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 1u65_1_A 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 ATA 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 0.000 174.636 174.600 0.060 0.000 1.055 4 S CA 0.000 58.221 58.200 0.035 0.000 1.107 4 S CB 0.000 63.218 63.200 0.030 0.000 0.593 5 E N 0.978 121.222 120.200 0.073 0.000 2.401 5 E HA -0.025 4.325 4.350 -0.000 0.000 0.199 5 E C 1.245 177.968 176.600 0.205 0.000 1.023 5 E CA 0.718 57.190 56.400 0.120 0.000 0.859 5 E CB -0.219 29.555 29.700 0.123 0.000 0.780 5 E HN 0.623 nan 8.360 nan 0.000 0.523 6 L N 0.272 121.575 121.223 0.134 0.000 2.418 6 L HA 0.097 4.436 4.340 -0.000 0.000 0.218 6 L C 0.683 177.676 176.870 0.204 0.000 1.125 6 L CA -0.149 54.749 54.840 0.097 0.000 0.835 6 L CB 0.221 42.254 42.059 -0.043 0.000 0.953 6 L HN 0.205 nan 8.230 nan 0.000 0.454 7 L N 0.899 122.224 121.223 0.170 0.000 2.264 7 L HA 0.388 4.727 4.340 -0.000 0.000 0.287 7 L C -0.524 176.422 176.870 0.127 0.000 1.039 7 L CA -0.105 54.832 54.840 0.161 0.000 0.829 7 L CB 1.072 43.184 42.059 0.089 0.000 1.211 7 L HN -0.321 nan 8.230 nan 0.000 0.427 8 V N 4.505 124.513 119.914 0.157 0.000 2.555 8 V HA 0.475 4.595 4.120 -0.000 0.000 0.302 8 V C -0.261 175.787 176.094 -0.076 0.000 1.038 8 V CA -0.839 61.404 62.300 -0.095 0.000 0.887 8 V CB 1.997 33.520 31.823 -0.500 0.000 0.991 8 V HN 0.764 nan 8.190 nan 0.000 0.434 9 N N 2.340 120.905 118.700 -0.226 0.000 2.444 9 N HA 0.567 5.307 4.740 -0.000 0.000 0.262 9 N C -0.296 174.924 175.510 -0.484 0.000 0.974 9 N CA -0.213 52.684 53.050 -0.255 0.000 0.933 9 N CB 1.483 39.801 38.487 -0.282 0.000 1.137 9 N HN 0.928 nan 8.380 nan 0.000 0.498 10 T N 0.019 114.421 114.554 -0.253 0.000 2.949 10 T HA 0.362 4.711 4.350 -0.000 0.000 0.287 10 T C 0.716 175.274 174.700 -0.237 0.000 1.034 10 T CA -0.692 61.292 62.100 -0.192 0.000 1.018 10 T CB 1.040 70.056 68.868 0.246 0.000 1.135 10 T HN 0.409 nan 8.240 nan 0.000 0.532 11 K N 0.551 120.898 120.400 -0.089 0.000 2.616 11 K HA 0.094 4.414 4.320 -0.000 0.000 0.192 11 K C 1.094 177.607 176.600 -0.145 0.000 1.031 11 K CA 0.331 56.560 56.287 -0.097 0.000 1.004 11 K CB -0.070 32.428 32.500 -0.003 0.000 0.810 11 K HN 0.448 nan 8.250 nan 0.000 0.497 12 S N -0.675 114.886 115.700 -0.230 0.000 2.589 12 S HA 0.238 4.707 4.470 -0.000 0.000 0.235 12 S C 0.444 174.335 174.600 -1.183 0.000 1.051 12 S CA -0.008 57.934 58.200 -0.429 0.000 0.978 12 S CB 1.518 64.653 63.200 -0.107 0.000 0.929 12 S HN 0.511 nan 8.310 nan 0.000 0.523 13 G N 1.336 109.507 108.800 -1.049 0.000 2.359 13 G HA2 0.256 4.216 3.960 -0.000 0.000 0.293 13 G HA3 0.256 4.216 3.960 -0.000 0.000 0.293 13 G C -2.129 172.635 174.900 -0.227 0.000 1.300 13 G CA -1.102 43.303 45.100 -1.160 0.000 0.888 13 G HN 0.115 nan 8.290 nan 0.000 0.541 14 K N -0.815 119.709 120.400 0.206 0.000 2.087 14 K HA 0.729 5.048 4.320 -0.000 0.000 0.255 14 K C -0.114 176.893 176.600 0.678 0.000 0.988 14 K CA -0.734 55.763 56.287 0.350 0.000 0.915 14 K CB 2.197 34.840 32.500 0.238 0.000 1.043 14 K HN 1.178 nan 8.250 nan 0.000 0.457 15 V N -1.145 119.087 119.914 0.529 0.000 2.760 15 V HA 0.528 4.648 4.120 -0.000 0.000 0.309 15 V C -1.088 175.287 176.094 0.468 0.000 1.077 15 V CA -1.063 61.590 62.300 0.587 0.000 0.910 15 V CB 1.692 33.924 31.823 0.682 0.000 1.008 15 V HN 0.753 nan 8.190 nan 0.000 0.424 16 M N 5.077 124.887 119.600 0.351 0.000 2.088 16 M HA 0.805 5.285 4.480 -0.000 0.000 0.346 16 M C 0.496 176.839 176.300 0.072 0.000 1.111 16 M CA 0.228 55.642 55.300 0.190 0.000 1.017 16 M CB 0.544 33.204 32.600 0.100 0.000 1.568 16 M HN 1.132 nan 8.290 nan 0.000 0.445 17 G N 1.997 110.706 108.800 -0.151 0.000 2.546 17 G HA2 0.581 4.541 3.960 -0.000 0.000 0.239 17 G HA3 0.581 4.541 3.960 -0.000 0.000 0.239 17 G C -0.936 173.720 174.900 -0.406 0.000 1.476 17 G CA -0.105 44.582 45.100 -0.688 0.000 1.064 17 G HN 0.744 nan 8.290 nan 0.000 0.561 18 T N -1.703 112.575 114.554 -0.460 0.000 3.225 18 T HA 0.404 4.754 4.350 -0.000 0.000 0.356 18 T C -0.923 173.652 174.700 -0.208 0.000 1.460 18 T CA -0.655 61.292 62.100 -0.255 0.000 1.126 18 T CB 1.280 70.023 68.868 -0.209 0.000 1.321 18 T HN 0.632 nan 8.240 nan 0.000 0.478 19 R N 2.662 123.098 120.500 -0.108 0.000 2.441 19 R HA 0.686 5.026 4.340 -0.000 0.000 0.284 19 R C -0.415 175.897 176.300 0.020 0.000 1.070 19 R CA -0.380 55.706 56.100 -0.023 0.000 1.047 19 R CB 0.586 30.886 30.300 -0.000 0.000 1.016 19 R HN 0.599 nan 8.270 nan 0.000 0.477 20 V N 1.938 121.887 119.914 0.058 0.000 2.841 20 V HA 0.630 4.749 4.120 -0.000 0.000 0.310 20 V C -2.642 173.418 176.094 -0.057 0.000 1.090 20 V CA -2.512 59.797 62.300 0.017 0.000 0.930 20 V CB 1.892 33.710 31.823 -0.008 0.000 1.014 20 V HN 0.782 nan 8.190 nan 0.000 0.425 21 P HA 0.370 nan 4.420 nan 0.000 0.275 21 P C -0.850 176.240 177.300 -0.350 0.000 1.228 21 P CA -0.034 62.781 63.100 -0.474 0.000 0.786 21 P CB 2.000 33.474 31.700 -0.377 0.000 0.927 22 V N 5.694 125.348 119.914 -0.433 0.000 2.624 22 V HA 0.161 4.280 4.120 -0.000 0.000 0.294 22 V C -0.104 175.701 176.094 -0.481 0.000 1.077 22 V CA -0.820 61.209 62.300 -0.453 0.000 0.905 22 V CB 0.540 32.040 31.823 -0.538 0.000 1.025 22 V HN 0.502 nan 8.190 nan 0.000 0.440 23 L N 6.226 127.307 121.223 -0.236 0.000 3.823 23 L HA -0.184 4.156 4.340 -0.000 0.000 0.525 23 L C 0.861 177.626 176.870 -0.174 0.000 1.247 23 L CA 0.903 55.657 54.840 -0.143 0.000 0.776 23 L CB -1.664 40.340 42.059 -0.091 0.000 1.443 23 L HN 1.573 nan 8.230 nan 0.000 0.831 24 S N -1.800 113.804 115.700 -0.160 0.000 3.608 24 S HA -0.121 4.349 4.470 -0.000 0.000 0.382 24 S C 0.063 174.591 174.600 -0.120 0.000 0.945 24 S CA 0.992 59.120 58.200 -0.119 0.000 1.256 24 S CB -1.100 62.075 63.200 -0.042 0.000 0.913 24 S HN 1.389 nan 8.310 nan 0.000 0.518 25 S N -0.165 115.384 115.700 -0.252 0.000 2.654 25 S HA 0.696 5.166 4.470 -0.000 0.000 0.267 25 S C -1.715 172.685 174.600 -0.333 0.000 1.151 25 S CA -0.555 57.578 58.200 -0.112 0.000 0.873 25 S CB 0.582 63.736 63.200 -0.077 0.000 1.181 25 S HN 0.910 nan 8.310 nan 0.000 0.489 26 H N 0.415 119.451 119.070 -0.058 0.000 2.949 26 H HA 0.851 5.406 4.556 -0.000 0.000 0.356 26 H C -0.431 174.926 175.328 0.048 0.000 1.212 26 H CA -0.321 55.708 56.048 -0.032 0.000 1.136 26 H CB 1.429 31.186 29.762 -0.008 0.000 1.869 26 H HN 0.702 nan 8.280 nan 0.000 0.556 27 I N -2.303 118.386 120.570 0.198 0.000 3.181 27 I HA 0.582 4.752 4.170 -0.000 0.000 0.311 27 I C -0.878 175.341 176.117 0.170 0.000 1.287 27 I CA -0.800 60.630 61.300 0.217 0.000 0.958 27 I CB 1.745 39.910 38.000 0.275 0.000 1.294 27 I HN 0.535 nan 8.210 nan 0.000 0.467 28 S N 1.414 117.227 115.700 0.188 0.000 2.652 28 S HA 0.899 5.369 4.470 -0.000 0.000 0.270 28 S C -0.054 174.575 174.600 0.049 0.000 1.243 28 S CA -0.139 58.120 58.200 0.099 0.000 0.999 28 S CB 1.379 64.728 63.200 0.248 0.000 0.973 28 S HN 1.153 nan 8.310 nan 0.000 0.544 29 A N 1.415 124.093 122.820 -0.237 0.000 2.500 29 A HA 0.619 4.939 4.320 -0.000 0.000 0.291 29 A C -1.645 175.649 177.584 -0.482 0.000 1.048 29 A CA -0.667 51.146 52.037 -0.374 0.000 0.791 29 A CB 0.440 19.128 19.000 -0.519 0.000 1.309 29 A HN 0.535 nan 8.150 nan 0.000 0.397 30 F N 3.000 122.781 119.950 -0.281 0.000 2.311 30 F HA 0.515 5.042 4.527 -0.000 0.000 0.371 30 F C -0.054 175.596 175.800 -0.250 0.000 1.083 30 F CA -0.735 57.183 58.000 -0.137 0.000 1.113 30 F CB 1.184 40.226 39.000 0.069 0.000 1.349 30 F HN 0.395 nan 8.300 nan 0.000 0.470 31 L N 2.421 123.551 121.223 -0.155 0.000 2.289 31 L HA 0.735 5.075 4.340 -0.000 0.000 0.285 31 L C 0.976 177.839 176.870 -0.011 0.000 1.049 31 L CA -0.707 54.028 54.840 -0.175 0.000 0.804 31 L CB 1.321 43.153 42.059 -0.379 0.000 1.195 31 L HN 0.850 nan 8.230 nan 0.000 0.428 32 G N 2.720 111.544 108.800 0.040 0.000 2.144 32 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.218 32 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.218 32 G C 0.105 175.070 174.900 0.107 0.000 0.988 32 G CA -0.762 44.372 45.100 0.056 0.000 0.659 32 G HN 0.416 nan 8.290 nan 0.000 0.522 33 I N 2.621 123.166 120.570 -0.043 0.000 2.662 33 I HA 0.163 4.332 4.170 -0.000 0.000 0.285 33 I C -1.476 174.408 176.117 -0.389 0.000 1.161 33 I CA -1.664 59.439 61.300 -0.327 0.000 1.415 33 I CB 0.106 37.876 38.000 -0.385 0.000 1.385 33 I HN 0.057 nan 8.210 nan 0.000 0.552 34 P HA 0.194 nan 4.420 nan 0.000 0.285 34 P C -0.386 176.548 177.300 -0.610 0.000 1.259 34 P CA -0.246 62.339 63.100 -0.858 0.000 0.794 34 P CB 0.845 31.940 31.700 -1.009 0.000 0.940 35 F N 0.770 120.418 119.950 -0.504 0.000 2.735 35 F HA 0.792 5.319 4.527 -0.000 0.000 0.308 35 F C -0.244 175.479 175.800 -0.129 0.000 1.112 35 F CA -1.289 56.508 58.000 -0.337 0.000 1.235 35 F CB -0.007 38.742 39.000 -0.418 0.000 1.027 35 F HN 0.402 nan 8.300 nan 0.000 0.528 36 A N -0.396 122.241 122.820 -0.304 0.000 2.597 36 A HA 0.569 4.888 4.320 -0.000 0.000 0.292 36 A C -1.082 176.379 177.584 -0.204 0.000 1.057 36 A CA -0.825 51.127 52.037 -0.141 0.000 0.674 36 A CB 0.937 19.870 19.000 -0.112 0.000 1.278 36 A HN 0.038 nan 8.150 nan 0.000 0.416 37 E N 0.926 121.075 120.200 -0.084 0.000 2.373 37 E HA 0.315 4.665 4.350 -0.000 0.000 0.267 37 E C -2.355 174.176 176.600 -0.115 0.000 1.032 37 E CA -1.464 54.894 56.400 -0.070 0.000 0.889 37 E CB 0.186 29.880 29.700 -0.010 0.000 0.984 37 E HN 0.256 nan 8.360 nan 0.000 0.425 38 P HA -0.003 nan 4.420 nan 0.000 0.258 38 P C -2.076 175.173 177.300 -0.085 0.000 1.187 38 P CA -0.661 62.372 63.100 -0.112 0.000 0.767 38 P CB 0.034 31.697 31.700 -0.061 0.000 0.770 39 P HA -0.060 nan 4.420 nan 0.000 0.290 39 P C 0.091 177.332 177.300 -0.099 0.000 1.584 39 P CA 0.341 63.392 63.100 -0.083 0.000 0.813 39 P CB -0.320 31.331 31.700 -0.083 0.000 1.775 40 V N -3.934 115.931 119.914 -0.082 0.000 3.262 40 V HA 0.786 4.906 4.120 -0.000 0.000 0.313 40 V C 1.361 177.416 176.094 -0.065 0.000 1.070 40 V CA 0.115 62.366 62.300 -0.083 0.000 1.049 40 V CB 0.224 32.009 31.823 -0.063 0.000 1.157 40 V HN 0.442 nan 8.190 nan 0.000 0.454 41 G N 1.564 110.327 108.800 -0.061 0.000 2.665 41 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.326 41 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.326 41 G C 0.629 175.507 174.900 -0.036 0.000 1.231 41 G CA 1.205 46.282 45.100 -0.038 0.000 0.992 41 G HN 1.013 nan 8.290 nan 0.000 0.549 42 N N 0.658 119.355 118.700 -0.006 0.000 2.515 42 N HA 0.132 4.872 4.740 -0.000 0.000 0.185 42 N C 2.239 177.754 175.510 0.010 0.000 1.109 42 N CA 0.953 54.013 53.050 0.017 0.000 0.903 42 N CB -0.079 38.429 38.487 0.036 0.000 0.969 42 N HN 0.418 nan 8.380 nan 0.000 0.450 43 M N -0.240 119.349 119.600 -0.017 0.000 2.492 43 M HA 0.033 4.513 4.480 -0.000 0.000 0.262 43 M C 0.662 176.931 176.300 -0.052 0.000 1.090 43 M CA 0.181 55.470 55.300 -0.018 0.000 1.110 43 M CB -0.576 32.008 32.600 -0.027 0.000 1.407 43 M HN 0.061 nan 8.290 nan 0.000 0.470 44 R N 0.767 121.185 120.500 -0.138 0.000 2.486 44 R HA -0.086 4.253 4.340 -0.000 0.000 0.303 44 R C -0.424 175.693 176.300 -0.305 0.000 0.958 44 R CA 0.602 56.491 56.100 -0.352 0.000 1.077 44 R CB -0.002 29.966 30.300 -0.553 0.000 0.921 44 R HN 0.212 nan 8.270 nan 0.000 0.406 45 F N -0.276 119.684 119.950 0.016 0.000 2.427 45 F HA -0.269 4.258 4.527 -0.001 0.000 0.567 45 F C 0.651 176.440 175.800 -0.018 0.000 0.511 45 F CA 0.756 58.743 58.000 -0.022 0.000 1.311 45 F CB -1.362 37.615 39.000 -0.038 0.000 2.049 45 F HN 0.611 nan 8.300 nan 0.000 0.259 46 R N 1.865 122.455 120.500 0.149 0.000 2.637 46 R HA 0.433 4.772 4.340 -0.000 0.000 0.269 46 R C 0.677 177.018 176.300 0.067 0.000 1.089 46 R CA -0.714 55.443 56.100 0.095 0.000 1.177 46 R CB 0.466 30.806 30.300 0.068 0.000 1.091 46 R HN 0.143 nan 8.270 nan 0.000 0.540 47 R N 1.984 122.521 120.500 0.062 0.000 2.679 47 R HA 0.079 4.419 4.340 -0.000 0.000 0.268 47 R C -1.863 174.472 176.300 0.057 0.000 1.044 47 R CA -1.097 55.039 56.100 0.060 0.000 1.105 47 R CB -0.173 30.167 30.300 0.066 0.000 0.989 47 R HN 0.420 nan 8.270 nan 0.000 0.447 48 P HA 0.036 nan 4.420 nan 0.000 0.271 48 P C -0.846 176.499 177.300 0.074 0.000 1.218 48 P CA 0.120 63.262 63.100 0.069 0.000 0.780 48 P CB 0.860 32.627 31.700 0.110 0.000 0.901 49 E N 2.766 123.001 120.200 0.058 0.000 2.183 49 E HA 0.348 4.698 4.350 -0.000 0.000 0.271 49 E C -2.145 174.502 176.600 0.079 0.000 0.919 49 E CA -2.303 54.135 56.400 0.063 0.000 0.781 49 E CB 1.310 31.037 29.700 0.046 0.000 1.140 49 E HN 0.385 nan 8.360 nan 0.000 0.402 50 P HA -0.057 nan 4.420 nan 0.000 0.267 50 P C -0.133 177.237 177.300 0.117 0.000 1.201 50 P CA -0.241 62.942 63.100 0.139 0.000 0.775 50 P CB 0.634 32.418 31.700 0.140 0.000 0.854 51 K N 3.239 123.725 120.400 0.142 0.000 2.383 51 K HA 0.058 4.378 4.320 -0.000 0.000 0.286 51 K C -0.013 176.688 176.600 0.169 0.000 1.051 51 K CA 0.231 56.593 56.287 0.126 0.000 0.974 51 K CB -0.265 32.308 32.500 0.122 0.000 0.968 51 K HN 0.220 nan 8.250 nan 0.000 0.475 52 K N 6.324 126.815 120.400 0.150 0.000 2.447 52 K HA 0.065 4.385 4.320 -0.000 0.000 0.281 52 K C -2.169 174.546 176.600 0.192 0.000 1.031 52 K CA -1.404 54.969 56.287 0.143 0.000 1.019 52 K CB 0.067 32.645 32.500 0.129 0.000 0.918 52 K HN 0.501 nan 8.250 nan 0.000 0.476 53 P HA -0.124 nan 4.420 nan 0.000 0.263 53 P C -1.095 176.259 177.300 0.091 0.000 1.175 53 P CA 0.201 63.276 63.100 -0.041 0.000 0.761 53 P CB 0.242 31.882 31.700 -0.099 0.000 0.794 54 W N 1.808 123.194 121.300 0.144 0.000 2.671 54 W HA 0.699 5.359 4.660 -0.000 0.000 0.360 54 W C -0.839 175.766 176.519 0.144 0.000 1.128 54 W CA -0.907 56.542 57.345 0.174 0.000 1.184 54 W CB 0.038 29.677 29.460 0.300 0.000 1.415 54 W HN 0.316 nan 8.180 nan 0.000 0.604 55 S N 1.018 116.964 115.700 0.409 0.000 2.549 55 S HA 0.870 5.340 4.470 -0.000 0.000 0.297 55 S C 0.300 175.118 174.600 0.364 0.000 1.115 55 S CA -0.155 58.200 58.200 0.258 0.000 1.059 55 S CB 1.038 64.333 63.200 0.158 0.000 1.046 55 S HN 2.015 nan 8.310 nan 0.000 0.506 56 G N 0.202 109.153 108.800 0.252 0.000 2.568 56 G HA2 -0.097 3.862 3.960 -0.000 0.000 0.222 56 G HA3 -0.097 3.862 3.960 -0.000 0.000 0.222 56 G C -0.978 174.121 174.900 0.332 0.000 1.321 56 G CA -0.399 44.838 45.100 0.229 0.000 0.893 56 G HN 1.510 nan 8.290 nan 0.000 0.569 57 V N 0.784 120.849 119.914 0.251 0.000 2.357 57 V HA 0.475 4.595 4.120 -0.000 0.000 0.284 57 V C 0.181 176.414 176.094 0.232 0.000 1.018 57 V CA -0.492 61.983 62.300 0.290 0.000 0.841 57 V CB 1.677 33.603 31.823 0.173 0.000 0.991 57 V HN 0.688 nan 8.190 nan 0.000 0.437 58 W N 5.335 126.731 121.300 0.160 0.000 2.356 58 W HA 0.249 4.909 4.660 -0.000 0.000 0.311 58 W C 0.156 176.662 176.519 -0.021 0.000 1.328 58 W CA -0.490 56.782 57.345 -0.123 0.000 1.251 58 W CB 0.747 29.920 29.460 -0.479 0.000 1.280 58 W HN 0.662 nan 8.180 nan 0.000 0.524 59 N N 4.347 122.933 118.700 -0.191 0.000 2.420 59 N HA 0.304 5.044 4.740 -0.000 0.000 0.262 59 N C -0.449 175.123 175.510 0.102 0.000 1.144 59 N CA 0.198 53.218 53.050 -0.049 0.000 0.952 59 N CB 0.921 39.307 38.487 -0.168 0.000 1.081 59 N HN 0.344 nan 8.380 nan 0.000 0.480 60 A N 2.683 125.612 122.820 0.182 0.000 3.219 60 A HA 0.267 4.587 4.320 -0.000 0.000 0.314 60 A C 0.803 178.368 177.584 -0.031 0.000 1.081 60 A CA -0.443 51.694 52.037 0.167 0.000 0.995 60 A CB -0.426 18.749 19.000 0.291 0.000 1.067 60 A HN 0.675 nan 8.150 nan 0.000 0.533 61 S N -0.836 114.816 115.700 -0.079 0.000 2.497 61 S HA 0.102 4.571 4.470 -0.000 0.000 0.221 61 S C 1.019 175.516 174.600 -0.172 0.000 1.037 61 S CA 0.752 58.863 58.200 -0.148 0.000 0.920 61 S CB -0.301 62.827 63.200 -0.121 0.000 0.800 61 S HN 0.739 nan 8.310 nan 0.000 0.505 62 T N -0.718 113.758 114.554 -0.131 0.000 2.949 62 T HA 0.655 5.005 4.350 -0.000 0.000 0.287 62 T C -0.760 173.885 174.700 -0.092 0.000 1.034 62 T CA -0.739 61.290 62.100 -0.118 0.000 1.018 62 T CB 0.586 69.415 68.868 -0.065 0.000 1.135 62 T HN 0.094 nan 8.240 nan 0.000 0.532 63 Y N 2.365 122.629 120.300 -0.060 0.000 2.336 63 Y HA 0.381 4.931 4.550 -0.000 0.000 0.331 63 Y C -1.413 174.422 175.900 -0.108 0.000 1.211 63 Y CA -1.624 56.445 58.100 -0.052 0.000 1.346 63 Y CB 0.423 38.878 38.460 -0.009 0.000 1.271 63 Y HN 0.544 nan 8.280 nan 0.000 0.538 64 P HA 0.105 nan 4.420 nan 0.000 0.289 64 P C -0.925 176.297 177.300 -0.131 0.000 1.299 64 P CA -0.442 62.536 63.100 -0.203 0.000 0.766 64 P CB 1.054 32.551 31.700 -0.339 0.000 1.226 65 N N -0.764 117.822 118.700 -0.190 0.000 2.381 65 N HA 0.119 4.859 4.740 -0.000 0.000 0.254 65 N C 0.020 175.499 175.510 -0.052 0.000 1.264 65 N CA -0.251 52.740 53.050 -0.098 0.000 0.942 65 N CB 0.188 38.628 38.487 -0.079 0.000 1.190 65 N HN 0.418 nan 8.380 nan 0.000 0.495 66 N N -0.591 118.069 118.700 -0.065 0.000 2.466 66 N HA 0.338 5.078 4.740 -0.000 0.000 0.294 66 N C -0.886 174.578 175.510 -0.076 0.000 1.129 66 N CA -0.814 52.191 53.050 -0.074 0.000 0.931 66 N CB 1.270 39.693 38.487 -0.106 0.000 1.193 66 N HN 0.385 nan 8.380 nan 0.000 0.500 67 c N 1.192 119.744 118.600 -0.080 0.000 2.657 67 c HA 0.101 4.670 4.570 -0.000 0.000 0.404 67 c C 0.521 174.534 174.090 -0.127 0.000 1.291 67 c CA -0.707 55.560 56.329 -0.104 0.000 2.218 67 c CB 0.146 42.617 42.510 -0.064 0.000 2.687 67 c HN 0.534 nan 8.230 nan 0.000 0.634 68 Q N 2.590 122.241 119.800 -0.248 0.000 2.247 68 Q HA 0.163 4.503 4.340 -0.000 0.000 0.288 68 Q C 0.014 176.031 176.000 0.028 0.000 1.079 68 Q CA 1.024 56.687 55.803 -0.234 0.000 0.932 68 Q CB 0.232 28.559 28.738 -0.685 0.000 1.133 68 Q HN 0.886 nan 8.270 nan 0.000 0.377 69 Q N 1.458 121.326 119.800 0.113 0.000 2.590 69 Q HA 0.374 4.714 4.340 -0.000 0.000 0.295 69 Q C -1.267 174.887 176.000 0.257 0.000 0.973 69 Q CA -1.079 54.864 55.803 0.233 0.000 0.768 69 Q CB 0.936 29.761 28.738 0.144 0.000 1.479 69 Q HN 0.455 nan 8.270 nan 0.000 0.419 70 Y N 1.021 121.498 120.300 0.294 0.000 2.377 70 Y HA 0.423 4.973 4.550 -0.000 0.000 0.330 70 Y C -1.117 174.957 175.900 0.290 0.000 1.108 70 Y CA -0.157 58.134 58.100 0.320 0.000 1.308 70 Y CB 0.997 39.718 38.460 0.436 0.000 1.216 70 Y HN 0.433 nan 8.280 nan 0.000 0.518 71 V N 6.766 126.253 119.914 -0.711 0.000 2.394 71 V HA 0.124 4.244 4.120 -0.000 0.000 0.282 71 V C -0.484 175.207 176.094 -0.673 0.000 1.031 71 V CA -0.932 61.089 62.300 -0.465 0.000 0.881 71 V CB 1.365 33.061 31.823 -0.211 0.000 0.982 71 V HN 0.789 nan 8.190 nan 0.000 0.451 72 D N 4.074 124.369 120.400 -0.174 0.000 2.339 72 D HA 0.151 4.791 4.640 -0.000 0.000 0.256 72 D C 0.272 176.638 176.300 0.110 0.000 1.214 72 D CA 0.181 54.249 54.000 0.113 0.000 0.877 72 D CB 0.765 41.775 40.800 0.350 0.000 1.111 72 D HN 0.686 nan 8.370 nan 0.000 0.478 73 E N 2.892 123.145 120.200 0.088 0.000 3.575 73 E HA 0.056 4.406 4.350 -0.000 0.000 0.201 73 E C 0.595 177.194 176.600 -0.002 0.000 0.999 73 E CA -0.247 56.189 56.400 0.060 0.000 1.315 73 E CB 0.822 30.531 29.700 0.016 0.000 1.146 73 E HN 0.469 nan 8.360 nan 0.000 0.453 74 Q N -0.594 119.162 119.800 -0.074 0.000 2.269 74 Q HA 0.062 4.402 4.340 -0.000 0.000 0.201 74 Q C 0.017 175.577 176.000 -0.733 0.000 0.946 74 Q CA 0.871 56.383 55.803 -0.485 0.000 0.877 74 Q CB 0.414 28.649 28.738 -0.838 0.000 0.963 74 Q HN 0.273 nan 8.270 nan 0.000 0.472 75 F N 1.258 121.282 119.950 0.123 0.000 2.564 75 F HA 0.302 4.829 4.527 -0.000 0.000 0.329 75 F C -2.138 173.756 175.800 0.156 0.000 1.458 75 F CA -2.813 55.254 58.000 0.112 0.000 1.117 75 F CB 0.780 39.883 39.000 0.172 0.000 1.383 75 F HN -0.148 nan 8.300 nan 0.000 0.571 76 P HA 0.082 nan 4.420 nan 0.000 0.264 76 P C 0.843 178.241 177.300 0.164 0.000 1.183 76 P CA 0.922 64.113 63.100 0.151 0.000 0.763 76 P CB 1.003 32.751 31.700 0.079 0.000 0.807 77 G N 1.765 110.645 108.800 0.133 0.000 2.246 77 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.273 77 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.273 77 G C -0.552 174.448 174.900 0.167 0.000 1.055 77 G CA -0.155 45.007 45.100 0.103 0.000 0.851 77 G HN 0.578 nan 8.290 nan 0.000 0.500 78 F N 1.096 121.044 119.950 -0.004 0.000 2.612 78 F HA 0.541 5.067 4.527 -0.000 0.000 0.332 78 F C 1.269 177.007 175.800 -0.102 0.000 1.167 78 F CA -0.477 57.473 58.000 -0.083 0.000 0.970 78 F CB 1.095 40.042 39.000 -0.088 0.000 1.234 78 F HN 0.317 nan 8.300 nan 0.000 0.453 79 S N 3.202 118.510 115.700 -0.655 0.000 2.387 79 S HA -0.166 4.303 4.470 -0.000 0.000 0.230 79 S C 2.174 176.408 174.600 -0.610 0.000 1.035 79 S CA 1.542 59.412 58.200 -0.551 0.000 1.014 79 S CB -1.190 61.707 63.200 -0.505 0.000 0.836 79 S HN 0.906 nan 8.310 nan 0.000 0.466 80 G N 1.668 109.697 108.800 -1.285 0.000 2.513 80 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.219 80 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.219 80 G C 1.797 176.929 174.900 0.387 0.000 1.160 80 G CA 1.800 46.400 45.100 -0.834 0.000 0.767 80 G HN 0.943 nan 8.290 nan 0.000 0.571 81 S N -0.518 115.497 115.700 0.525 0.000 2.497 81 S HA 0.152 4.621 4.470 -0.000 0.000 0.221 81 S C 1.850 176.792 174.600 0.571 0.000 1.037 81 S CA 0.836 59.605 58.200 0.950 0.000 0.920 81 S CB 0.007 63.895 63.200 1.147 0.000 0.800 81 S HN 0.491 nan 8.310 nan 0.000 0.505 82 E N 2.027 122.382 120.200 0.258 0.000 2.268 82 E HA -0.058 4.292 4.350 -0.000 0.000 0.195 82 E C 1.936 178.506 176.600 -0.049 0.000 0.995 82 E CA 1.204 57.667 56.400 0.106 0.000 0.836 82 E CB -0.398 29.319 29.700 0.029 0.000 0.763 82 E HN 0.841 nan 8.360 nan 0.000 0.491 83 M N -1.827 117.645 119.600 -0.214 0.000 2.700 83 M HA -0.029 4.451 4.480 -0.000 0.000 0.249 83 M C 0.621 176.494 176.300 -0.713 0.000 1.082 83 M CA 1.200 56.179 55.300 -0.536 0.000 1.077 83 M CB -0.328 31.828 32.600 -0.740 0.000 1.477 83 M HN 0.047 nan 8.290 nan 0.000 0.529 84 W N 0.237 121.500 121.300 -0.063 0.000 2.975 84 W HA 0.323 4.982 4.660 -0.001 0.000 0.316 84 W C 0.338 176.795 176.519 -0.103 0.000 1.131 84 W CA -0.828 56.456 57.345 -0.102 0.000 1.624 84 W CB -0.040 29.399 29.460 -0.035 0.000 1.038 84 W HN 0.074 nan 8.180 nan 0.000 0.571 85 N N 1.943 120.702 118.700 0.098 0.000 2.399 85 N HA 0.112 4.852 4.740 -0.000 0.000 0.250 85 N C -2.488 172.991 175.510 -0.053 0.000 1.272 85 N CA -1.163 51.905 53.050 0.030 0.000 0.928 85 N CB -0.311 38.193 38.487 0.028 0.000 1.158 85 N HN -0.351 nan 8.380 nan 0.000 0.463 86 P HA 0.058 nan 4.420 nan 0.000 0.263 86 P C 0.168 177.408 177.300 -0.099 0.000 1.195 86 P CA 0.154 63.195 63.100 -0.098 0.000 0.762 86 P CB -0.003 31.648 31.700 -0.083 0.000 0.799 87 N N 2.271 120.894 118.700 -0.129 0.000 2.235 87 N HA 0.082 4.822 4.740 -0.000 0.000 0.209 87 N C 0.408 175.856 175.510 -0.104 0.000 1.122 87 N CA -0.540 52.437 53.050 -0.121 0.000 0.845 87 N CB 0.394 38.789 38.487 -0.155 0.000 1.004 87 N HN 0.129 nan 8.380 nan 0.000 0.499 88 R N 0.662 121.102 120.500 -0.100 0.000 2.987 88 R HA 0.298 4.637 4.340 -0.000 0.000 0.248 88 R C -0.953 175.304 176.300 -0.071 0.000 1.264 88 R CA -0.688 55.364 56.100 -0.081 0.000 1.026 88 R CB 0.636 30.884 30.300 -0.088 0.000 1.286 88 R HN 0.165 nan 8.270 nan 0.000 0.483 89 E N 1.490 121.651 120.200 -0.065 0.000 2.180 89 E HA 0.148 4.498 4.350 -0.000 0.000 0.283 89 E C -0.171 176.389 176.600 -0.067 0.000 1.061 89 E CA -0.061 56.302 56.400 -0.060 0.000 0.861 89 E CB 0.604 30.271 29.700 -0.056 0.000 1.056 89 E HN 0.228 nan 8.360 nan 0.000 0.407 90 M N 2.591 122.151 119.600 -0.067 0.000 2.249 90 M HA 0.051 4.531 4.480 -0.000 0.000 0.340 90 M C 0.046 176.293 176.300 -0.089 0.000 1.166 90 M CA 0.865 56.118 55.300 -0.079 0.000 1.115 90 M CB 0.883 33.441 32.600 -0.072 0.000 1.606 90 M HN 0.391 nan 8.290 nan 0.000 0.448 91 S N 1.248 116.881 115.700 -0.111 0.000 2.578 91 S HA 0.165 4.634 4.470 -0.000 0.000 0.285 91 S C 0.185 174.689 174.600 -0.159 0.000 1.126 91 S CA -0.782 57.345 58.200 -0.122 0.000 0.878 91 S CB 1.114 64.270 63.200 -0.073 0.000 1.091 91 S HN 0.844 nan 8.310 nan 0.000 0.450 92 E N 1.465 121.535 120.200 -0.216 0.000 2.097 92 E HA -0.156 4.194 4.350 -0.000 0.000 0.196 92 E C 0.132 176.651 176.600 -0.136 0.000 1.000 92 E CA 1.053 57.302 56.400 -0.251 0.000 0.804 92 E CB -0.054 29.488 29.700 -0.263 0.000 0.740 92 E HN 0.652 nan 8.360 nan 0.000 0.454 93 D N 0.740 121.096 120.400 -0.073 0.000 2.429 93 D HA -0.059 4.581 4.640 -0.000 0.000 0.253 93 D C 0.030 176.398 176.300 0.113 0.000 1.294 93 D CA 0.053 54.054 54.000 0.001 0.000 1.063 93 D CB -0.125 40.706 40.800 0.051 0.000 1.096 93 D HN 0.216 nan 8.370 nan 0.000 0.516 94 c N 2.733 121.366 118.600 0.055 0.000 3.722 94 c HA 0.370 4.939 4.570 -0.000 0.000 0.279 94 c C 0.612 174.754 174.090 0.086 0.000 1.819 94 c CA -0.706 55.717 56.329 0.157 0.000 1.744 94 c CB -1.240 41.289 42.510 0.031 0.000 3.247 94 c HN 0.418 nan 8.230 nan 0.000 0.549 95 L N 2.670 123.712 121.223 -0.302 0.000 2.387 95 L HA 0.434 4.774 4.340 -0.000 0.000 0.267 95 L C -0.794 175.310 176.870 -1.276 0.000 1.197 95 L CA 0.392 54.816 54.840 -0.693 0.000 1.070 95 L CB -0.631 40.970 42.059 -0.763 0.000 1.349 95 L HN 0.377 nan 8.230 nan 0.000 0.422 96 Y N 1.915 121.947 120.300 -0.446 0.000 2.634 96 Y HA 0.727 5.277 4.550 -0.000 0.000 0.340 96 Y C -0.183 175.786 175.900 0.115 0.000 1.058 96 Y CA -1.386 56.540 58.100 -0.289 0.000 1.081 96 Y CB 1.812 40.181 38.460 -0.151 0.000 1.295 96 Y HN 0.166 nan 8.280 nan 0.000 0.487 97 L N -0.271 121.114 121.223 0.268 0.000 2.424 97 L HA 0.758 5.098 4.340 -0.000 0.000 0.258 97 L C -1.510 175.436 176.870 0.128 0.000 0.995 97 L CA -1.119 53.867 54.840 0.242 0.000 0.821 97 L CB 2.032 44.186 42.059 0.158 0.000 1.383 97 L HN 0.477 nan 8.230 nan 0.000 0.410 98 N N 2.025 120.837 118.700 0.187 0.000 2.314 98 N HA 0.739 5.479 4.740 -0.000 0.000 0.304 98 N C -1.165 174.392 175.510 0.080 0.000 1.073 98 N CA -0.268 52.822 53.050 0.066 0.000 0.822 98 N CB 2.690 41.249 38.487 0.119 0.000 1.280 98 N HN 0.661 nan 8.380 nan 0.000 0.489 99 I N 0.039 120.548 120.570 -0.102 0.000 2.740 99 I HA 0.442 4.612 4.170 -0.000 0.000 0.303 99 I C -0.745 175.369 176.117 -0.005 0.000 1.044 99 I CA -0.722 60.607 61.300 0.048 0.000 1.064 99 I CB 2.540 40.458 38.000 -0.136 0.000 1.249 99 I HN 0.245 nan 8.210 nan 0.000 0.433 100 W N 4.911 126.341 121.300 0.217 0.000 2.543 100 W HA 0.474 5.134 4.660 -0.001 0.000 0.318 100 W C -1.379 175.281 176.519 0.235 0.000 1.002 100 W CA -0.471 57.011 57.345 0.227 0.000 1.302 100 W CB 1.990 31.559 29.460 0.182 0.000 1.299 100 W HN 0.055 nan 8.180 nan 0.000 0.424 101 V N 5.417 125.596 119.914 0.441 0.000 2.394 101 V HA 0.289 4.409 4.120 -0.000 0.000 0.282 101 V C -1.866 174.428 176.094 0.334 0.000 1.031 101 V CA -2.066 60.462 62.300 0.381 0.000 0.881 101 V CB 1.563 33.655 31.823 0.449 0.000 0.982 101 V HN 0.212 nan 8.190 nan 0.000 0.451 102 P HA 0.180 nan 4.420 nan 0.000 0.271 102 P C -0.602 176.827 177.300 0.215 0.000 1.233 102 P CA -0.012 63.231 63.100 0.238 0.000 0.789 102 P CB 0.587 32.390 31.700 0.172 0.000 0.951 103 S N 0.604 116.427 115.700 0.204 0.000 2.532 103 S HA 0.600 5.070 4.470 -0.000 0.000 0.299 103 S C -2.542 172.142 174.600 0.139 0.000 1.105 103 S CA -1.460 56.840 58.200 0.167 0.000 1.018 103 S CB -0.143 63.156 63.200 0.164 0.000 1.021 103 S HN 0.202 nan 8.310 nan 0.000 0.483 104 P HA 0.190 nan 4.420 nan 0.000 0.269 104 P C -0.644 176.723 177.300 0.112 0.000 1.215 104 P CA -0.446 62.712 63.100 0.098 0.000 0.780 104 P CB 0.339 32.082 31.700 0.072 0.000 0.898 105 R N 3.028 123.600 120.500 0.121 0.000 2.446 105 R HA 0.085 4.424 4.340 -0.000 0.000 0.325 105 R C -2.035 174.326 176.300 0.102 0.000 0.997 105 R CA -0.950 55.231 56.100 0.135 0.000 1.010 105 R CB -0.441 29.943 30.300 0.140 0.000 0.946 105 R HN 0.362 nan 8.270 nan 0.000 0.422 106 P HA 0.231 nan 4.420 nan 0.000 0.297 106 P C -1.281 176.060 177.300 0.068 0.000 1.303 106 P CA -0.417 62.727 63.100 0.074 0.000 0.753 106 P CB 0.545 32.288 31.700 0.071 0.000 1.281 107 K N -0.990 119.439 120.400 0.049 0.000 2.464 107 K HA 0.509 4.829 4.320 -0.000 0.000 0.253 107 K C -0.764 175.852 176.600 0.025 0.000 0.933 107 K CA -0.451 55.859 56.287 0.038 0.000 0.801 107 K CB 0.728 33.245 32.500 0.027 0.000 1.271 107 K HN 0.363 nan 8.250 nan 0.000 0.430 108 S N 0.752 116.461 115.700 0.016 0.000 3.550 108 S HA -0.166 4.304 4.470 -0.000 0.000 0.372 108 S C -0.190 174.418 174.600 0.012 0.000 0.966 108 S CA 1.339 59.540 58.200 0.003 0.000 1.229 108 S CB -1.436 61.759 63.200 -0.009 0.000 0.917 108 S HN 0.714 nan 8.310 nan 0.000 0.496 109 T N 1.074 115.644 114.554 0.028 0.000 2.952 109 T HA 0.503 4.852 4.350 -0.000 0.000 0.286 109 T C 0.475 175.193 174.700 0.029 0.000 1.024 109 T CA -0.214 61.904 62.100 0.030 0.000 1.029 109 T CB 0.899 69.795 68.868 0.047 0.000 1.094 109 T HN 0.287 nan 8.240 nan 0.000 0.515 110 T N 2.671 117.236 114.554 0.019 0.000 2.866 110 T HA 0.235 4.585 4.350 -0.000 0.000 0.293 110 T C -0.078 174.644 174.700 0.037 0.000 1.005 110 T CA -0.166 61.942 62.100 0.013 0.000 1.162 110 T CB 0.048 68.911 68.868 -0.008 0.000 0.968 110 T HN 0.397 nan 8.240 nan 0.000 0.530 111 V N 5.360 125.301 119.914 0.045 0.000 2.547 111 V HA 0.507 4.627 4.120 -0.000 0.000 0.299 111 V C 0.128 176.269 176.094 0.078 0.000 1.040 111 V CA -0.725 61.622 62.300 0.078 0.000 0.913 111 V CB 1.669 33.544 31.823 0.087 0.000 0.992 111 V HN 0.851 nan 8.190 nan 0.000 0.449 112 M N 4.443 124.108 119.600 0.108 0.000 2.106 112 M HA 0.437 4.917 4.480 -0.000 0.000 0.288 112 M C -1.300 175.199 176.300 0.331 0.000 0.941 112 M CA -0.482 54.880 55.300 0.104 0.000 0.934 112 M CB 2.020 34.548 32.600 -0.120 0.000 1.551 112 M HN 0.352 nan 8.290 nan 0.000 0.437 113 V N 3.442 123.592 119.914 0.394 0.000 2.364 113 V HA 0.281 4.401 4.120 -0.000 0.000 0.272 113 V C -0.502 175.952 176.094 0.600 0.000 1.036 113 V CA -0.496 62.061 62.300 0.428 0.000 0.880 113 V CB 0.951 32.896 31.823 0.204 0.000 0.991 113 V HN 0.842 nan 8.190 nan 0.000 0.460 114 W N 7.060 128.550 121.300 0.316 0.000 2.351 114 W HA 0.614 5.274 4.660 -0.001 0.000 0.311 114 W C -1.250 175.155 176.519 -0.190 0.000 1.168 114 W CA -0.848 56.364 57.345 -0.221 0.000 1.200 114 W CB 1.195 30.542 29.460 -0.188 0.000 1.221 114 W HN 0.434 nan 8.180 nan 0.000 0.519 115 I N 9.370 129.283 120.570 -1.097 0.000 2.437 115 I HA 0.045 4.215 4.170 -0.000 0.000 0.279 115 I C -0.314 174.971 176.117 -1.387 0.000 1.028 115 I CA -1.120 59.612 61.300 -0.946 0.000 1.142 115 I CB 0.519 38.191 38.000 -0.546 0.000 1.266 115 I HN 0.293 nan 8.210 nan 0.000 0.461 116 Y N 4.376 124.084 120.300 -0.986 0.000 2.683 116 Y HA 0.502 5.052 4.550 -0.000 0.000 0.340 116 Y C 0.828 176.536 175.900 -0.319 0.000 1.245 116 Y CA -0.747 56.943 58.100 -0.684 0.000 1.485 116 Y CB -0.255 38.083 38.460 -0.204 0.000 1.328 116 Y HN 0.527 nan 8.280 nan 0.000 0.603 117 G N -0.268 108.557 108.800 0.042 0.000 2.543 117 G HA2 0.490 4.450 3.960 -0.000 0.000 0.267 117 G HA3 0.490 4.450 3.960 -0.000 0.000 0.267 117 G C 0.383 175.262 174.900 -0.034 0.000 1.406 117 G CA -0.872 44.207 45.100 -0.036 0.000 1.048 117 G HN 1.758 nan 8.290 nan 0.000 0.548 118 G N -2.943 105.694 108.800 -0.271 0.000 2.207 118 G HA2 0.402 4.362 3.960 -0.000 0.000 0.193 118 G HA3 0.402 4.362 3.960 -0.000 0.000 0.193 118 G C 1.065 175.484 174.900 -0.802 0.000 1.050 118 G CA 0.700 45.510 45.100 -0.483 0.000 0.780 118 G HN 2.304 nan 8.290 nan 0.000 0.504 119 G N -0.515 107.827 108.800 -0.764 0.000 2.212 119 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.267 119 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.267 119 G C 0.954 175.646 174.900 -0.346 0.000 1.002 119 G CA 0.922 45.406 45.100 -1.026 0.000 0.729 119 G HN 1.756 nan 8.290 nan 0.000 0.517 120 F N -3.559 116.351 119.950 -0.067 0.000 2.748 120 F HA -0.314 4.213 4.527 -0.000 0.000 0.370 120 F C 1.488 177.453 175.800 0.276 0.000 0.620 120 F CA 2.150 60.261 58.000 0.185 0.000 1.233 120 F CB -2.048 36.975 39.000 0.038 0.000 1.708 120 F HN 0.888 nan 8.300 nan 0.000 0.298 121 Y N -0.951 119.475 120.300 0.210 0.000 2.445 121 Y HA 0.662 5.212 4.550 -0.000 0.000 0.247 121 Y C 0.654 176.665 175.900 0.186 0.000 1.129 121 Y CA 0.272 58.492 58.100 0.201 0.000 1.251 121 Y CB -0.007 38.481 38.460 0.047 0.000 1.176 121 Y HN 0.080 nan 8.280 nan 0.000 0.522 122 S N -0.795 114.624 115.700 -0.469 0.000 2.688 122 S HA 0.912 5.381 4.470 -0.000 0.000 0.275 122 S C -0.241 174.167 174.600 -0.320 0.000 1.175 122 S CA -0.513 57.489 58.200 -0.329 0.000 0.818 122 S CB 1.583 64.520 63.200 -0.439 0.000 1.157 122 S HN 1.236 nan 8.310 nan 0.000 0.482 123 G N -0.440 108.148 108.800 -0.355 0.000 2.317 123 G HA2 0.445 4.405 3.960 -0.000 0.000 0.445 123 G HA3 0.445 4.405 3.960 -0.000 0.000 0.445 123 G C -1.217 173.095 174.900 -0.981 0.000 1.486 123 G CA -0.316 44.393 45.100 -0.652 0.000 0.991 123 G HN 1.350 nan 8.290 nan 0.000 0.660 124 S N -1.120 113.941 115.700 -1.066 0.000 2.535 124 S HA 0.626 5.096 4.470 -0.000 0.000 0.272 124 S C 0.786 175.268 174.600 -0.197 0.000 1.149 124 S CA 0.126 57.952 58.200 -0.624 0.000 0.888 124 S CB 1.722 64.756 63.200 -0.276 0.000 1.110 124 S HN 1.915 nan 8.310 nan 0.000 0.463 125 S N -0.114 115.671 115.700 0.141 0.000 2.558 125 S HA -0.025 4.444 4.470 -0.000 0.000 0.217 125 S C 1.291 176.042 174.600 0.253 0.000 0.975 125 S CA 0.741 59.211 58.200 0.451 0.000 0.912 125 S CB -0.505 62.998 63.200 0.506 0.000 0.776 125 S HN 0.843 nan 8.310 nan 0.000 0.526 126 T N 0.098 114.611 114.554 -0.068 0.000 3.145 126 T HA 0.430 4.780 4.350 -0.000 0.000 0.255 126 T C 0.422 174.850 174.700 -0.454 0.000 1.039 126 T CA -0.592 61.161 62.100 -0.578 0.000 0.928 126 T CB -0.537 67.848 68.868 -0.805 0.000 1.029 126 T HN 0.290 nan 8.240 nan 0.000 0.554 127 L N 1.529 122.617 121.223 -0.225 0.000 2.473 127 L HA 0.236 4.576 4.340 -0.000 0.000 0.268 127 L C 1.331 177.995 176.870 -0.343 0.000 1.215 127 L CA -0.606 54.016 54.840 -0.363 0.000 0.823 127 L CB 0.385 42.070 42.059 -0.624 0.000 1.099 127 L HN 0.078 nan 8.230 nan 0.000 0.483 128 D N 0.802 120.996 120.400 -0.343 0.000 2.097 128 D HA -0.153 4.487 4.640 -0.000 0.000 0.195 128 D C 1.986 178.089 176.300 -0.329 0.000 0.989 128 D CA 0.963 54.819 54.000 -0.240 0.000 0.827 128 D CB 0.020 40.691 40.800 -0.216 0.000 0.966 128 D HN 0.358 nan 8.370 nan 0.000 0.456 129 V N 0.432 120.013 119.914 -0.554 0.000 2.828 129 V HA -0.237 3.883 4.120 -0.000 0.000 0.260 129 V C 0.526 176.152 176.094 -0.780 0.000 1.101 129 V CA 1.372 63.284 62.300 -0.647 0.000 1.123 129 V CB -0.521 30.786 31.823 -0.859 0.000 0.704 129 V HN 0.187 nan 8.190 nan 0.000 0.493 130 Y N -0.419 119.444 120.300 -0.728 0.000 2.708 130 Y HA 0.427 4.976 4.550 -0.000 0.000 0.287 130 Y C 0.773 176.291 175.900 -0.637 0.000 1.145 130 Y CA -1.520 55.869 58.100 -1.186 0.000 1.249 130 Y CB -0.816 37.218 38.460 -0.710 0.000 1.152 130 Y HN 0.177 nan 8.280 nan 0.000 0.532 131 N N 1.262 119.820 118.700 -0.238 0.000 2.431 131 N HA 0.029 4.769 4.740 -0.000 0.000 0.265 131 N C 1.249 176.549 175.510 -0.351 0.000 1.184 131 N CA 0.464 53.402 53.050 -0.186 0.000 0.943 131 N CB 1.414 39.905 38.487 0.007 0.000 1.080 131 N HN 0.541 nan 8.380 nan 0.000 0.477 132 G N 3.225 111.348 108.800 -1.129 0.000 2.920 132 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.208 132 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.208 132 G C 1.422 175.795 174.900 -0.880 0.000 1.159 132 G CA 0.246 44.828 45.100 -0.862 0.000 0.784 132 G HN 0.751 nan 8.290 nan 0.000 0.535 133 K N -0.447 119.293 120.400 -1.100 0.000 2.147 133 K HA -0.149 4.171 4.320 -0.000 0.000 0.205 133 K C 1.708 178.153 176.600 -0.258 0.000 1.049 133 K CA 1.155 57.136 56.287 -0.510 0.000 0.936 133 K CB -0.489 31.800 32.500 -0.351 0.000 0.722 133 K HN 0.342 nan 8.250 nan 0.000 0.446 134 Y N 1.025 121.286 120.300 -0.066 0.000 2.184 134 Y HA -0.106 4.443 4.550 -0.000 0.000 0.290 134 Y C 2.363 178.295 175.900 0.054 0.000 1.129 134 Y CA 0.660 58.777 58.100 0.029 0.000 1.144 134 Y CB -0.581 37.866 38.460 -0.023 0.000 0.995 134 Y HN -0.004 nan 8.280 nan 0.000 0.513 135 L N 0.366 121.665 121.223 0.127 0.000 1.994 135 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 135 L C 2.418 179.319 176.870 0.051 0.000 1.071 135 L CA 2.015 56.869 54.840 0.023 0.000 0.745 135 L CB -1.216 40.771 42.059 -0.120 0.000 0.892 135 L HN 0.168 nan 8.230 nan 0.000 0.431 136 A N -1.651 121.211 122.820 0.069 0.000 1.940 136 A HA -0.292 4.027 4.320 -0.000 0.000 0.219 136 A C 2.267 179.946 177.584 0.159 0.000 1.176 136 A CA 2.012 54.130 52.037 0.135 0.000 0.631 136 A CB -1.081 18.057 19.000 0.231 0.000 0.814 136 A HN 0.649 nan 8.150 nan 0.000 0.446 137 Y N 0.895 121.231 120.300 0.060 0.000 2.114 137 Y HA -0.119 4.431 4.550 -0.000 0.000 0.284 137 Y C 2.669 178.604 175.900 0.058 0.000 1.119 137 Y CA 2.331 60.469 58.100 0.063 0.000 1.108 137 Y CB -0.797 37.685 38.460 0.038 0.000 0.995 137 Y HN 0.266 nan 8.280 nan 0.000 0.491 138 T N 0.631 115.160 114.554 -0.042 0.000 2.759 138 T HA -0.141 4.209 4.350 -0.000 0.000 0.269 138 T C 1.233 175.861 174.700 -0.119 0.000 1.042 138 T CA 1.766 63.780 62.100 -0.143 0.000 1.140 138 T CB -0.149 68.748 68.868 0.047 0.000 0.864 138 T HN 0.336 nan 8.240 nan 0.000 0.455 139 E N 0.655 120.835 120.200 -0.034 0.000 2.476 139 E HA 0.110 4.460 4.350 -0.000 0.000 0.196 139 E C -0.083 176.517 176.600 0.000 0.000 1.029 139 E CA -0.024 56.381 56.400 0.009 0.000 0.896 139 E CB -0.000 29.728 29.700 0.047 0.000 1.012 139 E HN 0.607 nan 8.360 nan 0.000 0.475 140 E N 0.362 120.546 120.200 -0.027 0.000 2.332 140 E HA -0.174 4.175 4.350 -0.000 0.000 0.162 140 E C -0.200 176.426 176.600 0.043 0.000 1.637 140 E CA 0.448 56.850 56.400 0.004 0.000 0.654 140 E CB -1.622 28.068 29.700 -0.018 0.000 1.072 140 E HN 0.127 nan 8.360 nan 0.000 0.336 141 V N -3.029 116.929 119.914 0.072 0.000 3.130 141 V HA 0.631 4.751 4.120 -0.000 0.000 0.310 141 V C 0.032 176.207 176.094 0.134 0.000 1.158 141 V CA -1.185 61.164 62.300 0.081 0.000 1.029 141 V CB 2.449 34.301 31.823 0.049 0.000 1.057 141 V HN -0.010 nan 8.190 nan 0.000 0.436 142 V N 3.968 123.965 119.914 0.139 0.000 2.304 142 V HA 0.286 4.406 4.120 -0.000 0.000 0.262 142 V C 0.087 176.308 176.094 0.212 0.000 1.061 142 V CA -0.312 62.102 62.300 0.189 0.000 0.872 142 V CB 0.743 32.662 31.823 0.161 0.000 1.077 142 V HN 0.739 nan 8.190 nan 0.000 0.480 143 L N 7.128 128.522 121.223 0.286 0.000 2.313 143 L HA 0.495 4.835 4.340 -0.000 0.000 0.282 143 L C -0.260 176.895 176.870 0.475 0.000 1.092 143 L CA 0.616 55.660 54.840 0.339 0.000 0.831 143 L CB 1.481 43.714 42.059 0.290 0.000 1.159 143 L HN 0.345 nan 8.230 nan 0.000 0.442 144 V N 4.090 124.266 119.914 0.436 0.000 2.628 144 V HA 0.562 4.682 4.120 -0.000 0.000 0.306 144 V C -0.069 176.326 176.094 0.503 0.000 1.045 144 V CA -0.651 61.901 62.300 0.419 0.000 0.905 144 V CB 2.176 34.158 31.823 0.265 0.000 0.997 144 V HN 0.904 nan 8.190 nan 0.000 0.436 145 S N 4.545 120.555 115.700 0.516 0.000 2.707 145 S HA 0.760 5.230 4.470 -0.000 0.000 0.312 145 S C -0.790 174.031 174.600 0.368 0.000 1.116 145 S CA -0.760 57.754 58.200 0.524 0.000 1.078 145 S CB 1.268 64.879 63.200 0.686 0.000 0.997 145 S HN 0.735 nan 8.310 nan 0.000 0.477 146 L N 1.156 122.518 121.223 0.231 0.000 2.569 146 L HA 0.999 5.339 4.340 -0.000 0.000 0.247 146 L C 0.060 177.046 176.870 0.194 0.000 1.135 146 L CA -0.516 54.431 54.840 0.177 0.000 0.812 146 L CB 0.226 42.287 42.059 0.004 0.000 1.431 146 L HN 0.845 nan 8.230 nan 0.000 0.499 147 S N -1.567 114.302 115.700 0.281 0.000 2.579 147 S HA 0.857 5.327 4.470 -0.000 0.000 0.272 147 S C -1.251 173.544 174.600 0.325 0.000 1.141 147 S CA -0.548 57.799 58.200 0.245 0.000 0.843 147 S CB 1.346 64.763 63.200 0.362 0.000 1.122 147 S HN 1.170 nan 8.310 nan 0.000 0.468 148 Y N -1.483 118.939 120.300 0.203 0.000 2.609 148 Y HA 0.721 5.271 4.550 -0.000 0.000 0.336 148 Y C -0.529 175.490 175.900 0.199 0.000 1.129 148 Y CA -1.461 56.744 58.100 0.174 0.000 1.040 148 Y CB 0.725 39.249 38.460 0.108 0.000 1.310 148 Y HN 0.771 nan 8.280 nan 0.000 0.460 149 R N 1.400 122.044 120.500 0.241 0.000 2.643 149 R HA 0.538 4.878 4.340 -0.000 0.000 0.270 149 R C -0.417 176.040 176.300 0.260 0.000 1.061 149 R CA -0.058 56.131 56.100 0.149 0.000 1.107 149 R CB 0.917 31.256 30.300 0.066 0.000 0.999 149 R HN 0.712 nan 8.270 nan 0.000 0.460 150 V N -0.900 119.199 119.914 0.307 0.000 3.141 150 V HA 0.898 5.018 4.120 -0.000 0.000 0.312 150 V C 0.447 176.845 176.094 0.507 0.000 1.157 150 V CA -0.189 62.403 62.300 0.486 0.000 1.041 150 V CB 1.290 33.342 31.823 0.382 0.000 1.071 150 V HN 0.999 nan 8.190 nan 0.000 0.441 151 G N 0.635 109.773 108.800 0.563 0.000 2.641 151 G HA2 0.106 4.065 3.960 -0.000 0.000 0.254 151 G HA3 0.106 4.065 3.960 -0.000 0.000 0.254 151 G C 0.992 176.017 174.900 0.209 0.000 1.315 151 G CA 0.904 46.272 45.100 0.447 0.000 0.907 151 G HN 2.326 nan 8.290 nan 0.000 0.572 152 A N -1.182 121.484 122.820 -0.256 0.000 1.915 152 A HA 0.022 4.341 4.320 -0.000 0.000 0.220 152 A C 2.265 179.747 177.584 -0.169 0.000 1.198 152 A CA 3.042 54.608 52.037 -0.786 0.000 0.647 152 A CB -0.695 17.739 19.000 -0.943 0.000 0.825 152 A HN 1.217 nan 8.150 nan 0.000 0.456 153 F N -0.033 120.009 119.950 0.153 0.000 2.115 153 F HA -0.137 4.390 4.527 -0.001 0.000 0.300 153 F C 2.507 178.325 175.800 0.029 0.000 1.092 153 F CA 1.303 59.343 58.000 0.067 0.000 1.245 153 F CB -1.052 37.928 39.000 -0.034 0.000 0.995 153 F HN 0.288 nan 8.300 nan 0.000 0.481 154 G N -2.757 106.116 108.800 0.120 0.000 2.921 154 G HA2 0.093 4.053 3.960 -0.000 0.000 0.213 154 G HA3 0.093 4.053 3.960 -0.000 0.000 0.213 154 G C 0.635 175.013 174.900 -0.870 0.000 1.143 154 G CA 0.094 45.002 45.100 -0.320 0.000 0.764 154 G HN 0.338 nan 8.290 nan 0.000 0.542 155 F N -0.545 119.477 119.950 0.119 0.000 2.901 155 F HA 0.402 4.928 4.527 -0.000 0.000 0.329 155 F C 0.130 175.915 175.800 -0.026 0.000 1.185 155 F CA -1.190 56.842 58.000 0.053 0.000 1.114 155 F CB 0.336 39.389 39.000 0.089 0.000 1.199 155 F HN -0.096 nan 8.300 nan 0.000 0.513 156 L N 2.382 123.524 121.223 -0.135 0.000 2.540 156 L HA 0.482 4.822 4.340 -0.000 0.000 0.276 156 L C 0.166 176.939 176.870 -0.160 0.000 1.212 156 L CA 0.024 54.630 54.840 -0.389 0.000 0.893 156 L CB 0.230 41.768 42.059 -0.869 0.000 1.138 156 L HN 0.195 nan 8.230 nan 0.000 0.491 157 A N 6.958 129.747 122.820 -0.052 0.000 2.410 157 A HA 0.588 4.907 4.320 -0.000 0.000 0.289 157 A C -0.792 176.796 177.584 0.006 0.000 1.200 157 A CA -0.470 51.569 52.037 0.005 0.000 0.751 157 A CB 0.404 19.448 19.000 0.074 0.000 1.161 157 A HN 0.701 nan 8.150 nan 0.000 0.459 158 L N 3.503 124.717 121.223 -0.015 0.000 2.603 158 L HA 0.223 4.563 4.340 -0.000 0.000 0.242 158 L C 0.081 176.979 176.870 0.047 0.000 1.169 158 L CA -0.796 54.044 54.840 -0.000 0.000 1.029 158 L CB 0.110 42.137 42.059 -0.053 0.000 1.361 158 L HN 0.866 nan 8.230 nan 0.000 0.439 159 H N 1.700 120.767 119.070 -0.006 0.000 3.187 159 H HA 0.225 4.781 4.556 -0.000 0.000 0.286 159 H C 0.984 176.316 175.328 0.007 0.000 0.944 159 H CA 1.492 57.545 56.048 0.008 0.000 1.429 159 H CB 0.520 30.292 29.762 0.017 0.000 1.483 159 H HN 0.703 nan 8.280 nan 0.000 0.555 160 G N 2.622 111.179 108.800 -0.405 0.000 3.180 160 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.197 160 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.197 160 G C 0.506 175.315 174.900 -0.152 0.000 1.149 160 G CA 0.019 44.938 45.100 -0.300 0.000 0.847 160 G HN 0.853 nan 8.290 nan 0.000 0.469 161 S N 0.023 115.670 115.700 -0.087 0.000 2.589 161 S HA 0.479 4.949 4.470 -0.000 0.000 0.265 161 S C 1.059 175.642 174.600 -0.028 0.000 1.342 161 S CA 0.794 58.968 58.200 -0.043 0.000 1.005 161 S CB 1.184 64.369 63.200 -0.026 0.000 0.909 161 S HN 0.300 nan 8.310 nan 0.000 0.555 162 Q N 0.424 120.221 119.800 -0.005 0.000 2.246 162 Q HA 0.209 4.549 4.340 -0.000 0.000 0.222 162 Q C 1.220 177.241 176.000 0.034 0.000 0.851 162 Q CA 0.089 55.900 55.803 0.013 0.000 0.945 162 Q CB 0.320 29.066 28.738 0.012 0.000 1.122 162 Q HN 0.669 nan 8.270 nan 0.000 0.508 163 E N 0.713 120.934 120.200 0.036 0.000 2.086 163 E HA 0.077 4.427 4.350 -0.000 0.000 0.190 163 E C 0.296 176.948 176.600 0.086 0.000 0.975 163 E CA 0.689 57.129 56.400 0.066 0.000 0.813 163 E CB 0.406 30.148 29.700 0.069 0.000 0.768 163 E HN 0.100 nan 8.360 nan 0.000 0.457 164 A N 2.021 124.859 122.820 0.029 0.000 3.258 164 A HA 0.287 4.606 4.320 -0.000 0.000 0.318 164 A C -1.916 175.660 177.584 -0.014 0.000 0.990 164 A CA -0.989 51.035 52.037 -0.021 0.000 0.885 164 A CB 0.525 19.400 19.000 -0.208 0.000 1.090 164 A HN -0.078 nan 8.150 nan 0.000 0.479 165 P HA 0.079 nan 4.420 nan 0.000 0.226 165 P C 0.905 178.260 177.300 0.091 0.000 1.153 165 P CA 1.792 64.932 63.100 0.068 0.000 0.777 165 P CB 0.137 31.880 31.700 0.072 0.000 0.794 166 G N 0.730 109.562 108.800 0.053 0.000 2.707 166 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.686 166 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.686 166 G C -0.023 174.911 174.900 0.057 0.000 1.315 166 G CA -0.268 44.874 45.100 0.070 0.000 0.832 166 G HN 0.142 nan 8.290 nan 0.000 0.573 167 N N -2.290 116.482 118.700 0.121 0.000 2.732 167 N HA -0.310 4.430 4.740 -0.000 0.000 0.250 167 N C 2.067 177.508 175.510 -0.116 0.000 1.097 167 N CA 2.548 55.618 53.050 0.034 0.000 0.812 167 N CB -1.655 36.701 38.487 -0.217 0.000 1.148 167 N HN 1.894 nan 8.380 nan 0.000 0.572 168 V N -2.423 117.405 119.914 -0.144 0.000 2.332 168 V HA -0.136 3.984 4.120 -0.000 0.000 0.248 168 V C 2.448 178.436 176.094 -0.177 0.000 1.055 168 V CA 2.511 64.745 62.300 -0.109 0.000 1.038 168 V CB -1.276 30.513 31.823 -0.057 0.000 0.651 168 V HN 0.277 nan 8.190 nan 0.000 0.450 169 G N 0.330 108.818 108.800 -0.519 0.000 2.469 169 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.219 169 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.219 169 G C 1.615 176.490 174.900 -0.041 0.000 1.150 169 G CA 1.435 46.298 45.100 -0.395 0.000 0.763 169 G HN 0.549 nan 8.290 nan 0.000 0.561 170 L N -0.261 120.950 121.223 -0.021 0.000 2.093 170 L HA 0.068 4.408 4.340 -0.000 0.000 0.208 170 L C 2.887 179.835 176.870 0.130 0.000 1.085 170 L CA 0.359 55.185 54.840 -0.023 0.000 0.755 170 L CB -0.282 41.522 42.059 -0.425 0.000 0.904 170 L HN 0.197 nan 8.230 nan 0.000 0.435 171 L N -0.523 120.761 121.223 0.102 0.000 2.131 171 L HA -0.239 4.100 4.340 -0.000 0.000 0.210 171 L C 2.146 179.112 176.870 0.159 0.000 1.092 171 L CA 0.968 55.918 54.840 0.183 0.000 0.759 171 L CB -0.616 41.525 42.059 0.136 0.000 0.903 171 L HN 0.284 nan 8.230 nan 0.000 0.435 172 D N -0.067 120.423 120.400 0.149 0.000 2.104 172 D HA -0.207 4.433 4.640 -0.000 0.000 0.194 172 D C 2.323 178.721 176.300 0.163 0.000 0.994 172 D CA 1.212 55.351 54.000 0.231 0.000 0.830 172 D CB -0.184 40.787 40.800 0.284 0.000 0.959 172 D HN 0.425 nan 8.370 nan 0.000 0.452 173 Q N 0.049 119.923 119.800 0.124 0.000 2.124 173 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 173 Q C 2.260 178.204 176.000 -0.094 0.000 0.977 173 Q CA 0.862 56.667 55.803 0.004 0.000 0.850 173 Q CB -0.088 28.682 28.738 0.054 0.000 0.901 173 Q HN 0.229 nan 8.270 nan 0.000 0.429 174 R N 0.905 121.431 120.500 0.043 0.000 2.081 174 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 174 R C 2.222 178.501 176.300 -0.034 0.000 1.131 174 R CA 1.380 57.482 56.100 0.004 0.000 0.960 174 R CB -0.156 30.237 30.300 0.156 0.000 0.856 174 R HN 0.276 nan 8.270 nan 0.000 0.436 175 M N -0.082 119.517 119.600 -0.002 0.000 2.229 175 M HA -0.083 4.396 4.480 -0.000 0.000 0.264 175 M C 1.996 178.200 176.300 -0.161 0.000 1.063 175 M CA 1.745 57.054 55.300 0.015 0.000 1.114 175 M CB 0.013 32.704 32.600 0.152 0.000 1.387 175 M HN 0.325 nan 8.290 nan 0.000 0.420 176 A N 0.514 123.008 122.820 -0.543 0.000 1.897 176 A HA -0.090 4.229 4.320 -0.000 0.000 0.215 176 A C 1.936 179.377 177.584 -0.239 0.000 1.181 176 A CA 1.168 52.680 52.037 -0.875 0.000 0.620 176 A CB -0.869 17.427 19.000 -1.173 0.000 0.821 176 A HN 0.558 nan 8.150 nan 0.000 0.443 177 L N -0.883 120.235 121.223 -0.175 0.000 2.131 177 L HA -0.233 4.106 4.340 -0.000 0.000 0.210 177 L C 2.821 179.718 176.870 0.044 0.000 1.092 177 L CA 1.636 56.440 54.840 -0.059 0.000 0.759 177 L CB -0.396 41.586 42.059 -0.129 0.000 0.903 177 L HN 0.466 nan 8.230 nan 0.000 0.435 178 Q N -0.471 119.352 119.800 0.038 0.000 2.079 178 Q HA -0.238 4.101 4.340 -0.000 0.000 0.200 178 Q C 1.958 178.064 176.000 0.176 0.000 0.974 178 Q CA 1.820 57.679 55.803 0.094 0.000 0.840 178 Q CB -0.452 28.330 28.738 0.073 0.000 0.898 178 Q HN 0.461 nan 8.270 nan 0.000 0.430 179 W N -0.443 120.853 121.300 -0.006 0.000 2.332 179 W HA -0.212 4.448 4.660 -0.000 0.000 0.321 179 W C 1.951 178.485 176.519 0.026 0.000 1.219 179 W CA 2.038 59.400 57.345 0.028 0.000 1.277 179 W CB -0.479 28.989 29.460 0.014 0.000 1.161 179 W HN 0.000 nan 8.180 nan 0.000 0.476 180 V N 0.416 120.565 119.914 0.393 0.000 2.370 180 V HA -0.414 3.706 4.120 -0.000 0.000 0.252 180 V C 2.214 178.326 176.094 0.030 0.000 1.068 180 V CA 2.472 64.914 62.300 0.236 0.000 1.061 180 V CB -1.462 30.474 31.823 0.188 0.000 0.656 180 V HN 0.376 nan 8.190 nan 0.000 0.455 181 H N 0.986 120.034 119.070 -0.037 0.000 2.290 181 H HA -0.163 4.393 4.556 -0.001 0.000 0.298 181 H C 1.994 177.214 175.328 -0.180 0.000 1.087 181 H CA 2.284 58.283 56.048 -0.082 0.000 1.291 181 H CB -0.203 29.530 29.762 -0.049 0.000 1.369 181 H HN 0.481 nan 8.280 nan 0.000 0.492 182 D N -0.817 119.417 120.400 -0.276 0.000 2.323 182 D HA -0.049 4.590 4.640 -0.000 0.000 0.209 182 D C 0.929 176.898 176.300 -0.551 0.000 0.973 182 D CA 0.562 54.324 54.000 -0.396 0.000 0.874 182 D CB 0.117 40.780 40.800 -0.228 0.000 0.930 182 D HN 0.494 nan 8.370 nan 0.000 0.521 183 N N 0.013 118.313 118.700 -0.666 0.000 2.239 183 N HA 0.028 4.768 4.740 -0.000 0.000 0.208 183 N C 1.566 176.890 175.510 -0.310 0.000 1.200 183 N CA -0.201 52.462 53.050 -0.645 0.000 0.895 183 N CB 0.898 38.661 38.487 -1.208 0.000 1.085 183 N HN 0.019 nan 8.380 nan 0.000 0.500 184 I N 2.990 123.417 120.570 -0.238 0.000 2.567 184 I HA -0.237 3.933 4.170 -0.000 0.000 0.257 184 I C 2.504 178.640 176.117 0.031 0.000 1.184 184 I CA 1.303 62.615 61.300 0.020 0.000 1.451 184 I CB -0.192 37.809 38.000 0.001 0.000 1.089 184 I HN 0.200 nan 8.210 nan 0.000 0.441 185 Q N -0.718 118.923 119.800 -0.264 0.000 2.224 185 Q HA -0.208 4.132 4.340 -0.000 0.000 0.203 185 Q C 1.587 177.490 176.000 -0.162 0.000 0.970 185 Q CA 1.452 57.093 55.803 -0.269 0.000 0.865 185 Q CB -0.739 27.727 28.738 -0.453 0.000 0.922 185 Q HN 0.408 nan 8.270 nan 0.000 0.445 186 F N -0.297 119.626 119.950 -0.045 0.000 2.771 186 F HA 0.122 4.649 4.527 -0.001 0.000 0.299 186 F C 0.471 176.004 175.800 -0.444 0.000 1.177 186 F CA 0.180 58.039 58.000 -0.235 0.000 1.450 186 F CB -0.074 38.724 39.000 -0.337 0.000 1.114 186 F HN 0.033 nan 8.300 nan 0.000 0.587 187 F N -0.994 118.978 119.950 0.036 0.000 2.729 187 F HA 0.454 4.980 4.527 -0.000 0.000 0.315 187 F C 1.619 177.431 175.800 0.021 0.000 1.102 187 F CA 0.015 58.005 58.000 -0.016 0.000 1.204 187 F CB 0.380 39.329 39.000 -0.085 0.000 1.052 187 F HN -0.025 nan 8.300 nan 0.000 0.551 188 G N 0.421 109.306 108.800 0.143 0.000 2.157 188 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.239 188 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.239 188 G C 0.597 175.549 174.900 0.088 0.000 0.982 188 G CA -0.247 44.914 45.100 0.101 0.000 0.650 188 G HN 0.725 nan 8.290 nan 0.000 0.527 189 G N -0.544 108.312 108.800 0.093 0.000 2.476 189 G HA2 0.501 4.461 3.960 -0.000 0.000 0.286 189 G HA3 0.501 4.461 3.960 -0.000 0.000 0.286 189 G C -0.790 174.109 174.900 -0.002 0.000 1.177 189 G CA 0.267 45.402 45.100 0.059 0.000 0.870 189 G HN 0.281 nan 8.290 nan 0.000 0.528 190 D N 1.133 121.532 120.400 -0.002 0.000 2.472 190 D HA 0.324 4.964 4.640 -0.000 0.000 0.234 190 D C -0.976 175.308 176.300 -0.026 0.000 1.088 190 D CA -2.282 51.701 54.000 -0.028 0.000 0.882 190 D CB 1.751 42.542 40.800 -0.015 0.000 1.037 190 D HN 0.053 nan 8.370 nan 0.000 0.520 191 P HA -0.199 nan 4.420 nan 0.000 0.220 191 P C 0.456 177.772 177.300 0.027 0.000 1.144 191 P CA 1.003 64.077 63.100 -0.044 0.000 0.800 191 P CB -0.000 31.569 31.700 -0.218 0.000 0.772 192 K N -0.995 119.403 120.400 -0.004 0.000 2.437 192 K HA 0.178 4.498 4.320 -0.000 0.000 0.198 192 K C -0.140 176.462 176.600 0.003 0.000 1.024 192 K CA 0.163 56.455 56.287 0.008 0.000 1.148 192 K CB -0.310 32.182 32.500 -0.014 0.000 0.860 192 K HN -0.136 nan 8.250 nan 0.000 0.515 193 T N 1.084 115.646 114.554 0.014 0.000 3.954 193 T HA 0.182 4.532 4.350 -0.000 0.000 0.226 193 T C -0.998 173.722 174.700 0.034 0.000 1.049 193 T CA -0.558 61.546 62.100 0.007 0.000 1.481 193 T CB 0.758 69.618 68.868 -0.013 0.000 0.853 193 T HN -0.055 nan 8.240 nan 0.000 0.632 194 V N 1.700 121.661 119.914 0.079 0.000 2.435 194 V HA 0.570 4.690 4.120 -0.000 0.000 0.290 194 V C 0.294 176.488 176.094 0.166 0.000 1.030 194 V CA -0.497 61.876 62.300 0.121 0.000 0.881 194 V CB 1.798 33.717 31.823 0.159 0.000 0.983 194 V HN 0.490 nan 8.190 nan 0.000 0.445 195 T N 6.298 120.933 114.554 0.136 0.000 2.772 195 T HA 0.550 4.900 4.350 -0.000 0.000 0.288 195 T C -0.128 174.684 174.700 0.187 0.000 0.994 195 T CA -0.168 62.028 62.100 0.159 0.000 0.951 195 T CB 0.588 69.507 68.868 0.086 0.000 0.933 195 T HN 0.617 nan 8.240 nan 0.000 0.447 196 I N 2.232 122.889 120.570 0.144 0.000 2.342 196 I HA 0.811 4.981 4.170 -0.000 0.000 0.291 196 I C -0.790 175.491 176.117 0.273 0.000 1.010 196 I CA -0.861 60.505 61.300 0.112 0.000 1.308 196 I CB 0.578 38.414 38.000 -0.274 0.000 1.400 196 I HN 0.431 nan 8.210 nan 0.000 0.488 197 F N 3.710 123.700 119.950 0.066 0.000 2.599 197 F HA 1.019 5.546 4.527 -0.000 0.000 0.311 197 F C -0.375 175.446 175.800 0.034 0.000 1.076 197 F CA -1.448 56.634 58.000 0.136 0.000 0.937 197 F CB 1.388 40.572 39.000 0.307 0.000 1.282 197 F HN 0.807 nan 8.300 nan 0.000 0.460 198 G N 1.002 109.676 108.800 -0.209 0.000 2.576 198 G HA2 0.483 4.443 3.960 -0.000 0.000 0.290 198 G HA3 0.483 4.443 3.960 -0.000 0.000 0.290 198 G C -2.499 172.238 174.900 -0.272 0.000 1.442 198 G CA -0.802 43.819 45.100 -0.798 0.000 0.792 198 G HN 0.867 nan 8.290 nan 0.000 0.491 199 E N 0.152 120.169 120.200 -0.305 0.000 2.256 199 E HA 0.629 4.979 4.350 -0.000 0.000 0.267 199 E C 0.721 177.312 176.600 -0.016 0.000 0.892 199 E CA 0.273 56.706 56.400 0.055 0.000 0.775 199 E CB 2.181 32.065 29.700 0.307 0.000 1.207 199 E HN 0.806 nan 8.360 nan 0.000 0.420 200 S N 2.414 118.164 115.700 0.084 0.000 4.112 200 S HA -0.402 4.068 4.470 -0.000 0.000 0.602 200 S C 1.481 176.183 174.600 0.171 0.000 1.939 200 S CA 2.162 60.480 58.200 0.196 0.000 4.230 200 S CB -1.580 61.669 63.200 0.082 0.000 0.245 200 S HN 0.927 nan 8.310 nan 0.000 0.530 201 A N 0.972 123.782 122.820 -0.016 0.000 2.024 201 A HA 0.125 4.445 4.320 -0.000 0.000 0.220 201 A C 2.438 179.776 177.584 -0.410 0.000 1.164 201 A CA 2.467 54.276 52.037 -0.380 0.000 0.643 201 A CB -1.528 16.918 19.000 -0.924 0.000 0.806 201 A HN 1.528 nan 8.150 nan 0.000 0.451 202 G N -0.690 107.940 108.800 -0.283 0.000 2.394 202 G HA2 0.092 4.052 3.960 -0.000 0.000 0.215 202 G HA3 0.092 4.052 3.960 -0.000 0.000 0.215 202 G C 1.492 176.230 174.900 -0.270 0.000 1.165 202 G CA 1.137 46.025 45.100 -0.353 0.000 0.784 202 G HN 0.656 nan 8.290 nan 0.000 0.535 203 G N 1.202 109.903 108.800 -0.164 0.000 2.421 203 G HA2 0.047 4.007 3.960 -0.000 0.000 0.216 203 G HA3 0.047 4.007 3.960 -0.000 0.000 0.216 203 G C 2.079 176.897 174.900 -0.136 0.000 1.171 203 G CA 1.524 46.562 45.100 -0.104 0.000 0.775 203 G HN 0.608 nan 8.290 nan 0.000 0.543 204 A N 0.727 123.484 122.820 -0.105 0.000 1.940 204 A HA -0.038 4.282 4.320 -0.000 0.000 0.219 204 A C 2.699 180.232 177.584 -0.086 0.000 1.176 204 A CA 2.351 54.304 52.037 -0.140 0.000 0.631 204 A CB -0.662 18.280 19.000 -0.097 0.000 0.814 204 A HN 0.322 nan 8.150 nan 0.000 0.446 205 S N -0.538 115.129 115.700 -0.055 0.000 2.353 205 S HA -0.155 4.315 4.470 -0.000 0.000 0.222 205 S C 1.939 176.482 174.600 -0.096 0.000 1.035 205 S CA 1.457 59.609 58.200 -0.080 0.000 1.025 205 S CB -0.611 62.501 63.200 -0.145 0.000 0.902 205 S HN 0.363 nan 8.310 nan 0.000 0.440 206 V N 1.699 121.565 119.914 -0.080 0.000 2.250 206 V HA -0.256 3.863 4.120 -0.000 0.000 0.250 206 V C 2.619 178.682 176.094 -0.051 0.000 1.060 206 V CA 2.148 64.410 62.300 -0.063 0.000 1.030 206 V CB -1.556 30.208 31.823 -0.098 0.000 0.643 206 V HN 0.622 nan 8.190 nan 0.000 0.445 207 G N -1.021 107.694 108.800 -0.142 0.000 2.450 207 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.220 207 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.220 207 G C 1.548 176.452 174.900 0.006 0.000 1.130 207 G CA 1.158 46.147 45.100 -0.185 0.000 0.760 207 G HN 0.498 nan 8.290 nan 0.000 0.557 208 M N -0.328 119.284 119.600 0.019 0.000 2.319 208 M HA 0.059 4.539 4.480 -0.000 0.000 0.265 208 M C 2.154 178.574 176.300 0.199 0.000 1.068 208 M CA 0.714 56.152 55.300 0.230 0.000 1.118 208 M CB -0.196 32.547 32.600 0.239 0.000 1.395 208 M HN 0.159 nan 8.290 nan 0.000 0.435 209 H N 0.076 119.271 119.070 0.208 0.000 2.470 209 H HA 0.099 4.654 4.556 -0.000 0.000 0.289 209 H C 2.102 177.635 175.328 0.341 0.000 1.033 209 H CA 1.141 57.299 56.048 0.184 0.000 1.331 209 H CB -0.011 29.733 29.762 -0.030 0.000 1.414 209 H HN 0.401 nan 8.280 nan 0.000 0.545 210 I N 0.459 121.309 120.570 0.468 0.000 2.252 210 I HA -0.231 3.938 4.170 -0.000 0.000 0.245 210 I C 2.217 178.597 176.117 0.439 0.000 1.102 210 I CA 0.853 62.484 61.300 0.552 0.000 1.385 210 I CB -0.074 38.212 38.000 0.478 0.000 1.064 210 I HN 0.127 nan 8.210 nan 0.000 0.414 211 L N -0.496 120.951 121.223 0.372 0.000 2.044 211 L HA -0.068 4.271 4.340 -0.000 0.000 0.205 211 L C 1.586 178.595 176.870 0.231 0.000 1.075 211 L CA 0.362 55.418 54.840 0.361 0.000 0.747 211 L CB -0.472 41.817 42.059 0.384 0.000 0.903 211 L HN 0.085 nan 8.230 nan 0.000 0.435 212 S N 0.459 116.215 115.700 0.094 0.000 2.509 212 S HA 0.049 4.518 4.470 -0.000 0.000 0.287 212 S C -1.449 173.045 174.600 -0.177 0.000 1.248 212 S CA -1.206 56.836 58.200 -0.264 0.000 1.089 212 S CB 0.751 63.344 63.200 -1.011 0.000 0.900 212 S HN -0.053 nan 8.310 nan 0.000 0.496 213 P HA -0.050 nan 4.420 nan 0.000 0.217 213 P C 1.104 178.328 177.300 -0.128 0.000 1.148 213 P CA 0.993 64.032 63.100 -0.101 0.000 0.828 213 P CB -0.005 31.644 31.700 -0.086 0.000 0.783 214 G N -1.982 106.692 108.800 -0.211 0.000 3.262 214 G HA2 0.049 4.009 3.960 -0.000 0.000 0.228 214 G HA3 0.049 4.009 3.960 -0.000 0.000 0.228 214 G C 0.905 175.731 174.900 -0.124 0.000 1.197 214 G CA 0.158 45.155 45.100 -0.171 0.000 0.819 214 G HN 0.178 nan 8.290 nan 0.000 0.531 215 S N -0.796 114.863 115.700 -0.067 0.000 2.691 215 S HA 0.116 4.586 4.470 -0.000 0.000 0.258 215 S C 2.045 176.743 174.600 0.163 0.000 1.078 215 S CA -0.527 57.725 58.200 0.087 0.000 1.000 215 S CB 0.283 63.640 63.200 0.262 0.000 0.942 215 S HN 0.328 nan 8.310 nan 0.000 0.521 216 R N 2.247 122.784 120.500 0.062 0.000 2.134 216 R HA -0.145 4.194 4.340 -0.000 0.000 0.248 216 R C 0.697 176.804 176.300 -0.322 0.000 1.143 216 R CA 1.860 57.888 56.100 -0.121 0.000 0.957 216 R CB -0.534 29.713 30.300 -0.087 0.000 0.867 216 R HN 0.322 nan 8.270 nan 0.000 0.441 217 D N 0.442 120.727 120.400 -0.192 0.000 2.378 217 D HA -0.035 4.605 4.640 -0.000 0.000 0.227 217 D C 1.382 177.551 176.300 -0.217 0.000 1.012 217 D CA 0.711 54.585 54.000 -0.210 0.000 0.905 217 D CB 0.119 40.817 40.800 -0.170 0.000 0.895 217 D HN 0.292 nan 8.370 nan 0.000 0.532 218 L N -0.228 120.923 121.223 -0.119 0.000 2.592 218 L HA 0.136 4.475 4.340 -0.000 0.000 0.227 218 L C 0.053 177.039 176.870 0.193 0.000 1.127 218 L CA -0.012 54.812 54.840 -0.026 0.000 0.884 218 L CB -0.164 41.914 42.059 0.033 0.000 1.065 218 L HN -0.068 nan 8.230 nan 0.000 0.457 219 F N -4.401 115.533 119.950 -0.027 0.000 2.713 219 F HA 0.582 5.109 4.527 -0.000 0.000 0.311 219 F C 0.337 176.152 175.800 0.025 0.000 1.141 219 F CA -1.392 56.616 58.000 0.013 0.000 0.939 219 F CB 1.144 40.157 39.000 0.023 0.000 1.325 219 F HN -0.410 nan 8.300 nan 0.000 0.453 220 R N 0.930 121.502 120.500 0.120 0.000 2.051 220 R HA 0.432 4.771 4.340 -0.000 0.000 0.218 220 R C -0.035 176.315 176.300 0.083 0.000 1.188 220 R CA 1.305 57.410 56.100 0.009 0.000 0.992 220 R CB 0.121 30.428 30.300 0.012 0.000 0.883 220 R HN 0.837 nan 8.270 nan 0.000 0.444 221 R N -0.997 119.627 120.500 0.206 0.000 2.912 221 R HA 0.832 5.172 4.340 -0.000 0.000 0.262 221 R C -1.350 175.200 176.300 0.417 0.000 1.057 221 R CA -0.843 55.407 56.100 0.251 0.000 0.981 221 R CB 1.727 32.009 30.300 -0.031 0.000 1.201 221 R HN 0.155 nan 8.270 nan 0.000 0.484 222 A N 0.989 124.069 122.820 0.432 0.000 2.556 222 A HA 0.752 5.072 4.320 -0.000 0.000 0.294 222 A C -1.121 176.605 177.584 0.237 0.000 1.091 222 A CA -0.962 51.259 52.037 0.306 0.000 0.704 222 A CB 1.556 20.686 19.000 0.217 0.000 1.300 222 A HN 0.639 nan 8.150 nan 0.000 0.406 223 I N 0.550 121.209 120.570 0.148 0.000 2.545 223 I HA 0.443 4.612 4.170 -0.000 0.000 0.292 223 I C -1.539 174.630 176.117 0.086 0.000 1.040 223 I CA -0.647 60.671 61.300 0.030 0.000 1.068 223 I CB 2.098 40.103 38.000 0.009 0.000 1.251 223 I HN 0.433 nan 8.210 nan 0.000 0.424 224 L N 6.014 127.262 121.223 0.042 0.000 2.372 224 L HA 0.446 4.785 4.340 -0.000 0.000 0.274 224 L C -0.669 176.290 176.870 0.148 0.000 0.988 224 L CA -0.269 54.597 54.840 0.043 0.000 0.833 224 L CB 1.641 43.648 42.059 -0.086 0.000 1.236 224 L HN 0.474 nan 8.230 nan 0.000 0.410 225 Q N 1.839 121.779 119.800 0.233 0.000 2.368 225 Q HA 0.449 4.788 4.340 -0.000 0.000 0.263 225 Q C 0.083 176.228 176.000 0.242 0.000 1.009 225 Q CA -0.573 55.441 55.803 0.352 0.000 0.818 225 Q CB 1.548 30.589 28.738 0.504 0.000 1.239 225 Q HN 0.652 nan 8.270 nan 0.000 0.464 226 S N 1.070 116.903 115.700 0.222 0.000 3.549 226 S HA -0.191 4.279 4.470 -0.000 0.000 0.366 226 S C 0.057 174.835 174.600 0.296 0.000 1.012 226 S CA 0.661 59.018 58.200 0.262 0.000 1.141 226 S CB -1.044 62.354 63.200 0.330 0.000 0.910 226 S HN 0.915 nan 8.310 nan 0.000 0.471 227 G N -0.573 108.326 108.800 0.164 0.000 2.759 227 G HA2 0.605 4.565 3.960 -0.000 0.000 0.297 227 G HA3 0.605 4.565 3.960 -0.000 0.000 0.297 227 G C -1.297 173.553 174.900 -0.084 0.000 1.434 227 G CA 0.099 45.287 45.100 0.147 0.000 0.980 227 G HN 0.419 nan 8.290 nan 0.000 0.531 228 S N 1.431 117.007 115.700 -0.206 0.000 2.540 228 S HA 0.724 5.194 4.470 -0.000 0.000 0.275 228 S C -1.669 172.653 174.600 -0.465 0.000 1.123 228 S CA -1.321 56.631 58.200 -0.413 0.000 0.907 228 S CB 2.474 65.475 63.200 -0.332 0.000 1.081 228 S HN 0.350 nan 8.310 nan 0.000 0.476 229 P HA -0.113 nan 4.420 nan 0.000 0.219 229 P C 0.513 177.588 177.300 -0.374 0.000 1.146 229 P CA 1.153 64.028 63.100 -0.375 0.000 0.808 229 P CB -0.209 31.309 31.700 -0.302 0.000 0.779 230 N N -1.017 117.488 118.700 -0.325 0.000 2.268 230 N HA -0.002 4.738 4.740 -0.000 0.000 0.204 230 N C -0.061 175.223 175.510 -0.376 0.000 1.124 230 N CA -0.303 52.586 53.050 -0.268 0.000 0.838 230 N CB -1.272 37.172 38.487 -0.072 0.000 0.994 230 N HN 0.013 nan 8.380 nan 0.000 0.489 231 C N 1.969 120.923 119.300 -0.576 0.000 2.657 231 C HA 0.117 4.577 4.460 -0.000 0.000 0.420 231 C C -0.380 174.125 174.990 -0.809 0.000 1.323 231 C CA -0.672 57.857 59.018 -0.816 0.000 1.894 231 C CB 0.833 27.727 27.740 -1.409 0.000 2.681 231 C HN 0.253 nan 8.230 nan 0.000 0.613 232 P HA -0.125 nan 4.420 nan 0.000 0.217 232 P C 1.332 178.449 177.300 -0.305 0.000 1.148 232 P CA 1.737 64.562 63.100 -0.458 0.000 0.834 232 P CB -0.050 31.349 31.700 -0.501 0.000 0.783 233 W N -3.155 118.011 121.300 -0.223 0.000 3.211 233 W HA 0.521 5.181 4.660 -0.000 0.000 0.292 233 W C 1.136 177.717 176.519 0.104 0.000 1.268 233 W CA 0.469 57.779 57.345 -0.059 0.000 1.702 233 W CB -1.128 28.336 29.460 0.007 0.000 1.092 233 W HN -0.143 nan 8.180 nan 0.000 0.643 234 A N 1.486 123.992 122.820 -0.524 0.000 2.235 234 A HA 0.218 4.538 4.320 -0.000 0.000 0.208 234 A C 0.919 178.310 177.584 -0.321 0.000 1.172 234 A CA 1.144 52.976 52.037 -0.342 0.000 0.786 234 A CB -0.615 17.978 19.000 -0.679 0.000 0.804 234 A HN 0.262 nan 8.150 nan 0.000 0.479 235 S N -2.185 113.348 115.700 -0.279 0.000 2.627 235 S HA 0.558 5.028 4.470 -0.000 0.000 0.268 235 S C -0.872 173.607 174.600 -0.201 0.000 1.130 235 S CA -0.130 57.894 58.200 -0.293 0.000 0.819 235 S CB 0.906 63.878 63.200 -0.380 0.000 1.100 235 S HN 1.437 nan 8.310 nan 0.000 0.465 236 V N -0.923 118.889 119.914 -0.169 0.000 3.160 236 V HA 0.964 5.083 4.120 -0.000 0.000 0.310 236 V C 0.176 176.204 176.094 -0.110 0.000 1.181 236 V CA -0.370 61.858 62.300 -0.120 0.000 1.047 236 V CB 1.147 32.920 31.823 -0.083 0.000 1.068 236 V HN 1.700 nan 8.190 nan 0.000 0.441 237 S N 0.320 115.967 115.700 -0.088 0.000 2.614 237 S HA 0.374 4.844 4.470 -0.000 0.000 0.265 237 S C 0.999 175.559 174.600 -0.067 0.000 1.303 237 S CA 0.162 58.314 58.200 -0.080 0.000 1.000 237 S CB 1.346 64.508 63.200 -0.063 0.000 0.935 237 S HN 1.113 nan 8.310 nan 0.000 0.551 238 V N 1.864 121.728 119.914 -0.083 0.000 2.392 238 V HA -0.207 3.913 4.120 -0.000 0.000 0.249 238 V C 2.889 178.975 176.094 -0.013 0.000 1.059 238 V CA 2.443 64.697 62.300 -0.077 0.000 1.051 238 V CB -1.736 29.987 31.823 -0.166 0.000 0.658 238 V HN 1.012 nan 8.190 nan 0.000 0.455 239 A N -0.086 122.725 122.820 -0.016 0.000 1.858 239 A HA -0.249 4.070 4.320 -0.000 0.000 0.216 239 A C 2.206 179.782 177.584 -0.014 0.000 1.190 239 A CA 2.003 54.037 52.037 -0.005 0.000 0.617 239 A CB -0.556 18.438 19.000 -0.010 0.000 0.827 239 A HN 0.549 nan 8.150 nan 0.000 0.443 240 E N 0.132 120.314 120.200 -0.030 0.000 2.110 240 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 240 E C 1.950 178.535 176.600 -0.026 0.000 0.988 240 E CA 1.599 57.973 56.400 -0.042 0.000 0.804 240 E CB -0.849 28.815 29.700 -0.059 0.000 0.745 240 E HN 0.406 nan 8.360 nan 0.000 0.458 241 G N 0.614 109.409 108.800 -0.008 0.000 2.440 241 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.218 241 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.218 241 G C 1.765 176.696 174.900 0.051 0.000 1.154 241 G CA 0.923 46.043 45.100 0.034 0.000 0.767 241 G HN 0.338 nan 8.290 nan 0.000 0.552 242 R N 0.184 120.703 120.500 0.031 0.000 2.115 242 R HA 0.108 4.448 4.340 -0.000 0.000 0.226 242 R C 2.510 178.820 176.300 0.016 0.000 1.100 242 R CA 0.896 57.013 56.100 0.027 0.000 0.980 242 R CB -0.289 30.030 30.300 0.031 0.000 0.875 242 R HN 0.323 nan 8.270 nan 0.000 0.445 243 R N 0.529 121.030 120.500 0.002 0.000 2.070 243 R HA -0.098 4.241 4.340 -0.000 0.000 0.233 243 R C 2.198 178.494 176.300 -0.007 0.000 1.137 243 R CA 1.660 57.752 56.100 -0.013 0.000 0.945 243 R CB -0.071 30.206 30.300 -0.038 0.000 0.845 243 R HN 0.227 nan 8.270 nan 0.000 0.430 244 R N -0.049 120.448 120.500 -0.005 0.000 2.081 244 R HA -0.091 4.248 4.340 -0.000 0.000 0.235 244 R C 2.374 178.756 176.300 0.137 0.000 1.131 244 R CA 1.342 57.443 56.100 0.002 0.000 0.960 244 R CB -0.418 29.823 30.300 -0.099 0.000 0.856 244 R HN 0.262 nan 8.270 nan 0.000 0.436 245 A N 0.935 123.856 122.820 0.168 0.000 1.883 245 A HA -0.152 4.167 4.320 -0.000 0.000 0.217 245 A C 2.412 180.016 177.584 0.033 0.000 1.186 245 A CA 1.718 53.816 52.037 0.100 0.000 0.624 245 A CB -0.692 18.301 19.000 -0.011 0.000 0.822 245 A HN 0.122 nan 8.150 nan 0.000 0.444 246 V N -0.109 119.817 119.914 0.019 0.000 2.295 246 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 246 V C 2.590 178.694 176.094 0.016 0.000 1.049 246 V CA 2.440 64.744 62.300 0.007 0.000 1.024 246 V CB -0.849 30.975 31.823 0.002 0.000 0.648 246 V HN 0.668 nan 8.190 nan 0.000 0.447 247 E N 0.246 120.457 120.200 0.019 0.000 2.097 247 E HA -0.257 4.092 4.350 -0.000 0.000 0.196 247 E C 1.931 178.553 176.600 0.036 0.000 1.000 247 E CA 1.503 57.912 56.400 0.015 0.000 0.804 247 E CB -0.532 29.163 29.700 -0.008 0.000 0.740 247 E HN 0.444 nan 8.360 nan 0.000 0.454 248 L N -0.229 121.040 121.223 0.076 0.000 2.012 248 L HA -0.050 4.290 4.340 -0.000 0.000 0.210 248 L C 2.187 179.086 176.870 0.047 0.000 1.073 248 L CA 2.508 57.408 54.840 0.100 0.000 0.748 248 L CB -1.104 41.064 42.059 0.182 0.000 0.891 248 L HN 0.233 nan 8.230 nan 0.000 0.431 249 G N -0.908 107.907 108.800 0.025 0.000 2.446 249 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.217 249 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.217 249 G C 1.795 176.707 174.900 0.021 0.000 1.168 249 G CA 0.824 45.932 45.100 0.014 0.000 0.771 249 G HN 0.444 nan 8.290 nan 0.000 0.551 250 R N 0.403 120.915 120.500 0.020 0.000 2.091 250 R HA -0.061 4.278 4.340 -0.000 0.000 0.238 250 R C 2.195 178.509 176.300 0.024 0.000 1.136 250 R CA 1.379 57.490 56.100 0.019 0.000 0.959 250 R CB -0.422 29.886 30.300 0.014 0.000 0.856 250 R HN 0.276 nan 8.270 nan 0.000 0.437 251 N N 0.357 119.074 118.700 0.029 0.000 2.519 251 N HA -0.125 4.615 4.740 -0.000 0.000 0.186 251 N C 0.676 176.209 175.510 0.039 0.000 1.062 251 N CA 0.910 53.982 53.050 0.036 0.000 0.910 251 N CB 0.163 38.676 38.487 0.045 0.000 0.958 251 N HN 0.324 nan 8.380 nan 0.000 0.445 252 L N -0.008 121.236 121.223 0.035 0.000 3.168 252 L HA 0.163 4.503 4.340 -0.000 0.000 0.277 252 L C -0.173 176.715 176.870 0.029 0.000 1.245 252 L CA -0.348 54.513 54.840 0.034 0.000 1.035 252 L CB -0.066 42.014 42.059 0.034 0.000 1.399 252 L HN -0.032 nan 8.230 nan 0.000 0.580 253 N N 0.612 119.328 118.700 0.027 0.000 2.641 253 N HA -0.192 4.548 4.740 -0.000 0.000 0.267 253 N C -0.835 174.691 175.510 0.027 0.000 1.087 253 N CA 0.329 53.395 53.050 0.026 0.000 0.731 253 N CB -0.895 37.607 38.487 0.026 0.000 0.886 253 N HN 0.277 nan 8.380 nan 0.000 0.547 254 c N 1.482 120.097 118.600 0.026 0.000 2.562 254 c HA 0.503 5.073 4.570 -0.000 0.000 0.332 254 c C 0.417 174.526 174.090 0.031 0.000 1.201 254 c CA -1.111 55.236 56.329 0.030 0.000 1.803 254 c CB 1.367 43.892 42.510 0.025 0.000 2.328 254 c HN 0.602 nan 8.230 nan 0.000 0.500 255 N N 1.477 120.202 118.700 0.042 0.000 2.483 255 N HA 0.200 4.940 4.740 -0.000 0.000 0.264 255 N C 0.480 176.007 175.510 0.029 0.000 1.197 255 N CA 0.207 53.279 53.050 0.037 0.000 0.927 255 N CB 0.576 39.092 38.487 0.049 0.000 1.065 255 N HN 0.544 nan 8.380 nan 0.000 0.461 256 L N 2.018 123.253 121.223 0.020 0.000 2.575 256 L HA 0.072 4.412 4.340 -0.000 0.000 0.228 256 L C 1.784 178.660 176.870 0.011 0.000 1.075 256 L CA 0.023 54.871 54.840 0.014 0.000 0.867 256 L CB -0.250 41.816 42.059 0.010 0.000 1.097 256 L HN 0.598 nan 8.230 nan 0.000 0.485 257 N N 1.119 119.827 118.700 0.012 0.000 2.202 257 N HA -0.225 4.515 4.740 -0.000 0.000 0.197 257 N C 0.576 176.090 175.510 0.007 0.000 0.995 257 N CA 1.243 54.298 53.050 0.009 0.000 0.894 257 N CB -0.249 38.244 38.487 0.010 0.000 1.010 257 N HN 0.427 nan 8.380 nan 0.000 0.453 258 S N -2.285 113.421 115.700 0.009 0.000 2.565 258 S HA 0.189 4.659 4.470 -0.000 0.000 0.269 258 S C -0.278 174.326 174.600 0.006 0.000 1.153 258 S CA -0.913 57.291 58.200 0.005 0.000 0.835 258 S CB 2.018 65.221 63.200 0.005 0.000 1.122 258 S HN -0.047 nan 8.310 nan 0.000 0.462 259 D N 1.315 121.715 120.400 -0.001 0.000 2.126 259 D HA -0.171 4.468 4.640 -0.000 0.000 0.190 259 D C 1.474 177.779 176.300 0.009 0.000 1.001 259 D CA 2.263 56.259 54.000 -0.006 0.000 0.841 259 D CB -0.207 40.585 40.800 -0.013 0.000 0.949 259 D HN 0.732 nan 8.370 nan 0.000 0.446 260 E N 1.048 121.258 120.200 0.017 0.000 2.070 260 E HA -0.175 4.175 4.350 -0.000 0.000 0.197 260 E C 2.078 178.716 176.600 0.063 0.000 1.004 260 E CA 0.949 57.370 56.400 0.034 0.000 0.805 260 E CB -0.208 29.504 29.700 0.019 0.000 0.744 260 E HN 0.366 nan 8.360 nan 0.000 0.451 261 E N 0.029 120.259 120.200 0.050 0.000 2.072 261 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 261 E C 2.158 178.816 176.600 0.098 0.000 0.985 261 E CA 0.650 57.096 56.400 0.076 0.000 0.801 261 E CB -0.246 29.482 29.700 0.047 0.000 0.750 261 E HN 0.180 nan 8.360 nan 0.000 0.452 262 L N 1.321 122.575 121.223 0.052 0.000 2.056 262 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 262 L C 2.110 178.997 176.870 0.029 0.000 1.078 262 L CA 1.265 56.121 54.840 0.028 0.000 0.749 262 L CB -0.375 41.680 42.059 -0.008 0.000 0.901 262 L HN 0.015 nan 8.230 nan 0.000 0.433 263 I N -0.596 119.999 120.570 0.041 0.000 2.226 263 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 263 I C 2.562 178.759 176.117 0.134 0.000 1.100 263 I CA 1.639 62.980 61.300 0.070 0.000 1.374 263 I CB -1.585 36.465 38.000 0.082 0.000 1.057 263 I HN 0.468 nan 8.210 nan 0.000 0.413 264 H N 0.450 119.556 119.070 0.060 0.000 2.387 264 H HA -0.198 4.358 4.556 -0.000 0.000 0.299 264 H C 2.493 177.859 175.328 0.063 0.000 1.090 264 H CA 2.251 58.335 56.048 0.060 0.000 1.332 264 H CB -0.260 29.526 29.762 0.039 0.000 1.386 264 H HN 0.355 nan 8.280 nan 0.000 0.516 265 c N -0.094 118.476 118.600 -0.051 0.000 2.453 265 c HA -0.033 4.537 4.570 -0.000 0.000 0.277 265 c C 2.711 176.769 174.090 -0.054 0.000 1.262 265 c CA 0.894 57.172 56.329 -0.084 0.000 1.718 265 c CB -1.357 41.164 42.510 0.018 0.000 2.031 265 c HN 0.666 nan 8.230 nan 0.000 0.480 266 L N 0.138 121.377 121.223 0.026 0.000 2.362 266 L HA -0.014 4.326 4.340 -0.000 0.000 0.219 266 L C 2.712 179.669 176.870 0.145 0.000 1.134 266 L CA 1.007 55.910 54.840 0.106 0.000 0.807 266 L CB -0.642 41.507 42.059 0.149 0.000 0.927 266 L HN 0.345 nan 8.230 nan 0.000 0.447 267 R N -0.150 120.396 120.500 0.076 0.000 2.299 267 R HA -0.023 4.317 4.340 -0.000 0.000 0.197 267 R C 1.544 177.805 176.300 -0.066 0.000 0.971 267 R CA 0.421 56.527 56.100 0.010 0.000 1.030 267 R CB 0.172 30.490 30.300 0.030 0.000 0.932 267 R HN 0.486 nan 8.270 nan 0.000 0.477 268 E N 0.248 120.380 120.200 -0.112 0.000 2.201 268 E HA 0.026 4.376 4.350 -0.000 0.000 0.193 268 E C -0.036 176.543 176.600 -0.035 0.000 0.957 268 E CA 0.123 56.462 56.400 -0.102 0.000 0.858 268 E CB 0.353 29.956 29.700 -0.163 0.000 0.816 268 E HN -0.028 nan 8.360 nan 0.000 0.475 269 K N 2.574 122.966 120.400 -0.013 0.000 2.489 269 K HA 0.056 4.375 4.320 -0.000 0.000 0.278 269 K C 0.079 176.708 176.600 0.047 0.000 1.000 269 K CA 0.438 56.739 56.287 0.024 0.000 1.012 269 K CB 0.354 32.878 32.500 0.040 0.000 0.903 269 K HN 0.016 nan 8.250 nan 0.000 0.485 270 K N 3.085 123.516 120.400 0.052 0.000 2.319 270 K HA 0.004 4.324 4.320 -0.000 0.000 0.265 270 K C -1.494 175.179 176.600 0.122 0.000 1.000 270 K CA -1.438 54.886 56.287 0.062 0.000 0.943 270 K CB 0.137 32.665 32.500 0.048 0.000 0.950 270 K HN 0.190 nan 8.250 nan 0.000 0.485 271 P HA -0.236 nan 4.420 nan 0.000 0.216 271 P C 1.084 178.558 177.300 0.290 0.000 1.154 271 P CA 1.321 64.596 63.100 0.292 0.000 0.865 271 P CB 0.258 31.993 31.700 0.058 0.000 0.789 272 Q N -0.039 119.861 119.800 0.166 0.000 2.224 272 Q HA -0.167 4.173 4.340 -0.000 0.000 0.203 272 Q C 1.915 178.003 176.000 0.146 0.000 0.970 272 Q CA 1.553 57.448 55.803 0.153 0.000 0.865 272 Q CB -0.684 28.116 28.738 0.104 0.000 0.922 272 Q HN 0.344 nan 8.270 nan 0.000 0.445 273 E N -0.564 119.709 120.200 0.122 0.000 2.031 273 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 273 E C 1.760 178.421 176.600 0.101 0.000 0.994 273 E CA 1.154 57.614 56.400 0.099 0.000 0.800 273 E CB -0.143 29.603 29.700 0.077 0.000 0.752 273 E HN 0.234 nan 8.360 nan 0.000 0.447 274 L N 0.984 122.267 121.223 0.100 0.000 1.989 274 L HA -0.195 4.145 4.340 -0.000 0.000 0.211 274 L C 2.369 179.286 176.870 0.077 0.000 1.071 274 L CA 1.524 56.392 54.840 0.047 0.000 0.749 274 L CB -0.622 41.396 42.059 -0.069 0.000 0.890 274 L HN 0.160 nan 8.230 nan 0.000 0.431 275 I N -0.515 120.143 120.570 0.145 0.000 2.264 275 I HA -0.316 3.854 4.170 -0.000 0.000 0.248 275 I C 1.898 178.136 176.117 0.202 0.000 1.111 275 I CA 1.178 62.596 61.300 0.196 0.000 1.382 275 I CB -0.463 37.710 38.000 0.289 0.000 1.060 275 I HN 0.285 nan 8.210 nan 0.000 0.418 276 D N 0.261 120.772 120.400 0.185 0.000 2.218 276 D HA -0.105 4.534 4.640 -0.000 0.000 0.204 276 D C 1.847 178.249 176.300 0.171 0.000 0.976 276 D CA 1.362 55.477 54.000 0.192 0.000 0.853 276 D CB 0.047 40.937 40.800 0.149 0.000 0.939 276 D HN 0.394 nan 8.370 nan 0.000 0.481 277 V N -2.269 117.722 119.914 0.128 0.000 3.319 277 V HA 0.225 4.344 4.120 -0.000 0.000 0.317 277 V C 1.585 177.726 176.094 0.080 0.000 1.411 277 V CA -0.126 62.239 62.300 0.109 0.000 1.112 277 V CB 0.391 32.265 31.823 0.085 0.000 1.031 277 V HN -0.085 nan 8.190 nan 0.000 0.448 278 E N 0.646 120.869 120.200 0.038 0.000 2.085 278 E HA -0.240 4.109 4.350 -0.000 0.000 0.194 278 E C 1.539 177.979 176.600 -0.267 0.000 0.994 278 E CA 2.427 58.772 56.400 -0.091 0.000 0.801 278 E CB -0.147 29.425 29.700 -0.213 0.000 0.743 278 E HN 0.843 nan 8.360 nan 0.000 0.453 279 W N 0.980 122.242 121.300 -0.064 0.000 2.595 279 W HA 0.007 4.667 4.660 -0.000 0.000 0.257 279 W C 1.765 178.222 176.519 -0.104 0.000 1.267 279 W CA 0.008 57.278 57.345 -0.126 0.000 1.300 279 W CB -0.051 29.313 29.460 -0.161 0.000 1.120 279 W HN 0.067 nan 8.180 nan 0.000 0.618 280 N N 0.541 119.311 118.700 0.117 0.000 2.573 280 N HA -0.114 4.626 4.740 -0.000 0.000 0.187 280 N C 1.708 177.215 175.510 -0.005 0.000 1.107 280 N CA 1.571 54.657 53.050 0.059 0.000 0.918 280 N CB -0.508 38.014 38.487 0.058 0.000 0.966 280 N HN 0.293 nan 8.380 nan 0.000 0.448 281 V N -2.176 117.698 119.914 -0.067 0.000 3.354 281 V HA 0.183 4.303 4.120 -0.000 0.000 0.258 281 V C 1.012 177.015 176.094 -0.153 0.000 1.159 281 V CA 0.033 62.259 62.300 -0.123 0.000 1.125 281 V CB -0.560 31.142 31.823 -0.201 0.000 0.774 281 V HN -0.027 nan 8.190 nan 0.000 0.464 282 L N 1.269 122.419 121.223 -0.123 0.000 2.543 282 L HA 0.137 4.477 4.340 -0.000 0.000 0.285 282 L C -0.950 175.824 176.870 -0.160 0.000 1.236 282 L CA -0.686 54.087 54.840 -0.111 0.000 0.871 282 L CB 0.063 42.118 42.059 -0.005 0.000 1.121 282 L HN 0.084 nan 8.230 nan 0.000 0.501 283 P HA 0.056 nan 4.420 nan 0.000 0.236 283 P C -0.609 176.282 177.300 -0.681 0.000 1.177 283 P CA 1.060 63.801 63.100 -0.598 0.000 0.773 283 P CB 0.306 31.312 31.700 -1.157 0.000 0.878 284 F N -1.393 118.553 119.950 -0.007 0.000 2.650 284 F HA 0.341 4.868 4.527 -0.000 0.000 0.320 284 F C 0.258 176.053 175.800 -0.009 0.000 1.091 284 F CA -1.418 56.580 58.000 -0.004 0.000 0.962 284 F CB 0.349 39.352 39.000 0.005 0.000 1.363 284 F HN -0.464 nan 8.300 nan 0.000 0.482 285 D N 1.016 121.554 120.400 0.229 0.000 2.277 285 D HA 0.530 5.169 4.640 -0.000 0.000 0.249 285 D C -0.434 175.916 176.300 0.084 0.000 1.134 285 D CA 0.363 54.424 54.000 0.101 0.000 0.863 285 D CB 1.186 42.021 40.800 0.059 0.000 1.143 285 D HN 0.648 nan 8.370 nan 0.000 0.458 286 S N 0.897 116.621 115.700 0.040 0.000 2.643 286 S HA 0.586 5.056 4.470 -0.000 0.000 0.266 286 S C -0.934 173.651 174.600 -0.025 0.000 1.130 286 S CA -1.066 57.144 58.200 0.017 0.000 0.817 286 S CB 0.360 63.597 63.200 0.061 0.000 1.107 286 S HN 0.419 nan 8.310 nan 0.000 0.471 287 I N -2.318 118.239 120.570 -0.022 0.000 2.797 287 I HA 0.829 4.998 4.170 -0.000 0.000 0.307 287 I C -0.229 175.874 176.117 -0.023 0.000 1.033 287 I CA -1.004 60.282 61.300 -0.022 0.000 1.071 287 I CB 1.252 39.265 38.000 0.022 0.000 1.255 287 I HN 0.852 nan 8.210 nan 0.000 0.445 288 F N 2.288 122.061 119.950 -0.294 0.000 3.039 288 F HA -0.173 4.354 4.527 -0.000 0.000 0.287 288 F C -0.437 174.836 175.800 -0.878 0.000 0.956 288 F CA 0.568 58.158 58.000 -0.683 0.000 0.971 288 F CB -0.645 37.907 39.000 -0.746 0.000 0.943 288 F HN 0.623 nan 8.300 nan 0.000 0.766 289 R N 0.741 120.777 120.500 -0.773 0.000 2.564 289 R HA 0.561 4.901 4.340 -0.000 0.000 0.284 289 R C -1.097 174.785 176.300 -0.696 0.000 1.031 289 R CA -0.549 55.190 56.100 -0.601 0.000 0.904 289 R CB 1.297 31.516 30.300 -0.134 0.000 1.199 289 R HN -0.007 nan 8.270 nan 0.000 0.443 290 F N -0.281 119.815 119.950 0.244 0.000 2.520 290 F HA 0.376 4.903 4.527 -0.000 0.000 0.322 290 F C 1.659 177.437 175.800 -0.037 0.000 1.103 290 F CA -0.784 57.304 58.000 0.146 0.000 0.926 290 F CB 1.783 40.977 39.000 0.324 0.000 1.154 290 F HN 0.359 nan 8.300 nan 0.000 0.453 291 S N 1.123 116.744 115.700 -0.132 0.000 2.354 291 S HA -0.117 4.353 4.470 -0.000 0.000 0.219 291 S C 0.216 174.475 174.600 -0.568 0.000 1.035 291 S CA 1.431 59.334 58.200 -0.494 0.000 1.037 291 S CB -0.270 62.424 63.200 -0.843 0.000 0.956 291 S HN 0.361 nan 8.310 nan 0.000 0.428 292 F N 1.626 121.618 119.950 0.070 0.000 2.311 292 F HA 0.497 5.024 4.527 -0.000 0.000 0.371 292 F C 0.125 175.984 175.800 0.097 0.000 1.083 292 F CA -1.039 57.024 58.000 0.105 0.000 1.113 292 F CB 0.727 39.810 39.000 0.138 0.000 1.349 292 F HN -0.059 nan 8.300 nan 0.000 0.470 293 V N 0.526 120.458 119.914 0.032 0.000 3.181 293 V HA 0.767 4.887 4.120 -0.000 0.000 0.314 293 V C -2.776 172.955 176.094 -0.605 0.000 1.173 293 V CA -3.414 58.596 62.300 -0.483 0.000 1.052 293 V CB 1.798 33.461 31.823 -0.267 0.000 1.123 293 V HN 0.222 nan 8.190 nan 0.000 0.454 294 P HA 0.145 nan 4.420 nan 0.000 0.264 294 P C -0.807 176.364 177.300 -0.215 0.000 1.179 294 P CA 0.481 63.266 63.100 -0.525 0.000 0.763 294 P CB 0.552 31.912 31.700 -0.568 0.000 0.806 295 V N 5.298 125.190 119.914 -0.036 0.000 2.495 295 V HA 0.294 4.414 4.120 -0.000 0.000 0.298 295 V C -0.262 175.867 176.094 0.058 0.000 1.031 295 V CA -1.019 61.267 62.300 -0.023 0.000 0.871 295 V CB 1.073 32.895 31.823 -0.001 0.000 0.988 295 V HN 0.244 nan 8.190 nan 0.000 0.432 296 I N 7.351 127.901 120.570 -0.034 0.000 2.577 296 I HA 0.130 4.300 4.170 -0.000 0.000 0.299 296 I C 1.045 177.152 176.117 -0.015 0.000 1.157 296 I CA 0.445 61.748 61.300 0.005 0.000 1.418 296 I CB -0.360 37.575 38.000 -0.108 0.000 1.467 296 I HN 0.838 nan 8.210 nan 0.000 0.624 297 D N 3.407 123.850 120.400 0.072 0.000 2.367 297 D HA 0.070 4.709 4.640 -0.000 0.000 0.207 297 D C 1.437 177.722 176.300 -0.024 0.000 1.034 297 D CA 0.805 54.738 54.000 -0.111 0.000 0.861 297 D CB 0.438 41.252 40.800 0.025 0.000 0.943 297 D HN 0.639 nan 8.370 nan 0.000 0.515 298 G N 0.586 109.442 108.800 0.093 0.000 2.199 298 G HA2 -0.372 3.587 3.960 -0.000 0.000 0.254 298 G HA3 -0.372 3.587 3.960 -0.000 0.000 0.254 298 G C 0.740 175.710 174.900 0.117 0.000 0.982 298 G CA 0.648 45.808 45.100 0.101 0.000 0.632 298 G HN 0.534 nan 8.290 nan 0.000 0.529 299 E N -1.225 119.057 120.200 0.136 0.000 2.329 299 E HA 0.365 4.714 4.350 -0.000 0.000 0.189 299 E C 1.932 178.573 176.600 0.069 0.000 0.997 299 E CA -0.004 56.459 56.400 0.106 0.000 1.062 299 E CB -0.064 29.714 29.700 0.129 0.000 1.260 299 E HN 0.287 nan 8.360 nan 0.000 0.490 300 F N 0.749 120.637 119.950 -0.102 0.000 2.126 300 F HA -0.002 4.525 4.527 -0.000 0.000 0.299 300 F C 0.140 175.704 175.800 -0.393 0.000 1.096 300 F CA 1.126 58.946 58.000 -0.300 0.000 1.255 300 F CB 0.178 38.891 39.000 -0.477 0.000 0.997 300 F HN -0.048 nan 8.300 nan 0.000 0.479 301 F N 1.041 121.157 119.950 0.276 0.000 2.347 301 F HA 0.362 4.889 4.527 -0.000 0.000 0.366 301 F C -1.519 174.326 175.800 0.076 0.000 1.107 301 F CA -3.060 55.036 58.000 0.160 0.000 1.058 301 F CB 0.523 39.609 39.000 0.143 0.000 1.236 301 F HN -0.233 nan 8.300 nan 0.000 0.456 302 P HA -0.153 nan 4.420 nan 0.000 0.216 302 P C 0.442 177.809 177.300 0.112 0.000 1.167 302 P CA 2.198 65.366 63.100 0.113 0.000 0.914 302 P CB 0.131 31.879 31.700 0.081 0.000 0.793 303 T N -6.411 108.214 114.554 0.117 0.000 2.669 303 T HA 0.469 4.819 4.350 -0.000 0.000 0.283 303 T C -0.279 174.457 174.700 0.060 0.000 1.019 303 T CA -0.672 61.473 62.100 0.075 0.000 1.039 303 T CB 0.676 69.576 68.868 0.053 0.000 1.374 303 T HN 0.033 nan 8.240 nan 0.000 0.523 304 S N 0.197 115.908 115.700 0.019 0.000 2.558 304 S HA 0.118 4.588 4.470 -0.000 0.000 0.291 304 S C 1.539 176.125 174.600 -0.023 0.000 1.306 304 S CA -0.698 57.487 58.200 -0.025 0.000 1.056 304 S CB -0.448 62.738 63.200 -0.024 0.000 0.836 304 S HN 0.654 nan 8.310 nan 0.000 0.504 305 L N 0.883 122.049 121.223 -0.095 0.000 2.013 305 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 305 L C 2.941 179.816 176.870 0.009 0.000 1.073 305 L CA 2.193 56.984 54.840 -0.081 0.000 0.753 305 L CB -0.891 41.058 42.059 -0.183 0.000 0.890 305 L HN 0.818 nan 8.230 nan 0.000 0.432 306 E N 0.622 120.829 120.200 0.013 0.000 2.085 306 E HA -0.214 4.135 4.350 -0.000 0.000 0.194 306 E C 2.245 178.890 176.600 0.076 0.000 0.994 306 E CA 1.802 58.242 56.400 0.067 0.000 0.801 306 E CB -0.077 29.661 29.700 0.064 0.000 0.743 306 E HN 0.522 nan 8.360 nan 0.000 0.453 307 S N -0.317 115.418 115.700 0.057 0.000 2.368 307 S HA -0.196 4.274 4.470 -0.000 0.000 0.224 307 S C 2.137 176.791 174.600 0.090 0.000 1.029 307 S CA 1.424 59.662 58.200 0.064 0.000 0.988 307 S CB -0.438 62.788 63.200 0.044 0.000 0.838 307 S HN 0.272 nan 8.310 nan 0.000 0.462 308 M N 0.910 120.573 119.600 0.106 0.000 2.149 308 M HA 0.003 4.482 4.480 -0.000 0.000 0.261 308 M C 2.218 178.682 176.300 0.273 0.000 1.064 308 M CA 1.404 56.804 55.300 0.166 0.000 1.102 308 M CB -0.692 32.020 32.600 0.187 0.000 1.369 308 M HN 0.309 nan 8.290 nan 0.000 0.408 309 L N -0.180 121.167 121.223 0.207 0.000 2.109 309 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 309 L C 2.249 179.304 176.870 0.308 0.000 1.086 309 L CA 0.747 55.711 54.840 0.207 0.000 0.760 309 L CB -0.653 41.418 42.059 0.019 0.000 0.910 309 L HN 0.344 nan 8.230 nan 0.000 0.437 310 N N -0.213 118.610 118.700 0.206 0.000 2.106 310 N HA -0.141 4.598 4.740 -0.000 0.000 0.188 310 N C 2.005 177.653 175.510 0.230 0.000 1.029 310 N CA 1.798 54.973 53.050 0.209 0.000 0.848 310 N CB -0.294 38.269 38.487 0.128 0.000 1.007 310 N HN 0.313 nan 8.380 nan 0.000 0.423 311 S N -0.545 115.217 115.700 0.103 0.000 2.555 311 S HA 0.125 4.595 4.470 -0.000 0.000 0.230 311 S C 1.487 175.884 174.600 -0.338 0.000 0.978 311 S CA 0.774 58.946 58.200 -0.046 0.000 0.934 311 S CB -0.182 62.991 63.200 -0.045 0.000 0.766 311 S HN 0.472 nan 8.310 nan 0.000 0.533 312 G N 1.721 110.339 108.800 -0.304 0.000 2.148 312 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.254 312 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.254 312 G C 0.054 174.357 174.900 -0.996 0.000 0.981 312 G CA 0.116 44.572 45.100 -1.074 0.000 0.670 312 G HN 0.663 nan 8.290 nan 0.000 0.528 313 N N 0.768 119.278 118.700 -0.318 0.000 2.605 313 N HA 0.472 5.211 4.740 -0.000 0.000 0.282 313 N C -0.160 175.386 175.510 0.059 0.000 1.206 313 N CA 0.306 53.252 53.050 -0.175 0.000 1.074 313 N CB -1.036 37.431 38.487 -0.033 0.000 1.434 313 N HN 0.839 nan 8.380 nan 0.000 0.506 314 F N -0.952 118.972 119.950 -0.043 0.000 2.769 314 F HA 0.345 4.872 4.527 -0.000 0.000 0.313 314 F C -0.436 175.396 175.800 0.055 0.000 1.146 314 F CA -1.465 56.571 58.000 0.060 0.000 0.934 314 F CB 0.535 39.633 39.000 0.163 0.000 1.283 314 F HN -0.084 nan 8.300 nan 0.000 0.443 315 K N 2.118 122.725 120.400 0.345 0.000 2.484 315 K HA 0.149 4.468 4.320 -0.000 0.000 0.280 315 K C -0.954 175.855 176.600 0.348 0.000 1.013 315 K CA 0.028 56.441 56.287 0.211 0.000 1.029 315 K CB 0.463 33.057 32.500 0.156 0.000 0.902 315 K HN 0.743 nan 8.250 nan 0.000 0.481 316 K N 3.538 124.010 120.400 0.119 0.000 2.334 316 K HA 0.155 4.475 4.320 -0.000 0.000 0.265 316 K C -0.285 176.421 176.600 0.176 0.000 1.039 316 K CA -0.475 55.893 56.287 0.135 0.000 0.920 316 K CB 1.754 34.214 32.500 -0.067 0.000 1.160 316 K HN 0.650 nan 8.250 nan 0.000 0.451 317 T N 1.191 115.954 114.554 0.348 0.000 2.587 317 T HA 0.226 4.576 4.350 -0.000 0.000 0.282 317 T C -1.351 173.549 174.700 0.333 0.000 1.018 317 T CA -0.549 61.701 62.100 0.250 0.000 1.120 317 T CB 0.942 69.917 68.868 0.178 0.000 1.538 317 T HN 0.401 nan 8.240 nan 0.000 0.480 318 Q N 1.064 121.022 119.800 0.264 0.000 2.230 318 Q HA 0.738 5.077 4.340 -0.000 0.000 0.253 318 Q C -0.426 175.875 176.000 0.502 0.000 0.919 318 Q CA -0.439 55.572 55.803 0.346 0.000 0.908 318 Q CB 1.356 30.248 28.738 0.256 0.000 1.245 318 Q HN 0.682 nan 8.270 nan 0.000 0.437 319 I N -1.310 119.514 120.570 0.423 0.000 2.686 319 I HA 0.660 4.830 4.170 -0.000 0.000 0.295 319 I C -1.532 174.500 176.117 -0.142 0.000 1.114 319 I CA -1.348 60.069 61.300 0.196 0.000 1.038 319 I CB 1.781 39.739 38.000 -0.070 0.000 1.238 319 I HN 0.542 nan 8.210 nan 0.000 0.420 320 L N 7.307 128.192 121.223 -0.562 0.000 2.349 320 L HA 0.794 5.133 4.340 -0.000 0.000 0.278 320 L C -1.167 175.524 176.870 -0.299 0.000 0.996 320 L CA -0.524 53.895 54.840 -0.702 0.000 0.825 320 L CB 1.494 42.580 42.059 -1.622 0.000 1.243 320 L HN 0.832 nan 8.230 nan 0.000 0.412 321 L N 2.435 123.622 121.223 -0.060 0.000 2.600 321 L HA 1.102 5.442 4.340 -0.000 0.000 0.257 321 L C -0.770 175.918 176.870 -0.304 0.000 1.048 321 L CA -0.418 54.397 54.840 -0.042 0.000 0.869 321 L CB 1.863 43.876 42.059 -0.077 0.000 1.482 321 L HN 0.663 nan 8.230 nan 0.000 0.408 322 G N -0.184 108.197 108.800 -0.699 0.000 2.427 322 G HA2 0.596 4.555 3.960 -0.000 0.000 0.306 322 G HA3 0.596 4.555 3.960 -0.000 0.000 0.306 322 G C -1.385 173.141 174.900 -0.624 0.000 1.280 322 G CA 0.062 44.423 45.100 -1.231 0.000 0.837 322 G HN 1.544 nan 8.290 nan 0.000 0.482 323 V N -2.997 116.729 119.914 -0.314 0.000 3.103 323 V HA 0.882 5.002 4.120 -0.000 0.000 0.311 323 V C -1.322 174.892 176.094 0.200 0.000 1.322 323 V CA -1.353 60.999 62.300 0.086 0.000 1.063 323 V CB 1.801 33.699 31.823 0.125 0.000 1.090 323 V HN 0.736 nan 8.190 nan 0.000 0.462 324 N N 0.453 119.259 118.700 0.176 0.000 2.384 324 N HA 0.452 5.192 4.740 -0.000 0.000 0.301 324 N C 0.431 175.877 175.510 -0.106 0.000 1.133 324 N CA -0.390 52.719 53.050 0.098 0.000 0.853 324 N CB 2.060 40.724 38.487 0.295 0.000 1.241 324 N HN 0.946 nan 8.380 nan 0.000 0.502 325 K N 0.350 120.551 120.400 -0.333 0.000 2.044 325 K HA -0.104 4.216 4.320 -0.000 0.000 0.210 325 K C -0.563 176.117 176.600 0.133 0.000 1.049 325 K CA 1.453 57.663 56.287 -0.128 0.000 0.927 325 K CB 0.156 32.614 32.500 -0.069 0.000 0.713 325 K HN 0.508 nan 8.250 nan 0.000 0.443 326 D N 1.250 121.724 120.400 0.122 0.000 2.683 326 D HA 0.034 4.674 4.640 -0.000 0.000 0.309 326 D C 0.155 176.568 176.300 0.188 0.000 1.238 326 D CA -0.094 53.999 54.000 0.155 0.000 0.936 326 D CB 1.236 42.103 40.800 0.112 0.000 1.001 326 D HN 0.221 nan 8.370 nan 0.000 0.505 327 E N 0.581 120.914 120.200 0.222 0.000 2.160 327 E HA -0.125 4.225 4.350 -0.000 0.000 0.195 327 E C 1.986 178.744 176.600 0.263 0.000 0.991 327 E CA 0.717 57.282 56.400 0.274 0.000 0.810 327 E CB 0.114 29.951 29.700 0.228 0.000 0.742 327 E HN 0.434 nan 8.360 nan 0.000 0.466 328 G N 1.322 110.249 108.800 0.212 0.000 2.494 328 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.216 328 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.216 328 G C 1.737 176.781 174.900 0.241 0.000 1.140 328 G CA 0.930 46.168 45.100 0.229 0.000 0.801 328 G HN 0.376 nan 8.290 nan 0.000 0.536 329 S N 0.852 116.661 115.700 0.182 0.000 2.372 329 S HA -0.253 4.217 4.470 -0.000 0.000 0.227 329 S C 2.120 176.747 174.600 0.046 0.000 1.044 329 S CA 1.437 59.714 58.200 0.128 0.000 1.050 329 S CB -0.668 62.531 63.200 -0.001 0.000 0.901 329 S HN 0.136 nan 8.310 nan 0.000 0.447 330 F N 2.106 121.930 119.950 -0.210 0.000 2.126 330 F HA 0.034 4.561 4.527 -0.000 0.000 0.299 330 F C 1.847 177.343 175.800 -0.507 0.000 1.096 330 F CA 0.286 58.000 58.000 -0.477 0.000 1.255 330 F CB -1.060 37.565 39.000 -0.625 0.000 0.997 330 F HN 0.214 nan 8.300 nan 0.000 0.479 331 F N -0.549 119.360 119.950 -0.067 0.000 2.259 331 F HA -0.090 4.436 4.527 -0.000 0.000 0.298 331 F C 2.322 178.062 175.800 -0.100 0.000 1.088 331 F CA 0.686 58.575 58.000 -0.183 0.000 1.358 331 F CB -1.055 37.765 39.000 -0.300 0.000 1.040 331 F HN -0.138 nan 8.300 nan 0.000 0.505 332 L N -0.568 120.624 121.223 -0.051 0.000 2.046 332 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 332 L C 2.482 179.154 176.870 -0.330 0.000 1.077 332 L CA 0.647 55.211 54.840 -0.460 0.000 0.747 332 L CB -0.688 40.671 42.059 -1.167 0.000 0.896 332 L HN 0.179 nan 8.230 nan 0.000 0.432 333 L N -0.873 120.360 121.223 0.017 0.000 2.043 333 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 333 L C 2.309 179.356 176.870 0.295 0.000 1.075 333 L CA 2.037 57.074 54.840 0.329 0.000 0.752 333 L CB -0.750 41.536 42.059 0.378 0.000 0.891 333 L HN 0.128 nan 8.230 nan 0.000 0.432 334 Y N -0.865 119.490 120.300 0.092 0.000 2.395 334 Y HA 0.156 4.705 4.550 -0.000 0.000 0.293 334 Y C 2.312 178.196 175.900 -0.028 0.000 1.123 334 Y CA 1.096 59.221 58.100 0.041 0.000 1.227 334 Y CB -0.262 38.149 38.460 -0.082 0.000 1.012 334 Y HN 0.287 nan 8.280 nan 0.000 0.552 335 G N -1.575 107.287 108.800 0.104 0.000 2.649 335 G HA2 0.356 4.316 3.960 -0.000 0.000 0.199 335 G HA3 0.356 4.316 3.960 -0.000 0.000 0.199 335 G C 0.413 175.341 174.900 0.046 0.000 1.085 335 G CA 0.384 45.503 45.100 0.033 0.000 0.804 335 G HN 0.292 nan 8.290 nan 0.000 0.671 336 A N 0.820 123.680 122.820 0.066 0.000 2.332 336 A HA 0.676 4.996 4.320 -0.000 0.000 0.258 336 A C -2.461 175.300 177.584 0.294 0.000 1.087 336 A CA -0.823 51.318 52.037 0.174 0.000 0.802 336 A CB 0.331 19.438 19.000 0.179 0.000 1.042 336 A HN 0.100 nan 8.150 nan 0.000 0.489 337 P HA 0.425 nan 4.420 nan 0.000 0.285 337 P C 0.868 178.218 177.300 0.084 0.000 1.259 337 P CA 1.345 64.522 63.100 0.128 0.000 0.794 337 P CB 1.381 33.115 31.700 0.058 0.000 0.940 338 G N 1.781 110.585 108.800 0.007 0.000 2.232 338 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.226 338 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.226 338 G C -0.089 174.621 174.900 -0.317 0.000 0.996 338 G CA -0.533 44.456 45.100 -0.185 0.000 0.626 338 G HN 0.378 nan 8.290 nan 0.000 0.509 339 F N 1.867 121.782 119.950 -0.059 0.000 2.384 339 F HA 0.721 5.248 4.527 -0.000 0.000 0.338 339 F C 0.810 176.636 175.800 0.044 0.000 1.103 339 F CA 0.322 58.276 58.000 -0.075 0.000 1.157 339 F CB 1.936 40.952 39.000 0.026 0.000 1.167 339 F HN 0.165 nan 8.300 nan 0.000 0.529 340 S N 1.750 117.589 115.700 0.233 0.000 2.588 340 S HA 0.328 4.798 4.470 -0.000 0.000 0.275 340 S C 0.186 175.054 174.600 0.447 0.000 1.130 340 S CA -0.832 57.528 58.200 0.267 0.000 0.855 340 S CB 1.848 65.115 63.200 0.112 0.000 1.116 340 S HN 0.765 nan 8.310 nan 0.000 0.472 341 K N 0.513 121.086 120.400 0.288 0.000 2.356 341 K HA 0.180 4.500 4.320 -0.000 0.000 0.195 341 K C -0.372 176.306 176.600 0.130 0.000 1.037 341 K CA 0.488 56.891 56.287 0.194 0.000 1.014 341 K CB 0.094 32.520 32.500 -0.123 0.000 0.815 341 K HN 0.572 nan 8.250 nan 0.000 0.507 342 D N 1.260 121.727 120.400 0.112 0.000 2.615 342 D HA 0.054 4.694 4.640 -0.000 0.000 0.236 342 D C -0.497 175.851 176.300 0.080 0.000 1.233 342 D CA 0.137 54.175 54.000 0.064 0.000 0.829 342 D CB 0.822 41.637 40.800 0.024 0.000 1.024 342 D HN 0.189 nan 8.370 nan 0.000 0.490 343 S N -1.020 114.763 115.700 0.139 0.000 2.627 343 S HA 0.104 4.574 4.470 -0.000 0.000 0.268 343 S C 0.251 174.913 174.600 0.103 0.000 1.130 343 S CA -0.927 57.320 58.200 0.078 0.000 0.819 343 S CB 1.001 64.199 63.200 -0.003 0.000 1.100 343 S HN 0.031 nan 8.310 nan 0.000 0.465 344 E N 0.470 120.677 120.200 0.012 0.000 2.485 344 E HA 0.202 4.552 4.350 -0.000 0.000 0.194 344 E C -0.163 176.173 176.600 -0.440 0.000 1.098 344 E CA 0.319 56.694 56.400 -0.043 0.000 0.878 344 E CB -0.667 29.039 29.700 0.010 0.000 0.939 344 E HN 0.672 nan 8.360 nan 0.000 0.503 345 S N 1.172 116.561 115.700 -0.518 0.000 3.410 345 S HA -0.196 4.273 4.470 -0.000 0.000 0.369 345 S C -0.275 173.953 174.600 -0.620 0.000 0.961 345 S CA 0.810 58.587 58.200 -0.704 0.000 1.248 345 S CB -1.234 61.221 63.200 -1.242 0.000 0.914 345 S HN 0.420 nan 8.310 nan 0.000 0.497 346 K N 1.111 121.287 120.400 -0.374 0.000 2.402 346 K HA 0.158 4.477 4.320 -0.000 0.000 0.285 346 K C 0.455 176.865 176.600 -0.317 0.000 1.054 346 K CA -0.080 56.036 56.287 -0.285 0.000 1.001 346 K CB 0.277 32.671 32.500 -0.177 0.000 0.946 346 K HN 0.246 nan 8.250 nan 0.000 0.473 347 I N 2.735 123.107 120.570 -0.328 0.000 2.428 347 I HA 0.017 4.186 4.170 -0.000 0.000 0.289 347 I C 1.184 177.211 176.117 -0.151 0.000 1.019 347 I CA -0.121 61.004 61.300 -0.291 0.000 1.351 347 I CB 0.996 38.824 38.000 -0.287 0.000 1.412 347 I HN 0.637 nan 8.210 nan 0.000 0.513 348 S N 5.934 121.568 115.700 -0.110 0.000 2.645 348 S HA 0.333 4.803 4.470 -0.000 0.000 0.266 348 S C 1.071 175.668 174.600 -0.004 0.000 1.258 348 S CA -0.506 57.656 58.200 -0.064 0.000 0.990 348 S CB 1.571 64.741 63.200 -0.051 0.000 0.967 348 S HN 0.581 nan 8.310 nan 0.000 0.556 349 R N 0.627 121.119 120.500 -0.013 0.000 2.096 349 R HA -0.040 4.300 4.340 -0.000 0.000 0.235 349 R C 2.194 178.564 176.300 0.117 0.000 1.127 349 R CA 2.050 58.166 56.100 0.027 0.000 0.968 349 R CB -0.733 29.566 30.300 -0.001 0.000 0.861 349 R HN 0.923 nan 8.270 nan 0.000 0.440 350 E N -0.439 119.803 120.200 0.071 0.000 2.107 350 E HA -0.148 4.201 4.350 -0.000 0.000 0.191 350 E C 0.823 177.465 176.600 0.070 0.000 0.982 350 E CA 1.242 57.683 56.400 0.069 0.000 0.809 350 E CB 0.038 29.759 29.700 0.036 0.000 0.756 350 E HN 0.323 nan 8.360 nan 0.000 0.459 351 D N -0.000 120.434 120.400 0.057 0.000 2.183 351 D HA -0.126 4.513 4.640 -0.000 0.000 0.203 351 D C 1.600 177.952 176.300 0.085 0.000 0.969 351 D CA 0.490 54.517 54.000 0.044 0.000 0.842 351 D CB -0.270 40.523 40.800 -0.011 0.000 0.957 351 D HN 0.197 nan 8.370 nan 0.000 0.484 352 F N 1.491 121.428 119.950 -0.021 0.000 2.075 352 F HA -0.228 4.299 4.527 -0.000 0.000 0.297 352 F C 2.137 177.948 175.800 0.019 0.000 1.113 352 F CA 1.256 59.256 58.000 -0.001 0.000 1.218 352 F CB -0.131 38.848 39.000 -0.035 0.000 0.984 352 F HN -0.195 nan 8.300 nan 0.000 0.472 353 M N 0.012 119.678 119.600 0.111 0.000 2.149 353 M HA -0.187 4.293 4.480 -0.000 0.000 0.261 353 M C 2.317 178.578 176.300 -0.064 0.000 1.064 353 M CA 1.476 56.785 55.300 0.015 0.000 1.102 353 M CB -1.852 30.810 32.600 0.105 0.000 1.369 353 M HN 0.122 nan 8.290 nan 0.000 0.408 354 S N 0.457 116.140 115.700 -0.028 0.000 2.355 354 S HA -0.029 4.441 4.470 -0.000 0.000 0.222 354 S C 2.097 176.662 174.600 -0.058 0.000 1.031 354 S CA 1.331 59.515 58.200 -0.027 0.000 0.993 354 S CB -0.797 62.407 63.200 0.008 0.000 0.859 354 S HN 0.651 nan 8.310 nan 0.000 0.453 355 G N 1.365 110.122 108.800 -0.070 0.000 2.422 355 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.218 355 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.218 355 G C 1.437 176.238 174.900 -0.165 0.000 1.146 355 G CA 0.923 45.979 45.100 -0.072 0.000 0.769 355 G HN 0.405 nan 8.290 nan 0.000 0.547 356 V N 0.496 120.235 119.914 -0.292 0.000 2.332 356 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 356 V C 2.738 178.738 176.094 -0.157 0.000 1.055 356 V CA 2.266 64.402 62.300 -0.273 0.000 1.038 356 V CB -0.351 31.277 31.823 -0.325 0.000 0.651 356 V HN 0.369 nan 8.190 nan 0.000 0.450 357 K N -0.361 119.962 120.400 -0.129 0.000 2.025 357 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 357 K C 2.145 178.678 176.600 -0.111 0.000 1.049 357 K CA 1.383 57.602 56.287 -0.114 0.000 0.933 357 K CB -0.210 32.241 32.500 -0.082 0.000 0.714 357 K HN 0.369 nan 8.250 nan 0.000 0.438 358 L N 0.534 121.710 121.223 -0.078 0.000 2.131 358 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 358 L C 2.281 179.119 176.870 -0.054 0.000 1.092 358 L CA 1.034 55.842 54.840 -0.053 0.000 0.759 358 L CB -0.222 41.819 42.059 -0.029 0.000 0.903 358 L HN 0.132 nan 8.230 nan 0.000 0.435 359 S N -1.045 114.611 115.700 -0.073 0.000 2.436 359 S HA -0.006 4.464 4.470 -0.000 0.000 0.228 359 S C 1.032 175.580 174.600 -0.086 0.000 1.014 359 S CA 0.546 58.706 58.200 -0.066 0.000 0.950 359 S CB 0.281 63.427 63.200 -0.089 0.000 0.784 359 S HN 0.183 nan 8.310 nan 0.000 0.504 360 V N 2.723 122.554 119.914 -0.139 0.000 2.572 360 V HA 0.194 4.314 4.120 -0.000 0.000 0.274 360 V C -1.737 174.161 176.094 -0.326 0.000 1.075 360 V CA -1.296 60.860 62.300 -0.239 0.000 1.237 360 V CB 0.603 32.286 31.823 -0.233 0.000 1.517 360 V HN 0.180 nan 8.190 nan 0.000 0.616 361 P HA -0.245 nan 4.420 nan 0.000 0.217 361 P C 1.304 178.046 177.300 -0.932 0.000 1.151 361 P CA 1.896 64.711 63.100 -0.475 0.000 0.849 361 P CB -0.046 31.494 31.700 -0.267 0.000 0.787 362 H N -0.713 117.970 119.070 -0.645 0.000 2.555 362 H HA 0.377 4.933 4.556 -0.000 0.000 0.269 362 H C 0.590 175.745 175.328 -0.289 0.000 0.988 362 H CA 0.120 55.868 56.048 -0.500 0.000 1.178 362 H CB -0.790 28.900 29.762 -0.120 0.000 1.373 362 H HN 0.014 nan 8.280 nan 0.000 0.588 363 A N 2.311 124.708 122.820 -0.704 0.000 2.354 363 A HA 0.253 4.573 4.320 -0.000 0.000 0.269 363 A C 0.321 177.751 177.584 -0.257 0.000 1.109 363 A CA -0.371 51.388 52.037 -0.463 0.000 0.800 363 A CB 0.264 19.004 19.000 -0.433 0.000 1.045 363 A HN 0.687 nan 8.150 nan 0.000 0.489 364 N N 0.735 119.339 118.700 -0.161 0.000 2.413 364 N HA 0.060 4.799 4.740 -0.000 0.000 0.266 364 N C 0.599 176.060 175.510 -0.082 0.000 1.238 364 N CA -0.167 52.825 53.050 -0.097 0.000 0.972 364 N CB 0.331 38.781 38.487 -0.062 0.000 1.210 364 N HN 0.614 nan 8.380 nan 0.000 0.547 365 D N -0.789 119.581 120.400 -0.050 0.000 2.133 365 D HA -0.183 4.457 4.640 -0.000 0.000 0.195 365 D C 1.528 177.818 176.300 -0.017 0.000 0.997 365 D CA 1.087 55.068 54.000 -0.031 0.000 0.840 365 D CB 0.113 40.904 40.800 -0.015 0.000 0.947 365 D HN 0.457 nan 8.370 nan 0.000 0.452 366 L N 0.755 121.967 121.223 -0.017 0.000 2.083 366 L HA 0.015 4.355 4.340 -0.000 0.000 0.209 366 L C 2.374 179.248 176.870 0.007 0.000 1.083 366 L CA 2.160 57.000 54.840 0.001 0.000 0.752 366 L CB -0.868 41.185 42.059 -0.009 0.000 0.899 366 L HN 0.072 nan 8.230 nan 0.000 0.433 367 G N -0.346 108.434 108.800 -0.033 0.000 2.421 367 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 367 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 367 G C 1.577 176.481 174.900 0.008 0.000 1.171 367 G CA 1.073 46.149 45.100 -0.039 0.000 0.775 367 G HN 0.425 nan 8.290 nan 0.000 0.543 368 L N 0.521 121.730 121.223 -0.024 0.000 2.043 368 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 368 L C 2.573 179.476 176.870 0.055 0.000 1.075 368 L CA 1.355 56.193 54.840 -0.004 0.000 0.752 368 L CB -0.496 41.544 42.059 -0.031 0.000 0.891 368 L HN 0.120 nan 8.230 nan 0.000 0.432 369 D N 0.260 120.699 120.400 0.066 0.000 2.097 369 D HA -0.169 4.471 4.640 -0.000 0.000 0.195 369 D C 2.255 178.634 176.300 0.131 0.000 0.989 369 D CA 1.568 55.629 54.000 0.101 0.000 0.827 369 D CB -0.182 40.666 40.800 0.081 0.000 0.966 369 D HN 0.307 nan 8.370 nan 0.000 0.456 370 A N 0.778 123.692 122.820 0.157 0.000 1.884 370 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 370 A C 2.586 180.249 177.584 0.131 0.000 1.197 370 A CA 2.148 54.335 52.037 0.250 0.000 0.637 370 A CB -1.028 18.227 19.000 0.424 0.000 0.827 370 A HN 0.160 nan 8.150 nan 0.000 0.450 371 V N -0.256 119.754 119.914 0.160 0.000 2.287 371 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 371 V C 2.735 178.880 176.094 0.085 0.000 1.053 371 V CA 2.594 64.908 62.300 0.024 0.000 1.027 371 V CB -1.544 30.350 31.823 0.119 0.000 0.646 371 V HN 0.647 nan 8.190 nan 0.000 0.447 372 T N 0.575 115.215 114.554 0.142 0.000 2.652 372 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 372 T C 1.920 176.759 174.700 0.232 0.000 1.039 372 T CA 2.027 64.278 62.100 0.251 0.000 1.153 372 T CB -0.437 68.595 68.868 0.273 0.000 0.863 372 T HN 0.332 nan 8.240 nan 0.000 0.428 373 L N 1.136 122.476 121.223 0.196 0.000 2.042 373 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 373 L C 2.518 179.402 176.870 0.023 0.000 1.076 373 L CA 1.867 56.834 54.840 0.211 0.000 0.749 373 L CB -0.769 41.379 42.059 0.148 0.000 0.893 373 L HN 0.140 nan 8.230 nan 0.000 0.432 374 Q N -1.142 118.554 119.800 -0.175 0.000 2.124 374 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 374 Q C 1.177 176.912 176.000 -0.443 0.000 0.977 374 Q CA 1.954 57.477 55.803 -0.466 0.000 0.850 374 Q CB -0.256 27.851 28.738 -1.052 0.000 0.901 374 Q HN 0.700 nan 8.270 nan 0.000 0.429 375 Y N -0.779 119.445 120.300 -0.126 0.000 2.571 375 Y HA 0.333 4.883 4.550 -0.000 0.000 0.275 375 Y C -0.276 175.576 175.900 -0.080 0.000 1.179 375 Y CA -0.182 57.902 58.100 -0.026 0.000 1.242 375 Y CB 0.801 39.331 38.460 0.117 0.000 1.126 375 Y HN -0.170 nan 8.280 nan 0.000 0.524 376 T N 0.329 114.815 114.554 -0.114 0.000 2.797 376 T HA 0.158 4.508 4.350 -0.000 0.000 0.279 376 T C -1.029 173.335 174.700 -0.561 0.000 0.991 376 T CA -0.718 61.085 62.100 -0.495 0.000 0.979 376 T CB 1.265 69.614 68.868 -0.865 0.000 0.943 376 T HN 0.023 nan 8.240 nan 0.000 0.444 377 D N 1.740 121.828 120.400 -0.520 0.000 2.428 377 D HA 0.184 4.824 4.640 -0.000 0.000 0.221 377 D C -0.087 175.988 176.300 -0.376 0.000 1.123 377 D CA -0.806 53.001 54.000 -0.322 0.000 0.869 377 D CB 0.374 41.060 40.800 -0.191 0.000 1.032 377 D HN 0.584 nan 8.370 nan 0.000 0.506 378 W N 3.262 124.523 121.300 -0.065 0.000 3.096 378 W HA 0.089 4.748 4.660 -0.000 0.000 0.241 378 W C 1.646 178.135 176.519 -0.050 0.000 1.316 378 W CA -0.229 57.081 57.345 -0.058 0.000 1.520 378 W CB -0.043 29.388 29.460 -0.048 0.000 1.128 378 W HN 0.396 nan 8.180 nan 0.000 0.707 379 M N -0.520 119.133 119.600 0.089 0.000 2.502 379 M HA 0.056 4.536 4.480 -0.000 0.000 0.243 379 M C -0.142 176.163 176.300 0.009 0.000 1.130 379 M CA 1.161 56.492 55.300 0.052 0.000 1.055 379 M CB 0.119 32.733 32.600 0.024 0.000 1.457 379 M HN -0.155 nan 8.290 nan 0.000 0.488 380 D N 0.572 120.950 120.400 -0.037 0.000 3.443 380 D HA -0.010 4.630 4.640 -0.000 0.000 0.243 380 D C -0.115 176.094 176.300 -0.151 0.000 1.446 380 D CA 0.013 53.972 54.000 -0.069 0.000 0.880 380 D CB 0.300 41.062 40.800 -0.063 0.000 1.470 380 D HN 0.210 nan 8.370 nan 0.000 0.658 381 D N -0.114 120.184 120.400 -0.171 0.000 2.340 381 D HA 0.008 4.648 4.640 -0.000 0.000 0.220 381 D C 0.281 176.428 176.300 -0.254 0.000 1.039 381 D CA -0.018 53.786 54.000 -0.326 0.000 0.866 381 D CB -0.020 40.517 40.800 -0.440 0.000 0.913 381 D HN 0.335 nan 8.370 nan 0.000 0.523 382 N N 0.208 118.819 118.700 -0.149 0.000 2.203 382 N HA -0.026 4.714 4.740 -0.000 0.000 0.207 382 N C 0.103 175.542 175.510 -0.119 0.000 1.130 382 N CA -0.352 52.628 53.050 -0.117 0.000 0.861 382 N CB 0.235 38.685 38.487 -0.063 0.000 1.005 382 N HN 0.000 nan 8.380 nan 0.000 0.507 383 N N 1.209 119.827 118.700 -0.136 0.000 2.406 383 N HA -0.015 4.725 4.740 -0.000 0.000 0.274 383 N C 1.208 176.641 175.510 -0.128 0.000 1.249 383 N CA 0.094 53.076 53.050 -0.115 0.000 0.951 383 N CB 0.851 39.272 38.487 -0.109 0.000 1.241 383 N HN 0.245 nan 8.380 nan 0.000 0.485 384 G N 5.078 113.811 108.800 -0.112 0.000 2.513 384 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 384 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 384 G C 1.603 176.429 174.900 -0.122 0.000 1.160 384 G CA 0.547 45.571 45.100 -0.126 0.000 0.767 384 G HN 0.630 nan 8.290 nan 0.000 0.571 385 I N 1.012 121.529 120.570 -0.089 0.000 2.058 385 I HA -0.182 3.988 4.170 -0.000 0.000 0.235 385 I C 2.684 178.777 176.117 -0.041 0.000 1.053 385 I CA 1.709 62.976 61.300 -0.056 0.000 1.313 385 I CB -1.293 36.693 38.000 -0.024 0.000 1.039 385 I HN 0.229 nan 8.210 nan 0.000 0.396 386 K N 0.715 121.081 120.400 -0.057 0.000 2.077 386 K HA -0.248 4.072 4.320 -0.000 0.000 0.213 386 K C 1.833 178.390 176.600 -0.072 0.000 1.051 386 K CA 1.954 58.203 56.287 -0.064 0.000 0.929 386 K CB -0.322 32.106 32.500 -0.119 0.000 0.715 386 K HN 0.396 nan 8.250 nan 0.000 0.451 387 N N 0.479 119.089 118.700 -0.151 0.000 2.104 387 N HA -0.195 4.545 4.740 -0.000 0.000 0.190 387 N C 1.813 177.416 175.510 0.154 0.000 1.024 387 N CA 0.906 53.864 53.050 -0.154 0.000 0.853 387 N CB -0.265 38.090 38.487 -0.219 0.000 1.008 387 N HN 0.242 nan 8.380 nan 0.000 0.424 388 R N 1.390 121.927 120.500 0.060 0.000 2.070 388 R HA -0.113 4.227 4.340 -0.000 0.000 0.233 388 R C 0.902 177.348 176.300 0.244 0.000 1.137 388 R CA 1.486 57.655 56.100 0.116 0.000 0.945 388 R CB -0.240 30.016 30.300 -0.073 0.000 0.845 388 R HN 0.129 nan 8.270 nan 0.000 0.430 389 D N -0.546 119.963 120.400 0.183 0.000 2.178 389 D HA -0.101 4.539 4.640 -0.000 0.000 0.201 389 D C 1.695 178.132 176.300 0.227 0.000 0.980 389 D CA 1.399 55.525 54.000 0.210 0.000 0.842 389 D CB -0.430 40.466 40.800 0.161 0.000 0.948 389 D HN 0.524 nan 8.370 nan 0.000 0.472 390 G N 0.766 109.709 108.800 0.239 0.000 2.418 390 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 390 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 390 G C 1.810 176.852 174.900 0.237 0.000 1.158 390 G CA 0.190 45.475 45.100 0.309 0.000 0.771 390 G HN 0.247 nan 8.290 nan 0.000 0.545 391 L N 0.272 121.664 121.223 0.283 0.000 2.056 391 L HA -0.043 4.297 4.340 -0.000 0.000 0.207 391 L C 2.618 179.542 176.870 0.091 0.000 1.078 391 L CA 1.366 56.285 54.840 0.132 0.000 0.749 391 L CB -0.370 41.838 42.059 0.248 0.000 0.901 391 L HN 0.212 nan 8.230 nan 0.000 0.433 392 D N 0.269 120.779 120.400 0.183 0.000 2.106 392 D HA -0.257 4.383 4.640 -0.000 0.000 0.191 392 D C 1.737 178.110 176.300 0.123 0.000 0.997 392 D CA 1.715 55.819 54.000 0.173 0.000 0.834 392 D CB -0.007 40.942 40.800 0.250 0.000 0.956 392 D HN 0.194 nan 8.370 nan 0.000 0.448 393 D N -0.281 120.201 120.400 0.137 0.000 2.117 393 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 393 D C 2.370 178.673 176.300 0.005 0.000 0.987 393 D CA 0.575 54.666 54.000 0.152 0.000 0.829 393 D CB -0.274 40.712 40.800 0.309 0.000 0.961 393 D HN 0.379 nan 8.370 nan 0.000 0.460 394 I N 0.640 121.063 120.570 -0.245 0.000 2.127 394 I HA -0.263 3.907 4.170 -0.000 0.000 0.241 394 I C 2.472 178.466 176.117 -0.204 0.000 1.075 394 I CA 0.807 61.907 61.300 -0.333 0.000 1.334 394 I CB -0.227 37.558 38.000 -0.358 0.000 1.040 394 I HN -0.107 nan 8.210 nan 0.000 0.405 395 V N 0.965 120.805 119.914 -0.124 0.000 2.392 395 V HA -0.232 3.888 4.120 -0.000 0.000 0.249 395 V C 2.498 178.509 176.094 -0.139 0.000 1.059 395 V CA 2.139 64.377 62.300 -0.103 0.000 1.051 395 V CB -1.555 30.270 31.823 0.003 0.000 0.658 395 V HN 0.604 nan 8.190 nan 0.000 0.455 396 G N -0.002 108.769 108.800 -0.049 0.000 2.434 396 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.214 396 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.214 396 G C 1.227 176.071 174.900 -0.094 0.000 1.202 396 G CA 0.994 46.085 45.100 -0.016 0.000 0.788 396 G HN 0.504 nan 8.290 nan 0.000 0.539 397 D N 0.030 120.390 120.400 -0.067 0.000 2.104 397 D HA -0.129 4.511 4.640 -0.000 0.000 0.194 397 D C 2.087 178.099 176.300 -0.479 0.000 0.994 397 D CA 1.524 55.461 54.000 -0.105 0.000 0.830 397 D CB -0.560 40.356 40.800 0.193 0.000 0.959 397 D HN 0.447 nan 8.370 nan 0.000 0.452 398 H N 0.869 119.335 119.070 -1.008 0.000 2.389 398 H HA 0.018 4.574 4.556 -0.000 0.000 0.299 398 H C 1.457 176.399 175.328 -0.643 0.000 1.081 398 H CA 1.640 56.953 56.048 -1.226 0.000 1.345 398 H CB 0.101 28.929 29.762 -1.557 0.000 1.393 398 H HN 0.005 nan 8.280 nan 0.000 0.520 399 N N -0.853 117.393 118.700 -0.756 0.000 2.388 399 N HA 0.017 4.757 4.740 -0.000 0.000 0.176 399 N C 1.068 176.336 175.510 -0.402 0.000 1.062 399 N CA 0.960 53.527 53.050 -0.805 0.000 0.895 399 N CB 1.215 38.799 38.487 -1.504 0.000 1.018 399 N HN 0.266 nan 8.380 nan 0.000 0.456 400 V N 0.511 120.262 119.914 -0.272 0.000 3.278 400 V HA 0.166 4.285 4.120 -0.000 0.000 0.215 400 V C 2.064 178.136 176.094 -0.036 0.000 1.287 400 V CA -0.085 62.183 62.300 -0.053 0.000 1.302 400 V CB 0.146 32.012 31.823 0.071 0.000 1.228 400 V HN -0.071 nan 8.190 nan 0.000 0.523 401 I N 0.594 121.158 120.570 -0.010 0.000 2.099 401 I HA -0.318 3.851 4.170 -0.000 0.000 0.239 401 I C 2.547 178.675 176.117 0.018 0.000 1.066 401 I CA 2.062 63.381 61.300 0.032 0.000 1.324 401 I CB -0.434 37.622 38.000 0.093 0.000 1.037 401 I HN 0.402 nan 8.210 nan 0.000 0.401 402 c N 0.717 119.323 118.600 0.010 0.000 2.440 402 c HA -0.022 4.548 4.570 -0.000 0.000 0.278 402 c C 0.181 174.296 174.090 0.041 0.000 1.295 402 c CA 0.553 56.923 56.329 0.070 0.000 1.738 402 c CB -1.887 40.717 42.510 0.156 0.000 1.987 402 c HN 0.417 nan 8.230 nan 0.000 0.492 403 P HA -0.103 nan 4.420 nan 0.000 0.217 403 P C 1.692 179.005 177.300 0.023 0.000 1.150 403 P CA 1.179 64.244 63.100 -0.058 0.000 0.832 403 P CB -0.238 31.334 31.700 -0.213 0.000 0.787 404 L N -1.826 119.395 121.223 -0.004 0.000 2.072 404 L HA -0.091 4.249 4.340 -0.000 0.000 0.205 404 L C 2.273 179.184 176.870 0.068 0.000 1.079 404 L CA 1.584 56.436 54.840 0.019 0.000 0.752 404 L CB -0.597 41.448 42.059 -0.023 0.000 0.906 404 L HN -0.172 nan 8.230 nan 0.000 0.436 405 M N -0.756 118.870 119.600 0.044 0.000 2.159 405 M HA -0.236 4.244 4.480 -0.000 0.000 0.263 405 M C 2.291 178.646 176.300 0.092 0.000 1.063 405 M CA 1.691 57.010 55.300 0.032 0.000 1.110 405 M CB -1.601 31.034 32.600 0.058 0.000 1.374 405 M HN 0.439 nan 8.290 nan 0.000 0.411 406 H N -0.167 118.929 119.070 0.043 0.000 2.321 406 H HA -0.185 4.371 4.556 -0.000 0.000 0.300 406 H C 1.826 177.180 175.328 0.042 0.000 1.087 406 H CA 2.079 58.156 56.048 0.047 0.000 1.319 406 H CB -0.466 29.322 29.762 0.044 0.000 1.379 406 H HN 0.247 nan 8.280 nan 0.000 0.501 407 F N 0.370 120.272 119.950 -0.081 0.000 2.095 407 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 407 F C 2.220 177.931 175.800 -0.148 0.000 1.104 407 F CA 1.633 59.538 58.000 -0.158 0.000 1.232 407 F CB -0.725 38.191 39.000 -0.140 0.000 0.987 407 F HN 0.079 nan 8.300 nan 0.000 0.475 408 V N 1.181 121.017 119.914 -0.131 0.000 2.220 408 V HA -0.392 3.727 4.120 -0.000 0.000 0.246 408 V C 2.335 178.283 176.094 -0.243 0.000 1.049 408 V CA 2.331 64.450 62.300 -0.303 0.000 1.003 408 V CB -1.072 30.460 31.823 -0.486 0.000 0.634 408 V HN 0.390 nan 8.190 nan 0.000 0.444 409 N N 0.223 118.860 118.700 -0.105 0.000 2.036 409 N HA -0.200 4.540 4.740 -0.000 0.000 0.195 409 N C 1.851 177.306 175.510 -0.092 0.000 1.037 409 N CA 1.503 54.577 53.050 0.040 0.000 0.855 409 N CB -0.363 38.170 38.487 0.077 0.000 1.033 409 N HN 0.425 nan 8.380 nan 0.000 0.423 410 K N 0.616 120.871 120.400 -0.243 0.000 2.063 410 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 410 K C 2.053 178.519 176.600 -0.223 0.000 1.048 410 K CA 0.853 56.983 56.287 -0.262 0.000 0.928 410 K CB -0.802 31.468 32.500 -0.384 0.000 0.713 410 K HN 0.341 nan 8.250 nan 0.000 0.442 411 Y N 2.200 122.191 120.300 -0.514 0.000 2.133 411 Y HA -0.194 4.355 4.550 -0.000 0.000 0.287 411 Y C 2.140 177.980 175.900 -0.100 0.000 1.134 411 Y CA 1.946 59.773 58.100 -0.455 0.000 1.133 411 Y CB -0.490 37.445 38.460 -0.876 0.000 0.987 411 Y HN 0.033 nan 8.280 nan 0.000 0.502 412 T N 0.723 115.283 114.554 0.011 0.000 2.969 412 T HA -0.195 4.155 4.350 -0.000 0.000 0.271 412 T C 1.575 176.215 174.700 -0.100 0.000 1.127 412 T CA 1.555 63.690 62.100 0.059 0.000 1.102 412 T CB -0.245 68.776 68.868 0.254 0.000 0.855 412 T HN 0.358 nan 8.240 nan 0.000 0.536 413 K N -0.281 119.959 120.400 -0.266 0.000 2.228 413 K HA 0.088 4.408 4.320 -0.000 0.000 0.202 413 K C 0.902 177.075 176.600 -0.712 0.000 1.051 413 K CA 0.897 56.864 56.287 -0.535 0.000 0.960 413 K CB 0.100 32.121 32.500 -0.800 0.000 0.743 413 K HN 0.381 nan 8.250 nan 0.000 0.458 414 F N -0.504 119.368 119.950 -0.130 0.000 2.784 414 F HA 0.247 4.773 4.527 -0.000 0.000 0.323 414 F C 1.411 177.062 175.800 -0.249 0.000 1.085 414 F CA -0.692 57.190 58.000 -0.197 0.000 1.196 414 F CB -0.268 38.555 39.000 -0.295 0.000 1.053 414 F HN -0.127 nan 8.300 nan 0.000 0.578 415 G N 0.262 108.940 108.800 -0.202 0.000 2.661 415 G HA2 -0.097 3.862 3.960 -0.000 0.000 0.272 415 G HA3 -0.097 3.862 3.960 -0.000 0.000 0.272 415 G C 0.681 175.611 174.900 0.051 0.000 1.296 415 G CA 0.022 45.036 45.100 -0.144 0.000 0.998 415 G HN 0.344 nan 8.290 nan 0.000 0.553 416 N N -1.309 117.485 118.700 0.156 0.000 2.143 416 N HA 0.221 4.961 4.740 -0.000 0.000 0.222 416 N C 0.317 175.890 175.510 0.105 0.000 1.264 416 N CA 0.519 53.632 53.050 0.105 0.000 0.897 416 N CB 0.808 39.356 38.487 0.101 0.000 1.092 416 N HN 0.817 nan 8.380 nan 0.000 0.516 417 G N 0.612 109.493 108.800 0.135 0.000 1.959 417 G HA2 0.140 4.099 3.960 -0.000 0.000 0.289 417 G HA3 0.140 4.099 3.960 -0.000 0.000 0.289 417 G C -1.421 173.475 174.900 -0.006 0.000 1.705 417 G CA -0.492 44.625 45.100 0.028 0.000 0.913 417 G HN -0.027 nan 8.290 nan 0.000 0.686 418 T N 1.949 116.402 114.554 -0.169 0.000 2.812 418 T HA 0.601 4.951 4.350 -0.000 0.000 0.282 418 T C -1.225 173.260 174.700 -0.358 0.000 0.990 418 T CA -0.286 61.737 62.100 -0.128 0.000 0.960 418 T CB 1.086 69.999 68.868 0.074 0.000 0.948 418 T HN 0.365 nan 8.240 nan 0.000 0.438 419 Y N 2.417 122.719 120.300 0.004 0.000 2.328 419 Y HA 0.616 5.166 4.550 -0.001 0.000 0.333 419 Y C -0.418 175.685 175.900 0.340 0.000 0.958 419 Y CA -1.257 56.867 58.100 0.041 0.000 1.167 419 Y CB 1.315 39.353 38.460 -0.703 0.000 1.151 419 Y HN 0.418 nan 8.280 nan 0.000 0.470 420 L N 6.346 128.017 121.223 0.747 0.000 2.313 420 L HA 0.531 4.871 4.340 -0.000 0.000 0.283 420 L C -1.109 176.105 176.870 0.573 0.000 1.013 420 L CA -1.049 54.081 54.840 0.482 0.000 0.816 420 L CB 0.381 42.592 42.059 0.253 0.000 1.236 420 L HN 0.514 nan 8.230 nan 0.000 0.419 421 Y N 3.562 124.097 120.300 0.391 0.000 2.562 421 Y HA 0.717 5.267 4.550 -0.001 0.000 0.343 421 Y C -1.572 174.563 175.900 0.392 0.000 1.025 421 Y CA -2.127 56.108 58.100 0.226 0.000 1.082 421 Y CB 1.307 39.827 38.460 0.099 0.000 1.264 421 Y HN 0.507 nan 8.280 nan 0.000 0.478 422 F N 4.632 124.900 119.950 0.530 0.000 2.676 422 F HA 0.407 4.933 4.527 -0.001 0.000 0.371 422 F C -1.618 174.468 175.800 0.476 0.000 1.141 422 F CA -1.783 56.473 58.000 0.427 0.000 1.133 422 F CB 0.283 39.526 39.000 0.406 0.000 1.376 422 F HN 0.568 nan 8.300 nan 0.000 0.491 423 F N 7.274 127.331 119.950 0.178 0.000 2.519 423 F HA 0.201 4.727 4.527 -0.000 0.000 0.375 423 F C 0.487 176.134 175.800 -0.255 0.000 1.084 423 F CA 0.121 58.129 58.000 0.013 0.000 1.147 423 F CB 0.394 39.461 39.000 0.111 0.000 1.088 423 F HN 0.545 nan 8.300 nan 0.000 0.555 424 N N 3.919 122.268 118.700 -0.584 0.000 2.610 424 N HA 0.068 4.808 4.740 -0.000 0.000 0.307 424 N C -1.301 173.956 175.510 -0.422 0.000 1.813 424 N CA -0.517 52.274 53.050 -0.431 0.000 0.901 424 N CB -0.476 37.927 38.487 -0.139 0.000 1.354 424 N HN 0.628 nan 8.380 nan 0.000 0.491 425 H N 0.463 118.975 119.070 -0.930 0.000 2.481 425 H HA 0.532 5.088 4.556 -0.000 0.000 0.333 425 H C -0.562 174.570 175.328 -0.327 0.000 1.066 425 H CA -0.636 55.032 56.048 -0.632 0.000 1.209 425 H CB 1.200 30.477 29.762 -0.810 0.000 1.445 425 H HN 0.127 nan 8.280 nan 0.000 0.488 426 R N 4.330 124.346 120.500 -0.806 0.000 2.235 426 R HA 0.499 4.839 4.340 -0.000 0.000 0.338 426 R C -0.643 175.305 176.300 -0.587 0.000 1.087 426 R CA -0.209 55.602 56.100 -0.482 0.000 0.948 426 R CB -0.340 29.811 30.300 -0.249 0.000 1.099 426 R HN 0.759 nan 8.270 nan 0.000 0.483 427 A N 3.317 126.032 122.820 -0.175 0.000 2.587 427 A HA 0.003 4.322 4.320 -0.000 0.000 0.235 427 A C 1.277 178.933 177.584 0.120 0.000 1.044 427 A CA 0.741 52.922 52.037 0.240 0.000 0.754 427 A CB 0.002 19.305 19.000 0.505 0.000 0.968 427 A HN 1.051 nan 8.150 nan 0.000 0.509 428 S N 1.426 117.259 115.700 0.221 0.000 2.423 428 S HA -0.177 4.292 4.470 -0.000 0.000 0.231 428 S C 0.904 175.507 174.600 0.005 0.000 1.014 428 S CA 1.214 59.477 58.200 0.105 0.000 0.965 428 S CB -0.456 62.833 63.200 0.148 0.000 0.785 428 S HN 0.963 nan 8.310 nan 0.000 0.495 429 N N 0.407 119.072 118.700 -0.058 0.000 2.214 429 N HA 0.277 5.017 4.740 -0.000 0.000 0.214 429 N C -0.235 175.191 175.510 -0.141 0.000 1.132 429 N CA -0.492 52.461 53.050 -0.162 0.000 0.856 429 N CB -0.534 37.741 38.487 -0.353 0.000 1.020 429 N HN 0.286 nan 8.380 nan 0.000 0.509 430 L N 1.725 122.910 121.223 -0.063 0.000 2.615 430 L HA -0.066 4.274 4.340 -0.000 0.000 0.284 430 L C 1.396 178.193 176.870 -0.121 0.000 1.237 430 L CA 0.194 54.996 54.840 -0.063 0.000 0.905 430 L CB 0.714 42.747 42.059 -0.044 0.000 1.149 430 L HN 0.263 nan 8.230 nan 0.000 0.499 431 V N 1.602 121.387 119.914 -0.214 0.000 3.041 431 V HA -0.009 4.110 4.120 -0.000 0.000 0.260 431 V C 0.770 176.753 176.094 -0.185 0.000 1.105 431 V CA -0.080 62.049 62.300 -0.286 0.000 1.125 431 V CB -1.269 30.197 31.823 -0.596 0.000 0.730 431 V HN 0.659 nan 8.190 nan 0.000 0.479 432 W N 1.673 122.900 121.300 -0.121 0.000 2.161 432 W HA 0.513 5.172 4.660 -0.000 0.000 0.344 432 W C -1.546 174.835 176.519 -0.230 0.000 1.262 432 W CA -2.039 55.198 57.345 -0.179 0.000 1.270 432 W CB -0.254 28.953 29.460 -0.421 0.000 1.126 432 W HN -0.011 nan 8.180 nan 0.000 0.598 433 P HA -0.048 nan 4.420 nan 0.000 0.272 433 P C 0.134 177.336 177.300 -0.163 0.000 1.254 433 P CA 0.357 63.413 63.100 -0.072 0.000 0.795 433 P CB 0.861 32.543 31.700 -0.029 0.000 1.022 434 E N -0.000 120.168 120.200 -0.052 0.000 2.107 434 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 434 E C 1.940 178.533 176.600 -0.011 0.000 0.982 434 E CA 1.088 57.469 56.400 -0.031 0.000 0.809 434 E CB -0.361 29.363 29.700 0.039 0.000 0.756 434 E HN 0.674 nan 8.360 nan 0.000 0.459 435 W N 0.685 122.006 121.300 0.034 0.000 2.331 435 W HA -0.150 4.510 4.660 -0.000 0.000 0.291 435 W C 1.421 177.967 176.519 0.045 0.000 1.214 435 W CA 0.557 57.931 57.345 0.048 0.000 1.228 435 W CB -0.804 28.695 29.460 0.066 0.000 1.135 435 W HN -0.030 nan 8.180 nan 0.000 0.537 436 M N 1.664 120.796 119.600 -0.781 0.000 2.700 436 M HA 0.052 4.532 4.480 -0.000 0.000 0.249 436 M C 1.838 177.948 176.300 -0.317 0.000 1.082 436 M CA 1.478 56.298 55.300 -0.800 0.000 1.077 436 M CB -0.985 30.936 32.600 -1.131 0.000 1.477 436 M HN 0.208 nan 8.290 nan 0.000 0.529 437 G N 0.585 109.290 108.800 -0.158 0.000 2.652 437 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.318 437 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.318 437 G C -0.058 174.782 174.900 -0.099 0.000 1.295 437 G CA 0.013 45.069 45.100 -0.074 0.000 0.999 437 G HN 0.255 nan 8.290 nan 0.000 0.548 438 V N 1.992 121.887 119.914 -0.031 0.000 2.267 438 V HA 0.355 4.475 4.120 -0.000 0.000 0.254 438 V C 1.028 177.174 176.094 0.087 0.000 1.144 438 V CA -0.134 62.186 62.300 0.033 0.000 0.992 438 V CB 0.021 31.868 31.823 0.039 0.000 1.199 438 V HN 0.503 nan 8.190 nan 0.000 0.493 439 I N 2.941 123.509 120.570 -0.003 0.000 2.813 439 I HA 0.062 4.232 4.170 -0.000 0.000 0.287 439 I C 0.987 177.314 176.117 0.350 0.000 1.196 439 I CA -0.310 60.996 61.300 0.011 0.000 1.421 439 I CB 0.101 37.819 38.000 -0.470 0.000 1.365 439 I HN 0.562 nan 8.210 nan 0.000 0.591 440 H N 4.710 123.940 119.070 0.267 0.000 3.167 440 H HA 0.118 4.674 4.556 -0.000 0.000 0.306 440 H C 1.048 176.572 175.328 0.328 0.000 0.965 440 H CA 1.050 57.289 56.048 0.319 0.000 1.408 440 H CB 0.142 30.129 29.762 0.375 0.000 1.406 440 H HN 0.769 nan 8.280 nan 0.000 0.576 441 G N 3.714 112.469 108.800 -0.076 0.000 2.199 441 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.254 441 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.254 441 G C 0.527 175.445 174.900 0.030 0.000 0.982 441 G CA 0.426 45.466 45.100 -0.100 0.000 0.632 441 G HN 0.642 nan 8.290 nan 0.000 0.529 442 Y N 1.465 121.898 120.300 0.222 0.000 2.496 442 Y HA 0.265 4.815 4.550 -0.000 0.000 0.313 442 Y C 2.198 178.208 175.900 0.183 0.000 1.184 442 Y CA 0.829 59.095 58.100 0.278 0.000 1.275 442 Y CB 0.379 39.013 38.460 0.291 0.000 1.103 442 Y HN 0.529 nan 8.280 nan 0.000 0.513 443 E N -0.365 119.803 120.200 -0.052 0.000 2.415 443 E HA -0.021 4.328 4.350 -0.000 0.000 0.197 443 E C 1.584 178.083 176.600 -0.168 0.000 1.007 443 E CA 0.503 56.517 56.400 -0.644 0.000 0.890 443 E CB -0.365 28.701 29.700 -1.056 0.000 0.891 443 E HN 0.518 nan 8.360 nan 0.000 0.496 444 I N 2.712 123.306 120.570 0.040 0.000 2.163 444 I HA -0.305 3.865 4.170 -0.000 0.000 0.243 444 I C 2.603 178.788 176.117 0.113 0.000 1.085 444 I CA 2.130 63.520 61.300 0.150 0.000 1.347 444 I CB -0.512 37.628 38.000 0.234 0.000 1.044 444 I HN 0.209 nan 8.210 nan 0.000 0.408 445 E N 0.940 121.153 120.200 0.022 0.000 2.209 445 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 445 E C 1.952 178.404 176.600 -0.247 0.000 0.993 445 E CA 1.515 57.843 56.400 -0.120 0.000 0.819 445 E CB -0.476 29.150 29.700 -0.124 0.000 0.745 445 E HN 0.447 nan 8.360 nan 0.000 0.477 446 F N 0.785 120.648 119.950 -0.144 0.000 2.387 446 F HA 0.018 4.545 4.527 -0.001 0.000 0.294 446 F C 2.324 177.953 175.800 -0.283 0.000 1.093 446 F CA 0.342 58.215 58.000 -0.212 0.000 1.420 446 F CB -0.142 38.772 39.000 -0.143 0.000 1.086 446 F HN -0.131 nan 8.300 nan 0.000 0.531 447 V N -0.677 119.154 119.914 -0.139 0.000 2.343 447 V HA -0.283 3.836 4.120 -0.000 0.000 0.247 447 V C 1.806 177.702 176.094 -0.329 0.000 1.051 447 V CA 1.800 63.866 62.300 -0.389 0.000 1.036 447 V CB -0.566 31.048 31.823 -0.350 0.000 0.654 447 V HN 0.212 nan 8.190 nan 0.000 0.451 448 F N 0.430 120.252 119.950 -0.212 0.000 2.797 448 F HA 0.372 4.898 4.527 -0.000 0.000 0.302 448 F C 1.687 177.372 175.800 -0.192 0.000 1.130 448 F CA 0.645 58.543 58.000 -0.170 0.000 1.387 448 F CB -0.472 38.416 39.000 -0.187 0.000 1.107 448 F HN 0.259 nan 8.300 nan 0.000 0.577 449 G N 1.082 109.787 108.800 -0.159 0.000 2.324 449 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.292 449 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.292 449 G C 0.838 175.414 174.900 -0.541 0.000 1.079 449 G CA 0.237 45.158 45.100 -0.298 0.000 1.026 449 G HN 0.416 nan 8.290 nan 0.000 0.506 450 L N -0.869 120.011 121.223 -0.570 0.000 2.270 450 L HA 0.023 4.363 4.340 -0.000 0.000 0.210 450 L C -0.112 176.400 176.870 -0.596 0.000 1.104 450 L CA 0.948 55.429 54.840 -0.597 0.000 0.804 450 L CB -0.848 40.996 42.059 -0.358 0.000 0.937 450 L HN 0.201 nan 8.230 nan 0.000 0.450 451 P HA -0.129 nan 4.420 nan 0.000 0.231 451 P C 1.439 178.508 177.300 -0.385 0.000 1.158 451 P CA 0.885 63.410 63.100 -0.958 0.000 0.763 451 P CB 0.095 31.151 31.700 -1.073 0.000 0.805 452 L N -1.909 119.097 121.223 -0.362 0.000 2.341 452 L HA -0.001 4.339 4.340 -0.000 0.000 0.214 452 L C 0.821 177.597 176.870 -0.157 0.000 1.115 452 L CA 0.795 55.504 54.840 -0.218 0.000 0.820 452 L CB -0.529 41.410 42.059 -0.200 0.000 0.944 452 L HN -0.251 nan 8.230 nan 0.000 0.452 453 V N 1.454 121.242 119.914 -0.210 0.000 2.387 453 V HA 0.027 4.147 4.120 -0.000 0.000 0.260 453 V C 1.439 177.515 176.094 -0.030 0.000 1.054 453 V CA -0.339 61.900 62.300 -0.101 0.000 0.967 453 V CB 0.522 32.271 31.823 -0.123 0.000 1.036 453 V HN 0.279 nan 8.190 nan 0.000 0.481 454 K N 3.563 123.954 120.400 -0.015 0.000 2.152 454 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 454 K C 1.592 178.188 176.600 -0.006 0.000 1.048 454 K CA 1.269 57.555 56.287 -0.002 0.000 0.933 454 K CB 0.144 32.642 32.500 -0.004 0.000 0.721 454 K HN 0.673 nan 8.250 nan 0.000 0.447 455 E N 0.607 120.797 120.200 -0.016 0.000 2.418 455 E HA -0.020 4.329 4.350 -0.000 0.000 0.197 455 E C 1.313 177.882 176.600 -0.052 0.000 1.026 455 E CA 0.318 56.699 56.400 -0.031 0.000 0.862 455 E CB -0.113 29.569 29.700 -0.030 0.000 0.799 455 E HN 0.199 nan 8.360 nan 0.000 0.518 456 L N 0.941 122.140 121.223 -0.041 0.000 2.645 456 L HA 0.096 4.436 4.340 -0.000 0.000 0.234 456 L C -0.194 176.559 176.870 -0.195 0.000 1.165 456 L CA -0.320 54.463 54.840 -0.096 0.000 0.944 456 L CB -0.399 41.658 42.059 -0.002 0.000 1.149 456 L HN 0.097 nan 8.230 nan 0.000 0.446 457 N N 0.290 118.925 118.700 -0.108 0.000 2.700 457 N HA -0.256 4.483 4.740 -0.000 0.000 0.265 457 N C -0.457 174.964 175.510 -0.148 0.000 0.975 457 N CA 1.082 54.068 53.050 -0.108 0.000 0.800 457 N CB -1.058 37.353 38.487 -0.126 0.000 0.908 457 N HN 0.322 nan 8.380 nan 0.000 0.551 458 Y N -0.303 119.965 120.300 -0.053 0.000 2.518 458 Y HA 0.362 4.912 4.550 -0.000 0.000 0.332 458 Y C 1.736 177.635 175.900 -0.001 0.000 1.276 458 Y CA -0.317 57.767 58.100 -0.028 0.000 1.418 458 Y CB 0.536 38.956 38.460 -0.067 0.000 1.527 458 Y HN 0.132 nan 8.280 nan 0.000 0.549 459 T N -2.128 112.574 114.554 0.247 0.000 2.912 459 T HA 0.546 4.895 4.350 -0.000 0.000 0.280 459 T C 0.963 175.722 174.700 0.098 0.000 0.989 459 T CA -0.246 61.936 62.100 0.137 0.000 0.995 459 T CB 1.359 70.306 68.868 0.133 0.000 1.077 459 T HN 0.715 nan 8.240 nan 0.000 0.531 460 A N 0.703 123.557 122.820 0.058 0.000 1.902 460 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 460 A C 2.088 179.684 177.584 0.020 0.000 1.181 460 A CA 1.641 53.696 52.037 0.030 0.000 0.623 460 A CB -1.129 17.883 19.000 0.020 0.000 0.818 460 A HN 0.921 nan 8.150 nan 0.000 0.443 461 E N 0.469 120.685 120.200 0.026 0.000 2.160 461 E HA -0.167 4.182 4.350 -0.000 0.000 0.195 461 E C 1.739 178.334 176.600 -0.009 0.000 0.991 461 E CA 1.498 57.900 56.400 0.003 0.000 0.810 461 E CB -0.261 29.441 29.700 0.004 0.000 0.742 461 E HN 0.784 nan 8.360 nan 0.000 0.466 462 E N 0.233 120.460 120.200 0.045 0.000 2.285 462 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 462 E C 1.847 178.458 176.600 0.019 0.000 0.997 462 E CA 0.646 57.108 56.400 0.104 0.000 0.845 462 E CB 0.072 29.933 29.700 0.270 0.000 0.782 462 E HN 0.360 nan 8.360 nan 0.000 0.491 463 E N 0.998 121.177 120.200 -0.035 0.000 2.158 463 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 463 E C 1.962 178.525 176.600 -0.061 0.000 0.982 463 E CA 0.801 57.148 56.400 -0.088 0.000 0.823 463 E CB 0.040 29.701 29.700 -0.066 0.000 0.766 463 E HN 0.192 nan 8.360 nan 0.000 0.468 464 A N 1.210 124.007 122.820 -0.039 0.000 1.855 464 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 464 A C 2.147 179.704 177.584 -0.045 0.000 1.191 464 A CA 1.276 53.286 52.037 -0.045 0.000 0.613 464 A CB -0.797 18.180 19.000 -0.038 0.000 0.829 464 A HN 0.388 nan 8.150 nan 0.000 0.442 465 L N -0.085 121.122 121.223 -0.027 0.000 2.013 465 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 465 L C 2.644 179.537 176.870 0.038 0.000 1.073 465 L CA 2.646 57.476 54.840 -0.017 0.000 0.753 465 L CB -0.795 41.220 42.059 -0.074 0.000 0.890 465 L HN 0.353 nan 8.230 nan 0.000 0.432 466 S N -1.071 114.694 115.700 0.108 0.000 2.383 466 S HA -0.194 4.276 4.470 -0.000 0.000 0.229 466 S C 2.162 176.722 174.600 -0.067 0.000 1.030 466 S CA 1.313 59.537 58.200 0.040 0.000 1.002 466 S CB -0.216 62.906 63.200 -0.132 0.000 0.829 466 S HN 0.493 nan 8.310 nan 0.000 0.467 467 R N 0.110 120.565 120.500 -0.075 0.000 2.090 467 R HA 0.057 4.397 4.340 -0.000 0.000 0.228 467 R C 2.698 178.941 176.300 -0.096 0.000 1.110 467 R CA 1.115 57.163 56.100 -0.087 0.000 0.973 467 R CB -0.237 30.006 30.300 -0.094 0.000 0.869 467 R HN 0.353 nan 8.270 nan 0.000 0.440 468 R N 1.007 121.438 120.500 -0.116 0.000 2.061 468 R HA -0.072 4.267 4.340 -0.000 0.000 0.230 468 R C 2.241 178.415 176.300 -0.211 0.000 1.140 468 R CA 1.383 57.354 56.100 -0.215 0.000 0.940 468 R CB -0.245 29.934 30.300 -0.200 0.000 0.839 468 R HN 0.116 nan 8.270 nan 0.000 0.429 469 I N 0.691 121.211 120.570 -0.083 0.000 2.151 469 I HA -0.381 3.789 4.170 -0.000 0.000 0.243 469 I C 2.494 178.553 176.117 -0.097 0.000 1.080 469 I CA 1.666 62.920 61.300 -0.078 0.000 1.339 469 I CB -0.239 37.577 38.000 -0.307 0.000 1.039 469 I HN 0.345 nan 8.210 nan 0.000 0.409 470 M N -0.831 118.697 119.600 -0.121 0.000 2.159 470 M HA -0.247 4.232 4.480 -0.000 0.000 0.263 470 M C 2.435 178.823 176.300 0.147 0.000 1.063 470 M CA 1.686 56.956 55.300 -0.050 0.000 1.110 470 M CB -0.770 31.790 32.600 -0.067 0.000 1.374 470 M HN 0.261 nan 8.290 nan 0.000 0.411 471 H N -0.111 118.955 119.070 -0.006 0.000 2.321 471 H HA -0.164 4.392 4.556 -0.000 0.000 0.300 471 H C 1.635 177.066 175.328 0.170 0.000 1.087 471 H CA 2.009 58.063 56.048 0.011 0.000 1.319 471 H CB -0.194 29.504 29.762 -0.106 0.000 1.379 471 H HN 0.278 nan 8.280 nan 0.000 0.501 472 Y N -0.706 119.768 120.300 0.290 0.000 2.097 472 Y HA -0.276 4.274 4.550 -0.001 0.000 0.282 472 Y C 2.692 178.782 175.900 0.318 0.000 1.152 472 Y CA 1.208 59.495 58.100 0.312 0.000 1.136 472 Y CB -1.107 37.750 38.460 0.661 0.000 0.975 472 Y HN 0.366 nan 8.280 nan 0.000 0.498 473 W N -0.562 120.846 121.300 0.180 0.000 2.338 473 W HA -0.237 4.423 4.660 -0.000 0.000 0.304 473 W C 2.562 179.091 176.519 0.017 0.000 1.212 473 W CA 1.068 58.455 57.345 0.068 0.000 1.264 473 W CB -0.497 28.954 29.460 -0.016 0.000 1.142 473 W HN 0.083 nan 8.180 nan 0.000 0.512 474 A N 0.260 123.206 122.820 0.211 0.000 1.855 474 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 474 A C 1.835 179.413 177.584 -0.010 0.000 1.191 474 A CA 2.284 54.357 52.037 0.059 0.000 0.613 474 A CB -1.322 17.711 19.000 0.055 0.000 0.829 474 A HN 0.174 nan 8.150 nan 0.000 0.442 475 T N -0.453 114.050 114.554 -0.086 0.000 2.720 475 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 475 T C 1.605 176.248 174.700 -0.095 0.000 1.037 475 T CA 1.715 63.721 62.100 -0.157 0.000 1.144 475 T CB -0.441 68.258 68.868 -0.282 0.000 0.864 475 T HN 0.470 nan 8.240 nan 0.000 0.444 476 F N 2.322 122.170 119.950 -0.169 0.000 2.075 476 F HA -0.016 4.511 4.527 -0.000 0.000 0.297 476 F C 2.482 178.203 175.800 -0.132 0.000 1.113 476 F CA 1.140 59.015 58.000 -0.209 0.000 1.218 476 F CB -0.788 38.027 39.000 -0.308 0.000 0.984 476 F HN 0.141 nan 8.300 nan 0.000 0.472 477 A N -0.125 122.612 122.820 -0.139 0.000 2.024 477 A HA -0.236 4.083 4.320 -0.000 0.000 0.220 477 A C 2.269 179.730 177.584 -0.205 0.000 1.164 477 A CA 1.931 53.855 52.037 -0.188 0.000 0.643 477 A CB -0.834 18.138 19.000 -0.048 0.000 0.806 477 A HN 0.550 nan 8.150 nan 0.000 0.451 478 K N -0.929 119.370 120.400 -0.168 0.000 2.137 478 K HA -0.077 4.243 4.320 -0.000 0.000 0.202 478 K C 1.942 178.447 176.600 -0.157 0.000 1.052 478 K CA 1.725 57.934 56.287 -0.129 0.000 0.961 478 K CB -0.030 32.417 32.500 -0.089 0.000 0.741 478 K HN 0.581 nan 8.250 nan 0.000 0.452 479 T N -4.902 109.526 114.554 -0.209 0.000 2.999 479 T HA 0.267 4.617 4.350 -0.000 0.000 0.247 479 T C 1.255 175.806 174.700 -0.248 0.000 1.012 479 T CA 0.544 62.533 62.100 -0.184 0.000 1.048 479 T CB 0.855 69.641 68.868 -0.137 0.000 1.020 479 T HN 0.293 nan 8.240 nan 0.000 0.478 480 G N 1.404 109.927 108.800 -0.462 0.000 2.168 480 G HA2 -0.126 3.833 3.960 -0.000 0.000 0.197 480 G HA3 -0.126 3.833 3.960 -0.000 0.000 0.197 480 G C -0.243 174.543 174.900 -0.189 0.000 0.997 480 G CA -0.025 44.734 45.100 -0.568 0.000 0.658 480 G HN 0.832 nan 8.290 nan 0.000 0.513 481 N N -0.057 118.551 118.700 -0.154 0.000 2.336 481 N HA 0.461 5.201 4.740 -0.000 0.000 0.290 481 N C -2.122 173.259 175.510 -0.216 0.000 1.058 481 N CA -1.372 51.609 53.050 -0.114 0.000 0.865 481 N CB 2.794 41.259 38.487 -0.036 0.000 1.581 481 N HN -0.053 nan 8.380 nan 0.000 0.480 482 P HA 0.031 nan 4.420 nan 0.000 0.235 482 P C -0.279 177.003 177.300 -0.031 0.000 1.177 482 P CA 0.282 63.228 63.100 -0.256 0.000 0.785 482 P CB 0.510 31.820 31.700 -0.650 0.000 0.885 483 N N 1.571 120.201 118.700 -0.116 0.000 2.482 483 N HA 0.049 4.789 4.740 -0.000 0.000 0.260 483 N C 0.435 175.960 175.510 0.025 0.000 1.236 483 N CA 0.126 53.213 53.050 0.061 0.000 0.938 483 N CB 0.623 39.143 38.487 0.055 0.000 1.128 483 N HN 0.063 nan 8.380 nan 0.000 0.448 484 E N 2.150 122.391 120.200 0.068 0.000 2.376 484 E HA 0.032 4.382 4.350 -0.000 0.000 0.266 484 E C -1.117 175.428 176.600 -0.092 0.000 1.009 484 E CA -1.328 55.072 56.400 0.001 0.000 0.902 484 E CB 0.575 30.315 29.700 0.066 0.000 0.972 484 E HN 0.394 nan 8.360 nan 0.000 0.439 485 P HA -0.199 nan 4.420 nan 0.000 0.219 485 P C 0.026 177.117 177.300 -0.349 0.000 1.151 485 P CA 1.938 64.807 63.100 -0.385 0.000 0.850 485 P CB 0.048 31.366 31.700 -0.637 0.000 0.784 486 H N -5.051 114.054 119.070 0.057 0.000 3.770 486 H HA 0.428 4.983 4.556 -0.001 0.000 0.231 486 H C 0.155 175.519 175.328 0.060 0.000 1.268 486 H CA -0.842 55.239 56.048 0.056 0.000 1.147 486 H CB -1.111 28.677 29.762 0.044 0.000 3.069 486 H HN -0.079 nan 8.280 nan 0.000 0.595 487 S N 0.015 115.819 115.700 0.173 0.000 2.633 487 S HA 0.108 4.578 4.470 -0.000 0.000 0.257 487 S C 1.029 175.708 174.600 0.132 0.000 1.265 487 S CA -0.004 58.291 58.200 0.157 0.000 0.980 487 S CB 0.840 64.115 63.200 0.125 0.000 1.017 487 S HN 0.669 nan 8.310 nan 0.000 0.577 488 Q N -0.446 119.417 119.800 0.106 0.000 2.217 488 Q HA 0.221 4.561 4.340 -0.000 0.000 0.217 488 Q C -0.396 175.656 176.000 0.088 0.000 0.844 488 Q CA -0.066 55.790 55.803 0.088 0.000 0.957 488 Q CB 0.523 29.303 28.738 0.069 0.000 1.127 488 Q HN 0.641 nan 8.270 nan 0.000 0.503 489 E N 1.165 121.425 120.200 0.101 0.000 2.404 489 E HA 0.137 4.487 4.350 -0.000 0.000 0.261 489 E C -0.428 176.249 176.600 0.128 0.000 1.074 489 E CA -0.183 56.282 56.400 0.108 0.000 0.917 489 E CB 0.679 30.452 29.700 0.123 0.000 0.965 489 E HN -0.049 nan 8.360 nan 0.000 0.433 490 S N 1.843 117.617 115.700 0.124 0.000 2.563 490 S HA -0.033 4.436 4.470 -0.000 0.000 0.294 490 S C 0.108 174.817 174.600 0.182 0.000 1.279 490 S CA 0.192 58.468 58.200 0.127 0.000 1.069 490 S CB 0.203 63.464 63.200 0.101 0.000 0.828 490 S HN 0.268 nan 8.310 nan 0.000 0.497 491 K N 1.877 122.381 120.400 0.174 0.000 2.270 491 K HA 0.096 4.416 4.320 -0.000 0.000 0.276 491 K C -0.299 176.471 176.600 0.283 0.000 1.023 491 K CA -0.393 56.027 56.287 0.222 0.000 0.955 491 K CB 0.525 33.136 32.500 0.185 0.000 0.975 491 K HN 0.620 nan 8.250 nan 0.000 0.471 492 W N 6.489 127.837 121.300 0.080 0.000 2.433 492 W HA 0.222 4.882 4.660 -0.000 0.000 0.331 492 W C -2.509 174.128 176.519 0.196 0.000 1.110 492 W CA -2.968 54.414 57.345 0.062 0.000 1.450 492 W CB -0.519 28.855 29.460 -0.144 0.000 1.348 492 W HN 0.428 nan 8.180 nan 0.000 0.415 493 P HA -0.071 nan 4.420 nan 0.000 0.271 493 P C -0.625 176.974 177.300 0.499 0.000 1.238 493 P CA -0.246 63.102 63.100 0.413 0.000 0.794 493 P CB 0.625 32.480 31.700 0.258 0.000 0.959 494 L N 2.076 123.444 121.223 0.243 0.000 2.292 494 L HA 0.399 4.739 4.340 -0.000 0.000 0.284 494 L C -0.684 176.235 176.870 0.082 0.000 1.065 494 L CA -0.653 54.178 54.840 -0.014 0.000 0.806 494 L CB -0.418 41.591 42.059 -0.084 0.000 1.175 494 L HN 0.163 nan 8.230 nan 0.000 0.431 495 F N 4.728 124.649 119.950 -0.047 0.000 2.506 495 F HA 0.412 4.939 4.527 -0.001 0.000 0.371 495 F C 0.415 176.213 175.800 -0.002 0.000 1.078 495 F CA -0.005 58.022 58.000 0.045 0.000 1.195 495 F CB 0.355 39.403 39.000 0.080 0.000 1.099 495 F HN 0.672 nan 8.300 nan 0.000 0.548 496 T N 1.356 115.616 114.554 -0.491 0.000 2.932 496 T HA 0.266 4.615 4.350 -0.000 0.000 0.289 496 T C 0.951 175.315 174.700 -0.561 0.000 1.039 496 T CA -0.447 61.443 62.100 -0.350 0.000 1.024 496 T CB 1.563 70.318 68.868 -0.187 0.000 1.090 496 T HN 0.529 nan 8.240 nan 0.000 0.496 497 T N 0.866 115.260 114.554 -0.266 0.000 2.759 497 T HA -0.077 4.272 4.350 -0.000 0.000 0.269 497 T C 1.733 176.322 174.700 -0.186 0.000 1.042 497 T CA 1.366 63.354 62.100 -0.186 0.000 1.140 497 T CB -0.198 68.614 68.868 -0.093 0.000 0.864 497 T HN 0.585 nan 8.240 nan 0.000 0.455 498 K N 0.467 120.767 120.400 -0.166 0.000 1.995 498 K HA -0.028 4.292 4.320 -0.000 0.000 0.207 498 K C 2.407 178.929 176.600 -0.130 0.000 1.041 498 K CA 1.158 57.375 56.287 -0.117 0.000 0.942 498 K CB -0.020 32.430 32.500 -0.083 0.000 0.731 498 K HN 0.181 nan 8.250 nan 0.000 0.439 499 E N 0.934 121.042 120.200 -0.153 0.000 2.216 499 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 499 E C -0.260 176.238 176.600 -0.171 0.000 0.988 499 E CA 0.269 56.595 56.400 -0.123 0.000 0.834 499 E CB -0.022 29.624 29.700 -0.089 0.000 0.772 499 E HN 0.193 nan 8.360 nan 0.000 0.479 500 Q N 0.556 120.107 119.800 -0.416 0.000 2.416 500 Q HA -0.254 4.086 4.340 -0.000 0.000 0.319 500 Q C -0.786 175.160 176.000 -0.089 0.000 1.318 500 Q CA 0.575 55.975 55.803 -0.671 0.000 0.915 500 Q CB -1.614 26.969 28.738 -0.258 0.000 1.184 500 Q HN 0.293 nan 8.270 nan 0.000 0.444 501 K N 0.592 120.980 120.400 -0.020 0.000 2.202 501 K HA 0.590 4.910 4.320 -0.000 0.000 0.264 501 K C 0.039 176.947 176.600 0.514 0.000 1.010 501 K CA 0.026 56.438 56.287 0.209 0.000 0.940 501 K CB 0.514 33.074 32.500 0.099 0.000 0.983 501 K HN 0.223 nan 8.250 nan 0.000 0.475 502 F N -0.613 119.486 119.950 0.249 0.000 2.741 502 F HA 0.601 5.128 4.527 -0.001 0.000 0.313 502 F C -1.281 174.597 175.800 0.129 0.000 1.153 502 F CA -1.495 56.661 58.000 0.260 0.000 0.931 502 F CB 0.780 39.948 39.000 0.280 0.000 1.335 502 F HN 0.441 nan 8.300 nan 0.000 0.460 503 I N -0.294 120.318 120.570 0.069 0.000 2.892 503 I HA 0.740 4.909 4.170 -0.000 0.000 0.306 503 I C -1.479 174.743 176.117 0.175 0.000 1.078 503 I CA -1.023 60.205 61.300 -0.121 0.000 1.032 503 I CB 2.230 40.025 38.000 -0.341 0.000 1.229 503 I HN 0.699 nan 8.210 nan 0.000 0.435 504 D N 3.698 124.218 120.400 0.200 0.000 2.277 504 D HA 0.533 5.173 4.640 -0.000 0.000 0.250 504 D C -0.799 175.588 176.300 0.144 0.000 1.032 504 D CA -0.484 53.725 54.000 0.349 0.000 0.947 504 D CB 1.934 42.993 40.800 0.432 0.000 1.159 504 D HN 0.626 nan 8.370 nan 0.000 0.460 505 L N 1.598 122.898 121.223 0.129 0.000 2.345 505 L HA 0.426 4.765 4.340 -0.000 0.000 0.274 505 L C -0.733 176.036 176.870 -0.169 0.000 0.999 505 L CA -0.510 54.349 54.840 0.031 0.000 0.849 505 L CB 0.343 42.498 42.059 0.160 0.000 1.220 505 L HN 0.606 nan 8.230 nan 0.000 0.422 506 N N -0.971 117.649 118.700 -0.133 0.000 3.364 506 N HA 0.204 4.944 4.740 -0.000 0.000 0.294 506 N C 0.484 175.881 175.510 -0.189 0.000 1.562 506 N CA -0.222 52.692 53.050 -0.225 0.000 0.862 506 N CB 0.483 38.898 38.487 -0.120 0.000 1.691 506 N HN 0.162 nan 8.380 nan 0.000 0.572 507 T N -3.210 111.203 114.554 -0.234 0.000 2.951 507 T HA 0.024 4.374 4.350 -0.000 0.000 0.268 507 T C 0.366 175.031 174.700 -0.058 0.000 1.073 507 T CA 0.828 62.831 62.100 -0.161 0.000 1.134 507 T CB -0.477 68.293 68.868 -0.162 0.000 0.884 507 T HN 0.514 nan 8.240 nan 0.000 0.479 508 E N 2.197 122.382 120.200 -0.026 0.000 2.435 508 E HA 0.224 4.574 4.350 -0.000 0.000 0.254 508 E C -2.399 174.205 176.600 0.007 0.000 1.289 508 E CA -1.748 54.654 56.400 0.003 0.000 0.983 508 E CB -0.083 29.630 29.700 0.022 0.000 1.010 508 E HN 0.268 nan 8.360 nan 0.000 0.509 509 P HA -0.018 nan 4.420 nan 0.000 0.271 509 P C -0.344 176.968 177.300 0.021 0.000 1.216 509 P CA 0.132 63.244 63.100 0.021 0.000 0.776 509 P CB 0.441 32.152 31.700 0.019 0.000 0.881 510 M N 2.958 122.577 119.600 0.031 0.000 2.246 510 M HA 0.002 4.482 4.480 -0.000 0.000 0.327 510 M C -0.420 175.859 176.300 -0.034 0.000 1.090 510 M CA 1.193 56.503 55.300 0.016 0.000 1.087 510 M CB 0.074 32.703 32.600 0.049 0.000 1.587 510 M HN 0.248 nan 8.290 nan 0.000 0.444 511 K N 3.078 123.419 120.400 -0.098 0.000 2.498 511 K HA 0.570 4.889 4.320 -0.000 0.000 0.254 511 K C -1.761 174.569 176.600 -0.449 0.000 0.933 511 K CA -0.889 55.254 56.287 -0.239 0.000 0.806 511 K CB 2.658 35.018 32.500 -0.234 0.000 1.301 511 K HN 0.517 nan 8.250 nan 0.000 0.432 512 V N 3.574 123.183 119.914 -0.508 0.000 2.483 512 V HA 0.394 4.513 4.120 -0.000 0.000 0.295 512 V C -0.230 175.394 176.094 -0.784 0.000 1.035 512 V CA -0.610 61.376 62.300 -0.524 0.000 0.896 512 V CB 1.307 32.990 31.823 -0.233 0.000 0.986 512 V HN 0.709 nan 8.190 nan 0.000 0.447 513 H N 2.980 121.689 119.070 -0.601 0.000 2.927 513 H HA 0.695 5.251 4.556 -0.000 0.000 0.316 513 H C -1.077 173.971 175.328 -0.467 0.000 1.403 513 H CA -0.846 54.816 56.048 -0.644 0.000 1.288 513 H CB 2.194 31.339 29.762 -1.029 0.000 1.944 513 H HN 0.568 nan 8.280 nan 0.000 0.629 514 Q N 0.118 119.965 119.800 0.078 0.000 2.418 514 Q HA 0.358 4.698 4.340 -0.000 0.000 0.282 514 Q C -0.807 175.441 176.000 0.415 0.000 1.044 514 Q CA -0.920 55.053 55.803 0.284 0.000 0.813 514 Q CB 2.979 31.788 28.738 0.118 0.000 1.428 514 Q HN 0.473 nan 8.270 nan 0.000 0.402 515 R N 0.901 121.625 120.500 0.372 0.000 3.079 515 R HA -0.203 4.136 4.340 -0.000 0.000 0.254 515 R C -0.616 175.802 176.300 0.197 0.000 0.900 515 R CA -0.144 56.105 56.100 0.248 0.000 0.641 515 R CB -1.425 28.969 30.300 0.157 0.000 1.307 515 R HN 0.455 nan 8.270 nan 0.000 0.477 516 L N 2.413 123.667 121.223 0.052 0.000 2.660 516 L HA -0.020 4.320 4.340 -0.000 0.000 0.272 516 L C 0.939 177.768 176.870 -0.069 0.000 1.194 516 L CA 0.667 55.356 54.840 -0.251 0.000 0.945 516 L CB -0.139 41.486 42.059 -0.723 0.000 1.212 516 L HN 0.483 nan 8.230 nan 0.000 0.490 517 R N 2.344 122.824 120.500 -0.034 0.000 3.460 517 R HA -0.233 4.107 4.340 -0.000 0.000 0.254 517 R C 1.360 177.718 176.300 0.096 0.000 1.028 517 R CA 0.698 56.826 56.100 0.048 0.000 0.688 517 R CB -2.048 28.304 30.300 0.087 0.000 1.062 517 R HN 0.712 nan 8.270 nan 0.000 0.463 518 V N 0.503 120.469 119.914 0.086 0.000 2.317 518 V HA -0.389 3.731 4.120 -0.000 0.000 0.251 518 V C 2.335 178.492 176.094 0.105 0.000 1.065 518 V CA 2.711 65.073 62.300 0.104 0.000 1.049 518 V CB -0.127 31.753 31.823 0.096 0.000 0.651 518 V HN 0.511 nan 8.190 nan 0.000 0.450 519 Q N -0.811 119.036 119.800 0.078 0.000 1.993 519 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 519 Q C 2.145 178.195 176.000 0.084 0.000 0.984 519 Q CA 2.541 58.376 55.803 0.053 0.000 0.837 519 Q CB -0.398 28.344 28.738 0.006 0.000 0.902 519 Q HN 0.565 nan 8.270 nan 0.000 0.423 520 M N -0.797 118.872 119.600 0.115 0.000 2.213 520 M HA -0.144 4.335 4.480 -0.000 0.000 0.263 520 M C 2.293 178.839 176.300 0.410 0.000 1.062 520 M CA 0.886 56.315 55.300 0.213 0.000 1.105 520 M CB -1.194 31.601 32.600 0.324 0.000 1.385 520 M HN 0.356 nan 8.290 nan 0.000 0.417 521 c N -0.506 118.297 118.600 0.337 0.000 2.446 521 c HA -0.033 4.536 4.570 -0.000 0.000 0.279 521 c C 2.896 177.147 174.090 0.267 0.000 1.366 521 c CA 0.257 56.795 56.329 0.349 0.000 1.763 521 c CB -0.860 41.795 42.510 0.241 0.000 1.929 521 c HN 0.326 nan 8.230 nan 0.000 0.509 522 V N 0.455 120.489 119.914 0.200 0.000 2.427 522 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 522 V C 2.029 178.214 176.094 0.152 0.000 1.051 522 V CA 2.054 64.442 62.300 0.148 0.000 1.048 522 V CB -0.801 31.085 31.823 0.105 0.000 0.666 522 V HN 0.554 nan 8.190 nan 0.000 0.456 523 F N 0.041 120.006 119.950 0.024 0.000 2.075 523 F HA -0.169 4.358 4.527 -0.000 0.000 0.297 523 F C 2.000 177.787 175.800 -0.020 0.000 1.113 523 F CA 1.646 59.610 58.000 -0.060 0.000 1.218 523 F CB -0.389 38.437 39.000 -0.290 0.000 0.984 523 F HN 0.155 nan 8.300 nan 0.000 0.472 524 W N 0.558 121.930 121.300 0.119 0.000 2.418 524 W HA -0.101 4.559 4.660 -0.000 0.000 0.292 524 W C 2.155 178.638 176.519 -0.061 0.000 1.213 524 W CA 0.797 58.153 57.345 0.018 0.000 1.283 524 W CB -0.493 29.105 29.460 0.230 0.000 1.119 524 W HN -0.031 nan 8.180 nan 0.000 0.542 525 N N -0.486 118.318 118.700 0.173 0.000 2.368 525 N HA -0.044 4.696 4.740 -0.000 0.000 0.176 525 N C 1.461 176.945 175.510 -0.043 0.000 1.021 525 N CA 1.071 54.125 53.050 0.007 0.000 0.888 525 N CB -0.309 38.176 38.487 -0.004 0.000 0.995 525 N HN 0.357 nan 8.380 nan 0.000 0.437 526 Q N -0.910 118.893 119.800 0.005 0.000 2.525 526 Q HA 0.186 4.526 4.340 -0.000 0.000 0.203 526 Q C 1.416 177.408 176.000 -0.014 0.000 0.947 526 Q CA -0.067 55.742 55.803 0.010 0.000 0.881 526 Q CB -0.051 28.726 28.738 0.066 0.000 1.049 526 Q HN 0.108 nan 8.270 nan 0.000 0.600 527 F N 1.890 121.742 119.950 -0.163 0.000 2.010 527 F HA -0.253 4.274 4.527 -0.000 0.000 0.296 527 F C 2.051 177.675 175.800 -0.293 0.000 1.146 527 F CA 1.349 59.224 58.000 -0.208 0.000 1.181 527 F CB -0.496 38.380 39.000 -0.205 0.000 0.965 527 F HN 0.068 nan 8.300 nan 0.000 0.480 528 L N 1.051 121.926 121.223 -0.580 0.000 2.043 528 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 528 L C -0.887 175.763 176.870 -0.368 0.000 1.075 528 L CA 2.196 56.661 54.840 -0.625 0.000 0.752 528 L CB -1.936 39.675 42.059 -0.746 0.000 0.891 528 L HN 0.032 nan 8.230 nan 0.000 0.432 529 P HA -0.210 nan 4.420 nan 0.000 0.216 529 P C 1.465 178.661 177.300 -0.173 0.000 1.150 529 P CA 1.640 64.659 63.100 -0.136 0.000 0.837 529 P CB -0.045 31.596 31.700 -0.097 0.000 0.786 530 K N -0.144 120.113 120.400 -0.239 0.000 2.025 530 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 530 K C 2.051 178.477 176.600 -0.290 0.000 1.049 530 K CA 0.965 57.114 56.287 -0.230 0.000 0.933 530 K CB -0.805 31.563 32.500 -0.221 0.000 0.714 530 K HN 0.029 nan 8.250 nan 0.000 0.438 531 L N 1.143 122.076 121.223 -0.482 0.000 2.012 531 L HA -0.185 4.154 4.340 -0.000 0.000 0.210 531 L C 2.092 178.817 176.870 -0.242 0.000 1.073 531 L CA 1.339 55.914 54.840 -0.442 0.000 0.748 531 L CB -0.173 41.499 42.059 -0.646 0.000 0.891 531 L HN 0.267 nan 8.230 nan 0.000 0.431 532 L N -0.047 121.053 121.223 -0.205 0.000 2.141 532 L HA -0.208 4.131 4.340 -0.000 0.000 0.209 532 L C 2.484 179.305 176.870 -0.081 0.000 1.094 532 L CA 1.184 55.955 54.840 -0.115 0.000 0.763 532 L CB -0.858 41.160 42.059 -0.070 0.000 0.908 532 L HN 0.498 nan 8.230 nan 0.000 0.437 533 N N 0.822 119.467 118.700 -0.092 0.000 2.080 533 N HA -0.167 4.573 4.740 -0.000 0.000 0.189 533 N C 1.888 177.362 175.510 -0.061 0.000 1.036 533 N CA 1.643 54.654 53.050 -0.065 0.000 0.846 533 N CB 0.113 38.559 38.487 -0.067 0.000 1.015 533 N HN 0.260 nan 8.380 nan 0.000 0.423 534 A N 0.139 122.910 122.820 -0.081 0.000 1.865 534 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 534 A C 1.480 179.032 177.584 -0.054 0.000 1.191 534 A CA 2.008 54.006 52.037 -0.065 0.000 0.623 534 A CB -1.276 17.677 19.000 -0.079 0.000 0.826 534 A HN 0.590 nan 8.150 nan 0.000 0.444 535 T N -2.053 112.462 114.554 -0.065 0.000 3.766 535 T HA 0.679 5.029 4.350 -0.000 0.000 0.327 535 T C -0.252 174.425 174.700 -0.038 0.000 1.595 535 T CA 0.223 62.294 62.100 -0.048 0.000 1.204 535 T CB -0.295 68.541 68.868 -0.053 0.000 1.245 535 T HN 1.250 nan 8.240 nan 0.000 0.875 536 A N 0.000 122.804 122.820 -0.027 0.000 2.254 536 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 536 A CA 0.000 52.028 52.037 -0.015 0.000 0.836 536 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 536 A HN 0.000 nan 8.150 nan 0.000 0.486