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 2v97_1_B DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.635 174.600 0.058 0.000 1.055 4 S CA 0.000 58.224 58.200 0.041 0.000 1.107 4 S CB 0.000 63.227 63.200 0.045 0.000 0.593 5 E N -0.265 119.983 120.200 0.079 0.000 2.399 5 E HA 0.336 4.685 4.350 -0.000 0.000 0.205 5 E C 1.056 177.774 176.600 0.197 0.000 0.906 5 E CA 0.159 56.631 56.400 0.120 0.000 0.998 5 E CB 0.073 29.837 29.700 0.107 0.000 1.002 5 E HN 0.594 nan 8.360 nan 0.000 0.501 6 L N 0.894 122.205 121.223 0.148 0.000 2.556 6 L HA 0.230 4.569 4.340 -0.000 0.000 0.226 6 L C 0.417 177.434 176.870 0.246 0.000 1.089 6 L CA -0.162 54.768 54.840 0.150 0.000 0.864 6 L CB 0.578 42.640 42.059 0.005 0.000 1.067 6 L HN 0.114 nan 8.230 nan 0.000 0.477 7 L N 1.551 122.880 121.223 0.178 0.000 2.287 7 L HA 0.403 4.743 4.340 -0.000 0.000 0.280 7 L C -0.640 176.296 176.870 0.110 0.000 1.055 7 L CA -0.149 54.788 54.840 0.161 0.000 0.863 7 L CB 0.892 43.010 42.059 0.098 0.000 1.245 7 L HN -0.281 nan 8.230 nan 0.000 0.432 8 V N 5.310 125.296 119.914 0.119 0.000 2.417 8 V HA 0.449 4.569 4.120 -0.000 0.000 0.291 8 V C -0.240 175.796 176.094 -0.098 0.000 1.024 8 V CA -0.854 61.370 62.300 -0.125 0.000 0.861 8 V CB 1.681 33.160 31.823 -0.574 0.000 0.985 8 V HN 0.796 nan 8.190 nan 0.000 0.436 9 N N 2.925 121.513 118.700 -0.187 0.000 2.419 9 N HA 0.289 5.029 4.740 -0.000 0.000 0.264 9 N C 0.022 175.266 175.510 -0.443 0.000 1.031 9 N CA -0.360 52.566 53.050 -0.207 0.000 0.951 9 N CB 2.066 40.426 38.487 -0.212 0.000 1.101 9 N HN 0.718 nan 8.380 nan 0.000 0.488 10 T N -0.498 113.886 114.554 -0.284 0.000 2.898 10 T HA 0.285 4.635 4.350 -0.000 0.000 0.283 10 T C 1.146 175.611 174.700 -0.393 0.000 1.059 10 T CA -0.537 61.356 62.100 -0.345 0.000 0.958 10 T CB 1.014 69.948 68.868 0.109 0.000 1.594 10 T HN 0.261 nan 8.240 nan 0.000 0.598 11 K N 0.264 120.523 120.400 -0.235 0.000 2.167 11 K HA 0.091 4.410 4.320 -0.000 0.000 0.203 11 K C 2.490 178.941 176.600 -0.249 0.000 1.052 11 K CA 0.872 57.045 56.287 -0.190 0.000 0.956 11 K CB -0.426 32.028 32.500 -0.077 0.000 0.735 11 K HN 0.504 nan 8.250 nan 0.000 0.451 12 S N -0.101 115.415 115.700 -0.307 0.000 2.470 12 S HA 0.128 4.598 4.470 -0.000 0.000 0.225 12 S C 0.882 174.696 174.600 -1.309 0.000 1.006 12 S CA 0.505 58.340 58.200 -0.607 0.000 0.934 12 S CB 0.535 63.447 63.200 -0.480 0.000 0.778 12 S HN 0.518 nan 8.310 nan 0.000 0.517 13 G N 0.614 108.775 108.800 -1.065 0.000 2.337 13 G HA2 0.240 4.199 3.960 -0.000 0.000 0.298 13 G HA3 0.240 4.199 3.960 -0.000 0.000 0.298 13 G C -1.883 172.917 174.900 -0.167 0.000 1.335 13 G CA -1.122 43.366 45.100 -1.020 0.000 0.875 13 G HN 0.061 nan 8.290 nan 0.000 0.579 14 K N -0.671 119.849 120.400 0.200 0.000 2.185 14 K HA 0.646 4.966 4.320 -0.000 0.000 0.271 14 K C -0.506 176.457 176.600 0.604 0.000 1.013 14 K CA -0.465 56.013 56.287 0.318 0.000 0.943 14 K CB 1.783 34.414 32.500 0.218 0.000 0.998 14 K HN 0.353 nan 8.250 nan 0.000 0.468 15 V N 2.882 123.074 119.914 0.464 0.000 2.760 15 V HA 0.316 4.436 4.120 -0.000 0.000 0.309 15 V C -1.075 175.287 176.094 0.446 0.000 1.077 15 V CA -0.959 61.662 62.300 0.535 0.000 0.910 15 V CB 1.814 34.007 31.823 0.617 0.000 1.008 15 V HN 0.708 nan 8.190 nan 0.000 0.424 16 M N 3.666 123.488 119.600 0.370 0.000 2.114 16 M HA 0.770 5.250 4.480 -0.000 0.000 0.332 16 M C 0.239 176.636 176.300 0.161 0.000 1.014 16 M CA 0.050 55.498 55.300 0.247 0.000 0.956 16 M CB 1.007 33.692 32.600 0.142 0.000 1.551 16 M HN 0.808 nan 8.290 nan 0.000 0.427 17 G N 1.660 110.449 108.800 -0.017 0.000 2.543 17 G HA2 0.629 4.589 3.960 -0.000 0.000 0.267 17 G HA3 0.629 4.589 3.960 -0.000 0.000 0.267 17 G C -0.992 173.727 174.900 -0.301 0.000 1.406 17 G CA -0.350 44.483 45.100 -0.446 0.000 1.048 17 G HN 0.670 nan 8.290 nan 0.000 0.548 18 T N -1.772 112.568 114.554 -0.357 0.000 2.896 18 T HA 0.494 4.843 4.350 -0.000 0.000 0.297 18 T C -0.596 174.016 174.700 -0.146 0.000 1.108 18 T CA -0.732 61.256 62.100 -0.186 0.000 1.004 18 T CB 1.574 70.359 68.868 -0.137 0.000 1.159 18 T HN 0.464 nan 8.240 nan 0.000 0.499 19 R N 3.507 123.972 120.500 -0.057 0.000 2.870 19 R HA 0.473 4.813 4.340 -0.000 0.000 0.254 19 R C 0.048 176.389 176.300 0.069 0.000 1.392 19 R CA -0.527 55.582 56.100 0.015 0.000 1.322 19 R CB -0.550 29.765 30.300 0.025 0.000 1.205 19 R HN 0.569 nan 8.270 nan 0.000 0.597 20 V N 2.245 122.187 119.914 0.047 0.000 2.614 20 V HA 0.458 4.578 4.120 -0.000 0.000 0.291 20 V C -2.078 174.015 176.094 -0.002 0.000 1.049 20 V CA -1.866 60.454 62.300 0.034 0.000 1.038 20 V CB 0.774 32.627 31.823 0.049 0.000 0.980 20 V HN 0.536 nan 8.190 nan 0.000 0.481 21 P HA 0.424 nan 4.420 nan 0.000 0.276 21 P C -0.779 176.289 177.300 -0.387 0.000 1.252 21 P CA -0.254 62.568 63.100 -0.464 0.000 0.802 21 P CB 1.925 33.327 31.700 -0.497 0.000 1.035 22 V N 3.845 123.459 119.914 -0.500 0.000 2.781 22 V HA 0.135 4.255 4.120 -0.000 0.000 0.289 22 V C -0.393 175.350 176.094 -0.585 0.000 1.275 22 V CA -0.708 61.280 62.300 -0.519 0.000 0.936 22 V CB 0.369 31.865 31.823 -0.544 0.000 1.074 22 V HN 0.515 nan 8.190 nan 0.000 0.444 23 L N 6.095 127.072 121.223 -0.411 0.000 3.746 23 L HA -0.235 4.104 4.340 -0.000 0.000 0.542 23 L C 1.183 177.892 176.870 -0.269 0.000 1.268 23 L CA 0.930 55.587 54.840 -0.306 0.000 0.818 23 L CB -1.921 39.940 42.059 -0.331 0.000 1.472 23 L HN 1.128 nan 8.230 nan 0.000 0.843 24 S N -2.733 112.836 115.700 -0.217 0.000 2.868 24 S HA -0.271 4.199 4.470 -0.000 0.000 0.270 24 S C 0.696 175.218 174.600 -0.130 0.000 1.300 24 S CA 1.724 59.841 58.200 -0.138 0.000 1.362 24 S CB -0.495 62.667 63.200 -0.063 0.000 1.685 24 S HN 0.858 nan 8.310 nan 0.000 0.682 25 S N -0.557 114.994 115.700 -0.249 0.000 2.753 25 S HA 0.804 5.274 4.470 -0.000 0.000 0.302 25 S C -0.852 173.566 174.600 -0.303 0.000 1.104 25 S CA -0.521 57.616 58.200 -0.105 0.000 0.968 25 S CB 0.894 64.056 63.200 -0.064 0.000 1.278 25 S HN 0.455 nan 8.310 nan 0.000 0.549 26 H N -0.562 118.484 119.070 -0.041 0.000 2.961 26 H HA 0.717 5.273 4.556 -0.000 0.000 0.371 26 H C -0.479 174.890 175.328 0.069 0.000 1.190 26 H CA -0.385 55.654 56.048 -0.015 0.000 1.138 26 H CB 1.384 31.148 29.762 0.004 0.000 1.816 26 H HN 0.702 nan 8.280 nan 0.000 0.551 27 I N -2.353 118.327 120.570 0.183 0.000 3.279 27 I HA 0.711 4.881 4.170 -0.000 0.000 0.315 27 I C -1.057 175.171 176.117 0.185 0.000 1.225 27 I CA -1.016 60.410 61.300 0.212 0.000 0.947 27 I CB 2.455 40.601 38.000 0.244 0.000 1.293 27 I HN 0.369 nan 8.210 nan 0.000 0.468 28 S N 1.121 116.948 115.700 0.211 0.000 2.565 28 S HA 0.888 5.358 4.470 -0.000 0.000 0.290 28 S C -0.341 174.343 174.600 0.141 0.000 1.150 28 S CA -0.470 57.808 58.200 0.130 0.000 1.058 28 S CB 1.587 64.898 63.200 0.185 0.000 1.032 28 S HN 0.896 nan 8.310 nan 0.000 0.510 29 A N 1.707 124.439 122.820 -0.147 0.000 2.498 29 A HA 0.863 5.183 4.320 -0.000 0.000 0.298 29 A C -1.731 175.521 177.584 -0.554 0.000 1.075 29 A CA -0.664 51.229 52.037 -0.241 0.000 0.714 29 A CB 0.879 19.745 19.000 -0.223 0.000 1.299 29 A HN 0.645 nan 8.150 nan 0.000 0.407 30 F N 1.293 121.115 119.950 -0.214 0.000 2.771 30 F HA 0.428 4.955 4.527 -0.000 0.000 0.365 30 F C -0.547 175.121 175.800 -0.220 0.000 1.169 30 F CA -0.236 57.709 58.000 -0.091 0.000 1.093 30 F CB 1.482 40.523 39.000 0.067 0.000 1.363 30 F HN 0.335 nan 8.300 nan 0.000 0.496 31 L N 2.845 123.997 121.223 -0.117 0.000 2.265 31 L HA 0.738 5.077 4.340 -0.000 0.000 0.289 31 L C 0.778 177.632 176.870 -0.026 0.000 1.033 31 L CA -0.621 54.121 54.840 -0.163 0.000 0.814 31 L CB 1.379 43.212 42.059 -0.376 0.000 1.203 31 L HN 0.870 nan 8.230 nan 0.000 0.423 32 G N 3.532 112.345 108.800 0.021 0.000 2.151 32 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.156 32 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.156 32 G C -0.211 174.779 174.900 0.149 0.000 1.017 32 G CA -0.760 44.369 45.100 0.047 0.000 0.686 32 G HN 0.489 nan 8.290 nan 0.000 0.503 33 I N 2.821 123.397 120.570 0.010 0.000 2.379 33 I HA 0.264 4.434 4.170 -0.000 0.000 0.290 33 I C -1.517 174.407 176.117 -0.322 0.000 1.063 33 I CA -2.110 59.035 61.300 -0.258 0.000 1.351 33 I CB 1.164 38.964 38.000 -0.333 0.000 1.410 33 I HN -0.030 nan 8.210 nan 0.000 0.505 34 P HA 0.087 nan 4.420 nan 0.000 0.278 34 P C -0.359 176.572 177.300 -0.615 0.000 1.238 34 P CA -0.077 62.517 63.100 -0.844 0.000 0.794 34 P CB 0.816 31.924 31.700 -0.987 0.000 0.955 35 F N -0.039 119.592 119.950 -0.532 0.000 2.746 35 F HA 0.767 5.294 4.527 -0.000 0.000 0.320 35 F C -0.081 175.626 175.800 -0.155 0.000 1.097 35 F CA -0.924 56.854 58.000 -0.370 0.000 1.195 35 F CB 0.070 38.848 39.000 -0.371 0.000 1.056 35 F HN 0.413 nan 8.300 nan 0.000 0.562 36 A N -0.193 122.333 122.820 -0.490 0.000 2.601 36 A HA 0.580 4.899 4.320 -0.000 0.000 0.291 36 A C -1.125 176.272 177.584 -0.311 0.000 1.075 36 A CA -0.823 51.048 52.037 -0.277 0.000 0.671 36 A CB 0.911 19.764 19.000 -0.245 0.000 1.277 36 A HN 0.034 nan 8.150 nan 0.000 0.417 37 E N 0.894 121.000 120.200 -0.157 0.000 2.373 37 E HA 0.302 4.652 4.350 -0.000 0.000 0.267 37 E C -2.421 174.084 176.600 -0.158 0.000 1.032 37 E CA -1.576 54.751 56.400 -0.121 0.000 0.889 37 E CB 0.269 29.942 29.700 -0.046 0.000 0.984 37 E HN 0.215 nan 8.360 nan 0.000 0.425 38 P HA -0.017 nan 4.420 nan 0.000 0.258 38 P C -2.252 174.987 177.300 -0.101 0.000 1.187 38 P CA -0.615 62.410 63.100 -0.125 0.000 0.767 38 P CB -0.061 31.601 31.700 -0.063 0.000 0.770 39 P HA -0.001 nan 4.420 nan 0.000 0.237 39 P C -0.437 176.796 177.300 -0.112 0.000 1.788 39 P CA 0.267 63.307 63.100 -0.100 0.000 1.061 39 P CB -0.039 31.602 31.700 -0.099 0.000 1.967 40 V N -1.537 118.322 119.914 -0.093 0.000 3.074 40 V HA 0.885 5.005 4.120 -0.000 0.000 0.314 40 V C 0.999 177.046 176.094 -0.080 0.000 1.117 40 V CA 0.006 62.249 62.300 -0.095 0.000 1.014 40 V CB 1.020 32.796 31.823 -0.078 0.000 1.057 40 V HN 0.571 nan 8.190 nan 0.000 0.438 41 G N 2.612 111.363 108.800 -0.082 0.000 2.686 41 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.329 41 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.329 41 G C 0.826 175.678 174.900 -0.080 0.000 1.187 41 G CA 1.089 46.146 45.100 -0.071 0.000 0.965 41 G HN 1.869 nan 8.290 nan 0.000 0.549 42 N N 1.312 119.978 118.700 -0.057 0.000 2.521 42 N HA 0.118 4.858 4.740 -0.000 0.000 0.188 42 N C 1.653 177.144 175.510 -0.032 0.000 1.146 42 N CA 1.112 54.136 53.050 -0.044 0.000 0.893 42 N CB 0.023 38.499 38.487 -0.020 0.000 0.975 42 N HN 0.624 nan 8.380 nan 0.000 0.451 43 M N 0.464 120.035 119.600 -0.049 0.000 2.771 43 M HA 0.198 4.678 4.480 -0.000 0.000 0.341 43 M C 0.082 176.336 176.300 -0.078 0.000 1.226 43 M CA -0.333 54.941 55.300 -0.045 0.000 0.955 43 M CB 0.615 33.189 32.600 -0.043 0.000 1.318 43 M HN 0.006 nan 8.290 nan 0.000 0.514 44 R N 0.031 120.462 120.500 -0.117 0.000 2.368 44 R HA 0.324 4.664 4.340 -0.000 0.000 0.302 44 R C -0.319 175.881 176.300 -0.167 0.000 1.002 44 R CA 0.036 55.971 56.100 -0.275 0.000 0.929 44 R CB 0.587 30.611 30.300 -0.460 0.000 1.073 44 R HN 0.284 nan 8.270 nan 0.000 0.464 45 F N -0.454 119.493 119.950 -0.004 0.000 2.705 45 F HA -0.308 4.219 4.527 -0.000 0.000 0.413 45 F C 0.300 176.081 175.800 -0.032 0.000 0.588 45 F CA 0.958 58.935 58.000 -0.039 0.000 1.187 45 F CB -1.302 37.663 39.000 -0.059 0.000 1.737 45 F HN 0.603 nan 8.300 nan 0.000 0.285 46 R N 0.794 121.364 120.500 0.117 0.000 2.549 46 R HA 0.585 4.925 4.340 -0.000 0.000 0.267 46 R C 0.558 176.887 176.300 0.048 0.000 1.045 46 R CA -1.062 55.083 56.100 0.075 0.000 1.115 46 R CB 0.691 31.022 30.300 0.052 0.000 1.121 46 R HN 0.075 nan 8.270 nan 0.000 0.543 47 R N 2.130 122.659 120.500 0.049 0.000 2.640 47 R HA 0.048 4.388 4.340 -0.000 0.000 0.270 47 R C -1.941 174.384 176.300 0.042 0.000 1.024 47 R CA -1.023 55.107 56.100 0.050 0.000 1.085 47 R CB -0.107 30.227 30.300 0.057 0.000 0.963 47 R HN 0.383 nan 8.270 nan 0.000 0.426 48 P HA 0.021 nan 4.420 nan 0.000 0.272 48 P C -0.995 176.334 177.300 0.048 0.000 1.230 48 P CA 0.076 63.204 63.100 0.046 0.000 0.788 48 P CB 0.822 32.575 31.700 0.089 0.000 0.949 49 E N 1.865 122.081 120.200 0.028 0.000 2.256 49 E HA 0.426 4.776 4.350 -0.000 0.000 0.267 49 E C -2.471 174.153 176.600 0.039 0.000 0.892 49 E CA -2.636 53.784 56.400 0.033 0.000 0.775 49 E CB 1.046 30.757 29.700 0.020 0.000 1.207 49 E HN 0.312 nan 8.360 nan 0.000 0.420 50 P HA -0.084 nan 4.420 nan 0.000 0.266 50 P C -0.779 176.555 177.300 0.058 0.000 1.193 50 P CA -0.002 63.145 63.100 0.079 0.000 0.770 50 P CB 0.420 32.166 31.700 0.076 0.000 0.836 51 K N 3.790 124.233 120.400 0.072 0.000 2.383 51 K HA 0.049 4.369 4.320 -0.000 0.000 0.286 51 K C 0.129 176.800 176.600 0.119 0.000 1.051 51 K CA -0.141 56.187 56.287 0.068 0.000 0.974 51 K CB -0.109 32.432 32.500 0.068 0.000 0.968 51 K HN 0.305 nan 8.250 nan 0.000 0.475 52 K N 5.048 125.521 120.400 0.121 0.000 2.416 52 K HA 0.186 4.506 4.320 -0.000 0.000 0.283 52 K C -2.328 174.385 176.600 0.188 0.000 1.037 52 K CA -1.629 54.731 56.287 0.122 0.000 0.995 52 K CB 0.213 32.778 32.500 0.107 0.000 0.938 52 K HN 0.307 nan 8.250 nan 0.000 0.475 53 P HA -0.128 nan 4.420 nan 0.000 0.268 53 P C -1.210 176.179 177.300 0.149 0.000 1.189 53 P CA 0.333 63.398 63.100 -0.058 0.000 0.771 53 P CB 0.157 31.789 31.700 -0.114 0.000 0.822 54 W N 0.307 121.681 121.300 0.122 0.000 3.032 54 W HA 0.713 5.373 4.660 -0.000 0.000 0.341 54 W C -1.170 175.421 176.519 0.120 0.000 1.202 54 W CA -0.921 56.514 57.345 0.151 0.000 1.132 54 W CB 0.178 29.801 29.460 0.273 0.000 1.465 54 W HN 0.374 nan 8.180 nan 0.000 0.576 55 S N 0.942 116.875 115.700 0.389 0.000 2.621 55 S HA 0.909 5.379 4.470 -0.000 0.000 0.302 55 S C 0.311 175.106 174.600 0.326 0.000 1.093 55 S CA -0.054 58.293 58.200 0.246 0.000 1.017 55 S CB 1.255 64.538 63.200 0.138 0.000 1.077 55 S HN 2.359 nan 8.310 nan 0.000 0.517 56 G N 0.220 109.159 108.800 0.231 0.000 2.503 56 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.235 56 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.235 56 G C -0.814 174.251 174.900 0.275 0.000 1.179 56 G CA -0.243 44.977 45.100 0.200 0.000 0.944 56 G HN 1.717 nan 8.290 nan 0.000 0.580 57 V N -0.077 119.977 119.914 0.233 0.000 2.876 57 V HA 0.717 4.837 4.120 -0.000 0.000 0.312 57 V C -0.752 175.461 176.094 0.199 0.000 1.085 57 V CA -0.551 61.908 62.300 0.265 0.000 0.945 57 V CB 2.258 34.177 31.823 0.159 0.000 1.017 57 V HN 0.865 nan 8.190 nan 0.000 0.428 58 W N 4.527 125.888 121.300 0.103 0.000 2.361 58 W HA 0.394 5.054 4.660 -0.000 0.000 0.314 58 W C -0.154 176.369 176.519 0.007 0.000 1.041 58 W CA -0.695 56.598 57.345 -0.086 0.000 1.241 58 W CB 1.537 30.837 29.460 -0.267 0.000 1.279 58 W HN 0.707 nan 8.180 nan 0.000 0.436 59 N N 3.767 122.446 118.700 -0.034 0.000 2.483 59 N HA 0.196 4.936 4.740 -0.000 0.000 0.264 59 N C -0.818 174.810 175.510 0.196 0.000 1.197 59 N CA 0.601 53.676 53.050 0.041 0.000 0.927 59 N CB 1.301 39.729 38.487 -0.097 0.000 1.065 59 N HN 0.408 nan 8.380 nan 0.000 0.461 60 A N 2.636 125.557 122.820 0.168 0.000 3.317 60 A HA 0.295 4.614 4.320 -0.000 0.000 0.307 60 A C 0.433 178.002 177.584 -0.025 0.000 1.003 60 A CA -0.492 51.632 52.037 0.145 0.000 0.882 60 A CB -0.310 18.861 19.000 0.284 0.000 1.136 60 A HN 0.659 nan 8.150 nan 0.000 0.488 61 S N -1.060 114.602 115.700 -0.064 0.000 2.632 61 S HA 0.267 4.737 4.470 -0.000 0.000 0.237 61 S C 0.538 175.044 174.600 -0.156 0.000 1.037 61 S CA 0.602 58.728 58.200 -0.123 0.000 1.009 61 S CB -0.029 63.116 63.200 -0.092 0.000 0.974 61 S HN 1.160 nan 8.310 nan 0.000 0.544 62 T N -0.431 114.038 114.554 -0.142 0.000 2.912 62 T HA 0.646 4.996 4.350 -0.000 0.000 0.299 62 T C -0.951 173.678 174.700 -0.120 0.000 1.052 62 T CA -0.661 61.350 62.100 -0.148 0.000 0.996 62 T CB 0.712 69.535 68.868 -0.074 0.000 1.070 62 T HN 0.079 nan 8.240 nan 0.000 0.465 63 Y N 3.503 123.786 120.300 -0.029 0.000 2.811 63 Y HA 0.248 4.798 4.550 -0.000 0.000 0.334 63 Y C -1.468 174.377 175.900 -0.090 0.000 1.247 63 Y CA -0.987 57.094 58.100 -0.033 0.000 1.526 63 Y CB 0.134 38.600 38.460 0.009 0.000 1.284 63 Y HN 0.518 nan 8.280 nan 0.000 0.586 64 P HA 0.045 nan 4.420 nan 0.000 0.293 64 P C -0.702 176.540 177.300 -0.097 0.000 1.304 64 P CA -0.505 62.486 63.100 -0.183 0.000 0.767 64 P CB 0.877 32.298 31.700 -0.464 0.000 1.247 65 N N 0.226 118.839 118.700 -0.144 0.000 2.508 65 N HA 0.121 4.860 4.740 -0.000 0.000 0.264 65 N C 0.337 175.824 175.510 -0.038 0.000 1.216 65 N CA 0.122 53.127 53.050 -0.075 0.000 0.943 65 N CB -0.037 38.407 38.487 -0.071 0.000 1.113 65 N HN 0.404 nan 8.380 nan 0.000 0.447 66 N N -0.408 118.261 118.700 -0.052 0.000 2.366 66 N HA 0.280 5.020 4.740 -0.000 0.000 0.277 66 N C -0.332 175.138 175.510 -0.066 0.000 1.275 66 N CA -0.441 52.571 53.050 -0.063 0.000 0.964 66 N CB 0.631 39.055 38.487 -0.106 0.000 1.167 66 N HN 0.388 nan 8.380 nan 0.000 0.568 67 c N 0.586 119.135 118.600 -0.085 0.000 2.351 67 c HA 0.207 4.777 4.570 -0.000 0.000 0.359 67 c C 0.241 174.248 174.090 -0.138 0.000 1.193 67 c CA -0.850 55.412 56.329 -0.111 0.000 2.270 67 c CB 0.914 43.376 42.510 -0.080 0.000 2.369 67 c HN 0.530 nan 8.230 nan 0.000 0.553 68 Q N 2.302 121.951 119.800 -0.251 0.000 2.263 68 Q HA 0.208 4.548 4.340 -0.000 0.000 0.289 68 Q C -0.108 175.889 176.000 -0.005 0.000 1.061 68 Q CA 0.992 56.649 55.803 -0.244 0.000 0.927 68 Q CB 0.312 28.624 28.738 -0.710 0.000 1.154 68 Q HN 0.889 nan 8.270 nan 0.000 0.378 69 Q N 1.100 120.967 119.800 0.111 0.000 2.685 69 Q HA 0.296 4.635 4.340 -0.000 0.000 0.301 69 Q C -1.337 174.864 176.000 0.335 0.000 0.924 69 Q CA -1.024 54.925 55.803 0.243 0.000 0.755 69 Q CB 0.711 29.508 28.738 0.098 0.000 1.470 69 Q HN 0.470 nan 8.270 nan 0.000 0.434 70 Y N 1.717 122.250 120.300 0.387 0.000 2.616 70 Y HA 0.345 4.895 4.550 -0.000 0.000 0.350 70 Y C -0.731 175.400 175.900 0.384 0.000 1.119 70 Y CA -0.416 57.958 58.100 0.457 0.000 1.467 70 Y CB 0.267 39.152 38.460 0.709 0.000 1.287 70 Y HN 0.439 nan 8.280 nan 0.000 0.504 71 V N 5.533 125.392 119.914 -0.092 0.000 2.763 71 V HA -0.098 4.022 4.120 -0.000 0.000 0.306 71 V C 0.210 176.121 176.094 -0.305 0.000 1.059 71 V CA -0.006 62.219 62.300 -0.125 0.000 1.138 71 V CB 0.677 32.459 31.823 -0.069 0.000 0.940 71 V HN 0.674 nan 8.190 nan 0.000 0.489 72 D N 3.170 123.524 120.400 -0.076 0.000 2.347 72 D HA 0.231 4.871 4.640 -0.000 0.000 0.235 72 D C 0.457 176.786 176.300 0.049 0.000 1.149 72 D CA -0.099 53.902 54.000 0.001 0.000 0.850 72 D CB 0.749 41.663 40.800 0.190 0.000 1.061 72 D HN 0.654 nan 8.370 nan 0.000 0.487 73 E N 2.628 122.830 120.200 0.003 0.000 2.651 73 E HA -0.001 4.349 4.350 -0.000 0.000 0.208 73 E C 0.989 177.602 176.600 0.022 0.000 0.997 73 E CA -0.202 56.217 56.400 0.032 0.000 1.020 73 E CB 0.676 30.373 29.700 -0.006 0.000 1.052 73 E HN 0.491 nan 8.360 nan 0.000 0.465 74 Q N -0.320 119.497 119.800 0.028 0.000 2.119 74 Q HA -0.057 4.283 4.340 -0.000 0.000 0.201 74 Q C -0.153 175.582 176.000 -0.443 0.000 0.972 74 Q CA 1.105 56.786 55.803 -0.204 0.000 0.847 74 Q CB 0.266 28.926 28.738 -0.130 0.000 0.903 74 Q HN 0.203 nan 8.270 nan 0.000 0.433 75 F N 0.492 120.543 119.950 0.169 0.000 2.550 75 F HA 0.368 4.894 4.527 -0.000 0.000 0.348 75 F C -2.197 173.685 175.800 0.136 0.000 1.219 75 F CA -2.942 55.123 58.000 0.108 0.000 1.203 75 F CB 1.223 40.292 39.000 0.116 0.000 1.436 75 F HN -0.158 nan 8.300 nan 0.000 0.541 76 P HA 0.188 nan 4.420 nan 0.000 0.262 76 P C 0.988 178.374 177.300 0.143 0.000 1.199 76 P CA 1.258 64.444 63.100 0.143 0.000 0.763 76 P CB 0.775 32.524 31.700 0.081 0.000 0.790 77 G N 3.461 112.330 108.800 0.115 0.000 2.299 77 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.237 77 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.237 77 G C 0.119 175.070 174.900 0.084 0.000 1.027 77 G CA -0.454 44.691 45.100 0.074 0.000 0.619 77 G HN 0.525 nan 8.290 nan 0.000 0.513 78 F N 3.877 123.810 119.950 -0.028 0.000 2.538 78 F HA 0.415 4.942 4.527 -0.000 0.000 0.382 78 F C 1.841 177.559 175.800 -0.137 0.000 1.069 78 F CA 0.283 58.204 58.000 -0.133 0.000 1.138 78 F CB 0.778 39.662 39.000 -0.194 0.000 1.068 78 F HN 0.365 nan 8.300 nan 0.000 0.556 79 S N 3.404 118.725 115.700 -0.632 0.000 2.419 79 S HA -0.152 4.318 4.470 -0.000 0.000 0.235 79 S C 2.240 176.432 174.600 -0.680 0.000 1.019 79 S CA 0.899 58.761 58.200 -0.564 0.000 0.982 79 S CB -1.213 61.696 63.200 -0.485 0.000 0.789 79 S HN 0.805 nan 8.310 nan 0.000 0.490 80 G N 2.193 110.183 108.800 -1.351 0.000 2.545 80 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 80 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 80 G C 1.776 176.860 174.900 0.306 0.000 1.218 80 G CA 1.584 46.248 45.100 -0.727 0.000 0.787 80 G HN 0.851 nan 8.290 nan 0.000 0.571 81 S N -0.442 115.569 115.700 0.518 0.000 2.486 81 S HA 0.146 4.615 4.470 -0.000 0.000 0.220 81 S C 1.879 176.716 174.600 0.395 0.000 1.011 81 S CA 1.092 59.804 58.200 0.852 0.000 0.921 81 S CB 0.245 64.090 63.200 1.075 0.000 0.785 81 S HN 0.498 nan 8.310 nan 0.000 0.517 82 E N 1.766 122.051 120.200 0.142 0.000 2.204 82 E HA -0.068 4.281 4.350 -0.000 0.000 0.194 82 E C 2.046 178.576 176.600 -0.116 0.000 0.989 82 E CA 1.196 57.615 56.400 0.032 0.000 0.824 82 E CB -0.283 29.408 29.700 -0.014 0.000 0.756 82 E HN 0.859 nan 8.360 nan 0.000 0.477 83 M N -1.941 117.465 119.600 -0.323 0.000 2.630 83 M HA -0.008 4.472 4.480 -0.000 0.000 0.254 83 M C 0.780 176.734 176.300 -0.576 0.000 1.092 83 M CA 1.015 55.989 55.300 -0.542 0.000 1.087 83 M CB -0.248 31.876 32.600 -0.794 0.000 1.453 83 M HN 0.062 nan 8.290 nan 0.000 0.509 84 W N 0.864 122.126 121.300 -0.064 0.000 2.907 84 W HA 0.254 4.913 4.660 -0.000 0.000 0.271 84 W C 0.626 177.081 176.519 -0.106 0.000 1.253 84 W CA -1.043 56.240 57.345 -0.102 0.000 1.501 84 W CB 0.057 29.495 29.460 -0.036 0.000 1.047 84 W HN 0.103 nan 8.180 nan 0.000 0.610 85 N N 1.681 120.453 118.700 0.120 0.000 2.399 85 N HA 0.082 4.822 4.740 -0.000 0.000 0.250 85 N C -2.562 172.928 175.510 -0.033 0.000 1.272 85 N CA -1.162 51.913 53.050 0.042 0.000 0.928 85 N CB -0.268 38.244 38.487 0.040 0.000 1.158 85 N HN -0.384 nan 8.380 nan 0.000 0.463 86 P HA 0.008 nan 4.420 nan 0.000 0.258 86 P C 0.548 177.803 177.300 -0.075 0.000 1.214 86 P CA -0.077 62.975 63.100 -0.080 0.000 0.872 86 P CB -0.148 31.511 31.700 -0.068 0.000 0.890 87 N N 4.193 122.834 118.700 -0.099 0.000 2.244 87 N HA -0.118 4.622 4.740 -0.000 0.000 0.183 87 N C 0.596 176.065 175.510 -0.068 0.000 1.016 87 N CA 1.344 54.339 53.050 -0.092 0.000 0.866 87 N CB -0.175 38.236 38.487 -0.126 0.000 0.980 87 N HN 0.196 nan 8.380 nan 0.000 0.430 88 R N 0.377 120.835 120.500 -0.071 0.000 2.608 88 R HA 0.432 4.772 4.340 -0.000 0.000 0.255 88 R C 0.371 176.642 176.300 -0.049 0.000 1.086 88 R CA -0.135 55.937 56.100 -0.047 0.000 1.125 88 R CB -0.430 29.848 30.300 -0.037 0.000 1.193 88 R HN 0.382 nan 8.270 nan 0.000 0.553 89 E N 1.212 121.386 120.200 -0.043 0.000 2.425 89 E HA 0.199 4.549 4.350 -0.000 0.000 0.258 89 E C 0.103 176.670 176.600 -0.054 0.000 1.151 89 E CA 0.216 56.589 56.400 -0.045 0.000 0.958 89 E CB 0.294 29.968 29.700 -0.043 0.000 0.968 89 E HN 0.404 nan 8.360 nan 0.000 0.451 90 M N 0.956 120.523 119.600 -0.055 0.000 2.478 90 M HA 0.579 5.059 4.480 -0.000 0.000 0.327 90 M C -0.126 176.126 176.300 -0.081 0.000 1.187 90 M CA -0.549 54.708 55.300 -0.071 0.000 1.022 90 M CB 1.943 34.501 32.600 -0.069 0.000 1.629 90 M HN 0.542 nan 8.290 nan 0.000 0.461 91 S N 0.138 115.777 115.700 -0.102 0.000 2.556 91 S HA 0.192 4.662 4.470 -0.000 0.000 0.280 91 S C -0.066 174.447 174.600 -0.144 0.000 1.141 91 S CA -0.655 57.481 58.200 -0.108 0.000 0.883 91 S CB 1.316 64.477 63.200 -0.065 0.000 1.103 91 S HN 0.852 nan 8.310 nan 0.000 0.453 92 E N 1.283 121.371 120.200 -0.187 0.000 2.265 92 E HA -0.100 4.250 4.350 -0.000 0.000 0.196 92 E C -0.037 176.486 176.600 -0.127 0.000 0.996 92 E CA 0.561 56.825 56.400 -0.226 0.000 0.832 92 E CB 0.103 29.658 29.700 -0.243 0.000 0.756 92 E HN 0.523 nan 8.360 nan 0.000 0.491 93 D N 0.675 121.038 120.400 -0.062 0.000 2.619 93 D HA -0.010 4.630 4.640 -0.000 0.000 0.224 93 D C 0.046 176.423 176.300 0.128 0.000 1.133 93 D CA -0.133 53.877 54.000 0.016 0.000 1.017 93 D CB -0.207 40.626 40.800 0.056 0.000 1.077 93 D HN 0.178 nan 8.370 nan 0.000 0.503 94 c N 1.289 119.925 118.600 0.061 0.000 3.115 94 c HA 0.430 5.000 4.570 -0.000 0.000 0.277 94 c C 0.794 174.969 174.090 0.142 0.000 1.460 94 c CA -0.721 55.695 56.329 0.145 0.000 1.789 94 c CB -1.374 41.156 42.510 0.034 0.000 2.674 94 c HN 0.336 nan 8.230 nan 0.000 0.582 95 L N 2.409 123.536 121.223 -0.159 0.000 2.399 95 L HA 0.425 4.765 4.340 -0.000 0.000 0.257 95 L C -0.753 175.470 176.870 -1.079 0.000 1.236 95 L CA 0.352 54.834 54.840 -0.595 0.000 1.144 95 L CB -0.626 40.917 42.059 -0.860 0.000 1.379 95 L HN 0.381 nan 8.230 nan 0.000 0.414 96 Y N 1.838 122.009 120.300 -0.215 0.000 2.665 96 Y HA 0.724 5.274 4.550 -0.000 0.000 0.336 96 Y C -0.210 175.849 175.900 0.265 0.000 1.085 96 Y CA -1.295 56.762 58.100 -0.073 0.000 1.096 96 Y CB 1.836 40.257 38.460 -0.065 0.000 1.301 96 Y HN 0.152 nan 8.280 nan 0.000 0.493 97 L N -0.338 121.047 121.223 0.270 0.000 2.424 97 L HA 0.722 5.062 4.340 -0.000 0.000 0.258 97 L C -1.525 175.366 176.870 0.034 0.000 0.995 97 L CA -1.131 53.795 54.840 0.143 0.000 0.821 97 L CB 1.949 44.000 42.059 -0.014 0.000 1.383 97 L HN 0.437 nan 8.230 nan 0.000 0.410 98 N N 2.182 120.910 118.700 0.047 0.000 2.314 98 N HA 0.767 5.507 4.740 -0.000 0.000 0.304 98 N C -1.154 174.232 175.510 -0.206 0.000 1.073 98 N CA -0.269 52.708 53.050 -0.121 0.000 0.822 98 N CB 2.643 41.063 38.487 -0.113 0.000 1.280 98 N HN 0.668 nan 8.380 nan 0.000 0.489 99 I N -0.005 120.371 120.570 -0.323 0.000 2.785 99 I HA 0.480 4.650 4.170 -0.000 0.000 0.302 99 I C -0.851 175.139 176.117 -0.213 0.000 1.069 99 I CA -0.771 60.441 61.300 -0.147 0.000 1.045 99 I CB 2.570 40.480 38.000 -0.149 0.000 1.236 99 I HN 0.212 nan 8.210 nan 0.000 0.429 100 W N 4.310 125.770 121.300 0.266 0.000 2.715 100 W HA 0.560 5.220 4.660 -0.000 0.000 0.331 100 W C -1.407 175.275 176.519 0.271 0.000 1.031 100 W CA -0.569 56.935 57.345 0.264 0.000 1.237 100 W CB 2.122 31.708 29.460 0.210 0.000 1.378 100 W HN 0.039 nan 8.180 nan 0.000 0.454 101 V N 4.835 125.050 119.914 0.502 0.000 2.487 101 V HA 0.320 4.440 4.120 -0.000 0.000 0.298 101 V C -2.017 174.279 176.094 0.336 0.000 1.028 101 V CA -2.320 60.227 62.300 0.412 0.000 0.860 101 V CB 2.015 34.132 31.823 0.490 0.000 0.991 101 V HN 0.200 nan 8.190 nan 0.000 0.427 102 P HA 0.113 nan 4.420 nan 0.000 0.270 102 P C -0.560 176.855 177.300 0.192 0.000 1.227 102 P CA 0.153 63.377 63.100 0.206 0.000 0.788 102 P CB 0.530 32.311 31.700 0.134 0.000 0.926 103 S N 1.144 116.948 115.700 0.173 0.000 2.594 103 S HA 0.522 4.992 4.470 -0.000 0.000 0.296 103 S C -2.668 172.000 174.600 0.113 0.000 1.124 103 S CA -1.854 56.434 58.200 0.148 0.000 1.011 103 S CB 0.436 63.731 63.200 0.158 0.000 1.016 103 S HN 0.211 nan 8.310 nan 0.000 0.485 104 P HA 0.124 nan 4.420 nan 0.000 0.269 104 P C -0.563 176.796 177.300 0.098 0.000 1.215 104 P CA -0.503 62.649 63.100 0.086 0.000 0.780 104 P CB 0.427 32.164 31.700 0.062 0.000 0.898 105 R N 2.985 123.551 120.500 0.111 0.000 2.522 105 R HA 0.132 4.472 4.340 -0.000 0.000 0.284 105 R C -2.127 174.228 176.300 0.092 0.000 1.032 105 R CA -1.065 55.110 56.100 0.125 0.000 1.049 105 R CB -0.397 29.983 30.300 0.133 0.000 0.956 105 R HN 0.349 nan 8.270 nan 0.000 0.422 106 P HA 0.092 nan 4.420 nan 0.000 0.272 106 P C -0.373 176.957 177.300 0.050 0.000 1.240 106 P CA -0.281 62.858 63.100 0.064 0.000 0.791 106 P CB 0.755 32.495 31.700 0.068 0.000 0.978 107 K N -0.134 120.284 120.400 0.029 0.000 2.067 107 K HA 0.120 4.440 4.320 -0.000 0.000 0.203 107 K C 0.611 177.210 176.600 -0.002 0.000 1.048 107 K CA 1.134 57.429 56.287 0.013 0.000 0.954 107 K CB -0.057 32.445 32.500 0.004 0.000 0.737 107 K HN 0.332 nan 8.250 nan 0.000 0.444 108 S N 0.167 115.866 115.700 -0.002 0.000 2.849 108 S HA 0.147 4.616 4.470 -0.000 0.000 0.141 108 S C -0.888 173.707 174.600 -0.009 0.000 1.109 108 S CA -0.558 57.631 58.200 -0.018 0.000 1.106 108 S CB -0.053 63.123 63.200 -0.040 0.000 1.637 108 S HN 0.144 nan 8.310 nan 0.000 0.457 109 T N 1.774 116.335 114.554 0.012 0.000 2.910 109 T HA 0.590 4.940 4.350 -0.000 0.000 0.279 109 T C 0.209 174.919 174.700 0.016 0.000 0.989 109 T CA -0.003 62.106 62.100 0.015 0.000 0.968 109 T CB 0.924 69.812 68.868 0.033 0.000 1.135 109 T HN 0.535 nan 8.240 nan 0.000 0.562 110 T N 1.935 116.497 114.554 0.014 0.000 2.933 110 T HA 0.336 4.686 4.350 -0.000 0.000 0.306 110 T C -0.322 174.406 174.700 0.048 0.000 1.045 110 T CA -0.297 61.811 62.100 0.013 0.000 1.143 110 T CB 0.148 69.016 68.868 0.001 0.000 1.003 110 T HN 0.402 nan 8.240 nan 0.000 0.540 111 V N 4.597 124.543 119.914 0.054 0.000 2.604 111 V HA 0.566 4.686 4.120 -0.000 0.000 0.305 111 V C -0.116 176.058 176.094 0.135 0.000 1.043 111 V CA -0.853 61.507 62.300 0.100 0.000 0.888 111 V CB 1.782 33.656 31.823 0.084 0.000 0.995 111 V HN 0.854 nan 8.190 nan 0.000 0.429 112 M N 4.177 123.905 119.600 0.214 0.000 2.327 112 M HA 0.601 5.081 4.480 -0.000 0.000 0.298 112 M C -1.397 175.213 176.300 0.515 0.000 1.065 112 M CA -0.682 54.819 55.300 0.334 0.000 0.916 112 M CB 2.471 35.209 32.600 0.230 0.000 1.630 112 M HN 0.346 nan 8.290 nan 0.000 0.442 113 V N 2.632 122.867 119.914 0.535 0.000 2.384 113 V HA 0.367 4.487 4.120 -0.000 0.000 0.287 113 V C -0.850 175.331 176.094 0.145 0.000 1.020 113 V CA -0.599 61.901 62.300 0.333 0.000 0.850 113 V CB 1.578 33.482 31.823 0.135 0.000 0.987 113 V HN 0.874 nan 8.190 nan 0.000 0.436 114 W N 7.000 128.179 121.300 -0.201 0.000 2.351 114 W HA 0.648 5.308 4.660 -0.000 0.000 0.311 114 W C -1.344 174.960 176.519 -0.358 0.000 1.168 114 W CA -0.787 56.177 57.345 -0.634 0.000 1.200 114 W CB 1.273 30.529 29.460 -0.340 0.000 1.221 114 W HN 0.452 nan 8.180 nan 0.000 0.519 115 I N 9.413 129.143 120.570 -1.400 0.000 2.464 115 I HA 0.046 4.216 4.170 -0.000 0.000 0.277 115 I C -0.287 174.927 176.117 -1.506 0.000 1.040 115 I CA -1.083 59.531 61.300 -1.143 0.000 1.153 115 I CB 0.449 38.001 38.000 -0.747 0.000 1.274 115 I HN 0.293 nan 8.210 nan 0.000 0.469 116 Y N 4.178 123.857 120.300 -1.036 0.000 2.652 116 Y HA 0.534 5.084 4.550 -0.000 0.000 0.344 116 Y C 0.615 176.307 175.900 -0.348 0.000 1.254 116 Y CA -0.839 56.874 58.100 -0.645 0.000 1.480 116 Y CB -0.050 38.311 38.460 -0.165 0.000 1.345 116 Y HN 0.476 nan 8.280 nan 0.000 0.617 117 G N -0.670 108.110 108.800 -0.032 0.000 2.481 117 G HA2 0.559 4.519 3.960 -0.000 0.000 0.315 117 G HA3 0.559 4.519 3.960 -0.000 0.000 0.315 117 G C -0.297 174.513 174.900 -0.151 0.000 1.231 117 G CA -0.816 44.211 45.100 -0.120 0.000 0.968 117 G HN 1.420 nan 8.290 nan 0.000 0.482 118 G N -1.083 107.548 108.800 -0.283 0.000 4.918 118 G HA2 0.508 4.468 3.960 -0.000 0.000 0.220 118 G HA3 0.508 4.468 3.960 -0.000 0.000 0.220 118 G C 0.767 175.343 174.900 -0.541 0.000 2.090 118 G CA 0.784 45.637 45.100 -0.410 0.000 0.632 118 G HN 2.066 nan 8.290 nan 0.000 0.234 119 G N 0.287 108.664 108.800 -0.705 0.000 2.233 119 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.270 119 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.270 119 G C 0.820 175.388 174.900 -0.553 0.000 1.011 119 G CA 0.582 44.881 45.100 -1.334 0.000 0.762 119 G HN 1.508 nan 8.290 nan 0.000 0.511 120 F N -2.835 117.004 119.950 -0.184 0.000 3.069 120 F HA -0.307 4.220 4.527 -0.000 0.000 0.285 120 F C 1.386 177.278 175.800 0.153 0.000 0.827 120 F CA 2.189 60.194 58.000 0.008 0.000 1.108 120 F CB -2.044 36.830 39.000 -0.211 0.000 1.252 120 F HN 0.985 nan 8.300 nan 0.000 0.483 121 Y N -1.866 118.496 120.300 0.104 0.000 2.476 121 Y HA 0.576 5.126 4.550 -0.000 0.000 0.261 121 Y C 0.602 176.600 175.900 0.163 0.000 1.077 121 Y CA 0.441 58.637 58.100 0.159 0.000 1.240 121 Y CB 0.062 38.552 38.460 0.050 0.000 1.317 121 Y HN 0.054 nan 8.280 nan 0.000 0.540 122 S N -0.422 114.909 115.700 -0.615 0.000 2.790 122 S HA 0.907 5.377 4.470 -0.000 0.000 0.292 122 S C -0.103 174.272 174.600 -0.375 0.000 1.197 122 S CA -0.574 57.305 58.200 -0.535 0.000 0.851 122 S CB 1.432 64.119 63.200 -0.855 0.000 1.217 122 S HN 1.344 nan 8.310 nan 0.000 0.526 123 G N -0.524 108.040 108.800 -0.394 0.000 2.465 123 G HA2 0.414 4.374 3.960 -0.000 0.000 0.681 123 G HA3 0.414 4.374 3.960 -0.000 0.000 0.681 123 G C -1.079 173.215 174.900 -1.010 0.000 1.340 123 G CA -0.364 44.390 45.100 -0.576 0.000 0.884 123 G HN 1.430 nan 8.290 nan 0.000 0.650 124 S N -0.398 114.699 115.700 -1.005 0.000 2.649 124 S HA 0.570 5.040 4.470 -0.000 0.000 0.274 124 S C 0.909 175.359 174.600 -0.249 0.000 1.176 124 S CA 0.113 57.895 58.200 -0.695 0.000 0.988 124 S CB 1.638 64.659 63.200 -0.297 0.000 1.071 124 S HN 1.983 nan 8.310 nan 0.000 0.478 125 S N 0.809 116.530 115.700 0.034 0.000 2.515 125 S HA -0.111 4.359 4.470 -0.000 0.000 0.231 125 S C 1.689 176.440 174.600 0.252 0.000 0.987 125 S CA 1.224 59.710 58.200 0.477 0.000 0.936 125 S CB -0.757 62.790 63.200 0.577 0.000 0.766 125 S HN 0.856 nan 8.310 nan 0.000 0.528 126 T N 0.290 114.803 114.554 -0.069 0.000 3.113 126 T HA 0.291 4.641 4.350 -0.000 0.000 0.256 126 T C 0.668 175.059 174.700 -0.516 0.000 1.131 126 T CA -0.307 61.450 62.100 -0.572 0.000 1.074 126 T CB -0.767 67.790 68.868 -0.518 0.000 0.944 126 T HN 0.363 nan 8.240 nan 0.000 0.516 127 L N 2.212 123.279 121.223 -0.261 0.000 2.559 127 L HA 0.078 4.418 4.340 -0.000 0.000 0.282 127 L C 1.153 177.794 176.870 -0.382 0.000 1.232 127 L CA -0.174 54.446 54.840 -0.366 0.000 0.885 127 L CB 0.182 41.917 42.059 -0.540 0.000 1.131 127 L HN 0.117 nan 8.230 nan 0.000 0.498 128 D N 0.911 121.116 120.400 -0.325 0.000 2.311 128 D HA -0.151 4.489 4.640 -0.000 0.000 0.212 128 D C 1.809 177.924 176.300 -0.307 0.000 0.972 128 D CA 1.090 54.959 54.000 -0.218 0.000 0.887 128 D CB 0.043 40.734 40.800 -0.182 0.000 0.915 128 D HN 0.547 nan 8.370 nan 0.000 0.497 129 V N -2.136 117.441 119.914 -0.561 0.000 3.306 129 V HA -0.050 4.070 4.120 -0.000 0.000 0.264 129 V C 0.774 176.384 176.094 -0.806 0.000 1.149 129 V CA 0.822 62.721 62.300 -0.670 0.000 1.143 129 V CB -0.779 30.549 31.823 -0.824 0.000 0.767 129 V HN 0.094 nan 8.190 nan 0.000 0.476 130 Y N 0.105 120.034 120.300 -0.620 0.000 2.507 130 Y HA 0.435 4.985 4.550 -0.000 0.000 0.254 130 Y C 1.103 176.812 175.900 -0.319 0.000 1.171 130 Y CA -1.747 55.742 58.100 -1.018 0.000 1.238 130 Y CB -0.795 37.293 38.460 -0.619 0.000 1.148 130 Y HN 0.247 nan 8.280 nan 0.000 0.525 131 N N 1.654 120.361 118.700 0.011 0.000 2.417 131 N HA -0.046 4.694 4.740 -0.000 0.000 0.272 131 N C 1.264 176.637 175.510 -0.228 0.000 1.304 131 N CA 0.718 53.798 53.050 0.050 0.000 0.906 131 N CB 1.112 39.730 38.487 0.217 0.000 1.135 131 N HN 0.516 nan 8.380 nan 0.000 0.483 132 G N 3.337 111.357 108.800 -1.300 0.000 2.920 132 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.208 132 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.208 132 G C 1.451 175.756 174.900 -0.991 0.000 1.159 132 G CA 0.203 44.730 45.100 -0.955 0.000 0.784 132 G HN 0.766 nan 8.290 nan 0.000 0.535 133 K N -0.459 119.199 120.400 -1.237 0.000 2.147 133 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 133 K C 1.674 178.033 176.600 -0.402 0.000 1.049 133 K CA 1.077 56.920 56.287 -0.740 0.000 0.936 133 K CB -0.488 31.637 32.500 -0.625 0.000 0.722 133 K HN 0.350 nan 8.250 nan 0.000 0.446 134 Y N 1.148 121.319 120.300 -0.215 0.000 2.163 134 Y HA -0.135 4.415 4.550 -0.000 0.000 0.288 134 Y C 2.383 178.249 175.900 -0.057 0.000 1.136 134 Y CA 0.795 58.831 58.100 -0.108 0.000 1.147 134 Y CB -0.583 37.802 38.460 -0.126 0.000 0.987 134 Y HN 0.027 nan 8.280 nan 0.000 0.509 135 L N 0.375 121.624 121.223 0.044 0.000 2.056 135 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 135 L C 2.370 179.252 176.870 0.020 0.000 1.078 135 L CA 1.846 56.668 54.840 -0.031 0.000 0.749 135 L CB -1.149 40.801 42.059 -0.181 0.000 0.901 135 L HN 0.146 nan 8.230 nan 0.000 0.433 136 A N -1.341 121.498 122.820 0.032 0.000 1.940 136 A HA -0.298 4.022 4.320 -0.000 0.000 0.219 136 A C 2.289 179.950 177.584 0.128 0.000 1.176 136 A CA 2.068 54.173 52.037 0.113 0.000 0.631 136 A CB -1.125 17.993 19.000 0.196 0.000 0.814 136 A HN 0.658 nan 8.150 nan 0.000 0.446 137 Y N 0.775 121.075 120.300 -0.001 0.000 2.153 137 Y HA -0.129 4.420 4.550 -0.000 0.000 0.289 137 Y C 2.748 178.654 175.900 0.009 0.000 1.119 137 Y CA 2.347 60.450 58.100 0.004 0.000 1.116 137 Y CB -0.610 37.827 38.460 -0.040 0.000 1.004 137 Y HN 0.293 nan 8.280 nan 0.000 0.501 138 T N 0.563 115.181 114.554 0.107 0.000 2.635 138 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 138 T C 1.371 176.039 174.700 -0.053 0.000 1.040 138 T CA 1.835 63.939 62.100 0.006 0.000 1.156 138 T CB -0.227 68.689 68.868 0.080 0.000 0.863 138 T HN 0.314 nan 8.240 nan 0.000 0.430 139 E N 0.735 120.931 120.200 -0.006 0.000 2.479 139 E HA 0.075 4.425 4.350 -0.000 0.000 0.193 139 E C 0.056 176.656 176.600 -0.001 0.000 1.049 139 E CA 0.030 56.440 56.400 0.017 0.000 0.870 139 E CB -0.134 29.586 29.700 0.033 0.000 0.944 139 E HN 0.627 nan 8.360 nan 0.000 0.492 140 E N -0.033 120.147 120.200 -0.033 0.000 2.222 140 E HA -0.179 4.171 4.350 -0.000 0.000 0.189 140 E C -0.194 176.424 176.600 0.030 0.000 1.415 140 E CA 0.429 56.816 56.400 -0.021 0.000 0.689 140 E CB -1.816 27.855 29.700 -0.048 0.000 1.107 140 E HN 0.134 nan 8.360 nan 0.000 0.350 141 V N -3.896 116.057 119.914 0.065 0.000 3.167 141 V HA 0.695 4.814 4.120 -0.000 0.000 0.310 141 V C 0.114 176.294 176.094 0.145 0.000 1.207 141 V CA -1.224 61.127 62.300 0.086 0.000 1.059 141 V CB 2.314 34.178 31.823 0.069 0.000 1.079 141 V HN -0.032 nan 8.190 nan 0.000 0.446 142 V N 2.191 122.199 119.914 0.157 0.000 2.364 142 V HA 0.457 4.577 4.120 -0.000 0.000 0.272 142 V C -0.359 175.887 176.094 0.254 0.000 1.036 142 V CA -0.124 62.304 62.300 0.213 0.000 0.880 142 V CB 0.889 32.817 31.823 0.176 0.000 0.991 142 V HN 0.700 nan 8.190 nan 0.000 0.460 143 L N 7.451 128.887 121.223 0.356 0.000 2.295 143 L HA 0.584 4.924 4.340 -0.000 0.000 0.281 143 L C -0.280 176.921 176.870 0.553 0.000 1.018 143 L CA 0.212 55.316 54.840 0.440 0.000 0.841 143 L CB 1.489 43.794 42.059 0.411 0.000 1.218 143 L HN 0.441 nan 8.230 nan 0.000 0.424 144 V N 3.164 123.339 119.914 0.434 0.000 2.630 144 V HA 0.692 4.812 4.120 -0.000 0.000 0.305 144 V C 0.048 176.384 176.094 0.403 0.000 1.046 144 V CA -0.537 61.973 62.300 0.350 0.000 0.934 144 V CB 1.767 33.720 31.823 0.217 0.000 1.003 144 V HN 0.769 nan 8.190 nan 0.000 0.451 145 S N 3.318 119.240 115.700 0.371 0.000 2.521 145 S HA 0.837 5.307 4.470 -0.000 0.000 0.295 145 S C -0.882 173.858 174.600 0.232 0.000 1.098 145 S CA -0.621 57.819 58.200 0.400 0.000 0.999 145 S CB 1.272 64.847 63.200 0.625 0.000 1.034 145 S HN 0.657 nan 8.310 nan 0.000 0.483 146 L N 2.117 123.416 121.223 0.127 0.000 2.299 146 L HA 1.008 5.348 4.340 -0.000 0.000 0.268 146 L C -0.400 176.579 176.870 0.183 0.000 1.012 146 L CA -0.743 54.132 54.840 0.059 0.000 0.816 146 L CB 1.237 43.197 42.059 -0.165 0.000 1.355 146 L HN 0.625 nan 8.230 nan 0.000 0.457 147 S N -0.604 115.267 115.700 0.286 0.000 2.668 147 S HA 0.728 5.198 4.470 -0.000 0.000 0.277 147 S C -1.197 173.661 174.600 0.431 0.000 1.170 147 S CA -0.650 57.804 58.200 0.425 0.000 0.994 147 S CB 0.566 64.052 63.200 0.478 0.000 1.051 147 S HN 0.922 nan 8.310 nan 0.000 0.484 148 Y N 0.296 120.699 120.300 0.171 0.000 2.509 148 Y HA 0.755 5.305 4.550 -0.000 0.000 0.341 148 Y C -0.037 175.986 175.900 0.205 0.000 1.038 148 Y CA -1.595 56.604 58.100 0.165 0.000 1.089 148 Y CB 0.841 39.346 38.460 0.074 0.000 1.241 148 Y HN 0.680 nan 8.280 nan 0.000 0.468 149 R N 1.712 122.305 120.500 0.156 0.000 2.537 149 R HA 0.450 4.790 4.340 -0.000 0.000 0.280 149 R C -0.229 176.136 176.300 0.109 0.000 1.058 149 R CA -0.133 56.002 56.100 0.058 0.000 1.057 149 R CB 0.645 30.957 30.300 0.019 0.000 0.973 149 R HN 0.745 nan 8.270 nan 0.000 0.438 150 V N -0.035 119.983 119.914 0.175 0.000 3.204 150 V HA 0.887 5.007 4.120 -0.000 0.000 0.316 150 V C 0.717 177.096 176.094 0.476 0.000 1.160 150 V CA -0.205 62.327 62.300 0.387 0.000 1.044 150 V CB 1.081 33.027 31.823 0.204 0.000 1.136 150 V HN 0.975 nan 8.190 nan 0.000 0.455 151 G N -0.107 109.026 108.800 0.554 0.000 2.682 151 G HA2 0.069 4.029 3.960 -0.000 0.000 0.256 151 G HA3 0.069 4.029 3.960 -0.000 0.000 0.256 151 G C 0.975 176.038 174.900 0.272 0.000 1.333 151 G CA 0.791 46.176 45.100 0.474 0.000 0.904 151 G HN 2.232 nan 8.290 nan 0.000 0.569 152 A N -1.292 121.371 122.820 -0.262 0.000 1.948 152 A HA 0.092 4.412 4.320 -0.000 0.000 0.220 152 A C 2.239 179.691 177.584 -0.220 0.000 1.177 152 A CA 2.728 54.219 52.037 -0.911 0.000 0.636 152 A CB -0.561 17.648 19.000 -1.318 0.000 0.815 152 A HN 1.053 nan 8.150 nan 0.000 0.449 153 F N 0.001 119.998 119.950 0.078 0.000 2.091 153 F HA -0.122 4.405 4.527 -0.000 0.000 0.299 153 F C 2.488 178.275 175.800 -0.022 0.000 1.103 153 F CA 1.482 59.467 58.000 -0.026 0.000 1.228 153 F CB -0.891 38.045 39.000 -0.107 0.000 0.984 153 F HN 0.290 nan 8.300 nan 0.000 0.477 154 G N -2.932 105.917 108.800 0.081 0.000 3.126 154 G HA2 0.111 4.071 3.960 -0.000 0.000 0.224 154 G HA3 0.111 4.071 3.960 -0.000 0.000 0.224 154 G C 0.632 175.077 174.900 -0.757 0.000 1.142 154 G CA 0.058 44.968 45.100 -0.315 0.000 0.759 154 G HN 0.323 nan 8.290 nan 0.000 0.550 155 F N -0.807 119.222 119.950 0.131 0.000 2.915 155 F HA 0.400 4.927 4.527 -0.000 0.000 0.347 155 F C 0.272 176.095 175.800 0.038 0.000 1.104 155 F CA -1.082 56.970 58.000 0.086 0.000 1.126 155 F CB 0.456 39.531 39.000 0.126 0.000 1.145 155 F HN -0.079 nan 8.300 nan 0.000 0.541 156 L N 2.272 123.483 121.223 -0.020 0.000 2.562 156 L HA 0.512 4.852 4.340 -0.000 0.000 0.271 156 L C 0.155 176.969 176.870 -0.094 0.000 1.167 156 L CA -0.042 54.661 54.840 -0.229 0.000 0.917 156 L CB -0.336 41.286 42.059 -0.727 0.000 1.187 156 L HN 0.142 nan 8.230 nan 0.000 0.482 157 A N 6.320 129.146 122.820 0.010 0.000 2.356 157 A HA 0.847 5.167 4.320 -0.000 0.000 0.323 157 A C -1.057 176.533 177.584 0.010 0.000 1.119 157 A CA -0.592 51.460 52.037 0.026 0.000 0.790 157 A CB 1.175 20.226 19.000 0.086 0.000 1.273 157 A HN 0.688 nan 8.150 nan 0.000 0.452 158 L N 2.449 123.686 121.223 0.024 0.000 2.595 158 L HA 0.185 4.525 4.340 -0.000 0.000 0.259 158 L C -0.672 176.240 176.870 0.070 0.000 1.033 158 L CA -0.701 54.157 54.840 0.030 0.000 0.901 158 L CB 1.289 43.336 42.059 -0.020 0.000 1.151 158 L HN 0.968 nan 8.230 nan 0.000 0.453 159 H N 2.371 121.446 119.070 0.009 0.000 3.187 159 H HA 0.280 4.836 4.556 -0.000 0.000 0.286 159 H C 1.074 176.411 175.328 0.015 0.000 0.944 159 H CA 1.996 58.055 56.048 0.018 0.000 1.429 159 H CB 0.592 30.366 29.762 0.021 0.000 1.483 159 H HN 0.781 nan 8.280 nan 0.000 0.555 160 G N 2.742 111.328 108.800 -0.356 0.000 2.424 160 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.207 160 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.207 160 G C 0.559 175.388 174.900 -0.118 0.000 1.061 160 G CA 0.083 45.015 45.100 -0.279 0.000 0.657 160 G HN 0.885 nan 8.290 nan 0.000 0.508 161 S N 0.636 116.297 115.700 -0.064 0.000 2.568 161 S HA 0.414 4.883 4.470 -0.000 0.000 0.282 161 S C 1.370 175.962 174.600 -0.014 0.000 1.338 161 S CA 0.853 59.036 58.200 -0.028 0.000 1.045 161 S CB 1.013 64.203 63.200 -0.017 0.000 0.873 161 S HN 0.357 nan 8.310 nan 0.000 0.516 162 Q N 1.985 121.785 119.800 0.000 0.000 2.391 162 Q HA 0.115 4.455 4.340 -0.000 0.000 0.211 162 Q C 1.567 177.586 176.000 0.031 0.000 0.908 162 Q CA 0.421 56.232 55.803 0.013 0.000 0.920 162 Q CB 0.019 28.764 28.738 0.013 0.000 1.056 162 Q HN 0.725 nan 8.270 nan 0.000 0.523 163 E N 1.096 121.318 120.200 0.036 0.000 2.051 163 E HA 0.012 4.361 4.350 -0.000 0.000 0.189 163 E C 0.287 176.934 176.600 0.078 0.000 0.979 163 E CA 0.689 57.126 56.400 0.061 0.000 0.803 163 E CB 0.308 30.047 29.700 0.066 0.000 0.761 163 E HN 0.099 nan 8.360 nan 0.000 0.451 164 A N 2.256 125.096 122.820 0.033 0.000 2.938 164 A HA 0.278 4.598 4.320 -0.000 0.000 0.344 164 A C -1.883 175.711 177.584 0.017 0.000 1.142 164 A CA -1.165 50.878 52.037 0.010 0.000 0.841 164 A CB 0.577 19.502 19.000 -0.125 0.000 1.083 164 A HN -0.076 nan 8.150 nan 0.000 0.479 165 P HA 0.072 nan 4.420 nan 0.000 0.225 165 P C 0.868 178.215 177.300 0.077 0.000 1.156 165 P CA 1.678 64.811 63.100 0.056 0.000 0.787 165 P CB 0.136 31.872 31.700 0.059 0.000 0.802 166 G N 0.841 109.679 108.800 0.065 0.000 2.712 166 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.686 166 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.686 166 G C -0.092 174.845 174.900 0.063 0.000 1.321 166 G CA -0.299 44.849 45.100 0.080 0.000 0.813 166 G HN 0.176 nan 8.290 nan 0.000 0.599 167 N N -2.224 116.527 118.700 0.085 0.000 2.708 167 N HA -0.286 4.454 4.740 -0.000 0.000 0.251 167 N C 1.821 177.273 175.510 -0.097 0.000 1.123 167 N CA 2.177 55.226 53.050 -0.002 0.000 0.739 167 N CB -1.628 36.749 38.487 -0.184 0.000 1.113 167 N HN 1.854 nan 8.380 nan 0.000 0.561 168 V N -3.130 116.712 119.914 -0.120 0.000 2.809 168 V HA 0.057 4.177 4.120 -0.000 0.000 0.256 168 V C 2.295 178.294 176.094 -0.158 0.000 1.080 168 V CA 2.037 64.286 62.300 -0.085 0.000 1.102 168 V CB -0.693 31.105 31.823 -0.040 0.000 0.705 168 V HN 0.271 nan 8.190 nan 0.000 0.475 169 G N 0.526 109.034 108.800 -0.486 0.000 2.402 169 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.216 169 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.216 169 G C 1.530 176.428 174.900 -0.002 0.000 1.162 169 G CA 0.972 45.820 45.100 -0.420 0.000 0.777 169 G HN 0.511 nan 8.290 nan 0.000 0.539 170 L N 0.021 121.243 121.223 -0.001 0.000 2.141 170 L HA 0.086 4.426 4.340 -0.000 0.000 0.209 170 L C 2.781 179.754 176.870 0.172 0.000 1.094 170 L CA 0.315 55.160 54.840 0.009 0.000 0.763 170 L CB -0.236 41.589 42.059 -0.391 0.000 0.908 170 L HN 0.180 nan 8.230 nan 0.000 0.437 171 L N -0.686 120.625 121.223 0.146 0.000 2.141 171 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 171 L C 2.137 179.106 176.870 0.166 0.000 1.094 171 L CA 0.879 55.847 54.840 0.215 0.000 0.763 171 L CB -0.599 41.557 42.059 0.162 0.000 0.908 171 L HN 0.313 nan 8.230 nan 0.000 0.437 172 D N -0.073 120.422 120.400 0.158 0.000 2.097 172 D HA -0.189 4.451 4.640 -0.000 0.000 0.195 172 D C 2.232 178.591 176.300 0.098 0.000 0.989 172 D CA 1.135 55.284 54.000 0.248 0.000 0.827 172 D CB -0.137 40.850 40.800 0.312 0.000 0.966 172 D HN 0.438 nan 8.370 nan 0.000 0.456 173 Q N 0.346 120.170 119.800 0.039 0.000 2.096 173 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 173 Q C 2.310 178.187 176.000 -0.206 0.000 0.982 173 Q CA 1.037 56.759 55.803 -0.134 0.000 0.850 173 Q CB -0.106 28.576 28.738 -0.094 0.000 0.901 173 Q HN 0.194 nan 8.270 nan 0.000 0.422 174 R N 0.254 120.722 120.500 -0.053 0.000 2.092 174 R HA -0.145 4.195 4.340 -0.000 0.000 0.231 174 R C 2.159 178.428 176.300 -0.053 0.000 1.119 174 R CA 1.243 57.302 56.100 -0.068 0.000 0.970 174 R CB -0.083 30.271 30.300 0.091 0.000 0.864 174 R HN 0.182 nan 8.270 nan 0.000 0.440 175 M N 0.391 119.985 119.600 -0.009 0.000 2.213 175 M HA -0.029 4.450 4.480 -0.000 0.000 0.263 175 M C 1.868 178.142 176.300 -0.043 0.000 1.062 175 M CA 1.789 57.126 55.300 0.061 0.000 1.105 175 M CB -0.168 32.575 32.600 0.239 0.000 1.385 175 M HN 0.230 nan 8.290 nan 0.000 0.417 176 A N -0.452 122.104 122.820 -0.439 0.000 1.898 176 A HA 0.009 4.328 4.320 -0.000 0.000 0.214 176 A C 2.093 179.612 177.584 -0.108 0.000 1.183 176 A CA 1.174 52.873 52.037 -0.563 0.000 0.622 176 A CB -0.903 17.456 19.000 -1.068 0.000 0.824 176 A HN 0.537 nan 8.150 nan 0.000 0.444 177 L N -0.713 120.429 121.223 -0.136 0.000 2.191 177 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 177 L C 2.740 179.649 176.870 0.065 0.000 1.103 177 L CA 1.554 56.371 54.840 -0.038 0.000 0.769 177 L CB -0.336 41.653 42.059 -0.116 0.000 0.908 177 L HN 0.490 nan 8.230 nan 0.000 0.438 178 Q N -0.463 119.372 119.800 0.059 0.000 2.096 178 Q HA -0.204 4.135 4.340 -0.000 0.000 0.197 178 Q C 1.968 178.054 176.000 0.144 0.000 0.964 178 Q CA 1.422 57.269 55.803 0.073 0.000 0.838 178 Q CB -0.390 28.372 28.738 0.040 0.000 0.906 178 Q HN 0.441 nan 8.270 nan 0.000 0.444 179 W N -0.168 121.141 121.300 0.015 0.000 2.333 179 W HA -0.211 4.449 4.660 -0.000 0.000 0.316 179 W C 1.805 178.359 176.519 0.058 0.000 1.215 179 W CA 2.165 59.539 57.345 0.050 0.000 1.278 179 W CB -0.439 29.051 29.460 0.050 0.000 1.154 179 W HN 0.017 nan 8.180 nan 0.000 0.486 180 V N 0.377 120.447 119.914 0.261 0.000 2.392 180 V HA -0.386 3.734 4.120 -0.000 0.000 0.249 180 V C 2.540 178.601 176.094 -0.056 0.000 1.059 180 V CA 2.350 64.703 62.300 0.087 0.000 1.051 180 V CB -1.390 30.529 31.823 0.159 0.000 0.658 180 V HN 0.376 nan 8.190 nan 0.000 0.455 181 H N 1.059 120.083 119.070 -0.076 0.000 2.387 181 H HA -0.119 4.436 4.556 -0.000 0.000 0.299 181 H C 1.283 176.514 175.328 -0.161 0.000 1.090 181 H CA 1.830 57.823 56.048 -0.092 0.000 1.332 181 H CB 0.121 29.854 29.762 -0.048 0.000 1.386 181 H HN 0.528 nan 8.280 nan 0.000 0.516 182 D N -0.751 119.631 120.400 -0.030 0.000 2.440 182 D HA 0.075 4.715 4.640 -0.000 0.000 0.216 182 D C 0.470 176.619 176.300 -0.253 0.000 1.150 182 D CA -0.095 53.844 54.000 -0.102 0.000 0.832 182 D CB 0.292 41.074 40.800 -0.029 0.000 0.992 182 D HN 0.340 nan 8.370 nan 0.000 0.502 183 N N 0.066 118.494 118.700 -0.453 0.000 1.986 183 N HA 0.044 4.784 4.740 -0.000 0.000 0.227 183 N C 1.044 176.391 175.510 -0.271 0.000 1.387 183 N CA -0.108 52.660 53.050 -0.470 0.000 0.810 183 N CB 1.269 38.881 38.487 -1.458 0.000 1.140 183 N HN 0.005 nan 8.380 nan 0.000 0.504 184 I N 2.491 122.895 120.570 -0.277 0.000 2.852 184 I HA -0.091 4.078 4.170 -0.000 0.000 0.264 184 I C 2.439 178.532 176.117 -0.039 0.000 1.179 184 I CA 1.105 62.367 61.300 -0.063 0.000 1.480 184 I CB 0.013 37.972 38.000 -0.069 0.000 1.111 184 I HN 0.112 nan 8.210 nan 0.000 0.441 185 Q N -0.437 119.176 119.800 -0.313 0.000 2.234 185 Q HA -0.231 4.109 4.340 -0.000 0.000 0.206 185 Q C 1.688 177.498 176.000 -0.316 0.000 0.980 185 Q CA 1.752 57.335 55.803 -0.367 0.000 0.869 185 Q CB -0.860 27.544 28.738 -0.556 0.000 0.912 185 Q HN 0.414 nan 8.270 nan 0.000 0.436 186 F N -0.301 119.625 119.950 -0.040 0.000 2.502 186 F HA 0.090 4.617 4.527 -0.000 0.000 0.298 186 F C 0.983 176.597 175.800 -0.309 0.000 1.111 186 F CA 0.315 58.204 58.000 -0.184 0.000 1.445 186 F CB -0.089 38.739 39.000 -0.286 0.000 1.081 186 F HN 0.003 nan 8.300 nan 0.000 0.558 187 F N -0.572 119.385 119.950 0.012 0.000 2.695 187 F HA 0.422 4.949 4.527 -0.000 0.000 0.303 187 F C 1.741 177.555 175.800 0.025 0.000 1.091 187 F CA 0.268 58.258 58.000 -0.017 0.000 1.300 187 F CB -0.007 38.940 39.000 -0.088 0.000 1.071 187 F HN 0.013 nan 8.300 nan 0.000 0.578 188 G N 0.292 109.173 108.800 0.134 0.000 2.134 188 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.209 188 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.209 188 G C 0.444 175.388 174.900 0.072 0.000 0.993 188 G CA -0.302 44.851 45.100 0.087 0.000 0.669 188 G HN 0.715 nan 8.290 nan 0.000 0.519 189 G N -0.598 108.240 108.800 0.064 0.000 2.410 189 G HA2 0.539 4.499 3.960 -0.000 0.000 0.330 189 G HA3 0.539 4.499 3.960 -0.000 0.000 0.330 189 G C -1.013 173.865 174.900 -0.035 0.000 1.142 189 G CA 0.029 45.149 45.100 0.033 0.000 0.902 189 G HN 0.255 nan 8.290 nan 0.000 0.491 190 D N 1.356 121.734 120.400 -0.037 0.000 2.396 190 D HA 0.324 4.964 4.640 -0.000 0.000 0.225 190 D C -0.967 175.275 176.300 -0.097 0.000 1.121 190 D CA -2.327 51.627 54.000 -0.076 0.000 0.853 190 D CB 1.981 42.746 40.800 -0.058 0.000 1.043 190 D HN 0.051 nan 8.370 nan 0.000 0.500 191 P HA -0.162 nan 4.420 nan 0.000 0.222 191 P C 0.774 177.957 177.300 -0.195 0.000 1.147 191 P CA 0.933 63.898 63.100 -0.225 0.000 0.790 191 P CB 0.430 31.884 31.700 -0.410 0.000 0.780 192 K N -0.704 119.600 120.400 -0.160 0.000 2.228 192 K HA 0.042 4.362 4.320 -0.000 0.000 0.202 192 K C 0.413 176.970 176.600 -0.071 0.000 1.051 192 K CA 0.911 57.130 56.287 -0.113 0.000 0.960 192 K CB -0.087 32.352 32.500 -0.101 0.000 0.743 192 K HN 0.095 nan 8.250 nan 0.000 0.458 193 T N 1.494 116.012 114.554 -0.061 0.000 3.378 193 T HA 0.235 4.585 4.350 -0.000 0.000 0.359 193 T C -0.977 173.716 174.700 -0.013 0.000 1.815 193 T CA -0.253 61.820 62.100 -0.044 0.000 1.509 193 T CB 0.822 69.657 68.868 -0.055 0.000 1.049 193 T HN -0.161 nan 8.240 nan 0.000 0.705 194 V N 2.179 122.108 119.914 0.026 0.000 2.680 194 V HA 0.742 4.862 4.120 -0.000 0.000 0.309 194 V C -0.625 175.555 176.094 0.143 0.000 1.052 194 V CA -0.218 62.132 62.300 0.083 0.000 0.908 194 V CB 2.338 34.222 31.823 0.102 0.000 1.001 194 V HN 0.628 nan 8.190 nan 0.000 0.431 195 T N 7.346 121.993 114.554 0.155 0.000 2.829 195 T HA 0.590 4.940 4.350 -0.000 0.000 0.280 195 T C -0.370 174.496 174.700 0.276 0.000 0.999 195 T CA -0.182 62.039 62.100 0.202 0.000 0.983 195 T CB 1.087 70.026 68.868 0.118 0.000 0.968 195 T HN 0.758 nan 8.240 nan 0.000 0.446 196 I N 1.393 122.098 120.570 0.226 0.000 2.412 196 I HA 0.892 5.062 4.170 -0.000 0.000 0.296 196 I C -1.034 175.269 176.117 0.309 0.000 0.987 196 I CA -1.050 60.346 61.300 0.160 0.000 1.180 196 I CB 1.098 38.944 38.000 -0.257 0.000 1.340 196 I HN 0.527 nan 8.210 nan 0.000 0.455 197 F N 2.949 122.900 119.950 0.002 0.000 2.631 197 F HA 1.014 5.541 4.527 -0.000 0.000 0.308 197 F C -0.349 175.376 175.800 -0.125 0.000 1.097 197 F CA -1.151 56.871 58.000 0.037 0.000 0.952 197 F CB 1.231 40.364 39.000 0.223 0.000 1.307 197 F HN 0.823 nan 8.300 nan 0.000 0.450 198 G N 0.322 108.999 108.800 -0.204 0.000 2.645 198 G HA2 0.525 4.485 3.960 -0.000 0.000 0.292 198 G HA3 0.525 4.485 3.960 -0.000 0.000 0.292 198 G C -2.382 172.351 174.900 -0.279 0.000 1.415 198 G CA -0.752 43.895 45.100 -0.755 0.000 0.785 198 G HN 0.781 nan 8.290 nan 0.000 0.483 199 E N -0.008 119.987 120.200 -0.343 0.000 2.238 199 E HA 0.604 4.954 4.350 -0.000 0.000 0.267 199 E C 0.661 177.204 176.600 -0.096 0.000 0.887 199 E CA 0.314 56.703 56.400 -0.018 0.000 0.769 199 E CB 2.080 31.900 29.700 0.200 0.000 1.187 199 E HN 0.903 nan 8.360 nan 0.000 0.416 200 S N 3.295 119.001 115.700 0.010 0.000 4.139 200 S HA -0.404 4.066 4.470 -0.000 0.000 0.603 200 S C 1.494 176.197 174.600 0.172 0.000 1.897 200 S CA 2.480 60.766 58.200 0.143 0.000 4.241 200 S CB -1.585 61.621 63.200 0.010 0.000 0.221 200 S HN 0.938 nan 8.310 nan 0.000 0.488 201 A N 1.166 123.958 122.820 -0.048 0.000 2.070 201 A HA 0.249 4.569 4.320 -0.000 0.000 0.220 201 A C 2.452 179.770 177.584 -0.444 0.000 1.159 201 A CA 2.182 53.989 52.037 -0.383 0.000 0.656 201 A CB -1.462 16.875 19.000 -1.104 0.000 0.800 201 A HN 1.563 nan 8.150 nan 0.000 0.453 202 G N -0.713 107.884 108.800 -0.339 0.000 2.408 202 G HA2 0.133 4.093 3.960 -0.000 0.000 0.215 202 G HA3 0.133 4.093 3.960 -0.000 0.000 0.215 202 G C 1.406 176.108 174.900 -0.329 0.000 1.156 202 G CA 1.008 45.854 45.100 -0.423 0.000 0.793 202 G HN 0.640 nan 8.290 nan 0.000 0.535 203 G N 0.580 109.260 108.800 -0.200 0.000 2.511 203 G HA2 0.218 4.178 3.960 -0.000 0.000 0.217 203 G HA3 0.218 4.178 3.960 -0.000 0.000 0.217 203 G C 1.791 176.601 174.900 -0.149 0.000 1.133 203 G CA 1.272 46.300 45.100 -0.120 0.000 0.792 203 G HN 0.566 nan 8.290 nan 0.000 0.539 204 A N 0.674 123.415 122.820 -0.132 0.000 1.935 204 A HA 0.190 4.510 4.320 -0.000 0.000 0.214 204 A C 2.621 180.123 177.584 -0.137 0.000 1.178 204 A CA 1.746 53.680 52.037 -0.172 0.000 0.640 204 A CB -0.361 18.553 19.000 -0.144 0.000 0.825 204 A HN 0.236 nan 8.150 nan 0.000 0.447 205 S N 0.045 115.682 115.700 -0.104 0.000 2.370 205 S HA -0.152 4.318 4.470 -0.000 0.000 0.226 205 S C 1.899 176.423 174.600 -0.126 0.000 1.033 205 S CA 1.512 59.647 58.200 -0.110 0.000 1.011 205 S CB -0.506 62.586 63.200 -0.180 0.000 0.852 205 S HN 0.344 nan 8.310 nan 0.000 0.457 206 V N 1.736 121.577 119.914 -0.121 0.000 2.287 206 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 206 V C 2.633 178.675 176.094 -0.087 0.000 1.053 206 V CA 2.029 64.264 62.300 -0.108 0.000 1.027 206 V CB -1.529 30.213 31.823 -0.134 0.000 0.646 206 V HN 0.604 nan 8.190 nan 0.000 0.447 207 G N -0.959 107.731 108.800 -0.182 0.000 2.448 207 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.219 207 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.219 207 G C 1.536 176.413 174.900 -0.038 0.000 1.127 207 G CA 0.871 45.823 45.100 -0.245 0.000 0.766 207 G HN 0.482 nan 8.290 nan 0.000 0.552 208 M N -0.428 119.167 119.600 -0.009 0.000 2.334 208 M HA 0.105 4.585 4.480 -0.000 0.000 0.266 208 M C 1.964 178.378 176.300 0.191 0.000 1.082 208 M CA 0.625 56.040 55.300 0.191 0.000 1.141 208 M CB -0.143 32.580 32.600 0.206 0.000 1.380 208 M HN 0.121 nan 8.290 nan 0.000 0.440 209 H N 0.080 119.261 119.070 0.185 0.000 2.546 209 H HA 0.122 4.678 4.556 -0.000 0.000 0.277 209 H C 1.861 177.398 175.328 0.347 0.000 1.004 209 H CA 1.001 57.154 56.048 0.176 0.000 1.231 209 H CB 0.090 29.814 29.762 -0.064 0.000 1.382 209 H HN 0.434 nan 8.280 nan 0.000 0.580 210 I N 0.043 120.879 120.570 0.443 0.000 2.703 210 I HA -0.109 4.061 4.170 -0.000 0.000 0.259 210 I C 1.536 177.918 176.117 0.443 0.000 1.151 210 I CA 0.507 62.123 61.300 0.528 0.000 1.470 210 I CB 0.230 38.495 38.000 0.442 0.000 1.112 210 I HN 0.080 nan 8.210 nan 0.000 0.437 211 L N -0.441 121.014 121.223 0.386 0.000 2.592 211 L HA 0.130 4.470 4.340 -0.000 0.000 0.227 211 L C 0.867 177.911 176.870 0.290 0.000 1.127 211 L CA 0.087 55.171 54.840 0.406 0.000 0.884 211 L CB -0.004 42.318 42.059 0.439 0.000 1.065 211 L HN 0.029 nan 8.230 nan 0.000 0.457 212 S N -0.439 115.362 115.700 0.169 0.000 2.449 212 S HA 0.379 4.849 4.470 -0.000 0.000 0.310 212 S C -1.858 172.695 174.600 -0.078 0.000 1.096 212 S CA -1.503 56.639 58.200 -0.097 0.000 1.095 212 S CB 1.561 64.469 63.200 -0.487 0.000 1.007 212 S HN -0.165 nan 8.310 nan 0.000 0.474 213 P HA 0.025 nan 4.420 nan 0.000 0.217 213 P C 1.280 178.512 177.300 -0.114 0.000 1.150 213 P CA 0.893 63.944 63.100 -0.082 0.000 0.832 213 P CB -0.005 31.647 31.700 -0.080 0.000 0.787 214 G N -1.625 107.048 108.800 -0.211 0.000 2.848 214 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.208 214 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.208 214 G C 1.105 175.933 174.900 -0.121 0.000 1.152 214 G CA 0.390 45.376 45.100 -0.190 0.000 0.789 214 G HN 0.211 nan 8.290 nan 0.000 0.531 215 S N -0.860 114.816 115.700 -0.039 0.000 2.663 215 S HA 0.135 4.605 4.470 -0.000 0.000 0.247 215 S C 2.049 176.808 174.600 0.265 0.000 1.074 215 S CA -0.502 57.780 58.200 0.136 0.000 0.955 215 S CB 0.292 63.669 63.200 0.295 0.000 0.901 215 S HN 0.299 nan 8.310 nan 0.000 0.505 216 R N 2.174 122.761 120.500 0.146 0.000 2.134 216 R HA -0.143 4.197 4.340 -0.000 0.000 0.248 216 R C 0.792 176.930 176.300 -0.270 0.000 1.143 216 R CA 1.927 57.988 56.100 -0.064 0.000 0.957 216 R CB -0.411 29.869 30.300 -0.033 0.000 0.867 216 R HN 0.341 nan 8.270 nan 0.000 0.441 217 D N 0.182 120.513 120.400 -0.114 0.000 2.349 217 D HA -0.017 4.623 4.640 -0.000 0.000 0.224 217 D C 1.519 177.820 176.300 0.002 0.000 1.029 217 D CA 0.598 54.543 54.000 -0.092 0.000 0.879 217 D CB 0.221 40.984 40.800 -0.061 0.000 0.906 217 D HN 0.288 nan 8.370 nan 0.000 0.528 218 L N -0.158 121.111 121.223 0.075 0.000 2.446 218 L HA 0.072 4.412 4.340 -0.000 0.000 0.219 218 L C 0.485 177.535 176.870 0.301 0.000 1.116 218 L CA 0.300 55.272 54.840 0.220 0.000 0.844 218 L CB -0.022 42.145 42.059 0.181 0.000 0.970 218 L HN -0.044 nan 8.230 nan 0.000 0.457 219 F N -3.628 116.352 119.950 0.050 0.000 2.620 219 F HA 0.650 5.177 4.527 -0.000 0.000 0.320 219 F C 0.603 176.429 175.800 0.043 0.000 1.069 219 F CA -1.427 56.599 58.000 0.042 0.000 0.953 219 F CB 1.214 40.239 39.000 0.042 0.000 1.322 219 F HN -0.405 nan 8.300 nan 0.000 0.479 220 R N 0.568 121.108 120.500 0.067 0.000 2.087 220 R HA 0.430 4.769 4.340 -0.000 0.000 0.213 220 R C -0.025 176.293 176.300 0.030 0.000 1.137 220 R CA 0.834 56.909 56.100 -0.042 0.000 1.022 220 R CB 0.266 30.550 30.300 -0.027 0.000 0.920 220 R HN 0.800 nan 8.270 nan 0.000 0.451 221 R N -0.943 119.664 120.500 0.178 0.000 2.919 221 R HA 0.783 5.123 4.340 -0.000 0.000 0.260 221 R C -1.273 175.293 176.300 0.442 0.000 1.067 221 R CA -0.747 55.478 56.100 0.209 0.000 1.003 221 R CB 2.015 32.256 30.300 -0.098 0.000 1.192 221 R HN 0.185 nan 8.270 nan 0.000 0.488 222 A N 1.254 124.335 122.820 0.436 0.000 2.520 222 A HA 0.686 5.005 4.320 -0.000 0.000 0.298 222 A C -1.103 176.619 177.584 0.231 0.000 1.051 222 A CA -0.672 51.557 52.037 0.320 0.000 0.690 222 A CB 1.265 20.441 19.000 0.293 0.000 1.281 222 A HN 0.594 nan 8.150 nan 0.000 0.402 223 I N 1.623 122.273 120.570 0.133 0.000 2.498 223 I HA 0.420 4.590 4.170 -0.000 0.000 0.290 223 I C -1.489 174.662 176.117 0.057 0.000 1.032 223 I CA -0.712 60.584 61.300 -0.006 0.000 1.073 223 I CB 2.095 40.033 38.000 -0.103 0.000 1.251 223 I HN 0.432 nan 8.210 nan 0.000 0.426 224 L N 6.169 127.399 121.223 0.012 0.000 2.342 224 L HA 0.408 4.748 4.340 -0.000 0.000 0.276 224 L C -0.464 176.469 176.870 0.105 0.000 0.997 224 L CA -0.255 54.595 54.840 0.016 0.000 0.838 224 L CB 1.443 43.445 42.059 -0.096 0.000 1.224 224 L HN 0.483 nan 8.230 nan 0.000 0.416 225 Q N 1.909 121.832 119.800 0.205 0.000 2.360 225 Q HA 0.427 4.767 4.340 -0.000 0.000 0.254 225 Q C 0.156 176.280 176.000 0.207 0.000 0.975 225 Q CA -0.478 55.520 55.803 0.324 0.000 0.912 225 Q CB 1.175 30.205 28.738 0.487 0.000 1.212 225 Q HN 0.648 nan 8.270 nan 0.000 0.452 226 S N 1.091 116.902 115.700 0.185 0.000 3.614 226 S HA -0.173 4.297 4.470 -0.000 0.000 0.360 226 S C 0.031 174.776 174.600 0.242 0.000 1.023 226 S CA 0.555 58.882 58.200 0.211 0.000 1.114 226 S CB -1.107 62.236 63.200 0.238 0.000 0.907 226 S HN 0.971 nan 8.310 nan 0.000 0.470 227 G N -0.470 108.406 108.800 0.127 0.000 2.601 227 G HA2 0.722 4.682 3.960 -0.000 0.000 0.291 227 G HA3 0.722 4.682 3.960 -0.000 0.000 0.291 227 G C -1.043 173.790 174.900 -0.112 0.000 1.456 227 G CA 0.161 45.325 45.100 0.108 0.000 0.804 227 G HN 1.281 nan 8.290 nan 0.000 0.499 228 S N -0.146 115.409 115.700 -0.242 0.000 2.565 228 S HA 0.676 5.146 4.470 -0.000 0.000 0.274 228 S C -2.421 171.882 174.600 -0.496 0.000 1.144 228 S CA -0.695 57.214 58.200 -0.484 0.000 0.849 228 S CB 2.715 65.645 63.200 -0.450 0.000 1.103 228 S HN 0.481 nan 8.310 nan 0.000 0.455 229 P HA -0.121 nan 4.420 nan 0.000 0.219 229 P C 0.618 177.690 177.300 -0.380 0.000 1.146 229 P CA 1.342 64.206 63.100 -0.394 0.000 0.808 229 P CB -0.294 31.227 31.700 -0.299 0.000 0.779 230 N N -0.806 117.704 118.700 -0.317 0.000 2.314 230 N HA -0.008 4.732 4.740 -0.000 0.000 0.200 230 N C 0.069 175.379 175.510 -0.333 0.000 1.135 230 N CA -0.198 52.708 53.050 -0.240 0.000 0.835 230 N CB -1.217 37.252 38.487 -0.030 0.000 0.989 230 N HN 0.035 nan 8.380 nan 0.000 0.478 231 C N 2.599 121.585 119.300 -0.523 0.000 2.679 231 C HA 0.095 4.555 4.460 -0.000 0.000 0.417 231 C C -0.121 174.452 174.990 -0.694 0.000 1.302 231 C CA -0.955 57.635 59.018 -0.713 0.000 1.973 231 C CB 1.321 28.317 27.740 -1.240 0.000 2.715 231 C HN 0.335 nan 8.230 nan 0.000 0.628 232 P HA -0.126 nan 4.420 nan 0.000 0.218 232 P C 1.221 178.384 177.300 -0.229 0.000 1.148 232 P CA 2.027 64.916 63.100 -0.352 0.000 0.822 232 P CB -0.105 31.405 31.700 -0.316 0.000 0.784 233 W N -1.139 120.102 121.300 -0.098 0.000 3.197 233 W HA 0.522 5.182 4.660 -0.000 0.000 0.274 233 W C 1.517 178.134 176.519 0.163 0.000 1.297 233 W CA 0.331 57.728 57.345 0.086 0.000 1.662 233 W CB -1.327 28.302 29.460 0.282 0.000 1.106 233 W HN -0.116 nan 8.180 nan 0.000 0.663 234 A N 1.760 124.262 122.820 -0.530 0.000 1.930 234 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 234 A C 1.291 178.702 177.584 -0.290 0.000 1.175 234 A CA 1.904 53.696 52.037 -0.408 0.000 0.627 234 A CB -0.737 17.854 19.000 -0.681 0.000 0.815 234 A HN 0.288 nan 8.150 nan 0.000 0.443 235 S N -2.518 113.006 115.700 -0.292 0.000 2.625 235 S HA 0.626 5.096 4.470 -0.000 0.000 0.271 235 S C -0.851 173.621 174.600 -0.213 0.000 1.161 235 S CA -0.125 57.896 58.200 -0.297 0.000 0.820 235 S CB 1.419 64.382 63.200 -0.394 0.000 1.137 235 S HN 1.439 nan 8.310 nan 0.000 0.470 236 V N -0.978 118.827 119.914 -0.181 0.000 3.007 236 V HA 0.909 5.029 4.120 -0.000 0.000 0.311 236 V C 0.134 176.157 176.094 -0.118 0.000 1.120 236 V CA -0.441 61.779 62.300 -0.134 0.000 0.980 236 V CB 1.185 32.948 31.823 -0.099 0.000 1.033 236 V HN 1.482 nan 8.190 nan 0.000 0.429 237 S N 1.705 117.343 115.700 -0.104 0.000 2.589 237 S HA 0.250 4.720 4.470 -0.000 0.000 0.265 237 S C 1.407 175.964 174.600 -0.073 0.000 1.342 237 S CA 0.026 58.170 58.200 -0.093 0.000 1.005 237 S CB 1.200 64.350 63.200 -0.083 0.000 0.909 237 S HN 2.143 nan 8.310 nan 0.000 0.555 238 V N -0.998 118.865 119.914 -0.085 0.000 2.490 238 V HA -0.039 4.081 4.120 -0.000 0.000 0.250 238 V C 2.517 178.595 176.094 -0.027 0.000 1.061 238 V CA 1.676 63.942 62.300 -0.057 0.000 1.064 238 V CB -2.123 29.619 31.823 -0.134 0.000 0.670 238 V HN 1.008 nan 8.190 nan 0.000 0.461 239 A N 0.851 123.646 122.820 -0.041 0.000 1.845 239 A HA -0.214 4.106 4.320 -0.000 0.000 0.215 239 A C 2.235 179.800 177.584 -0.032 0.000 1.195 239 A CA 2.031 54.051 52.037 -0.028 0.000 0.616 239 A CB -0.767 18.214 19.000 -0.032 0.000 0.832 239 A HN 0.606 nan 8.150 nan 0.000 0.443 240 E N 0.158 120.330 120.200 -0.046 0.000 2.153 240 E HA -0.043 4.307 4.350 -0.000 0.000 0.194 240 E C 1.893 178.464 176.600 -0.049 0.000 0.988 240 E CA 1.556 57.922 56.400 -0.057 0.000 0.811 240 E CB -0.772 28.886 29.700 -0.070 0.000 0.746 240 E HN 0.419 nan 8.360 nan 0.000 0.466 241 G N 0.580 109.362 108.800 -0.030 0.000 2.414 241 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.215 241 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.215 241 G C 1.735 176.647 174.900 0.020 0.000 1.188 241 G CA 0.743 45.844 45.100 0.003 0.000 0.783 241 G HN 0.330 nan 8.290 nan 0.000 0.537 242 R N 0.454 120.963 120.500 0.014 0.000 2.105 242 R HA -0.083 4.256 4.340 -0.000 0.000 0.239 242 R C 2.550 178.852 176.300 0.002 0.000 1.135 242 R CA 1.629 57.737 56.100 0.014 0.000 0.967 242 R CB -0.336 29.975 30.300 0.019 0.000 0.861 242 R HN 0.355 nan 8.270 nan 0.000 0.442 243 R N 0.572 121.064 120.500 -0.013 0.000 2.073 243 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 243 R C 2.125 178.410 176.300 -0.025 0.000 1.134 243 R CA 1.821 57.905 56.100 -0.026 0.000 0.952 243 R CB -0.160 30.112 30.300 -0.047 0.000 0.850 243 R HN 0.280 nan 8.270 nan 0.000 0.433 244 R N -0.111 120.371 120.500 -0.030 0.000 2.115 244 R HA -0.052 4.288 4.340 -0.000 0.000 0.230 244 R C 2.342 178.693 176.300 0.085 0.000 1.111 244 R CA 1.199 57.278 56.100 -0.035 0.000 0.976 244 R CB -0.276 29.939 30.300 -0.141 0.000 0.870 244 R HN 0.284 nan 8.270 nan 0.000 0.445 245 A N 0.728 123.609 122.820 0.102 0.000 1.873 245 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 245 A C 2.326 179.919 177.584 0.015 0.000 1.186 245 A CA 1.277 53.358 52.037 0.074 0.000 0.616 245 A CB -0.413 18.583 19.000 -0.007 0.000 0.823 245 A HN 0.104 nan 8.150 nan 0.000 0.442 246 V N -0.051 119.865 119.914 0.004 0.000 2.453 246 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 246 V C 2.485 178.581 176.094 0.003 0.000 1.048 246 V CA 2.180 64.477 62.300 -0.005 0.000 1.049 246 V CB -0.680 31.138 31.823 -0.007 0.000 0.672 246 V HN 0.678 nan 8.190 nan 0.000 0.457 247 E N 0.300 120.503 120.200 0.005 0.000 2.268 247 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 247 E C 1.832 178.445 176.600 0.022 0.000 0.995 247 E CA 0.890 57.291 56.400 0.001 0.000 0.836 247 E CB -0.219 29.468 29.700 -0.022 0.000 0.763 247 E HN 0.499 nan 8.360 nan 0.000 0.491 248 L N -0.964 120.289 121.223 0.050 0.000 2.209 248 L HA 0.231 4.571 4.340 -0.000 0.000 0.207 248 L C 2.055 178.947 176.870 0.038 0.000 1.094 248 L CA 1.708 56.595 54.840 0.077 0.000 0.790 248 L CB -0.555 41.600 42.059 0.160 0.000 0.932 248 L HN 0.188 nan 8.230 nan 0.000 0.447 249 G N -0.828 107.982 108.800 0.015 0.000 2.471 249 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 249 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 249 G C 1.784 176.694 174.900 0.017 0.000 1.125 249 G CA 0.611 45.715 45.100 0.007 0.000 0.775 249 G HN 0.396 nan 8.290 nan 0.000 0.548 250 R N 0.112 120.623 120.500 0.018 0.000 2.246 250 R HA 0.119 4.459 4.340 -0.000 0.000 0.199 250 R C 1.322 177.638 176.300 0.026 0.000 0.984 250 R CA 0.291 56.403 56.100 0.019 0.000 1.015 250 R CB -0.024 30.284 30.300 0.013 0.000 0.930 250 R HN 0.159 nan 8.270 nan 0.000 0.475 251 N N 0.306 119.026 118.700 0.033 0.000 2.314 251 N HA 0.048 4.787 4.740 -0.000 0.000 0.200 251 N C 0.038 175.577 175.510 0.048 0.000 1.135 251 N CA 0.462 53.538 53.050 0.043 0.000 0.835 251 N CB 0.764 39.282 38.487 0.052 0.000 0.989 251 N HN 0.261 nan 8.380 nan 0.000 0.478 252 L N 0.047 121.295 121.223 0.043 0.000 3.573 252 L HA 0.197 4.537 4.340 -0.000 0.000 0.335 252 L C -0.618 176.277 176.870 0.042 0.000 1.321 252 L CA -0.299 54.569 54.840 0.047 0.000 1.009 252 L CB 0.206 42.295 42.059 0.049 0.000 1.417 252 L HN -0.082 nan 8.230 nan 0.000 0.619 253 N N 1.066 119.787 118.700 0.036 0.000 2.537 253 N HA -0.163 4.577 4.740 -0.000 0.000 0.286 253 N C -0.863 174.667 175.510 0.032 0.000 1.245 253 N CA 0.711 53.781 53.050 0.032 0.000 0.704 253 N CB -0.842 37.665 38.487 0.033 0.000 0.910 253 N HN 0.267 nan 8.380 nan 0.000 0.542 254 c N 1.302 119.918 118.600 0.027 0.000 2.898 254 c HA 0.385 4.955 4.570 -0.000 0.000 0.304 254 c C 0.656 174.757 174.090 0.019 0.000 1.237 254 c CA -1.162 55.184 56.329 0.027 0.000 1.529 254 c CB 2.035 44.561 42.510 0.026 0.000 2.021 254 c HN 0.622 nan 8.230 nan 0.000 0.474 255 N N 1.706 120.417 118.700 0.017 0.000 2.497 255 N HA 0.216 4.956 4.740 -0.000 0.000 0.268 255 N C -0.799 174.715 175.510 0.007 0.000 1.171 255 N CA 0.289 53.345 53.050 0.010 0.000 0.948 255 N CB 0.494 38.985 38.487 0.007 0.000 1.069 255 N HN 0.667 nan 8.380 nan 0.000 0.460 256 L N 3.851 125.077 121.223 0.004 0.000 2.959 256 L HA 0.302 4.642 4.340 -0.000 0.000 0.236 256 L C 0.825 177.695 176.870 -0.000 0.000 1.296 256 L CA -0.349 54.492 54.840 0.001 0.000 1.047 256 L CB -0.062 41.998 42.059 0.001 0.000 1.395 256 L HN 0.496 nan 8.230 nan 0.000 0.492 257 N N -0.315 118.385 118.700 -0.000 0.000 2.612 257 N HA 0.071 4.811 4.740 -0.000 0.000 0.224 257 N C 0.491 176.000 175.510 -0.002 0.000 1.051 257 N CA 0.357 53.406 53.050 -0.001 0.000 0.889 257 N CB 0.922 39.408 38.487 -0.001 0.000 1.449 257 N HN 0.367 nan 8.380 nan 0.000 0.442 258 S N 0.367 116.066 115.700 -0.002 0.000 2.500 258 S HA 0.396 4.866 4.470 -0.000 0.000 0.301 258 S C 0.033 174.632 174.600 -0.001 0.000 1.092 258 S CA -0.727 57.472 58.200 -0.002 0.000 1.030 258 S CB 2.361 65.560 63.200 -0.002 0.000 1.031 258 S HN -0.071 nan 8.310 nan 0.000 0.483 259 D N 1.786 122.183 120.400 -0.004 0.000 2.310 259 D HA -0.054 4.586 4.640 -0.000 0.000 0.212 259 D C 1.083 177.385 176.300 0.003 0.000 0.965 259 D CA 0.995 54.989 54.000 -0.010 0.000 0.879 259 D CB 0.078 40.869 40.800 -0.015 0.000 0.921 259 D HN 0.682 nan 8.370 nan 0.000 0.510 260 E N 0.881 121.088 120.200 0.012 0.000 2.107 260 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 260 E C 1.815 178.446 176.600 0.051 0.000 0.982 260 E CA 0.775 57.193 56.400 0.029 0.000 0.809 260 E CB -0.004 29.707 29.700 0.018 0.000 0.756 260 E HN 0.408 nan 8.360 nan 0.000 0.459 261 E N -0.283 119.936 120.200 0.031 0.000 2.216 261 E HA -0.013 4.337 4.350 -0.000 0.000 0.192 261 E C 1.842 178.480 176.600 0.063 0.000 0.973 261 E CA 0.032 56.455 56.400 0.038 0.000 0.851 261 E CB 0.048 29.747 29.700 -0.001 0.000 0.804 261 E HN 0.088 nan 8.360 nan 0.000 0.477 262 L N 1.567 122.809 121.223 0.032 0.000 2.017 262 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 262 L C 2.020 178.903 176.870 0.021 0.000 1.073 262 L CA 1.636 56.486 54.840 0.016 0.000 0.745 262 L CB -0.277 41.772 42.059 -0.017 0.000 0.894 262 L HN 0.069 nan 8.230 nan 0.000 0.432 263 I N -1.062 119.517 120.570 0.016 0.000 2.286 263 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 263 I C 2.499 178.694 176.117 0.130 0.000 1.115 263 I CA 1.355 62.667 61.300 0.020 0.000 1.392 263 I CB -0.678 37.332 38.000 0.016 0.000 1.065 263 I HN 0.438 nan 8.210 nan 0.000 0.418 264 H N 0.064 119.167 119.070 0.054 0.000 2.491 264 H HA -0.161 4.395 4.556 -0.000 0.000 0.290 264 H C 2.226 177.592 175.328 0.063 0.000 1.050 264 H CA 1.396 57.482 56.048 0.064 0.000 1.309 264 H CB 0.065 29.852 29.762 0.041 0.000 1.392 264 H HN 0.432 nan 8.280 nan 0.000 0.554 265 c N 0.287 119.012 118.600 0.209 0.000 2.468 265 c HA 0.120 4.690 4.570 -0.000 0.000 0.277 265 c C 2.407 176.565 174.090 0.113 0.000 1.400 265 c CA -0.035 56.384 56.329 0.150 0.000 1.770 265 c CB -1.166 41.401 42.510 0.095 0.000 1.905 265 c HN 0.467 nan 8.230 nan 0.000 0.519 266 L N 0.035 121.332 121.223 0.123 0.000 2.592 266 L HA 0.221 4.561 4.340 -0.000 0.000 0.227 266 L C 2.514 179.520 176.870 0.227 0.000 1.127 266 L CA 0.253 55.192 54.840 0.166 0.000 0.884 266 L CB -0.427 41.717 42.059 0.142 0.000 1.065 266 L HN 0.287 nan 8.230 nan 0.000 0.457 267 R N -0.593 119.981 120.500 0.124 0.000 2.175 267 R HA 0.041 4.381 4.340 -0.000 0.000 0.202 267 R C 1.565 177.864 176.300 -0.003 0.000 1.018 267 R CA 0.237 56.352 56.100 0.025 0.000 1.029 267 R CB 0.268 30.520 30.300 -0.080 0.000 0.959 267 R HN 0.193 nan 8.270 nan 0.000 0.480 268 E N 1.168 121.376 120.200 0.014 0.000 2.274 268 E HA -0.012 4.338 4.350 -0.000 0.000 0.194 268 E C 0.229 176.857 176.600 0.047 0.000 0.996 268 E CA 0.665 57.082 56.400 0.028 0.000 0.840 268 E CB 0.159 29.893 29.700 0.057 0.000 0.772 268 E HN 0.080 nan 8.360 nan 0.000 0.491 269 K N 1.731 122.170 120.400 0.065 0.000 2.336 269 K HA 0.084 4.404 4.320 -0.000 0.000 0.262 269 K C 0.279 176.928 176.600 0.081 0.000 0.992 269 K CA -0.025 56.308 56.287 0.076 0.000 0.927 269 K CB 0.302 32.855 32.500 0.088 0.000 0.956 269 K HN -0.156 nan 8.250 nan 0.000 0.495 270 K N 2.220 122.671 120.400 0.084 0.000 2.270 270 K HA 0.107 4.427 4.320 -0.000 0.000 0.276 270 K C -1.699 174.988 176.600 0.145 0.000 1.023 270 K CA -1.510 54.830 56.287 0.088 0.000 0.955 270 K CB 0.124 32.668 32.500 0.073 0.000 0.975 270 K HN 0.170 nan 8.250 nan 0.000 0.471 271 P HA -0.264 nan 4.420 nan 0.000 0.217 271 P C 1.023 178.538 177.300 0.360 0.000 1.151 271 P CA 1.255 64.540 63.100 0.309 0.000 0.849 271 P CB 0.294 32.008 31.700 0.025 0.000 0.787 272 Q N -0.078 119.846 119.800 0.206 0.000 2.167 272 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 272 Q C 1.983 178.100 176.000 0.195 0.000 0.970 272 Q CA 1.544 57.466 55.803 0.199 0.000 0.855 272 Q CB -0.739 28.081 28.738 0.137 0.000 0.911 272 Q HN 0.311 nan 8.270 nan 0.000 0.438 273 E N -0.658 119.639 120.200 0.161 0.000 2.150 273 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 273 E C 1.413 178.091 176.600 0.130 0.000 0.985 273 E CA 0.881 57.361 56.400 0.133 0.000 0.814 273 E CB 0.034 29.797 29.700 0.105 0.000 0.752 273 E HN 0.291 nan 8.360 nan 0.000 0.466 274 L N 0.279 121.580 121.223 0.130 0.000 2.465 274 L HA -0.091 4.248 4.340 -0.000 0.000 0.224 274 L C 1.941 178.863 176.870 0.086 0.000 1.145 274 L CA 1.034 55.896 54.840 0.036 0.000 0.834 274 L CB -0.138 41.821 42.059 -0.166 0.000 0.944 274 L HN 0.131 nan 8.230 nan 0.000 0.451 275 I N -1.311 119.380 120.570 0.202 0.000 2.628 275 I HA -0.085 4.085 4.170 -0.000 0.000 0.255 275 I C 1.566 177.849 176.117 0.276 0.000 1.119 275 I CA 0.422 61.888 61.300 0.276 0.000 1.448 275 I CB -0.235 37.990 38.000 0.374 0.000 1.133 275 I HN 0.115 nan 8.210 nan 0.000 0.438 276 D N 1.012 121.558 120.400 0.243 0.000 2.351 276 D HA -0.099 4.541 4.640 -0.000 0.000 0.216 276 D C 1.690 178.104 176.300 0.190 0.000 0.968 276 D CA 1.343 55.481 54.000 0.230 0.000 0.899 276 D CB 0.278 41.185 40.800 0.179 0.000 0.907 276 D HN 0.385 nan 8.370 nan 0.000 0.514 277 V N -3.174 116.835 119.914 0.159 0.000 3.398 277 V HA 0.185 4.305 4.120 -0.000 0.000 0.298 277 V C 1.703 177.862 176.094 0.108 0.000 1.496 277 V CA -0.287 62.089 62.300 0.128 0.000 1.044 277 V CB 0.487 32.370 31.823 0.100 0.000 0.880 277 V HN -0.125 nan 8.190 nan 0.000 0.443 278 E N 0.834 121.090 120.200 0.092 0.000 2.130 278 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 278 E C 1.412 177.865 176.600 -0.246 0.000 0.998 278 E CA 2.604 58.999 56.400 -0.007 0.000 0.806 278 E CB -0.116 29.514 29.700 -0.116 0.000 0.738 278 E HN 0.850 nan 8.360 nan 0.000 0.459 279 W N 0.590 121.831 121.300 -0.099 0.000 3.139 279 W HA 0.111 4.771 4.660 -0.000 0.000 0.260 279 W C 1.699 178.146 176.519 -0.120 0.000 1.312 279 W CA -0.349 56.898 57.345 -0.162 0.000 1.606 279 W CB 0.103 29.426 29.460 -0.230 0.000 1.118 279 W HN 0.042 nan 8.180 nan 0.000 0.675 280 N N 0.499 119.255 118.700 0.095 0.000 2.396 280 N HA -0.121 4.619 4.740 -0.000 0.000 0.180 280 N C 1.913 177.418 175.510 -0.010 0.000 1.028 280 N CA 1.717 54.797 53.050 0.050 0.000 0.893 280 N CB -0.685 37.833 38.487 0.052 0.000 0.967 280 N HN 0.254 nan 8.380 nan 0.000 0.440 281 V N -1.093 118.781 119.914 -0.067 0.000 2.970 281 V HA 0.065 4.185 4.120 -0.000 0.000 0.260 281 V C 1.048 177.056 176.094 -0.145 0.000 1.100 281 V CA 0.374 62.602 62.300 -0.120 0.000 1.122 281 V CB -0.888 30.818 31.823 -0.195 0.000 0.721 281 V HN 0.042 nan 8.190 nan 0.000 0.483 282 L N 1.475 122.629 121.223 -0.114 0.000 2.513 282 L HA 0.150 4.490 4.340 -0.000 0.000 0.272 282 L C -1.063 175.733 176.870 -0.123 0.000 1.187 282 L CA -0.934 53.851 54.840 -0.092 0.000 0.895 282 L CB 0.470 42.536 42.059 0.011 0.000 1.147 282 L HN 0.117 nan 8.230 nan 0.000 0.483 283 P HA -0.074 nan 4.420 nan 0.000 0.225 283 P C -0.580 176.306 177.300 -0.690 0.000 1.148 283 P CA 1.243 64.037 63.100 -0.510 0.000 0.779 283 P CB 0.231 31.512 31.700 -0.697 0.000 0.780 284 F N -2.881 117.075 119.950 0.009 0.000 2.675 284 F HA 0.190 4.717 4.527 -0.000 0.000 0.324 284 F C 0.545 176.353 175.800 0.014 0.000 1.106 284 F CA -1.002 57.007 58.000 0.016 0.000 0.970 284 F CB 0.591 39.610 39.000 0.031 0.000 1.385 284 F HN -0.523 nan 8.300 nan 0.000 0.489 285 D N -0.315 120.232 120.400 0.245 0.000 2.894 285 D HA 0.247 4.887 4.640 -0.000 0.000 0.248 285 D C -0.166 176.191 176.300 0.096 0.000 1.291 285 D CA -0.160 53.911 54.000 0.120 0.000 0.840 285 D CB 0.305 41.154 40.800 0.083 0.000 1.044 285 D HN 0.520 nan 8.370 nan 0.000 0.484 286 S N 0.456 116.234 115.700 0.129 0.000 2.554 286 S HA 0.557 5.026 4.470 -0.000 0.000 0.278 286 S C 0.387 175.013 174.600 0.043 0.000 1.242 286 S CA -0.995 57.251 58.200 0.076 0.000 1.051 286 S CB 1.246 64.501 63.200 0.092 0.000 0.986 286 S HN 0.530 nan 8.310 nan 0.000 0.502 287 I N -1.263 119.330 120.570 0.038 0.000 2.945 287 I HA 0.498 4.668 4.170 -0.000 0.000 0.292 287 I C 0.215 176.368 176.117 0.061 0.000 1.093 287 I CA -0.907 60.418 61.300 0.042 0.000 1.336 287 I CB -0.242 37.812 38.000 0.090 0.000 1.435 287 I HN 0.714 nan 8.210 nan 0.000 0.593 288 F N 1.614 121.465 119.950 -0.164 0.000 3.067 288 F HA -0.191 4.336 4.527 -0.000 0.000 0.279 288 F C -0.171 175.280 175.800 -0.581 0.000 0.945 288 F CA 0.713 58.442 58.000 -0.452 0.000 0.948 288 F CB -0.703 37.944 39.000 -0.588 0.000 0.898 288 F HN 0.577 nan 8.300 nan 0.000 0.746 289 R N 0.419 120.602 120.500 -0.528 0.000 2.621 289 R HA 0.616 4.956 4.340 -0.000 0.000 0.284 289 R C -0.960 174.966 176.300 -0.623 0.000 0.998 289 R CA -0.586 55.278 56.100 -0.394 0.000 0.895 289 R CB 1.361 31.642 30.300 -0.032 0.000 1.195 289 R HN 0.004 nan 8.270 nan 0.000 0.450 290 F N -0.792 119.293 119.950 0.225 0.000 2.561 290 F HA 0.392 4.919 4.527 -0.000 0.000 0.321 290 F C 1.548 177.272 175.800 -0.127 0.000 1.065 290 F CA -0.707 57.330 58.000 0.062 0.000 0.934 290 F CB 1.782 40.876 39.000 0.157 0.000 1.215 290 F HN 0.350 nan 8.300 nan 0.000 0.471 291 S N 0.381 115.935 115.700 -0.243 0.000 2.329 291 S HA 0.013 4.483 4.470 -0.000 0.000 0.215 291 S C 0.090 174.314 174.600 -0.627 0.000 1.031 291 S CA 1.013 58.868 58.200 -0.575 0.000 0.985 291 S CB -0.210 62.392 63.200 -0.996 0.000 0.917 291 S HN 0.334 nan 8.310 nan 0.000 0.441 292 F N 2.422 122.364 119.950 -0.014 0.000 2.313 292 F HA 0.525 5.051 4.527 -0.000 0.000 0.369 292 F C 0.085 175.878 175.800 -0.012 0.000 1.109 292 F CA -1.073 56.953 58.000 0.043 0.000 1.132 292 F CB 0.608 39.675 39.000 0.112 0.000 1.291 292 F HN -0.062 nan 8.300 nan 0.000 0.496 293 V N 0.913 120.798 119.914 -0.049 0.000 3.126 293 V HA 0.760 4.880 4.120 -0.000 0.000 0.314 293 V C -2.856 172.902 176.094 -0.560 0.000 1.138 293 V CA -3.450 58.543 62.300 -0.511 0.000 1.034 293 V CB 2.101 33.780 31.823 -0.240 0.000 1.075 293 V HN 0.224 nan 8.190 nan 0.000 0.442 294 P HA 0.213 nan 4.420 nan 0.000 0.267 294 P C -0.617 176.556 177.300 -0.211 0.000 1.195 294 P CA 0.380 63.214 63.100 -0.444 0.000 0.773 294 P CB 0.409 31.765 31.700 -0.573 0.000 0.837 295 V N 0.265 120.157 119.914 -0.036 0.000 2.823 295 V HA 0.441 4.561 4.120 -0.000 0.000 0.312 295 V C -0.156 175.989 176.094 0.086 0.000 1.072 295 V CA -0.929 61.359 62.300 -0.021 0.000 0.937 295 V CB 1.987 33.821 31.823 0.018 0.000 1.013 295 V HN 0.201 nan 8.190 nan 0.000 0.430 296 I N 5.035 125.597 120.570 -0.013 0.000 2.349 296 I HA 0.119 4.289 4.170 -0.000 0.000 0.302 296 I C 1.355 177.527 176.117 0.092 0.000 1.180 296 I CA 0.305 61.648 61.300 0.072 0.000 1.405 296 I CB -0.484 37.469 38.000 -0.078 0.000 1.474 296 I HN 0.992 nan 8.210 nan 0.000 0.632 297 D N 4.474 124.997 120.400 0.206 0.000 2.103 297 D HA -0.085 4.555 4.640 -0.000 0.000 0.199 297 D C 1.397 177.784 176.300 0.145 0.000 0.978 297 D CA 1.468 55.562 54.000 0.155 0.000 0.829 297 D CB 0.303 41.236 40.800 0.223 0.000 0.981 297 D HN 0.608 nan 8.370 nan 0.000 0.464 298 G N 0.551 109.464 108.800 0.188 0.000 2.205 298 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.180 298 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.180 298 G C 0.804 175.789 174.900 0.142 0.000 1.004 298 G CA 0.422 45.616 45.100 0.155 0.000 0.670 298 G HN 0.489 nan 8.290 nan 0.000 0.496 299 E N -1.495 118.796 120.200 0.152 0.000 2.391 299 E HA 0.375 4.725 4.350 -0.000 0.000 0.206 299 E C 1.510 178.140 176.600 0.050 0.000 0.851 299 E CA -0.267 56.190 56.400 0.095 0.000 1.059 299 E CB 0.282 30.042 29.700 0.100 0.000 1.065 299 E HN 0.286 nan 8.360 nan 0.000 0.512 300 F N -0.221 119.676 119.950 -0.089 0.000 2.505 300 F HA 0.302 4.829 4.527 -0.000 0.000 0.289 300 F C -0.141 175.367 175.800 -0.487 0.000 1.101 300 F CA 0.309 58.121 58.000 -0.313 0.000 1.446 300 F CB 0.708 39.453 39.000 -0.424 0.000 1.123 300 F HN -0.138 nan 8.300 nan 0.000 0.564 301 F N 1.168 121.286 119.950 0.280 0.000 2.564 301 F HA 0.395 4.922 4.527 -0.000 0.000 0.368 301 F C -1.873 173.988 175.800 0.102 0.000 1.127 301 F CA -2.983 55.123 58.000 0.175 0.000 1.170 301 F CB 0.517 39.596 39.000 0.132 0.000 1.397 301 F HN -0.222 nan 8.300 nan 0.000 0.493 302 P HA -0.156 nan 4.420 nan 0.000 0.218 302 P C 0.512 177.888 177.300 0.127 0.000 1.152 302 P CA 1.963 65.145 63.100 0.136 0.000 0.857 302 P CB 0.204 31.960 31.700 0.095 0.000 0.787 303 T N -6.883 107.759 114.554 0.147 0.000 2.618 303 T HA 0.478 4.828 4.350 -0.000 0.000 0.286 303 T C -0.157 174.596 174.700 0.087 0.000 1.027 303 T CA -0.682 61.477 62.100 0.098 0.000 1.063 303 T CB 0.766 69.681 68.868 0.078 0.000 1.440 303 T HN -0.047 nan 8.240 nan 0.000 0.505 304 S N -0.125 115.600 115.700 0.042 0.000 2.589 304 S HA 0.259 4.728 4.470 -0.000 0.000 0.265 304 S C 1.398 176.010 174.600 0.020 0.000 1.342 304 S CA -0.776 57.424 58.200 -0.000 0.000 1.005 304 S CB -0.295 62.904 63.200 -0.003 0.000 0.909 304 S HN 0.651 nan 8.310 nan 0.000 0.555 305 L N 0.096 121.295 121.223 -0.041 0.000 2.093 305 L HA -0.036 4.303 4.340 -0.000 0.000 0.208 305 L C 2.875 179.801 176.870 0.093 0.000 1.085 305 L CA 1.599 56.438 54.840 -0.001 0.000 0.755 305 L CB -0.719 41.280 42.059 -0.100 0.000 0.904 305 L HN 0.798 nan 8.230 nan 0.000 0.435 306 E N 0.779 121.029 120.200 0.082 0.000 2.077 306 E HA -0.192 4.157 4.350 -0.000 0.000 0.193 306 E C 2.279 178.963 176.600 0.140 0.000 0.989 306 E CA 1.752 58.233 56.400 0.136 0.000 0.800 306 E CB -0.061 29.701 29.700 0.103 0.000 0.746 306 E HN 0.455 nan 8.360 nan 0.000 0.452 307 S N -0.353 115.412 115.700 0.108 0.000 2.383 307 S HA -0.148 4.322 4.470 -0.000 0.000 0.227 307 S C 2.149 176.830 174.600 0.136 0.000 1.026 307 S CA 1.275 59.538 58.200 0.105 0.000 0.981 307 S CB -0.391 62.853 63.200 0.073 0.000 0.818 307 S HN 0.256 nan 8.310 nan 0.000 0.472 308 M N 0.987 120.688 119.600 0.168 0.000 2.132 308 M HA 0.045 4.525 4.480 -0.000 0.000 0.263 308 M C 2.272 178.794 176.300 0.370 0.000 1.065 308 M CA 1.334 56.774 55.300 0.234 0.000 1.122 308 M CB -0.692 32.074 32.600 0.277 0.000 1.365 308 M HN 0.294 nan 8.290 nan 0.000 0.411 309 L N 0.080 121.517 121.223 0.356 0.000 2.017 309 L HA -0.248 4.092 4.340 -0.000 0.000 0.208 309 L C 2.346 179.476 176.870 0.433 0.000 1.073 309 L CA 1.052 56.149 54.840 0.429 0.000 0.745 309 L CB -0.817 41.368 42.059 0.210 0.000 0.894 309 L HN 0.373 nan 8.230 nan 0.000 0.432 310 N N -0.028 118.837 118.700 0.275 0.000 2.039 310 N HA -0.166 4.574 4.740 -0.000 0.000 0.193 310 N C 2.011 177.682 175.510 0.268 0.000 1.044 310 N CA 1.903 55.103 53.050 0.251 0.000 0.847 310 N CB -0.560 38.025 38.487 0.164 0.000 1.030 310 N HN 0.322 nan 8.380 nan 0.000 0.422 311 S N -0.203 115.573 115.700 0.127 0.000 2.493 311 S HA 0.003 4.473 4.470 -0.000 0.000 0.243 311 S C 1.413 175.849 174.600 -0.274 0.000 0.991 311 S CA 1.035 59.219 58.200 -0.027 0.000 0.957 311 S CB -0.568 62.610 63.200 -0.036 0.000 0.756 311 S HN 0.559 nan 8.310 nan 0.000 0.521 312 G N 1.365 110.037 108.800 -0.213 0.000 2.182 312 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.248 312 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.248 312 G C -0.142 174.149 174.900 -1.015 0.000 1.042 312 G CA 0.067 44.651 45.100 -0.860 0.000 0.775 312 G HN 0.688 nan 8.290 nan 0.000 0.501 313 N N 0.540 118.975 118.700 -0.441 0.000 2.968 313 N HA 0.569 5.309 4.740 -0.000 0.000 0.271 313 N C 0.001 175.508 175.510 -0.005 0.000 1.174 313 N CA -0.100 52.811 53.050 -0.231 0.000 1.096 313 N CB -0.466 37.998 38.487 -0.037 0.000 1.403 313 N HN 0.682 nan 8.380 nan 0.000 0.522 314 F N -1.150 118.823 119.950 0.037 0.000 3.122 314 F HA 0.426 4.953 4.527 -0.000 0.000 0.325 314 F C -0.539 175.318 175.800 0.096 0.000 1.162 314 F CA -1.484 56.587 58.000 0.118 0.000 0.876 314 F CB 0.628 39.768 39.000 0.234 0.000 1.429 314 F HN -0.151 nan 8.300 nan 0.000 0.484 315 K N 1.171 121.890 120.400 0.532 0.000 2.383 315 K HA 0.276 4.596 4.320 -0.000 0.000 0.286 315 K C -1.105 175.769 176.600 0.457 0.000 1.051 315 K CA -0.341 56.147 56.287 0.335 0.000 0.974 315 K CB 0.506 33.141 32.500 0.226 0.000 0.968 315 K HN 0.569 nan 8.250 nan 0.000 0.475 316 K N 2.894 123.412 120.400 0.198 0.000 2.206 316 K HA 0.154 4.474 4.320 -0.000 0.000 0.268 316 K C -0.393 176.305 176.600 0.164 0.000 1.111 316 K CA -0.195 56.176 56.287 0.140 0.000 0.955 316 K CB 1.522 34.019 32.500 -0.006 0.000 1.406 316 K HN 0.549 nan 8.250 nan 0.000 0.427 317 T N 0.850 115.595 114.554 0.319 0.000 2.754 317 T HA 0.326 4.676 4.350 -0.000 0.000 0.296 317 T C -1.224 173.688 174.700 0.354 0.000 1.205 317 T CA -0.846 61.403 62.100 0.248 0.000 1.009 317 T CB 0.793 69.766 68.868 0.175 0.000 1.368 317 T HN 0.321 nan 8.240 nan 0.000 0.509 318 Q N 1.342 121.299 119.800 0.262 0.000 2.327 318 Q HA 0.635 4.975 4.340 -0.000 0.000 0.254 318 Q C 0.019 176.313 176.000 0.489 0.000 0.952 318 Q CA -0.056 55.959 55.803 0.353 0.000 0.884 318 Q CB 0.503 29.405 28.738 0.273 0.000 1.224 318 Q HN 0.646 nan 8.270 nan 0.000 0.422 319 I N -1.555 119.292 120.570 0.462 0.000 3.145 319 I HA 0.765 4.935 4.170 -0.000 0.000 0.313 319 I C -1.386 174.685 176.117 -0.077 0.000 1.122 319 I CA -1.520 59.939 61.300 0.266 0.000 0.987 319 I CB 1.960 39.930 38.000 -0.050 0.000 1.236 319 I HN 0.528 nan 8.210 nan 0.000 0.453 320 L N 4.719 125.683 121.223 -0.432 0.000 2.505 320 L HA 0.754 5.093 4.340 -0.000 0.000 0.266 320 L C -1.613 175.073 176.870 -0.307 0.000 0.954 320 L CA -0.464 53.997 54.840 -0.631 0.000 0.852 320 L CB 1.822 42.951 42.059 -1.550 0.000 1.282 320 L HN 0.866 nan 8.230 nan 0.000 0.403 321 L N 2.121 123.279 121.223 -0.109 0.000 2.720 321 L HA 1.104 5.444 4.340 -0.000 0.000 0.261 321 L C -0.877 175.743 176.870 -0.415 0.000 1.046 321 L CA -0.421 54.362 54.840 -0.095 0.000 0.886 321 L CB 1.893 43.893 42.059 -0.100 0.000 1.493 321 L HN 0.664 nan 8.230 nan 0.000 0.407 322 G N -0.149 108.154 108.800 -0.828 0.000 2.488 322 G HA2 0.623 4.583 3.960 -0.000 0.000 0.301 322 G HA3 0.623 4.583 3.960 -0.000 0.000 0.301 322 G C -1.512 173.053 174.900 -0.558 0.000 1.339 322 G CA -0.021 44.291 45.100 -1.313 0.000 0.803 322 G HN 1.451 nan 8.290 nan 0.000 0.482 323 V N -2.463 117.347 119.914 -0.173 0.000 3.160 323 V HA 0.792 4.912 4.120 -0.000 0.000 0.310 323 V C -0.817 175.441 176.094 0.272 0.000 1.181 323 V CA -1.437 60.953 62.300 0.150 0.000 1.047 323 V CB 1.934 33.865 31.823 0.180 0.000 1.068 323 V HN 0.711 nan 8.190 nan 0.000 0.441 324 N N 0.623 119.482 118.700 0.264 0.000 2.482 324 N HA 0.377 5.117 4.740 -0.000 0.000 0.279 324 N C 0.450 176.034 175.510 0.124 0.000 1.182 324 N CA -0.493 52.669 53.050 0.187 0.000 0.969 324 N CB 1.942 40.599 38.487 0.283 0.000 1.201 324 N HN 0.902 nan 8.380 nan 0.000 0.523 325 K N -0.109 120.264 120.400 -0.045 0.000 2.155 325 K HA -0.018 4.302 4.320 -0.000 0.000 0.203 325 K C -0.550 176.197 176.600 0.244 0.000 1.052 325 K CA 1.174 57.563 56.287 0.170 0.000 0.948 325 K CB 0.302 32.851 32.500 0.081 0.000 0.728 325 K HN 0.464 nan 8.250 nan 0.000 0.448 326 D N 1.052 121.562 120.400 0.184 0.000 2.613 326 D HA 0.032 4.672 4.640 -0.000 0.000 0.312 326 D C 0.025 176.433 176.300 0.180 0.000 1.202 326 D CA -0.084 54.017 54.000 0.168 0.000 0.825 326 D CB 1.355 42.226 40.800 0.119 0.000 1.113 326 D HN 0.129 nan 8.370 nan 0.000 0.502 327 E N 0.625 120.947 120.200 0.203 0.000 2.077 327 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 327 E C 2.060 178.781 176.600 0.202 0.000 0.989 327 E CA 0.787 57.323 56.400 0.226 0.000 0.800 327 E CB -0.005 29.790 29.700 0.160 0.000 0.746 327 E HN 0.435 nan 8.360 nan 0.000 0.452 328 G N 1.546 110.427 108.800 0.136 0.000 2.471 328 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 328 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 328 G C 1.763 176.783 174.900 0.201 0.000 1.125 328 G CA 1.257 46.447 45.100 0.149 0.000 0.775 328 G HN 0.380 nan 8.290 nan 0.000 0.548 329 S N 0.812 116.596 115.700 0.141 0.000 2.368 329 S HA -0.241 4.228 4.470 -0.000 0.000 0.226 329 S C 2.093 176.698 174.600 0.009 0.000 1.044 329 S CA 1.442 59.656 58.200 0.024 0.000 1.062 329 S CB -0.710 62.408 63.200 -0.136 0.000 0.931 329 S HN 0.233 nan 8.310 nan 0.000 0.440 330 F N 2.050 121.948 119.950 -0.087 0.000 2.120 330 F HA -0.011 4.515 4.527 -0.000 0.000 0.300 330 F C 1.812 177.534 175.800 -0.130 0.000 1.095 330 F CA 0.954 58.828 58.000 -0.210 0.000 1.249 330 F CB -0.611 38.189 39.000 -0.333 0.000 0.995 330 F HN 0.165 nan 8.300 nan 0.000 0.480 331 F N -0.345 119.686 119.950 0.135 0.000 2.206 331 F HA -0.095 4.431 4.527 -0.000 0.000 0.298 331 F C 2.235 178.051 175.800 0.027 0.000 1.090 331 F CA 0.924 58.940 58.000 0.027 0.000 1.323 331 F CB -1.133 37.781 39.000 -0.144 0.000 1.028 331 F HN -0.125 nan 8.300 nan 0.000 0.492 332 L N -0.538 120.731 121.223 0.077 0.000 2.131 332 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 332 L C 2.441 179.137 176.870 -0.290 0.000 1.092 332 L CA 0.590 55.251 54.840 -0.299 0.000 0.759 332 L CB -0.658 40.891 42.059 -0.850 0.000 0.903 332 L HN 0.182 nan 8.230 nan 0.000 0.435 333 L N -1.054 120.148 121.223 -0.036 0.000 2.079 333 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 333 L C 2.126 179.066 176.870 0.117 0.000 1.081 333 L CA 2.007 56.946 54.840 0.165 0.000 0.752 333 L CB -0.485 41.674 42.059 0.167 0.000 0.896 333 L HN 0.146 nan 8.230 nan 0.000 0.433 334 Y N -1.369 118.973 120.300 0.069 0.000 2.476 334 Y HA 0.298 4.847 4.550 -0.000 0.000 0.283 334 Y C 2.288 178.201 175.900 0.022 0.000 1.109 334 Y CA 0.609 58.736 58.100 0.045 0.000 1.246 334 Y CB -0.624 37.846 38.460 0.017 0.000 1.068 334 Y HN 0.157 nan 8.280 nan 0.000 0.552 335 G N -0.365 108.548 108.800 0.187 0.000 2.662 335 G HA2 0.296 4.256 3.960 -0.000 0.000 0.207 335 G HA3 0.296 4.256 3.960 -0.000 0.000 0.207 335 G C 0.547 175.523 174.900 0.127 0.000 1.154 335 G CA 0.434 45.602 45.100 0.113 0.000 0.837 335 G HN 0.299 nan 8.290 nan 0.000 0.580 336 A N 1.611 124.542 122.820 0.184 0.000 2.340 336 A HA 0.662 4.982 4.320 -0.000 0.000 0.268 336 A C -2.000 175.797 177.584 0.355 0.000 1.100 336 A CA -1.122 51.074 52.037 0.264 0.000 0.803 336 A CB 0.642 19.858 19.000 0.360 0.000 1.043 336 A HN 0.257 nan 8.150 nan 0.000 0.488 337 P HA 0.253 nan 4.420 nan 0.000 0.274 337 P C 0.669 177.917 177.300 -0.086 0.000 1.256 337 P CA 1.189 64.332 63.100 0.071 0.000 0.795 337 P CB 0.532 32.239 31.700 0.011 0.000 1.038 338 G N -0.921 107.768 108.800 -0.185 0.000 2.176 338 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.252 338 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.252 338 G C -0.584 173.889 174.900 -0.712 0.000 1.024 338 G CA -0.227 44.617 45.100 -0.426 0.000 0.755 338 G HN 0.369 nan 8.290 nan 0.000 0.507 339 F N -0.187 119.704 119.950 -0.098 0.000 2.569 339 F HA 0.793 5.320 4.527 -0.000 0.000 0.312 339 F C 0.192 175.976 175.800 -0.027 0.000 1.109 339 F CA -0.684 57.245 58.000 -0.118 0.000 0.919 339 F CB 2.566 41.580 39.000 0.023 0.000 1.211 339 F HN 0.236 nan 8.300 nan 0.000 0.446 340 S N 1.537 117.358 115.700 0.201 0.000 2.535 340 S HA 0.299 4.769 4.470 -0.000 0.000 0.272 340 S C 0.151 174.940 174.600 0.315 0.000 1.149 340 S CA -0.829 57.487 58.200 0.193 0.000 0.888 340 S CB 1.301 64.538 63.200 0.062 0.000 1.110 340 S HN 0.776 nan 8.310 nan 0.000 0.463 341 K N 1.372 121.895 120.400 0.205 0.000 2.439 341 K HA 0.117 4.437 4.320 -0.000 0.000 0.197 341 K C -0.290 176.355 176.600 0.075 0.000 1.041 341 K CA 0.879 57.254 56.287 0.147 0.000 0.970 341 K CB -0.096 32.238 32.500 -0.277 0.000 0.773 341 K HN 0.427 nan 8.250 nan 0.000 0.479 342 D N 1.886 122.301 120.400 0.025 0.000 2.738 342 D HA 0.087 4.727 4.640 -0.000 0.000 0.246 342 D C -0.413 175.902 176.300 0.025 0.000 1.270 342 D CA 0.106 54.103 54.000 -0.005 0.000 0.833 342 D CB 0.781 41.545 40.800 -0.061 0.000 1.040 342 D HN 0.355 nan 8.370 nan 0.000 0.487 343 S N -1.580 114.164 115.700 0.074 0.000 2.636 343 S HA 0.252 4.722 4.470 -0.000 0.000 0.268 343 S C 0.524 175.082 174.600 -0.070 0.000 1.159 343 S CA -0.792 57.400 58.200 -0.013 0.000 0.815 343 S CB 1.662 64.813 63.200 -0.082 0.000 1.130 343 S HN -0.094 nan 8.310 nan 0.000 0.471 344 E N 0.839 120.943 120.200 -0.160 0.000 2.285 344 E HA 0.199 4.549 4.350 -0.000 0.000 0.194 344 E C -0.355 175.868 176.600 -0.628 0.000 0.997 344 E CA 0.531 56.789 56.400 -0.237 0.000 0.845 344 E CB -0.223 29.407 29.700 -0.116 0.000 0.782 344 E HN 0.665 nan 8.360 nan 0.000 0.491 345 S N 1.125 116.462 115.700 -0.605 0.000 3.791 345 S HA -0.151 4.319 4.470 -0.000 0.000 0.393 345 S C -0.192 174.067 174.600 -0.568 0.000 0.936 345 S CA 0.449 58.206 58.200 -0.739 0.000 1.234 345 S CB -1.124 61.279 63.200 -1.327 0.000 0.891 345 S HN 0.261 nan 8.310 nan 0.000 0.519 346 K N 0.768 120.945 120.400 -0.372 0.000 2.202 346 K HA 0.399 4.718 4.320 -0.000 0.000 0.264 346 K C 0.233 176.653 176.600 -0.299 0.000 1.010 346 K CA -0.247 55.882 56.287 -0.263 0.000 0.940 346 K CB 0.374 32.769 32.500 -0.175 0.000 0.983 346 K HN 0.228 nan 8.250 nan 0.000 0.475 347 I N 2.318 122.760 120.570 -0.213 0.000 2.439 347 I HA 0.062 4.231 4.170 -0.000 0.000 0.283 347 I C 0.607 176.665 176.117 -0.098 0.000 1.023 347 I CA -0.507 60.686 61.300 -0.178 0.000 1.100 347 I CB 0.963 38.907 38.000 -0.094 0.000 1.238 347 I HN 0.633 nan 8.210 nan 0.000 0.445 348 S N 5.790 121.438 115.700 -0.086 0.000 2.608 348 S HA 0.285 4.755 4.470 -0.000 0.000 0.261 348 S C 1.283 175.879 174.600 -0.006 0.000 1.314 348 S CA -0.284 57.883 58.200 -0.055 0.000 0.992 348 S CB 1.613 64.784 63.200 -0.049 0.000 0.935 348 S HN 0.646 nan 8.310 nan 0.000 0.564 349 R N 0.983 121.478 120.500 -0.009 0.000 2.080 349 R HA -0.130 4.210 4.340 -0.000 0.000 0.236 349 R C 2.087 178.449 176.300 0.103 0.000 1.137 349 R CA 2.460 58.580 56.100 0.033 0.000 0.943 349 R CB -1.246 29.062 30.300 0.014 0.000 0.846 349 R HN 0.899 nan 8.270 nan 0.000 0.431 350 E N 0.030 120.264 120.200 0.057 0.000 2.058 350 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 350 E C 1.586 178.215 176.600 0.049 0.000 0.997 350 E CA 1.469 57.900 56.400 0.051 0.000 0.801 350 E CB -0.206 29.508 29.700 0.023 0.000 0.746 350 E HN 0.461 nan 8.360 nan 0.000 0.450 351 D N -0.205 120.213 120.400 0.030 0.000 2.310 351 D HA -0.123 4.517 4.640 -0.000 0.000 0.212 351 D C 1.506 177.838 176.300 0.054 0.000 0.965 351 D CA 0.615 54.617 54.000 0.003 0.000 0.879 351 D CB -0.049 40.709 40.800 -0.069 0.000 0.921 351 D HN 0.120 nan 8.370 nan 0.000 0.510 352 F N 0.783 120.707 119.950 -0.043 0.000 2.270 352 F HA 0.061 4.588 4.527 -0.000 0.000 0.295 352 F C 2.252 178.058 175.800 0.009 0.000 1.087 352 F CA 0.616 58.606 58.000 -0.016 0.000 1.365 352 F CB -0.065 38.911 39.000 -0.040 0.000 1.056 352 F HN -0.216 nan 8.300 nan 0.000 0.506 353 M N -0.099 119.538 119.600 0.062 0.000 2.229 353 M HA -0.151 4.329 4.480 -0.000 0.000 0.264 353 M C 2.350 178.609 176.300 -0.068 0.000 1.063 353 M CA 1.718 57.013 55.300 -0.007 0.000 1.114 353 M CB -0.584 32.060 32.600 0.073 0.000 1.387 353 M HN 0.319 nan 8.290 nan 0.000 0.420 354 S N 0.142 115.817 115.700 -0.041 0.000 2.357 354 S HA -0.020 4.450 4.470 -0.000 0.000 0.221 354 S C 2.096 176.664 174.600 -0.054 0.000 1.031 354 S CA 1.028 59.209 58.200 -0.031 0.000 0.982 354 S CB -1.328 61.870 63.200 -0.003 0.000 0.853 354 S HN 0.500 nan 8.310 nan 0.000 0.458 355 G N 1.886 110.645 108.800 -0.069 0.000 2.422 355 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.218 355 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.218 355 G C 1.479 176.288 174.900 -0.152 0.000 1.146 355 G CA 1.124 46.193 45.100 -0.052 0.000 0.769 355 G HN 0.954 nan 8.290 nan 0.000 0.547 356 V N -1.600 118.129 119.914 -0.309 0.000 3.510 356 V HA 0.289 4.409 4.120 -0.000 0.000 0.270 356 V C 1.948 177.949 176.094 -0.155 0.000 1.201 356 V CA 1.832 63.956 62.300 -0.294 0.000 1.166 356 V CB -0.225 31.331 31.823 -0.444 0.000 0.825 356 V HN 0.369 nan 8.190 nan 0.000 0.484 357 K N -0.419 119.910 120.400 -0.119 0.000 2.313 357 K HA 0.240 4.560 4.320 -0.000 0.000 0.197 357 K C 1.678 178.223 176.600 -0.092 0.000 1.061 357 K CA 0.384 56.614 56.287 -0.095 0.000 0.980 357 K CB 0.139 32.600 32.500 -0.064 0.000 0.888 357 K HN 0.452 nan 8.250 nan 0.000 0.502 358 L N 0.841 122.029 121.223 -0.058 0.000 2.446 358 L HA 0.107 4.447 4.340 -0.000 0.000 0.219 358 L C 1.840 178.695 176.870 -0.025 0.000 1.116 358 L CA 1.056 55.879 54.840 -0.029 0.000 0.844 358 L CB 0.197 42.262 42.059 0.009 0.000 0.970 358 L HN 0.007 nan 8.230 nan 0.000 0.457 359 S N -1.408 114.264 115.700 -0.046 0.000 2.470 359 S HA 0.104 4.574 4.470 -0.000 0.000 0.225 359 S C 0.825 175.383 174.600 -0.070 0.000 1.006 359 S CA 0.301 58.478 58.200 -0.039 0.000 0.934 359 S CB 0.291 63.451 63.200 -0.066 0.000 0.778 359 S HN 0.111 nan 8.310 nan 0.000 0.517 360 V N 3.439 123.278 119.914 -0.126 0.000 2.383 360 V HA 0.216 4.336 4.120 -0.000 0.000 0.261 360 V C -1.749 174.188 176.094 -0.260 0.000 0.987 360 V CA -1.565 60.602 62.300 -0.222 0.000 0.853 360 V CB 1.198 32.900 31.823 -0.202 0.000 1.095 360 V HN 0.122 nan 8.190 nan 0.000 0.461 361 P HA -0.166 nan 4.420 nan 0.000 0.210 361 P C 0.718 177.610 177.300 -0.681 0.000 1.189 361 P CA 1.375 64.162 63.100 -0.521 0.000 0.920 361 P CB -0.182 31.371 31.700 -0.245 0.000 0.782 362 H N 0.338 119.210 119.070 -0.332 0.000 3.563 362 H HA 0.587 5.143 4.556 -0.000 0.000 0.219 362 H C -0.294 174.971 175.328 -0.105 0.000 1.771 362 H CA -0.518 55.455 56.048 -0.125 0.000 1.458 362 H CB -1.321 28.477 29.762 0.061 0.000 1.796 362 H HN 0.082 nan 8.280 nan 0.000 0.652 363 A N 2.951 125.629 122.820 -0.238 0.000 2.513 363 A HA 0.361 4.680 4.320 -0.000 0.000 0.296 363 A C -0.437 177.069 177.584 -0.131 0.000 1.052 363 A CA -1.071 50.849 52.037 -0.195 0.000 0.714 363 A CB 1.313 20.159 19.000 -0.256 0.000 1.279 363 A HN 0.643 nan 8.150 nan 0.000 0.397 364 N N 0.794 119.444 118.700 -0.084 0.000 2.317 364 N HA 0.198 4.938 4.740 -0.000 0.000 0.245 364 N C 0.532 176.012 175.510 -0.050 0.000 1.294 364 N CA 0.319 53.339 53.050 -0.050 0.000 0.924 364 N CB 0.312 38.778 38.487 -0.034 0.000 1.186 364 N HN 0.630 nan 8.380 nan 0.000 0.495 365 D N -0.950 119.435 120.400 -0.027 0.000 2.149 365 D HA -0.188 4.452 4.640 -0.000 0.000 0.198 365 D C 1.548 177.845 176.300 -0.006 0.000 0.990 365 D CA 0.829 54.821 54.000 -0.013 0.000 0.839 365 D CB -0.110 40.690 40.800 0.000 0.000 0.948 365 D HN 0.481 nan 8.370 nan 0.000 0.460 366 L N -0.219 120.995 121.223 -0.014 0.000 2.131 366 L HA 0.113 4.453 4.340 -0.000 0.000 0.210 366 L C 2.180 179.043 176.870 -0.012 0.000 1.092 366 L CA 2.122 56.957 54.840 -0.008 0.000 0.759 366 L CB -0.838 41.207 42.059 -0.023 0.000 0.903 366 L HN 0.175 nan 8.230 nan 0.000 0.435 367 G N -0.978 107.791 108.800 -0.051 0.000 2.408 367 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.215 367 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.215 367 G C 1.546 176.424 174.900 -0.038 0.000 1.156 367 G CA 0.696 45.747 45.100 -0.082 0.000 0.793 367 G HN 0.395 nan 8.290 nan 0.000 0.535 368 L N 0.519 121.724 121.223 -0.030 0.000 1.994 368 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 368 L C 2.458 179.366 176.870 0.063 0.000 1.071 368 L CA 1.438 56.275 54.840 -0.006 0.000 0.745 368 L CB -0.445 41.600 42.059 -0.023 0.000 0.892 368 L HN 0.087 nan 8.230 nan 0.000 0.431 369 D N 0.028 120.474 120.400 0.076 0.000 2.218 369 D HA -0.131 4.509 4.640 -0.000 0.000 0.204 369 D C 2.145 178.547 176.300 0.170 0.000 0.976 369 D CA 1.146 55.224 54.000 0.130 0.000 0.853 369 D CB -0.024 40.838 40.800 0.104 0.000 0.939 369 D HN 0.324 nan 8.370 nan 0.000 0.481 370 A N 0.095 123.014 122.820 0.165 0.000 1.898 370 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 370 A C 2.319 180.113 177.584 0.349 0.000 1.181 370 A CA 1.066 53.265 52.037 0.270 0.000 0.620 370 A CB -0.613 18.549 19.000 0.270 0.000 0.819 370 A HN 0.159 nan 8.150 nan 0.000 0.442 371 V N -0.237 119.862 119.914 0.309 0.000 2.453 371 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 371 V C 2.674 178.912 176.094 0.240 0.000 1.048 371 V CA 2.271 64.732 62.300 0.269 0.000 1.049 371 V CB -1.356 30.600 31.823 0.221 0.000 0.672 371 V HN 0.587 nan 8.190 nan 0.000 0.457 372 T N 1.012 115.713 114.554 0.244 0.000 2.652 372 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 372 T C 1.922 176.792 174.700 0.285 0.000 1.039 372 T CA 1.974 64.265 62.100 0.317 0.000 1.153 372 T CB -0.424 68.631 68.868 0.311 0.000 0.863 372 T HN 0.324 nan 8.240 nan 0.000 0.428 373 L N 1.087 122.501 121.223 0.317 0.000 2.191 373 L HA -0.032 4.308 4.340 -0.000 0.000 0.212 373 L C 2.363 179.300 176.870 0.112 0.000 1.103 373 L CA 1.670 56.746 54.840 0.395 0.000 0.769 373 L CB -0.688 41.538 42.059 0.278 0.000 0.908 373 L HN 0.134 nan 8.230 nan 0.000 0.438 374 Q N -1.520 118.208 119.800 -0.120 0.000 2.187 374 Q HA -0.132 4.208 4.340 -0.000 0.000 0.199 374 Q C 1.165 176.876 176.000 -0.482 0.000 0.957 374 Q CA 1.766 57.268 55.803 -0.502 0.000 0.857 374 Q CB -0.143 27.883 28.738 -1.186 0.000 0.929 374 Q HN 0.667 nan 8.270 nan 0.000 0.453 375 Y N -1.187 119.061 120.300 -0.088 0.000 2.481 375 Y HA 0.344 4.894 4.550 -0.000 0.000 0.247 375 Y C -0.140 175.671 175.900 -0.150 0.000 1.151 375 Y CA -0.167 57.917 58.100 -0.027 0.000 1.238 375 Y CB 1.053 39.606 38.460 0.156 0.000 1.179 375 Y HN -0.174 nan 8.280 nan 0.000 0.524 376 T N 1.078 115.525 114.554 -0.178 0.000 2.795 376 T HA 0.094 4.444 4.350 -0.000 0.000 0.282 376 T C -0.803 173.482 174.700 -0.691 0.000 0.980 376 T CA -0.684 61.063 62.100 -0.589 0.000 1.012 376 T CB 1.170 69.451 68.868 -0.978 0.000 0.936 376 T HN 0.019 nan 8.240 nan 0.000 0.457 377 D N 1.958 122.027 120.400 -0.553 0.000 2.347 377 D HA 0.115 4.755 4.640 -0.000 0.000 0.235 377 D C -0.101 175.967 176.300 -0.386 0.000 1.149 377 D CA -0.606 53.190 54.000 -0.340 0.000 0.850 377 D CB 0.716 41.404 40.800 -0.186 0.000 1.061 377 D HN 0.611 nan 8.370 nan 0.000 0.487 378 W N 3.069 124.333 121.300 -0.059 0.000 2.905 378 W HA 0.117 4.776 4.660 -0.000 0.000 0.251 378 W C 2.010 178.503 176.519 -0.042 0.000 1.305 378 W CA -0.130 57.186 57.345 -0.049 0.000 1.465 378 W CB -0.178 29.259 29.460 -0.039 0.000 1.122 378 W HN 0.363 nan 8.180 nan 0.000 0.659 379 M N -0.080 119.594 119.600 0.124 0.000 2.618 379 M HA 0.035 4.515 4.480 -0.000 0.000 0.240 379 M C -0.170 176.141 176.300 0.018 0.000 1.123 379 M CA 1.168 56.508 55.300 0.067 0.000 1.060 379 M CB 0.090 32.717 32.600 0.045 0.000 1.535 379 M HN -0.169 nan 8.290 nan 0.000 0.507 380 D N 0.056 120.444 120.400 -0.020 0.000 3.709 380 D HA -0.037 4.603 4.640 -0.000 0.000 0.246 380 D C 0.005 176.233 176.300 -0.120 0.000 1.445 380 D CA 0.013 53.981 54.000 -0.054 0.000 0.861 380 D CB 0.249 41.019 40.800 -0.050 0.000 1.433 380 D HN 0.204 nan 8.370 nan 0.000 0.723 381 D N -0.414 119.906 120.400 -0.133 0.000 2.333 381 D HA -0.053 4.587 4.640 -0.000 0.000 0.208 381 D C 0.609 176.791 176.300 -0.197 0.000 0.984 381 D CA 0.032 53.887 54.000 -0.242 0.000 0.873 381 D CB 0.117 40.752 40.800 -0.275 0.000 0.935 381 D HN 0.170 nan 8.370 nan 0.000 0.521 382 N N 1.016 119.647 118.700 -0.115 0.000 2.398 382 N HA -0.059 4.681 4.740 -0.000 0.000 0.188 382 N C 0.229 175.680 175.510 -0.098 0.000 1.122 382 N CA -0.001 52.994 53.050 -0.092 0.000 0.866 382 N CB -0.173 38.283 38.487 -0.052 0.000 0.970 382 N HN 0.236 nan 8.380 nan 0.000 0.462 383 N N 1.083 119.713 118.700 -0.116 0.000 2.416 383 N HA 0.010 4.750 4.740 -0.000 0.000 0.265 383 N C 1.199 176.640 175.510 -0.115 0.000 1.195 383 N CA 0.051 53.041 53.050 -0.101 0.000 0.943 383 N CB 0.911 39.341 38.487 -0.096 0.000 1.115 383 N HN 0.129 nan 8.380 nan 0.000 0.481 384 G N 4.137 112.879 108.800 -0.096 0.000 2.448 384 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.219 384 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.219 384 G C 1.571 176.418 174.900 -0.089 0.000 1.127 384 G CA 0.441 45.479 45.100 -0.104 0.000 0.766 384 G HN 0.693 nan 8.290 nan 0.000 0.552 385 I N -0.010 120.522 120.570 -0.063 0.000 2.277 385 I HA -0.071 4.099 4.170 -0.000 0.000 0.243 385 I C 2.742 178.854 176.117 -0.009 0.000 1.094 385 I CA 0.953 62.239 61.300 -0.023 0.000 1.393 385 I CB -0.167 37.830 38.000 -0.005 0.000 1.078 385 I HN 0.075 nan 8.210 nan 0.000 0.417 386 K N 0.822 121.193 120.400 -0.048 0.000 2.057 386 K HA -0.135 4.185 4.320 -0.000 0.000 0.207 386 K C 1.848 178.389 176.600 -0.098 0.000 1.049 386 K CA 1.329 57.578 56.287 -0.064 0.000 0.931 386 K CB -0.268 32.164 32.500 -0.114 0.000 0.714 386 K HN 0.296 nan 8.250 nan 0.000 0.440 387 N N 0.927 119.519 118.700 -0.180 0.000 2.289 387 N HA -0.170 4.570 4.740 -0.000 0.000 0.184 387 N C 1.735 177.312 175.510 0.112 0.000 1.016 387 N CA 0.863 53.759 53.050 -0.257 0.000 0.872 387 N CB -0.087 38.233 38.487 -0.280 0.000 0.973 387 N HN 0.254 nan 8.380 nan 0.000 0.433 388 R N 1.111 121.671 120.500 0.100 0.000 2.062 388 R HA -0.056 4.283 4.340 -0.000 0.000 0.229 388 R C 0.888 177.364 176.300 0.294 0.000 1.128 388 R CA 1.234 57.466 56.100 0.220 0.000 0.960 388 R CB 0.081 30.457 30.300 0.126 0.000 0.855 388 R HN 0.103 nan 8.270 nan 0.000 0.432 389 D N -0.507 120.019 120.400 0.210 0.000 2.178 389 D HA -0.082 4.558 4.640 -0.000 0.000 0.202 389 D C 1.678 178.107 176.300 0.215 0.000 0.974 389 D CA 1.344 55.471 54.000 0.212 0.000 0.841 389 D CB -0.250 40.646 40.800 0.160 0.000 0.953 389 D HN 0.487 nan 8.370 nan 0.000 0.478 390 G N 1.501 110.430 108.800 0.214 0.000 2.434 390 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.214 390 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.214 390 G C 1.577 176.631 174.900 0.257 0.000 1.202 390 G CA 0.310 45.575 45.100 0.275 0.000 0.788 390 G HN 0.217 nan 8.290 nan 0.000 0.539 391 L N 1.018 122.515 121.223 0.458 0.000 2.191 391 L HA -0.008 4.332 4.340 -0.000 0.000 0.212 391 L C 2.093 179.029 176.870 0.110 0.000 1.103 391 L CA 2.369 57.337 54.840 0.213 0.000 0.769 391 L CB -0.587 41.634 42.059 0.270 0.000 0.908 391 L HN 0.325 nan 8.230 nan 0.000 0.438 392 D N -0.980 119.531 120.400 0.184 0.000 2.084 392 D HA -0.199 4.441 4.640 -0.000 0.000 0.196 392 D C 1.697 178.038 176.300 0.070 0.000 0.985 392 D CA 1.498 55.589 54.000 0.151 0.000 0.826 392 D CB 0.024 40.961 40.800 0.228 0.000 0.978 392 D HN 0.364 nan 8.370 nan 0.000 0.456 393 D N -0.153 120.286 120.400 0.065 0.000 2.178 393 D HA -0.112 4.528 4.640 -0.000 0.000 0.201 393 D C 2.273 178.493 176.300 -0.133 0.000 0.980 393 D CA 0.478 54.510 54.000 0.052 0.000 0.842 393 D CB -0.092 40.836 40.800 0.213 0.000 0.948 393 D HN 0.397 nan 8.370 nan 0.000 0.472 394 I N 0.691 121.040 120.570 -0.368 0.000 2.099 394 I HA -0.262 3.908 4.170 -0.000 0.000 0.239 394 I C 2.503 178.456 176.117 -0.273 0.000 1.066 394 I CA 0.845 61.911 61.300 -0.390 0.000 1.324 394 I CB -0.362 37.452 38.000 -0.310 0.000 1.037 394 I HN -0.117 nan 8.210 nan 0.000 0.401 395 V N 1.052 120.859 119.914 -0.178 0.000 2.407 395 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 395 V C 2.495 178.434 176.094 -0.258 0.000 1.055 395 V CA 2.156 64.350 62.300 -0.177 0.000 1.049 395 V CB -1.476 30.319 31.823 -0.047 0.000 0.662 395 V HN 0.614 nan 8.190 nan 0.000 0.455 396 G N -0.454 108.256 108.800 -0.150 0.000 2.394 396 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.215 396 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.215 396 G C 1.223 176.022 174.900 -0.168 0.000 1.165 396 G CA 0.774 45.805 45.100 -0.114 0.000 0.784 396 G HN 0.505 nan 8.290 nan 0.000 0.535 397 D N -0.262 120.035 120.400 -0.172 0.000 2.183 397 D HA -0.054 4.586 4.640 -0.000 0.000 0.203 397 D C 1.991 177.985 176.300 -0.511 0.000 0.969 397 D CA 0.923 54.803 54.000 -0.200 0.000 0.842 397 D CB -0.190 40.616 40.800 0.009 0.000 0.957 397 D HN 0.411 nan 8.370 nan 0.000 0.484 398 H N 0.725 119.237 119.070 -0.930 0.000 2.436 398 H HA 0.103 4.659 4.556 -0.000 0.000 0.294 398 H C 1.229 176.183 175.328 -0.623 0.000 1.048 398 H CA 1.186 56.569 56.048 -1.108 0.000 1.353 398 H CB 0.267 29.197 29.762 -1.388 0.000 1.414 398 H HN -0.029 nan 8.280 nan 0.000 0.536 399 N N -0.796 117.467 118.700 -0.729 0.000 2.250 399 N HA 0.066 4.806 4.740 -0.000 0.000 0.190 399 N C 0.570 175.890 175.510 -0.317 0.000 1.116 399 N CA 0.723 53.322 53.050 -0.751 0.000 0.881 399 N CB 1.850 39.228 38.487 -1.849 0.000 1.006 399 N HN 0.227 nan 8.380 nan 0.000 0.491 400 V N 0.269 120.029 119.914 -0.257 0.000 3.658 400 V HA 0.170 4.290 4.120 -0.000 0.000 0.197 400 V C 1.998 178.072 176.094 -0.033 0.000 1.295 400 V CA -0.101 62.173 62.300 -0.042 0.000 1.298 400 V CB 0.108 31.958 31.823 0.044 0.000 1.347 400 V HN -0.103 nan 8.190 nan 0.000 0.548 401 I N 0.835 121.388 120.570 -0.027 0.000 2.045 401 I HA -0.308 3.862 4.170 -0.000 0.000 0.233 401 I C 2.621 178.730 176.117 -0.013 0.000 1.048 401 I CA 2.219 63.520 61.300 0.001 0.000 1.313 401 I CB -0.547 37.477 38.000 0.041 0.000 1.043 401 I HN 0.398 nan 8.210 nan 0.000 0.393 402 c N 0.730 119.323 118.600 -0.011 0.000 2.413 402 c HA -0.084 4.486 4.570 -0.000 0.000 0.277 402 c C 0.231 174.344 174.090 0.040 0.000 1.265 402 c CA 0.901 57.260 56.329 0.050 0.000 1.752 402 c CB -2.000 40.584 42.510 0.124 0.000 1.998 402 c HN 0.403 nan 8.230 nan 0.000 0.489 403 P HA -0.075 nan 4.420 nan 0.000 0.218 403 P C 1.676 178.988 177.300 0.020 0.000 1.149 403 P CA 1.053 64.125 63.100 -0.046 0.000 0.817 403 P CB -0.155 31.434 31.700 -0.185 0.000 0.785 404 L N -2.070 119.149 121.223 -0.006 0.000 2.179 404 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 404 L C 1.950 178.850 176.870 0.050 0.000 1.096 404 L CA 1.204 56.051 54.840 0.012 0.000 0.779 404 L CB -0.412 41.627 42.059 -0.035 0.000 0.922 404 L HN -0.117 nan 8.230 nan 0.000 0.443 405 M N -1.035 118.584 119.600 0.031 0.000 2.229 405 M HA -0.185 4.295 4.480 -0.000 0.000 0.264 405 M C 2.185 178.532 176.300 0.078 0.000 1.063 405 M CA 1.483 56.790 55.300 0.012 0.000 1.114 405 M CB -1.480 31.143 32.600 0.040 0.000 1.387 405 M HN 0.399 nan 8.290 nan 0.000 0.420 406 H N 0.060 119.158 119.070 0.045 0.000 2.326 406 H HA -0.164 4.392 4.556 -0.000 0.000 0.301 406 H C 1.820 177.192 175.328 0.075 0.000 1.081 406 H CA 1.920 58.005 56.048 0.063 0.000 1.334 406 H CB -0.366 29.433 29.762 0.063 0.000 1.385 406 H HN 0.210 nan 8.280 nan 0.000 0.504 407 F N 0.308 120.200 119.950 -0.098 0.000 2.046 407 F HA -0.225 4.302 4.527 -0.000 0.000 0.297 407 F C 2.618 178.324 175.800 -0.156 0.000 1.123 407 F CA 1.756 59.657 58.000 -0.165 0.000 1.199 407 F CB -1.131 37.782 39.000 -0.146 0.000 0.972 407 F HN 0.142 nan 8.300 nan 0.000 0.474 408 V N 1.278 121.065 119.914 -0.211 0.000 2.332 408 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 408 V C 2.174 178.133 176.094 -0.226 0.000 1.055 408 V CA 2.647 64.736 62.300 -0.352 0.000 1.038 408 V CB -0.705 30.806 31.823 -0.521 0.000 0.651 408 V HN 0.467 nan 8.190 nan 0.000 0.450 409 N N 0.243 118.866 118.700 -0.129 0.000 2.104 409 N HA -0.137 4.603 4.740 -0.000 0.000 0.190 409 N C 1.786 177.230 175.510 -0.110 0.000 1.024 409 N CA 1.507 54.549 53.050 -0.014 0.000 0.853 409 N CB -0.371 38.128 38.487 0.021 0.000 1.008 409 N HN 0.476 nan 8.380 nan 0.000 0.424 410 K N 0.316 120.581 120.400 -0.225 0.000 2.021 410 K HA -0.049 4.271 4.320 -0.000 0.000 0.205 410 K C 2.043 178.557 176.600 -0.143 0.000 1.047 410 K CA 0.535 56.706 56.287 -0.193 0.000 0.943 410 K CB -1.004 31.364 32.500 -0.221 0.000 0.725 410 K HN 0.221 nan 8.250 nan 0.000 0.439 411 Y N 2.757 122.795 120.300 -0.438 0.000 2.081 411 Y HA -0.296 4.254 4.550 -0.000 0.000 0.280 411 Y C 2.311 178.143 175.900 -0.114 0.000 1.163 411 Y CA 2.380 60.238 58.100 -0.403 0.000 1.135 411 Y CB -0.695 37.230 38.460 -0.892 0.000 0.970 411 Y HN 0.094 nan 8.280 nan 0.000 0.498 412 T N -0.332 114.203 114.554 -0.032 0.000 2.760 412 T HA -0.256 4.094 4.350 -0.000 0.000 0.269 412 T C 1.915 176.537 174.700 -0.131 0.000 1.047 412 T CA 1.830 63.929 62.100 -0.002 0.000 1.139 412 T CB -0.333 68.620 68.868 0.142 0.000 0.855 412 T HN 0.197 nan 8.240 nan 0.000 0.471 413 K N 0.342 120.578 120.400 -0.274 0.000 2.211 413 K HA -0.012 4.308 4.320 -0.000 0.000 0.204 413 K C 1.493 177.688 176.600 -0.676 0.000 1.047 413 K CA 0.943 56.904 56.287 -0.543 0.000 0.935 413 K CB -0.447 31.549 32.500 -0.840 0.000 0.728 413 K HN 0.638 nan 8.250 nan 0.000 0.452 414 F N -1.245 118.644 119.950 -0.102 0.000 2.817 414 F HA 0.388 4.915 4.527 -0.000 0.000 0.333 414 F C 1.471 177.144 175.800 -0.212 0.000 1.085 414 F CA -0.892 57.016 58.000 -0.153 0.000 1.170 414 F CB -0.312 38.562 39.000 -0.210 0.000 1.066 414 F HN 0.109 nan 8.300 nan 0.000 0.564 415 G N 0.127 108.820 108.800 -0.180 0.000 2.684 415 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.255 415 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.255 415 G C 0.413 175.315 174.900 0.004 0.000 1.219 415 G CA -0.308 44.658 45.100 -0.223 0.000 0.901 415 G HN 0.366 nan 8.290 nan 0.000 0.548 416 N N -0.660 118.099 118.700 0.097 0.000 2.234 416 N HA 0.339 5.079 4.740 -0.000 0.000 0.227 416 N C 0.318 175.903 175.510 0.125 0.000 1.151 416 N CA 0.320 53.426 53.050 0.094 0.000 0.865 416 N CB 0.252 38.794 38.487 0.092 0.000 1.066 416 N HN 0.886 nan 8.380 nan 0.000 0.515 417 G N 0.403 109.292 108.800 0.148 0.000 2.350 417 G HA2 0.005 3.965 3.960 -0.000 0.000 0.274 417 G HA3 0.005 3.965 3.960 -0.000 0.000 0.274 417 G C -1.216 173.774 174.900 0.151 0.000 1.621 417 G CA -0.811 44.361 45.100 0.120 0.000 0.935 417 G HN 0.003 nan 8.290 nan 0.000 0.694 418 T N 1.364 115.889 114.554 -0.049 0.000 2.886 418 T HA 0.672 5.022 4.350 -0.000 0.000 0.292 418 T C -1.378 173.129 174.700 -0.322 0.000 1.012 418 T CA -0.390 61.691 62.100 -0.032 0.000 0.982 418 T CB 1.455 70.363 68.868 0.066 0.000 1.018 418 T HN 0.461 nan 8.240 nan 0.000 0.451 419 Y N 2.129 122.365 120.300 -0.107 0.000 2.349 419 Y HA 0.591 5.140 4.550 -0.000 0.000 0.324 419 Y C -0.539 175.394 175.900 0.054 0.000 1.005 419 Y CA -1.074 56.902 58.100 -0.205 0.000 1.240 419 Y CB 1.313 39.234 38.460 -0.897 0.000 1.117 419 Y HN 0.435 nan 8.280 nan 0.000 0.463 420 L N 6.034 127.544 121.223 0.477 0.000 2.309 420 L HA 0.602 4.942 4.340 -0.000 0.000 0.282 420 L C -0.967 176.348 176.870 0.742 0.000 1.036 420 L CA -0.918 54.156 54.840 0.389 0.000 0.806 420 L CB 0.376 42.488 42.059 0.087 0.000 1.220 420 L HN 0.518 nan 8.230 nan 0.000 0.429 421 Y N 3.371 123.996 120.300 0.543 0.000 2.662 421 Y HA 0.779 5.329 4.550 -0.000 0.000 0.335 421 Y C -1.667 174.524 175.900 0.485 0.000 1.066 421 Y CA -2.052 56.337 58.100 0.482 0.000 1.116 421 Y CB 1.226 39.958 38.460 0.452 0.000 1.308 421 Y HN 0.511 nan 8.280 nan 0.000 0.502 422 F N 2.799 123.113 119.950 0.607 0.000 2.941 422 F HA 0.398 4.925 4.527 -0.000 0.000 0.359 422 F C -2.075 174.035 175.800 0.516 0.000 1.231 422 F CA -1.870 56.404 58.000 0.456 0.000 1.089 422 F CB 0.722 39.958 39.000 0.392 0.000 1.407 422 F HN 0.547 nan 8.300 nan 0.000 0.538 423 F N 8.012 128.013 119.950 0.085 0.000 2.466 423 F HA 0.282 4.809 4.527 -0.000 0.000 0.363 423 F C 0.522 176.094 175.800 -0.380 0.000 1.109 423 F CA 0.011 57.979 58.000 -0.053 0.000 1.161 423 F CB 0.529 39.589 39.000 0.100 0.000 1.117 423 F HN 0.545 nan 8.300 nan 0.000 0.539 424 N N 4.197 122.485 118.700 -0.685 0.000 2.571 424 N HA 0.063 4.803 4.740 -0.000 0.000 0.298 424 N C -1.139 174.125 175.510 -0.410 0.000 1.671 424 N CA -0.437 52.318 53.050 -0.493 0.000 0.900 424 N CB -0.315 38.017 38.487 -0.258 0.000 1.365 424 N HN 0.616 nan 8.380 nan 0.000 0.493 425 H N 0.730 119.275 119.070 -0.875 0.000 2.499 425 H HA 0.606 5.162 4.556 -0.000 0.000 0.340 425 H C -0.799 174.394 175.328 -0.224 0.000 1.148 425 H CA -0.581 55.114 56.048 -0.588 0.000 1.215 425 H CB 1.548 30.802 29.762 -0.847 0.000 1.529 425 H HN 0.147 nan 8.280 nan 0.000 0.510 426 R N 3.344 123.336 120.500 -0.848 0.000 2.288 426 R HA 0.598 4.938 4.340 -0.000 0.000 0.326 426 R C -1.095 174.877 176.300 -0.546 0.000 0.959 426 R CA -0.444 55.380 56.100 -0.459 0.000 0.834 426 R CB 0.458 30.614 30.300 -0.241 0.000 1.157 426 R HN 0.762 nan 8.270 nan 0.000 0.470 427 A N 3.238 126.006 122.820 -0.086 0.000 2.546 427 A HA 0.103 4.422 4.320 -0.000 0.000 0.243 427 A C 1.268 178.890 177.584 0.063 0.000 1.063 427 A CA 0.591 52.739 52.037 0.187 0.000 0.757 427 A CB 0.032 19.242 19.000 0.350 0.000 0.991 427 A HN 1.079 nan 8.150 nan 0.000 0.503 428 S N 1.918 117.683 115.700 0.108 0.000 2.400 428 S HA -0.229 4.241 4.470 -0.000 0.000 0.232 428 S C 0.864 175.448 174.600 -0.027 0.000 1.025 428 S CA 1.468 59.691 58.200 0.039 0.000 0.993 428 S CB -0.552 62.691 63.200 0.071 0.000 0.808 428 S HN 1.031 nan 8.310 nan 0.000 0.478 429 N N 0.356 119.005 118.700 -0.084 0.000 2.389 429 N HA 0.340 5.080 4.740 -0.000 0.000 0.260 429 N C -0.435 175.019 175.510 -0.094 0.000 1.191 429 N CA -0.585 52.390 53.050 -0.125 0.000 0.885 429 N CB -0.111 38.237 38.487 -0.232 0.000 1.162 429 N HN 0.311 nan 8.380 nan 0.000 0.512 430 L N 1.143 122.351 121.223 -0.025 0.000 2.490 430 L HA 0.046 4.386 4.340 -0.000 0.000 0.274 430 L C 1.260 178.107 176.870 -0.038 0.000 1.201 430 L CA 0.091 54.942 54.840 0.018 0.000 0.869 430 L CB 0.949 43.043 42.059 0.058 0.000 1.123 430 L HN 0.304 nan 8.230 nan 0.000 0.484 431 V N 1.192 121.036 119.914 -0.116 0.000 3.306 431 V HA 0.087 4.207 4.120 -0.000 0.000 0.264 431 V C 0.411 176.410 176.094 -0.158 0.000 1.149 431 V CA -0.219 61.941 62.300 -0.233 0.000 1.143 431 V CB -1.324 30.147 31.823 -0.587 0.000 0.767 431 V HN 0.667 nan 8.190 nan 0.000 0.476 432 W N 1.398 122.675 121.300 -0.037 0.000 2.375 432 W HA 0.589 5.249 4.660 -0.000 0.000 0.336 432 W C -2.036 174.382 176.519 -0.169 0.000 1.160 432 W CA -2.722 54.557 57.345 -0.111 0.000 1.266 432 W CB 0.044 29.341 29.460 -0.272 0.000 1.195 432 W HN -0.114 nan 8.180 nan 0.000 0.599 433 P HA -0.097 nan 4.420 nan 0.000 0.270 433 P C 0.426 177.647 177.300 -0.131 0.000 1.223 433 P CA 0.280 63.376 63.100 -0.008 0.000 0.785 433 P CB 1.205 32.998 31.700 0.156 0.000 0.923 434 E N 2.978 123.180 120.200 0.003 0.000 2.058 434 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 434 E C 1.787 178.390 176.600 0.004 0.000 0.997 434 E CA 1.764 58.170 56.400 0.011 0.000 0.801 434 E CB -1.020 28.727 29.700 0.080 0.000 0.746 434 E HN 0.616 nan 8.360 nan 0.000 0.450 435 W N 0.164 121.504 121.300 0.066 0.000 2.389 435 W HA -0.178 4.482 4.660 -0.000 0.000 0.267 435 W C 1.231 177.805 176.519 0.091 0.000 1.219 435 W CA 0.796 58.190 57.345 0.082 0.000 1.189 435 W CB -0.975 28.544 29.460 0.098 0.000 1.129 435 W HN 0.118 nan 8.180 nan 0.000 0.581 436 M N 1.196 120.366 119.600 -0.717 0.000 2.558 436 M HA 0.166 4.646 4.480 -0.000 0.000 0.255 436 M C 1.751 177.911 176.300 -0.234 0.000 1.113 436 M CA 1.240 56.123 55.300 -0.695 0.000 1.097 436 M CB -0.652 31.381 32.600 -0.944 0.000 1.426 436 M HN 0.103 nan 8.290 nan 0.000 0.488 437 G N 0.812 109.541 108.800 -0.118 0.000 2.582 437 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.288 437 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.288 437 G C -0.188 174.701 174.900 -0.018 0.000 1.247 437 G CA -0.303 44.783 45.100 -0.024 0.000 0.972 437 G HN 0.200 nan 8.290 nan 0.000 0.557 438 V N 1.821 121.760 119.914 0.041 0.000 2.381 438 V HA 0.313 4.433 4.120 -0.000 0.000 0.257 438 V C 1.155 177.339 176.094 0.151 0.000 1.057 438 V CA 0.203 62.570 62.300 0.111 0.000 1.013 438 V CB -0.057 31.834 31.823 0.115 0.000 1.069 438 V HN 0.514 nan 8.190 nan 0.000 0.484 439 I N 3.798 124.449 120.570 0.134 0.000 2.638 439 I HA 0.136 4.306 4.170 -0.000 0.000 0.286 439 I C 0.809 177.132 176.117 0.344 0.000 1.088 439 I CA -0.524 60.871 61.300 0.158 0.000 1.397 439 I CB 0.269 38.212 38.000 -0.095 0.000 1.414 439 I HN 0.566 nan 8.210 nan 0.000 0.566 440 H N 4.536 123.741 119.070 0.225 0.000 3.145 440 H HA 0.164 4.720 4.556 -0.000 0.000 0.288 440 H C 0.988 176.381 175.328 0.109 0.000 0.969 440 H CA 1.024 57.175 56.048 0.172 0.000 1.444 440 H CB 0.065 29.937 29.762 0.183 0.000 1.500 440 H HN 0.769 nan 8.280 nan 0.000 0.552 441 G N 3.965 112.649 108.800 -0.194 0.000 2.241 441 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.244 441 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.244 441 G C 0.295 175.171 174.900 -0.041 0.000 0.998 441 G CA 0.275 45.228 45.100 -0.244 0.000 0.621 441 G HN 0.611 nan 8.290 nan 0.000 0.519 442 Y N 2.130 122.506 120.300 0.125 0.000 2.976 442 Y HA 0.390 4.940 4.550 -0.000 0.000 0.389 442 Y C 1.749 177.713 175.900 0.107 0.000 1.072 442 Y CA 0.632 58.866 58.100 0.223 0.000 1.809 442 Y CB 0.238 38.869 38.460 0.287 0.000 1.736 442 Y HN 0.526 nan 8.280 nan 0.000 0.471 443 E N -1.574 118.584 120.200 -0.071 0.000 2.576 443 E HA 0.030 4.380 4.350 -0.000 0.000 0.214 443 E C 1.406 177.946 176.600 -0.100 0.000 0.859 443 E CA 0.294 56.380 56.400 -0.524 0.000 1.399 443 E CB -0.708 28.094 29.700 -1.497 0.000 1.374 443 E HN 0.525 nan 8.360 nan 0.000 0.718 444 I N 3.117 123.703 120.570 0.027 0.000 2.194 444 I HA -0.334 3.836 4.170 -0.000 0.000 0.246 444 I C 2.647 178.846 176.117 0.136 0.000 1.093 444 I CA 2.395 63.776 61.300 0.134 0.000 1.355 444 I CB -0.455 37.636 38.000 0.152 0.000 1.046 444 I HN 0.260 nan 8.210 nan 0.000 0.413 445 E N 1.066 121.306 120.200 0.067 0.000 2.118 445 E HA -0.248 4.102 4.350 -0.000 0.000 0.195 445 E C 2.090 178.617 176.600 -0.121 0.000 0.992 445 E CA 1.512 57.880 56.400 -0.055 0.000 0.804 445 E CB -0.621 29.045 29.700 -0.056 0.000 0.741 445 E HN 0.407 nan 8.360 nan 0.000 0.458 446 F N 1.371 121.262 119.950 -0.100 0.000 2.186 446 F HA -0.088 4.438 4.527 -0.000 0.000 0.299 446 F C 2.396 178.060 175.800 -0.226 0.000 1.090 446 F CA 0.784 58.690 58.000 -0.156 0.000 1.307 446 F CB -0.321 38.639 39.000 -0.067 0.000 1.019 446 F HN -0.113 nan 8.300 nan 0.000 0.489 447 V N -1.334 118.560 119.914 -0.033 0.000 2.427 447 V HA -0.253 3.866 4.120 -0.000 0.000 0.248 447 V C 1.225 177.182 176.094 -0.229 0.000 1.051 447 V CA 1.375 63.535 62.300 -0.234 0.000 1.048 447 V CB -0.678 31.089 31.823 -0.094 0.000 0.666 447 V HN 0.162 nan 8.190 nan 0.000 0.456 448 F N 0.743 120.569 119.950 -0.206 0.000 2.798 448 F HA 0.490 5.016 4.527 -0.000 0.000 0.291 448 F C 1.703 177.318 175.800 -0.309 0.000 1.174 448 F CA 0.071 57.947 58.000 -0.206 0.000 1.392 448 F CB -0.388 38.477 39.000 -0.226 0.000 0.966 448 F HN 0.212 nan 8.300 nan 0.000 0.509 449 G N 0.210 108.888 108.800 -0.203 0.000 2.244 449 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.274 449 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.274 449 G C 1.383 175.928 174.900 -0.591 0.000 1.002 449 G CA 0.527 45.453 45.100 -0.289 0.000 0.740 449 G HN 0.349 nan 8.290 nan 0.000 0.516 450 L N 0.093 120.893 121.223 -0.705 0.000 2.042 450 L HA -0.076 4.264 4.340 -0.000 0.000 0.210 450 L C 0.502 176.790 176.870 -0.970 0.000 1.076 450 L CA 2.804 57.159 54.840 -0.809 0.000 0.749 450 L CB -1.918 39.810 42.059 -0.552 0.000 0.893 450 L HN 0.210 nan 8.230 nan 0.000 0.432 451 P HA -0.132 nan 4.420 nan 0.000 0.219 451 P C 1.898 178.768 177.300 -0.717 0.000 1.146 451 P CA 0.790 62.897 63.100 -1.656 0.000 0.808 451 P CB 0.142 31.033 31.700 -1.348 0.000 0.779 452 L N -0.815 120.132 121.223 -0.460 0.000 1.994 452 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 452 L C 1.321 178.114 176.870 -0.128 0.000 1.071 452 L CA 1.351 56.065 54.840 -0.210 0.000 0.745 452 L CB -1.384 40.615 42.059 -0.100 0.000 0.892 452 L HN -0.132 nan 8.230 nan 0.000 0.431 453 V N 1.500 121.347 119.914 -0.111 0.000 2.442 453 V HA 0.030 4.150 4.120 -0.000 0.000 0.272 453 V C 1.684 177.771 176.094 -0.010 0.000 0.989 453 V CA 0.628 62.916 62.300 -0.020 0.000 1.123 453 V CB 0.262 32.114 31.823 0.048 0.000 1.008 453 V HN 0.498 nan 8.190 nan 0.000 0.469 454 K N 5.533 125.934 120.400 0.001 0.000 2.160 454 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 454 K C 1.419 178.042 176.600 0.037 0.000 1.047 454 K CA 1.766 58.068 56.287 0.025 0.000 0.930 454 K CB -0.521 31.985 32.500 0.010 0.000 0.720 454 K HN 1.003 nan 8.250 nan 0.000 0.450 455 E N 0.364 120.576 120.200 0.020 0.000 2.461 455 E HA -0.008 4.342 4.350 -0.000 0.000 0.196 455 E C 0.634 177.239 176.600 0.007 0.000 1.129 455 E CA 0.326 56.730 56.400 0.008 0.000 0.902 455 E CB -0.345 29.352 29.700 -0.004 0.000 0.963 455 E HN 0.608 nan 8.360 nan 0.000 0.503 456 L N 0.401 121.654 121.223 0.049 0.000 3.066 456 L HA 0.224 4.564 4.340 -0.000 0.000 0.265 456 L C -0.234 176.578 176.870 -0.098 0.000 1.232 456 L CA -0.336 54.519 54.840 0.025 0.000 1.031 456 L CB -0.543 41.620 42.059 0.173 0.000 1.379 456 L HN 0.067 nan 8.230 nan 0.000 0.563 457 N N -0.480 118.190 118.700 -0.051 0.000 2.727 457 N HA -0.235 4.505 4.740 -0.000 0.000 0.249 457 N C -0.669 174.752 175.510 -0.148 0.000 1.048 457 N CA 0.364 53.355 53.050 -0.098 0.000 0.714 457 N CB -0.927 37.476 38.487 -0.141 0.000 0.959 457 N HN 0.299 nan 8.380 nan 0.000 0.544 458 Y N 0.243 120.518 120.300 -0.042 0.000 2.432 458 Y HA 0.330 4.880 4.550 -0.000 0.000 0.322 458 Y C 1.675 177.575 175.900 0.001 0.000 1.246 458 Y CA -0.202 57.884 58.100 -0.024 0.000 1.268 458 Y CB 0.792 39.201 38.460 -0.085 0.000 1.276 458 Y HN 0.029 nan 8.280 nan 0.000 0.499 459 T N -2.168 112.513 114.554 0.212 0.000 2.833 459 T HA 0.539 4.889 4.350 -0.000 0.000 0.292 459 T C 1.125 175.888 174.700 0.105 0.000 1.031 459 T CA -0.144 62.034 62.100 0.130 0.000 0.937 459 T CB 0.765 69.710 68.868 0.128 0.000 1.256 459 T HN 0.686 nan 8.240 nan 0.000 0.551 460 A N 0.718 123.580 122.820 0.070 0.000 1.855 460 A HA -0.001 4.319 4.320 -0.000 0.000 0.213 460 A C 2.354 179.962 177.584 0.040 0.000 1.195 460 A CA 1.098 53.161 52.037 0.043 0.000 0.610 460 A CB -0.884 18.134 19.000 0.030 0.000 0.837 460 A HN 0.931 nan 8.150 nan 0.000 0.444 461 E N 0.872 121.101 120.200 0.048 0.000 2.110 461 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 461 E C 1.499 178.126 176.600 0.044 0.000 0.988 461 E CA 1.478 57.898 56.400 0.033 0.000 0.804 461 E CB -0.689 29.028 29.700 0.029 0.000 0.745 461 E HN 0.771 nan 8.360 nan 0.000 0.458 462 E N 0.975 121.243 120.200 0.113 0.000 2.106 462 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 462 E C 2.120 178.810 176.600 0.150 0.000 0.984 462 E CA 0.983 57.524 56.400 0.235 0.000 0.806 462 E CB -0.061 29.899 29.700 0.434 0.000 0.750 462 E HN 0.432 nan 8.360 nan 0.000 0.458 463 E N 0.715 120.931 120.200 0.026 0.000 2.072 463 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 463 E C 2.003 178.574 176.600 -0.048 0.000 0.985 463 E CA 0.934 57.283 56.400 -0.086 0.000 0.801 463 E CB -0.034 29.627 29.700 -0.066 0.000 0.750 463 E HN 0.204 nan 8.360 nan 0.000 0.452 464 A N 0.912 123.724 122.820 -0.014 0.000 2.015 464 A HA -0.125 4.194 4.320 -0.000 0.000 0.219 464 A C 2.059 179.635 177.584 -0.014 0.000 1.163 464 A CA 0.893 52.915 52.037 -0.025 0.000 0.646 464 A CB -0.435 18.553 19.000 -0.020 0.000 0.806 464 A HN 0.379 nan 8.150 nan 0.000 0.448 465 L N -0.626 120.618 121.223 0.035 0.000 2.291 465 L HA -0.003 4.337 4.340 -0.000 0.000 0.214 465 L C 2.420 179.372 176.870 0.138 0.000 1.120 465 L CA 2.157 57.028 54.840 0.052 0.000 0.799 465 L CB -0.507 41.551 42.059 -0.001 0.000 0.925 465 L HN 0.321 nan 8.230 nan 0.000 0.446 466 S N -0.596 115.189 115.700 0.141 0.000 2.371 466 S HA -0.076 4.394 4.470 -0.000 0.000 0.221 466 S C 2.102 176.660 174.600 -0.071 0.000 1.036 466 S CA 0.627 58.852 58.200 0.041 0.000 0.965 466 S CB -0.135 62.967 63.200 -0.163 0.000 0.845 466 S HN 0.518 nan 8.310 nan 0.000 0.475 467 R N 1.028 121.480 120.500 -0.081 0.000 2.193 467 R HA -0.049 4.291 4.340 -0.000 0.000 0.229 467 R C 2.543 178.771 176.300 -0.119 0.000 1.110 467 R CA 1.447 57.491 56.100 -0.094 0.000 0.988 467 R CB -0.240 30.004 30.300 -0.094 0.000 0.871 467 R HN 0.588 nan 8.270 nan 0.000 0.458 468 R N 0.401 120.814 120.500 -0.144 0.000 2.066 468 R HA 0.033 4.373 4.340 -0.000 0.000 0.224 468 R C 2.019 178.112 176.300 -0.344 0.000 1.122 468 R CA 0.941 56.868 56.100 -0.287 0.000 0.974 468 R CB -0.531 29.643 30.300 -0.210 0.000 0.871 468 R HN 0.113 nan 8.270 nan 0.000 0.435 469 I N 1.542 122.017 120.570 -0.158 0.000 2.179 469 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 469 I C 2.668 178.619 176.117 -0.276 0.000 1.088 469 I CA 1.570 62.734 61.300 -0.227 0.000 1.357 469 I CB -0.286 37.412 38.000 -0.503 0.000 1.051 469 I HN 0.158 nan 8.210 nan 0.000 0.409 470 M N -0.520 118.932 119.600 -0.247 0.000 2.202 470 M HA -0.253 4.227 4.480 -0.000 0.000 0.262 470 M C 2.386 178.711 176.300 0.042 0.000 1.063 470 M CA 1.737 56.951 55.300 -0.144 0.000 1.097 470 M CB -0.763 31.765 32.600 -0.120 0.000 1.382 470 M HN 0.283 nan 8.290 nan 0.000 0.413 471 H N -0.342 118.677 119.070 -0.085 0.000 2.395 471 H HA -0.119 4.437 4.556 -0.000 0.000 0.299 471 H C 1.544 176.929 175.328 0.096 0.000 1.070 471 H CA 1.847 57.861 56.048 -0.056 0.000 1.356 471 H CB 0.007 29.662 29.762 -0.178 0.000 1.401 471 H HN 0.272 nan 8.280 nan 0.000 0.524 472 Y N -0.990 119.466 120.300 0.260 0.000 2.200 472 Y HA -0.216 4.334 4.550 -0.000 0.000 0.290 472 Y C 2.521 178.646 175.900 0.375 0.000 1.137 472 Y CA 0.965 59.272 58.100 0.345 0.000 1.163 472 Y CB -0.986 37.877 38.460 0.671 0.000 0.988 472 Y HN 0.346 nan 8.280 nan 0.000 0.518 473 W N -0.299 121.084 121.300 0.138 0.000 2.333 473 W HA -0.250 4.410 4.660 -0.000 0.000 0.316 473 W C 2.635 179.152 176.519 -0.003 0.000 1.215 473 W CA 1.062 58.423 57.345 0.027 0.000 1.278 473 W CB -0.583 28.828 29.460 -0.081 0.000 1.154 473 W HN 0.060 nan 8.180 nan 0.000 0.486 474 A N 0.319 123.254 122.820 0.191 0.000 1.858 474 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 474 A C 1.787 179.358 177.584 -0.022 0.000 1.190 474 A CA 2.566 54.626 52.037 0.039 0.000 0.617 474 A CB -1.397 17.606 19.000 0.006 0.000 0.827 474 A HN 0.235 nan 8.150 nan 0.000 0.443 475 T N -0.645 113.853 114.554 -0.093 0.000 2.803 475 T HA -0.155 4.195 4.350 -0.000 0.000 0.269 475 T C 1.553 176.213 174.700 -0.066 0.000 1.052 475 T CA 1.612 63.633 62.100 -0.133 0.000 1.136 475 T CB -0.403 68.325 68.868 -0.232 0.000 0.864 475 T HN 0.492 nan 8.240 nan 0.000 0.467 476 F N 2.388 122.248 119.950 -0.150 0.000 2.084 476 F HA 0.053 4.580 4.527 -0.000 0.000 0.296 476 F C 2.473 178.183 175.800 -0.150 0.000 1.111 476 F CA 0.980 58.850 58.000 -0.218 0.000 1.224 476 F CB -0.890 37.927 39.000 -0.305 0.000 0.991 476 F HN 0.137 nan 8.300 nan 0.000 0.471 477 A N 0.199 122.896 122.820 -0.205 0.000 2.032 477 A HA -0.239 4.081 4.320 -0.000 0.000 0.221 477 A C 2.215 179.656 177.584 -0.239 0.000 1.165 477 A CA 2.048 53.936 52.037 -0.249 0.000 0.645 477 A CB -0.739 18.218 19.000 -0.073 0.000 0.807 477 A HN 0.543 nan 8.150 nan 0.000 0.453 478 K N -1.345 118.943 120.400 -0.187 0.000 2.007 478 K HA -0.062 4.258 4.320 -0.000 0.000 0.206 478 K C 1.893 178.395 176.600 -0.163 0.000 1.047 478 K CA 1.746 57.949 56.287 -0.139 0.000 0.937 478 K CB -0.128 32.315 32.500 -0.096 0.000 0.718 478 K HN 0.655 nan 8.250 nan 0.000 0.438 479 T N -3.932 110.503 114.554 -0.198 0.000 3.040 479 T HA 0.243 4.593 4.350 -0.000 0.000 0.266 479 T C 1.028 175.593 174.700 -0.224 0.000 1.005 479 T CA 0.263 62.264 62.100 -0.165 0.000 0.906 479 T CB 1.030 69.841 68.868 -0.096 0.000 1.082 479 T HN 0.315 nan 8.240 nan 0.000 0.531 480 G N 1.726 110.251 108.800 -0.459 0.000 2.176 480 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.252 480 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.252 480 G C -0.190 174.616 174.900 -0.157 0.000 1.024 480 G CA 0.081 44.843 45.100 -0.563 0.000 0.755 480 G HN 0.843 nan 8.290 nan 0.000 0.507 481 N N -0.498 118.097 118.700 -0.175 0.000 2.572 481 N HA 0.311 5.051 4.740 -0.000 0.000 0.287 481 N C -1.622 173.749 175.510 -0.232 0.000 1.136 481 N CA -1.097 51.828 53.050 -0.209 0.000 0.900 481 N CB 2.122 40.594 38.487 -0.026 0.000 1.484 481 N HN -0.046 nan 8.380 nan 0.000 0.526 482 P HA -0.075 nan 4.420 nan 0.000 0.222 482 P C -0.391 176.961 177.300 0.086 0.000 1.147 482 P CA 0.805 63.816 63.100 -0.148 0.000 0.790 482 P CB 0.400 31.843 31.700 -0.429 0.000 0.780 483 N N 1.019 119.734 118.700 0.024 0.000 2.487 483 N HA 0.154 4.894 4.740 -0.000 0.000 0.292 483 N C -0.121 175.454 175.510 0.110 0.000 1.108 483 N CA -0.344 52.805 53.050 0.165 0.000 0.956 483 N CB 1.135 39.738 38.487 0.194 0.000 1.176 483 N HN 0.102 nan 8.380 nan 0.000 0.484 484 E N 2.053 122.336 120.200 0.139 0.000 1.993 484 E HA 0.154 4.504 4.350 -0.000 0.000 0.271 484 E C -2.059 174.600 176.600 0.100 0.000 1.008 484 E CA -1.648 54.814 56.400 0.103 0.000 0.814 484 E CB 0.764 30.538 29.700 0.122 0.000 1.098 484 E HN 0.281 nan 8.360 nan 0.000 0.407 485 P HA -0.092 nan 4.420 nan 0.000 0.257 485 P C 0.105 177.445 177.300 0.066 0.000 1.269 485 P CA 1.265 64.413 63.100 0.079 0.000 1.122 485 P CB -0.155 31.585 31.700 0.068 0.000 1.285 486 H N -1.447 117.666 119.070 0.071 0.000 1.809 486 H HA -0.016 4.540 4.556 -0.000 0.000 0.116 486 H C 0.423 175.787 175.328 0.061 0.000 0.825 486 H CA 0.157 56.240 56.048 0.059 0.000 0.418 486 H CB -1.460 nan 29.762 nan 0.000 0.342 486 H HN 0.549 nan 8.280 nan 0.000 0.214 487 S N -0.187 115.559 115.700 0.077 0.000 2.681 487 S HA 0.551 5.021 4.470 -0.000 0.000 0.270 487 S C 1.798 176.442 174.600 0.073 0.000 1.209 487 S CA 1.250 59.495 58.200 0.076 0.000 0.988 487 S CB 1.183 64.441 63.200 0.096 0.000 1.006 487 S HN 1.465 nan 8.310 nan 0.000 0.558 488 Q N 0.108 119.946 119.800 0.065 0.000 2.408 488 Q HA 0.215 4.555 4.340 -0.000 0.000 0.205 488 Q C 0.657 176.699 176.000 0.071 0.000 0.919 488 Q CA 0.506 56.344 55.803 0.059 0.000 0.932 488 Q CB -0.755 28.009 28.738 0.044 0.000 1.058 488 Q HN 0.754 nan 8.270 nan 0.000 0.517 489 E N 1.098 121.352 120.200 0.090 0.000 2.415 489 E HA 0.274 4.624 4.350 -0.000 0.000 0.262 489 E C -0.040 176.636 176.600 0.127 0.000 1.038 489 E CA -0.024 56.443 56.400 0.111 0.000 0.921 489 E CB 1.247 31.035 29.700 0.147 0.000 0.950 489 E HN 0.684 nan 8.360 nan 0.000 0.438 490 S N 2.099 117.870 115.700 0.118 0.000 2.558 490 S HA 0.055 4.525 4.470 -0.000 0.000 0.288 490 S C 0.391 175.086 174.600 0.159 0.000 1.318 490 S CA -0.062 58.204 58.200 0.110 0.000 1.056 490 S CB 0.197 63.444 63.200 0.077 0.000 0.853 490 S HN 0.310 nan 8.310 nan 0.000 0.505 491 K N 1.449 121.942 120.400 0.155 0.000 2.118 491 K HA 0.184 4.504 4.320 -0.000 0.000 0.264 491 K C -0.636 176.126 176.600 0.269 0.000 1.000 491 K CA -0.494 55.922 56.287 0.215 0.000 0.929 491 K CB 0.680 33.292 32.500 0.187 0.000 1.021 491 K HN 0.583 nan 8.250 nan 0.000 0.463 492 W N 6.505 127.871 121.300 0.110 0.000 2.295 492 W HA 0.214 4.874 4.660 -0.000 0.000 0.333 492 W C -2.523 174.143 176.519 0.245 0.000 0.990 492 W CA -2.973 54.447 57.345 0.125 0.000 1.453 492 W CB 0.090 29.573 29.460 0.038 0.000 1.263 492 W HN 0.396 nan 8.180 nan 0.000 0.380 493 P HA 0.019 nan 4.420 nan 0.000 0.272 493 P C 0.246 177.667 177.300 0.200 0.000 1.223 493 P CA 0.117 63.395 63.100 0.297 0.000 0.784 493 P CB 1.694 33.501 31.700 0.178 0.000 0.923 494 L N 1.772 122.957 121.223 -0.063 0.000 2.461 494 L HA 0.129 4.469 4.340 -0.000 0.000 0.259 494 L C 0.970 177.802 176.870 -0.064 0.000 1.248 494 L CA 0.040 54.662 54.840 -0.364 0.000 0.823 494 L CB -0.302 41.575 42.059 -0.303 0.000 1.111 494 L HN 0.333 nan 8.230 nan 0.000 0.516 495 F N 0.777 120.612 119.950 -0.191 0.000 2.347 495 F HA 0.345 4.872 4.527 -0.000 0.000 0.366 495 F C 0.515 176.287 175.800 -0.046 0.000 1.107 495 F CA -0.557 57.421 58.000 -0.036 0.000 1.058 495 F CB 0.740 39.749 39.000 0.015 0.000 1.236 495 F HN 0.544 nan 8.300 nan 0.000 0.456 496 T N 0.107 114.468 114.554 -0.322 0.000 2.923 496 T HA 0.362 4.712 4.350 -0.000 0.000 0.282 496 T C 1.133 175.635 174.700 -0.330 0.000 1.137 496 T CA 0.462 62.436 62.100 -0.210 0.000 0.958 496 T CB 0.975 69.754 68.868 -0.150 0.000 1.961 496 T HN 0.472 nan 8.240 nan 0.000 0.586 497 T N -2.236 112.202 114.554 -0.193 0.000 3.071 497 T HA 0.232 4.582 4.350 -0.000 0.000 0.239 497 T C 1.897 176.509 174.700 -0.147 0.000 0.997 497 T CA 0.283 62.291 62.100 -0.153 0.000 1.134 497 T CB -0.482 68.335 68.868 -0.084 0.000 0.928 497 T HN 0.551 nan 8.240 nan 0.000 0.453 498 K N 0.975 121.305 120.400 -0.117 0.000 2.211 498 K HA -0.066 4.254 4.320 -0.000 0.000 0.203 498 K C 1.694 178.234 176.600 -0.100 0.000 1.050 498 K CA 1.355 57.590 56.287 -0.087 0.000 0.945 498 K CB 0.124 32.586 32.500 -0.063 0.000 0.732 498 K HN 0.328 nan 8.250 nan 0.000 0.451 499 E N -0.023 120.086 120.200 -0.151 0.000 2.228 499 E HA 0.063 4.413 4.350 -0.000 0.000 0.197 499 E C -0.311 176.159 176.600 -0.218 0.000 0.909 499 E CA 0.127 56.441 56.400 -0.143 0.000 0.911 499 E CB 0.386 30.016 29.700 -0.116 0.000 0.887 499 E HN 0.149 nan 8.360 nan 0.000 0.481 500 Q N 0.579 120.090 119.800 -0.482 0.000 2.451 500 Q HA -0.223 4.117 4.340 -0.000 0.000 0.305 500 Q C -0.839 174.998 176.000 -0.272 0.000 1.345 500 Q CA 0.528 55.773 55.803 -0.929 0.000 0.854 500 Q CB -1.537 26.894 28.738 -0.513 0.000 1.162 500 Q HN 0.180 nan 8.270 nan 0.000 0.440 501 K N 0.431 120.767 120.400 -0.108 0.000 2.168 501 K HA 0.622 4.942 4.320 -0.000 0.000 0.258 501 K C 0.023 176.909 176.600 0.476 0.000 1.010 501 K CA 0.087 56.453 56.287 0.133 0.000 0.929 501 K CB 0.519 33.044 32.500 0.042 0.000 0.998 501 K HN 0.222 nan 8.250 nan 0.000 0.479 502 F N -0.978 119.128 119.950 0.260 0.000 2.719 502 F HA 0.489 5.016 4.527 -0.000 0.000 0.309 502 F C -0.871 174.995 175.800 0.110 0.000 1.138 502 F CA -1.453 56.737 58.000 0.316 0.000 0.943 502 F CB 0.553 39.766 39.000 0.355 0.000 1.304 502 F HN 0.438 nan 8.300 nan 0.000 0.445 503 I N -1.033 119.582 120.570 0.075 0.000 3.474 503 I HA 0.728 4.898 4.170 -0.000 0.000 0.294 503 I C -1.065 175.126 176.117 0.123 0.000 1.185 503 I CA -0.818 60.354 61.300 -0.213 0.000 1.003 503 I CB 1.726 39.330 38.000 -0.661 0.000 1.327 503 I HN 0.519 nan 8.210 nan 0.000 0.541 504 D N 1.520 121.933 120.400 0.021 0.000 2.433 504 D HA 0.551 5.191 4.640 -0.000 0.000 0.236 504 D C -1.212 175.109 176.300 0.034 0.000 1.026 504 D CA -0.175 53.947 54.000 0.204 0.000 0.884 504 D CB 2.797 43.730 40.800 0.221 0.000 1.384 504 D HN 0.211 nan 8.370 nan 0.000 0.477 505 L N 2.480 123.714 121.223 0.018 0.000 2.316 505 L HA 0.358 4.698 4.340 -0.000 0.000 0.280 505 L C -0.469 176.209 176.870 -0.320 0.000 1.006 505 L CA -0.387 54.391 54.840 -0.103 0.000 0.836 505 L CB 0.498 42.588 42.059 0.051 0.000 1.221 505 L HN 0.454 nan 8.230 nan 0.000 0.418 506 N N -1.311 117.244 118.700 -0.243 0.000 3.185 506 N HA 0.231 4.971 4.740 -0.000 0.000 0.238 506 N C -0.014 175.364 175.510 -0.219 0.000 1.451 506 N CA -0.416 52.469 53.050 -0.275 0.000 0.888 506 N CB 0.547 38.958 38.487 -0.127 0.000 1.413 506 N HN 0.154 nan 8.380 nan 0.000 0.511 507 T N -3.145 111.266 114.554 -0.239 0.000 3.509 507 T HA 0.204 4.554 4.350 -0.000 0.000 0.250 507 T C -0.328 174.343 174.700 -0.049 0.000 1.076 507 T CA 0.204 62.216 62.100 -0.147 0.000 0.966 507 T CB -0.911 67.879 68.868 -0.130 0.000 1.046 507 T HN 0.528 nan 8.240 nan 0.000 0.591 508 E N 1.045 121.223 120.200 -0.037 0.000 2.339 508 E HA 0.431 4.781 4.350 -0.000 0.000 0.262 508 E C -2.952 173.643 176.600 -0.008 0.000 0.934 508 E CA -3.134 53.261 56.400 -0.008 0.000 0.802 508 E CB 1.221 30.925 29.700 0.008 0.000 1.275 508 E HN 0.069 nan 8.360 nan 0.000 0.427 509 P HA -0.074 nan 4.420 nan 0.000 0.266 509 P C -0.559 176.733 177.300 -0.014 0.000 1.195 509 P CA 0.398 63.499 63.100 0.001 0.000 0.768 509 P CB 0.408 32.111 31.700 0.005 0.000 0.838 510 M N 3.425 123.016 119.600 -0.015 0.000 2.252 510 M HA 0.079 4.558 4.480 -0.000 0.000 0.333 510 M C -0.185 176.058 176.300 -0.094 0.000 1.111 510 M CA 1.069 56.336 55.300 -0.056 0.000 1.140 510 M CB 0.149 32.722 32.600 -0.044 0.000 1.538 510 M HN 0.230 nan 8.290 nan 0.000 0.448 511 K N 2.489 122.786 120.400 -0.173 0.000 2.444 511 K HA 0.696 5.016 4.320 -0.000 0.000 0.252 511 K C -1.735 174.608 176.600 -0.429 0.000 0.993 511 K CA -0.987 55.136 56.287 -0.274 0.000 0.847 511 K CB 2.592 34.905 32.500 -0.313 0.000 1.340 511 K HN 0.473 nan 8.250 nan 0.000 0.446 512 V N 2.975 122.609 119.914 -0.467 0.000 2.409 512 V HA 0.280 4.400 4.120 -0.000 0.000 0.290 512 V C -0.505 175.265 176.094 -0.539 0.000 1.017 512 V CA -0.888 61.132 62.300 -0.467 0.000 0.841 512 V CB 0.846 32.536 31.823 -0.221 0.000 1.003 512 V HN 0.695 nan 8.190 nan 0.000 0.426 513 H N 2.720 121.441 119.070 -0.581 0.000 2.760 513 H HA 0.696 5.252 4.556 -0.000 0.000 0.301 513 H C -0.586 174.442 175.328 -0.500 0.000 1.498 513 H CA -0.723 55.003 56.048 -0.537 0.000 1.525 513 H CB 1.359 30.766 29.762 -0.593 0.000 1.771 513 H HN 0.547 nan 8.280 nan 0.000 0.827 514 Q N 0.076 119.890 119.800 0.023 0.000 2.379 514 Q HA 0.319 4.659 4.340 -0.000 0.000 0.278 514 Q C -0.756 175.472 176.000 0.380 0.000 1.068 514 Q CA -0.817 55.107 55.803 0.202 0.000 0.816 514 Q CB 2.814 31.600 28.738 0.081 0.000 1.387 514 Q HN 0.505 nan 8.270 nan 0.000 0.413 515 R N 0.958 121.698 120.500 0.401 0.000 2.992 515 R HA -0.210 4.130 4.340 -0.000 0.000 0.263 515 R C -0.585 175.861 176.300 0.243 0.000 0.902 515 R CA -0.118 56.151 56.100 0.280 0.000 0.667 515 R CB -1.470 28.926 30.300 0.160 0.000 1.504 515 R HN 0.457 nan 8.270 nan 0.000 0.489 516 L N 3.005 124.298 121.223 0.117 0.000 2.654 516 L HA -0.000 4.340 4.340 -0.000 0.000 0.271 516 L C 0.676 177.501 176.870 -0.076 0.000 1.169 516 L CA 0.726 55.445 54.840 -0.202 0.000 0.947 516 L CB -0.120 41.493 42.059 -0.744 0.000 1.232 516 L HN 0.465 nan 8.230 nan 0.000 0.486 517 R N 2.288 122.768 120.500 -0.033 0.000 3.188 517 R HA -0.182 4.158 4.340 -0.000 0.000 0.247 517 R C 1.080 177.428 176.300 0.079 0.000 0.918 517 R CA 0.603 56.718 56.100 0.026 0.000 0.629 517 R CB -1.966 28.356 30.300 0.036 0.000 1.087 517 R HN 0.736 nan 8.270 nan 0.000 0.462 518 V N -2.835 117.127 119.914 0.078 0.000 2.379 518 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 518 V C 2.200 178.350 176.094 0.092 0.000 1.044 518 V CA 1.774 64.132 62.300 0.096 0.000 1.036 518 V CB -0.394 31.481 31.823 0.087 0.000 0.664 518 V HN 0.354 nan 8.190 nan 0.000 0.453 519 Q N -0.033 119.801 119.800 0.056 0.000 2.197 519 Q HA -0.173 4.167 4.340 -0.000 0.000 0.207 519 Q C 1.962 177.982 176.000 0.033 0.000 0.984 519 Q CA 2.222 58.037 55.803 0.019 0.000 0.869 519 Q CB -0.252 28.471 28.738 -0.025 0.000 0.906 519 Q HN 0.604 nan 8.270 nan 0.000 0.426 520 M N -2.344 117.317 119.600 0.103 0.000 2.567 520 M HA 0.070 4.550 4.480 -0.000 0.000 0.261 520 M C 1.967 178.531 176.300 0.440 0.000 1.180 520 M CA 0.310 55.738 55.300 0.212 0.000 1.143 520 M CB -0.689 32.071 32.600 0.268 0.000 1.319 520 M HN 0.217 nan 8.290 nan 0.000 0.490 521 c N 0.291 119.093 118.600 0.337 0.000 2.448 521 c HA 0.007 4.577 4.570 -0.000 0.000 0.280 521 c C 2.846 177.110 174.090 0.289 0.000 1.398 521 c CA 0.385 56.921 56.329 0.345 0.000 1.774 521 c CB -0.666 41.980 42.510 0.225 0.000 1.888 521 c HN 0.300 nan 8.230 nan 0.000 0.519 522 V N 0.170 120.222 119.914 0.230 0.000 2.548 522 V HA -0.172 3.947 4.120 -0.000 0.000 0.249 522 V C 1.983 178.207 176.094 0.217 0.000 1.055 522 V CA 1.810 64.222 62.300 0.186 0.000 1.065 522 V CB -0.745 31.158 31.823 0.132 0.000 0.681 522 V HN 0.546 nan 8.190 nan 0.000 0.462 523 F N -0.199 119.793 119.950 0.070 0.000 2.128 523 F HA -0.117 4.410 4.527 -0.000 0.000 0.295 523 F C 1.921 177.718 175.800 -0.005 0.000 1.100 523 F CA 1.461 59.459 58.000 -0.003 0.000 1.260 523 F CB -0.260 38.618 39.000 -0.203 0.000 1.009 523 F HN 0.152 nan 8.300 nan 0.000 0.476 524 W N 0.361 121.759 121.300 0.164 0.000 2.576 524 W HA -0.013 4.646 4.660 -0.000 0.000 0.270 524 W C 1.652 178.166 176.519 -0.009 0.000 1.255 524 W CA 0.591 57.969 57.345 0.055 0.000 1.314 524 W CB -0.135 29.451 29.460 0.209 0.000 1.101 524 W HN -0.050 nan 8.180 nan 0.000 0.595 525 N N -1.055 117.779 118.700 0.223 0.000 2.197 525 N HA 0.050 4.790 4.740 -0.000 0.000 0.201 525 N C 1.023 176.550 175.510 0.028 0.000 1.148 525 N CA 0.482 53.577 53.050 0.074 0.000 0.883 525 N CB 0.466 38.996 38.487 0.072 0.000 1.012 525 N HN 0.345 nan 8.380 nan 0.000 0.507 526 Q N -1.514 118.328 119.800 0.069 0.000 2.210 526 Q HA 0.247 4.587 4.340 -0.000 0.000 0.252 526 Q C 0.513 176.563 176.000 0.084 0.000 0.811 526 Q CA -0.049 55.798 55.803 0.073 0.000 0.953 526 Q CB 0.864 29.670 28.738 0.114 0.000 1.136 526 Q HN 0.118 nan 8.270 nan 0.000 0.491 527 F N 0.240 120.110 119.950 -0.134 0.000 2.536 527 F HA 0.132 4.659 4.527 -0.000 0.000 0.278 527 F C 1.562 177.181 175.800 -0.302 0.000 0.945 527 F CA 0.065 57.949 58.000 -0.193 0.000 1.244 527 F CB -0.072 38.819 39.000 -0.181 0.000 1.118 527 F HN -0.022 nan 8.300 nan 0.000 0.725 528 L N 1.958 122.817 121.223 -0.606 0.000 1.989 528 L HA -0.042 4.298 4.340 -0.000 0.000 0.211 528 L C -1.023 175.593 176.870 -0.424 0.000 1.071 528 L CA 2.364 56.793 54.840 -0.684 0.000 0.749 528 L CB -1.782 39.832 42.059 -0.741 0.000 0.890 528 L HN -0.003 nan 8.230 nan 0.000 0.431 529 P HA -0.203 nan 4.420 nan 0.000 0.216 529 P C 1.264 178.458 177.300 -0.177 0.000 1.150 529 P CA 1.836 64.847 63.100 -0.148 0.000 0.843 529 P CB -0.066 31.582 31.700 -0.087 0.000 0.787 530 K N -0.806 119.455 120.400 -0.232 0.000 2.062 530 K HA -0.069 4.251 4.320 -0.000 0.000 0.205 530 K C 2.146 178.578 176.600 -0.279 0.000 1.051 530 K CA 0.923 57.081 56.287 -0.214 0.000 0.941 530 K CB -0.880 31.505 32.500 -0.192 0.000 0.719 530 K HN 0.163 nan 8.250 nan 0.000 0.440 531 L N 1.430 122.374 121.223 -0.465 0.000 2.017 531 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 531 L C 2.075 178.787 176.870 -0.263 0.000 1.073 531 L CA 1.251 55.821 54.840 -0.449 0.000 0.745 531 L CB -0.149 41.492 42.059 -0.697 0.000 0.894 531 L HN 0.132 nan 8.230 nan 0.000 0.432 532 L N -0.057 121.023 121.223 -0.239 0.000 2.265 532 L HA -0.189 4.151 4.340 -0.000 0.000 0.215 532 L C 1.868 178.680 176.870 -0.095 0.000 1.117 532 L CA 1.241 55.993 54.840 -0.146 0.000 0.782 532 L CB -0.561 41.424 42.059 -0.123 0.000 0.914 532 L HN 0.413 nan 8.230 nan 0.000 0.441 533 N N -0.363 118.275 118.700 -0.104 0.000 2.299 533 N HA 0.045 4.785 4.740 -0.000 0.000 0.187 533 N C 1.544 177.013 175.510 -0.069 0.000 1.099 533 N CA 0.701 53.710 53.050 -0.069 0.000 0.867 533 N CB 0.320 38.770 38.487 -0.061 0.000 0.974 533 N HN 0.176 nan 8.380 nan 0.000 0.477 534 A N -0.651 122.112 122.820 -0.096 0.000 2.067 534 A HA 0.188 4.508 4.320 -0.000 0.000 0.217 534 A C 0.769 178.317 177.584 -0.060 0.000 1.156 534 A CA 0.941 52.929 52.037 -0.081 0.000 0.683 534 A CB -0.531 18.404 19.000 -0.110 0.000 0.808 534 A HN 0.283 nan 8.150 nan 0.000 0.455 535 T N 0.000 114.517 114.554 -0.062 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 535 T CA 0.000 62.075 62.100 -0.042 0.000 1.349 535 T CB 0.000 68.851 68.868 -0.028 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658