 0.022 0.000 1.200 378 A HN 0.103 nan 8.150 nan 0.000 0.442 379 K N 0.834 121.210 120.400 -0.040 0.000 2.221 379 K HA 0.821 5.141 4.320 -0.000 0.000 0.243 379 K C -1.123 175.466 176.600 -0.019 0.000 0.968 379 K CA -0.677 55.568 56.287 -0.071 0.000 0.846 379 K CB 2.410 34.776 32.500 -0.223 0.000 1.141 379 K HN 0.546 nan 8.250 nan 0.000 0.434 380 I N 2.717 123.293 120.570 0.010 0.000 2.531 380 I HA 0.223 4.393 4.170 -0.000 0.000 0.283 380 I C -2.465 173.672 176.117 0.034 0.000 1.083 380 I CA -2.265 59.052 61.300 0.028 0.000 1.071 380 I CB 1.959 39.989 38.000 0.050 0.000 1.210 380 I HN 0.274 nan 8.210 nan 0.000 0.450 381 P HA 0.129 nan 4.420 nan 0.000 0.267 381 P C 0.962 178.288 177.300 0.043 0.000 1.200 381 P CA 0.782 63.896 63.100 0.023 0.000 0.772 381 P CB 0.693 32.400 31.700 0.011 0.000 0.855 382 G N 0.901 109.733 108.800 0.055 0.000 2.284 382 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.247 382 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.247 382 G C 0.374 175.347 174.900 0.123 0.000 1.012 382 G CA 0.085 45.230 45.100 0.075 0.000 0.618 382 G HN 0.886 nan 8.290 nan 0.000 0.521 383 A N -0.121 122.776 122.820 0.129 0.000 2.306 383 A HA 0.731 5.051 4.320 -0.000 0.000 0.314 383 A C 0.030 177.784 177.584 0.283 0.000 1.164 383 A CA -0.582 51.562 52.037 0.177 0.000 0.822 383 A CB 0.516 19.593 19.000 0.129 0.000 1.130 383 A HN 0.574 nan 8.150 nan 0.000 0.496 384 Y N 0.643 120.980 120.300 0.061 0.000 2.702 384 Y HA 0.086 4.636 4.550 -0.000 0.000 0.336 384 Y C 0.735 176.704 175.900 0.117 0.000 1.235 384 Y CA 0.733 58.878 58.100 0.075 0.000 1.492 384 Y CB 0.403 38.892 38.460 0.050 0.000 1.308 384 Y HN 0.823 nan 8.280 nan 0.000 0.589 385 H N 3.907 123.051 119.070 0.123 0.000 2.539 385 H HA 0.472 5.028 4.556 -0.000 0.000 0.332 385 H C -1.180 174.203 175.328 0.092 0.000 1.031 385 H CA -0.621 55.481 56.048 0.091 0.000 1.206 385 H CB 0.632 30.425 29.762 0.052 0.000 1.446 385 H HN 0.517 nan 8.280 nan 0.000 0.496 386 I N 3.984 124.302 120.570 -0.420 0.000 2.339 386 I HA 0.092 4.262 4.170 -0.000 0.000 0.290 386 I C -0.200 175.674 176.117 -0.405 0.000 0.994 386 I CA -0.791 60.364 61.300 -0.242 0.000 1.191 386 I CB 1.246 39.228 38.000 -0.031 0.000 1.343 386 I HN 0.635 nan 8.210 nan 0.000 0.458 387 D N 6.579 126.885 120.400 -0.156 0.000 2.398 387 D HA -0.074 4.566 4.640 -0.000 0.000 0.250 387 D C -0.724 175.629 176.300 0.088 0.000 1.287 387 D CA 0.185 54.187 54.000 0.003 0.000 0.992 387 D CB -0.068 40.782 40.800 0.083 0.000 1.071 387 D HN 0.246 nan 8.370 nan 0.000 0.514 388 Y N 3.245 123.529 120.300 -0.027 0.000 2.336 388 Y HA 0.270 4.820 4.550 -0.000 0.000 0.335 388 Y C -0.258 175.693 175.900 0.086 0.000 1.046 388 Y CA -0.079 58.041 58.100 0.034 0.000 1.198 388 Y CB 0.538 39.024 38.460 0.044 0.000 1.182 388 Y HN 0.274 nan 8.280 nan 0.000 0.502 389 Q N 3.491 123.117 119.800 -0.290 0.000 2.372 389 Q HA 0.188 4.528 4.340 -0.000 0.000 0.273 389 Q C 0.776 176.594 176.000 -0.304 0.000 1.078 389 Q CA -0.118 55.575 55.803 -0.183 0.000 0.806 389 Q CB 2.079 30.779 28.738 -0.062 0.000 1.332 389 Q HN 0.873 nan 8.270 nan 0.000 0.435 390 T N -1.739 112.742 114.554 -0.122 0.000 2.803 390 T HA -0.173 4.177 4.350 -0.000 0.000 0.269 390 T C 1.747 176.477 174.700 0.050 0.000 1.052 390 T CA 1.363 63.451 62.100 -0.020 0.000 1.136 390 T CB -0.103 68.713 68.868 -0.087 0.000 0.864 390 T HN 0.618 nan 8.240 nan 0.000 0.467 391 A N 2.103 124.922 122.820 -0.001 0.000 1.972 391 A HA 0.016 4.336 4.320 -0.000 0.000 0.219 391 A C 2.341 179.918 177.584 -0.011 0.000 1.169 391 A CA 1.730 53.772 52.037 0.009 0.000 0.635 391 A CB -0.889 18.114 19.000 0.005 0.000 0.810 391 A HN 0.727 nan 8.150 nan 0.000 0.446 392 T N -4.054 110.464 114.554 -0.060 0.000 3.266 392 T HA 0.630 4.980 4.350 -0.000 0.000 0.278 392 T C 1.195 175.837 174.700 -0.095 0.000 1.010 392 T CA 0.523 62.588 62.100 -0.059 0.000 0.909 392 T CB 0.493 69.338 68.868 -0.039 0.000 1.122 392 T HN 0.428 nan 8.240 nan 0.000 0.536 393 A N 1.800 124.537 122.820 -0.138 0.000 1.865 393 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 393 A C 2.063 179.676 177.584 0.049 0.000 1.191 393 A CA 1.427 53.350 52.037 -0.190 0.000 0.623 393 A CB -0.764 18.201 19.000 -0.059 0.000 0.826 393 A HN 0.519 nan 8.150 nan 0.000 0.444 394 I N -0.049 120.518 120.570 -0.005 0.000 2.208 394 I HA -0.239 3.930 4.170 -0.000 0.000 0.245 394 I C 2.295 178.430 176.117 0.029 0.000 1.097 394 I CA 1.921 63.224 61.300 0.005 0.000 1.363 394 I CB -0.319 37.657 38.000 -0.040 0.000 1.051 394 I HN 0.482 nan 8.210 nan 0.000 0.413 395 E N -0.319 119.894 120.200 0.021 0.000 2.049 395 E HA -0.251 4.099 4.350 -0.000 0.000 0.198 395 E C 2.293 178.933 176.600 0.068 0.000 1.007 395 E CA 1.932 58.351 56.400 0.032 0.000 0.809 395 E CB -0.201 29.512 29.700 0.022 0.000 0.749 395 E HN 0.452 nan 8.360 nan 0.000 0.450 396 S N 0.351 116.116 115.700 0.109 0.000 2.368 396 S HA -0.193 4.277 4.470 -0.000 0.000 0.225 396 S C 2.058 176.772 174.600 0.191 0.000 1.030 396 S CA 0.961 59.274 58.200 0.189 0.000 0.999 396 S CB -0.242 63.165 63.200 0.345 0.000 0.844 396 S HN 0.411 nan 8.310 nan 0.000 0.459 397 A N 1.796 124.736 122.820 0.200 0.000 1.908 397 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 397 A C 2.057 179.654 177.584 0.023 0.000 1.181 397 A CA 1.607 53.696 52.037 0.087 0.000 0.627 397 A CB -0.464 18.570 19.000 0.056 0.000 0.818 397 A HN 0.460 nan 8.150 nan 0.000 0.445 398 K N -0.922 119.494 120.400 0.026 0.000 2.097 398 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 398 K C 2.113 178.737 176.600 0.040 0.000 1.049 398 K CA 1.702 57.994 56.287 0.009 0.000 0.933 398 K CB -0.410 32.094 32.500 0.006 0.000 0.717 398 K HN 0.497 nan 8.250 nan 0.000 0.442 399 T N 1.164 115.758 114.554 0.067 0.000 2.684 399 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 399 T C 2.016 176.787 174.700 0.118 0.000 1.036 399 T CA 1.499 63.653 62.100 0.089 0.000 1.148 399 T CB -0.308 68.617 68.868 0.096 0.000 0.863 399 T HN 0.339 nan 8.240 nan 0.000 0.436 400 A N 1.186 124.089 122.820 0.139 0.000 1.877 400 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 400 A C 2.300 180.068 177.584 0.307 0.000 1.186 400 A CA 1.345 53.512 52.037 0.216 0.000 0.620 400 A CB -0.839 18.317 19.000 0.260 0.000 0.822 400 A HN 0.540 nan 8.150 nan 0.000 0.443 401 I N -0.931 119.740 120.570 0.169 0.000 2.361 401 I HA -0.257 3.913 4.170 -0.000 0.000 0.251 401 I C 2.706 178.897 176.117 0.123 0.000 1.133 401 I CA 1.189 62.555 61.300 0.111 0.000 1.413 401 I CB -0.318 37.610 38.000 -0.120 0.000 1.073 401 I HN 0.296 nan 8.210 nan 0.000 0.424 402 R N 0.265 120.820 120.500 0.093 0.000 2.115 402 R HA -0.078 4.261 4.340 -0.000 0.000 0.230 402 R C 2.308 178.666 176.300 0.096 0.000 1.111 402 R CA 1.225 57.373 56.100 0.081 0.000 0.976 402 R CB -0.251 30.088 30.300 0.066 0.000 0.870 402 R HN 0.351 nan 8.270 nan 0.000 0.445 403 M N 0.048 119.714 119.600 0.109 0.000 2.159 403 M HA -0.118 4.362 4.480 -0.000 0.000 0.263 403 M C 2.509 178.839 176.300 0.051 0.000 1.063 403 M CA 1.734 57.075 55.300 0.069 0.000 1.110 403 M CB -0.282 32.340 32.600 0.036 0.000 1.374 403 M HN 0.209 nan 8.290 nan 0.000 0.411 404 A N 0.705 123.591 122.820 0.111 0.000 1.902 404 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 404 A C 2.088 179.755 177.584 0.139 0.000 1.181 404 A CA 1.451 53.558 52.037 0.117 0.000 0.623 404 A CB -0.894 18.278 19.000 0.287 0.000 0.818 404 A HN 0.455 nan 8.150 nan 0.000 0.443 405 I N -0.271 120.378 120.570 0.132 0.000 2.286 405 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 405 I C 2.379 178.593 176.117 0.162 0.000 1.115 405 I CA 1.244 62.619 61.300 0.126 0.000 1.392 405 I CB -0.318 37.721 38.000 0.065 0.000 1.065 405 I HN 0.310 nan 8.210 nan 0.000 0.418 406 E N 0.922 121.188 120.200 0.111 0.000 2.107 406 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 406 E C 2.354 178.997 176.600 0.072 0.000 0.982 406 E CA 1.311 57.764 56.400 0.088 0.000 0.809 406 E CB -0.235 29.506 29.700 0.069 0.000 0.756 406 E HN 0.488 nan 8.360 nan 0.000 0.459 407 A N 0.790 123.651 122.820 0.068 0.000 1.969 407 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 407 A C 2.018 179.627 177.584 0.042 0.000 1.169 407 A CA 0.970 53.034 52.037 0.045 0.000 0.635 407 A CB -0.706 18.310 19.000 0.027 0.000 0.810 407 A HN 0.286 nan 8.150 nan 0.000 0.445 408 F N 0.773 120.710 119.950 -0.022 0.000 2.113 408 F HA -0.117 4.410 4.527 -0.000 0.000 0.297 408 F C 2.152 177.922 175.800 -0.050 0.000 1.103 408 F CA 2.036 60.019 58.000 -0.030 0.000 1.248 408 F CB -0.168 38.827 39.000 -0.008 0.000 0.999 408 F HN 0.065 nan 8.300 nan 0.000 0.475 409 K N 0.383 120.786 120.400 0.006 0.000 2.044 409 K HA -0.249 4.071 4.320 -0.000 0.000 0.210 409 K C 1.970 178.447 176.600 -0.206 0.000 1.049 409 K CA 2.284 58.514 56.287 -0.095 0.000 0.927 409 K CB -0.483 32.045 32.500 0.046 0.000 0.713 409 K HN 0.450 nan 8.250 nan 0.000 0.443 410 E N 0.236 120.334 120.200 -0.171 0.000 2.118 410 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 410 E C 2.155 178.459 176.600 -0.494 0.000 0.992 410 E CA 1.068 57.324 56.400 -0.240 0.000 0.804 410 E CB -0.066 29.548 29.700 -0.144 0.000 0.741 410 E HN 0.225 nan 8.360 nan 0.000 0.458 411 R N 1.135 121.322 120.500 -0.521 0.000 2.070 411 R HA -0.156 4.184 4.340 -0.000 0.000 0.233 411 R C 2.028 178.059 176.300 -0.448 0.000 1.137 411 R CA 1.416 57.182 56.100 -0.558 0.000 0.945 411 R CB 0.118 30.206 30.300 -0.354 0.000 0.845 411 R HN -0.110 nan 8.270 nan 0.000 0.430 412 K N 0.705 120.794 120.400 -0.518 0.000 2.026 412 K HA -0.194 4.126 4.320 -0.000 0.000 0.208 412 K C 2.016 178.466 176.600 -0.249 0.000 1.048 412 K CA 1.886 57.925 56.287 -0.413 0.000 0.929 412 K CB -0.433 31.742 32.500 -0.542 0.000 0.713 412 K HN 0.308 nan 8.250 nan 0.000 0.439 413 E N 1.194 121.257 120.200 -0.228 0.000 2.085 413 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 413 E C 1.698 178.225 176.600 -0.120 0.000 0.994 413 E CA 1.884 58.199 56.400 -0.142 0.000 0.801 413 E CB -0.151 29.480 29.700 -0.115 0.000 0.743 413 E HN 0.244 nan 8.360 nan 0.000 0.453 414 S N -0.431 115.170 115.700 -0.164 0.000 2.561 414 S HA -0.057 4.413 4.470 -0.000 0.000 0.225 414 S C 0.975 175.545 174.600 -0.051 0.000 0.977 414 S CA 0.648 58.794 58.200 -0.089 0.000 0.926 414 S CB -0.252 62.901 63.200 -0.079 0.000 0.769 414 S HN 0.420 nan 8.310 nan 0.000 0.533 415 N N 0.813 119.465 118.700 -0.080 0.000 2.714 415 N HA -0.196 4.544 4.740 -0.000 0.000 0.250 415 N C 0.152 175.659 175.510 -0.005 0.000 1.117 415 N CA 1.155 54.179 53.050 -0.044 0.000 0.719 415 N CB -2.319 36.152 38.487 -0.026 0.000 1.081 415 N HN 0.907 nan 8.380 nan 0.000 0.557 416 R N 0.699 121.208 120.500 0.015 0.000 2.638 416 R HA 0.257 4.597 4.340 -0.000 0.000 0.268 416 R C -1.733 174.609 176.300 0.070 0.000 1.006 416 R CA 0.253 56.408 56.100 0.092 0.000 1.088 416 R CB -1.090 29.341 30.300 0.218 0.000 0.950 416 R HN 0.348 nan 8.270 nan 0.000 0.419 417 P HA 0.259 nan 4.420 nan 0.000 0.271 417 P C -0.969 176.397 177.300 0.109 0.000 1.216 417 P CA -0.274 62.878 63.100 0.087 0.000 0.771 417 P CB 1.096 32.850 31.700 0.090 0.000 0.864 418 V N 4.575 124.542 119.914 0.088 0.000 2.604 418 V HA 0.309 4.429 4.120 -0.000 0.000 0.305 418 V C -0.927 175.239 176.094 0.120 0.000 1.043 418 V CA -0.583 61.762 62.300 0.076 0.000 0.888 418 V CB 1.699 33.536 31.823 0.024 0.000 0.995 418 V HN 0.500 nan 8.190 nan 0.000 0.429 419 Y N 5.736 126.028 120.300 -0.014 0.000 2.332 419 Y HA 0.681 5.231 4.550 -0.000 0.000 0.326 419 Y C -0.659 175.218 175.900 -0.038 0.000 0.978 419 Y CA -0.752 57.335 58.100 -0.021 0.000 1.205 419 Y CB 1.401 39.850 38.460 -0.019 0.000 1.131 419 Y HN 0.551 nan 8.280 nan 0.000 0.462 420 I N 9.285 129.459 120.570 -0.660 0.000 2.354 420 I HA 0.378 4.547 4.170 -0.000 0.000 0.286 420 I C -2.295 173.423 176.117 -0.664 0.000 1.007 420 I CA -2.301 58.703 61.300 -0.492 0.000 1.167 420 I CB 1.466 39.315 38.000 -0.252 0.000 1.320 420 I HN 0.515 nan 8.210 nan 0.000 0.458 421 P HA -0.040 nan 4.420 nan 0.000 0.262 421 P C -0.682 176.517 177.300 -0.167 0.000 1.182 421 P CA -0.152 62.810 63.100 -0.230 0.000 0.761 421 P CB 0.368 32.047 31.700 -0.036 0.000 0.795 422 Q N 3.101 122.827 119.800 -0.123 0.000 3.150 422 Q HA 0.321 4.661 4.340 -0.000 0.000 0.297 422 Q C -0.274 175.700 176.000 -0.043 0.000 1.382 422 Q CA 0.199 55.951 55.803 -0.084 0.000 1.059 422 Q CB -0.397 28.299 28.738 -0.070 0.000 1.559 422 Q HN 0.504 nan 8.270 nan 0.000 0.548 423 I N 1.820 122.366 120.570 -0.041 0.000 2.500 423 I HA 0.331 4.501 4.170 -0.000 0.000 0.286 423 I C -0.511 175.595 176.117 -0.018 0.000 1.063 423 I CA -0.510 60.779 61.300 -0.019 0.000 1.062 423 I CB 1.524 39.518 38.000 -0.009 0.000 1.223 423 I HN 0.088 nan 8.210 nan 0.000 0.435 424 K N 4.364 124.758 120.400 -0.010 0.000 2.568 424 K HA 0.567 4.887 4.320 -0.000 0.000 0.273 424 K C -1.918 174.683 176.600 0.002 0.000 0.951 424 K CA -0.965 55.319 56.287 -0.006 0.000 0.854 424 K CB 2.311 34.803 32.500 -0.013 0.000 1.424 424 K HN 0.295 nan 8.250 nan 0.000 0.427 425 N N 1.287 119.992 118.700 0.008 0.000 2.292 425 N HA 0.287 5.027 4.740 -0.000 0.000 0.303 425 N C -1.166 174.353 175.510 0.014 0.000 1.140 425 N CA -0.789 52.270 53.050 0.015 0.000 0.788 425 N CB 2.475 40.977 38.487 0.024 0.000 1.361 425 N HN 0.565 nan 8.380 nan 0.000 0.489 426 R N 0.743 121.252 120.500 0.015 0.000 2.643 426 R HA 0.318 4.658 4.340 -0.000 0.000 0.270 426 R C -0.999 175.314 176.300 0.022 0.000 1.061 426 R CA -0.003 56.105 56.100 0.014 0.000 1.107 426 R CB 0.436 30.743 30.300 0.011 0.000 0.999 426 R HN 0.238 nan 8.270 nan 0.000 0.460 427 V N 4.846 124.774 119.914 0.023 0.000 2.623 427 V HA 0.289 4.409 4.120 -0.000 0.000 0.304 427 V C -0.778 175.335 176.094 0.032 0.000 1.054 427 V CA -0.792 61.531 62.300 0.038 0.000 0.882 427 V CB 2.162 34.015 31.823 0.049 0.000 1.002 427 V HN 0.534 nan 8.190 nan 0.000 0.424 428 V N 4.563 124.507 119.914 0.051 0.000 2.398 428 V HA 0.913 5.033 4.120 -0.000 0.000 0.286 428 V C 0.410 176.562 176.094 0.098 0.000 1.026 428 V CA 0.223 62.556 62.300 0.054 0.000 0.868 428 V CB 1.253 33.134 31.823 0.097 0.000 0.982 428 V HN 1.085 nan 8.190 nan 0.000 0.443 429 A N 3.295 126.093 122.820 -0.037 0.000 2.681 429 A HA 0.920 5.240 4.320 -0.000 0.000 0.278 429 A C 0.846 178.205 177.584 -0.375 0.000 1.272 429 A CA -0.188 51.810 52.037 -0.064 0.000 0.750 429 A CB 0.865 19.787 19.000 -0.129 0.000 1.351 429 A HN 1.971 nan 8.150 nan 0.000 0.514 430 G N -2.564 106.051 108.800 -0.309 0.000 2.132 430 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.228 430 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.228 430 G C -0.274 174.442 174.900 -0.306 0.000 1.000 430 G CA 0.348 45.253 45.100 -0.325 0.000 0.693 430 G HN 0.843 nan 8.290 nan 0.000 0.515 431 W N 2.782 124.152 121.300 0.117 0.000 1.664 431 W HA 0.543 5.203 4.660 -0.000 0.000 0.428 431 W C 1.299 177.921 176.519 0.172 0.000 0.726 431 W CA -0.250 57.213 57.345 0.196 0.000 1.774 431 W CB 0.008 29.667 29.460 0.332 0.000 1.801 431 W HN 0.483 nan 8.180 nan 0.000 0.243 432 S N 0.609 116.468 115.700 0.265 0.000 2.576 432 S HA -0.061 4.409 4.470 -0.000 0.000 0.272 432 S C 1.036 175.800 174.600 0.274 0.000 1.352 432 S CA -0.692 57.643 58.200 0.224 0.000 1.021 432 S CB 1.067 64.353 63.200 0.145 0.000 0.887 432 S HN 0.450 nan 8.310 nan 0.000 0.542 433 L N 1.008 122.365 121.223 0.222 0.000 2.127 433 L HA -0.052 4.288 4.340 -0.000 0.000 0.211 433 L C 2.205 179.183 176.870 0.180 0.000 1.089 433 L CA 1.896 56.858 54.840 0.203 0.000 0.757 433 L CB -1.277 40.881 42.059 0.165 0.000 0.899 433 L HN 0.834 nan 8.230 nan 0.000 0.434 434 E N -0.307 119.988 120.200 0.158 0.000 2.077 434 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 434 E C 2.263 178.959 176.600 0.160 0.000 0.989 434 E CA 1.432 57.912 56.400 0.134 0.000 0.800 434 E CB -0.514 29.250 29.700 0.107 0.000 0.746 434 E HN 0.599 nan 8.360 nan 0.000 0.452 435 A N 0.483 123.423 122.820 0.200 0.000 1.898 435 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 435 A C 2.178 180.018 177.584 0.426 0.000 1.181 435 A CA 1.044 53.238 52.037 0.262 0.000 0.620 435 A CB -0.613 18.510 19.000 0.204 0.000 0.819 435 A HN 0.184 nan 8.150 nan 0.000 0.442 436 L N -0.743 120.737 121.223 0.428 0.000 2.056 436 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 436 L C 2.789 179.762 176.870 0.172 0.000 1.078 436 L CA 1.711 56.736 54.840 0.309 0.000 0.749 436 L CB -0.840 41.350 42.059 0.219 0.000 0.901 436 L HN 0.347 nan 8.230 nan 0.000 0.433 437 T N -0.713 113.932 114.554 0.152 0.000 2.746 437 T HA -0.235 4.115 4.350 -0.000 0.000 0.267 437 T C 1.900 176.657 174.700 0.095 0.000 1.039 437 T CA 1.557 63.716 62.100 0.099 0.000 1.142 437 T CB -0.130 68.793 68.868 0.091 0.000 0.866 437 T HN 0.081 nan 8.240 nan 0.000 0.444 438 K N 1.105 121.579 120.400 0.123 0.000 2.057 438 K HA -0.031 4.289 4.320 -0.000 0.000 0.207 438 K C 2.047 178.718 176.600 0.119 0.000 1.049 438 K CA 0.930 57.284 56.287 0.112 0.000 0.931 438 K CB -0.801 31.771 32.500 0.121 0.000 0.714 438 K HN 0.217 nan 8.250 nan 0.000 0.440 439 L N 0.710 122.036 121.223 0.172 0.000 1.994 439 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 439 L C 1.922 178.821 176.870 0.050 0.000 1.071 439 L CA 1.748 56.680 54.840 0.152 0.000 0.745 439 L CB -0.606 41.591 42.059 0.230 0.000 0.892 439 L HN 0.279 nan 8.230 nan 0.000 0.431 440 L N -0.444 120.792 121.223 0.022 0.000 2.127 440 L HA -0.178 4.162 4.340 -0.000 0.000 0.211 440 L C 2.576 179.448 176.870 0.003 0.000 1.089 440 L CA 1.104 55.934 54.840 -0.016 0.000 0.757 440 L CB -0.967 41.081 42.059 -0.018 0.000 0.899 440 L HN 0.416 nan 8.230 nan 0.000 0.434 441 A N 0.022 122.858 122.820 0.026 0.000 2.119 441 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 441 A C 2.394 179.991 177.584 0.022 0.000 1.153 441 A CA 1.663 53.715 52.037 0.026 0.000 0.692 441 A CB -0.758 18.264 19.000 0.036 0.000 0.799 441 A HN 0.532 nan 8.150 nan 0.000 0.458 442 T N -2.962 111.605 114.554 0.023 0.000 2.915 442 T HA -0.139 4.211 4.350 -0.000 0.000 0.269 442 T C 1.706 176.408 174.700 0.002 0.000 1.071 442 T CA 1.378 63.488 62.100 0.017 0.000 1.132 442 T CB -0.203 68.679 68.868 0.024 0.000 0.878 442 T HN 0.415 nan 8.240 nan 0.000 0.479 443 Q N 1.218 121.012 119.800 -0.010 0.000 2.163 443 Q HA 0.224 4.564 4.340 -0.000 0.000 0.198 443 Q C 0.560 176.560 176.000 -0.001 0.000 0.954 443 Q CA 0.797 56.592 55.803 -0.014 0.000 0.851 443 Q CB -0.044 28.672 28.738 -0.035 0.000 0.928 443 Q HN 0.605 nan 8.270 nan 0.000 0.459 444 N N -0.742 117.961 118.700 0.004 0.000 2.747 444 N HA 0.253 4.993 4.740 -0.000 0.000 0.262 444 N C -0.534 174.983 175.510 0.011 0.000 1.261 444 N CA 0.310 53.365 53.050 0.008 0.000 0.809 444 N CB 0.959 39.452 38.487 0.010 0.000 1.450 444 N HN -0.055 nan 8.380 nan 0.000 0.560 445 A N 2.304 125.131 122.820 0.013 0.000 2.014 445 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 445 A C 1.697 179.290 177.584 0.014 0.000 1.163 445 A CA 1.299 53.345 52.037 0.015 0.000 0.652 445 A CB -0.063 18.946 19.000 0.016 0.000 0.808 445 A HN 0.627 nan 8.150 nan 0.000 0.449 446 Q N -0.665 119.141 119.800 0.011 0.000 2.123 446 Q HA 0.008 4.348 4.340 -0.000 0.000 0.199 446 Q C 0.490 176.496 176.000 0.009 0.000 0.966 446 Q CA 1.254 57.063 55.803 0.010 0.000 0.845 446 Q CB 0.139 28.881 28.738 0.007 0.000 0.907 446 Q HN 0.586 nan 8.270 nan 0.000 0.439 447 N N -1.079 117.627 118.700 0.009 0.000 2.726 447 N HA 0.186 4.926 4.740 -0.000 0.000 0.253 447 N C -2.527 172.989 175.510 0.009 0.000 1.530 447 N CA -1.580 51.475 53.050 0.008 0.000 0.772 447 N CB 0.976 39.467 38.487 0.006 0.000 1.220 447 N HN -0.170 nan 8.380 nan 0.000 0.508 448 P HA -0.137 nan 4.420 nan 0.000 0.215 448 P C 1.599 178.901 177.300 0.004 0.000 1.163 448 P CA 0.768 63.876 63.100 0.012 0.000 0.894 448 P CB 0.426 32.139 31.700 0.022 0.000 0.791 449 I N -0.812 119.760 120.570 0.003 0.000 2.423 449 I HA -0.217 3.953 4.170 -0.000 0.000 0.254 449 I C 2.246 178.354 176.117 -0.015 0.000 1.151 449 I CA 1.427 62.722 61.300 -0.010 0.000 1.421 449 I CB -0.421 37.578 38.000 -0.001 0.000 1.079 449 I HN -0.260 nan 8.210 nan 0.000 0.431 450 R N -0.001 120.496 120.500 -0.005 0.000 2.152 450 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 450 R C 2.063 178.366 176.300 0.005 0.000 1.117 450 R CA 1.661 57.759 56.100 -0.004 0.000 0.981 450 R CB -0.913 29.388 30.300 0.002 0.000 0.870 450 R HN 0.297 nan 8.270 nan 0.000 0.451 451 V N 0.738 120.664 119.914 0.020 0.000 2.282 451 V HA -0.269 3.851 4.120 -0.000 0.000 0.249 451 V C 2.182 178.336 176.094 0.100 0.000 1.057 451 V CA 1.975 64.317 62.300 0.069 0.000 1.032 451 V CB -0.659 31.199 31.823 0.058 0.000 0.645 451 V HN 0.340 nan 8.190 nan 0.000 0.447 452 L N 0.340 121.567 121.223 0.006 0.000 2.044 452 L HA -0.039 4.301 4.340 -0.000 0.000 0.205 452 L C 2.198 178.964 176.870 -0.173 0.000 1.075 452 L CA 1.850 56.602 54.840 -0.147 0.000 0.747 452 L CB -1.037 40.874 42.059 -0.247 0.000 0.903 452 L HN 0.257 nan 8.230 nan 0.000 0.435 453 N N -0.374 118.270 118.700 -0.094 0.000 2.069 453 N HA -0.236 4.504 4.740 -0.000 0.000 0.191 453 N C 1.880 177.351 175.510 -0.065 0.000 1.031 453 N CA 1.369 54.377 53.050 -0.070 0.000 0.852 453 N CB -0.267 38.199 38.487 -0.035 0.000 1.018 453 N HN 0.399 nan 8.380 nan 0.000 0.423 454 Q N 0.747 120.523 119.800 -0.041 0.000 2.124 454 Q HA 0.089 4.429 4.340 -0.000 0.000 0.202 454 Q C 1.775 177.749 176.000 -0.043 0.000 0.977 454 Q CA 1.584 57.372 55.803 -0.024 0.000 0.850 454 Q CB -0.485 28.255 28.738 0.003 0.000 0.901 454 Q HN 0.366 nan 8.270 nan 0.000 0.429 455 A N -0.288 122.483 122.820 -0.083 0.000 1.969 455 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 455 A C 2.022 179.497 177.584 -0.182 0.000 1.169 455 A CA 1.296 53.239 52.037 -0.156 0.000 0.635 455 A CB -0.556 18.199 19.000 -0.409 0.000 0.810 455 A HN 0.458 nan 8.150 nan 0.000 0.445 456 I N -0.615 119.851 120.570 -0.173 0.000 2.333 456 I HA -0.170 4.000 4.170 -0.000 0.000 0.246 456 I C 2.230 178.309 176.117 -0.062 0.000 1.106 456 I CA 0.753 61.980 61.300 -0.121 0.000 1.411 456 I CB -0.273 37.667 38.000 -0.101 0.000 1.082 456 I HN 0.248 nan 8.210 nan 0.000 0.420 457 L N 0.418 121.611 121.223 -0.049 0.000 2.083 457 L HA -0.214 4.125 4.340 -0.000 0.000 0.209 457 L C 1.637 178.495 176.870 -0.020 0.000 1.083 457 L CA 1.175 55.999 54.840 -0.027 0.000 0.752 457 L CB -0.594 41.452 42.059 -0.021 0.000 0.899 457 L HN 0.260 nan 8.230 nan 0.000 0.433 458 D N -0.267 120.119 120.400 -0.023 0.000 2.355 458 D HA 0.035 4.675 4.640 -0.000 0.000 0.218 458 D C 1.696 177.990 176.300 -0.010 0.000 1.004 458 D CA 1.034 55.027 54.000 -0.011 0.000 0.880 458 D CB 0.346 41.144 40.800 -0.003 0.000 0.911 458 D HN 0.386 nan 8.370 nan 0.000 0.528 459 G N 1.291 110.078 108.800 -0.022 0.000 2.179 459 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.260 459 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.260 459 G C 0.977 175.864 174.900 -0.021 0.000 0.977 459 G CA 0.705 45.796 45.100 -0.015 0.000 0.641 459 G HN 0.432 nan 8.290 nan 0.000 0.533 460 E N -0.429 119.752 120.200 -0.032 0.000 2.058 460 E HA 0.015 4.365 4.350 -0.000 0.000 0.194 460 E C 1.156 177.716 176.600 -0.068 0.000 0.997 460 E CA 0.945 57.327 56.400 -0.030 0.000 0.801 460 E CB -0.067 29.618 29.700 -0.024 0.000 0.746 460 E HN 0.635 nan 8.360 nan 0.000 0.450 461 L N -0.911 120.231 121.223 -0.135 0.000 2.330 461 L HA 0.432 4.771 4.340 -0.000 0.000 0.271 461 L C 0.714 177.533 176.870 -0.084 0.000 1.013 461 L CA -0.276 54.477 54.840 -0.145 0.000 0.816 461 L CB 1.772 43.656 42.059 -0.291 0.000 1.287 461 L HN -0.035 nan 8.230 nan 0.000 0.435 462 A N 1.276 124.064 122.820 -0.053 0.000 2.123 462 A HA 0.557 4.877 4.320 -0.000 0.000 0.214 462 A C 0.871 178.440 177.584 -0.026 0.000 1.152 462 A CA 0.933 52.954 52.037 -0.026 0.000 0.728 462 A CB -0.159 18.834 19.000 -0.013 0.000 0.814 462 A HN 0.983 nan 8.150 nan 0.000 0.464 463 G N -2.571 106.199 108.800 -0.050 0.000 2.339 463 G HA2 0.356 4.316 3.960 -0.000 0.000 0.275 463 G HA3 0.356 4.316 3.960 -0.000 0.000 0.275 463 G C -1.425 173.442 174.900 -0.055 0.000 1.323 463 G CA -0.136 44.938 45.100 -0.043 0.000 0.927 463 G HN 0.611 nan 8.290 nan 0.000 0.486 464 V N 0.254 120.119 119.914 -0.082 0.000 2.680 464 V HA 0.869 4.989 4.120 -0.000 0.000 0.309 464 V C 0.426 176.286 176.094 -0.390 0.000 1.052 464 V CA 0.036 62.243 62.300 -0.155 0.000 0.908 464 V CB 1.346 33.095 31.823 -0.123 0.000 1.001 464 V HN 1.998 nan 8.190 nan 0.000 0.431 465 A N 4.568 127.159 122.820 -0.382 0.000 2.393 465 A HA 0.836 5.156 4.320 -0.000 0.000 0.306 465 A C -1.308 176.006 177.584 -0.451 0.000 1.050 465 A CA -0.529 51.231 52.037 -0.462 0.000 0.724 465 A CB 1.730 20.573 19.000 -0.262 0.000 1.248 465 A HN 0.779 nan 8.150 nan 0.000 0.424 466 L N 4.320 125.219 121.223 -0.539 0.000 2.313 466 L HA 0.591 4.931 4.340 -0.000 0.000 0.283 466 L C -1.435 175.304 176.870 -0.218 0.000 1.013 466 L CA -0.496 54.153 54.840 -0.319 0.000 0.816 466 L CB 1.042 42.917 42.059 -0.306 0.000 1.236 466 L HN 0.557 nan 8.230 nan 0.000 0.419 467 I N 5.670 126.177 120.570 -0.105 0.000 2.378 467 I HA 0.445 4.615 4.170 -0.000 0.000 0.291 467 I C 0.370 176.482 176.117 -0.008 0.000 0.992 467 I CA -0.412 60.858 61.300 -0.050 0.000 1.154 467 I CB 1.041 39.020 38.000 -0.035 0.000 1.315 467 I HN 0.712 nan 8.210 nan 0.000 0.448 468 C N 2.623 121.943 119.300 0.034 0.000 3.318 468 C HA 1.010 5.470 4.460 -0.000 0.000 0.329 468 C C 0.520 175.568 174.990 0.096 0.000 1.449 468 C CA 0.108 59.169 59.018 0.071 0.000 1.397 468 C CB 1.139 28.969 27.740 0.150 0.000 1.810 468 C HN 1.332 nan 8.230 nan 0.000 0.449 469 G N -0.297 108.563 108.800 0.100 0.000 2.642 469 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.231 469 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.231 469 G C -0.136 174.845 174.900 0.136 0.000 1.338 469 G CA -0.180 44.989 45.100 0.114 0.000 0.883 469 G HN 1.732 nan 8.290 nan 0.000 0.570 470 C N -0.605 118.772 119.300 0.128 0.000 2.644 470 C HA 0.613 5.073 4.460 -0.000 0.000 0.330 470 C C 1.070 176.220 174.990 0.267 0.000 1.606 470 C CA -0.359 58.723 59.018 0.106 0.000 2.115 470 C CB -0.190 27.515 27.740 -0.059 0.000 1.990 470 C HN 0.842 nan 8.230 nan 0.000 0.581 471 N N 1.103 119.954 118.700 0.252 0.000 2.466 471 N HA 0.397 5.137 4.740 -0.000 0.000 0.294 471 N C -0.843 174.756 175.510 0.148 0.000 1.129 471 N CA -0.274 52.916 53.050 0.234 0.000 0.931 471 N CB 0.597 39.264 38.487 0.300 0.000 1.193 471 N HN 0.620 nan 8.380 nan 0.000 0.500 472 N N 1.779 120.521 118.700 0.070 0.000 2.549 472 N HA 0.171 4.911 4.740 -0.000 0.000 0.290 472 N C -0.451 175.042 175.510 -0.029 0.000 1.122 472 N CA -0.298 52.783 53.050 0.051 0.000 0.885 472 N CB 1.138 39.655 38.487 0.049 0.000 1.455 472 N HN 0.496 nan 8.380 nan 0.000 0.521 473 L N 2.834 123.986 121.223 -0.118 0.000 2.622 473 L HA 0.040 4.380 4.340 -0.000 0.000 0.233 473 L C 1.946 178.335 176.870 -0.803 0.000 1.156 473 L CA 0.445 55.013 54.840 -0.455 0.000 0.866 473 L CB -0.027 41.642 42.059 -0.651 0.000 0.980 473 L HN 0.447 nan 8.230 nan 0.000 0.448 474 K N 0.535 120.785 120.400 -0.249 0.000 2.089 474 K HA -0.113 4.207 4.320 -0.000 0.000 0.210 474 K C 1.152 177.727 176.600 -0.041 0.000 1.048 474 K CA 1.177 57.474 56.287 0.017 0.000 0.926 474 K CB -0.235 32.382 32.500 0.196 0.000 0.714 474 K HN 0.386 nan 8.250 nan 0.000 0.448 475 G N -0.196 108.583 108.800 -0.034 0.000 2.417 475 G HA2 0.409 4.369 3.960 -0.000 0.000 0.334 475 G HA3 0.409 4.369 3.960 -0.000 0.000 0.334 475 G C -0.742 174.236 174.900 0.129 0.000 1.150 475 G CA -0.784 44.328 45.100 0.020 0.000 0.923 475 G HN -0.090 nan 8.290 nan 0.000 0.485 476 F N 0.578 120.475 119.950 -0.088 0.000 2.608 476 F HA 0.083 4.610 4.527 -0.000 0.000 0.380 476 F C 1.363 177.154 175.800 -0.015 0.000 1.083 476 F CA -0.501 57.474 58.000 -0.041 0.000 1.266 476 F CB 0.513 39.507 39.000 -0.010 0.000 1.076 476 F HN 0.444 nan 8.300 nan 0.000 0.574 477 Q N 3.637 123.544 119.800 0.179 0.000 2.320 477 Q HA -0.109 4.231 4.340 -0.000 0.000 0.311 477 Q C 0.048 176.142 176.000 0.158 0.000 1.083 477 Q CA 0.696 56.594 55.803 0.158 0.000 1.001 477 Q CB 0.084 28.956 28.738 0.224 0.000 1.074 477 Q HN 0.733 nan 8.270 nan 0.000 0.379 478 D N 2.047 122.534 120.400 0.144 0.000 2.911 478 D HA -0.239 4.401 4.640 -0.000 0.000 0.199 478 D C 0.514 176.872 176.300 0.097 0.000 1.041 478 D CA 1.397 55.506 54.000 0.182 0.000 1.013 478 D CB -1.152 39.757 40.800 0.181 0.000 1.093 478 D HN 0.770 nan 8.370 nan 0.000 0.431 479 N N 0.138 118.878 118.700 0.066 0.000 2.171 479 N HA -0.035 4.705 4.740 -0.000 0.000 0.184 479 N C 1.491 176.992 175.510 -0.015 0.000 1.021 479 N CA 2.066 55.141 53.050 0.043 0.000 0.854 479 N CB 0.065 38.591 38.487 0.064 0.000 0.994 479 N HN 0.147 nan 8.380 nan 0.000 0.426 480 S N -0.589 115.066 115.700 -0.075 0.000 2.395 480 S HA -0.034 4.436 4.470 -0.000 0.000 0.225 480 S C 1.512 176.072 174.600 -0.067 0.000 1.027 480 S CA 0.398 58.545 58.200 -0.088 0.000 0.965 480 S CB -0.471 62.665 63.200 -0.107 0.000 0.812 480 S HN 0.446 nan 8.310 nan 0.000 0.482 481 H N 1.585 120.666 119.070 0.017 0.000 2.290 481 H HA -0.006 4.550 4.556 -0.000 0.000 0.298 481 H C 2.203 177.505 175.328 -0.044 0.000 1.087 481 H CA 1.057 57.101 56.048 -0.007 0.000 1.291 481 H CB -0.719 29.041 29.762 -0.004 0.000 1.369 481 H HN 0.224 nan 8.280 nan 0.000 0.492 482 L N 0.439 121.712 121.223 0.083 0.000 2.046 482 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 482 L C 2.378 179.210 176.870 -0.065 0.000 1.077 482 L CA 1.611 56.437 54.840 -0.022 0.000 0.747 482 L CB -0.905 41.144 42.059 -0.018 0.000 0.896 482 L HN 0.306 nan 8.230 nan 0.000 0.432 483 T N -0.479 114.050 114.554 -0.041 0.000 2.746 483 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 483 T C 2.087 176.748 174.700 -0.066 0.000 1.039 483 T CA 1.121 63.189 62.100 -0.054 0.000 1.142 483 T CB -0.217 68.622 68.868 -0.047 0.000 0.866 483 T HN 0.070 nan 8.240 nan 0.000 0.444 484 V N 1.604 121.485 119.914 -0.054 0.000 2.261 484 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 484 V C 2.505 178.552 176.094 -0.078 0.000 1.047 484 V CA 1.806 64.065 62.300 -0.068 0.000 1.015 484 V CB -0.604 31.196 31.823 -0.038 0.000 0.642 484 V HN 0.476 nan 8.190 nan 0.000 0.446 485 M N -0.696 118.858 119.600 -0.076 0.000 2.086 485 M HA -0.223 4.257 4.480 -0.000 0.000 0.261 485 M C 2.301 178.517 176.300 -0.140 0.000 1.067 485 M CA 1.966 57.201 55.300 -0.109 0.000 1.116 485 M CB -0.574 31.952 32.600 -0.124 0.000 1.348 485 M HN 0.196 nan 8.290 nan 0.000 0.407 486 K N 0.007 120.295 120.400 -0.186 0.000 2.044 486 K HA -0.247 4.072 4.320 -0.000 0.000 0.210 486 K C 1.966 178.524 176.600 -0.070 0.000 1.049 486 K CA 1.845 58.022 56.287 -0.183 0.000 0.927 486 K CB -0.234 32.152 32.500 -0.189 0.000 0.713 486 K HN 0.181 nan 8.250 nan 0.000 0.443 487 E N 1.036 121.196 120.200 -0.067 0.000 2.152 487 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 487 E C 1.773 178.344 176.600 -0.048 0.000 0.983 487 E CA 0.830 57.201 56.400 -0.048 0.000 0.818 487 E CB -0.032 29.632 29.700 -0.060 0.000 0.758 487 E HN 0.205 nan 8.360 nan 0.000 0.467 488 L N -0.104 121.081 121.223 -0.065 0.000 2.056 488 L HA -0.123 4.216 4.340 -0.000 0.000 0.207 488 L C 2.451 179.299 176.870 -0.037 0.000 1.078 488 L CA 0.838 55.642 54.840 -0.060 0.000 0.749 488 L CB -0.497 41.512 42.059 -0.082 0.000 0.901 488 L HN 0.200 nan 8.230 nan 0.000 0.433 489 L N 0.187 121.390 121.223 -0.033 0.000 2.042 489 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 489 L C 2.724 179.615 176.870 0.035 0.000 1.076 489 L CA 1.561 56.404 54.840 0.005 0.000 0.749 489 L CB -0.582 41.486 42.059 0.016 0.000 0.893 489 L HN 0.288 nan 8.230 nan 0.000 0.432 490 K N 0.338 120.758 120.400 0.033 0.000 2.103 490 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 490 K C 1.193 177.807 176.600 0.023 0.000 1.048 490 K CA 1.426 57.737 56.287 0.040 0.000 0.930 490 K CB 0.021 32.541 32.500 0.032 0.000 0.716 490 K HN 0.336 nan 8.250 nan 0.000 0.444 491 N N 1.672 120.376 118.700 0.007 0.000 2.327 491 N HA 0.025 4.765 4.740 -0.000 0.000 0.231 491 N C -0.859 174.652 175.510 0.002 0.000 1.130 491 N CA 0.122 53.173 53.050 0.001 0.000 0.845 491 N CB 0.392 38.872 38.487 -0.012 0.000 1.073 491 N HN 0.252 nan 8.380 nan 0.000 0.496 492 N N -0.212 118.496 118.700 0.014 0.000 2.747 492 N HA -0.141 4.599 4.740 -0.000 0.000 0.249 492 N C -0.663 174.847 175.510 0.001 0.000 1.107 492 N CA 0.391 53.451 53.050 0.016 0.000 0.707 492 N CB -1.518 36.975 38.487 0.011 0.000 1.054 492 N HN 0.041 nan 8.380 nan 0.000 0.555 493 V N 1.450 121.362 119.914 -0.003 0.000 2.432 493 V HA 0.265 4.385 4.120 -0.000 0.000 0.275 493 V C 0.634 176.746 176.094 0.029 0.000 1.043 493 V CA -0.667 61.627 62.300 -0.011 0.000 0.925 493 V CB 0.833 32.627 31.823 -0.048 0.000 0.985 493 V HN 0.214 nan 8.190 nan 0.000 0.466 494 F N 6.098 125.976 119.950 -0.119 0.000 2.506 494 F HA 0.401 4.928 4.527 -0.000 0.000 0.371 494 F C 0.066 175.808 175.800 -0.097 0.000 1.078 494 F CA 0.134 58.077 58.000 -0.095 0.000 1.195 494 F CB 0.684 39.581 39.000 -0.172 0.000 1.099 494 F HN 0.248 nan 8.300 nan 0.000 0.548 495 V N 7.834 127.504 119.914 -0.406 0.000 2.384 495 V HA 0.449 4.569 4.120 -0.000 0.000 0.287 495 V C -0.366 175.564 176.094 -0.274 0.000 1.020 495 V CA -0.690 61.455 62.300 -0.258 0.000 0.850 495 V CB 1.332 33.057 31.823 -0.164 0.000 0.987 495 V HN 0.701 nan 8.190 nan 0.000 0.436 496 V N 2.268 122.097 119.914 -0.143 0.000 2.881 496 V HA 1.088 5.208 4.120 -0.000 0.000 0.316 496 V C -0.051 176.047 176.094 0.006 0.000 1.070 496 V CA -0.564 61.732 62.300 -0.006 0.000 0.976 496 V CB 1.685 33.575 31.823 0.111 0.000 1.038 496 V HN 1.206 nan 8.190 nan 0.000 0.446 497 A N 2.001 124.862 122.820 0.068 0.000 2.606 497 A HA 0.996 5.316 4.320 -0.000 0.000 0.293 497 A C -0.307 177.312 177.584 0.059 0.000 1.082 497 A CA -0.033 52.010 52.037 0.010 0.000 0.685 497 A CB 1.825 20.765 19.000 -0.101 0.000 1.284 497 A HN 2.020 nan 8.150 nan 0.000 0.408 498 T N -2.020 112.556 114.554 0.036 0.000 2.787 498 T HA 0.862 5.212 4.350 -0.000 0.000 0.297 498 T C 0.710 175.432 174.700 0.037 0.000 1.221 498 T CA 0.402 62.565 62.100 0.105 0.000 1.006 498 T CB 0.873 69.874 68.868 0.220 0.000 1.328 498 T HN 2.740 nan 8.240 nan 0.000 0.509 499 G N -0.299 108.571 108.800 0.118 0.000 2.575 499 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.267 499 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.267 499 G C 1.084 175.995 174.900 0.019 0.000 1.264 499 G CA 0.105 45.271 45.100 0.110 0.000 0.935 499 G HN 1.443 nan 8.290 nan 0.000 0.568 500 C N 0.147 119.461 119.300 0.024 0.000 2.432 500 C HA 0.189 4.649 4.460 -0.000 0.000 0.282 500 C C 3.227 178.075 174.990 -0.236 0.000 1.388 500 C CA 1.705 60.715 59.018 -0.012 0.000 1.777 500 C CB -1.230 26.575 27.740 0.107 0.000 1.882 500 C HN 0.901 nan 8.230 nan 0.000 0.520 501 S N 1.103 116.567 115.700 -0.394 0.000 2.356 501 S HA -0.133 4.337 4.470 -0.000 0.000 0.223 501 S C 2.110 176.451 174.600 -0.431 0.000 1.032 501 S CA 1.641 59.383 58.200 -0.763 0.000 1.005 501 S CB -0.275 62.667 63.200 -0.431 0.000 0.867 501 S HN 0.626 nan 8.310 nan 0.000 0.449 502 A N 0.987 123.609 122.820 -0.330 0.000 1.933 502 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 502 A C 2.136 179.524 177.584 -0.326 0.000 1.175 502 A CA 1.511 53.294 52.037 -0.425 0.000 0.628 502 A CB -0.672 17.793 19.000 -0.892 0.000 0.814 502 A HN 0.726 nan 8.150 nan 0.000 0.444 503 Q N -0.555 119.122 119.800 -0.205 0.000 2.124 503 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 503 Q C 2.436 178.401 176.000 -0.059 0.000 0.977 503 Q CA 1.243 57.003 55.803 -0.071 0.000 0.850 503 Q CB -0.409 28.329 28.738 -0.001 0.000 0.901 503 Q HN 0.693 nan 8.270 nan 0.000 0.429 504 A N 1.604 124.363 122.820 -0.101 0.000 1.865 504 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 504 A C 2.398 179.955 177.584 -0.045 0.000 1.191 504 A CA 1.765 53.777 52.037 -0.042 0.000 0.623 504 A CB -0.903 18.078 19.000 -0.033 0.000 0.826 504 A HN 0.399 nan 8.150 nan 0.000 0.444 505 A N -0.558 122.205 122.820 -0.094 0.000 1.892 505 A HA 0.042 4.362 4.320 -0.000 0.000 0.218 505 A C 2.439 180.001 177.584 -0.036 0.000 1.188 505 A CA 2.237 54.227 52.037 -0.078 0.000 0.631 505 A CB -1.491 17.441 19.000 -0.114 0.000 0.822 505 A HN 0.778 nan 8.150 nan 0.000 0.447 506 G N -0.438 108.346 108.800 -0.027 0.000 2.433 506 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 506 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 506 G C 1.658 176.570 174.900 0.019 0.000 1.186 506 G CA 1.067 46.178 45.100 0.018 0.000 0.779 506 G HN 0.575 nan 8.290 nan 0.000 0.543 507 K N -0.108 120.300 120.400 0.014 0.000 2.113 507 K HA 0.006 4.326 4.320 -0.000 0.000 0.208 507 K C 2.036 178.649 176.600 0.021 0.000 1.047 507 K CA 0.947 57.244 56.287 0.017 0.000 0.928 507 K CB -0.212 32.299 32.500 0.018 0.000 0.716 507 K HN 0.301 nan 8.250 nan 0.000 0.446 508 L N -1.131 120.104 121.223 0.021 0.000 2.728 508 L HA 0.239 4.579 4.340 -0.000 0.000 0.238 508 L C 0.965 177.865 176.870 0.050 0.000 1.143 508 L CA 0.115 54.973 54.840 0.031 0.000 0.937 508 L CB 0.802 42.877 42.059 0.027 0.000 1.225 508 L HN 0.424 nan 8.230 nan 0.000 0.507 509 G N 0.033 108.862 108.800 0.048 0.000 2.184 509 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.206 509 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.206 509 G C 0.409 175.366 174.900 0.095 0.000 0.995 509 G CA -0.221 44.926 45.100 0.078 0.000 0.651 509 G HN 0.153 nan 8.290 nan 0.000 0.511 510 L N 0.651 121.899 121.223 0.040 0.000 2.599 510 L HA 0.436 4.776 4.340 -0.000 0.000 0.230 510 L C 2.140 179.002 176.870 -0.012 0.000 1.141 510 L CA 0.913 55.759 54.840 0.010 0.000 0.877 510 L CB 0.033 42.031 42.059 -0.102 0.000 1.009 510 L HN 0.391 nan 8.230 nan 0.000 0.447 511 L N -1.477 119.748 121.223 0.002 0.000 2.728 511 L HA 0.225 4.565 4.340 -0.000 0.000 0.238 511 L C 0.152 177.026 176.870 0.008 0.000 1.143 511 L CA -0.177 54.662 54.840 -0.001 0.000 0.937 511 L CB 0.091 42.178 42.059 0.046 0.000 1.225 511 L HN 0.044 nan 8.230 nan 0.000 0.507 512 D N 1.120 121.532 120.400 0.020 0.000 2.313 512 D HA 0.181 4.821 4.640 -0.000 0.000 0.239 512 D C -1.710 174.598 176.300 0.013 0.000 1.142 512 D CA -2.153 51.860 54.000 0.022 0.000 0.847 512 D CB 2.069 42.889 40.800 0.033 0.000 1.082 512 D HN -0.172 nan 8.370 nan 0.000 0.480 513 P HA -0.141 nan 4.420 nan 0.000 0.218 513 P C 0.842 178.147 177.300 0.008 0.000 1.146 513 P CA 1.214 64.316 63.100 0.003 0.000 0.813 513 P CB 0.209 31.920 31.700 0.017 0.000 0.778 514 A N -0.932 121.892 122.820 0.007 0.000 2.172 514 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 514 A C 1.799 179.370 177.584 -0.021 0.000 1.154 514 A CA 1.355 53.389 52.037 -0.005 0.000 0.701 514 A CB -0.888 18.108 19.000 -0.006 0.000 0.789 514 A HN 0.151 nan 8.150 nan 0.000 0.465 515 N N -0.638 118.060 118.700 -0.003 0.000 2.230 515 N HA 0.099 4.839 4.740 -0.000 0.000 0.202 515 N C 1.245 176.767 175.510 0.020 0.000 1.119 515 N CA 0.286 53.323 53.050 -0.022 0.000 0.851 515 N CB 0.523 39.057 38.487 0.078 0.000 0.990 515 N HN 0.209 nan 8.380 nan 0.000 0.497 516 V N 1.005 120.935 119.914 0.028 0.000 2.332 516 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 516 V C 2.453 178.559 176.094 0.021 0.000 1.055 516 V CA 1.752 64.080 62.300 0.047 0.000 1.038 516 V CB -0.267 31.584 31.823 0.046 0.000 0.651 516 V HN 0.246 nan 8.190 nan 0.000 0.450 517 E N 0.572 120.762 120.200 -0.018 0.000 2.077 517 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 517 E C 2.139 178.681 176.600 -0.097 0.000 0.989 517 E CA 2.173 58.550 56.400 -0.039 0.000 0.800 517 E CB -0.578 29.098 29.700 -0.039 0.000 0.746 517 E HN 0.617 nan 8.360 nan 0.000 0.452 518 T N -0.869 113.558 114.554 -0.211 0.000 2.720 518 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 518 T C 1.184 175.621 174.700 -0.437 0.000 1.037 518 T CA 1.862 63.692 62.100 -0.449 0.000 1.144 518 T CB -0.336 68.040 68.868 -0.819 0.000 0.864 518 T HN 0.348 nan 8.240 nan 0.000 0.444 519 Y N -0.864 119.438 120.300 0.003 0.000 2.526 519 Y HA 0.312 4.861 4.550 -0.000 0.000 0.265 519 Y C 1.176 177.079 175.900 0.004 0.000 1.092 519 Y CA -0.984 57.116 58.100 0.000 0.000 1.277 519 Y CB 0.568 39.024 38.460 -0.007 0.000 1.228 519 Y HN 0.082 nan 8.280 nan 0.000 0.507 520 C N 1.806 121.195 119.300 0.148 0.000 2.452 520 C HA 0.593 5.053 4.460 -0.000 0.000 0.379 520 C C 1.316 176.353 174.990 0.078 0.000 1.275 520 C CA -0.955 58.129 59.018 0.109 0.000 2.056 520 C CB -0.111 27.693 27.740 0.106 0.000 2.506 520 C HN 0.529 nan 8.230 nan 0.000 0.560 521 G N 1.824 110.666 108.800 0.069 0.000 2.616 521 G HA2 0.204 4.164 3.960 -0.000 0.000 0.268 521 G HA3 0.204 4.164 3.960 -0.000 0.000 0.268 521 G C 0.453 175.387 174.900 0.057 0.000 1.213 521 G CA -0.148 44.984 45.100 0.053 0.000 0.926 521 G HN 0.774 nan 8.290 nan 0.000 0.523 522 D N 0.224 120.652 120.400 0.048 0.000 2.178 522 D HA -0.084 4.556 4.640 -0.000 0.000 0.202 522 D C 2.482 178.823 176.300 0.068 0.000 0.974 522 D CA 1.433 55.464 54.000 0.052 0.000 0.841 522 D CB -0.385 40.439 40.800 0.040 0.000 0.953 522 D HN 0.436 nan 8.370 nan 0.000 0.478 523 G N 1.032 109.869 108.800 0.062 0.000 2.414 523 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.215 523 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.215 523 G C 1.594 176.565 174.900 0.118 0.000 1.188 523 G CA 0.558 45.700 45.100 0.070 0.000 0.783 523 G HN 0.251 nan 8.290 nan 0.000 0.537 524 L N 0.947 122.237 121.223 0.112 0.000 2.017 524 L HA 0.066 4.406 4.340 -0.000 0.000 0.208 524 L C 2.676 179.681 176.870 0.225 0.000 1.073 524 L CA 2.666 57.615 54.840 0.182 0.000 0.745 524 L CB -0.643 41.500 42.059 0.140 0.000 0.894 524 L HN 0.289 nan 8.230 nan 0.000 0.432 525 K N -0.792 119.698 120.400 0.150 0.000 2.044 525 K HA -0.164 4.156 4.320 -0.000 0.000 0.210 525 K C 1.971 178.648 176.600 0.129 0.000 1.049 525 K CA 1.682 58.045 56.287 0.126 0.000 0.927 525 K CB -0.750 31.800 32.500 0.083 0.000 0.713 525 K HN 0.496 nan 8.250 nan 0.000 0.443 526 G N 0.071 108.948 108.800 0.128 0.000 2.422 526 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 526 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 526 G C 1.299 176.288 174.900 0.149 0.000 1.140 526 G CA 0.559 45.728 45.100 0.115 0.000 0.775 526 G HN 0.405 nan 8.290 nan 0.000 0.545 527 F N 1.178 121.161 119.950 0.054 0.000 2.113 527 F HA 0.115 4.642 4.527 -0.000 0.000 0.297 527 F C 2.383 178.230 175.800 0.078 0.000 1.103 527 F CA 1.001 59.033 58.000 0.054 0.000 1.248 527 F CB -0.156 38.877 39.000 0.056 0.000 0.999 527 F HN 0.024 nan 8.300 nan 0.000 0.475 528 L N 0.272 121.589 121.223 0.156 0.000 2.141 528 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 528 L C 2.546 179.424 176.870 0.014 0.000 1.094 528 L CA 1.516 56.404 54.840 0.080 0.000 0.763 528 L CB -0.754 41.428 42.059 0.205 0.000 0.908 528 L HN 0.158 nan 8.230 nan 0.000 0.437 529 K N 0.711 121.128 120.400 0.028 0.000 2.057 529 K HA -0.213 4.107 4.320 -0.000 0.000 0.206 529 K C 2.331 178.920 176.600 -0.018 0.000 1.050 529 K CA 1.190 57.487 56.287 0.017 0.000 0.935 529 K CB 0.036 32.555 32.500 0.032 0.000 0.715 529 K HN 0.090 nan 8.250 nan 0.000 0.439 530 R N 0.748 121.218 120.500 -0.050 0.000 2.073 530 R HA -0.083 4.257 4.340 -0.000 0.000 0.234 530 R C 2.387 178.612 176.300 -0.125 0.000 1.134 530 R CA 1.319 57.371 56.100 -0.079 0.000 0.952 530 R CB -0.260 29.987 30.300 -0.088 0.000 0.850 530 R HN 0.218 nan 8.270 nan 0.000 0.433 531 L N -0.533 120.552 121.223 -0.230 0.000 2.012 531 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 531 L C 2.439 179.277 176.870 -0.053 0.000 1.073 531 L CA 1.634 56.352 54.840 -0.203 0.000 0.748 531 L CB -0.755 41.123 42.059 -0.301 0.000 0.891 531 L HN 0.502 nan 8.230 nan 0.000 0.431 532 G N -0.991 107.802 108.800 -0.012 0.000 2.598 532 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.215 532 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.215 532 G C 1.295 176.213 174.900 0.030 0.000 1.131 532 G CA 0.093 45.218 45.100 0.041 0.000 0.785 532 G HN 0.413 nan 8.290 nan 0.000 0.539 533 E N 0.243 120.447 120.200 0.007 0.000 2.502 533 E HA 0.143 4.493 4.350 -0.000 0.000 0.194 533 E C 1.716 178.321 176.600 0.009 0.000 1.062 533 E CA -0.319 56.086 56.400 0.009 0.000 0.867 533 E CB 0.263 29.964 29.700 0.002 0.000 0.888 533 E HN 0.318 nan 8.360 nan 0.000 0.510 534 G N 1.283 110.087 108.800 0.007 0.000 2.559 534 G HA2 0.206 4.166 3.960 -0.000 0.000 0.235 534 G HA3 0.206 4.166 3.960 -0.000 0.000 0.235 534 G C 0.011 174.926 174.900 0.025 0.000 1.266 534 G CA -0.094 45.013 45.100 0.012 0.000 0.847 534 G HN 0.232 nan 8.290 nan 0.000 0.583 535 A N 1.235 124.069 122.820 0.023 0.000 2.567 535 A HA 0.270 4.590 4.320 -0.000 0.000 0.240 535 A C 1.175 178.779 177.584 0.034 0.000 1.053 535 A CA 0.772 52.824 52.037 0.025 0.000 0.755 535 A CB -0.508 18.505 19.000 0.021 0.000 0.978 535 A HN 1.241 nan 8.150 nan 0.000 0.507 536 N N -0.690 118.029 118.700 0.032 0.000 2.753 536 N HA -0.149 4.591 4.740 -0.000 0.000 0.251 536 N C -0.360 175.181 175.510 0.050 0.000 1.097 536 N CA 0.862 53.934 53.050 0.036 0.000 0.786 536 N CB -1.115 37.392 38.487 0.033 0.000 1.137 536 N HN 0.556 nan 8.380 nan 0.000 0.566 537 I N 1.164 121.770 120.570 0.059 0.000 2.227 537 I HA 0.070 4.240 4.170 -0.000 0.000 0.297 537 I C 1.173 177.336 176.117 0.076 0.000 1.173 537 I CA 0.347 61.699 61.300 0.086 0.000 1.356 537 I CB 0.360 38.422 38.000 0.104 0.000 1.485 537 I HN 0.127 nan 8.210 nan 0.000 0.604 538 E N 3.157 123.395 120.200 0.063 0.000 2.190 538 E HA 0.145 4.495 4.350 -0.000 0.000 0.191 538 E C 0.989 177.622 176.600 0.055 0.000 0.978 538 E CA 0.229 56.658 56.400 0.048 0.000 0.839 538 E CB 0.964 30.683 29.700 0.031 0.000 0.787 538 E HN 0.524 nan 8.360 nan 0.000 0.473 539 I N 1.464 122.076 120.570 0.070 0.000 2.696 539 I HA 0.062 4.232 4.170 -0.000 0.000 0.284 539 I C 0.680 176.863 176.117 0.111 0.000 1.129 539 I CA -0.047 61.299 61.300 0.076 0.000 1.410 539 I CB 0.815 38.852 38.000 0.061 0.000 1.399 539 I HN -0.042 nan 8.210 nan 0.000 0.579 540 G N 7.018 115.871 108.800 0.089 0.000 2.527 540 G HA2 0.361 4.321 3.960 -0.000 0.000 0.248 540 G HA3 0.361 4.321 3.960 -0.000 0.000 0.248 540 G C -0.581 174.393 174.900 0.124 0.000 1.231 540 G CA -0.682 44.471 45.100 0.089 0.000 0.838 540 G HN 0.564 nan 8.290 nan 0.000 0.570 541 L N 3.061 124.342 121.223 0.096 0.000 2.289 541 L HA 0.336 4.676 4.340 -0.000 0.000 0.285 541 L C -1.746 175.063 176.870 -0.102 0.000 1.049 541 L CA -1.783 53.086 54.840 0.047 0.000 0.804 541 L CB 2.011 44.150 42.059 0.134 0.000 1.195 541 L HN 0.376 nan 8.230 nan 0.000 0.428 542 P HA 0.230 nan 4.420 nan 0.000 0.276 542 P C -2.364 174.714 177.300 -0.371 0.000 1.252 542 P CA -1.683 61.232 63.100 -0.308 0.000 0.802 542 P CB 0.595 32.096 31.700 -0.330 0.000 1.035 543 P HA -0.020 nan 4.420 nan 0.000 0.222 543 P C 0.250 177.472 177.300 -0.130 0.000 1.153 543 P CA 1.013 64.071 63.100 -0.071 0.000 0.798 543 P CB 0.320 32.044 31.700 0.040 0.000 0.796 544 V N 0.669 120.458 119.914 -0.209 0.000 2.495 544 V HA 0.305 4.425 4.120 -0.000 0.000 0.298 544 V C -0.439 175.509 176.094 -0.242 0.000 1.031 544 V CA -0.668 61.537 62.300 -0.158 0.000 0.871 544 V CB 1.427 33.182 31.823 -0.113 0.000 0.988 544 V HN -0.205 nan 8.190 nan 0.000 0.432 545 F N 3.757 123.549 119.950 -0.263 0.000 2.350 545 F HA 0.354 4.881 4.527 -0.000 0.000 0.365 545 F C 0.638 176.526 175.800 0.147 0.000 1.122 545 F CA -0.501 57.383 58.000 -0.193 0.000 1.139 545 F CB 0.284 38.972 39.000 -0.519 0.000 1.220 545 F HN 0.503 nan 8.300 nan 0.000 0.499 546 H N 5.274 124.541 119.070 0.328 0.000 3.086 546 H HA 0.157 4.713 4.556 -0.000 0.000 0.265 546 H C 0.518 176.068 175.328 0.370 0.000 1.092 546 H CA 0.182 56.399 56.048 0.281 0.000 1.487 546 H CB 0.661 30.545 29.762 0.203 0.000 1.514 546 H HN 0.711 nan 8.280 nan 0.000 0.497 547 M N 3.362 123.310 119.600 0.580 0.000 2.428 547 M HA 0.191 4.671 4.480 -0.000 0.000 0.239 547 M C 0.972 177.475 176.300 0.338 0.000 1.121 547 M CA 0.642 56.199 55.300 0.429 0.000 1.019 547 M CB 0.716 33.537 32.600 0.368 0.000 1.485 547 M HN 0.803 nan 8.290 nan 0.000 0.484 548 G N 0.173 109.233 108.800 0.432 0.000 2.270 548 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.268 548 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.268 548 G C -0.556 174.549 174.900 0.343 0.000 1.312 548 G CA -0.380 44.873 45.100 0.255 0.000 1.050 548 G HN 0.352 nan 8.290 nan 0.000 0.474 549 S N -0.983 114.858 115.700 0.236 0.000 2.598 549 S HA 0.250 4.720 4.470 -0.000 0.000 0.256 549 S C 1.723 176.467 174.600 0.239 0.000 1.350 549 S CA 0.646 58.986 58.200 0.234 0.000 0.984 549 S CB 0.630 63.960 63.200 0.217 0.000 0.930 549 S HN 1.464 nan 8.310 nan 0.000 0.577 550 C N 0.395 119.854 119.300 0.265 0.000 2.411 550 C HA -0.064 4.396 4.460 -0.000 0.000 0.279 550 C C 2.825 177.932 174.990 0.195 0.000 1.288 550 C CA 0.582 59.763 59.018 0.272 0.000 1.764 550 C CB -1.960 25.991 27.740 0.351 0.000 1.974 550 C HN 0.828 nan 8.230 nan 0.000 0.498 551 V N -0.123 119.867 119.914 0.128 0.000 2.626 551 V HA -0.128 3.992 4.120 -0.000 0.000 0.252 551 V C 1.453 177.537 176.094 -0.016 0.000 1.067 551 V CA 2.297 64.554 62.300 -0.071 0.000 1.081 551 V CB -0.856 30.832 31.823 -0.225 0.000 0.686 551 V HN 0.336 nan 8.190 nan 0.000 0.468 552 D N 0.971 121.421 120.400 0.083 0.000 2.378 552 D HA -0.040 4.600 4.640 -0.000 0.000 0.227 552 D C 1.774 178.182 176.300 0.181 0.000 1.012 552 D CA 0.401 54.463 54.000 0.102 0.000 0.905 552 D CB -0.546 40.342 40.800 0.146 0.000 0.895 552 D HN 0.474 nan 8.370 nan 0.000 0.532 553 N N 0.287 119.132 118.700 0.242 0.000 2.348 553 N HA -0.144 4.596 4.740 -0.000 0.000 0.185 553 N C 1.783 177.497 175.510 0.340 0.000 1.019 553 N CA 0.887 54.182 53.050 0.408 0.000 0.880 553 N CB -0.072 38.726 38.487 0.518 0.000 0.965 553 N HN 0.252 nan 8.380 nan 0.000 0.437 554 S N 1.150 116.906 115.700 0.092 0.000 2.400 554 S HA -0.103 4.367 4.470 -0.000 0.000 0.232 554 S C 1.803 176.376 174.600 -0.045 0.000 1.025 554 S CA 0.621 58.764 58.200 -0.095 0.000 0.993 554 S CB -0.241 62.660 63.200 -0.499 0.000 0.808 554 S HN 0.330 nan 8.310 nan 0.000 0.478 555 R N 1.542 122.057 120.500 0.024 0.000 2.120 555 R HA 0.117 4.457 4.340 -0.000 0.000 0.234 555 R C 2.681 179.123 176.300 0.236 0.000 1.123 555 R CA 1.223 57.390 56.100 0.112 0.000 0.975 555 R CB -0.711 29.681 30.300 0.153 0.000 0.866 555 R HN 0.590 nan 8.270 nan 0.000 0.446 556 A N 0.908 123.944 122.820 0.360 0.000 1.968 556 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 556 A C 2.366 180.264 177.584 0.523 0.000 1.169 556 A CA 0.803 53.165 52.037 0.541 0.000 0.638 556 A CB -0.295 19.157 19.000 0.754 0.000 0.812 556 A HN 0.077 nan 8.150 nan 0.000 0.446 557 V N 1.006 121.149 119.914 0.383 0.000 2.255 557 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 557 V C 2.169 178.325 176.094 0.103 0.000 1.051 557 V CA 2.361 64.737 62.300 0.125 0.000 1.018 557 V CB -0.859 30.913 31.823 -0.085 0.000 0.641 557 V HN 0.513 nan 8.190 nan 0.000 0.445 558 D N -0.112 120.384 120.400 0.160 0.000 2.133 558 D HA -0.192 4.448 4.640 -0.000 0.000 0.195 558 D C 1.985 178.351 176.300 0.110 0.000 0.997 558 D CA 1.448 55.534 54.000 0.145 0.000 0.840 558 D CB -0.317 40.583 40.800 0.168 0.000 0.947 558 D HN 0.395 nan 8.370 nan 0.000 0.452 559 L N 0.590 121.906 121.223 0.154 0.000 2.027 559 L HA -0.102 4.238 4.340 -0.000 0.000 0.206 559 L C 2.182 179.099 176.870 0.078 0.000 1.074 559 L CA 1.205 56.139 54.840 0.157 0.000 0.745 559 L CB -0.680 41.544 42.059 0.274 0.000 0.898 559 L HN 0.000 nan 8.230 nan 0.000 0.433 560 L N -0.718 120.476 121.223 -0.049 0.000 2.012 560 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 560 L C 2.346 179.133 176.870 -0.138 0.000 1.073 560 L CA 2.091 56.748 54.840 -0.306 0.000 0.748 560 L CB -0.623 41.024 42.059 -0.686 0.000 0.891 560 L HN 0.286 nan 8.230 nan 0.000 0.431 561 M N -0.456 119.094 119.600 -0.083 0.000 2.159 561 M HA -0.141 4.339 4.480 -0.000 0.000 0.263 561 M C 2.432 178.714 176.300 -0.030 0.000 1.063 561 M CA 1.802 57.068 55.300 -0.058 0.000 1.110 561 M CB -1.812 30.764 32.600 -0.039 0.000 1.374 561 M HN 0.498 nan 8.290 nan 0.000 0.411 562 A N 0.017 122.835 122.820 -0.003 0.000 1.898 562 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 562 A C 2.278 179.861 177.584 -0.001 0.000 1.181 562 A CA 1.473 53.514 52.037 0.007 0.000 0.620 562 A CB -0.521 18.496 19.000 0.030 0.000 0.819 562 A HN 0.458 nan 8.150 nan 0.000 0.442 563 M N -0.515 119.086 119.600 0.001 0.000 2.067 563 M HA -0.169 4.311 4.480 -0.000 0.000 0.260 563 M C 2.603 178.896 176.300 -0.011 0.000 1.069 563 M CA 1.567 56.868 55.300 0.001 0.000 1.117 563 M CB -0.512 32.105 32.600 0.028 0.000 1.334 563 M HN 0.476 nan 8.290 nan 0.000 0.407 564 A N 0.900 123.703 122.820 -0.029 0.000 1.892 564 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 564 A C 1.861 179.430 177.584 -0.025 0.000 1.188 564 A CA 2.125 54.142 52.037 -0.032 0.000 0.631 564 A CB -0.908 18.058 19.000 -0.058 0.000 0.822 564 A HN 0.509 nan 8.150 nan 0.000 0.447 565 N N -0.161 118.524 118.700 -0.026 0.000 2.188 565 N HA -0.138 4.602 4.740 -0.000 0.000 0.184 565 N C 1.453 176.954 175.510 -0.015 0.000 1.018 565 N CA 1.642 54.679 53.050 -0.023 0.000 0.858 565 N CB -0.521 37.952 38.487 -0.023 0.000 0.989 565 N HN 0.682 nan 8.380 nan 0.000 0.426 566 D N 0.539 120.932 120.400 -0.011 0.000 2.178 566 D HA -0.016 4.624 4.640 -0.000 0.000 0.202 566 D C 1.905 178.200 176.300 -0.008 0.000 0.974 566 D CA 0.548 54.542 54.000 -0.008 0.000 0.841 566 D CB 0.010 40.806 40.800 -0.007 0.000 0.953 566 D HN 0.147 nan 8.370 nan 0.000 0.478 567 L N -0.743 120.476 121.223 -0.008 0.000 2.313 567 L HA 0.159 4.499 4.340 -0.000 0.000 0.214 567 L C 1.487 178.355 176.870 -0.004 0.000 1.119 567 L CA 0.637 55.474 54.840 -0.005 0.000 0.809 567 L CB -0.260 41.798 42.059 -0.002 0.000 0.933 567 L HN 0.347 nan 8.230 nan 0.000 0.449 568 G N 0.906 109.701 108.800 -0.008 0.000 2.212 568 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.255 568 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.255 568 G C -0.045 174.852 174.900 -0.005 0.000 1.062 568 G CA 0.261 45.355 45.100 -0.009 0.000 0.815 568 G HN 0.310 nan 8.290 nan 0.000 0.497 569 V N -3.602 116.309 119.914 -0.005 0.000 3.040 569 V HA 0.874 4.994 4.120 -0.000 0.000 0.312 569 V C 0.157 176.245 176.094 -0.009 0.000 1.115 569 V CA -1.127 61.176 62.300 0.005 0.000 0.998 569 V CB 2.097 33.933 31.823 0.022 0.000 1.042 569 V HN 0.183 nan 8.190 nan 0.000 0.433 570 D N 1.471 121.872 120.400 0.003 0.000 2.357 570 D HA 0.250 4.890 4.640 -0.000 0.000 0.242 570 D C 1.612 177.879 176.300 -0.056 0.000 1.153 570 D CA 0.769 54.752 54.000 -0.029 0.000 0.918 570 D CB 1.906 42.709 40.800 0.006 0.000 1.181 570 D HN 0.993 nan 8.370 nan 0.000 0.435 571 T N -0.974 113.517 114.554 -0.105 0.000 2.849 571 T HA -0.061 4.289 4.350 -0.000 0.000 0.270 571 T C -1.169 173.462 174.700 -0.115 0.000 1.066 571 T CA 0.571 62.605 62.100 -0.110 0.000 1.130 571 T CB -1.005 67.785 68.868 -0.131 0.000 0.864 571 T HN 0.330 nan 8.240 nan 0.000 0.481 572 P HA 0.061 nan 4.420 nan 0.000 0.231 572 P C 0.960 178.227 177.300 -0.056 0.000 1.158 572 P CA 0.882 63.833 63.100 -0.248 0.000 0.763 572 P CB -0.126 31.095 31.700 -0.800 0.000 0.805 573 K N -1.299 119.100 120.400 -0.002 0.000 2.374 573 K HA 0.142 4.462 4.320 -0.000 0.000 0.196 573 K C 0.081 176.712 176.600 0.053 0.000 1.023 573 K CA 0.028 56.352 56.287 0.062 0.000 1.103 573 K CB 0.502 33.051 32.500 0.082 0.000 0.848 573 K HN -0.014 nan 8.250 nan 0.000 0.528 574 V N 3.836 123.773 119.914 0.039 0.000 2.488 574 V HA 0.106 4.226 4.120 -0.000 0.000 0.277 574 V C -2.351 173.806 176.094 0.105 0.000 1.046 574 V CA -1.797 60.538 62.300 0.057 0.000 0.986 574 V CB 0.834 32.675 31.823 0.029 0.000 0.989 574 V HN 0.018 nan 8.190 nan 0.000 0.475 575 P HA 0.262 nan 4.420 nan 0.000 0.252 575 P C -0.914 176.471 177.300 0.143 0.000 1.727 575 P CA 0.340 63.505 63.100 0.110 0.000 1.134 575 P CB -0.439 31.303 31.700 0.069 0.000 1.876 576 F N 2.962 122.895 119.950 -0.029 0.000 2.573 576 F HA 0.527 5.054 4.527 -0.000 0.000 0.316 576 F C -1.514 174.209 175.800 -0.128 0.000 1.148 576 F CA -0.989 56.971 58.000 -0.068 0.000 0.940 576 F CB 1.592 40.563 39.000 -0.047 0.000 1.214 576 F HN -0.190 nan 8.300 nan 0.000 0.448 577 V N 5.097 124.867 119.914 -0.240 0.000 2.735 577 V HA 0.834 4.954 4.120 -0.000 0.000 0.310 577 V C -0.364 175.445 176.094 -0.476 0.000 1.061 577 V CA -0.617 61.539 62.300 -0.240 0.000 0.913 577 V CB 1.753 33.463 31.823 -0.187 0.000 1.005 577 V HN 0.949 nan 8.190 nan 0.000 0.428 578 A N 2.878 125.392 122.820 -0.511 0.000 2.312 578 A HA 0.878 5.198 4.320 -0.000 0.000 0.328 578 A C -0.163 177.203 177.584 -0.363 0.000 1.158 578 A CA -0.420 51.203 52.037 -0.691 0.000 0.821 578 A CB 1.528 19.710 19.000 -1.364 0.000 1.170 578 A HN 0.889 nan 8.150 nan 0.000 0.490 579 S N 0.250 115.808 115.700 -0.236 0.000 2.619 579 S HA 0.625 5.095 4.470 -0.000 0.000 0.280 579 S C -0.773 173.819 174.600 -0.014 0.000 1.150 579 S CA 0.172 58.356 58.200 -0.027 0.000 0.978 579 S CB 1.224 64.475 63.200 0.085 0.000 1.041 579 S HN 1.862 nan 8.310 nan 0.000 0.485 580 A N 6.375 129.169 122.820 -0.043 0.000 2.644 580 A HA 0.632 4.952 4.320 -0.000 0.000 0.343 580 A C -2.302 175.258 177.584 -0.040 0.000 1.324 580 A CA -1.535 50.507 52.037 0.007 0.000 0.846 580 A CB 0.417 19.426 19.000 0.015 0.000 1.128 580 A HN 0.633 nan 8.150 nan 0.000 0.484 581 P HA -0.085 nan 4.420 nan 0.000 0.222 581 P C 0.345 177.586 177.300 -0.099 0.000 1.147 581 P CA 1.331 64.442 63.100 0.019 0.000 0.790 581 P CB 0.308 32.036 31.700 0.046 0.000 0.780 582 E N -1.280 118.847 120.200 -0.122 0.000 3.105 582 E HA 0.356 4.706 4.350 -0.000 0.000 0.198 582 E C -0.260 176.343 176.600 0.005 0.000 0.976 582 E CA -0.527 55.811 56.400 -0.103 0.000 1.219 582 E CB 0.489 30.043 29.700 -0.244 0.000 1.081 582 E HN 0.027 nan 8.360 nan 0.000 0.464 583 A N 1.252 124.077 122.820 0.010 0.000 2.584 583 A HA 0.058 4.378 4.320 -0.000 0.000 0.239 583 A C 0.715 178.300 177.584 0.003 0.000 1.043 583 A CA 0.736 52.782 52.037 0.016 0.000 0.756 583 A CB 0.255 19.263 19.000 0.014 0.000 0.963 583 A HN 0.512 nan 8.150 nan 0.000 0.511 584 M N 2.538 122.125 119.600 -0.023 0.000 2.583 584 M HA 0.097 4.577 4.480 -0.000 0.000 0.217 584 M C 1.088 177.352 176.300 -0.060 0.000 1.655 584 M CA 0.750 56.027 55.300 -0.038 0.000 1.114 584 M CB 0.161 32.717 32.600 -0.075 0.000 1.384 584 M HN 0.862 nan 8.290 nan 0.000 0.562 585 S N 0.201 115.838 115.700 -0.104 0.000 2.584 585 S HA 0.302 4.772 4.470 -0.000 0.000 0.270 585 S C 1.178 175.745 174.600 -0.055 0.000 1.346 585 S CA -0.124 58.013 58.200 -0.105 0.000 1.018 585 S CB 0.738 63.851 63.200 -0.145 0.000 0.899 585 S HN 0.502 nan 8.310 nan 0.000 0.542 586 G N 0.910 109.680 108.800 -0.051 0.000 2.450 586 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.220 586 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.220 586 G C 1.301 176.189 174.900 -0.020 0.000 1.130 586 G CA 0.656 45.741 45.100 -0.026 0.000 0.760 586 G HN 0.772 nan 8.290 nan 0.000 0.557 587 K N 0.413 120.772 120.400 -0.068 0.000 2.074 587 K HA -0.067 4.253 4.320 -0.000 0.000 0.209 587 K C 2.917 179.563 176.600 0.077 0.000 1.048 587 K CA 1.202 57.456 56.287 -0.055 0.000 0.926 587 K CB -0.206 32.155 32.500 -0.231 0.000 0.713 587 K HN 0.303 nan 8.250 nan 0.000 0.444 588 A N 1.202 124.042 122.820 0.033 0.000 1.929 588 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 588 A C 2.337 179.942 177.584 0.035 0.000 1.176 588 A CA 1.471 53.532 52.037 0.040 0.000 0.628 588 A CB -0.565 18.452 19.000 0.028 0.000 0.816 588 A HN 0.320 nan 8.150 nan 0.000 0.444 589 A N 0.244 123.084 122.820 0.034 0.000 1.892 589 A HA 0.015 4.335 4.320 -0.000 0.000 0.218 589 A C 2.517 180.145 177.584 0.072 0.000 1.188 589 A CA 2.538 54.607 52.037 0.053 0.000 0.631 589 A CB -1.121 17.896 19.000 0.027 0.000 0.822 589 A HN 1.100 nan 8.150 nan 0.000 0.447 590 A N -0.473 122.383 122.820 0.060 0.000 1.898 590 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 590 A C 2.144 179.664 177.584 -0.107 0.000 1.181 590 A CA 1.461 53.545 52.037 0.078 0.000 0.620 590 A CB -0.588 18.514 19.000 0.169 0.000 0.819 590 A HN 0.504 nan 8.150 nan 0.000 0.442 591 I N -0.261 120.157 120.570 -0.254 0.000 2.179 591 I HA -0.219 3.951 4.170 -0.000 0.000 0.242 591 I C 2.681 178.299 176.117 -0.831 0.000 1.088 591 I CA 1.246 61.975 61.300 -0.953 0.000 1.357 591 I CB -0.536 37.166 38.000 -0.497 0.000 1.051 591 I HN 0.400 nan 8.210 nan 0.000 0.409 592 G N -0.099 108.589 108.800 -0.186 0.000 2.408 592 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 592 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 592 G C 1.635 176.497 174.900 -0.062 0.000 1.150 592 G CA 1.278 46.401 45.100 0.039 0.000 0.776 592 G HN 0.300 nan 8.290 nan 0.000 0.542 593 T N 0.987 115.593 114.554 0.087 0.000 2.746 593 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 593 T C 2.063 176.734 174.700 -0.048 0.000 1.039 593 T CA 1.422 63.564 62.100 0.070 0.000 1.142 593 T CB -0.360 68.603 68.868 0.158 0.000 0.866 593 T HN 0.802 nan 8.240 nan 0.000 0.444 594 W N -0.452 120.765 121.300 -0.138 0.000 2.467 594 W HA 0.023 4.683 4.660 -0.000 0.000 0.275 594 W C 1.714 178.069 176.519 -0.274 0.000 1.239 594 W CA -0.302 56.881 57.345 -0.270 0.000 1.266 594 W CB -1.103 28.169 29.460 -0.315 0.000 1.112 594 W HN 0.269 nan 8.180 nan 0.000 0.576 595 W N 1.731 123.009 121.300 -0.037 0.000 2.335 595 W HA -0.223 4.437 4.660 -0.000 0.000 0.311 595 W C 2.717 179.133 176.519 -0.172 0.000 1.213 595 W CA 1.659 58.961 57.345 -0.071 0.000 1.274 595 W CB -0.888 28.413 29.460 -0.265 0.000 1.148 595 W HN -0.345 nan 8.180 nan 0.000 0.498 596 V N -0.012 119.843 119.914 -0.098 0.000 2.252 596 V HA -0.372 3.747 4.120 -0.000 0.000 0.249 596 V C 2.107 178.131 176.094 -0.117 0.000 1.056 596 V CA 2.324 64.477 62.300 -0.246 0.000 1.022 596 V CB -1.332 30.174 31.823 -0.529 0.000 0.641 596 V HN 0.124 nan 8.190 nan 0.000 0.445 597 S N -0.179 115.420 115.700 -0.169 0.000 2.400 597 S HA -0.094 4.376 4.470 -0.000 0.000 0.232 597 S C 1.642 176.322 174.600 0.134 0.000 1.025 597 S CA 1.338 59.407 58.200 -0.219 0.000 0.993 597 S CB -0.332 62.666 63.200 -0.336 0.000 0.808 597 S HN 0.488 nan 8.310 nan 0.000 0.478 598 L N 0.670 121.958 121.223 0.109 0.000 2.612 598 L HA 0.228 4.568 4.340 -0.000 0.000 0.230 598 L C 1.475 178.357 176.870 0.020 0.000 1.140 598 L CA 0.288 55.181 54.840 0.088 0.000 0.896 598 L CB -0.223 41.838 42.059 0.002 0.000 1.065 598 L HN 0.508 nan 8.230 nan 0.000 0.447 599 G N -0.327 108.480 108.800 0.012 0.000 2.134 599 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.209 599 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.209 599 G C -0.113 174.754 174.900 -0.055 0.000 0.993 599 G CA -0.198 44.859 45.100 -0.071 0.000 0.669 599 G HN 0.078 nan 8.290 nan 0.000 0.519 600 V N 1.309 121.214 119.914 -0.015 0.000 2.513 600 V HA 0.602 4.722 4.120 -0.000 0.000 0.299 600 V C -2.044 173.909 176.094 -0.235 0.000 1.035 600 V CA -1.947 60.332 62.300 -0.035 0.000 0.889 600 V CB 2.286 34.172 31.823 0.105 0.000 0.988 600 V HN 0.075 nan 8.190 nan 0.000 0.440 601 P HA 0.232 nan 4.420 nan 0.000 0.271 601 P C -0.729 176.270 177.300 -0.502 0.000 1.220 601 P CA 0.100 62.756 63.100 -0.739 0.000 0.768 601 P CB 0.345 31.744 31.700 -0.502 0.000 0.848 602 T N 2.760 116.980 114.554 -0.558 0.000 2.934 602 T HA 0.162 4.512 4.350 -0.000 0.000 0.328 602 T C -0.564 174.009 174.700 -0.211 0.000 1.068 602 T CA -0.414 61.453 62.100 -0.388 0.000 1.018 602 T CB -0.122 68.448 68.868 -0.497 0.000 1.009 602 T HN 0.444 nan 8.240 nan 0.000 0.471 603 H N 3.255 122.210 119.070 -0.192 0.000 2.610 603 H HA 0.523 5.079 4.556 -0.000 0.000 0.336 603 H C -1.201 174.143 175.328 0.028 0.000 1.087 603 H CA -0.206 55.794 56.048 -0.079 0.000 1.405 603 H CB 0.753 30.463 29.762 -0.086 0.000 1.460 603 H HN 0.283 nan 8.280 nan 0.000 0.538 604 V N 4.470 124.096 119.914 -0.480 0.000 2.531 604 V HA 0.222 4.342 4.120 -0.000 0.000 0.301 604 V C 1.010 176.842 176.094 -0.436 0.000 1.034 604 V CA -0.185 61.911 62.300 -0.340 0.000 0.865 604 V CB 1.690 33.612 31.823 0.164 0.000 0.995 604 V HN 1.004 nan 8.190 nan 0.000 0.424 605 G N 2.632 111.184 108.800 -0.414 0.000 3.233 605 G HA2 0.363 4.323 3.960 -0.000 0.000 0.227 605 G HA3 0.363 4.323 3.960 -0.000 0.000 0.227 605 G C 0.435 175.346 174.900 0.018 0.000 1.175 605 G CA 0.672 45.724 45.100 -0.080 0.000 0.781 605 G HN 0.763 nan 8.290 nan 0.000 0.542 606 T N -3.215 111.342 114.554 0.005 0.000 2.900 606 T HA 0.626 4.976 4.350 -0.000 0.000 0.303 606 T C -0.859 173.816 174.700 -0.043 0.000 1.142 606 T CA -0.937 61.177 62.100 0.024 0.000 1.007 606 T CB 2.371 71.254 68.868 0.026 0.000 1.156 606 T HN -0.091 nan 8.240 nan 0.000 0.490 607 M N 2.888 122.429 119.600 -0.097 0.000 2.113 607 M HA 0.550 5.030 4.480 -0.000 0.000 0.352 607 M C -2.613 173.416 176.300 -0.452 0.000 1.170 607 M CA -2.208 52.868 55.300 -0.373 0.000 1.053 607 M CB 0.698 33.083 32.600 -0.358 0.000 1.601 607 M HN 0.434 nan 8.290 nan 0.000 0.459 608 P HA 0.291 nan 4.420 nan 0.000 0.273 608 P C -2.624 174.417 177.300 -0.432 0.000 1.250 608 P CA -1.082 61.779 63.100 -0.397 0.000 0.793 608 P CB -0.482 30.992 31.700 -0.377 0.000 1.011 609 P HA 0.005 nan 4.420 nan 0.000 0.235 609 P C 0.413 177.606 177.300 -0.178 0.000 1.765 609 P CA 0.245 63.191 63.100 -0.258 0.000 1.034 609 P CB -0.557 31.060 31.700 -0.138 0.000 1.984 610 V N -2.073 117.720 119.914 -0.202 0.000 3.502 610 V HA 0.249 4.369 4.120 -0.000 0.000 0.288 610 V C 1.576 177.701 176.094 0.052 0.000 1.461 610 V CA 0.279 62.539 62.300 -0.067 0.000 1.029 610 V CB -0.347 31.415 31.823 -0.101 0.000 0.843 610 V HN 0.017 nan 8.190 nan 0.000 0.438 611 E N 1.989 122.172 120.200 -0.028 0.000 2.285 611 E HA 0.079 4.429 4.350 -0.000 0.000 0.194 611 E C 2.111 178.702 176.600 -0.015 0.000 0.997 611 E CA 0.872 57.256 56.400 -0.027 0.000 0.845 611 E CB -0.072 29.562 29.700 -0.111 0.000 0.782 611 E HN 0.719 nan 8.360 nan 0.000 0.491 612 G N 0.644 109.442 108.800 -0.003 0.000 2.625 612 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.214 612 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.214 612 G C 0.563 175.488 174.900 0.042 0.000 1.132 612 G CA 0.305 45.411 45.100 0.010 0.000 0.782 612 G HN 0.094 nan 8.290 nan 0.000 0.538 613 S N -0.488 115.264 115.700 0.087 0.000 2.707 613 S HA 0.383 4.853 4.470 -0.000 0.000 0.303 613 S C 0.153 174.871 174.600 0.196 0.000 1.132 613 S CA -0.734 57.558 58.200 0.153 0.000 1.046 613 S CB 1.348 64.670 63.200 0.203 0.000 1.004 613 S HN 0.048 nan 8.310 nan 0.000 0.483 614 D N 3.682 124.189 120.400 0.179 0.000 2.149 614 D HA -0.046 4.594 4.640 -0.000 0.000 0.201 614 D C 1.865 178.297 176.300 0.219 0.000 0.972 614 D CA 0.674 54.785 54.000 0.184 0.000 0.835 614 D CB 0.008 40.884 40.800 0.127 0.000 0.966 614 D HN 0.556 nan 8.370 nan 0.000 0.476 615 L N 0.598 121.945 121.223 0.206 0.000 1.994 615 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 615 L C 2.126 179.085 176.870 0.148 0.000 1.071 615 L CA 1.069 55.993 54.840 0.139 0.000 0.745 615 L CB -0.051 42.051 42.059 0.072 0.000 0.892 615 L HN -0.052 nan 8.230 nan 0.000 0.431 616 I N -0.936 119.753 120.570 0.199 0.000 2.202 616 I HA -0.324 3.846 4.170 -0.000 0.000 0.242 616 I C 2.456 178.688 176.117 0.192 0.000 1.091 616 I CA 1.486 62.895 61.300 0.181 0.000 1.368 616 I CB -1.428 36.684 38.000 0.187 0.000 1.058 616 I HN 0.354 nan 8.210 nan 0.000 0.410 617 Y N 1.549 121.932 120.300 0.138 0.000 2.102 617 Y HA -0.356 4.194 4.550 -0.000 0.000 0.280 617 Y C 3.125 179.142 175.900 0.195 0.000 1.178 617 Y CA 2.475 60.675 58.100 0.166 0.000 1.146 617 Y CB -0.260 38.275 38.460 0.126 0.000 0.968 617 Y HN 0.146 nan 8.280 nan 0.000 0.504 618 S N -0.394 115.476 115.700 0.284 0.000 2.387 618 S HA -0.136 4.334 4.470 -0.000 0.000 0.226 618 S C 2.012 176.694 174.600 0.138 0.000 1.026 618 S CA 1.324 59.649 58.200 0.209 0.000 0.972 618 S CB -0.608 62.702 63.200 0.183 0.000 0.814 618 S HN 0.509 nan 8.310 nan 0.000 0.477 619 I N 1.321 121.974 120.570 0.139 0.000 2.208 619 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 619 I C 2.214 178.445 176.117 0.189 0.000 1.097 619 I CA 1.204 62.599 61.300 0.159 0.000 1.363 619 I CB -0.330 37.772 38.000 0.169 0.000 1.051 619 I HN 0.326 nan 8.210 nan 0.000 0.413 620 L N 0.033 121.360 121.223 0.172 0.000 2.056 620 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 620 L C 2.619 179.621 176.870 0.220 0.000 1.078 620 L CA 1.967 56.959 54.840 0.253 0.000 0.749 620 L CB -0.769 41.425 42.059 0.226 0.000 0.901 620 L HN 0.429 nan 8.230 nan 0.000 0.433 621 T N -5.013 109.575 114.554 0.057 0.000 3.037 621 T HA 0.076 4.426 4.350 -0.000 0.000 0.251 621 T C 1.506 176.266 174.700 0.100 0.000 1.079 621 T CA 0.088 62.227 62.100 0.065 0.000 1.067 621 T CB 0.487 69.326 68.868 -0.048 0.000 0.948 621 T HN 0.313 nan 8.240 nan 0.000 0.496 622 Q N -0.164 119.685 119.800 0.083 0.000 2.618 622 Q HA 0.352 4.692 4.340 -0.000 0.000 0.209 622 Q C 1.942 177.961 176.000 0.032 0.000 0.797 622 Q CA -0.193 55.624 55.803 0.024 0.000 0.888 622 Q CB 0.437 29.206 28.738 0.051 0.000 1.244 622 Q HN 0.260 nan 8.270 nan 0.000 0.626 623 I N 1.652 122.273 120.570 0.086 0.000 2.439 623 I HA -0.102 4.068 4.170 -0.000 0.000 0.251 623 I C 2.363 178.568 176.117 0.148 0.000 1.139 623 I CA 1.190 62.550 61.300 0.100 0.000 1.438 623 I CB -1.435 36.631 38.000 0.110 0.000 1.085 623 I HN 0.139 nan 8.210 nan 0.000 0.427 624 A N 1.657 124.598 122.820 0.202 0.000 1.986 624 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 624 A C 2.553 180.273 177.584 0.226 0.000 1.171 624 A CA 2.397 54.601 52.037 0.278 0.000 0.640 624 A CB -0.820 18.349 19.000 0.282 0.000 0.811 624 A HN 0.586 nan 8.150 nan 0.000 0.451 625 S N -0.124 115.665 115.700 0.149 0.000 2.423 625 S HA -0.149 4.321 4.470 -0.000 0.000 0.231 625 S C 1.292 175.974 174.600 0.136 0.000 1.014 625 S CA 1.282 59.540 58.200 0.096 0.000 0.965 625 S CB -0.364 62.715 63.200 -0.201 0.000 0.785 625 S HN 0.581 nan 8.310 nan 0.000 0.495 626 D N 1.205 121.673 120.400 0.113 0.000 2.183 626 D HA 0.073 4.713 4.640 -0.000 0.000 0.205 626 D C 2.100 178.493 176.300 0.154 0.000 0.962 626 D CA 0.807 54.884 54.000 0.129 0.000 0.849 626 D CB -0.130 40.705 40.800 0.058 0.000 0.978 626 D HN 0.372 nan 8.370 nan 0.000 0.488 627 V N 0.076 120.052 119.914 0.103 0.000 2.300 627 V HA -0.158 3.962 4.120 -0.000 0.000 0.241 627 V C 1.937 177.888 176.094 -0.238 0.000 1.034 627 V CA 1.243 63.511 62.300 -0.053 0.000 1.021 627 V CB -0.552 31.216 31.823 -0.091 0.000 0.662 627 V HN 0.112 nan 8.190 nan 0.000 0.458 628 Y N 0.128 120.479 120.300 0.086 0.000 2.436 628 Y HA 0.415 4.965 4.550 -0.000 0.000 0.288 628 Y C 2.093 177.921 175.900 -0.121 0.000 1.112 628 Y CA 0.900 58.985 58.100 -0.025 0.000 1.220 628 Y CB 0.299 38.738 38.460 -0.035 0.000 1.073 628 Y HN 0.358 nan 8.280 nan 0.000 0.552 629 G N -0.549 108.270 108.800 0.031 0.000 2.259 629 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 629 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 629 G C 0.638 175.534 174.900 -0.007 0.000 1.001 629 G CA -0.217 44.733 45.100 -0.249 0.000 0.627 629 G HN 0.692 nan 8.290 nan 0.000 0.501 630 G N -0.531 108.307 108.800 0.063 0.000 2.521 630 G HA2 0.915 4.875 3.960 -0.000 0.000 0.323 630 G HA3 0.915 4.875 3.960 -0.000 0.000 0.323 630 G C -0.635 174.337 174.900 0.119 0.000 1.211 630 G CA -0.281 44.825 45.100 0.009 0.000 0.979 630 G HN 1.628 nan 8.290 nan 0.000 0.490 631 Y N -3.038 117.159 120.300 -0.171 0.000 2.687 631 Y HA 0.577 5.127 4.550 -0.000 0.000 0.338 631 Y C -1.604 174.121 175.900 -0.292 0.000 1.189 631 Y CA -1.990 56.006 58.100 -0.174 0.000 1.097 631 Y CB 0.685 39.108 38.460 -0.063 0.000 1.342 631 Y HN 0.446 nan 8.280 nan 0.000 0.461 632 F N 2.460 122.303 119.950 -0.179 0.000 2.396 632 F HA 0.568 5.095 4.527 -0.000 0.000 0.343 632 F C 0.105 175.629 175.800 -0.460 0.000 1.104 632 F CA -0.412 57.257 58.000 -0.553 0.000 1.161 632 F CB 1.034 39.360 39.000 -1.124 0.000 1.146 632 F HN 0.335 nan 8.300 nan 0.000 0.522 633 I N 4.782 125.239 120.570 -0.189 0.000 2.330 633 I HA 0.214 4.384 4.170 -0.000 0.000 0.286 633 I C -0.924 175.210 176.117 0.028 0.000 1.025 633 I CA -0.224 61.086 61.300 0.018 0.000 1.197 633 I CB 0.490 38.559 38.000 0.114 0.000 1.358 633 I HN 0.413 nan 8.210 nan 0.000 0.467 634 F N 5.126 125.215 119.950 0.231 0.000 2.391 634 F HA 0.450 4.977 4.527 -0.000 0.000 0.359 634 F C 0.398 176.307 175.800 0.182 0.000 1.122 634 F CA -0.509 57.593 58.000 0.170 0.000 1.120 634 F CB 1.167 40.259 39.000 0.153 0.000 1.142 634 F HN 0.386 nan 8.300 nan 0.000 0.483 635 E N 3.687 124.119 120.200 0.386 0.000 2.404 635 E HA 0.272 4.622 4.350 -0.000 0.000 0.298 635 E C -0.566 176.186 176.600 0.254 0.000 0.908 635 E CA -0.302 56.252 56.400 0.256 0.000 0.808 635 E CB 1.188 30.970 29.700 0.136 0.000 1.380 635 E HN 0.579 nan 8.360 nan 0.000 0.392 636 M N 1.125 120.817 119.600 0.154 0.000 2.506 636 M HA 0.140 4.620 4.480 -0.000 0.000 0.260 636 M C 0.487 176.824 176.300 0.061 0.000 1.104 636 M CA 0.465 55.831 55.300 0.110 0.000 1.112 636 M CB 0.295 32.947 32.600 0.087 0.000 1.401 636 M HN 0.360 nan 8.290 nan 0.000 0.473 637 D N 1.538 121.960 120.400 0.037 0.000 2.336 637 D HA 0.086 4.726 4.640 -0.000 0.000 0.249 637 D C -1.802 174.481 176.300 -0.028 0.000 1.213 637 D CA -1.647 52.347 54.000 -0.011 0.000 0.870 637 D CB 1.422 42.206 40.800 -0.027 0.000 1.076 637 D HN 0.062 nan 8.370 nan 0.000 0.483 638 P HA -0.141 nan 4.420 nan 0.000 0.222 638 P C 1.179 178.422 177.300 -0.096 0.000 1.147 638 P CA 0.689 63.756 63.100 -0.056 0.000 0.790 638 P CB 0.624 32.297 31.700 -0.044 0.000 0.780 639 Q N -0.122 119.629 119.800 -0.082 0.000 2.083 639 Q HA -0.042 4.298 4.340 -0.000 0.000 0.198 639 Q C 2.294 178.228 176.000 -0.111 0.000 0.969 639 Q CA 1.039 56.790 55.803 -0.087 0.000 0.838 639 Q CB -1.043 27.655 28.738 -0.067 0.000 0.900 639 Q HN 0.132 nan 8.270 nan 0.000 0.436 640 V N 1.182 121.030 119.914 -0.109 0.000 2.343 640 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 640 V C 2.431 178.400 176.094 -0.208 0.000 1.051 640 V CA 1.705 63.923 62.300 -0.137 0.000 1.036 640 V CB -1.230 30.530 31.823 -0.105 0.000 0.654 640 V HN 0.301 nan 8.190 nan 0.000 0.451 641 A N 0.391 123.072 122.820 -0.232 0.000 1.873 641 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 641 A C 2.473 179.810 177.584 -0.413 0.000 1.193 641 A CA 2.537 54.317 52.037 -0.429 0.000 0.629 641 A CB -1.022 17.593 19.000 -0.641 0.000 0.826 641 A HN 0.602 nan 8.150 nan 0.000 0.447 642 A N -0.561 122.084 122.820 -0.291 0.000 1.908 642 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 642 A C 2.268 179.744 177.584 -0.179 0.000 1.181 642 A CA 1.969 53.878 52.037 -0.215 0.000 0.627 642 A CB -0.530 18.382 19.000 -0.147 0.000 0.818 642 A HN 0.594 nan 8.150 nan 0.000 0.445 643 R N -0.072 120.324 120.500 -0.173 0.000 2.073 643 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 643 R C 2.101 178.283 176.300 -0.196 0.000 1.134 643 R CA 1.835 57.845 56.100 -0.151 0.000 0.952 643 R CB -0.264 29.954 30.300 -0.135 0.000 0.850 643 R HN 0.516 nan 8.270 nan 0.000 0.433 644 K N 0.119 120.332 120.400 -0.312 0.000 2.103 644 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 644 K C 2.093 178.565 176.600 -0.213 0.000 1.048 644 K CA 1.632 57.646 56.287 -0.454 0.000 0.930 644 K CB -0.160 31.960 32.500 -0.634 0.000 0.716 644 K HN 0.282 nan 8.250 nan 0.000 0.444 645 I N 1.005 121.457 120.570 -0.196 0.000 2.252 645 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 645 I C 2.154 178.238 176.117 -0.056 0.000 1.102 645 I CA 1.064 62.289 61.300 -0.124 0.000 1.385 645 I CB -0.170 37.726 38.000 -0.173 0.000 1.064 645 I HN 0.089 nan 8.210 nan 0.000 0.414 646 L N 0.005 121.190 121.223 -0.064 0.000 2.083 646 L HA -0.259 4.081 4.340 -0.000 0.000 0.209 646 L C 2.216 179.111 176.870 0.040 0.000 1.083 646 L CA 1.292 56.121 54.840 -0.019 0.000 0.752 646 L CB -0.658 41.380 42.059 -0.036 0.000 0.899 646 L HN 0.310 nan 8.230 nan 0.000 0.433 647 D N 0.030 120.454 120.400 0.041 0.000 2.117 647 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 647 D C 2.145 178.618 176.300 0.287 0.000 0.987 647 D CA 1.577 55.657 54.000 0.133 0.000 0.829 647 D CB 0.265 41.110 40.800 0.074 0.000 0.961 647 D HN 0.355 nan 8.370 nan 0.000 0.460 648 A N 0.611 123.581 122.820 0.250 0.000 1.930 648 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 648 A C 2.395 180.162 177.584 0.305 0.000 1.175 648 A CA 0.702 52.974 52.037 0.391 0.000 0.627 648 A CB -0.562 18.603 19.000 0.275 0.000 0.815 648 A HN 0.195 nan 8.150 nan 0.000 0.443 649 L N -0.875 120.455 121.223 0.178 0.000 2.072 649 L HA -0.126 4.214 4.340 -0.000 0.000 0.205 649 L C 2.717 179.693 176.870 0.176 0.000 1.079 649 L CA 1.357 56.281 54.840 0.141 0.000 0.752 649 L CB -0.434 41.660 42.059 0.057 0.000 0.906 649 L HN 0.454 nan 8.230 nan 0.000 0.436 650 E N 0.189 120.497 120.200 0.180 0.000 2.058 650 E HA -0.298 4.052 4.350 -0.000 0.000 0.194 650 E C 2.156 178.915 176.600 0.266 0.000 0.997 650 E CA 1.626 58.133 56.400 0.179 0.000 0.801 650 E CB -0.285 29.491 29.700 0.127 0.000 0.746 650 E HN 0.465 nan 8.360 nan 0.000 0.450 651 Y N 1.492 121.920 120.300 0.213 0.000 2.096 651 Y HA -0.295 4.255 4.550 -0.000 0.000 0.278 651 Y C 2.476 178.544 175.900 0.280 0.000 1.192 651 Y CA 2.618 60.874 58.100 0.261 0.000 1.143 651 Y CB -0.026 38.578 38.460 0.240 0.000 0.963 651 Y HN 0.009 nan 8.280 nan 0.000 0.505 652 R N -1.021 119.714 120.500 0.392 0.000 2.075 652 R HA -0.086 4.254 4.340 -0.000 0.000 0.226 652 R C 2.299 178.664 176.300 0.109 0.000 1.114 652 R CA 1.784 58.029 56.100 0.241 0.000 0.972 652 R CB -0.771 29.667 30.300 0.230 0.000 0.869 652 R HN 0.493 nan 8.270 nan 0.000 0.437 653 T N -1.450 113.179 114.554 0.124 0.000 2.821 653 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 653 T C 1.579 176.322 174.700 0.072 0.000 1.046 653 T CA 0.697 62.842 62.100 0.074 0.000 1.139 653 T CB -0.430 68.483 68.868 0.074 0.000 0.871 653 T HN 0.416 nan 8.240 nan 0.000 0.454 654 W N 2.407 123.657 121.300 -0.083 0.000 2.329 654 W HA -0.021 4.639 4.660 -0.000 0.000 0.324 654 W C 2.420 178.812 176.519 -0.212 0.000 1.222 654 W CA 1.392 58.656 57.345 -0.135 0.000 1.270 654 W CB -0.403 28.958 29.460 -0.164 0.000 1.167 654 W HN 0.119 nan 8.180 nan 0.000 0.467 655 K N -0.001 120.107 120.400 -0.487 0.000 2.097 655 K HA -0.187 4.133 4.320 -0.000 0.000 0.206 655 K C 2.311 178.449 176.600 -0.769 0.000 1.049 655 K CA 1.450 57.157 56.287 -0.968 0.000 0.933 655 K CB -0.629 31.402 32.500 -0.781 0.000 0.717 655 K HN 0.270 nan 8.250 nan 0.000 0.442 656 L N -0.029 120.971 121.223 -0.372 0.000 2.046 656 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 656 L C 2.237 178.996 176.870 -0.184 0.000 1.077 656 L CA 1.802 56.517 54.840 -0.208 0.000 0.747 656 L CB -0.676 41.337 42.059 -0.078 0.000 0.896 656 L HN 0.384 nan 8.230 nan 0.000 0.432 657 G N -1.118 107.565 108.800 -0.195 0.000 2.402 657 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 657 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 657 G C 1.541 176.336 174.900 -0.175 0.000 1.162 657 G CA 0.808 45.828 45.100 -0.134 0.000 0.777 657 G HN 0.273 nan 8.290 nan 0.000 0.539 658 V N 0.601 120.308 119.914 -0.345 0.000 2.295 658 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 658 V C 2.404 178.418 176.094 -0.133 0.000 1.049 658 V CA 2.225 64.332 62.300 -0.321 0.000 1.024 658 V CB -0.998 30.451 31.823 -0.623 0.000 0.648 658 V HN 0.545 nan 8.190 nan 0.000 0.447 659 H N -0.105 118.822 119.070 -0.238 0.000 2.387 659 H HA -0.161 4.395 4.556 -0.000 0.000 0.299 659 H C 2.445 177.714 175.328 -0.098 0.000 1.099 659 H CA 1.446 57.399 56.048 -0.159 0.000 1.315 659 H CB 0.050 29.725 29.762 -0.144 0.000 1.380 659 H HN 0.399 nan 8.280 nan 0.000 0.513 660 K N 0.792 121.211 120.400 0.031 0.000 2.025 660 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 660 K C 2.113 178.719 176.600 0.011 0.000 1.049 660 K CA 1.383 57.677 56.287 0.011 0.000 0.933 660 K CB 0.038 32.534 32.500 -0.007 0.000 0.714 660 K HN 0.391 nan 8.250 nan 0.000 0.438 661 E N 0.415 120.615 120.200 -0.000 0.000 2.038 661 E HA -0.203 4.146 4.350 -0.000 0.000 0.195 661 E C 2.061 178.689 176.600 0.047 0.000 1.000 661 E CA 1.566 57.972 56.400 0.010 0.000 0.803 661 E CB -0.158 29.539 29.700 -0.004 0.000 0.750 661 E HN 0.028 nan 8.360 nan 0.000 0.448 662 V N 1.420 121.372 119.914 0.063 0.000 2.287 662 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 662 V C 2.335 178.524 176.094 0.158 0.000 1.053 662 V CA 1.943 64.327 62.300 0.140 0.000 1.027 662 V CB -0.778 31.077 31.823 0.054 0.000 0.646 662 V HN 0.352 nan 8.190 nan 0.000 0.447 663 A N -1.080 121.778 122.820 0.062 0.000 2.015 663 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 663 A C 2.309 179.931 177.584 0.063 0.000 1.163 663 A CA 1.745 53.810 52.037 0.047 0.000 0.646 663 A CB -0.391 18.612 19.000 0.005 0.000 0.806 663 A HN 0.591 nan 8.150 nan 0.000 0.448 664 E N -0.312 119.918 120.200 0.050 0.000 2.028 664 E HA -0.165 4.185 4.350 -0.000 0.000 0.190 664 E C 2.318 178.931 176.600 0.022 0.000 0.984 664 E CA 0.697 57.113 56.400 0.027 0.000 0.800 664 E CB -0.199 29.508 29.700 0.012 0.000 0.758 664 E HN 0.561 nan 8.360 nan 0.000 0.448 665 R N -0.619 119.898 120.500 0.028 0.000 2.091 665 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 665 R C 1.573 177.791 176.300 -0.137 0.000 1.136 665 R CA 1.582 57.645 56.100 -0.062 0.000 0.959 665 R CB -0.083 30.179 30.300 -0.065 0.000 0.856 665 R HN 0.252 nan 8.270 nan 0.000 0.437 666 Y N 0.024 120.308 120.300 -0.027 0.000 2.458 666 Y HA 0.170 4.720 4.550 -0.000 0.000 0.256 666 Y C -0.123 175.760 175.900 -0.028 0.000 1.159 666 Y CA -0.027 58.056 58.100 -0.028 0.000 1.261 666 Y CB 0.539 38.978 38.460 -0.035 0.000 1.119 666 Y HN 0.101 nan 8.280 nan 0.000 0.524 667 E N 1.017 121.273 120.200 0.093 0.000 2.257 667 E HA -0.177 4.173 4.350 -0.000 0.000 0.217 667 E C -0.085 176.540 176.600 0.043 0.000 1.248 667 E CA 0.674 57.102 56.400 0.046 0.000 0.691 667 E CB -1.748 27.966 29.700 0.023 0.000 1.185 667 E HN 0.447 nan 8.360 nan 0.000 0.377 668 T N -2.778 111.799 114.554 0.039 0.000 2.888 668 T HA 0.622 4.972 4.350 -0.000 0.000 0.288 668 T C 0.103 174.797 174.700 -0.011 0.000 1.063 668 T CA -1.296 60.807 62.100 0.006 0.000 1.010 668 T CB 1.989 70.847 68.868 -0.016 0.000 1.214 668 T HN -0.013 nan 8.240 nan 0.000 0.533 669 K N 0.360 120.743 120.400 -0.027 0.000 2.336 669 K HA 0.429 4.749 4.320 -0.000 0.000 0.262 669 K C -0.116 176.455 176.600 -0.049 0.000 0.992 669 K CA -0.681 55.586 56.287 -0.033 0.000 0.927 669 K CB -0.046 32.431 32.500 -0.038 0.000 0.956 669 K HN 0.576 nan 8.250 nan 0.000 0.495 670 L N 2.373 123.571 121.223 -0.041 0.000 2.490 670 L HA 0.032 4.372 4.340 -0.000 0.000 0.274 670 L C -0.314 176.499 176.870 -0.095 0.000 1.201 670 L CA 0.124 54.934 54.840 -0.049 0.000 0.869 670 L CB 0.289 42.339 42.059 -0.014 0.000 1.123 670 L HN 0.709 nan 8.230 nan 0.000 0.484 671 C N 5.252 124.440 119.300 -0.186 0.000 2.634 671 C HA 0.100 4.560 4.460 -0.000 0.000 0.418 671 C C 1.324 176.210 174.990 -0.173 0.000 1.373 671 C CA -0.461 58.377 59.018 -0.299 0.000 1.756 671 C CB -0.288 27.032 27.740 -0.699 0.000 2.589 671 C HN 0.864 nan 8.230 nan 0.000 0.602 672 Q N 3.551 123.280 119.800 -0.119 0.000 2.220 672 Q HA 0.181 4.521 4.340 -0.000 0.000 0.205 672 Q C 0.950 176.947 176.000 -0.004 0.000 0.865 672 Q CA 0.114 55.905 55.803 -0.020 0.000 0.960 672 Q CB 0.367 29.095 28.738 -0.017 0.000 1.097 672 Q HN 0.989 nan 8.270 nan 0.000 0.493 673 G N 0.088 108.843 108.800 -0.075 0.000 2.491 673 G HA2 0.117 4.077 3.960 -0.000 0.000 0.238 673 G HA3 0.117 4.077 3.960 -0.000 0.000 0.238 673 G C -0.307 174.710 174.900 0.195 0.000 1.277 673 G CA -0.262 44.802 45.100 -0.061 0.000 0.851 673 G HN 0.123 nan 8.290 nan 0.000 0.573 674 Y N 0.000 120.354 120.300 0.089 0.000 2.660 674 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 674 Y CA 0.000 58.172 58.100 0.120 0.000 1.940 674 Y CB 0.000 38.513 38.460 0.088 0.000 1.050 674 Y HN 0.000 nan 8.280 nan 0.000 0.758