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 2vr5_1_B DATA FIRST_RESID 5 DATA SEQUENCE FRTRDRPLRP GDPYPLGSNW IEDDDGVNFS LFSENAEKVE LLLYSLTNQK DATA SEQUENCE YPKEIIEVKN KTGDIWHVFV PGLRPGQLYA YRVYGPYKPE LGLRFNPNKV DATA SEQUENCE LIDPYAKAIN GSVIWNDAVF GYKIGDQNQD LTYDERDSGE YVPKSVVINP DATA SEQUENCE YFEWDDEDFI KGKKVPLKDT VIYEVHVKGF TKLRLDLPEN IRGTYEGLAS DATA SEQUENCE EQMISYLKDL GITTVELMPV FHFIDQRFLT DKGLTNYWGY DPINFFSPEc DATA SEQUENCE RYSSTGcLGG QVLSFKKMVN ELHNAGIEVI IDVVYNHTAE GNHLGPTLSF DATA SEQUENCE RGIDNTAYYM LQPDNKRYYL DFTGTGNTLN LSHPRVIQMV LDSLRYWVTE DATA SEQUENCE MHVDGFRFDL AAALARELYS VNMLNTFFIA LQQDPILSQV KLIAEPWDVG DATA SEQUENCE QGGYQVGNFP YQWAEWNGKY RDSIRRFWRG EALPYSEIAN RLLGSPDIYL DATA SEQUENCE GNNKTPFASI NYVTSHDGFT LEDLVSYNQK HNEANGFNNQ DGMNENYSWN DATA SEQUENCE cGAEGPTNDQ NVVIcREKQK RNFMITLLVS QGTPMILGGD ELSRTQRGNN DATA SEQUENCE NAFCQDNEIT WFDWNLDERK SKFLEFVKKM IQFYRAHPAF RRERYFQGKK DATA SEQUENCE LFGMPLKDVT FYTLEGREVD EKTWSSPTQL VIFVLEGSVM DEINMYGERI DATA SEQUENCE ADDSFLIILN ANPNNVKVKF PKGKWELVIS SYLREIKPEE RIIEGEKELE DATA SEQUENCE IEGRTALVYR RIEL 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 5 F HA 0.000 nan 4.527 nan 0.000 0.279 5 F C 0.000 175.792 175.800 -0.013 0.000 0.967 5 F CA 0.000 57.994 58.000 -0.010 0.000 1.383 5 F CB 0.000 38.993 39.000 -0.011 0.000 1.145 6 R N -0.102 120.493 120.500 0.157 0.000 2.549 6 R HA 0.431 4.771 4.340 -0.000 0.000 0.259 6 R C 1.018 177.360 176.300 0.070 0.000 1.095 6 R CA -0.561 55.587 56.100 0.080 0.000 1.148 6 R CB 1.014 31.343 30.300 0.048 0.000 1.181 6 R HN 0.738 nan 8.270 nan 0.000 0.571 7 T N 0.999 115.574 114.554 0.034 0.000 3.118 7 T HA -0.102 4.247 4.350 -0.000 0.000 0.269 7 T C 1.251 175.966 174.700 0.025 0.000 1.166 7 T CA 1.314 63.425 62.100 0.019 0.000 1.073 7 T CB -0.126 68.743 68.868 0.002 0.000 0.884 7 T HN 0.448 nan 8.240 nan 0.000 0.550 8 R N -0.729 119.793 120.500 0.038 0.000 2.437 8 R HA 0.226 4.566 4.340 -0.000 0.000 0.257 8 R C 0.286 176.613 176.300 0.044 0.000 0.927 8 R CA -0.019 56.103 56.100 0.037 0.000 1.078 8 R CB 0.352 30.673 30.300 0.035 0.000 1.161 8 R HN 0.216 nan 8.270 nan 0.000 0.529 9 D N 2.036 122.471 120.400 0.058 0.000 2.427 9 D HA 0.059 4.699 4.640 -0.000 0.000 0.224 9 D C -0.354 175.932 176.300 -0.023 0.000 1.157 9 D CA 0.028 54.062 54.000 0.057 0.000 0.828 9 D CB 0.597 41.503 40.800 0.177 0.000 0.974 9 D HN 0.286 nan 8.370 nan 0.000 0.498 10 R N -0.085 120.404 120.500 -0.019 0.000 2.686 10 R HA 0.589 4.929 4.340 -0.000 0.000 0.286 10 R C -3.117 173.178 176.300 -0.008 0.000 0.969 10 R CA -1.675 54.401 56.100 -0.041 0.000 0.898 10 R CB 0.192 30.459 30.300 -0.056 0.000 1.183 10 R HN -0.357 nan 8.270 nan 0.000 0.456 11 P HA 0.117 nan 4.420 nan 0.000 0.264 11 P C -1.027 176.301 177.300 0.047 0.000 1.193 11 P CA 0.161 63.276 63.100 0.026 0.000 0.763 11 P CB 0.446 32.162 31.700 0.025 0.000 0.810 12 L N 2.807 124.076 121.223 0.077 0.000 2.479 12 L HA 0.563 4.903 4.340 -0.000 0.000 0.255 12 L C 0.092 177.064 176.870 0.169 0.000 1.026 12 L CA -0.965 53.948 54.840 0.121 0.000 0.842 12 L CB 2.376 44.491 42.059 0.093 0.000 1.444 12 L HN 0.224 nan 8.230 nan 0.000 0.409 13 R N 1.030 121.692 120.500 0.269 0.000 2.803 13 R HA 0.383 4.723 4.340 -0.000 0.000 0.276 13 R C -1.931 174.508 176.300 0.231 0.000 0.978 13 R CA -1.707 54.527 56.100 0.223 0.000 0.939 13 R CB 1.821 32.234 30.300 0.189 0.000 1.179 13 R HN 0.306 nan 8.270 nan 0.000 0.472 14 P HA -0.158 nan 4.420 nan 0.000 0.219 14 P C 0.679 178.184 177.300 0.340 0.000 1.146 14 P CA 1.580 64.803 63.100 0.204 0.000 0.808 14 P CB 0.290 32.081 31.700 0.151 0.000 0.779 15 G N 0.021 108.960 108.800 0.232 0.000 2.642 15 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.231 15 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.231 15 G C -1.226 173.643 174.900 -0.053 0.000 1.338 15 G CA -0.211 45.008 45.100 0.198 0.000 0.883 15 G HN 0.301 nan 8.290 nan 0.000 0.570 16 D N 0.543 120.818 120.400 -0.208 0.000 2.671 16 D HA 0.481 5.121 4.640 -0.000 0.000 0.232 16 D C -1.269 174.718 176.300 -0.521 0.000 1.114 16 D CA -0.780 52.977 54.000 -0.405 0.000 0.858 16 D CB 2.846 43.555 40.800 -0.152 0.000 1.544 16 D HN 0.151 nan 8.370 nan 0.000 0.471 17 P HA -0.115 nan 4.420 nan 0.000 0.214 17 P C 0.438 177.737 177.300 -0.002 0.000 1.162 17 P CA 0.740 63.749 63.100 -0.150 0.000 0.871 17 P CB 0.423 32.107 31.700 -0.026 0.000 0.783 18 Y N 2.648 122.898 120.300 -0.084 0.000 2.299 18 Y HA 0.404 4.954 4.550 -0.000 0.000 0.326 18 Y C -2.096 173.779 175.900 -0.043 0.000 1.164 18 Y CA -2.372 55.703 58.100 -0.043 0.000 1.234 18 Y CB 0.352 38.800 38.460 -0.020 0.000 1.219 18 Y HN -0.026 nan 8.280 nan 0.000 0.497 19 P HA 0.206 nan 4.420 nan 0.000 0.301 19 P C -1.330 175.708 177.300 -0.436 0.000 1.309 19 P CA -0.574 61.914 63.100 -1.020 0.000 0.782 19 P CB 1.256 32.212 31.700 -1.239 0.000 1.282 20 L N -0.549 120.400 121.223 -0.457 0.000 2.417 20 L HA 0.500 4.839 4.340 -0.000 0.000 0.268 20 L C 1.428 178.066 176.870 -0.387 0.000 1.158 20 L CA 1.159 55.645 54.840 -0.591 0.000 0.819 20 L CB -0.685 40.484 42.059 -1.482 0.000 1.112 20 L HN 0.949 nan 8.230 nan 0.000 0.458 21 G N 2.222 110.891 108.800 -0.217 0.000 2.526 21 G HA2 -0.110 3.849 3.960 -0.000 0.000 0.250 21 G HA3 -0.110 3.849 3.960 -0.000 0.000 0.250 21 G C -0.524 174.357 174.900 -0.031 0.000 1.289 21 G CA -0.255 44.839 45.100 -0.010 0.000 0.947 21 G HN 0.917 nan 8.290 nan 0.000 0.517 22 S N -0.446 115.207 115.700 -0.077 0.000 2.480 22 S HA 0.729 5.199 4.470 -0.000 0.000 0.286 22 S C -0.328 174.129 174.600 -0.239 0.000 1.180 22 S CA -0.503 57.479 58.200 -0.363 0.000 1.075 22 S CB 1.817 64.660 63.200 -0.593 0.000 0.996 22 S HN 0.881 nan 8.310 nan 0.000 0.487 23 N N 1.919 120.462 118.700 -0.260 0.000 2.519 23 N HA 0.243 4.983 4.740 -0.000 0.000 0.286 23 N C -1.400 174.101 175.510 -0.015 0.000 1.079 23 N CA -0.449 52.549 53.050 -0.087 0.000 0.878 23 N CB 1.014 39.458 38.487 -0.072 0.000 1.375 23 N HN 0.882 nan 8.380 nan 0.000 0.514 24 W N 6.540 127.778 121.300 -0.103 0.000 2.469 24 W HA 0.240 4.900 4.660 -0.000 0.000 0.321 24 W C -1.183 175.337 176.519 0.003 0.000 1.415 24 W CA -0.109 57.199 57.345 -0.061 0.000 1.308 24 W CB 0.307 29.747 29.460 -0.033 0.000 1.368 24 W HN 0.430 nan 8.180 nan 0.000 0.546 25 I N 6.986 127.158 120.570 -0.664 0.000 2.377 25 I HA -0.049 4.121 4.170 -0.000 0.000 0.282 25 I C 1.359 176.836 176.117 -1.067 0.000 1.091 25 I CA -0.143 60.769 61.300 -0.646 0.000 1.207 25 I CB 0.924 38.804 38.000 -0.199 0.000 1.429 25 I HN 0.608 nan 8.210 nan 0.000 0.491 26 E N 3.082 122.530 120.200 -1.253 0.000 2.065 26 E HA -0.289 4.061 4.350 -0.000 0.000 0.201 26 E C 1.005 177.342 176.600 -0.439 0.000 1.016 26 E CA 2.123 57.979 56.400 -0.907 0.000 0.818 26 E CB 0.308 29.845 29.700 -0.273 0.000 0.749 26 E HN 0.603 nan 8.360 nan 0.000 0.453 27 D N 0.111 120.335 120.400 -0.294 0.000 2.178 27 D HA -0.111 4.529 4.640 -0.000 0.000 0.201 27 D C 0.937 177.163 176.300 -0.124 0.000 0.980 27 D CA 0.968 54.874 54.000 -0.155 0.000 0.842 27 D CB -0.090 40.633 40.800 -0.129 0.000 0.948 27 D HN 0.186 nan 8.370 nan 0.000 0.472 28 D N 0.022 120.331 120.400 -0.151 0.000 2.349 28 D HA -0.017 4.622 4.640 -0.000 0.000 0.214 28 D C -0.270 176.087 176.300 0.095 0.000 1.063 28 D CA 0.052 54.021 54.000 -0.052 0.000 0.847 28 D CB 0.047 40.745 40.800 -0.169 0.000 0.933 28 D HN 0.037 nan 8.370 nan 0.000 0.513 29 D N 0.419 120.809 120.400 -0.016 0.000 2.904 29 D HA -0.101 4.539 4.640 -0.000 0.000 0.231 29 D C 0.134 176.540 176.300 0.176 0.000 1.185 29 D CA 1.327 55.384 54.000 0.095 0.000 0.783 29 D CB -0.904 39.975 40.800 0.132 0.000 0.961 29 D HN 0.402 nan 8.370 nan 0.000 0.409 30 G N -1.367 107.502 108.800 0.115 0.000 2.316 30 G HA2 0.464 4.423 3.960 -0.000 0.000 0.296 30 G HA3 0.464 4.423 3.960 -0.000 0.000 0.296 30 G C -1.212 173.568 174.900 -0.201 0.000 1.399 30 G CA -0.220 44.836 45.100 -0.073 0.000 0.833 30 G HN 0.559 nan 8.290 nan 0.000 0.565 31 V N 1.055 120.699 119.914 -0.449 0.000 2.630 31 V HA 0.571 4.691 4.120 -0.000 0.000 0.305 31 V C -0.052 175.711 176.094 -0.551 0.000 1.046 31 V CA -1.108 60.952 62.300 -0.399 0.000 0.934 31 V CB 1.879 33.392 31.823 -0.517 0.000 1.003 31 V HN 0.731 nan 8.190 nan 0.000 0.451 32 N N 2.715 121.234 118.700 -0.302 0.000 2.444 32 N HA 0.412 5.152 4.740 -0.000 0.000 0.262 32 N C -1.708 173.618 175.510 -0.307 0.000 0.974 32 N CA -0.284 52.736 53.050 -0.049 0.000 0.933 32 N CB 0.968 39.550 38.487 0.157 0.000 1.137 32 N HN 0.452 nan 8.380 nan 0.000 0.498 33 F N 1.315 121.303 119.950 0.062 0.000 2.404 33 F HA 0.336 4.862 4.527 -0.000 0.000 0.354 33 F C 0.879 176.779 175.800 0.167 0.000 1.122 33 F CA -0.509 57.531 58.000 0.067 0.000 1.080 33 F CB 1.733 40.767 39.000 0.056 0.000 1.131 33 F HN 0.217 nan 8.300 nan 0.000 0.471 34 S N 4.060 119.922 115.700 0.269 0.000 2.536 34 S HA 0.839 5.309 4.470 -0.000 0.000 0.287 34 S C -1.715 172.960 174.600 0.124 0.000 1.101 34 S CA -0.535 57.786 58.200 0.202 0.000 0.950 34 S CB 1.320 64.565 63.200 0.075 0.000 1.056 34 S HN 0.606 nan 8.310 nan 0.000 0.481 35 L N 4.678 125.971 121.223 0.118 0.000 2.614 35 L HA 0.597 4.937 4.340 -0.000 0.000 0.264 35 L C -1.383 175.599 176.870 0.187 0.000 0.940 35 L CA -0.551 54.309 54.840 0.033 0.000 0.903 35 L CB 1.409 43.282 42.059 -0.310 0.000 1.306 35 L HN 0.690 nan 8.230 nan 0.000 0.410 36 F N 4.725 124.726 119.950 0.085 0.000 2.504 36 F HA 0.643 5.170 4.527 -0.000 0.000 0.369 36 F C -0.077 175.860 175.800 0.229 0.000 1.082 36 F CA 0.353 58.455 58.000 0.169 0.000 1.216 36 F CB 0.876 39.961 39.000 0.141 0.000 1.108 36 F HN 0.506 nan 8.300 nan 0.000 0.554 37 S N 5.032 120.623 115.700 -0.182 0.000 2.706 37 S HA 0.174 4.644 4.470 -0.000 0.000 0.270 37 S C 0.431 175.061 174.600 0.049 0.000 1.163 37 S CA -0.589 57.428 58.200 -0.305 0.000 1.042 37 S CB 0.922 64.051 63.200 -0.118 0.000 1.079 37 S HN 0.920 nan 8.310 nan 0.000 0.474 38 E N 2.931 123.069 120.200 -0.103 0.000 2.072 38 E HA 0.009 4.358 4.350 -0.000 0.000 0.190 38 E C 1.063 177.823 176.600 0.267 0.000 0.982 38 E CA 1.128 57.660 56.400 0.221 0.000 0.803 38 E CB 0.183 30.064 29.700 0.303 0.000 0.755 38 E HN 0.604 nan 8.360 nan 0.000 0.453 39 N N -0.488 118.400 118.700 0.312 0.000 2.257 39 N HA 0.133 4.873 4.740 -0.000 0.000 0.200 39 N C -0.367 175.462 175.510 0.531 0.000 1.163 39 N CA 0.373 53.649 53.050 0.378 0.000 0.891 39 N CB 0.679 39.343 38.487 0.294 0.000 1.067 39 N HN 0.013 nan 8.380 nan 0.000 0.497 40 A N 1.540 124.598 122.820 0.397 0.000 2.587 40 A HA -0.029 4.291 4.320 -0.000 0.000 0.235 40 A C 0.966 178.704 177.584 0.257 0.000 1.044 40 A CA 0.356 52.414 52.037 0.036 0.000 0.754 40 A CB 0.210 18.936 19.000 -0.457 0.000 0.968 40 A HN 0.276 nan 8.150 nan 0.000 0.509 41 E N 0.946 121.244 120.200 0.162 0.000 2.340 41 E HA 0.100 4.450 4.350 -0.000 0.000 0.194 41 E C 0.432 177.106 176.600 0.124 0.000 0.996 41 E CA 0.469 57.002 56.400 0.223 0.000 0.869 41 E CB 0.321 30.133 29.700 0.186 0.000 0.835 41 E HN 0.596 nan 8.360 nan 0.000 0.493 42 K N 0.743 121.031 120.400 -0.185 0.000 2.562 42 K HA 0.399 4.719 4.320 -0.000 0.000 0.267 42 K C -1.948 174.299 176.600 -0.588 0.000 0.938 42 K CA -0.496 55.569 56.287 -0.369 0.000 0.840 42 K CB 2.512 34.785 32.500 -0.377 0.000 1.390 42 K HN -0.146 nan 8.250 nan 0.000 0.428 43 V N 2.327 121.858 119.914 -0.638 0.000 2.760 43 V HA 0.462 4.582 4.120 -0.000 0.000 0.309 43 V C -1.078 174.904 176.094 -0.187 0.000 1.077 43 V CA -0.810 61.185 62.300 -0.508 0.000 0.910 43 V CB 1.967 33.281 31.823 -0.849 0.000 1.008 43 V HN 0.780 nan 8.190 nan 0.000 0.424 44 E N 2.852 123.042 120.200 -0.016 0.000 2.246 44 E HA 0.479 4.828 4.350 -0.000 0.000 0.266 44 E C -1.561 175.112 176.600 0.122 0.000 0.880 44 E CA -0.887 55.540 56.400 0.045 0.000 0.762 44 E CB 2.874 32.625 29.700 0.086 0.000 1.180 44 E HN 0.526 nan 8.360 nan 0.000 0.416 45 L N 4.770 126.009 121.223 0.027 0.000 2.264 45 L HA 0.382 4.722 4.340 -0.000 0.000 0.289 45 L C -1.457 175.289 176.870 -0.208 0.000 1.044 45 L CA -0.194 54.570 54.840 -0.125 0.000 0.807 45 L CB 0.448 42.342 42.059 -0.276 0.000 1.192 45 L HN 0.458 nan 8.230 nan 0.000 0.425 46 L N 6.604 127.701 121.223 -0.209 0.000 2.282 46 L HA 0.450 4.790 4.340 -0.000 0.000 0.288 46 L C -0.701 176.042 176.870 -0.213 0.000 1.033 46 L CA -0.551 54.156 54.840 -0.221 0.000 0.807 46 L CB 1.230 43.204 42.059 -0.140 0.000 1.209 46 L HN 0.556 nan 8.230 nan 0.000 0.423 47 L N 4.239 125.287 121.223 -0.292 0.000 2.294 47 L HA 0.448 4.788 4.340 -0.000 0.000 0.283 47 L C -0.786 175.938 176.870 -0.243 0.000 1.015 47 L CA -0.540 54.200 54.840 -0.167 0.000 0.831 47 L CB 0.666 42.642 42.059 -0.140 0.000 1.217 47 L HN 0.423 nan 8.230 nan 0.000 0.420 48 Y N 0.633 120.908 120.300 -0.042 0.000 2.403 48 Y HA 0.440 4.990 4.550 -0.000 0.000 0.323 48 Y C 0.919 176.797 175.900 -0.036 0.000 1.226 48 Y CA -0.582 57.493 58.100 -0.042 0.000 1.235 48 Y CB 1.735 40.160 38.460 -0.058 0.000 1.248 48 Y HN 0.563 nan 8.280 nan 0.000 0.489 49 S N 0.608 116.379 115.700 0.118 0.000 2.651 49 S HA 0.383 4.853 4.470 -0.000 0.000 0.291 49 S C 0.742 175.366 174.600 0.039 0.000 1.141 49 S CA -0.818 57.413 58.200 0.051 0.000 1.027 49 S CB 0.817 64.026 63.200 0.014 0.000 1.043 49 S HN 0.718 nan 8.310 nan 0.000 0.530 50 L N 1.081 122.309 121.223 0.008 0.000 2.021 50 L HA -0.184 4.156 4.340 -0.000 0.000 0.215 50 L C 3.117 179.974 176.870 -0.021 0.000 1.074 50 L CA 1.987 56.819 54.840 -0.013 0.000 0.760 50 L CB -1.613 40.434 42.059 -0.020 0.000 0.889 50 L HN 1.019 nan 8.230 nan 0.000 0.433 51 T N -2.750 111.792 114.554 -0.019 0.000 2.639 51 T HA -0.134 4.216 4.350 -0.000 0.000 0.261 51 T C 1.140 175.820 174.700 -0.033 0.000 1.053 51 T CA 0.652 62.734 62.100 -0.029 0.000 1.158 51 T CB -0.384 68.466 68.868 -0.029 0.000 0.863 51 T HN 0.140 nan 8.240 nan 0.000 0.413 52 N N 1.905 120.594 118.700 -0.018 0.000 2.414 52 N HA 0.209 4.949 4.740 -0.000 0.000 0.256 52 N C -0.463 175.079 175.510 0.053 0.000 1.029 52 N CA -0.158 52.882 53.050 -0.018 0.000 0.948 52 N CB 1.219 39.688 38.487 -0.030 0.000 1.102 52 N HN 0.552 nan 8.380 nan 0.000 0.496 53 Q N 2.210 122.017 119.800 0.012 0.000 2.084 53 Q HA 0.186 4.526 4.340 -0.000 0.000 0.230 53 Q C 0.521 176.514 176.000 -0.011 0.000 0.806 53 Q CA -0.198 55.619 55.803 0.023 0.000 1.083 53 Q CB 0.832 29.467 28.738 -0.172 0.000 1.208 53 Q HN 0.510 nan 8.270 nan 0.000 0.462 54 K N -0.116 120.282 120.400 -0.004 0.000 2.029 54 K HA 0.040 4.360 4.320 -0.000 0.000 0.205 54 K C 0.405 177.218 176.600 0.355 0.000 1.042 54 K CA 0.942 57.224 56.287 -0.008 0.000 0.949 54 K CB 0.308 32.644 32.500 -0.272 0.000 0.740 54 K HN 0.112 nan 8.250 nan 0.000 0.442 55 Y N 0.611 120.955 120.300 0.073 0.000 2.568 55 Y HA 0.319 4.869 4.550 -0.000 0.000 0.327 55 Y C -2.262 173.602 175.900 -0.060 0.000 1.163 55 Y CA -3.398 54.723 58.100 0.036 0.000 1.219 55 Y CB 1.015 39.459 38.460 -0.026 0.000 1.308 55 Y HN -0.222 nan 8.280 nan 0.000 0.503 56 P HA 0.092 nan 4.420 nan 0.000 0.282 56 P C 0.184 177.315 177.300 -0.282 0.000 1.262 56 P CA -0.288 62.434 63.100 -0.630 0.000 0.773 56 P CB 1.172 32.535 31.700 -0.562 0.000 0.879 57 K N 2.788 123.030 120.400 -0.264 0.000 2.074 57 K HA -0.164 4.155 4.320 -0.000 0.000 0.209 57 K C 0.415 176.938 176.600 -0.129 0.000 1.048 57 K CA 1.630 57.838 56.287 -0.132 0.000 0.926 57 K CB 0.273 32.716 32.500 -0.095 0.000 0.713 57 K HN 0.533 nan 8.250 nan 0.000 0.444 58 E N -0.442 119.648 120.200 -0.184 0.000 2.392 58 E HA 0.299 4.649 4.350 -0.000 0.000 0.279 58 E C -1.567 174.928 176.600 -0.175 0.000 0.964 58 E CA -0.622 55.692 56.400 -0.144 0.000 0.777 58 E CB 1.521 31.151 29.700 -0.116 0.000 1.249 58 E HN 0.081 nan 8.360 nan 0.000 0.449 59 I N 4.568 125.062 120.570 -0.125 0.000 2.362 59 I HA 0.409 4.579 4.170 -0.000 0.000 0.289 59 I C -0.492 175.571 176.117 -0.089 0.000 0.994 59 I CA -0.715 60.517 61.300 -0.114 0.000 1.158 59 I CB 1.313 39.265 38.000 -0.080 0.000 1.315 59 I HN 0.410 nan 8.210 nan 0.000 0.451 60 I N 5.816 126.325 120.570 -0.102 0.000 2.436 60 I HA 0.272 4.442 4.170 -0.000 0.000 0.289 60 I C 0.009 176.093 176.117 -0.055 0.000 1.010 60 I CA -0.598 60.654 61.300 -0.080 0.000 1.098 60 I CB 2.029 39.964 38.000 -0.109 0.000 1.266 60 I HN 0.581 nan 8.210 nan 0.000 0.434 61 E N 5.819 125.997 120.200 -0.037 0.000 2.223 61 E HA 0.230 4.580 4.350 -0.000 0.000 0.282 61 E C -0.832 175.775 176.600 0.011 0.000 1.046 61 E CA -0.607 55.773 56.400 -0.033 0.000 0.857 61 E CB 1.245 30.912 29.700 -0.054 0.000 1.055 61 E HN 0.389 nan 8.360 nan 0.000 0.409 62 V N 6.916 126.852 119.914 0.035 0.000 2.341 62 V HA 0.004 4.124 4.120 -0.000 0.000 0.248 62 V C 1.173 177.380 176.094 0.188 0.000 1.107 62 V CA 0.327 62.694 62.300 0.113 0.000 1.069 62 V CB 0.097 32.009 31.823 0.148 0.000 1.177 62 V HN 0.722 nan 8.190 nan 0.000 0.492 63 K N 2.431 122.900 120.400 0.115 0.000 2.098 63 K HA 0.033 4.353 4.320 -0.000 0.000 0.203 63 K C 0.697 177.319 176.600 0.037 0.000 1.051 63 K CA 0.519 56.868 56.287 0.103 0.000 0.957 63 K CB 0.098 32.628 32.500 0.049 0.000 0.738 63 K HN 0.572 nan 8.250 nan 0.000 0.447 64 N N 1.443 120.119 118.700 -0.040 0.000 2.508 64 N HA 0.046 4.786 4.740 -0.000 0.000 0.264 64 N C -0.737 174.508 175.510 -0.441 0.000 1.216 64 N CA 0.494 53.426 53.050 -0.196 0.000 0.943 64 N CB 0.805 39.192 38.487 -0.167 0.000 1.113 64 N HN -0.033 nan 8.380 nan 0.000 0.447 65 K N 0.042 120.176 120.400 -0.443 0.000 2.536 65 K HA 0.503 4.823 4.320 -0.000 0.000 0.269 65 K C -1.654 174.828 176.600 -0.197 0.000 0.965 65 K CA -0.636 55.349 56.287 -0.503 0.000 0.860 65 K CB 1.614 33.682 32.500 -0.720 0.000 1.423 65 K HN 0.443 nan 8.250 nan 0.000 0.438 66 T N 1.701 116.210 114.554 -0.074 0.000 3.160 66 T HA 0.400 4.750 4.350 -0.000 0.000 0.344 66 T C 0.116 174.823 174.700 0.011 0.000 0.981 66 T CA -0.005 62.126 62.100 0.050 0.000 1.170 66 T CB 1.068 70.060 68.868 0.206 0.000 1.016 66 T HN 0.978 nan 8.240 nan 0.000 0.492 67 G N 4.180 112.961 108.800 -0.032 0.000 2.595 67 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.297 67 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.297 67 G C 0.172 175.053 174.900 -0.031 0.000 1.181 67 G CA 0.600 45.693 45.100 -0.013 0.000 0.963 67 G HN 0.801 nan 8.290 nan 0.000 0.541 68 D N 0.634 121.071 120.400 0.062 0.000 2.559 68 D HA 0.455 5.095 4.640 -0.000 0.000 0.234 68 D C 0.443 176.887 176.300 0.241 0.000 1.226 68 D CA -0.135 53.958 54.000 0.154 0.000 0.830 68 D CB -0.112 40.887 40.800 0.332 0.000 1.028 68 D HN 0.630 nan 8.370 nan 0.000 0.492 69 I N 1.048 121.674 120.570 0.093 0.000 2.439 69 I HA 0.292 4.462 4.170 -0.000 0.000 0.283 69 I C -0.856 175.314 176.117 0.087 0.000 1.023 69 I CA -1.025 60.397 61.300 0.204 0.000 1.100 69 I CB 1.033 39.168 38.000 0.226 0.000 1.238 69 I HN -0.163 nan 8.210 nan 0.000 0.445 70 W N 5.541 126.864 121.300 0.038 0.000 2.261 70 W HA 0.443 5.103 4.660 -0.000 0.000 0.323 70 W C 0.206 176.741 176.519 0.026 0.000 1.243 70 W CA 0.081 57.386 57.345 -0.067 0.000 1.210 70 W CB 0.161 29.552 29.460 -0.115 0.000 1.149 70 W HN 0.500 nan 8.180 nan 0.000 0.562 71 H N -0.774 118.446 119.070 0.251 0.000 3.079 71 H HA 0.741 5.297 4.556 -0.000 0.000 0.356 71 H C -1.898 173.561 175.328 0.219 0.000 1.221 71 H CA -1.377 54.801 56.048 0.216 0.000 1.185 71 H CB 1.214 31.067 29.762 0.152 0.000 1.882 71 H HN 0.444 nan 8.280 nan 0.000 0.543 72 V N 2.659 122.805 119.914 0.387 0.000 3.159 72 V HA 0.617 4.737 4.120 -0.000 0.000 0.308 72 V C -1.735 174.616 176.094 0.428 0.000 1.190 72 V CA -1.098 61.412 62.300 0.349 0.000 1.037 72 V CB 2.293 34.248 31.823 0.220 0.000 1.060 72 V HN 0.811 nan 8.190 nan 0.000 0.437 73 F N 4.533 124.610 119.950 0.211 0.000 2.427 73 F HA 0.715 5.242 4.527 -0.000 0.000 0.348 73 F C -0.569 175.328 175.800 0.161 0.000 1.125 73 F CA -0.526 57.575 58.000 0.169 0.000 0.989 73 F CB 1.599 40.648 39.000 0.083 0.000 1.165 73 F HN 0.313 nan 8.300 nan 0.000 0.442 74 V N 8.321 128.043 119.914 -0.319 0.000 2.348 74 V HA 0.322 4.442 4.120 -0.000 0.000 0.270 74 V C -2.107 173.716 176.094 -0.451 0.000 1.037 74 V CA -1.903 60.266 62.300 -0.219 0.000 0.872 74 V CB 0.736 32.549 31.823 -0.016 0.000 1.002 74 V HN 0.619 nan 8.190 nan 0.000 0.464 75 P HA 0.295 nan 4.420 nan 0.000 0.268 75 P C 1.059 178.331 177.300 -0.047 0.000 1.205 75 P CA 1.224 64.276 63.100 -0.080 0.000 0.771 75 P CB 0.946 32.688 31.700 0.069 0.000 0.858 76 G N 1.625 110.431 108.800 0.011 0.000 2.308 76 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.221 76 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.221 76 G C 0.021 174.954 174.900 0.056 0.000 1.032 76 G CA -0.430 44.695 45.100 0.040 0.000 0.623 76 G HN 0.461 nan 8.290 nan 0.000 0.506 77 L N 1.177 122.421 121.223 0.034 0.000 2.485 77 L HA 0.478 4.818 4.340 -0.000 0.000 0.275 77 L C 1.095 178.031 176.870 0.110 0.000 1.207 77 L CA 0.297 55.167 54.840 0.050 0.000 0.855 77 L CB 0.446 42.541 42.059 0.060 0.000 1.114 77 L HN 0.344 nan 8.230 nan 0.000 0.485 78 R N 2.731 123.203 120.500 -0.046 0.000 2.919 78 R HA 0.482 4.822 4.340 -0.000 0.000 0.260 78 R C -2.419 173.683 176.300 -0.330 0.000 1.067 78 R CA -1.722 54.169 56.100 -0.349 0.000 1.003 78 R CB 0.705 30.742 30.300 -0.438 0.000 1.192 78 R HN 0.417 nan 8.270 nan 0.000 0.488 79 P HA -0.040 nan 4.420 nan 0.000 0.265 79 P C 0.249 177.423 177.300 -0.210 0.000 1.187 79 P CA 0.874 63.771 63.100 -0.338 0.000 0.766 79 P CB 0.602 32.013 31.700 -0.481 0.000 0.820 80 G N 0.771 109.511 108.800 -0.099 0.000 2.195 80 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.224 80 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.224 80 G C 0.157 175.050 174.900 -0.012 0.000 0.990 80 G CA 0.092 45.156 45.100 -0.059 0.000 0.639 80 G HN 0.765 nan 8.290 nan 0.000 0.514 81 Q N 1.069 120.879 119.800 0.016 0.000 2.314 81 Q HA 0.644 4.984 4.340 -0.000 0.000 0.258 81 Q C 0.432 176.529 176.000 0.162 0.000 0.954 81 Q CA -0.248 55.600 55.803 0.075 0.000 0.890 81 Q CB 0.478 29.271 28.738 0.092 0.000 1.210 81 Q HN 0.443 nan 8.270 nan 0.000 0.410 82 L N 5.820 127.126 121.223 0.139 0.000 2.326 82 L HA 0.504 4.844 4.340 -0.000 0.000 0.278 82 L C -0.596 176.437 176.870 0.272 0.000 1.092 82 L CA -0.830 54.095 54.840 0.143 0.000 0.810 82 L CB 0.311 42.409 42.059 0.065 0.000 1.153 82 L HN 0.793 nan 8.230 nan 0.000 0.439 83 Y N 1.470 121.783 120.300 0.022 0.000 2.558 83 Y HA 0.839 5.389 4.550 -0.000 0.000 0.333 83 Y C -1.049 174.786 175.900 -0.108 0.000 1.125 83 Y CA -0.981 57.101 58.100 -0.030 0.000 1.039 83 Y CB 1.244 39.611 38.460 -0.154 0.000 1.331 83 Y HN 0.640 nan 8.280 nan 0.000 0.456 84 A N 1.868 124.611 122.820 -0.127 0.000 2.507 84 A HA 0.869 5.189 4.320 -0.000 0.000 0.284 84 A C -2.301 175.116 177.584 -0.279 0.000 1.281 84 A CA -1.080 50.789 52.037 -0.280 0.000 0.744 84 A CB 1.287 20.203 19.000 -0.140 0.000 1.332 84 A HN 0.840 nan 8.150 nan 0.000 0.454 85 Y N -0.478 119.805 120.300 -0.028 0.000 2.536 85 Y HA 0.633 5.183 4.550 -0.000 0.000 0.347 85 Y C 0.318 176.174 175.900 -0.072 0.000 1.000 85 Y CA -0.741 57.332 58.100 -0.044 0.000 1.051 85 Y CB 2.242 40.663 38.460 -0.064 0.000 1.259 85 Y HN 0.558 nan 8.280 nan 0.000 0.468 86 R N 1.961 122.544 120.500 0.138 0.000 2.409 86 R HA 0.509 4.849 4.340 -0.000 0.000 0.313 86 R C -1.743 174.535 176.300 -0.036 0.000 0.953 86 R CA -0.792 55.317 56.100 0.016 0.000 0.849 86 R CB 1.880 32.215 30.300 0.058 0.000 1.171 86 R HN 0.358 nan 8.270 nan 0.000 0.458 87 V N 5.248 125.052 119.914 -0.182 0.000 2.318 87 V HA 0.256 4.376 4.120 -0.000 0.000 0.271 87 V C -0.440 175.444 176.094 -0.351 0.000 1.030 87 V CA -0.690 61.403 62.300 -0.346 0.000 0.844 87 V CB 0.422 31.911 31.823 -0.557 0.000 1.015 87 V HN 0.594 nan 8.190 nan 0.000 0.460 88 Y N 3.106 123.192 120.300 -0.358 0.000 2.309 88 Y HA 0.673 5.222 4.550 -0.000 0.000 0.327 88 Y C 1.017 176.813 175.900 -0.173 0.000 1.172 88 Y CA 0.547 58.539 58.100 -0.180 0.000 1.280 88 Y CB 1.753 40.145 38.460 -0.113 0.000 1.234 88 Y HN 0.776 nan 8.280 nan 0.000 0.512 89 G N 2.674 111.629 108.800 0.259 0.000 2.441 89 G HA2 0.355 4.315 3.960 -0.000 0.000 0.294 89 G HA3 0.355 4.315 3.960 -0.000 0.000 0.294 89 G C -3.325 171.874 174.900 0.498 0.000 1.393 89 G CA -1.276 44.169 45.100 0.575 0.000 0.796 89 G HN 0.303 nan 8.290 nan 0.000 0.494 90 P HA 0.275 nan 4.420 nan 0.000 0.274 90 P C -1.649 175.767 177.300 0.193 0.000 1.231 90 P CA -0.164 63.059 63.100 0.205 0.000 0.790 90 P CB 1.306 33.073 31.700 0.112 0.000 0.951 91 Y N 2.278 122.608 120.300 0.050 0.000 2.712 91 Y HA 0.337 4.887 4.550 -0.000 0.000 0.328 91 Y C 0.002 175.918 175.900 0.028 0.000 0.995 91 Y CA -0.263 57.877 58.100 0.066 0.000 1.283 91 Y CB 0.786 39.299 38.460 0.088 0.000 1.092 91 Y HN 0.210 nan 8.280 nan 0.000 0.519 92 K N 7.446 127.722 120.400 -0.207 0.000 2.920 92 K HA 0.215 4.535 4.320 -0.000 0.000 0.175 92 K C -2.208 174.249 176.600 -0.239 0.000 1.099 92 K CA -1.667 54.533 56.287 -0.145 0.000 0.939 92 K CB 1.078 33.537 32.500 -0.068 0.000 1.148 92 K HN 0.321 nan 8.250 nan 0.000 0.613 93 P HA -0.263 nan 4.420 nan 0.000 0.218 93 P C 0.324 177.504 177.300 -0.199 0.000 1.152 93 P CA 1.639 64.552 63.100 -0.312 0.000 0.857 93 P CB 0.366 31.896 31.700 -0.283 0.000 0.787 94 E N -0.483 119.638 120.200 -0.132 0.000 2.418 94 E HA -0.015 4.335 4.350 -0.000 0.000 0.197 94 E C 1.945 178.497 176.600 -0.080 0.000 1.026 94 E CA 0.556 56.902 56.400 -0.091 0.000 0.862 94 E CB -1.047 28.629 29.700 -0.039 0.000 0.799 94 E HN 0.329 nan 8.360 nan 0.000 0.518 95 L N -0.888 120.275 121.223 -0.100 0.000 2.590 95 L HA 0.343 4.683 4.340 -0.000 0.000 0.227 95 L C 1.303 178.106 176.870 -0.112 0.000 1.099 95 L CA 0.381 55.170 54.840 -0.085 0.000 0.872 95 L CB 0.310 42.326 42.059 -0.071 0.000 1.088 95 L HN 0.397 nan 8.230 nan 0.000 0.479 96 G N 0.332 109.036 108.800 -0.159 0.000 2.179 96 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 96 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 96 G C 0.206 174.983 174.900 -0.205 0.000 0.990 96 G CA -0.469 44.525 45.100 -0.177 0.000 0.646 96 G HN 0.133 nan 8.290 nan 0.000 0.517 97 L N 0.896 121.969 121.223 -0.250 0.000 2.295 97 L HA 0.518 4.858 4.340 -0.000 0.000 0.288 97 L C 1.134 177.756 176.870 -0.413 0.000 1.079 97 L CA -0.226 54.397 54.840 -0.361 0.000 0.830 97 L CB 0.761 42.644 42.059 -0.293 0.000 1.200 97 L HN 0.114 nan 8.230 nan 0.000 0.438 98 R N 3.503 123.797 120.500 -0.342 0.000 2.776 98 R HA 0.339 4.679 4.340 -0.000 0.000 0.391 98 R C -0.598 175.859 176.300 0.260 0.000 1.116 98 R CA -0.294 55.708 56.100 -0.164 0.000 1.056 98 R CB 0.502 30.802 30.300 -0.001 0.000 1.369 98 R HN 0.437 nan 8.270 nan 0.000 0.590 99 F N 1.059 121.150 119.950 0.235 0.000 2.443 99 F HA 0.200 4.727 4.527 -0.000 0.000 0.353 99 F C 0.946 176.997 175.800 0.419 0.000 1.101 99 F CA -0.407 57.750 58.000 0.262 0.000 1.226 99 F CB 0.878 39.986 39.000 0.180 0.000 1.140 99 F HN 0.082 nan 8.300 nan 0.000 0.557 100 N N 5.449 124.399 118.700 0.416 0.000 2.701 100 N HA 0.165 4.905 4.740 -0.000 0.000 0.258 100 N C -2.287 173.212 175.510 -0.019 0.000 1.262 100 N CA -1.695 51.493 53.050 0.229 0.000 0.780 100 N CB 1.470 39.989 38.487 0.054 0.000 1.380 100 N HN 0.084 nan 8.380 nan 0.000 0.548 101 P HA 0.036 nan 4.420 nan 0.000 0.239 101 P C 0.246 177.375 177.300 -0.284 0.000 1.184 101 P CA 0.582 63.418 63.100 -0.441 0.000 0.760 101 P CB 0.419 31.380 31.700 -1.232 0.000 0.884 102 N N -0.154 118.442 118.700 -0.173 0.000 2.459 102 N HA -0.056 4.684 4.740 -0.000 0.000 0.181 102 N C 0.290 175.746 175.510 -0.089 0.000 1.046 102 N CA 0.914 53.889 53.050 -0.125 0.000 0.904 102 N CB -0.232 38.172 38.487 -0.139 0.000 0.964 102 N HN 0.004 nan 8.380 nan 0.000 0.444 103 K N 0.980 121.329 120.400 -0.086 0.000 2.264 103 K HA 0.268 4.588 4.320 -0.000 0.000 0.277 103 K C -0.710 175.863 176.600 -0.045 0.000 1.067 103 K CA -0.573 55.685 56.287 -0.048 0.000 0.900 103 K CB 1.062 33.544 32.500 -0.031 0.000 1.124 103 K HN -0.206 nan 8.250 nan 0.000 0.469 104 V N 4.879 124.775 119.914 -0.030 0.000 2.521 104 V HA 0.082 4.202 4.120 -0.000 0.000 0.286 104 V C 0.250 176.307 176.094 -0.062 0.000 1.034 104 V CA -0.372 61.912 62.300 -0.027 0.000 1.045 104 V CB 0.427 32.250 31.823 -0.001 0.000 0.974 104 V HN 0.400 nan 8.190 nan 0.000 0.480 105 L N 5.793 126.981 121.223 -0.058 0.000 2.330 105 L HA 0.602 4.941 4.340 -0.000 0.000 0.271 105 L C 0.012 176.803 176.870 -0.132 0.000 1.013 105 L CA -0.698 54.089 54.840 -0.089 0.000 0.816 105 L CB 1.769 43.791 42.059 -0.062 0.000 1.287 105 L HN 0.441 nan 8.230 nan 0.000 0.435 106 I N 1.419 121.868 120.570 -0.202 0.000 2.428 106 I HA 0.117 4.287 4.170 -0.000 0.000 0.289 106 I C 0.386 176.378 176.117 -0.208 0.000 1.019 106 I CA -0.552 60.591 61.300 -0.262 0.000 1.351 106 I CB 0.861 38.674 38.000 -0.313 0.000 1.412 106 I HN 0.491 nan 8.210 nan 0.000 0.513 107 D N 9.115 129.424 120.400 -0.152 0.000 2.382 107 D HA 0.058 4.698 4.640 -0.000 0.000 0.259 107 D C -1.494 174.775 176.300 -0.051 0.000 1.224 107 D CA -1.997 52.036 54.000 0.056 0.000 0.894 107 D CB 1.274 42.232 40.800 0.265 0.000 1.127 107 D HN 0.275 nan 8.370 nan 0.000 0.487 108 P HA -0.111 nan 4.420 nan 0.000 0.234 108 P C 0.289 177.638 177.300 0.082 0.000 1.167 108 P CA 0.610 63.659 63.100 -0.085 0.000 0.763 108 P CB 0.010 31.676 31.700 -0.056 0.000 0.835 109 Y N -0.065 120.112 120.300 -0.206 0.000 2.636 109 Y HA 0.457 5.007 4.550 -0.000 0.000 0.260 109 Y C 1.111 176.742 175.900 -0.449 0.000 1.177 109 Y CA -1.015 56.704 58.100 -0.634 0.000 1.209 109 Y CB -0.392 37.747 38.460 -0.535 0.000 1.166 109 Y HN -0.125 nan 8.280 nan 0.000 0.531 110 A N 0.835 123.587 122.820 -0.113 0.000 2.515 110 A HA 0.091 4.411 4.320 -0.000 0.000 0.263 110 A C 1.188 178.697 177.584 -0.125 0.000 1.096 110 A CA -0.073 51.914 52.037 -0.083 0.000 0.769 110 A CB 0.338 19.247 19.000 -0.153 0.000 1.040 110 A HN 0.233 nan 8.150 nan 0.000 0.505 111 K N 1.156 121.487 120.400 -0.114 0.000 2.459 111 K HA 0.233 4.553 4.320 -0.000 0.000 0.193 111 K C 0.320 176.886 176.600 -0.056 0.000 1.030 111 K CA 1.095 57.314 56.287 -0.114 0.000 1.026 111 K CB -0.077 32.364 32.500 -0.097 0.000 0.809 111 K HN 0.842 nan 8.250 nan 0.000 0.504 112 A N 1.079 123.861 122.820 -0.062 0.000 2.480 112 A HA 0.591 4.911 4.320 -0.000 0.000 0.289 112 A C -1.020 176.481 177.584 -0.139 0.000 1.044 112 A CA -0.705 51.294 52.037 -0.062 0.000 0.761 112 A CB 0.887 19.873 19.000 -0.023 0.000 1.289 112 A HN 0.095 nan 8.150 nan 0.000 0.401 113 I N 1.738 122.184 120.570 -0.207 0.000 2.441 113 I HA 0.337 4.507 4.170 -0.000 0.000 0.295 113 I C 0.035 176.033 176.117 -0.198 0.000 0.994 113 I CA -0.701 60.382 61.300 -0.361 0.000 1.144 113 I CB 2.200 39.679 38.000 -0.869 0.000 1.314 113 I HN 0.723 nan 8.210 nan 0.000 0.445 114 N N 4.758 123.346 118.700 -0.186 0.000 2.699 114 N HA 0.587 5.327 4.740 -0.000 0.000 0.232 114 N C -0.172 175.278 175.510 -0.100 0.000 1.027 114 N CA 0.372 53.357 53.050 -0.108 0.000 0.920 114 N CB 0.669 39.086 38.487 -0.116 0.000 1.148 114 N HN 0.923 nan 8.380 nan 0.000 0.509 115 G N 0.742 109.525 108.800 -0.029 0.000 2.582 115 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.222 115 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.222 115 G C -0.792 174.099 174.900 -0.014 0.000 1.311 115 G CA -0.239 44.833 45.100 -0.046 0.000 0.915 115 G HN 0.808 nan 8.290 nan 0.000 0.528 116 S N -2.672 112.982 115.700 -0.077 0.000 2.851 116 S HA 0.727 5.197 4.470 -0.000 0.000 0.313 116 S C -0.049 174.434 174.600 -0.195 0.000 1.163 116 S CA 0.265 58.406 58.200 -0.100 0.000 0.850 116 S CB 1.552 64.677 63.200 -0.126 0.000 1.245 116 S HN 1.594 nan 8.310 nan 0.000 0.558 117 V N 2.658 122.379 119.914 -0.323 0.000 2.521 117 V HA 0.252 4.372 4.120 -0.000 0.000 0.286 117 V C -0.106 175.735 176.094 -0.421 0.000 1.034 117 V CA 0.169 62.174 62.300 -0.491 0.000 1.045 117 V CB 0.384 31.617 31.823 -0.984 0.000 0.974 117 V HN 0.590 nan 8.190 nan 0.000 0.480 118 I N 5.272 125.720 120.570 -0.202 0.000 2.260 118 I HA 0.137 4.307 4.170 -0.000 0.000 0.297 118 I C 0.274 176.405 176.117 0.023 0.000 1.143 118 I CA -0.059 61.223 61.300 -0.031 0.000 1.271 118 I CB -0.057 38.029 38.000 0.142 0.000 1.461 118 I HN 0.621 nan 8.210 nan 0.000 0.530 119 W N 6.747 128.059 121.300 0.020 0.000 2.343 119 W HA 0.016 4.675 4.660 -0.000 0.000 0.337 119 W C 0.844 177.313 176.519 -0.083 0.000 1.320 119 W CA 0.392 57.734 57.345 -0.004 0.000 1.290 119 W CB 0.289 29.764 29.460 0.025 0.000 1.206 119 W HN 0.547 nan 8.180 nan 0.000 0.565 120 N N 2.066 120.929 118.700 0.272 0.000 3.217 120 N HA -0.069 4.671 4.740 -0.000 0.000 0.236 120 N C -0.394 175.116 175.510 -0.001 0.000 1.136 120 N CA -0.470 52.523 53.050 -0.095 0.000 0.997 120 N CB 1.167 39.215 38.487 -0.731 0.000 1.658 120 N HN 0.318 nan 8.380 nan 0.000 0.527 121 D N 1.833 122.190 120.400 -0.073 0.000 2.354 121 D HA -0.003 4.637 4.640 -0.000 0.000 0.216 121 D C 1.493 177.802 176.300 0.015 0.000 0.970 121 D CA 1.118 55.077 54.000 -0.068 0.000 0.905 121 D CB 0.052 40.755 40.800 -0.161 0.000 0.903 121 D HN 0.585 nan 8.370 nan 0.000 0.508 122 A N 0.028 122.818 122.820 -0.049 0.000 2.238 122 A HA 0.050 4.369 4.320 -0.000 0.000 0.208 122 A C 1.585 179.199 177.584 0.051 0.000 1.177 122 A CA 0.410 52.438 52.037 -0.015 0.000 0.804 122 A CB -0.017 18.984 19.000 0.001 0.000 0.823 122 A HN 0.188 nan 8.150 nan 0.000 0.482 123 V N -5.539 114.447 119.914 0.120 0.000 2.982 123 V HA 0.515 4.635 4.120 -0.000 0.000 0.368 123 V C 0.518 176.556 176.094 -0.094 0.000 1.350 123 V CA 0.074 62.390 62.300 0.027 0.000 1.251 123 V CB -1.206 30.613 31.823 -0.008 0.000 1.284 123 V HN 0.268 nan 8.190 nan 0.000 0.533 124 F N 0.983 120.897 119.950 -0.061 0.000 2.831 124 F HA 0.606 5.132 4.527 -0.000 0.000 0.334 124 F C 2.089 177.868 175.800 -0.036 0.000 1.071 124 F CA 0.565 58.511 58.000 -0.091 0.000 1.172 124 F CB 1.154 39.937 39.000 -0.362 0.000 1.054 124 F HN 0.355 nan 8.300 nan 0.000 0.572 125 G N 0.734 109.576 108.800 0.069 0.000 2.412 125 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.252 125 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.252 125 G C 0.228 175.167 174.900 0.065 0.000 1.038 125 G CA 0.911 46.033 45.100 0.037 0.000 0.628 125 G HN 0.512 nan 8.290 nan 0.000 0.531 126 Y N 0.050 120.417 120.300 0.111 0.000 2.487 126 Y HA 0.792 5.342 4.550 -0.000 0.000 0.337 126 Y C 0.272 176.198 175.900 0.043 0.000 1.076 126 Y CA -1.743 56.411 58.100 0.091 0.000 1.115 126 Y CB 1.095 39.663 38.460 0.180 0.000 1.235 126 Y HN 0.076 nan 8.280 nan 0.000 0.468 127 K N 3.651 124.082 120.400 0.051 0.000 2.395 127 K HA 0.030 4.350 4.320 -0.000 0.000 0.283 127 K C 0.645 177.173 176.600 -0.120 0.000 1.068 127 K CA -0.126 56.129 56.287 -0.054 0.000 1.039 127 K CB 0.510 33.030 32.500 0.034 0.000 0.924 127 K HN 0.692 nan 8.250 nan 0.000 0.468 128 I N 2.933 123.304 120.570 -0.332 0.000 2.208 128 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 128 I C 2.091 178.139 176.117 -0.115 0.000 1.097 128 I CA 1.711 62.792 61.300 -0.365 0.000 1.363 128 I CB -1.141 36.594 38.000 -0.443 0.000 1.051 128 I HN 0.885 nan 8.210 nan 0.000 0.413 129 G N -0.218 108.535 108.800 -0.078 0.000 2.408 129 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.215 129 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.215 129 G C 0.796 175.706 174.900 0.016 0.000 1.156 129 G CA -0.007 45.073 45.100 -0.034 0.000 0.793 129 G HN 0.364 nan 8.290 nan 0.000 0.535 130 D N 0.237 120.664 120.400 0.044 0.000 2.390 130 D HA -0.031 4.609 4.640 -0.000 0.000 0.236 130 D C 1.735 178.078 176.300 0.071 0.000 1.189 130 D CA 0.122 54.158 54.000 0.062 0.000 0.887 130 D CB 0.894 41.745 40.800 0.085 0.000 1.198 130 D HN 0.441 nan 8.370 nan 0.000 0.444 131 Q N 1.608 121.442 119.800 0.057 0.000 2.331 131 Q HA -0.026 4.314 4.340 -0.000 0.000 0.203 131 Q C 0.482 176.515 176.000 0.056 0.000 0.944 131 Q CA 0.829 56.661 55.803 0.049 0.000 0.892 131 Q CB 0.025 28.785 28.738 0.037 0.000 0.983 131 Q HN 0.249 nan 8.270 nan 0.000 0.482 132 N N 0.456 119.196 118.700 0.066 0.000 2.276 132 N HA 0.071 4.811 4.740 -0.000 0.000 0.212 132 N C -0.619 174.932 175.510 0.067 0.000 1.127 132 N CA 0.120 53.208 53.050 0.064 0.000 0.834 132 N CB 0.349 38.876 38.487 0.066 0.000 1.014 132 N HN 0.296 nan 8.380 nan 0.000 0.491 133 Q N -0.326 119.529 119.800 0.091 0.000 2.049 133 Q HA -0.350 3.990 4.340 -0.000 0.000 0.409 133 Q C 0.237 176.215 176.000 -0.036 0.000 0.726 133 Q CA 2.313 58.156 55.803 0.067 0.000 0.896 133 Q CB -1.082 27.646 28.738 -0.017 0.000 3.134 133 Q HN 0.643 nan 8.270 nan 0.000 0.836 134 D N 0.503 120.723 120.400 -0.301 0.000 2.371 134 D HA 0.005 4.645 4.640 -0.000 0.000 0.221 134 D C 1.478 177.759 176.300 -0.032 0.000 0.986 134 D CA 0.717 54.434 54.000 -0.471 0.000 0.899 134 D CB -0.185 40.369 40.800 -0.410 0.000 0.902 134 D HN 0.324 nan 8.370 nan 0.000 0.530 135 L N 0.580 121.828 121.223 0.041 0.000 2.554 135 L HA 0.116 4.456 4.340 -0.000 0.000 0.226 135 L C 0.922 177.969 176.870 0.296 0.000 1.137 135 L CA 0.308 55.228 54.840 0.133 0.000 0.863 135 L CB -0.665 41.438 42.059 0.074 0.000 0.985 135 L HN 0.226 nan 8.230 nan 0.000 0.451 136 T N -3.668 111.069 114.554 0.306 0.000 2.927 136 T HA 0.270 4.619 4.350 -0.000 0.000 0.281 136 T C -0.884 173.986 174.700 0.284 0.000 0.998 136 T CA -0.464 61.805 62.100 0.283 0.000 1.019 136 T CB 1.764 70.762 68.868 0.217 0.000 1.061 136 T HN 0.027 nan 8.240 nan 0.000 0.518 137 Y N 1.333 121.601 120.300 -0.053 0.000 2.555 137 Y HA 0.320 4.870 4.550 -0.000 0.000 0.326 137 Y C -0.354 175.456 175.900 -0.150 0.000 0.984 137 Y CA -1.039 56.865 58.100 -0.326 0.000 1.298 137 Y CB 0.620 38.743 38.460 -0.562 0.000 1.094 137 Y HN 0.827 nan 8.280 nan 0.000 0.500 138 D N 4.219 124.397 120.400 -0.370 0.000 2.308 138 D HA 0.075 4.714 4.640 -0.000 0.000 0.251 138 D C -0.265 175.801 176.300 -0.391 0.000 1.127 138 D CA 0.129 53.971 54.000 -0.263 0.000 0.876 138 D CB 1.239 41.934 40.800 -0.176 0.000 1.176 138 D HN 0.800 nan 8.370 nan 0.000 0.446 139 E N 2.546 122.634 120.200 -0.186 0.000 2.651 139 E HA 0.128 4.478 4.350 -0.000 0.000 0.208 139 E C -0.079 176.481 176.600 -0.068 0.000 0.997 139 E CA -0.333 55.993 56.400 -0.124 0.000 1.020 139 E CB 0.798 30.510 29.700 0.019 0.000 1.052 139 E HN 0.193 nan 8.360 nan 0.000 0.465 140 R N 1.725 122.184 120.500 -0.068 0.000 2.340 140 R HA 0.080 4.420 4.340 -0.000 0.000 0.300 140 R C -0.146 176.153 176.300 -0.002 0.000 1.069 140 R CA -0.454 55.638 56.100 -0.013 0.000 0.984 140 R CB 0.539 30.845 30.300 0.010 0.000 1.003 140 R HN 0.014 nan 8.270 nan 0.000 0.459 141 D N 1.405 121.817 120.400 0.019 0.000 2.371 141 D HA -0.034 4.606 4.640 -0.000 0.000 0.256 141 D C 0.492 176.849 176.300 0.096 0.000 1.193 141 D CA 0.088 54.100 54.000 0.020 0.000 0.881 141 D CB 0.964 41.754 40.800 -0.017 0.000 1.143 141 D HN 0.513 nan 8.370 nan 0.000 0.473 142 S N 1.753 117.506 115.700 0.089 0.000 2.577 142 S HA 0.174 4.644 4.470 -0.000 0.000 0.219 142 S C 1.832 176.501 174.600 0.116 0.000 0.962 142 S CA 0.020 58.333 58.200 0.188 0.000 0.921 142 S CB 0.399 63.659 63.200 0.101 0.000 0.789 142 S HN 0.464 nan 8.310 nan 0.000 0.497 143 G N 3.300 112.121 108.800 0.034 0.000 2.446 143 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 143 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 143 G C 1.308 176.131 174.900 -0.128 0.000 1.168 143 G CA 0.976 46.073 45.100 -0.005 0.000 0.771 143 G HN 0.820 nan 8.290 nan 0.000 0.551 144 E N -0.705 119.347 120.200 -0.247 0.000 2.516 144 E HA -0.018 4.332 4.350 -0.000 0.000 0.199 144 E C 1.291 177.595 176.600 -0.495 0.000 1.069 144 E CA 0.540 56.695 56.400 -0.409 0.000 0.876 144 E CB -0.305 29.083 29.700 -0.520 0.000 0.843 144 E HN 0.691 nan 8.360 nan 0.000 0.530 145 Y N -0.193 120.061 120.300 -0.075 0.000 2.445 145 Y HA 0.288 4.838 4.550 -0.000 0.000 0.247 145 Y C 0.342 176.143 175.900 -0.164 0.000 1.129 145 Y CA -0.661 57.382 58.100 -0.096 0.000 1.251 145 Y CB 1.328 39.757 38.460 -0.050 0.000 1.176 145 Y HN -0.105 nan 8.280 nan 0.000 0.522 146 V N 4.176 124.041 119.914 -0.081 0.000 2.435 146 V HA 0.285 4.405 4.120 -0.000 0.000 0.290 146 V C -2.112 173.837 176.094 -0.242 0.000 1.030 146 V CA -2.524 59.677 62.300 -0.164 0.000 0.881 146 V CB 1.540 33.269 31.823 -0.157 0.000 0.983 146 V HN -0.060 nan 8.190 nan 0.000 0.445 147 P HA 0.092 nan 4.420 nan 0.000 0.265 147 P C -0.817 176.281 177.300 -0.337 0.000 1.187 147 P CA -0.243 62.697 63.100 -0.265 0.000 0.766 147 P CB 0.836 32.394 31.700 -0.237 0.000 0.820 148 K N 1.414 121.597 120.400 -0.361 0.000 2.143 148 K HA 0.345 4.665 4.320 -0.000 0.000 0.272 148 K C 0.173 176.537 176.600 -0.394 0.000 1.001 148 K CA -0.319 55.719 56.287 -0.415 0.000 0.915 148 K CB 0.655 32.905 32.500 -0.417 0.000 1.047 148 K HN 0.342 nan 8.250 nan 0.000 0.458 149 S N 0.907 116.278 115.700 -0.548 0.000 2.592 149 S HA 0.317 4.787 4.470 -0.000 0.000 0.271 149 S C -0.556 173.830 174.600 -0.356 0.000 1.326 149 S CA -0.926 56.910 58.200 -0.606 0.000 1.024 149 S CB 0.862 63.403 63.200 -1.098 0.000 0.921 149 S HN 0.298 nan 8.310 nan 0.000 0.527 150 V N 1.957 121.815 119.914 -0.093 0.000 2.604 150 V HA 0.367 4.487 4.120 -0.000 0.000 0.305 150 V C -0.237 175.985 176.094 0.214 0.000 1.043 150 V CA -0.999 61.354 62.300 0.087 0.000 0.888 150 V CB 1.660 33.483 31.823 0.001 0.000 0.995 150 V HN 0.655 nan 8.190 nan 0.000 0.429 151 V N 6.065 126.107 119.914 0.213 0.000 2.439 151 V HA 0.235 4.355 4.120 -0.000 0.000 0.271 151 V C 0.287 176.397 176.094 0.027 0.000 1.040 151 V CA -0.114 62.238 62.300 0.087 0.000 1.002 151 V CB 0.822 32.645 31.823 0.001 0.000 1.000 151 V HN 0.742 nan 8.190 nan 0.000 0.477 152 I N 3.121 123.712 120.570 0.034 0.000 2.428 152 I HA 0.431 4.601 4.170 -0.000 0.000 0.296 152 I C -0.063 176.082 176.117 0.048 0.000 0.985 152 I CA -0.529 60.786 61.300 0.026 0.000 1.260 152 I CB 1.262 39.286 38.000 0.039 0.000 1.389 152 I HN 0.690 nan 8.210 nan 0.000 0.484 153 N N 7.818 126.529 118.700 0.019 0.000 2.411 153 N HA 0.320 5.060 4.740 -0.000 0.000 0.259 153 N C -1.617 173.990 175.510 0.161 0.000 1.103 153 N CA -1.319 51.782 53.050 0.085 0.000 0.954 153 N CB 0.946 39.431 38.487 -0.005 0.000 1.085 153 N HN 0.497 nan 8.380 nan 0.000 0.485 154 P HA -0.103 nan 4.420 nan 0.000 0.231 154 P C -0.006 177.440 177.300 0.244 0.000 1.168 154 P CA 0.261 63.487 63.100 0.210 0.000 0.779 154 P CB -0.003 31.836 31.700 0.232 0.000 0.844 155 Y N 1.881 122.280 120.300 0.166 0.000 2.788 155 Y HA 0.194 4.744 4.550 -0.000 0.000 0.341 155 Y C -0.328 175.698 175.900 0.210 0.000 1.258 155 Y CA 0.392 58.592 58.100 0.167 0.000 1.503 155 Y CB -0.076 38.460 38.460 0.127 0.000 1.325 155 Y HN -0.081 nan 8.280 nan 0.000 0.614 156 F N 4.307 123.707 119.950 -0.917 0.000 2.684 156 F HA 0.207 4.733 4.527 -0.000 0.000 0.329 156 F C -1.499 173.812 175.800 -0.816 0.000 1.094 156 F CA -0.887 56.596 58.000 -0.863 0.000 1.116 156 F CB 0.722 39.349 39.000 -0.622 0.000 1.366 156 F HN 0.552 nan 8.300 nan 0.000 0.567 157 E N 5.702 125.123 120.200 -1.299 0.000 1.944 157 E HA 0.045 4.395 4.350 -0.000 0.000 0.272 157 E C -1.234 174.878 176.600 -0.812 0.000 1.195 157 E CA -0.139 55.805 56.400 -0.760 0.000 0.926 157 E CB 0.322 29.721 29.700 -0.501 0.000 1.051 157 E HN 0.429 nan 8.360 nan 0.000 0.404 158 W N 4.342 125.494 121.300 -0.247 0.000 2.229 158 W HA 0.008 4.668 4.660 -0.000 0.000 0.475 158 W C 0.666 177.147 176.519 -0.063 0.000 0.936 158 W CA -0.637 56.707 57.345 -0.001 0.000 1.783 158 W CB -0.789 28.801 29.460 0.217 0.000 1.760 158 W HN 0.449 nan 8.180 nan 0.000 0.318 159 D N 0.519 120.915 120.400 -0.007 0.000 2.346 159 D HA -0.152 4.488 4.640 -0.000 0.000 0.236 159 D C 1.210 177.548 176.300 0.063 0.000 1.259 159 D CA 0.261 54.254 54.000 -0.012 0.000 0.898 159 D CB 0.895 41.653 40.800 -0.070 0.000 1.178 159 D HN 0.280 nan 8.370 nan 0.000 0.457 160 D N 0.072 120.470 120.400 -0.004 0.000 2.421 160 D HA -0.352 4.288 4.640 -0.000 0.000 0.195 160 D C 1.200 177.449 176.300 -0.084 0.000 1.022 160 D CA 2.481 56.416 54.000 -0.109 0.000 0.871 160 D CB -0.243 40.495 40.800 -0.104 0.000 1.026 160 D HN 0.713 nan 8.370 nan 0.000 0.462 161 E N 0.048 120.274 120.200 0.043 0.000 4.979 161 E HA -0.219 4.131 4.350 -0.000 0.000 0.189 161 E C 0.324 176.970 176.600 0.076 0.000 1.006 161 E CA 2.086 58.597 56.400 0.186 0.000 2.188 161 E CB -1.703 28.238 29.700 0.403 0.000 1.757 161 E HN 0.562 nan 8.360 nan 0.000 0.479 162 D N -0.677 119.701 120.400 -0.037 0.000 2.395 162 D HA 0.094 4.734 4.640 -0.000 0.000 0.226 162 D C 1.358 177.816 176.300 0.264 0.000 1.146 162 D CA -0.024 53.973 54.000 -0.004 0.000 0.830 162 D CB -0.719 40.055 40.800 -0.043 0.000 0.958 162 D HN 0.453 nan 8.370 nan 0.000 0.501 163 F N -0.504 119.427 119.950 -0.032 0.000 2.754 163 F HA 0.237 4.763 4.527 -0.000 0.000 0.316 163 F C 2.081 177.841 175.800 -0.066 0.000 0.959 163 F CA -0.615 57.363 58.000 -0.037 0.000 1.148 163 F CB 0.718 39.711 39.000 -0.012 0.000 0.951 163 F HN -0.146 nan 8.300 nan 0.000 0.625 164 I N 1.490 122.122 120.570 0.103 0.000 2.381 164 I HA -0.247 3.923 4.170 -0.000 0.000 0.255 164 I C 0.340 176.403 176.117 -0.090 0.000 1.140 164 I CA 1.253 62.520 61.300 -0.056 0.000 1.404 164 I CB -0.063 37.820 38.000 -0.195 0.000 1.075 164 I HN -0.128 nan 8.210 nan 0.000 0.433 165 K N 2.148 122.518 120.400 -0.050 0.000 2.263 165 K HA 0.601 4.921 4.320 -0.000 0.000 0.282 165 K C 0.024 176.622 176.600 -0.002 0.000 1.089 165 K CA 0.265 56.517 56.287 -0.059 0.000 0.907 165 K CB 0.349 32.789 32.500 -0.098 0.000 1.148 165 K HN 0.351 nan 8.250 nan 0.000 0.470 166 G N 2.065 110.838 108.800 -0.045 0.000 2.353 166 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.615 166 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.615 166 G C -1.367 173.485 174.900 -0.079 0.000 1.280 166 G CA -0.995 44.066 45.100 -0.065 0.000 1.000 166 G HN 0.627 nan 8.290 nan 0.000 0.516 167 K N 0.105 120.457 120.400 -0.080 0.000 2.154 167 K HA 0.694 5.014 4.320 -0.000 0.000 0.264 167 K C 0.044 176.587 176.600 -0.095 0.000 1.008 167 K CA -0.344 55.891 56.287 -0.086 0.000 0.937 167 K CB 1.547 34.001 32.500 -0.077 0.000 1.002 167 K HN 0.739 nan 8.250 nan 0.000 0.469 168 K N 0.595 120.930 120.400 -0.107 0.000 2.047 168 K HA 0.285 4.605 4.320 -0.000 0.000 0.244 168 K C -0.611 175.926 176.600 -0.106 0.000 1.048 168 K CA -1.102 55.115 56.287 -0.116 0.000 0.871 168 K CB 0.678 33.090 32.500 -0.146 0.000 1.445 168 K HN 0.276 nan 8.250 nan 0.000 0.514 169 V N 3.930 123.783 119.914 -0.102 0.000 2.400 169 V HA 0.053 4.173 4.120 -0.000 0.000 0.263 169 V C -1.973 174.049 176.094 -0.120 0.000 1.026 169 V CA -0.960 61.284 62.300 -0.094 0.000 1.077 169 V CB -0.841 30.939 31.823 -0.073 0.000 1.054 169 V HN 0.560 nan 8.190 nan 0.000 0.477 170 P HA 0.115 nan 4.420 nan 0.000 0.271 170 P C 1.136 178.282 177.300 -0.255 0.000 1.216 170 P CA -0.263 62.714 63.100 -0.206 0.000 0.776 170 P CB 1.345 32.919 31.700 -0.210 0.000 0.881 171 L N 1.681 122.687 121.223 -0.361 0.000 2.189 171 L HA -0.221 4.119 4.340 -0.000 0.000 0.214 171 L C 2.542 179.175 176.870 -0.395 0.000 1.097 171 L CA 1.658 56.278 54.840 -0.367 0.000 0.764 171 L CB -0.385 41.413 42.059 -0.436 0.000 0.900 171 L HN 0.548 nan 8.230 nan 0.000 0.436 172 K N -0.242 119.830 120.400 -0.547 0.000 2.103 172 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 172 K C 0.707 177.258 176.600 -0.083 0.000 1.048 172 K CA 1.644 57.734 56.287 -0.328 0.000 0.930 172 K CB 0.138 32.463 32.500 -0.293 0.000 0.716 172 K HN 0.401 nan 8.250 nan 0.000 0.444 173 D N 0.055 120.408 120.400 -0.079 0.000 2.479 173 D HA 0.045 4.685 4.640 -0.000 0.000 0.218 173 D C -0.235 176.114 176.300 0.081 0.000 1.177 173 D CA 0.052 54.053 54.000 0.001 0.000 0.830 173 D CB 0.829 41.600 40.800 -0.049 0.000 1.014 173 D HN 0.056 nan 8.370 nan 0.000 0.503 174 T N 0.775 115.359 114.554 0.049 0.000 2.898 174 T HA 0.311 4.661 4.350 -0.000 0.000 0.301 174 T C 0.296 175.040 174.700 0.073 0.000 1.049 174 T CA -0.038 62.082 62.100 0.033 0.000 1.095 174 T CB 2.145 71.001 68.868 -0.018 0.000 0.976 174 T HN -0.236 nan 8.240 nan 0.000 0.539 175 V N 3.259 123.191 119.914 0.030 0.000 2.567 175 V HA 0.372 4.492 4.120 -0.000 0.000 0.298 175 V C -0.343 175.754 176.094 0.006 0.000 1.047 175 V CA -0.714 61.582 62.300 -0.008 0.000 0.880 175 V CB 1.469 33.289 31.823 -0.004 0.000 1.009 175 V HN 0.752 nan 8.190 nan 0.000 0.429 176 I N 4.655 125.218 120.570 -0.011 0.000 2.385 176 I HA 0.384 4.554 4.170 -0.000 0.000 0.294 176 I C -1.040 175.120 176.117 0.073 0.000 0.988 176 I CA -0.640 60.664 61.300 0.007 0.000 1.265 176 I CB 1.326 39.293 38.000 -0.054 0.000 1.388 176 I HN 0.625 nan 8.210 nan 0.000 0.480 177 Y N 5.976 126.243 120.300 -0.054 0.000 2.555 177 Y HA 0.241 4.791 4.550 -0.000 0.000 0.326 177 Y C 0.085 175.955 175.900 -0.049 0.000 0.984 177 Y CA -0.792 57.288 58.100 -0.034 0.000 1.298 177 Y CB 0.866 39.314 38.460 -0.020 0.000 1.094 177 Y HN 0.530 nan 8.280 nan 0.000 0.500 178 E N 4.973 124.995 120.200 -0.298 0.000 2.265 178 E HA 0.448 4.798 4.350 -0.000 0.000 0.272 178 E C -1.270 175.133 176.600 -0.328 0.000 1.067 178 E CA -0.170 56.090 56.400 -0.233 0.000 0.900 178 E CB 0.461 30.086 29.700 -0.125 0.000 1.017 178 E HN 0.449 nan 8.360 nan 0.000 0.431 179 V N 3.808 123.563 119.914 -0.265 0.000 2.914 179 V HA 0.230 4.350 4.120 -0.000 0.000 0.314 179 V C -0.360 175.634 176.094 -0.168 0.000 1.084 179 V CA -1.043 61.093 62.300 -0.274 0.000 0.963 179 V CB 1.746 33.286 31.823 -0.470 0.000 1.025 179 V HN 0.670 nan 8.190 nan 0.000 0.432 180 H N 2.017 120.973 119.070 -0.191 0.000 2.673 180 H HA 0.375 4.931 4.556 -0.000 0.000 0.293 180 H C 0.726 175.942 175.328 -0.187 0.000 1.065 180 H CA -0.224 55.723 56.048 -0.167 0.000 1.236 180 H CB 1.619 31.347 29.762 -0.057 0.000 1.389 180 H HN 0.445 nan 8.280 nan 0.000 0.481 181 V N 4.955 124.731 119.914 -0.231 0.000 2.311 181 V HA -0.401 3.719 4.120 -0.000 0.000 0.259 181 V C 2.529 178.595 176.094 -0.047 0.000 1.086 181 V CA 2.625 64.820 62.300 -0.175 0.000 1.078 181 V CB -0.448 31.133 31.823 -0.404 0.000 0.668 181 V HN 0.518 nan 8.190 nan 0.000 0.452 182 K N 0.831 121.286 120.400 0.090 0.000 1.967 182 K HA -0.037 4.283 4.320 -0.000 0.000 0.212 182 K C 2.170 178.823 176.600 0.089 0.000 1.044 182 K CA 1.852 58.244 56.287 0.175 0.000 0.942 182 K CB -1.248 31.569 32.500 0.527 0.000 0.726 182 K HN 0.345 nan 8.250 nan 0.000 0.440 183 G N -0.095 108.851 108.800 0.242 0.000 2.450 183 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 183 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 183 G C 1.421 176.286 174.900 -0.059 0.000 1.130 183 G CA 0.745 45.999 45.100 0.257 0.000 0.760 183 G HN 0.356 nan 8.290 nan 0.000 0.557 184 F N 2.689 122.368 119.950 -0.452 0.000 2.120 184 F HA -0.115 4.412 4.527 -0.000 0.000 0.300 184 F C 2.464 178.228 175.800 -0.060 0.000 1.095 184 F CA 2.163 59.755 58.000 -0.681 0.000 1.249 184 F CB -0.242 38.550 39.000 -0.347 0.000 0.995 184 F HN 0.243 nan 8.300 nan 0.000 0.480 185 T N -4.026 110.476 114.554 -0.086 0.000 3.192 185 T HA 0.169 4.519 4.350 -0.000 0.000 0.295 185 T C 1.314 175.937 174.700 -0.129 0.000 0.947 185 T CA 0.136 62.153 62.100 -0.138 0.000 0.916 185 T CB 0.116 68.857 68.868 -0.213 0.000 1.169 185 T HN 0.086 nan 8.240 nan 0.000 0.540 186 K N 1.702 121.979 120.400 -0.206 0.000 1.971 186 K HA 0.004 4.324 4.320 -0.000 0.000 0.221 186 K C 1.149 177.579 176.600 -0.284 0.000 1.050 186 K CA 1.360 57.402 56.287 -0.410 0.000 0.967 186 K CB -0.758 31.129 32.500 -1.021 0.000 0.733 186 K HN 0.249 nan 8.250 nan 0.000 0.445 187 L N 2.212 123.320 121.223 -0.192 0.000 2.930 187 L HA 0.124 4.464 4.340 -0.000 0.000 0.250 187 L C -0.103 176.880 176.870 0.188 0.000 1.320 187 L CA 0.732 55.577 54.840 0.008 0.000 1.163 187 L CB -0.639 41.489 42.059 0.115 0.000 1.542 187 L HN 0.174 nan 8.230 nan 0.000 0.428 188 R N 1.333 121.848 120.500 0.026 0.000 3.050 188 R HA 0.225 4.565 4.340 -0.000 0.000 0.275 188 R C -0.080 176.134 176.300 -0.143 0.000 1.373 188 R CA -0.605 55.416 56.100 -0.131 0.000 1.612 188 R CB 0.356 30.473 30.300 -0.305 0.000 1.218 188 R HN 0.104 nan 8.270 nan 0.000 0.621 189 L N -0.611 120.566 121.223 -0.077 0.000 2.930 189 L HA 0.214 4.553 4.340 -0.000 0.000 0.250 189 L C 0.941 177.750 176.870 -0.102 0.000 1.320 189 L CA 0.077 54.874 54.840 -0.071 0.000 1.163 189 L CB -0.800 41.244 42.059 -0.025 0.000 1.542 189 L HN 0.044 nan 8.230 nan 0.000 0.428 190 D N 0.711 121.006 120.400 -0.175 0.000 2.092 190 D HA 0.037 4.677 4.640 -0.000 0.000 0.203 190 D C 0.992 177.212 176.300 -0.133 0.000 0.978 190 D CA 1.054 54.952 54.000 -0.171 0.000 0.861 190 D CB 0.163 40.813 40.800 -0.250 0.000 1.005 190 D HN 0.412 nan 8.370 nan 0.000 0.450 191 L N 1.704 122.836 121.223 -0.153 0.000 2.476 191 L HA 0.217 4.556 4.340 -0.000 0.000 0.264 191 L C -1.945 174.874 176.870 -0.086 0.000 1.224 191 L CA -1.518 53.254 54.840 -0.115 0.000 0.821 191 L CB -0.745 41.240 42.059 -0.124 0.000 1.101 191 L HN 0.047 nan 8.230 nan 0.000 0.488 192 P HA -0.013 nan 4.420 nan 0.000 0.262 192 P C -0.644 176.622 177.300 -0.057 0.000 1.182 192 P CA -0.186 62.882 63.100 -0.052 0.000 0.761 192 P CB 0.305 31.980 31.700 -0.042 0.000 0.795 193 E N 3.159 123.328 120.200 -0.051 0.000 2.569 193 E HA -0.090 4.260 4.350 -0.000 0.000 0.258 193 E C 0.981 177.560 176.600 -0.035 0.000 1.390 193 E CA -0.336 56.036 56.400 -0.046 0.000 1.049 193 E CB -0.393 29.284 29.700 -0.039 0.000 1.009 193 E HN 0.593 nan 8.360 nan 0.000 0.580 194 N N -0.341 118.342 118.700 -0.028 0.000 2.650 194 N HA -0.294 4.446 4.740 -0.000 0.000 0.249 194 N C 0.446 175.940 175.510 -0.027 0.000 1.155 194 N CA 1.540 54.576 53.050 -0.024 0.000 0.747 194 N CB -1.623 36.853 38.487 -0.019 0.000 1.132 194 N HN 0.810 nan 8.380 nan 0.000 0.564 195 I N -5.310 115.237 120.570 -0.038 0.000 4.387 195 I HA 0.308 4.478 4.170 -0.000 0.000 0.374 195 I C -0.310 175.771 176.117 -0.059 0.000 1.196 195 I CA -0.598 60.678 61.300 -0.040 0.000 1.221 195 I CB 0.389 38.366 38.000 -0.039 0.000 2.146 195 I HN -0.085 nan 8.210 nan 0.000 0.711 196 R N 1.788 122.246 120.500 -0.072 0.000 2.202 196 R HA 0.649 4.989 4.340 -0.000 0.000 0.334 196 R C 0.896 177.133 176.300 -0.105 0.000 1.036 196 R CA 0.761 56.799 56.100 -0.102 0.000 0.878 196 R CB 1.313 31.541 30.300 -0.120 0.000 1.067 196 R HN 0.489 nan 8.270 nan 0.000 0.457 197 G N 1.961 110.703 108.800 -0.098 0.000 2.142 197 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.225 197 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.225 197 G C -0.014 174.863 174.900 -0.038 0.000 1.015 197 G CA 0.309 45.367 45.100 -0.071 0.000 0.716 197 G HN 0.716 nan 8.290 nan 0.000 0.508 198 T N -3.590 110.935 114.554 -0.048 0.000 2.916 198 T HA 0.652 5.002 4.350 -0.000 0.000 0.292 198 T C 1.052 175.748 174.700 -0.006 0.000 1.055 198 T CA -0.194 61.855 62.100 -0.086 0.000 1.009 198 T CB 1.595 70.425 68.868 -0.063 0.000 1.118 198 T HN 0.195 nan 8.240 nan 0.000 0.497 199 Y N 0.282 120.630 120.300 0.080 0.000 2.062 199 Y HA -0.275 4.275 4.550 -0.000 0.000 0.276 199 Y C 2.818 178.714 175.900 -0.007 0.000 1.189 199 Y CA 1.808 59.930 58.100 0.037 0.000 1.130 199 Y CB -0.176 38.337 38.460 0.087 0.000 0.959 199 Y HN 0.864 nan 8.280 nan 0.000 0.499 200 E N 0.375 120.668 120.200 0.155 0.000 2.058 200 E HA -0.183 4.166 4.350 -0.000 0.000 0.194 200 E C 2.530 179.151 176.600 0.035 0.000 0.997 200 E CA 1.196 57.637 56.400 0.068 0.000 0.801 200 E CB -0.540 29.186 29.700 0.044 0.000 0.746 200 E HN 0.459 nan 8.360 nan 0.000 0.450 201 G N 1.790 110.602 108.800 0.019 0.000 2.469 201 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.219 201 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.219 201 G C 1.596 176.501 174.900 0.009 0.000 1.150 201 G CA 0.887 45.977 45.100 -0.017 0.000 0.763 201 G HN 0.369 nan 8.290 nan 0.000 0.561 202 L N 0.376 121.653 121.223 0.091 0.000 2.261 202 L HA 0.068 4.408 4.340 -0.000 0.000 0.216 202 L C 2.596 179.564 176.870 0.164 0.000 1.114 202 L CA 1.408 56.379 54.840 0.218 0.000 0.777 202 L CB -0.038 42.159 42.059 0.230 0.000 0.910 202 L HN 0.281 nan 8.230 nan 0.000 0.440 203 A N -1.355 121.509 122.820 0.074 0.000 2.430 203 A HA 0.208 4.528 4.320 -0.000 0.000 0.243 203 A C 0.977 178.574 177.584 0.022 0.000 1.254 203 A CA 0.295 52.357 52.037 0.042 0.000 0.914 203 A CB -0.222 18.778 19.000 0.001 0.000 0.998 203 A HN 0.461 nan 8.150 nan 0.000 0.515 204 S N -0.300 115.404 115.700 0.005 0.000 2.573 204 S HA 0.102 4.572 4.470 -0.000 0.000 0.277 204 S C 0.651 175.240 174.600 -0.017 0.000 1.346 204 S CA 0.213 58.400 58.200 -0.022 0.000 1.034 204 S CB 0.809 63.974 63.200 -0.059 0.000 0.879 204 S HN 0.441 nan 8.310 nan 0.000 0.528 205 E N 1.117 121.304 120.200 -0.022 0.000 2.160 205 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 205 E C 2.029 178.617 176.600 -0.021 0.000 0.991 205 E CA 1.508 57.901 56.400 -0.013 0.000 0.810 205 E CB -0.146 29.544 29.700 -0.017 0.000 0.742 205 E HN 0.733 nan 8.360 nan 0.000 0.466 206 Q N -0.624 119.142 119.800 -0.058 0.000 2.124 206 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 206 Q C 1.866 177.818 176.000 -0.079 0.000 0.977 206 Q CA 1.248 56.996 55.803 -0.091 0.000 0.850 206 Q CB 0.060 28.699 28.738 -0.165 0.000 0.901 206 Q HN 0.252 nan 8.270 nan 0.000 0.429 207 M N -0.681 118.879 119.600 -0.066 0.000 2.325 207 M HA 0.010 4.490 4.480 -0.000 0.000 0.265 207 M C 1.924 178.328 176.300 0.173 0.000 1.094 207 M CA 0.770 56.076 55.300 0.011 0.000 1.161 207 M CB -0.582 32.011 32.600 -0.011 0.000 1.358 207 M HN 0.155 nan 8.290 nan 0.000 0.446 208 I N 0.777 121.413 120.570 0.110 0.000 2.087 208 I HA -0.299 3.871 4.170 -0.000 0.000 0.240 208 I C 2.439 178.605 176.117 0.081 0.000 1.054 208 I CA 1.524 62.881 61.300 0.094 0.000 1.311 208 I CB -1.737 36.295 38.000 0.055 0.000 1.024 208 I HN 0.246 nan 8.210 nan 0.000 0.402 209 S N 0.181 115.918 115.700 0.062 0.000 2.369 209 S HA -0.288 4.182 4.470 -0.000 0.000 0.225 209 S C 2.006 176.649 174.600 0.072 0.000 1.043 209 S CA 1.810 60.039 58.200 0.048 0.000 1.074 209 S CB -0.931 62.288 63.200 0.033 0.000 0.962 209 S HN 0.489 nan 8.310 nan 0.000 0.433 210 Y N 2.122 122.417 120.300 -0.009 0.000 2.102 210 Y HA -0.206 4.343 4.550 -0.000 0.000 0.280 210 Y C 2.000 177.921 175.900 0.035 0.000 1.178 210 Y CA 1.531 59.643 58.100 0.021 0.000 1.146 210 Y CB -0.480 37.992 38.460 0.021 0.000 0.968 210 Y HN 0.160 nan 8.280 nan 0.000 0.504 211 L N -0.241 121.036 121.223 0.090 0.000 2.201 211 L HA -0.195 4.144 4.340 -0.000 0.000 0.212 211 L C 2.360 179.157 176.870 -0.123 0.000 1.105 211 L CA 1.078 55.885 54.840 -0.055 0.000 0.775 211 L CB -0.437 41.655 42.059 0.054 0.000 0.913 211 L HN 0.189 nan 8.230 nan 0.000 0.440 212 K N -0.130 120.231 120.400 -0.065 0.000 2.044 212 K HA -0.090 4.230 4.320 -0.000 0.000 0.204 212 K C 1.605 178.151 176.600 -0.091 0.000 1.049 212 K CA 0.945 57.196 56.287 -0.061 0.000 0.945 212 K CB -0.451 32.035 32.500 -0.024 0.000 0.724 212 K HN 0.202 nan 8.250 nan 0.000 0.440 213 D N 1.535 121.871 120.400 -0.107 0.000 2.137 213 D HA -0.207 4.433 4.640 -0.000 0.000 0.189 213 D C 1.928 178.124 176.300 -0.174 0.000 0.998 213 D CA 0.979 54.904 54.000 -0.125 0.000 0.839 213 D CB -0.470 40.254 40.800 -0.127 0.000 0.962 213 D HN -0.015 nan 8.370 nan 0.000 0.446 214 L N -0.195 120.846 121.223 -0.303 0.000 2.042 214 L HA -0.035 4.305 4.340 -0.000 0.000 0.210 214 L C 1.620 178.386 176.870 -0.173 0.000 1.076 214 L CA 2.430 57.094 54.840 -0.292 0.000 0.749 214 L CB -0.643 41.142 42.059 -0.457 0.000 0.893 214 L HN 0.384 nan 8.230 nan 0.000 0.432 215 G N -1.319 107.388 108.800 -0.154 0.000 2.131 215 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.201 215 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.201 215 G C 0.258 175.118 174.900 -0.065 0.000 1.000 215 G CA 0.069 45.117 45.100 -0.086 0.000 0.680 215 G HN 0.680 nan 8.290 nan 0.000 0.514 216 I N -0.825 119.682 120.570 -0.104 0.000 2.779 216 I HA 0.698 4.868 4.170 -0.000 0.000 0.285 216 I C 1.440 177.535 176.117 -0.038 0.000 1.134 216 I CA 0.484 61.745 61.300 -0.064 0.000 1.398 216 I CB 0.903 38.840 38.000 -0.104 0.000 1.404 216 I HN 0.237 nan 8.210 nan 0.000 0.587 217 T N -0.157 114.393 114.554 -0.008 0.000 3.033 217 T HA 0.188 4.538 4.350 -0.000 0.000 0.248 217 T C 0.805 175.502 174.700 -0.005 0.000 1.040 217 T CA 0.732 62.828 62.100 -0.007 0.000 1.133 217 T CB -0.428 68.439 68.868 -0.002 0.000 0.895 217 T HN 0.989 nan 8.240 nan 0.000 0.465 218 T N 0.842 115.399 114.554 0.006 0.000 2.952 218 T HA 0.645 4.995 4.350 -0.000 0.000 0.305 218 T C -0.674 174.047 174.700 0.035 0.000 1.064 218 T CA -0.638 61.467 62.100 0.008 0.000 1.008 218 T CB 1.880 70.739 68.868 -0.014 0.000 1.078 218 T HN 0.602 nan 8.240 nan 0.000 0.459 219 V N 0.806 120.735 119.914 0.026 0.000 2.481 219 V HA 0.682 4.802 4.120 -0.000 0.000 0.286 219 V C 0.028 176.107 176.094 -0.025 0.000 1.042 219 V CA -0.702 61.619 62.300 0.035 0.000 0.928 219 V CB 1.300 33.127 31.823 0.007 0.000 0.986 219 V HN 1.107 nan 8.190 nan 0.000 0.462 220 E N 3.842 124.017 120.200 -0.042 0.000 2.102 220 E HA 0.429 4.779 4.350 -0.000 0.000 0.263 220 E C -1.380 175.144 176.600 -0.127 0.000 0.894 220 E CA -0.889 55.464 56.400 -0.080 0.000 0.746 220 E CB 1.322 30.995 29.700 -0.045 0.000 1.129 220 E HN 0.699 nan 8.360 nan 0.000 0.416 221 L N 4.352 125.487 121.223 -0.146 0.000 2.380 221 L HA 0.205 4.545 4.340 -0.000 0.000 0.273 221 L C 0.851 177.570 176.870 -0.251 0.000 1.138 221 L CA 0.261 54.990 54.840 -0.184 0.000 0.832 221 L CB 0.292 42.277 42.059 -0.124 0.000 1.124 221 L HN 0.610 nan 8.230 nan 0.000 0.454 222 M N 3.446 122.848 119.600 -0.329 0.000 2.243 222 M HA 0.040 4.520 4.480 -0.000 0.000 0.309 222 M C -1.872 174.173 176.300 -0.426 0.000 1.050 222 M CA -1.189 53.834 55.300 -0.462 0.000 1.139 222 M CB -0.671 31.592 32.600 -0.561 0.000 1.457 222 M HN 0.321 nan 8.290 nan 0.000 0.440 223 P HA -0.075 nan 4.420 nan 0.000 0.259 223 P C 0.492 177.768 177.300 -0.040 0.000 1.155 223 P CA 0.406 63.254 63.100 -0.420 0.000 0.759 223 P CB 0.047 31.404 31.700 -0.571 0.000 0.753 224 V N 0.600 120.534 119.914 0.034 0.000 3.380 224 V HA 0.287 4.407 4.120 -0.000 0.000 0.307 224 V C 0.294 176.621 176.094 0.389 0.000 1.434 224 V CA -0.085 62.399 62.300 0.307 0.000 1.075 224 V CB -0.868 31.126 31.823 0.285 0.000 0.954 224 V HN 0.100 nan 8.190 nan 0.000 0.444 225 F N 2.607 122.561 119.950 0.007 0.000 2.541 225 F HA 0.306 4.833 4.527 -0.000 0.000 0.378 225 F C 1.196 177.090 175.800 0.156 0.000 1.068 225 F CA -0.819 57.242 58.000 0.103 0.000 1.199 225 F CB -0.701 38.331 39.000 0.053 0.000 1.091 225 F HN 0.258 nan 8.300 nan 0.000 0.555 226 H N 5.557 124.696 119.070 0.115 0.000 3.223 226 H HA -0.080 4.475 4.556 -0.000 0.000 0.287 226 H C -0.576 174.738 175.328 -0.024 0.000 0.910 226 H CA 0.759 56.740 56.048 -0.113 0.000 1.406 226 H CB -0.060 29.634 29.762 -0.113 0.000 1.377 226 H HN 0.496 nan 8.280 nan 0.000 0.556 227 F N 3.719 123.633 119.950 -0.061 0.000 2.640 227 F HA 0.651 5.178 4.527 -0.000 0.000 0.324 227 F C -1.075 174.717 175.800 -0.014 0.000 1.077 227 F CA -1.537 56.486 58.000 0.037 0.000 0.965 227 F CB 0.746 39.775 39.000 0.049 0.000 1.351 227 F HN 0.177 nan 8.300 nan 0.000 0.487 228 I N 0.740 121.540 120.570 0.383 0.000 2.693 228 I HA 0.312 4.482 4.170 -0.000 0.000 0.303 228 I C -0.964 175.348 176.117 0.326 0.000 1.025 228 I CA -1.071 60.367 61.300 0.229 0.000 1.086 228 I CB 1.670 39.721 38.000 0.084 0.000 1.268 228 I HN 0.443 nan 8.210 nan 0.000 0.440 229 D N 4.905 125.463 120.400 0.263 0.000 2.338 229 D HA 0.120 4.760 4.640 -0.000 0.000 0.255 229 D C -0.250 176.304 176.300 0.424 0.000 1.237 229 D CA -0.101 54.071 54.000 0.286 0.000 0.883 229 D CB 0.761 41.704 40.800 0.238 0.000 1.087 229 D HN 0.446 nan 8.370 nan 0.000 0.485 230 Q N 1.227 121.143 119.800 0.194 0.000 2.310 230 Q HA -0.090 4.249 4.340 -0.000 0.000 0.315 230 Q C 1.450 177.323 176.000 -0.213 0.000 1.081 230 Q CA 0.413 56.203 55.803 -0.022 0.000 0.981 230 Q CB 0.992 29.409 28.738 -0.536 0.000 1.184 230 Q HN 0.379 nan 8.270 nan 0.000 0.389 231 R N 2.300 122.514 120.500 -0.478 0.000 2.115 231 R HA -0.157 4.183 4.340 -0.000 0.000 0.230 231 R C 1.476 177.552 176.300 -0.372 0.000 1.111 231 R CA 1.368 56.924 56.100 -0.906 0.000 0.976 231 R CB -0.125 29.246 30.300 -1.548 0.000 0.870 231 R HN 0.795 nan 8.270 nan 0.000 0.445 232 F N -0.927 118.942 119.950 -0.135 0.000 2.722 232 F HA 0.049 4.576 4.527 -0.000 0.000 0.298 232 F C 0.980 176.823 175.800 0.071 0.000 1.175 232 F CA 0.191 58.182 58.000 -0.014 0.000 1.462 232 F CB -0.077 38.956 39.000 0.056 0.000 1.111 232 F HN -0.018 nan 8.300 nan 0.000 0.592 233 L N 0.317 121.317 121.223 -0.372 0.000 2.286 233 L HA 0.078 4.418 4.340 -0.000 0.000 0.203 233 L C 2.367 179.200 176.870 -0.062 0.000 1.068 233 L CA 1.386 56.133 54.840 -0.155 0.000 0.811 233 L CB -1.341 40.593 42.059 -0.209 0.000 0.989 233 L HN 0.139 nan 8.230 nan 0.000 0.467 234 T N -0.167 114.363 114.554 -0.039 0.000 2.720 234 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 234 T C 0.658 175.362 174.700 0.006 0.000 1.037 234 T CA 1.498 63.625 62.100 0.044 0.000 1.144 234 T CB -0.291 68.686 68.868 0.182 0.000 0.864 234 T HN 0.227 nan 8.240 nan 0.000 0.444 235 D N 1.271 121.652 120.400 -0.031 0.000 2.663 235 D HA 0.154 4.794 4.640 -0.000 0.000 0.243 235 D C 0.807 177.090 176.300 -0.028 0.000 1.218 235 D CA 0.344 54.328 54.000 -0.026 0.000 0.846 235 D CB 0.064 40.841 40.800 -0.039 0.000 1.014 235 D HN 0.414 nan 8.370 nan 0.000 0.476 236 K N -1.243 119.135 120.400 -0.038 0.000 2.586 236 K HA 0.230 4.550 4.320 -0.000 0.000 0.198 236 K C 0.875 177.433 176.600 -0.070 0.000 1.170 236 K CA -0.068 56.178 56.287 -0.069 0.000 1.069 236 K CB 1.665 34.100 32.500 -0.109 0.000 0.944 236 K HN 0.045 nan 8.250 nan 0.000 0.572 237 G N 1.816 110.591 108.800 -0.043 0.000 2.153 237 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.252 237 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.252 237 G C -0.039 174.831 174.900 -0.050 0.000 0.994 237 G CA 0.440 45.516 45.100 -0.038 0.000 0.698 237 G HN 0.158 nan 8.290 nan 0.000 0.521 238 L N -0.375 120.817 121.223 -0.053 0.000 2.298 238 L HA 0.919 5.259 4.340 -0.000 0.000 0.268 238 L C 0.835 177.685 176.870 -0.033 0.000 1.010 238 L CA -0.337 54.457 54.840 -0.077 0.000 0.812 238 L CB 2.251 44.239 42.059 -0.118 0.000 1.331 238 L HN 0.417 nan 8.230 nan 0.000 0.450 239 T N -2.973 111.557 114.554 -0.039 0.000 2.812 239 T HA 0.318 4.667 4.350 -0.000 0.000 0.294 239 T C -0.805 173.917 174.700 0.037 0.000 1.159 239 T CA -0.826 61.297 62.100 0.039 0.000 1.008 239 T CB 1.639 70.566 68.868 0.099 0.000 1.289 239 T HN 0.364 nan 8.240 nan 0.000 0.514 240 N N 0.948 119.724 118.700 0.126 0.000 2.415 240 N HA 0.177 4.917 4.740 -0.000 0.000 0.246 240 N C -0.130 175.488 175.510 0.180 0.000 1.078 240 N CA -0.489 52.640 53.050 0.132 0.000 0.942 240 N CB 0.388 38.936 38.487 0.101 0.000 1.140 240 N HN 0.734 nan 8.380 nan 0.000 0.501 241 Y N 4.580 124.905 120.300 0.043 0.000 2.231 241 Y HA 0.059 4.609 4.550 -0.000 0.000 0.294 241 Y C 1.141 177.350 175.900 0.515 0.000 1.120 241 Y CA 1.261 59.482 58.100 0.202 0.000 1.141 241 Y CB -0.111 38.355 38.460 0.011 0.000 1.022 241 Y HN 0.494 nan 8.280 nan 0.000 0.523 242 W N 0.340 121.728 121.300 0.146 0.000 2.418 242 W HA 0.202 4.862 4.660 -0.000 0.000 0.292 242 W C 1.959 178.224 176.519 -0.424 0.000 1.213 242 W CA 1.735 59.081 57.345 0.001 0.000 1.283 242 W CB -1.221 28.467 29.460 0.381 0.000 1.119 242 W HN 0.328 nan 8.180 nan 0.000 0.542 243 G N -1.030 107.534 108.800 -0.393 0.000 2.149 243 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.235 243 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.235 243 G C -0.233 174.302 174.900 -0.608 0.000 1.018 243 G CA -0.219 44.018 45.100 -1.438 0.000 0.728 243 G HN 0.322 nan 8.290 nan 0.000 0.508 244 Y N 0.733 120.998 120.300 -0.058 0.000 2.889 244 Y HA 0.437 4.987 4.550 -0.000 0.000 0.367 244 Y C 0.829 176.849 175.900 0.201 0.000 1.197 244 Y CA 0.422 58.577 58.100 0.092 0.000 1.993 244 Y CB 0.333 38.922 38.460 0.215 0.000 2.112 244 Y HN 0.255 nan 8.280 nan 0.000 0.413 245 D N 0.537 121.075 120.400 0.229 0.000 3.198 245 D HA 0.078 4.718 4.640 -0.000 0.000 0.237 245 D C -2.942 173.539 176.300 0.301 0.000 1.468 245 D CA -0.777 53.422 54.000 0.332 0.000 0.948 245 D CB 1.058 42.075 40.800 0.361 0.000 1.479 245 D HN 0.005 nan 8.370 nan 0.000 0.611 246 P HA 0.407 nan 4.420 nan 0.000 0.283 246 P C 0.072 177.476 177.300 0.175 0.000 1.278 246 P CA -0.646 62.619 63.100 0.274 0.000 0.834 246 P CB 1.572 33.457 31.700 0.309 0.000 1.150 247 I N -2.811 117.833 120.570 0.123 0.000 4.240 247 I HA 0.442 4.612 4.170 -0.000 0.000 0.331 247 I C 0.050 176.111 176.117 -0.094 0.000 1.381 247 I CA -0.634 60.715 61.300 0.081 0.000 1.136 247 I CB -1.166 36.859 38.000 0.042 0.000 1.137 247 I HN 0.204 nan 8.210 nan 0.000 0.411 248 N N -0.169 118.432 118.700 -0.165 0.000 2.324 248 N HA 0.485 5.225 4.740 -0.000 0.000 0.285 248 N C -0.712 174.689 175.510 -0.182 0.000 1.076 248 N CA -0.473 52.454 53.050 -0.205 0.000 0.864 248 N CB 1.414 39.821 38.487 -0.133 0.000 1.632 248 N HN -0.096 nan 8.380 nan 0.000 0.478 249 F N 1.634 121.642 119.950 0.096 0.000 2.678 249 F HA 0.412 4.939 4.527 -0.000 0.000 0.305 249 F C 0.330 175.716 175.800 -0.690 0.000 1.090 249 F CA -0.185 57.618 58.000 -0.329 0.000 1.272 249 F CB 0.022 39.024 39.000 0.003 0.000 1.060 249 F HN 0.449 nan 8.300 nan 0.000 0.576 250 F N -1.012 118.832 119.950 -0.176 0.000 2.667 250 F HA 0.179 4.705 4.527 -0.000 0.000 0.288 250 F C 1.144 176.794 175.800 -0.249 0.000 1.086 250 F CA -0.174 57.677 58.000 -0.249 0.000 1.297 250 F CB -0.242 38.482 39.000 -0.460 0.000 1.059 250 F HN -0.281 nan 8.300 nan 0.000 0.624 251 S N 2.673 118.387 115.700 0.022 0.000 2.462 251 S HA 0.530 5.000 4.470 -0.000 0.000 0.294 251 S C -2.833 171.849 174.600 0.136 0.000 1.144 251 S CA -1.639 56.566 58.200 0.009 0.000 1.088 251 S CB 1.450 64.627 63.200 -0.038 0.000 1.009 251 S HN -0.158 nan 8.310 nan 0.000 0.484 252 P HA 0.221 nan 4.420 nan 0.000 0.277 252 P C -0.303 177.145 177.300 0.246 0.000 1.240 252 P CA -0.392 62.859 63.100 0.250 0.000 0.798 252 P CB 0.492 32.222 31.700 0.050 0.000 0.979 253 E N 1.055 121.370 120.200 0.191 0.000 2.558 253 E HA -0.077 4.273 4.350 -0.000 0.000 0.255 253 E C 1.217 177.715 176.600 -0.171 0.000 0.968 253 E CA 0.156 56.405 56.400 -0.253 0.000 0.939 253 E CB 0.306 29.653 29.700 -0.588 0.000 0.921 253 E HN 0.489 nan 8.360 nan 0.000 0.477 254 c N 5.723 124.147 118.600 -0.294 0.000 2.425 254 c HA -0.074 4.496 4.570 -0.000 0.000 0.277 254 c C 2.336 176.282 174.090 -0.241 0.000 1.280 254 c CA 1.150 57.391 56.329 -0.146 0.000 1.744 254 c CB -0.637 41.830 42.510 -0.072 0.000 1.989 254 c HN 0.816 nan 8.230 nan 0.000 0.491 255 R N -1.496 118.736 120.500 -0.446 0.000 2.339 255 R HA -0.038 4.302 4.340 -0.000 0.000 0.199 255 R C 0.562 176.707 176.300 -0.258 0.000 1.018 255 R CA 1.116 56.999 56.100 -0.361 0.000 1.036 255 R CB -0.531 29.515 30.300 -0.423 0.000 0.899 255 R HN 0.571 nan 8.270 nan 0.000 0.473 256 Y N 0.149 120.273 120.300 -0.293 0.000 2.507 256 Y HA 0.316 4.866 4.550 -0.000 0.000 0.254 256 Y C 0.261 175.716 175.900 -0.741 0.000 1.171 256 Y CA -1.124 56.664 58.100 -0.520 0.000 1.238 256 Y CB 0.522 38.550 38.460 -0.721 0.000 1.148 256 Y HN -0.004 nan 8.280 nan 0.000 0.525 257 S N 0.063 115.600 115.700 -0.270 0.000 2.437 257 S HA 0.302 4.772 4.470 -0.000 0.000 0.305 257 S C 1.200 175.769 174.600 -0.051 0.000 1.109 257 S CA 0.021 58.139 58.200 -0.135 0.000 1.099 257 S CB 0.851 64.060 63.200 0.015 0.000 1.004 257 S HN 0.341 nan 8.310 nan 0.000 0.475 258 S N 2.850 118.542 115.700 -0.013 0.000 2.414 258 S HA -0.059 4.411 4.470 -0.000 0.000 0.227 258 S C 1.182 175.785 174.600 0.005 0.000 1.022 258 S CA 0.970 59.167 58.200 -0.005 0.000 0.958 258 S CB -0.806 62.397 63.200 0.005 0.000 0.797 258 S HN 0.856 nan 8.310 nan 0.000 0.493 259 T N -0.284 114.284 114.554 0.023 0.000 3.268 259 T HA 0.603 4.953 4.350 -0.000 0.000 0.244 259 T C 1.124 175.832 174.700 0.013 0.000 0.915 259 T CA -0.069 62.042 62.100 0.018 0.000 0.935 259 T CB -0.572 68.313 68.868 0.029 0.000 1.110 259 T HN 0.885 nan 8.240 nan 0.000 0.573 260 G N 1.165 109.967 108.800 0.002 0.000 2.578 260 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.275 260 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.275 260 G C 0.260 175.164 174.900 0.006 0.000 1.271 260 G CA 0.330 45.427 45.100 -0.005 0.000 0.941 260 G HN 1.893 nan 8.290 nan 0.000 0.564 261 c N -2.691 115.909 118.600 -0.001 0.000 2.996 261 c HA 0.626 5.195 4.570 -0.000 0.000 0.221 261 c C 0.256 174.339 174.090 -0.011 0.000 1.122 261 c CA -0.582 55.752 56.329 0.008 0.000 1.040 261 c CB -1.014 41.503 42.510 0.012 0.000 1.804 261 c HN 0.820 nan 8.230 nan 0.000 0.659 262 L N 2.161 123.377 121.223 -0.013 0.000 3.084 262 L HA 0.576 4.915 4.340 -0.000 0.000 0.238 262 L C 1.507 178.370 176.870 -0.013 0.000 1.327 262 L CA 0.838 55.665 54.840 -0.021 0.000 1.094 262 L CB 0.029 42.072 42.059 -0.026 0.000 1.477 262 L HN 0.970 nan 8.230 nan 0.000 0.514 263 G N -0.522 108.278 108.800 -0.001 0.000 2.213 263 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.226 263 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.226 263 G C 0.955 175.868 174.900 0.022 0.000 0.992 263 G CA 0.037 45.142 45.100 0.007 0.000 0.632 263 G HN 0.501 nan 8.290 nan 0.000 0.511 264 G N 1.020 109.837 108.800 0.028 0.000 2.440 264 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.218 264 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.218 264 G C 1.754 176.710 174.900 0.094 0.000 1.154 264 G CA 1.978 47.105 45.100 0.046 0.000 0.767 264 G HN 0.882 nan 8.290 nan 0.000 0.552 265 Q N 0.658 120.530 119.800 0.120 0.000 2.167 265 Q HA -0.028 4.312 4.340 -0.000 0.000 0.202 265 Q C 2.489 178.625 176.000 0.226 0.000 0.970 265 Q CA 1.556 57.505 55.803 0.244 0.000 0.855 265 Q CB -0.934 27.944 28.738 0.232 0.000 0.911 265 Q HN 0.366 nan 8.270 nan 0.000 0.438 266 V N 1.841 121.808 119.914 0.088 0.000 2.229 266 V HA -0.225 3.895 4.120 -0.000 0.000 0.243 266 V C 2.622 178.698 176.094 -0.030 0.000 1.042 266 V CA 1.361 63.661 62.300 0.002 0.000 1.000 266 V CB -0.821 30.985 31.823 -0.027 0.000 0.637 266 V HN 0.265 nan 8.190 nan 0.000 0.446 267 L N 0.564 121.769 121.223 -0.030 0.000 2.010 267 L HA -0.255 4.085 4.340 -0.000 0.000 0.219 267 L C 2.674 179.507 176.870 -0.063 0.000 1.077 267 L CA 2.796 57.596 54.840 -0.067 0.000 0.773 267 L CB -1.220 40.847 42.059 0.013 0.000 0.892 267 L HN 0.547 nan 8.230 nan 0.000 0.436 268 S N -1.385 114.354 115.700 0.066 0.000 2.423 268 S HA -0.210 4.259 4.470 -0.000 0.000 0.231 268 S C 1.933 176.602 174.600 0.114 0.000 1.014 268 S CA 1.033 59.310 58.200 0.129 0.000 0.965 268 S CB -0.339 63.010 63.200 0.248 0.000 0.785 268 S HN 0.436 nan 8.310 nan 0.000 0.495 269 F N 1.861 121.748 119.950 -0.105 0.000 2.149 269 F HA 0.145 4.672 4.527 -0.000 0.000 0.294 269 F C 2.112 177.733 175.800 -0.297 0.000 1.095 269 F CA 1.350 59.157 58.000 -0.322 0.000 1.276 269 F CB -0.266 38.475 39.000 -0.433 0.000 1.023 269 F HN 0.095 nan 8.300 nan 0.000 0.480 270 K N 0.402 120.640 120.400 -0.269 0.000 2.044 270 K HA -0.213 4.107 4.320 -0.000 0.000 0.210 270 K C 1.967 178.153 176.600 -0.689 0.000 1.049 270 K CA 1.940 57.819 56.287 -0.680 0.000 0.927 270 K CB -0.274 31.242 32.500 -1.641 0.000 0.713 270 K HN 0.285 nan 8.250 nan 0.000 0.443 271 K N 0.560 120.676 120.400 -0.474 0.000 2.211 271 K HA -0.064 4.256 4.320 -0.000 0.000 0.203 271 K C 2.159 178.677 176.600 -0.137 0.000 1.050 271 K CA 0.878 57.065 56.287 -0.167 0.000 0.945 271 K CB -0.078 32.407 32.500 -0.024 0.000 0.732 271 K HN 0.248 nan 8.250 nan 0.000 0.451 272 M N 1.015 120.495 119.600 -0.201 0.000 2.067 272 M HA -0.164 4.316 4.480 -0.000 0.000 0.260 272 M C 1.971 178.129 176.300 -0.237 0.000 1.069 272 M CA 1.625 56.806 55.300 -0.199 0.000 1.117 272 M CB -0.059 32.384 32.600 -0.262 0.000 1.334 272 M HN -0.091 nan 8.290 nan 0.000 0.407 273 V N 1.588 121.288 119.914 -0.356 0.000 2.295 273 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 273 V C 2.142 178.135 176.094 -0.169 0.000 1.049 273 V CA 2.353 64.468 62.300 -0.308 0.000 1.024 273 V CB -1.322 30.363 31.823 -0.229 0.000 0.648 273 V HN 0.612 nan 8.190 nan 0.000 0.447 274 N N -0.010 118.722 118.700 0.054 0.000 2.094 274 N HA -0.211 4.529 4.740 -0.000 0.000 0.191 274 N C 1.810 177.396 175.510 0.127 0.000 1.023 274 N CA 1.704 54.884 53.050 0.218 0.000 0.857 274 N CB -0.085 38.496 38.487 0.157 0.000 1.013 274 N HN 0.433 nan 8.380 nan 0.000 0.426 275 E N 0.351 120.574 120.200 0.038 0.000 2.046 275 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 275 E C 2.236 178.873 176.600 0.061 0.000 0.982 275 E CA 0.498 56.924 56.400 0.043 0.000 0.800 275 E CB -0.605 29.102 29.700 0.011 0.000 0.756 275 E HN 0.430 nan 8.360 nan 0.000 0.449 276 L N 0.451 121.691 121.223 0.030 0.000 2.064 276 L HA -0.270 4.070 4.340 -0.000 0.000 0.216 276 L C 2.490 179.463 176.870 0.173 0.000 1.077 276 L CA 1.622 56.501 54.840 0.065 0.000 0.766 276 L CB -0.559 41.506 42.059 0.010 0.000 0.890 276 L HN 0.302 nan 8.230 nan 0.000 0.435 277 H N -1.059 118.047 119.070 0.059 0.000 2.470 277 H HA -0.046 4.510 4.556 -0.000 0.000 0.289 277 H C 1.766 177.129 175.328 0.059 0.000 1.033 277 H CA 0.851 56.936 56.048 0.062 0.000 1.331 277 H CB 0.122 29.947 29.762 0.105 0.000 1.414 277 H HN 0.502 nan 8.280 nan 0.000 0.545 278 N N 0.308 119.121 118.700 0.188 0.000 2.512 278 N HA -0.023 4.717 4.740 -0.000 0.000 0.183 278 N C 1.182 176.738 175.510 0.077 0.000 1.073 278 N CA 0.299 53.416 53.050 0.112 0.000 0.911 278 N CB 0.336 38.877 38.487 0.089 0.000 0.964 278 N HN 0.188 nan 8.380 nan 0.000 0.447 279 A N 0.393 123.260 122.820 0.078 0.000 2.500 279 A HA 0.443 4.763 4.320 -0.000 0.000 0.267 279 A C 1.182 178.791 177.584 0.043 0.000 1.290 279 A CA 0.051 52.119 52.037 0.051 0.000 0.928 279 A CB -0.210 18.818 19.000 0.046 0.000 1.066 279 A HN 0.186 nan 8.150 nan 0.000 0.516 280 G N 0.249 109.077 108.800 0.047 0.000 2.338 280 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.296 280 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.296 280 G C -0.131 174.777 174.900 0.014 0.000 1.040 280 G CA 0.640 45.748 45.100 0.013 0.000 1.004 280 G HN 0.565 nan 8.290 nan 0.000 0.509 281 I N -0.197 120.408 120.570 0.058 0.000 2.433 281 I HA 0.334 4.503 4.170 -0.000 0.000 0.292 281 I C 0.493 176.675 176.117 0.107 0.000 1.001 281 I CA -0.840 60.496 61.300 0.059 0.000 1.119 281 I CB 1.635 39.670 38.000 0.058 0.000 1.289 281 I HN 0.106 nan 8.210 nan 0.000 0.438 282 E N 4.440 124.665 120.200 0.042 0.000 2.343 282 E HA 0.351 4.701 4.350 -0.000 0.000 0.269 282 E C -1.058 175.573 176.600 0.052 0.000 1.047 282 E CA -0.473 55.953 56.400 0.044 0.000 0.874 282 E CB 2.070 31.753 29.700 -0.028 0.000 1.033 282 E HN 0.268 nan 8.360 nan 0.000 0.409 283 V N 4.839 124.793 119.914 0.066 0.000 2.350 283 V HA 0.351 4.470 4.120 -0.000 0.000 0.285 283 V C -0.094 175.946 176.094 -0.090 0.000 1.014 283 V CA -0.491 61.798 62.300 -0.018 0.000 0.831 283 V CB 0.676 32.472 31.823 -0.046 0.000 1.000 283 V HN 0.518 nan 8.190 nan 0.000 0.433 284 I N 6.055 126.557 120.570 -0.114 0.000 2.404 284 I HA 0.529 4.699 4.170 -0.000 0.000 0.293 284 I C -0.170 175.834 176.117 -0.188 0.000 0.992 284 I CA -0.676 60.513 61.300 -0.185 0.000 1.149 284 I CB 1.928 39.845 38.000 -0.138 0.000 1.315 284 I HN 0.616 nan 8.210 nan 0.000 0.446 285 I N 1.756 122.164 120.570 -0.270 0.000 2.355 285 I HA 0.410 4.580 4.170 -0.000 0.000 0.288 285 I C -0.139 175.794 176.117 -0.307 0.000 0.999 285 I CA -0.676 60.461 61.300 -0.271 0.000 1.163 285 I CB 1.190 38.999 38.000 -0.319 0.000 1.316 285 I HN 0.428 nan 8.210 nan 0.000 0.454 286 D N 6.270 126.495 120.400 -0.292 0.000 2.581 286 D HA 0.090 4.730 4.640 -0.000 0.000 0.238 286 D C -0.339 175.646 176.300 -0.525 0.000 1.145 286 D CA 0.661 54.460 54.000 -0.335 0.000 0.866 286 D CB 1.116 41.741 40.800 -0.292 0.000 1.151 286 D HN 0.539 nan 8.370 nan 0.000 0.500 287 V N 1.271 120.832 119.914 -0.588 0.000 2.656 287 V HA 0.553 4.673 4.120 -0.000 0.000 0.307 287 V C -0.172 175.512 176.094 -0.683 0.000 1.051 287 V CA -0.989 60.736 62.300 -0.957 0.000 0.893 287 V CB 2.034 33.203 31.823 -1.090 0.000 0.999 287 V HN 0.146 nan 8.190 nan 0.000 0.426 288 V N 4.914 124.387 119.914 -0.735 0.000 2.334 288 V HA 0.416 4.536 4.120 -0.000 0.000 0.281 288 V C -0.355 175.483 176.094 -0.426 0.000 1.016 288 V CA 0.054 62.148 62.300 -0.343 0.000 0.832 288 V CB 0.768 32.509 31.823 -0.136 0.000 0.999 288 V HN 0.970 nan 8.190 nan 0.000 0.439 289 Y N 2.707 122.921 120.300 -0.144 0.000 2.445 289 Y HA 0.058 4.608 4.550 -0.000 0.000 0.247 289 Y C 1.976 177.807 175.900 -0.114 0.000 1.129 289 Y CA 0.014 57.920 58.100 -0.324 0.000 1.251 289 Y CB 0.444 38.721 38.460 -0.306 0.000 1.176 289 Y HN 0.786 nan 8.280 nan 0.000 0.522 290 N N -0.121 118.671 118.700 0.154 0.000 2.392 290 N HA -0.004 4.736 4.740 -0.000 0.000 0.177 290 N C 0.074 175.764 175.510 0.300 0.000 1.066 290 N CA 0.686 53.863 53.050 0.212 0.000 0.895 290 N CB -0.083 38.554 38.487 0.250 0.000 0.988 290 N HN 0.410 nan 8.380 nan 0.000 0.457 291 H N -4.182 115.039 119.070 0.251 0.000 2.981 291 H HA 0.675 5.231 4.556 -0.000 0.000 0.327 291 H C -1.479 174.038 175.328 0.315 0.000 1.342 291 H CA -0.923 55.291 56.048 0.276 0.000 1.123 291 H CB 0.946 30.846 29.762 0.231 0.000 1.851 291 H HN -0.124 nan 8.280 nan 0.000 0.531 292 T N 0.039 114.862 114.554 0.448 0.000 2.926 292 T HA 0.609 4.959 4.350 -0.000 0.000 0.289 292 T C 0.940 175.900 174.700 0.434 0.000 1.054 292 T CA -0.208 62.105 62.100 0.354 0.000 1.015 292 T CB 1.475 70.575 68.868 0.387 0.000 1.167 292 T HN 0.854 nan 8.240 nan 0.000 0.526 293 A N 0.313 123.337 122.820 0.340 0.000 2.276 293 A HA 0.149 4.469 4.320 -0.000 0.000 0.212 293 A C 1.309 179.049 177.584 0.260 0.000 1.230 293 A CA 0.451 52.679 52.037 0.319 0.000 0.844 293 A CB -0.440 18.733 19.000 0.289 0.000 0.860 293 A HN 0.823 nan 8.150 nan 0.000 0.486 294 E N -0.249 120.091 120.200 0.234 0.000 2.479 294 E HA 0.286 4.636 4.350 -0.000 0.000 0.193 294 E C 1.280 177.867 176.600 -0.022 0.000 1.049 294 E CA 0.079 56.551 56.400 0.119 0.000 0.870 294 E CB -0.011 29.785 29.700 0.160 0.000 0.944 294 E HN 0.673 nan 8.360 nan 0.000 0.492 295 G N 2.727 111.544 108.800 0.027 0.000 2.622 295 G HA2 -0.369 3.590 3.960 -0.000 0.000 0.272 295 G HA3 -0.369 3.590 3.960 -0.000 0.000 0.272 295 G C 0.058 174.782 174.900 -0.294 0.000 1.308 295 G CA 0.170 45.240 45.100 -0.050 0.000 0.919 295 G HN 0.509 nan 8.290 nan 0.000 0.565 296 N N -0.071 118.462 118.700 -0.279 0.000 2.294 296 N HA 0.252 4.992 4.740 -0.000 0.000 0.275 296 N C 1.014 176.208 175.510 -0.528 0.000 1.291 296 N CA -0.022 52.760 53.050 -0.446 0.000 0.933 296 N CB 0.001 38.450 38.487 -0.064 0.000 1.096 296 N HN 1.062 nan 8.380 nan 0.000 0.525 297 H N -1.053 117.772 119.070 -0.409 0.000 3.044 297 H HA -0.073 4.483 4.556 -0.000 0.000 0.356 297 H C 1.182 176.453 175.328 -0.096 0.000 1.134 297 H CA 0.617 56.576 56.048 -0.148 0.000 1.387 297 H CB 0.332 30.034 29.762 -0.099 0.000 1.325 297 H HN 0.820 nan 8.280 nan 0.000 0.609 298 L N -1.051 120.045 121.223 -0.212 0.000 4.977 298 L HA -0.266 4.074 4.340 -0.000 0.000 0.398 298 L C 1.373 178.515 176.870 0.454 0.000 0.818 298 L CA 1.417 56.256 54.840 -0.003 0.000 2.090 298 L CB -1.665 40.264 42.059 -0.217 0.000 1.320 298 L HN 0.942 nan 8.230 nan 0.000 0.615 299 G N 0.475 109.403 108.800 0.213 0.000 2.684 299 G HA2 0.396 4.356 3.960 -0.000 0.000 0.255 299 G HA3 0.396 4.356 3.960 -0.000 0.000 0.255 299 G C -2.152 172.848 174.900 0.168 0.000 1.219 299 G CA -0.224 45.011 45.100 0.224 0.000 0.901 299 G HN 0.111 nan 8.290 nan 0.000 0.548 300 P HA 0.262 nan 4.420 nan 0.000 0.277 300 P C -0.572 176.624 177.300 -0.173 0.000 1.271 300 P CA -0.189 62.518 63.100 -0.656 0.000 0.795 300 P CB 1.094 32.496 31.700 -0.496 0.000 1.101 301 T N 1.512 115.982 114.554 -0.140 0.000 2.991 301 T HA 0.376 4.726 4.350 -0.000 0.000 0.347 301 T C 0.805 175.489 174.700 -0.027 0.000 1.122 301 T CA -0.147 61.957 62.100 0.006 0.000 1.062 301 T CB -0.225 68.694 68.868 0.085 0.000 1.043 301 T HN 0.246 nan 8.240 nan 0.000 0.491 302 L N 0.872 122.080 121.223 -0.026 0.000 2.694 302 L HA 0.348 4.687 4.340 -0.000 0.000 0.228 302 L C 1.800 178.594 176.870 -0.127 0.000 1.048 302 L CA 0.137 54.925 54.840 -0.088 0.000 0.887 302 L CB 0.404 42.402 42.059 -0.103 0.000 1.265 302 L HN 0.570 nan 8.230 nan 0.000 0.492 303 S N -1.649 113.972 115.700 -0.131 0.000 4.736 303 S HA 0.207 4.677 4.470 -0.000 0.000 0.170 303 S C 1.160 175.542 174.600 -0.363 0.000 1.074 303 S CA -0.227 57.755 58.200 -0.362 0.000 1.250 303 S CB -0.471 62.335 63.200 -0.657 0.000 1.772 303 S HN 0.085 nan 8.310 nan 0.000 0.633 304 F N 2.247 122.172 119.950 -0.041 0.000 2.164 304 F HA 0.425 4.952 4.527 -0.000 0.000 0.287 304 F C 2.537 178.479 175.800 0.237 0.000 1.086 304 F CA 0.951 58.867 58.000 -0.141 0.000 1.249 304 F CB -0.587 38.227 39.000 -0.311 0.000 1.059 304 F HN 0.165 nan 8.300 nan 0.000 0.490 305 R N 0.619 121.528 120.500 0.682 0.000 2.198 305 R HA -0.209 4.131 4.340 -0.000 0.000 0.258 305 R C 2.070 178.629 176.300 0.433 0.000 1.173 305 R CA 1.772 58.205 56.100 0.556 0.000 0.991 305 R CB -0.799 29.719 30.300 0.362 0.000 0.879 305 R HN 0.458 nan 8.270 nan 0.000 0.460 306 G N -0.506 108.481 108.800 0.312 0.000 2.595 306 G HA2 0.010 3.970 3.960 -0.000 0.000 0.213 306 G HA3 0.010 3.970 3.960 -0.000 0.000 0.213 306 G C 1.279 176.295 174.900 0.193 0.000 1.141 306 G CA -0.021 45.235 45.100 0.260 0.000 0.806 306 G HN 0.151 nan 8.290 nan 0.000 0.530 307 I N 0.034 120.697 120.570 0.155 0.000 2.429 307 I HA 0.166 4.336 4.170 -0.000 0.000 0.247 307 I C -0.110 176.151 176.117 0.240 0.000 1.099 307 I CA 0.896 62.212 61.300 0.026 0.000 1.422 307 I CB -0.121 37.863 38.000 -0.027 0.000 1.112 307 I HN -0.018 nan 8.210 nan 0.000 0.430 308 D N -0.012 120.697 120.400 0.515 0.000 2.738 308 D HA 0.107 4.746 4.640 -0.000 0.000 0.218 308 D C 0.025 176.646 176.300 0.534 0.000 1.345 308 D CA -0.118 54.220 54.000 0.563 0.000 0.943 308 D CB 1.556 42.480 40.800 0.208 0.000 1.514 308 D HN -0.110 nan 8.370 nan 0.000 0.585 309 N N 0.552 119.465 118.700 0.356 0.000 2.395 309 N HA -0.081 4.659 4.740 -0.000 0.000 0.175 309 N C 1.624 177.287 175.510 0.254 0.000 1.029 309 N CA 1.336 54.609 53.050 0.371 0.000 0.897 309 N CB 0.500 39.118 38.487 0.218 0.000 0.991 309 N HN 0.390 nan 8.380 nan 0.000 0.441 310 T N -3.454 111.173 114.554 0.121 0.000 3.088 310 T HA 0.290 4.640 4.350 -0.000 0.000 0.259 310 T C 1.538 176.324 174.700 0.143 0.000 1.122 310 T CA 0.538 62.693 62.100 0.092 0.000 1.095 310 T CB 0.150 69.042 68.868 0.040 0.000 0.930 310 T HN 0.147 nan 8.240 nan 0.000 0.508 311 A N 0.158 123.056 122.820 0.130 0.000 1.920 311 A HA 0.362 4.682 4.320 -0.000 0.000 0.209 311 A C 1.831 179.333 177.584 -0.136 0.000 1.229 311 A CA 0.169 52.184 52.037 -0.035 0.000 0.671 311 A CB -0.594 18.268 19.000 -0.229 0.000 0.886 311 A HN 0.496 nan 8.150 nan 0.000 0.461 312 Y N -2.091 118.217 120.300 0.015 0.000 2.490 312 Y HA 0.189 4.739 4.550 -0.000 0.000 0.285 312 Y C -0.001 175.728 175.900 -0.286 0.000 1.117 312 Y CA 0.510 58.489 58.100 -0.201 0.000 1.262 312 Y CB 0.144 38.376 38.460 -0.379 0.000 1.043 312 Y HN 0.274 nan 8.280 nan 0.000 0.553 313 Y N -0.306 120.166 120.300 0.287 0.000 2.393 313 Y HA 0.364 4.914 4.550 -0.000 0.000 0.341 313 Y C -0.242 175.755 175.900 0.162 0.000 0.988 313 Y CA -1.437 56.824 58.100 0.269 0.000 1.078 313 Y CB 1.143 39.853 38.460 0.417 0.000 1.203 313 Y HN -0.267 nan 8.280 nan 0.000 0.453 314 M N 5.209 125.009 119.600 0.334 0.000 2.435 314 M HA 0.144 4.624 4.480 -0.000 0.000 0.338 314 M C -1.079 175.303 176.300 0.136 0.000 1.628 314 M CA 0.645 56.068 55.300 0.204 0.000 1.215 314 M CB -0.162 32.566 32.600 0.214 0.000 1.905 314 M HN 0.358 nan 8.290 nan 0.000 0.457 315 L N 3.147 124.394 121.223 0.039 0.000 2.307 315 L HA 0.320 4.660 4.340 -0.000 0.000 0.282 315 L C 0.566 177.435 176.870 -0.002 0.000 1.051 315 L CA -0.780 54.019 54.840 -0.069 0.000 0.804 315 L CB 1.109 43.086 42.059 -0.136 0.000 1.197 315 L HN 0.605 nan 8.230 nan 0.000 0.431 316 Q N 4.957 124.764 119.800 0.011 0.000 2.687 316 Q HA -0.081 4.258 4.340 -0.000 0.000 0.341 316 Q C -1.416 174.618 176.000 0.057 0.000 1.074 316 Q CA -0.622 55.215 55.803 0.056 0.000 1.115 316 Q CB 0.836 29.616 28.738 0.070 0.000 0.996 316 Q HN 0.346 nan 8.270 nan 0.000 0.397 317 P HA -0.149 nan 4.420 nan 0.000 0.223 317 P C 0.177 177.511 177.300 0.056 0.000 1.151 317 P CA 1.148 64.295 63.100 0.078 0.000 0.787 317 P CB 0.232 32.005 31.700 0.120 0.000 0.788 318 D N -1.413 119.021 120.400 0.056 0.000 2.346 318 D HA -0.037 4.603 4.640 -0.000 0.000 0.206 318 D C 1.453 177.771 176.300 0.029 0.000 1.001 318 D CA 0.558 54.579 54.000 0.035 0.000 0.871 318 D CB -0.829 39.986 40.800 0.025 0.000 0.943 318 D HN 0.193 nan 8.370 nan 0.000 0.518 319 N N -0.278 118.446 118.700 0.041 0.000 2.677 319 N HA 0.083 4.823 4.740 -0.000 0.000 0.242 319 N C -0.020 175.503 175.510 0.021 0.000 1.044 319 N CA -0.149 52.937 53.050 0.060 0.000 0.934 319 N CB 0.592 39.170 38.487 0.151 0.000 1.595 319 N HN -0.206 nan 8.380 nan 0.000 0.459 320 K N -0.538 119.861 120.400 -0.002 0.000 3.426 320 K HA -0.250 4.070 4.320 -0.000 0.000 0.315 320 K C 0.650 177.160 176.600 -0.151 0.000 1.293 320 K CA 1.221 57.461 56.287 -0.078 0.000 0.955 320 K CB -0.812 31.654 32.500 -0.057 0.000 1.238 320 K HN 0.375 nan 8.250 nan 0.000 0.441 321 R N -0.441 119.984 120.500 -0.124 0.000 2.335 321 R HA 0.119 4.459 4.340 -0.000 0.000 0.210 321 R C 0.109 176.141 176.300 -0.446 0.000 0.892 321 R CA 0.074 56.012 56.100 -0.269 0.000 1.048 321 R CB 0.365 30.503 30.300 -0.269 0.000 1.067 321 R HN 0.083 nan 8.270 nan 0.000 0.524 322 Y N -0.256 119.917 120.300 -0.212 0.000 2.487 322 Y HA 0.392 4.942 4.550 -0.000 0.000 0.337 322 Y C -0.789 175.046 175.900 -0.109 0.000 1.076 322 Y CA -1.186 56.826 58.100 -0.146 0.000 1.115 322 Y CB 1.246 39.619 38.460 -0.145 0.000 1.235 322 Y HN -0.154 nan 8.280 nan 0.000 0.468 323 Y N 2.154 122.535 120.300 0.135 0.000 2.335 323 Y HA 0.362 4.912 4.550 -0.000 0.000 0.339 323 Y C -0.213 175.729 175.900 0.071 0.000 0.987 323 Y CA -0.873 57.286 58.100 0.098 0.000 1.140 323 Y CB 0.735 39.235 38.460 0.067 0.000 1.173 323 Y HN 0.298 nan 8.280 nan 0.000 0.486 324 L N 4.431 125.739 121.223 0.141 0.000 2.559 324 L HA -0.026 4.314 4.340 -0.000 0.000 0.274 324 L C 0.047 176.924 176.870 0.010 0.000 1.205 324 L CA 0.629 55.467 54.840 -0.004 0.000 0.907 324 L CB 0.131 42.203 42.059 0.021 0.000 1.153 324 L HN 0.648 nan 8.230 nan 0.000 0.490 325 D N 3.640 123.921 120.400 -0.199 0.000 2.446 325 D HA 0.187 4.827 4.640 -0.000 0.000 0.251 325 D C 0.035 176.183 176.300 -0.252 0.000 1.137 325 D CA -0.355 53.587 54.000 -0.097 0.000 0.890 325 D CB 0.724 41.501 40.800 -0.039 0.000 1.071 325 D HN 0.267 nan 8.370 nan 0.000 0.528 326 F N 1.026 121.014 119.950 0.063 0.000 2.695 326 F HA 0.053 4.580 4.527 -0.000 0.000 0.303 326 F C 2.391 178.238 175.800 0.079 0.000 1.091 326 F CA 0.280 58.318 58.000 0.064 0.000 1.300 326 F CB 0.689 39.720 39.000 0.052 0.000 1.071 326 F HN 0.334 nan 8.300 nan 0.000 0.578 327 T N -4.439 110.235 114.554 0.200 0.000 3.034 327 T HA 0.395 4.745 4.350 -0.000 0.000 0.248 327 T C 1.837 176.550 174.700 0.022 0.000 1.040 327 T CA 0.714 62.892 62.100 0.130 0.000 1.107 327 T CB 0.351 69.293 68.868 0.123 0.000 0.932 327 T HN 0.270 nan 8.240 nan 0.000 0.474 328 G N 1.329 110.120 108.800 -0.016 0.000 2.159 328 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.227 328 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.227 328 G C 0.700 175.530 174.900 -0.116 0.000 0.986 328 G CA 0.726 45.789 45.100 -0.061 0.000 0.651 328 G HN 1.228 nan 8.290 nan 0.000 0.523 329 T N -2.972 111.489 114.554 -0.156 0.000 3.182 329 T HA 0.557 4.907 4.350 -0.000 0.000 0.277 329 T C 1.921 176.573 174.700 -0.079 0.000 1.013 329 T CA 1.396 63.376 62.100 -0.200 0.000 0.900 329 T CB 0.736 69.249 68.868 -0.592 0.000 1.098 329 T HN 2.117 nan 8.240 nan 0.000 0.543 330 G N 2.025 110.798 108.800 -0.046 0.000 2.349 330 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.213 330 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.213 330 G C -0.065 174.831 174.900 -0.008 0.000 1.044 330 G CA -0.049 45.031 45.100 -0.033 0.000 0.633 330 G HN 1.021 nan 8.290 nan 0.000 0.506 331 N N -1.196 117.532 118.700 0.048 0.000 2.902 331 N HA 0.677 5.417 4.740 -0.000 0.000 0.268 331 N C -1.603 174.085 175.510 0.297 0.000 1.450 331 N CA -0.260 52.882 53.050 0.154 0.000 0.819 331 N CB 2.156 40.638 38.487 -0.008 0.000 1.540 331 N HN 0.059 nan 8.380 nan 0.000 0.545 332 T N 1.100 115.903 114.554 0.415 0.000 3.143 332 T HA 0.223 4.573 4.350 -0.000 0.000 0.312 332 T C -0.766 174.177 174.700 0.405 0.000 0.986 332 T CA -0.505 61.838 62.100 0.405 0.000 1.024 332 T CB 1.148 70.261 68.868 0.409 0.000 1.030 332 T HN 0.426 nan 8.240 nan 0.000 0.448 333 L N 4.790 126.204 121.223 0.318 0.000 2.540 333 L HA 0.205 4.545 4.340 -0.000 0.000 0.276 333 L C 0.665 177.602 176.870 0.113 0.000 1.212 333 L CA 0.111 55.051 54.840 0.167 0.000 0.893 333 L CB 0.238 42.354 42.059 0.094 0.000 1.138 333 L HN 0.670 nan 8.230 nan 0.000 0.491 334 N N 5.161 123.915 118.700 0.090 0.000 2.558 334 N HA 0.036 4.776 4.740 -0.000 0.000 0.233 334 N C -0.227 175.286 175.510 0.005 0.000 1.038 334 N CA -0.552 52.528 53.050 0.050 0.000 0.934 334 N CB 0.843 39.382 38.487 0.086 0.000 1.175 334 N HN 0.421 nan 8.380 nan 0.000 0.512 335 L N 2.291 123.478 121.223 -0.060 0.000 2.801 335 L HA 0.038 4.378 4.340 -0.000 0.000 0.250 335 L C 1.803 178.647 176.870 -0.044 0.000 1.222 335 L CA 0.381 55.155 54.840 -0.110 0.000 1.054 335 L CB -1.188 40.717 42.059 -0.257 0.000 1.330 335 L HN 0.695 nan 8.230 nan 0.000 0.426 336 S N -3.424 112.273 115.700 -0.004 0.000 2.511 336 S HA 0.071 4.541 4.470 -0.000 0.000 0.214 336 S C 0.916 175.532 174.600 0.026 0.000 0.997 336 S CA -0.232 57.969 58.200 0.002 0.000 0.908 336 S CB -0.160 63.034 63.200 -0.009 0.000 0.803 336 S HN 0.430 nan 8.310 nan 0.000 0.504 337 H N 2.892 121.940 119.070 -0.037 0.000 2.548 337 H HA 0.354 4.910 4.556 -0.000 0.000 0.331 337 H C -2.231 173.055 175.328 -0.070 0.000 1.093 337 H CA -1.653 54.369 56.048 -0.045 0.000 1.367 337 H CB 1.770 31.503 29.762 -0.049 0.000 1.455 337 H HN -0.021 nan 8.280 nan 0.000 0.519 338 P HA -0.092 nan 4.420 nan 0.000 0.218 338 P C 1.330 178.672 177.300 0.070 0.000 1.149 338 P CA 1.042 64.150 63.100 0.015 0.000 0.817 338 P CB 0.529 32.172 31.700 -0.095 0.000 0.785 339 R N -0.959 119.625 120.500 0.140 0.000 2.112 339 R HA 0.088 4.428 4.340 -0.000 0.000 0.216 339 R C 2.183 178.407 176.300 -0.127 0.000 1.080 339 R CA 0.592 56.532 56.100 -0.268 0.000 0.996 339 R CB -1.572 27.980 30.300 -1.246 0.000 0.902 339 R HN 0.139 nan 8.270 nan 0.000 0.449 340 V N 1.836 121.685 119.914 -0.108 0.000 2.287 340 V HA -0.225 3.894 4.120 -0.000 0.000 0.248 340 V C 2.392 178.500 176.094 0.023 0.000 1.053 340 V CA 1.713 64.015 62.300 0.003 0.000 1.027 340 V CB -0.428 31.376 31.823 -0.032 0.000 0.646 340 V HN 0.169 nan 8.190 nan 0.000 0.447 341 I N -0.237 120.338 120.570 0.008 0.000 2.264 341 I HA -0.328 3.842 4.170 -0.000 0.000 0.248 341 I C 2.623 178.779 176.117 0.065 0.000 1.111 341 I CA 1.926 63.220 61.300 -0.011 0.000 1.382 341 I CB -0.403 37.639 38.000 0.070 0.000 1.060 341 I HN 0.427 nan 8.210 nan 0.000 0.418 342 Q N 0.914 120.778 119.800 0.107 0.000 2.119 342 Q HA -0.234 4.106 4.340 -0.000 0.000 0.201 342 Q C 2.362 178.518 176.000 0.259 0.000 0.972 342 Q CA 1.440 57.346 55.803 0.172 0.000 0.847 342 Q CB -0.008 28.821 28.738 0.151 0.000 0.903 342 Q HN 0.502 nan 8.270 nan 0.000 0.433 343 M N -0.182 119.599 119.600 0.302 0.000 2.077 343 M HA -0.151 4.329 4.480 -0.000 0.000 0.261 343 M C 1.947 178.372 176.300 0.207 0.000 1.070 343 M CA 1.322 56.894 55.300 0.453 0.000 1.125 343 M CB -0.012 32.958 32.600 0.616 0.000 1.339 343 M HN 0.186 nan 8.290 nan 0.000 0.409 344 V N 1.257 121.165 119.914 -0.009 0.000 2.332 344 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 344 V C 2.418 178.353 176.094 -0.266 0.000 1.055 344 V CA 1.771 63.842 62.300 -0.381 0.000 1.038 344 V CB -0.780 30.609 31.823 -0.722 0.000 0.651 344 V HN 0.530 nan 8.190 nan 0.000 0.450 345 L N -0.629 120.591 121.223 -0.005 0.000 2.072 345 L HA -0.116 4.224 4.340 -0.000 0.000 0.205 345 L C 2.410 179.369 176.870 0.148 0.000 1.079 345 L CA 1.343 56.257 54.840 0.123 0.000 0.752 345 L CB -0.664 41.522 42.059 0.211 0.000 0.906 345 L HN 0.307 nan 8.230 nan 0.000 0.436 346 D N -0.489 120.039 120.400 0.215 0.000 2.106 346 D HA -0.233 4.407 4.640 -0.000 0.000 0.191 346 D C 2.323 178.755 176.300 0.221 0.000 0.997 346 D CA 1.779 55.965 54.000 0.310 0.000 0.834 346 D CB -0.219 40.883 40.800 0.504 0.000 0.956 346 D HN 0.117 nan 8.370 nan 0.000 0.448 347 S N -0.422 115.237 115.700 -0.067 0.000 2.359 347 S HA -0.154 4.316 4.470 -0.000 0.000 0.223 347 S C 2.192 176.937 174.600 0.242 0.000 1.039 347 S CA 1.008 59.015 58.200 -0.322 0.000 1.042 347 S CB -0.482 62.498 63.200 -0.367 0.000 0.915 347 S HN 0.220 nan 8.310 nan 0.000 0.439 348 L N 0.765 122.065 121.223 0.127 0.000 2.013 348 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 348 L C 2.987 180.061 176.870 0.339 0.000 1.073 348 L CA 1.738 56.624 54.840 0.078 0.000 0.753 348 L CB -0.497 41.439 42.059 -0.204 0.000 0.890 348 L HN 0.314 nan 8.230 nan 0.000 0.432 349 R N -1.431 119.233 120.500 0.274 0.000 2.115 349 R HA -0.204 4.136 4.340 -0.000 0.000 0.230 349 R C 2.248 178.739 176.300 0.319 0.000 1.111 349 R CA 1.446 57.717 56.100 0.284 0.000 0.976 349 R CB -0.377 30.071 30.300 0.247 0.000 0.870 349 R HN 0.326 nan 8.270 nan 0.000 0.445 350 Y N -0.279 120.151 120.300 0.216 0.000 2.163 350 Y HA -0.214 4.336 4.550 -0.000 0.000 0.288 350 Y C 1.478 177.434 175.900 0.093 0.000 1.136 350 Y CA 1.257 59.433 58.100 0.127 0.000 1.147 350 Y CB -0.313 38.186 38.460 0.065 0.000 0.987 350 Y HN -0.002 nan 8.280 nan 0.000 0.509 351 W N -0.743 120.648 121.300 0.152 0.000 2.595 351 W HA -0.046 4.614 4.660 -0.000 0.000 0.257 351 W C 2.150 178.720 176.519 0.085 0.000 1.267 351 W CA 1.231 58.634 57.345 0.096 0.000 1.300 351 W CB -0.273 29.398 29.460 0.353 0.000 1.120 351 W HN -0.103 nan 8.180 nan 0.000 0.618 352 V N -0.332 119.783 119.914 0.337 0.000 2.283 352 V HA -0.205 3.915 4.120 -0.000 0.000 0.239 352 V C 2.400 178.546 176.094 0.086 0.000 1.035 352 V CA 2.372 64.790 62.300 0.197 0.000 1.018 352 V CB -1.336 30.627 31.823 0.233 0.000 0.658 352 V HN 0.229 nan 8.190 nan 0.000 0.459 353 T N -2.508 112.094 114.554 0.081 0.000 3.088 353 T HA -0.029 4.321 4.350 -0.000 0.000 0.259 353 T C 1.482 176.221 174.700 0.065 0.000 1.122 353 T CA 1.394 63.526 62.100 0.054 0.000 1.095 353 T CB 0.253 69.170 68.868 0.081 0.000 0.930 353 T HN 0.395 nan 8.240 nan 0.000 0.508 354 E N -0.253 119.905 120.200 -0.070 0.000 2.306 354 E HA 0.320 4.670 4.350 -0.000 0.000 0.201 354 E C 1.615 178.072 176.600 -0.238 0.000 0.874 354 E CA 0.211 56.471 56.400 -0.233 0.000 0.972 354 E CB 0.311 29.600 29.700 -0.686 0.000 0.957 354 E HN 0.245 nan 8.360 nan 0.000 0.492 355 M N -0.256 119.211 119.600 -0.221 0.000 2.333 355 M HA 0.196 4.676 4.480 -0.000 0.000 0.257 355 M C -0.410 175.957 176.300 0.111 0.000 1.078 355 M CA 0.410 55.720 55.300 0.017 0.000 1.005 355 M CB -0.536 32.095 32.600 0.052 0.000 1.444 355 M HN 0.240 nan 8.290 nan 0.000 0.496 356 H N -0.214 118.720 119.070 -0.227 0.000 2.713 356 H HA -0.101 4.455 4.556 -0.000 0.000 0.311 356 H C -0.241 175.038 175.328 -0.081 0.000 1.175 356 H CA -0.441 55.418 56.048 -0.315 0.000 1.143 356 H CB -1.693 27.564 29.762 -0.840 0.000 1.434 356 H HN 0.106 nan 8.280 nan 0.000 0.418 357 V N 0.613 120.598 119.914 0.119 0.000 2.924 357 V HA -0.043 4.077 4.120 -0.000 0.000 0.305 357 V C 1.400 177.434 176.094 -0.101 0.000 1.073 357 V CA 0.499 62.805 62.300 0.009 0.000 1.098 357 V CB 1.424 33.211 31.823 -0.061 0.000 1.000 357 V HN 0.405 nan 8.190 nan 0.000 0.484 358 D N 1.335 121.644 120.400 -0.152 0.000 2.407 358 D HA 0.347 4.987 4.640 -0.000 0.000 0.208 358 D C 0.610 176.765 176.300 -0.242 0.000 1.083 358 D CA 1.032 54.947 54.000 -0.142 0.000 0.844 358 D CB 1.389 42.149 40.800 -0.067 0.000 0.967 358 D HN 0.809 nan 8.370 nan 0.000 0.506 359 G N 0.290 108.805 108.800 -0.475 0.000 2.328 359 G HA2 0.340 4.300 3.960 -0.000 0.000 0.299 359 G HA3 0.340 4.300 3.960 -0.000 0.000 0.299 359 G C -1.911 172.519 174.900 -0.784 0.000 1.435 359 G CA -1.000 43.790 45.100 -0.518 0.000 0.865 359 G HN -0.045 nan 8.290 nan 0.000 0.601 360 F N -0.003 119.840 119.950 -0.179 0.000 2.563 360 F HA 0.784 5.311 4.527 -0.000 0.000 0.316 360 F C 0.354 175.982 175.800 -0.287 0.000 1.076 360 F CA -1.209 56.589 58.000 -0.336 0.000 0.921 360 F CB 2.215 40.847 39.000 -0.614 0.000 1.209 360 F HN 0.411 nan 8.300 nan 0.000 0.462 361 R N 2.919 123.343 120.500 -0.127 0.000 2.239 361 R HA 0.373 4.713 4.340 -0.000 0.000 0.332 361 R C -1.725 174.462 176.300 -0.188 0.000 0.988 361 R CA -0.462 55.584 56.100 -0.090 0.000 0.859 361 R CB 0.034 30.308 30.300 -0.043 0.000 1.148 361 R HN 0.551 nan 8.270 nan 0.000 0.482 362 F N 2.453 122.331 119.950 -0.121 0.000 2.467 362 F HA 0.086 4.612 4.527 -0.000 0.000 0.362 362 F C 1.012 176.701 175.800 -0.186 0.000 1.090 362 F CA -0.158 57.811 58.000 -0.052 0.000 1.202 362 F CB 0.618 39.720 39.000 0.171 0.000 1.113 362 F HN 0.487 nan 8.300 nan 0.000 0.541 363 D N 3.846 124.229 120.400 -0.028 0.000 2.295 363 D HA 0.336 4.976 4.640 -0.000 0.000 0.248 363 D C 0.108 176.390 176.300 -0.031 0.000 1.154 363 D CA -0.161 53.763 54.000 -0.126 0.000 0.857 363 D CB 0.391 41.165 40.800 -0.042 0.000 1.117 363 D HN 0.617 nan 8.370 nan 0.000 0.468 364 L N 2.415 123.543 121.223 -0.158 0.000 3.548 364 L HA -0.281 4.059 4.340 -0.000 0.000 0.443 364 L C 1.354 178.277 176.870 0.088 0.000 1.286 364 L CA 0.139 54.944 54.840 -0.059 0.000 0.863 364 L CB -1.862 40.241 42.059 0.073 0.000 1.734 364 L HN 0.628 nan 8.230 nan 0.000 0.873 365 A N -0.111 122.776 122.820 0.112 0.000 2.024 365 A HA -0.025 4.295 4.320 -0.000 0.000 0.220 365 A C 2.328 180.145 177.584 0.388 0.000 1.164 365 A CA 2.144 54.400 52.037 0.365 0.000 0.643 365 A CB -0.131 19.111 19.000 0.404 0.000 0.806 365 A HN 0.817 nan 8.150 nan 0.000 0.451 366 A N 0.021 123.011 122.820 0.284 0.000 1.908 366 A HA 0.123 4.443 4.320 -0.000 0.000 0.218 366 A C 2.440 180.043 177.584 0.032 0.000 1.181 366 A CA 1.971 54.077 52.037 0.116 0.000 0.627 366 A CB -1.015 18.068 19.000 0.138 0.000 0.818 366 A HN 1.180 nan 8.150 nan 0.000 0.445 367 A N -0.535 122.339 122.820 0.089 0.000 2.186 367 A HA 0.040 4.359 4.320 -0.000 0.000 0.219 367 A C 1.907 179.490 177.584 -0.001 0.000 1.159 367 A CA 1.318 53.383 52.037 0.046 0.000 0.680 367 A CB -0.603 18.490 19.000 0.155 0.000 0.787 367 A HN 0.509 nan 8.150 nan 0.000 0.467 368 L N -1.796 119.457 121.223 0.051 0.000 2.492 368 L HA 0.057 4.397 4.340 -0.000 0.000 0.223 368 L C 2.457 179.185 176.870 -0.238 0.000 1.132 368 L CA 0.705 55.560 54.840 0.024 0.000 0.850 368 L CB -0.138 42.112 42.059 0.318 0.000 0.966 368 L HN 0.356 nan 8.230 nan 0.000 0.454 369 A N -0.801 121.810 122.820 -0.349 0.000 2.303 369 A HA 0.142 4.462 4.320 -0.000 0.000 0.217 369 A C 0.917 178.280 177.584 -0.369 0.000 1.205 369 A CA -0.262 51.439 52.037 -0.560 0.000 0.875 369 A CB 0.060 18.715 19.000 -0.576 0.000 0.910 369 A HN 0.123 nan 8.150 nan 0.000 0.501 370 R N 1.349 121.656 120.500 -0.322 0.000 2.421 370 R HA 0.235 4.575 4.340 -0.000 0.000 0.305 370 R C -0.681 175.445 176.300 -0.289 0.000 1.039 370 R CA 0.399 56.271 56.100 -0.380 0.000 1.003 370 R CB 0.172 30.085 30.300 -0.645 0.000 0.959 370 R HN 0.425 nan 8.270 nan 0.000 0.427 371 E N 4.130 124.195 120.200 -0.225 0.000 2.466 371 E HA 0.059 4.409 4.350 -0.000 0.000 0.308 371 E C -0.661 175.891 176.600 -0.081 0.000 0.933 371 E CA -0.458 55.858 56.400 -0.140 0.000 0.800 371 E CB 0.558 30.174 29.700 -0.139 0.000 1.434 371 E HN 0.359 nan 8.360 nan 0.000 0.389 372 L N 2.950 124.148 121.223 -0.041 0.000 7.357 372 L HA -0.367 3.973 4.340 -0.000 0.000 0.053 372 L C -0.018 176.845 176.870 -0.012 0.000 1.534 372 L CA 2.010 56.862 54.840 0.020 0.000 1.544 372 L CB -1.045 41.052 42.059 0.063 0.000 2.835 372 L HN 0.805 nan 8.230 nan 0.000 1.139 373 Y N -0.302 119.988 120.300 -0.016 0.000 2.478 373 Y HA 0.353 4.903 4.550 -0.000 0.000 0.261 373 Y C 1.111 176.971 175.900 -0.066 0.000 1.127 373 Y CA 0.817 58.946 58.100 0.048 0.000 1.288 373 Y CB 0.405 38.936 38.460 0.118 0.000 1.084 373 Y HN 0.411 nan 8.280 nan 0.000 0.530 374 S N -1.124 114.586 115.700 0.016 0.000 2.715 374 S HA 0.446 4.916 4.470 -0.000 0.000 0.307 374 S C -0.900 173.623 174.600 -0.127 0.000 1.119 374 S CA -0.810 57.382 58.200 -0.014 0.000 0.937 374 S CB 1.936 65.156 63.200 0.032 0.000 1.150 374 S HN -0.247 nan 8.310 nan 0.000 0.521 375 V N 2.936 122.787 119.914 -0.105 0.000 2.313 375 V HA 0.242 4.362 4.120 -0.000 0.000 0.252 375 V C 0.044 176.051 176.094 -0.145 0.000 1.112 375 V CA -0.526 61.682 62.300 -0.153 0.000 0.984 375 V CB -0.675 31.074 31.823 -0.123 0.000 1.157 375 V HN 0.717 nan 8.190 nan 0.000 0.493 376 N N 4.094 122.692 118.700 -0.171 0.000 2.415 376 N HA 0.212 4.952 4.740 -0.000 0.000 0.246 376 N C 0.657 176.031 175.510 -0.227 0.000 1.078 376 N CA -0.370 52.582 53.050 -0.162 0.000 0.942 376 N CB 1.147 39.555 38.487 -0.133 0.000 1.140 376 N HN 0.545 nan 8.380 nan 0.000 0.501 377 M N 3.408 122.892 119.600 -0.194 0.000 2.722 377 M HA 0.180 4.660 4.480 -0.000 0.000 0.238 377 M C 0.163 176.406 176.300 -0.095 0.000 1.098 377 M CA 0.540 55.729 55.300 -0.184 0.000 1.062 377 M CB -0.192 32.295 32.600 -0.188 0.000 1.573 377 M HN 0.511 nan 8.290 nan 0.000 0.531 378 L N 0.472 121.628 121.223 -0.112 0.000 3.017 378 L HA 0.293 4.633 4.340 -0.000 0.000 0.255 378 L C 0.466 177.288 176.870 -0.081 0.000 1.247 378 L CA -0.214 54.585 54.840 -0.069 0.000 1.038 378 L CB -0.714 41.309 42.059 -0.059 0.000 1.380 378 L HN 0.305 nan 8.230 nan 0.000 0.548 379 N N -2.581 116.029 118.700 -0.150 0.000 2.317 379 N HA -0.008 4.732 4.740 -0.000 0.000 0.245 379 N C 0.591 176.064 175.510 -0.062 0.000 1.294 379 N CA 0.185 53.145 53.050 -0.150 0.000 0.924 379 N CB 0.470 38.791 38.487 -0.277 0.000 1.186 379 N HN -0.076 nan 8.380 nan 0.000 0.495 380 T N -0.113 114.428 114.554 -0.022 0.000 2.777 380 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 380 T C 1.378 176.143 174.700 0.109 0.000 1.040 380 T CA 0.952 63.073 62.100 0.035 0.000 1.141 380 T CB -0.480 68.410 68.868 0.036 0.000 0.868 380 T HN 0.542 nan 8.240 nan 0.000 0.444 381 F N 0.945 120.873 119.950 -0.037 0.000 2.075 381 F HA -0.144 4.383 4.527 -0.000 0.000 0.297 381 F C 1.881 177.803 175.800 0.204 0.000 1.113 381 F CA 1.272 59.293 58.000 0.035 0.000 1.218 381 F CB -0.228 38.752 39.000 -0.034 0.000 0.984 381 F HN 0.045 nan 8.300 nan 0.000 0.472 382 F N 1.215 120.928 119.950 -0.394 0.000 2.161 382 F HA -0.196 4.331 4.527 -0.000 0.000 0.300 382 F C 2.306 177.974 175.800 -0.220 0.000 1.089 382 F CA 0.939 58.670 58.000 -0.449 0.000 1.282 382 F CB -1.224 37.584 39.000 -0.320 0.000 1.010 382 F HN 0.078 nan 8.300 nan 0.000 0.485 383 I N -0.449 120.163 120.570 0.070 0.000 2.163 383 I HA -0.265 3.905 4.170 -0.000 0.000 0.240 383 I C 2.634 178.773 176.117 0.037 0.000 1.081 383 I CA 1.167 62.494 61.300 0.044 0.000 1.353 383 I CB -0.823 37.196 38.000 0.031 0.000 1.054 383 I HN 0.021 nan 8.210 nan 0.000 0.407 384 A N 0.866 123.714 122.820 0.047 0.000 1.917 384 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 384 A C 2.258 179.869 177.584 0.045 0.000 1.182 384 A CA 1.816 53.891 52.037 0.063 0.000 0.633 384 A CB -0.869 18.196 19.000 0.109 0.000 0.819 384 A HN 0.425 nan 8.150 nan 0.000 0.448 385 L N -0.350 120.861 121.223 -0.021 0.000 2.093 385 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 385 L C 2.395 179.268 176.870 0.004 0.000 1.085 385 L CA 2.592 57.399 54.840 -0.054 0.000 0.755 385 L CB -0.803 41.094 42.059 -0.270 0.000 0.904 385 L HN 0.588 nan 8.230 nan 0.000 0.435 386 Q N -0.670 119.150 119.800 0.033 0.000 2.084 386 Q HA -0.258 4.082 4.340 -0.000 0.000 0.202 386 Q C 1.936 177.987 176.000 0.085 0.000 0.978 386 Q CA 1.888 57.747 55.803 0.092 0.000 0.844 386 Q CB -0.015 28.791 28.738 0.114 0.000 0.898 386 Q HN 0.809 nan 8.270 nan 0.000 0.426 387 Q N -0.052 119.786 119.800 0.064 0.000 2.425 387 Q HA 0.073 4.413 4.340 -0.000 0.000 0.204 387 Q C -0.412 175.623 176.000 0.058 0.000 0.933 387 Q CA 0.478 56.317 55.803 0.060 0.000 0.939 387 Q CB -0.009 28.759 28.738 0.048 0.000 1.044 387 Q HN 0.141 nan 8.270 nan 0.000 0.513 388 D N 1.280 121.716 120.400 0.060 0.000 2.417 388 D HA 0.070 4.710 4.640 -0.000 0.000 0.250 388 D C -1.615 174.721 176.300 0.059 0.000 1.166 388 D CA -1.741 52.298 54.000 0.065 0.000 0.881 388 D CB 1.181 42.027 40.800 0.076 0.000 1.164 388 D HN -0.067 nan 8.370 nan 0.000 0.467 389 P HA -0.115 nan 4.420 nan 0.000 0.215 389 P C 1.185 178.513 177.300 0.046 0.000 1.157 389 P CA 1.032 64.160 63.100 0.047 0.000 0.868 389 P CB 0.212 31.940 31.700 0.046 0.000 0.788 390 I N -1.310 119.297 120.570 0.062 0.000 2.141 390 I HA -0.164 4.006 4.170 -0.000 0.000 0.236 390 I C 2.076 178.234 176.117 0.069 0.000 1.071 390 I CA 1.184 62.524 61.300 0.066 0.000 1.345 390 I CB -0.749 37.308 38.000 0.095 0.000 1.066 390 I HN -0.201 nan 8.210 nan 0.000 0.406 391 L N 0.057 121.333 121.223 0.089 0.000 2.633 391 L HA -0.107 4.233 4.340 -0.000 0.000 0.235 391 L C 2.412 179.308 176.870 0.043 0.000 1.163 391 L CA 0.427 55.324 54.840 0.094 0.000 0.859 391 L CB -0.643 41.473 42.059 0.095 0.000 0.973 391 L HN 0.241 nan 8.230 nan 0.000 0.451 392 S N -0.370 115.349 115.700 0.032 0.000 2.481 392 S HA -0.102 4.368 4.470 -0.000 0.000 0.231 392 S C 1.822 176.411 174.600 -0.019 0.000 0.996 392 S CA 0.915 59.122 58.200 0.012 0.000 0.942 392 S CB 0.104 63.319 63.200 0.026 0.000 0.768 392 S HN 0.439 nan 8.310 nan 0.000 0.520 393 Q N 0.545 120.336 119.800 -0.016 0.000 2.317 393 Q HA 0.277 4.617 4.340 -0.000 0.000 0.220 393 Q C 0.791 176.760 176.000 -0.053 0.000 0.873 393 Q CA 0.168 55.947 55.803 -0.041 0.000 0.936 393 Q CB 0.298 29.014 28.738 -0.037 0.000 1.105 393 Q HN 0.606 nan 8.270 nan 0.000 0.520 394 V N -1.182 118.715 119.914 -0.028 0.000 3.170 394 V HA 0.412 4.532 4.120 -0.000 0.000 0.309 394 V C 0.152 176.208 176.094 -0.063 0.000 1.071 394 V CA -1.010 61.270 62.300 -0.033 0.000 1.063 394 V CB 1.028 32.879 31.823 0.046 0.000 1.123 394 V HN -0.083 nan 8.190 nan 0.000 0.464 395 K N 1.948 122.299 120.400 -0.082 0.000 2.174 395 K HA 0.594 4.914 4.320 -0.000 0.000 0.275 395 K C -1.027 175.518 176.600 -0.091 0.000 1.015 395 K CA -0.321 55.906 56.287 -0.100 0.000 0.933 395 K CB 1.138 33.579 32.500 -0.099 0.000 1.025 395 K HN 0.595 nan 8.250 nan 0.000 0.463 396 L N 5.382 126.474 121.223 -0.217 0.000 2.401 396 L HA 0.449 4.788 4.340 -0.000 0.000 0.263 396 L C -0.472 176.176 176.870 -0.371 0.000 1.004 396 L CA -0.501 54.096 54.840 -0.404 0.000 0.881 396 L CB 0.627 42.030 42.059 -1.093 0.000 1.219 396 L HN 0.478 nan 8.230 nan 0.000 0.441 397 I N 2.006 122.517 120.570 -0.098 0.000 2.676 397 I HA 0.778 4.948 4.170 -0.000 0.000 0.309 397 I C 0.291 176.444 176.117 0.060 0.000 0.990 397 I CA -0.510 60.795 61.300 0.009 0.000 1.168 397 I CB 2.030 40.091 38.000 0.101 0.000 1.343 397 I HN 0.593 nan 8.210 nan 0.000 0.482 398 A N 3.185 125.975 122.820 -0.050 0.000 2.427 398 A HA 0.404 4.724 4.320 -0.000 0.000 0.298 398 A C -0.739 176.540 177.584 -0.508 0.000 1.036 398 A CA -0.554 51.343 52.037 -0.233 0.000 0.701 398 A CB 1.112 19.690 19.000 -0.703 0.000 1.250 398 A HN 0.740 nan 8.150 nan 0.000 0.412 399 E N 3.553 123.362 120.200 -0.652 0.000 2.161 399 E HA 0.152 4.502 4.350 -0.000 0.000 0.263 399 E C -1.861 174.290 176.600 -0.748 0.000 1.185 399 E CA -1.684 54.157 56.400 -0.932 0.000 0.938 399 E CB 0.512 29.634 29.700 -0.962 0.000 1.023 399 E HN 0.340 nan 8.360 nan 0.000 0.433 400 P HA 0.061 nan 4.420 nan 0.000 0.220 400 P C -1.470 176.015 177.300 0.308 0.000 1.778 400 P CA 0.016 63.195 63.100 0.132 0.000 0.912 400 P CB -0.842 30.999 31.700 0.234 0.000 1.861 401 W N 0.084 121.485 121.300 0.169 0.000 3.073 401 W HA 0.464 5.124 4.660 -0.000 0.000 0.347 401 W C -1.802 174.791 176.519 0.122 0.000 1.059 401 W CA -0.832 56.570 57.345 0.094 0.000 1.075 401 W CB -0.104 29.361 29.460 0.009 0.000 1.467 401 W HN -0.102 nan 8.180 nan 0.000 0.555 402 D N -0.672 120.020 120.400 0.486 0.000 2.744 402 D HA 0.384 5.024 4.640 -0.000 0.000 0.304 402 D C 0.555 177.083 176.300 0.380 0.000 1.179 402 D CA -0.171 54.066 54.000 0.395 0.000 1.024 402 D CB 1.100 42.059 40.800 0.266 0.000 1.453 402 D HN 1.096 nan 8.370 nan 0.000 0.529 403 V N -2.385 117.695 119.914 0.277 0.000 3.510 403 V HA 0.320 4.440 4.120 -0.000 0.000 0.270 403 V C 0.934 177.138 176.094 0.183 0.000 1.201 403 V CA 0.959 63.375 62.300 0.194 0.000 1.166 403 V CB -0.989 30.905 31.823 0.119 0.000 0.825 403 V HN 0.594 nan 8.190 nan 0.000 0.484 404 G N -0.328 108.629 108.800 0.262 0.000 2.588 404 G HA2 0.275 4.235 3.960 -0.000 0.000 0.278 404 G HA3 0.275 4.235 3.960 -0.000 0.000 0.278 404 G C -0.453 174.599 174.900 0.253 0.000 1.307 404 G CA -0.456 44.838 45.100 0.323 0.000 1.016 404 G HN 0.346 nan 8.290 nan 0.000 0.503 405 Q N -0.018 119.948 119.800 0.277 0.000 2.295 405 Q HA 0.360 4.700 4.340 -0.000 0.000 0.259 405 Q C 0.988 177.108 176.000 0.201 0.000 0.976 405 Q CA 0.770 56.697 55.803 0.206 0.000 0.923 405 Q CB 0.655 29.510 28.738 0.195 0.000 1.185 405 Q HN 1.253 nan 8.270 nan 0.000 0.410 406 G N 3.353 112.246 108.800 0.155 0.000 2.198 406 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.260 406 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.260 406 G C 0.660 175.662 174.900 0.170 0.000 1.025 406 G CA 0.378 45.564 45.100 0.143 0.000 0.769 406 G HN 0.785 nan 8.290 nan 0.000 0.507 407 G N -0.802 108.126 108.800 0.215 0.000 2.494 407 G HA2 0.147 4.107 3.960 -0.000 0.000 0.216 407 G HA3 0.147 4.107 3.960 -0.000 0.000 0.216 407 G C 0.751 175.825 174.900 0.290 0.000 1.140 407 G CA 0.444 45.683 45.100 0.232 0.000 0.801 407 G HN 0.718 nan 8.290 nan 0.000 0.536 408 Y N 1.986 122.400 120.300 0.190 0.000 2.834 408 Y HA 0.056 4.606 4.550 -0.000 0.000 0.355 408 Y C 0.809 176.834 175.900 0.208 0.000 1.287 408 Y CA 0.480 58.710 58.100 0.216 0.000 1.647 408 Y CB 0.527 39.039 38.460 0.087 0.000 1.221 408 Y HN 0.084 nan 8.280 nan 0.000 0.519 409 Q N 4.680 124.528 119.800 0.080 0.000 2.115 409 Q HA 0.167 4.506 4.340 -0.000 0.000 0.249 409 Q C -0.408 175.671 176.000 0.132 0.000 0.830 409 Q CA -0.220 55.641 55.803 0.096 0.000 1.104 409 Q CB 0.446 29.198 28.738 0.024 0.000 1.207 409 Q HN 0.438 nan 8.270 nan 0.000 0.464 410 V N 0.981 120.880 119.914 -0.025 0.000 2.506 410 V HA 0.073 4.192 4.120 -0.000 0.000 0.296 410 V C 1.471 177.646 176.094 0.136 0.000 1.004 410 V CA 1.865 64.218 62.300 0.089 0.000 1.150 410 V CB 0.075 31.894 31.823 -0.006 0.000 0.911 410 V HN 0.786 nan 8.190 nan 0.000 0.476 411 G N 4.205 113.145 108.800 0.233 0.000 2.195 411 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.246 411 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.246 411 G C 0.584 175.602 174.900 0.197 0.000 0.984 411 G CA 0.454 45.647 45.100 0.154 0.000 0.633 411 G HN 0.691 nan 8.290 nan 0.000 0.525 412 N N -0.517 118.285 118.700 0.170 0.000 2.336 412 N HA 0.272 5.012 4.740 -0.000 0.000 0.189 412 N C 0.142 175.633 175.510 -0.032 0.000 1.113 412 N CA -0.389 52.684 53.050 0.040 0.000 0.858 412 N CB 0.139 38.601 38.487 -0.041 0.000 0.970 412 N HN 0.362 nan 8.380 nan 0.000 0.471 413 F N 1.784 121.712 119.950 -0.036 0.000 2.418 413 F HA 0.206 4.733 4.527 -0.000 0.000 0.341 413 F C -1.594 174.097 175.800 -0.181 0.000 1.120 413 F CA -2.042 55.821 58.000 -0.228 0.000 1.232 413 F CB 0.362 39.219 39.000 -0.239 0.000 1.175 413 F HN -0.136 nan 8.300 nan 0.000 0.569 414 P HA -0.082 nan 4.420 nan 0.000 0.271 414 P C -0.994 176.512 177.300 0.344 0.000 1.233 414 P CA 0.152 63.239 63.100 -0.023 0.000 0.795 414 P CB 0.116 31.702 31.700 -0.189 0.000 0.936 415 Y N -0.208 120.196 120.300 0.174 0.000 2.334 415 Y HA 0.205 4.755 4.550 -0.000 0.000 0.325 415 Y C 1.748 177.775 175.900 0.211 0.000 1.308 415 Y CA -0.907 57.303 58.100 0.182 0.000 1.389 415 Y CB 0.636 39.160 38.460 0.108 0.000 1.328 415 Y HN 0.630 nan 8.280 nan 0.000 0.532 416 Q N -0.861 118.843 119.800 -0.161 0.000 2.374 416 Q HA -0.300 4.040 4.340 -0.000 0.000 0.154 416 Q C -1.234 174.751 176.000 -0.023 0.000 1.717 416 Q CA 1.697 57.390 55.803 -0.183 0.000 1.142 416 Q CB -1.949 26.603 28.738 -0.310 0.000 1.099 416 Q HN 0.777 nan 8.270 nan 0.000 0.912 417 W N 1.943 123.228 121.300 -0.025 0.000 2.322 417 W HA 0.519 5.179 4.660 -0.000 0.000 0.328 417 W C 0.897 177.395 176.519 -0.035 0.000 1.395 417 W CA 0.886 58.208 57.345 -0.039 0.000 1.267 417 W CB 0.372 29.823 29.460 -0.015 0.000 1.259 417 W HN 0.417 nan 8.180 nan 0.000 0.560 418 A N 3.184 126.070 122.820 0.109 0.000 2.281 418 A HA 0.725 5.044 4.320 -0.000 0.000 0.329 418 A C -0.757 176.858 177.584 0.050 0.000 1.122 418 A CA -0.770 51.296 52.037 0.047 0.000 0.850 418 A CB 0.987 20.006 19.000 0.032 0.000 1.207 418 A HN 0.629 nan 8.150 nan 0.000 0.495 419 E N 0.041 120.251 120.200 0.016 0.000 2.224 419 E HA 0.241 4.591 4.350 -0.000 0.000 0.265 419 E C -1.678 175.088 176.600 0.277 0.000 0.878 419 E CA -0.523 55.954 56.400 0.127 0.000 0.759 419 E CB 1.129 31.015 29.700 0.311 0.000 1.164 419 E HN 0.597 nan 8.360 nan 0.000 0.414 420 W N 2.942 124.243 121.300 0.002 0.000 2.611 420 W HA -0.072 4.588 4.660 -0.000 0.000 0.346 420 W C 0.790 177.560 176.519 0.418 0.000 1.365 420 W CA 0.110 57.537 57.345 0.136 0.000 1.313 420 W CB -0.326 29.110 29.460 -0.040 0.000 1.351 420 W HN 0.322 nan 8.180 nan 0.000 0.576 421 N N 2.887 121.975 118.700 0.646 0.000 2.555 421 N HA 0.090 4.830 4.740 -0.000 0.000 0.244 421 N C 1.265 177.093 175.510 0.531 0.000 1.114 421 N CA 0.455 53.858 53.050 0.588 0.000 0.963 421 N CB 0.672 39.436 38.487 0.462 0.000 1.276 421 N HN 0.547 nan 8.380 nan 0.000 0.510 422 G N 2.595 111.763 108.800 0.612 0.000 2.443 422 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.219 422 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.219 422 G C 1.452 176.495 174.900 0.238 0.000 1.131 422 G CA 0.549 45.924 45.100 0.458 0.000 0.775 422 G HN 0.485 nan 8.290 nan 0.000 0.547 423 K N -0.802 119.750 120.400 0.253 0.000 2.062 423 K HA -0.027 4.292 4.320 -0.000 0.000 0.205 423 K C 2.056 178.718 176.600 0.103 0.000 1.051 423 K CA 0.862 57.238 56.287 0.149 0.000 0.941 423 K CB -0.329 32.259 32.500 0.147 0.000 0.719 423 K HN 0.382 nan 8.250 nan 0.000 0.440 424 Y N 2.157 122.486 120.300 0.047 0.000 2.030 424 Y HA -0.363 4.187 4.550 -0.000 0.000 0.274 424 Y C 2.601 178.461 175.900 -0.068 0.000 1.153 424 Y CA 1.678 59.781 58.100 0.005 0.000 1.115 424 Y CB -0.099 38.388 38.460 0.044 0.000 0.969 424 Y HN -0.051 nan 8.280 nan 0.000 0.488 425 R N 0.622 121.174 120.500 0.087 0.000 2.159 425 R HA -0.264 4.076 4.340 -0.000 0.000 0.249 425 R C 1.606 177.878 176.300 -0.046 0.000 1.136 425 R CA 2.631 58.653 56.100 -0.131 0.000 0.951 425 R CB -0.892 29.163 30.300 -0.408 0.000 0.876 425 R HN 0.497 nan 8.270 nan 0.000 0.440 426 D N -0.490 119.886 120.400 -0.041 0.000 2.085 426 D HA -0.037 4.603 4.640 -0.000 0.000 0.199 426 D C 2.075 178.240 176.300 -0.226 0.000 0.981 426 D CA 1.406 55.326 54.000 -0.133 0.000 0.834 426 D CB -0.511 40.196 40.800 -0.156 0.000 0.992 426 D HN 0.154 nan 8.370 nan 0.000 0.457 427 S N 0.610 116.192 115.700 -0.197 0.000 2.372 427 S HA -0.178 4.292 4.470 -0.000 0.000 0.227 427 S C 2.039 176.554 174.600 -0.142 0.000 1.044 427 S CA 0.850 58.924 58.200 -0.210 0.000 1.050 427 S CB -0.262 62.801 63.200 -0.228 0.000 0.901 427 S HN 0.135 nan 8.310 nan 0.000 0.447 428 I N 1.230 121.711 120.570 -0.149 0.000 2.252 428 I HA -0.079 4.091 4.170 -0.000 0.000 0.245 428 I C 2.454 178.847 176.117 0.460 0.000 1.102 428 I CA 1.141 62.484 61.300 0.071 0.000 1.385 428 I CB -0.458 37.513 38.000 -0.049 0.000 1.064 428 I HN 0.131 nan 8.210 nan 0.000 0.414 429 R N 0.137 120.853 120.500 0.359 0.000 2.096 429 R HA -0.185 4.155 4.340 -0.000 0.000 0.240 429 R C 2.434 178.954 176.300 0.367 0.000 1.139 429 R CA 1.718 58.106 56.100 0.480 0.000 0.952 429 R CB -0.263 30.197 30.300 0.267 0.000 0.854 429 R HN 0.349 nan 8.270 nan 0.000 0.436 430 R N -0.874 119.689 120.500 0.104 0.000 2.090 430 R HA -0.101 4.239 4.340 -0.000 0.000 0.228 430 R C 2.132 178.443 176.300 0.018 0.000 1.110 430 R CA 1.094 57.203 56.100 0.014 0.000 0.973 430 R CB -0.400 29.792 30.300 -0.180 0.000 0.869 430 R HN 0.171 nan 8.270 nan 0.000 0.440 431 F N 0.384 120.247 119.950 -0.146 0.000 2.043 431 F HA -0.235 4.292 4.527 -0.000 0.000 0.297 431 F C 1.381 176.969 175.800 -0.353 0.000 1.121 431 F CA 1.496 59.308 58.000 -0.314 0.000 1.199 431 F CB -0.381 38.343 39.000 -0.459 0.000 0.968 431 F HN -0.024 nan 8.300 nan 0.000 0.478 432 W N 0.387 121.537 121.300 -0.250 0.000 2.800 432 W HA 0.104 4.764 4.660 0.000 0.000 0.249 432 W C 2.531 178.826 176.519 -0.372 0.000 1.294 432 W CA 0.562 57.627 57.345 -0.465 0.000 1.402 432 W CB -0.350 28.733 29.460 -0.630 0.000 1.126 432 W HN -0.079 nan 8.180 nan 0.000 0.652 433 R N 0.252 120.737 120.500 -0.025 0.000 2.193 433 R HA 0.089 4.429 4.340 -0.000 0.000 0.213 433 R C 1.537 177.619 176.300 -0.363 0.000 1.055 433 R CA 1.584 57.626 56.100 -0.097 0.000 0.995 433 R CB -0.086 30.286 30.300 0.120 0.000 0.893 433 R HN 0.261 nan 8.270 nan 0.000 0.459 434 G N 0.266 108.861 108.800 -0.342 0.000 3.753 434 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.196 434 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.196 434 G C -0.589 174.155 174.900 -0.259 0.000 1.538 434 G CA -0.214 44.673 45.100 -0.355 0.000 1.040 434 G HN 0.388 nan 8.290 nan 0.000 0.427 435 E N 1.244 121.345 120.200 -0.164 0.000 2.696 435 E HA 0.326 4.676 4.350 -0.000 0.000 0.270 435 E C 0.441 176.967 176.600 -0.123 0.000 0.958 435 E CA 0.622 56.957 56.400 -0.109 0.000 0.964 435 E CB 0.538 30.200 29.700 -0.063 0.000 0.948 435 E HN 0.879 nan 8.360 nan 0.000 0.472 436 A N 3.884 126.648 122.820 -0.093 0.000 2.256 436 A HA 0.436 4.756 4.320 -0.000 0.000 0.317 436 A C -0.995 176.553 177.584 -0.061 0.000 1.318 436 A CA -0.650 51.344 52.037 -0.072 0.000 0.894 436 A CB 0.245 19.201 19.000 -0.073 0.000 1.165 436 A HN 0.316 nan 8.150 nan 0.000 0.525 437 L N 3.012 124.203 121.223 -0.054 0.000 2.387 437 L HA 0.516 4.856 4.340 -0.000 0.000 0.266 437 L C -2.241 174.545 176.870 -0.140 0.000 1.059 437 L CA -2.022 52.753 54.840 -0.109 0.000 0.801 437 L CB 0.299 42.269 42.059 -0.148 0.000 1.223 437 L HN 0.353 nan 8.230 nan 0.000 0.456 438 P HA -0.080 nan 4.420 nan 0.000 0.261 438 P C 0.237 177.330 177.300 -0.345 0.000 1.183 438 P CA 0.248 63.215 63.100 -0.221 0.000 0.761 438 P CB 0.090 31.650 31.700 -0.232 0.000 0.785 439 Y N 3.355 123.369 120.300 -0.477 0.000 2.283 439 Y HA -0.310 4.240 4.550 0.000 0.000 0.285 439 Y C 2.477 177.702 175.900 -1.125 0.000 1.176 439 Y CA 2.378 60.085 58.100 -0.654 0.000 1.229 439 Y CB -0.325 37.815 38.460 -0.534 0.000 0.975 439 Y HN 0.330 nan 8.280 nan 0.000 0.537 440 S N -0.674 114.322 115.700 -1.174 0.000 2.371 440 S HA -0.197 4.273 4.470 -0.000 0.000 0.224 440 S C 1.995 176.156 174.600 -0.731 0.000 1.029 440 S CA 1.313 58.688 58.200 -1.375 0.000 0.978 440 S CB -0.405 62.251 63.200 -0.908 0.000 0.833 440 S HN 0.619 nan 8.310 nan 0.000 0.466 441 E N 1.539 121.421 120.200 -0.531 0.000 2.005 441 E HA -0.135 4.215 4.350 -0.000 0.000 0.198 441 E C 1.962 178.306 176.600 -0.427 0.000 1.010 441 E CA 2.071 58.246 56.400 -0.374 0.000 0.825 441 E CB -0.522 28.997 29.700 -0.301 0.000 0.769 441 E HN 0.519 nan 8.360 nan 0.000 0.456 442 I N 1.191 121.432 120.570 -0.549 0.000 2.208 442 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 442 I C 2.488 178.245 176.117 -0.601 0.000 1.097 442 I CA 1.528 62.450 61.300 -0.630 0.000 1.363 442 I CB -2.065 35.390 38.000 -0.908 0.000 1.051 442 I HN 0.247 nan 8.210 nan 0.000 0.413 443 A N 1.445 123.796 122.820 -0.782 0.000 1.917 443 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 443 A C 2.213 179.615 177.584 -0.303 0.000 1.182 443 A CA 2.294 53.885 52.037 -0.744 0.000 0.633 443 A CB -1.176 17.080 19.000 -1.240 0.000 0.819 443 A HN 0.582 nan 8.150 nan 0.000 0.448 444 N N -0.981 117.576 118.700 -0.239 0.000 2.142 444 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 444 N C 1.798 177.325 175.510 0.028 0.000 1.023 444 N CA 0.883 53.904 53.050 -0.048 0.000 0.852 444 N CB -0.162 38.295 38.487 -0.049 0.000 0.998 444 N HN 0.295 nan 8.380 nan 0.000 0.424 445 R N 1.167 121.652 120.500 -0.026 0.000 2.139 445 R HA -0.097 4.243 4.340 -0.000 0.000 0.243 445 R C 2.002 178.450 176.300 0.247 0.000 1.145 445 R CA 0.853 57.024 56.100 0.118 0.000 0.976 445 R CB -0.916 29.307 30.300 -0.128 0.000 0.866 445 R HN 0.397 nan 8.270 nan 0.000 0.449 446 L N -0.283 120.990 121.223 0.084 0.000 2.307 446 L HA 0.010 4.350 4.340 -0.000 0.000 0.211 446 L C 1.037 178.035 176.870 0.213 0.000 1.099 446 L CA 0.122 55.034 54.840 0.120 0.000 0.816 446 L CB -0.148 41.819 42.059 -0.153 0.000 0.952 446 L HN 0.007 nan 8.230 nan 0.000 0.455 447 L N 0.472 121.829 121.223 0.224 0.000 2.672 447 L HA 0.268 4.608 4.340 -0.000 0.000 0.236 447 L C 1.390 178.535 176.870 0.458 0.000 1.186 447 L CA 0.555 55.612 54.840 0.360 0.000 0.977 447 L CB -1.039 41.226 42.059 0.343 0.000 1.203 447 L HN 0.360 nan 8.230 nan 0.000 0.448 448 G N -1.150 107.897 108.800 0.411 0.000 2.143 448 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.249 448 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.249 448 G C 0.686 175.866 174.900 0.467 0.000 0.981 448 G CA 0.207 45.580 45.100 0.454 0.000 0.665 448 G HN 0.256 nan 8.290 nan 0.000 0.528 449 S N -1.240 114.654 115.700 0.324 0.000 3.791 449 S HA -0.149 4.321 4.470 -0.000 0.000 0.393 449 S C -0.592 174.097 174.600 0.149 0.000 0.936 449 S CA 0.841 59.182 58.200 0.235 0.000 1.234 449 S CB -0.692 62.707 63.200 0.332 0.000 0.891 449 S HN 0.558 nan 8.310 nan 0.000 0.519 450 P HA -0.104 nan 4.420 nan 0.000 0.218 450 P C 1.435 178.630 177.300 -0.174 0.000 1.149 450 P CA 1.313 64.129 63.100 -0.473 0.000 0.817 450 P CB -0.072 31.142 31.700 -0.810 0.000 0.785 451 D N -1.328 119.019 120.400 -0.088 0.000 2.403 451 D HA -0.125 4.515 4.640 -0.000 0.000 0.227 451 D C 1.208 177.474 176.300 -0.057 0.000 0.995 451 D CA 0.929 54.899 54.000 -0.050 0.000 0.928 451 D CB -0.228 40.559 40.800 -0.020 0.000 0.887 451 D HN 0.137 nan 8.370 nan 0.000 0.529 452 I N -0.868 119.650 120.570 -0.086 0.000 3.632 452 I HA -0.005 4.165 4.170 -0.000 0.000 0.246 452 I C 1.785 177.799 176.117 -0.171 0.000 1.125 452 I CA 0.152 61.326 61.300 -0.210 0.000 1.519 452 I CB -1.338 36.378 38.000 -0.473 0.000 1.555 452 I HN -0.116 nan 8.210 nan 0.000 0.452 453 Y N 0.724 121.096 120.300 0.120 0.000 2.544 453 Y HA 0.037 4.587 4.550 -0.000 0.000 0.286 453 Y C 2.183 178.174 175.900 0.152 0.000 1.141 453 Y CA 0.130 58.320 58.100 0.150 0.000 1.299 453 Y CB 0.029 38.599 38.460 0.184 0.000 1.030 453 Y HN 0.076 nan 8.280 nan 0.000 0.543 454 L N 0.061 121.414 121.223 0.216 0.000 2.156 454 L HA 0.085 4.425 4.340 -0.000 0.000 0.208 454 L C 2.220 179.158 176.870 0.113 0.000 1.095 454 L CA 1.730 56.672 54.840 0.169 0.000 0.770 454 L CB -1.048 40.982 42.059 -0.048 0.000 0.914 454 L HN 0.167 nan 8.230 nan 0.000 0.439 455 G N -0.678 108.166 108.800 0.074 0.000 2.443 455 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.219 455 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.219 455 G C 1.446 176.388 174.900 0.071 0.000 1.131 455 G CA 0.550 45.682 45.100 0.054 0.000 0.775 455 G HN 0.457 nan 8.290 nan 0.000 0.547 456 N N 0.338 119.101 118.700 0.105 0.000 2.270 456 N HA 0.005 4.745 4.740 -0.000 0.000 0.198 456 N C 0.517 176.101 175.510 0.123 0.000 1.117 456 N CA 0.215 53.330 53.050 0.109 0.000 0.845 456 N CB -0.209 38.359 38.487 0.136 0.000 0.980 456 N HN 0.467 nan 8.380 nan 0.000 0.486 457 N N -0.645 118.134 118.700 0.130 0.000 2.994 457 N HA -0.146 4.594 4.740 -0.000 0.000 0.221 457 N C -0.719 174.873 175.510 0.138 0.000 0.900 457 N CA 0.451 53.577 53.050 0.126 0.000 1.008 457 N CB -0.592 37.958 38.487 0.105 0.000 1.053 457 N HN 0.208 nan 8.380 nan 0.000 0.580 458 K N 1.362 121.861 120.400 0.165 0.000 2.120 458 K HA 0.275 4.595 4.320 -0.000 0.000 0.245 458 K C 0.969 177.566 176.600 -0.004 0.000 1.024 458 K CA 0.414 56.760 56.287 0.098 0.000 0.906 458 K CB 0.555 33.154 32.500 0.165 0.000 1.051 458 K HN 0.154 nan 8.250 nan 0.000 0.491 459 T N -2.536 111.825 114.554 -0.321 0.000 2.897 459 T HA 0.260 4.610 4.350 -0.000 0.000 0.278 459 T C -1.814 172.488 174.700 -0.663 0.000 0.981 459 T CA -1.796 59.919 62.100 -0.642 0.000 0.973 459 T CB 1.289 69.446 68.868 -1.185 0.000 1.092 459 T HN 0.300 nan 8.240 nan 0.000 0.543 460 P HA 0.025 nan 4.420 nan 0.000 0.223 460 P C 1.258 178.456 177.300 -0.170 0.000 1.151 460 P CA 0.805 63.641 63.100 -0.440 0.000 0.787 460 P CB -0.283 31.130 31.700 -0.478 0.000 0.788 461 F N -1.913 117.973 119.950 -0.106 0.000 2.776 461 F HA 0.570 5.097 4.527 -0.000 0.000 0.300 461 F C 1.970 177.711 175.800 -0.100 0.000 1.116 461 F CA 0.032 57.993 58.000 -0.065 0.000 1.375 461 F CB -1.130 37.840 39.000 -0.051 0.000 1.109 461 F HN -0.200 nan 8.300 nan 0.000 0.585 462 A N 0.202 122.809 122.820 -0.355 0.000 2.119 462 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 462 A C 1.494 178.834 177.584 -0.407 0.000 1.153 462 A CA 0.809 52.689 52.037 -0.260 0.000 0.692 462 A CB -0.730 18.074 19.000 -0.326 0.000 0.799 462 A HN 0.340 nan 8.150 nan 0.000 0.458 463 S N 0.135 115.569 115.700 -0.443 0.000 2.439 463 S HA 0.498 4.968 4.470 -0.000 0.000 0.282 463 S C -0.333 174.202 174.600 -0.110 0.000 1.170 463 S CA -0.479 57.471 58.200 -0.416 0.000 1.054 463 S CB -0.195 62.921 63.200 -0.141 0.000 0.956 463 S HN 0.268 nan 8.310 nan 0.000 0.490 464 I N 6.089 126.629 120.570 -0.051 0.000 2.287 464 I HA 0.218 4.388 4.170 -0.000 0.000 0.290 464 I C -0.134 175.960 176.117 -0.038 0.000 1.069 464 I CA -0.586 60.682 61.300 -0.053 0.000 1.237 464 I CB 0.454 38.404 38.000 -0.083 0.000 1.418 464 I HN 0.556 nan 8.210 nan 0.000 0.481 465 N N 7.102 125.699 118.700 -0.171 0.000 2.514 465 N HA 0.339 5.078 4.740 -0.000 0.000 0.277 465 N C -0.985 174.424 175.510 -0.169 0.000 1.126 465 N CA -0.059 52.725 53.050 -0.443 0.000 0.978 465 N CB 1.266 39.176 38.487 -0.962 0.000 1.106 465 N HN 0.433 nan 8.380 nan 0.000 0.461 466 Y N -2.842 117.288 120.300 -0.284 0.000 2.521 466 Y HA 0.351 4.901 4.550 -0.000 0.000 0.332 466 Y C 0.290 176.247 175.900 0.095 0.000 1.121 466 Y CA -1.272 56.751 58.100 -0.129 0.000 1.037 466 Y CB 0.225 38.510 38.460 -0.292 0.000 1.330 466 Y HN 0.122 nan 8.280 nan 0.000 0.452 467 V N -1.110 118.848 119.914 0.073 0.000 3.506 467 V HA 0.402 4.522 4.120 -0.000 0.000 0.263 467 V C 0.020 176.081 176.094 -0.053 0.000 1.203 467 V CA 1.256 63.533 62.300 -0.038 0.000 1.133 467 V CB 0.116 31.878 31.823 -0.103 0.000 0.802 467 V HN 0.833 nan 8.190 nan 0.000 0.459 468 T N 0.656 115.275 114.554 0.108 0.000 2.923 468 T HA 0.677 5.027 4.350 -0.000 0.000 0.311 468 T C -0.603 174.242 174.700 0.243 0.000 1.183 468 T CA 0.276 62.468 62.100 0.153 0.000 1.020 468 T CB 2.116 71.033 68.868 0.082 0.000 1.165 468 T HN 0.836 nan 8.240 nan 0.000 0.482 469 S N 0.737 116.571 115.700 0.224 0.000 2.819 469 S HA 0.416 4.886 4.470 -0.000 0.000 0.299 469 S C 0.996 175.684 174.600 0.146 0.000 1.192 469 S CA -0.627 57.667 58.200 0.156 0.000 0.847 469 S CB 0.636 63.921 63.200 0.141 0.000 1.224 469 S HN 0.899 nan 8.310 nan 0.000 0.537 470 H N 0.159 119.251 119.070 0.037 0.000 2.457 470 H HA 0.105 4.661 4.556 -0.000 0.000 0.294 470 H C -0.724 174.543 175.328 -0.101 0.000 1.064 470 H CA 0.891 56.872 56.048 -0.112 0.000 1.330 470 H CB -0.887 28.598 29.762 -0.462 0.000 1.395 470 H HN 0.520 nan 8.280 nan 0.000 0.541 471 D N 1.999 122.000 120.400 -0.664 0.000 2.358 471 D HA 0.333 4.973 4.640 -0.000 0.000 0.258 471 D C 1.194 177.525 176.300 0.051 0.000 1.223 471 D CA 1.465 55.334 54.000 -0.219 0.000 0.886 471 D CB 1.006 41.681 40.800 -0.208 0.000 1.120 471 D HN 0.705 nan 8.370 nan 0.000 0.482 472 G N 1.996 110.876 108.800 0.134 0.000 2.545 472 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 472 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 472 G C -0.227 174.751 174.900 0.131 0.000 1.314 472 G CA -0.936 44.180 45.100 0.026 0.000 0.906 472 G HN 0.422 nan 8.290 nan 0.000 0.563 473 F N 1.804 121.818 119.950 0.107 0.000 2.490 473 F HA 0.426 4.953 4.527 -0.000 0.000 0.336 473 F C 1.961 177.811 175.800 0.084 0.000 1.178 473 F CA 0.259 58.306 58.000 0.078 0.000 1.301 473 F CB 0.874 39.914 39.000 0.066 0.000 1.175 473 F HN 0.797 nan 8.300 nan 0.000 0.593 474 T N 0.150 114.875 114.554 0.285 0.000 2.770 474 T HA 0.108 4.458 4.350 -0.000 0.000 0.281 474 T C 0.804 175.566 174.700 0.103 0.000 0.981 474 T CA -0.805 61.389 62.100 0.157 0.000 0.955 474 T CB 0.903 69.827 68.868 0.094 0.000 1.060 474 T HN 0.525 nan 8.240 nan 0.000 0.531 475 L N 0.440 121.696 121.223 0.055 0.000 2.056 475 L HA 0.128 4.468 4.340 -0.000 0.000 0.207 475 L C 2.628 179.486 176.870 -0.020 0.000 1.078 475 L CA 2.149 56.998 54.840 0.015 0.000 0.749 475 L CB -1.332 40.762 42.059 0.058 0.000 0.901 475 L HN 0.934 nan 8.230 nan 0.000 0.433 476 E N -0.243 119.933 120.200 -0.041 0.000 2.077 476 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 476 E C 1.655 178.216 176.600 -0.066 0.000 0.989 476 E CA 1.758 58.108 56.400 -0.083 0.000 0.800 476 E CB -0.188 29.464 29.700 -0.081 0.000 0.746 476 E HN 0.535 nan 8.360 nan 0.000 0.452 477 D N -0.639 119.721 120.400 -0.066 0.000 2.289 477 D HA -0.059 4.581 4.640 -0.000 0.000 0.207 477 D C 1.601 177.695 176.300 -0.344 0.000 0.966 477 D CA 0.263 54.159 54.000 -0.172 0.000 0.868 477 D CB -0.111 40.478 40.800 -0.352 0.000 0.943 477 D HN 0.205 nan 8.370 nan 0.000 0.514 478 L N 0.730 121.896 121.223 -0.096 0.000 2.201 478 L HA -0.055 4.285 4.340 -0.000 0.000 0.212 478 L C 1.252 178.191 176.870 0.115 0.000 1.105 478 L CA 1.175 56.060 54.840 0.076 0.000 0.775 478 L CB -0.049 42.054 42.059 0.074 0.000 0.913 478 L HN 0.013 nan 8.230 nan 0.000 0.440 479 V N -4.317 115.627 119.914 0.049 0.000 2.887 479 V HA 0.482 4.602 4.120 -0.000 0.000 0.370 479 V C 0.800 176.833 176.094 -0.101 0.000 1.322 479 V CA 0.514 62.858 62.300 0.074 0.000 1.267 479 V CB -0.307 31.578 31.823 0.103 0.000 1.344 479 V HN 0.297 nan 8.190 nan 0.000 0.573 480 S N -1.025 114.570 115.700 -0.174 0.000 2.475 480 S HA 0.430 4.900 4.470 -0.000 0.000 0.270 480 S C -0.632 173.553 174.600 -0.692 0.000 1.026 480 S CA -0.040 57.933 58.200 -0.379 0.000 1.437 480 S CB 0.532 63.568 63.200 -0.273 0.000 1.215 480 S HN 0.644 nan 8.310 nan 0.000 0.648 481 Y N 1.255 121.360 120.300 -0.325 0.000 2.513 481 Y HA 0.498 5.048 4.550 -0.000 0.000 0.340 481 Y C 0.568 176.478 175.900 0.017 0.000 1.055 481 Y CA -1.178 56.794 58.100 -0.214 0.000 1.020 481 Y CB 1.134 39.373 38.460 -0.368 0.000 1.301 481 Y HN -0.099 nan 8.280 nan 0.000 0.453 482 N N 0.258 119.099 118.700 0.235 0.000 2.432 482 N HA 0.030 4.769 4.740 -0.000 0.000 0.174 482 N C -0.132 175.577 175.510 0.331 0.000 1.037 482 N CA 0.483 53.694 53.050 0.270 0.000 0.892 482 N CB 0.478 39.063 38.487 0.163 0.000 1.049 482 N HN 0.624 nan 8.380 nan 0.000 0.442 483 Q N 1.066 121.089 119.800 0.372 0.000 2.306 483 Q HA 0.310 4.650 4.340 -0.000 0.000 0.269 483 Q C -0.054 176.243 176.000 0.496 0.000 1.053 483 Q CA -0.577 55.414 55.803 0.314 0.000 0.879 483 Q CB 1.962 30.793 28.738 0.156 0.000 1.344 483 Q HN 0.179 nan 8.270 nan 0.000 0.464 484 K N -0.031 120.535 120.400 0.277 0.000 2.098 484 K HA 0.463 4.783 4.320 -0.000 0.000 0.261 484 K C -0.864 175.854 176.600 0.195 0.000 0.987 484 K CA -0.506 55.962 56.287 0.302 0.000 0.916 484 K CB 0.666 33.206 32.500 0.067 0.000 1.039 484 K HN 0.484 nan 8.250 nan 0.000 0.455 485 H N 1.410 120.526 119.070 0.075 0.000 2.348 485 H HA 0.239 4.795 4.556 -0.000 0.000 0.232 485 H C -0.796 174.547 175.328 0.024 0.000 1.419 485 H CA -0.808 55.264 56.048 0.041 0.000 1.416 485 H CB 0.286 30.060 29.762 0.021 0.000 1.510 485 H HN 0.663 nan 8.280 nan 0.000 0.507 486 N N 0.877 119.642 118.700 0.107 0.000 2.322 486 N HA -0.046 4.694 4.740 -0.000 0.000 0.194 486 N C 1.293 176.848 175.510 0.075 0.000 1.126 486 N CA 0.082 53.190 53.050 0.096 0.000 0.845 486 N CB 0.448 39.007 38.487 0.119 0.000 0.976 486 N HN 0.493 nan 8.380 nan 0.000 0.475 487 E N 1.465 121.697 120.200 0.053 0.000 2.200 487 E HA -0.231 4.119 4.350 -0.000 0.000 0.211 487 E C 1.679 178.271 176.600 -0.013 0.000 1.048 487 E CA 1.853 58.266 56.400 0.021 0.000 0.851 487 E CB -0.284 29.427 29.700 0.019 0.000 0.747 487 E HN 0.433 nan 8.360 nan 0.000 0.462 488 A N 0.510 123.319 122.820 -0.018 0.000 2.172 488 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 488 A C 1.439 178.958 177.584 -0.109 0.000 1.154 488 A CA 1.124 53.119 52.037 -0.069 0.000 0.701 488 A CB -0.244 18.709 19.000 -0.079 0.000 0.789 488 A HN 0.168 nan 8.150 nan 0.000 0.465 489 N N -0.253 118.409 118.700 -0.064 0.000 2.446 489 N HA 0.064 4.804 4.740 -0.000 0.000 0.179 489 N C 1.113 176.378 175.510 -0.408 0.000 1.054 489 N CA 1.005 54.007 53.050 -0.079 0.000 0.905 489 N CB -0.089 38.562 38.487 0.273 0.000 0.973 489 N HN 0.615 nan 8.380 nan 0.000 0.448 490 G N 0.732 109.344 108.800 -0.314 0.000 2.256 490 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.272 490 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.272 490 G C -0.245 174.289 174.900 -0.610 0.000 1.076 490 G CA -0.206 44.641 45.100 -0.422 0.000 0.882 490 G HN 0.328 nan 8.290 nan 0.000 0.497 491 F N -0.149 119.813 119.950 0.020 0.000 2.835 491 F HA 0.346 4.873 4.527 -0.000 0.000 0.342 491 F C 1.088 176.889 175.800 0.001 0.000 1.202 491 F CA -0.716 57.295 58.000 0.019 0.000 1.240 491 F CB -0.227 38.800 39.000 0.044 0.000 1.005 491 F HN 0.402 nan 8.300 nan 0.000 0.507 492 N N 2.467 121.224 118.700 0.094 0.000 2.678 492 N HA -0.384 4.356 4.740 -0.000 0.000 0.249 492 N C 0.486 176.034 175.510 0.063 0.000 1.119 492 N CA 0.927 54.010 53.050 0.056 0.000 0.718 492 N CB -0.800 37.713 38.487 0.043 0.000 1.060 492 N HN 0.717 nan 8.380 nan 0.000 0.552 493 N N -1.135 117.623 118.700 0.096 0.000 2.747 493 N HA -0.222 4.518 4.740 -0.000 0.000 0.249 493 N C 0.155 175.699 175.510 0.057 0.000 1.107 493 N CA 0.805 53.899 53.050 0.073 0.000 0.707 493 N CB -0.289 38.209 38.487 0.018 0.000 1.054 493 N HN 0.475 nan 8.380 nan 0.000 0.555 494 Q N 0.226 120.073 119.800 0.079 0.000 2.408 494 Q HA 0.013 4.353 4.340 -0.000 0.000 0.205 494 Q C 0.329 176.326 176.000 -0.004 0.000 0.919 494 Q CA 0.696 56.516 55.803 0.028 0.000 0.932 494 Q CB 0.177 28.930 28.738 0.024 0.000 1.058 494 Q HN 0.619 nan 8.270 nan 0.000 0.517 495 D N -0.242 120.169 120.400 0.018 0.000 2.340 495 D HA 0.399 5.039 4.640 -0.000 0.000 0.251 495 D C 0.465 176.769 176.300 0.007 0.000 1.080 495 D CA -0.051 53.930 54.000 -0.030 0.000 0.971 495 D CB 1.417 42.189 40.800 -0.048 0.000 1.137 495 D HN 0.065 nan 8.370 nan 0.000 0.475 496 G N 0.419 109.215 108.800 -0.008 0.000 2.767 496 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.686 496 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.686 496 G C 0.006 174.883 174.900 -0.038 0.000 1.213 496 G CA -0.617 44.484 45.100 0.002 0.000 0.803 496 G HN 0.444 nan 8.290 nan 0.000 0.603 497 M N 1.747 121.314 119.600 -0.054 0.000 2.252 497 M HA 0.055 4.535 4.480 -0.000 0.000 0.329 497 M C 1.549 177.779 176.300 -0.116 0.000 1.101 497 M CA 0.155 55.405 55.300 -0.083 0.000 1.117 497 M CB 0.157 32.703 32.600 -0.088 0.000 1.563 497 M HN 0.688 nan 8.290 nan 0.000 0.445 498 N N 0.959 119.594 118.700 -0.109 0.000 2.368 498 N HA -0.042 4.698 4.740 -0.000 0.000 0.178 498 N C -0.033 175.393 175.510 -0.140 0.000 1.021 498 N CA 0.481 53.470 53.050 -0.102 0.000 0.875 498 N CB 0.222 38.665 38.487 -0.072 0.000 1.020 498 N HN 0.546 nan 8.380 nan 0.000 0.433 499 E N 1.448 121.526 120.200 -0.204 0.000 2.070 499 E HA 0.148 4.498 4.350 -0.000 0.000 0.282 499 E C -0.463 175.871 176.600 -0.443 0.000 1.104 499 E CA 0.088 56.273 56.400 -0.357 0.000 0.876 499 E CB 0.138 29.551 29.700 -0.478 0.000 1.055 499 E HN 0.057 nan 8.360 nan 0.000 0.401 500 N N 3.001 121.513 118.700 -0.312 0.000 2.205 500 N HA 0.086 4.826 4.740 -0.000 0.000 0.201 500 N C -0.650 174.891 175.510 0.053 0.000 1.128 500 N CA -0.085 52.861 53.050 -0.173 0.000 0.867 500 N CB -0.038 38.329 38.487 -0.200 0.000 0.996 500 N HN 0.532 nan 8.380 nan 0.000 0.503 501 Y N -0.204 120.177 120.300 0.136 0.000 3.721 501 Y HA -0.321 4.229 4.550 -0.000 0.000 0.218 501 Y C 0.158 176.213 175.900 0.258 0.000 1.188 501 Y CA 0.248 58.449 58.100 0.168 0.000 1.607 501 Y CB -2.487 36.053 38.460 0.132 0.000 1.496 501 Y HN 0.071 nan 8.280 nan 0.000 0.626 502 S N -1.451 114.494 115.700 0.409 0.000 2.713 502 S HA 0.632 5.102 4.470 -0.000 0.000 0.283 502 S C -0.913 173.974 174.600 0.478 0.000 1.161 502 S CA -0.639 57.839 58.200 0.463 0.000 0.999 502 S CB 2.158 65.694 63.200 0.560 0.000 1.039 502 S HN 0.380 nan 8.310 nan 0.000 0.548 503 W N 2.422 123.846 121.300 0.206 0.000 2.802 503 W HA 0.386 5.046 4.660 0.000 0.000 0.331 503 W C -0.145 176.413 176.519 0.065 0.000 1.021 503 W CA -0.835 56.589 57.345 0.131 0.000 1.259 503 W CB 0.989 30.524 29.460 0.125 0.000 1.323 503 W HN 0.813 nan 8.180 nan 0.000 0.432 504 N N 3.085 121.547 118.700 -0.397 0.000 2.635 504 N HA -0.146 4.594 4.740 -0.000 0.000 0.191 504 N C 0.790 175.946 175.510 -0.591 0.000 1.155 504 N CA 0.593 53.388 53.050 -0.425 0.000 0.927 504 N CB -1.014 37.241 38.487 -0.386 0.000 0.976 504 N HN 0.390 nan 8.380 nan 0.000 0.448 505 c N 0.619 118.637 118.600 -0.970 0.000 2.769 505 c HA -0.034 4.536 4.570 -0.000 0.000 0.222 505 c C 1.708 175.327 174.090 -0.785 0.000 1.371 505 c CA 0.701 56.283 56.329 -1.245 0.000 2.390 505 c CB -2.389 39.806 42.510 -0.525 0.000 1.523 505 c HN 0.923 nan 8.230 nan 0.000 0.394 506 G N -0.048 108.274 108.800 -0.797 0.000 2.241 506 G HA2 0.102 4.062 3.960 -0.000 0.000 0.244 506 G HA3 0.102 4.062 3.960 -0.000 0.000 0.244 506 G C 0.111 174.838 174.900 -0.289 0.000 0.998 506 G CA 0.663 45.502 45.100 -0.435 0.000 0.621 506 G HN 2.130 nan 8.290 nan 0.000 0.519 507 A N -0.472 122.156 122.820 -0.321 0.000 2.312 507 A HA 0.861 5.181 4.320 -0.000 0.000 0.310 507 A C -0.158 177.249 177.584 -0.295 0.000 1.139 507 A CA 0.238 52.118 52.037 -0.261 0.000 0.886 507 A CB 1.226 20.077 19.000 -0.249 0.000 1.350 507 A HN 0.605 nan 8.150 nan 0.000 0.479 508 E N -0.416 119.635 120.200 -0.248 0.000 2.063 508 E HA 0.500 4.850 4.350 -0.000 0.000 0.265 508 E C 0.300 176.629 176.600 -0.452 0.000 0.919 508 E CA 0.986 57.201 56.400 -0.309 0.000 0.756 508 E CB 0.240 29.892 29.700 -0.080 0.000 1.120 508 E HN 1.651 nan 8.360 nan 0.000 0.414 509 G N 4.224 112.507 108.800 -0.863 0.000 2.428 509 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.202 509 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.202 509 G C -2.529 172.097 174.900 -0.457 0.000 1.247 509 G CA -0.552 44.068 45.100 -0.801 0.000 1.020 509 G HN 0.509 nan 8.290 nan 0.000 0.529 510 P HA 0.534 nan 4.420 nan 0.000 0.279 510 P C -0.289 176.922 177.300 -0.148 0.000 1.239 510 P CA 0.276 63.272 63.100 -0.173 0.000 0.789 510 P CB 1.515 33.154 31.700 -0.102 0.000 0.933 511 T N 1.151 115.625 114.554 -0.132 0.000 2.693 511 T HA 0.385 4.735 4.350 -0.000 0.000 0.278 511 T C 0.713 175.364 174.700 -0.083 0.000 0.994 511 T CA -0.566 61.465 62.100 -0.114 0.000 1.033 511 T CB 1.178 69.964 68.868 -0.135 0.000 1.342 511 T HN 0.338 nan 8.240 nan 0.000 0.538 512 N N -0.074 118.583 118.700 -0.071 0.000 2.380 512 N HA 0.036 4.776 4.740 -0.000 0.000 0.227 512 N C -0.252 175.227 175.510 -0.051 0.000 1.139 512 N CA 0.013 53.030 53.050 -0.054 0.000 0.843 512 N CB 0.280 38.742 38.487 -0.042 0.000 1.327 512 N HN 0.623 nan 8.380 nan 0.000 0.470 513 D N 3.170 123.537 120.400 -0.056 0.000 2.660 513 D HA -0.113 4.527 4.640 -0.000 0.000 0.253 513 D C 1.167 177.437 176.300 -0.050 0.000 1.256 513 D CA 0.468 54.438 54.000 -0.050 0.000 0.914 513 D CB 0.737 41.502 40.800 -0.058 0.000 1.137 513 D HN 0.052 nan 8.370 nan 0.000 0.542 514 Q N 3.384 123.163 119.800 -0.036 0.000 2.096 514 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 514 Q C 2.134 178.117 176.000 -0.029 0.000 0.982 514 Q CA 1.831 57.616 55.803 -0.031 0.000 0.850 514 Q CB -1.306 27.421 28.738 -0.018 0.000 0.901 514 Q HN 0.814 nan 8.270 nan 0.000 0.422 515 N N 0.615 119.301 118.700 -0.023 0.000 2.314 515 N HA -0.128 4.612 4.740 -0.000 0.000 0.191 515 N C 1.802 177.295 175.510 -0.029 0.000 1.007 515 N CA 2.197 55.239 53.050 -0.014 0.000 0.883 515 N CB -0.682 37.800 38.487 -0.009 0.000 0.969 515 N HN 0.350 nan 8.380 nan 0.000 0.441 516 V N -1.271 118.608 119.914 -0.059 0.000 2.911 516 V HA 0.521 4.641 4.120 -0.000 0.000 0.237 516 V C 2.943 178.972 176.094 -0.109 0.000 1.156 516 V CA 1.349 63.589 62.300 -0.101 0.000 1.180 516 V CB -0.954 30.790 31.823 -0.131 0.000 0.932 516 V HN 0.572 nan 8.190 nan 0.000 0.483 517 V N 0.474 120.331 119.914 -0.095 0.000 2.233 517 V HA -0.408 3.711 4.120 -0.000 0.000 0.256 517 V C 2.487 178.537 176.094 -0.074 0.000 1.069 517 V CA 3.619 65.868 62.300 -0.085 0.000 1.054 517 V CB -0.757 31.029 31.823 -0.063 0.000 0.664 517 V HN 0.554 nan 8.190 nan 0.000 0.453 518 I N -1.248 119.294 120.570 -0.047 0.000 2.286 518 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 518 I C 2.704 178.808 176.117 -0.022 0.000 1.104 518 I CA 1.642 62.925 61.300 -0.028 0.000 1.397 518 I CB -0.276 37.722 38.000 -0.002 0.000 1.072 518 I HN 0.676 nan 8.210 nan 0.000 0.417 519 c N 1.101 119.697 118.600 -0.006 0.000 2.391 519 c HA -0.258 4.312 4.570 -0.000 0.000 0.276 519 c C 2.965 177.057 174.090 0.004 0.000 1.217 519 c CA 1.426 57.775 56.329 0.033 0.000 1.766 519 c CB -0.992 41.551 42.510 0.056 0.000 2.046 519 c HN 0.387 nan 8.230 nan 0.000 0.475 520 R N 0.841 121.306 120.500 -0.059 0.000 2.082 520 R HA -0.073 4.267 4.340 -0.000 0.000 0.234 520 R C 2.230 178.454 176.300 -0.127 0.000 1.136 520 R CA 1.710 57.754 56.100 -0.092 0.000 0.935 520 R CB -0.576 29.642 30.300 -0.136 0.000 0.842 520 R HN 0.543 nan 8.270 nan 0.000 0.430 521 E N 0.111 120.226 120.200 -0.142 0.000 2.204 521 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 521 E C 1.792 178.283 176.600 -0.182 0.000 0.989 521 E CA 0.798 57.082 56.400 -0.194 0.000 0.824 521 E CB -0.064 29.553 29.700 -0.140 0.000 0.756 521 E HN 0.128 nan 8.360 nan 0.000 0.477 522 K N 0.786 121.112 120.400 -0.122 0.000 2.026 522 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 522 K C 2.125 178.603 176.600 -0.203 0.000 1.048 522 K CA 1.102 57.309 56.287 -0.134 0.000 0.929 522 K CB 0.114 32.579 32.500 -0.059 0.000 0.713 522 K HN -0.073 nan 8.250 nan 0.000 0.439 523 Q N 0.553 120.263 119.800 -0.150 0.000 2.079 523 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 523 Q C 1.956 177.846 176.000 -0.183 0.000 0.974 523 Q CA 1.442 57.124 55.803 -0.201 0.000 0.840 523 Q CB -0.101 28.639 28.738 0.003 0.000 0.898 523 Q HN 0.337 nan 8.270 nan 0.000 0.430 524 K N 0.388 120.716 120.400 -0.119 0.000 2.113 524 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 524 K C 2.161 178.778 176.600 0.029 0.000 1.047 524 K CA 1.287 57.522 56.287 -0.087 0.000 0.928 524 K CB -0.084 32.113 32.500 -0.505 0.000 0.716 524 K HN 0.100 nan 8.250 nan 0.000 0.446 525 R N 0.187 120.594 120.500 -0.155 0.000 2.161 525 R HA 0.057 4.397 4.340 -0.000 0.000 0.213 525 R C 1.953 178.123 176.300 -0.218 0.000 1.055 525 R CA 0.498 56.443 56.100 -0.259 0.000 0.996 525 R CB -0.076 29.805 30.300 -0.699 0.000 0.901 525 R HN 0.195 nan 8.270 nan 0.000 0.456 526 N N 0.821 119.243 118.700 -0.464 0.000 2.058 526 N HA -0.155 4.584 4.740 -0.000 0.000 0.191 526 N C 1.634 176.593 175.510 -0.919 0.000 1.037 526 N CA 1.484 53.953 53.050 -0.967 0.000 0.848 526 N CB -0.352 37.117 38.487 -1.695 0.000 1.021 526 N HN 0.139 nan 8.380 nan 0.000 0.422 527 F N 0.633 120.217 119.950 -0.611 0.000 2.126 527 F HA -0.172 4.355 4.527 -0.000 0.000 0.299 527 F C 2.467 178.243 175.800 -0.041 0.000 1.096 527 F CA 0.689 58.523 58.000 -0.278 0.000 1.255 527 F CB -0.107 38.825 39.000 -0.114 0.000 0.997 527 F HN -0.006 nan 8.300 nan 0.000 0.479 528 M N 0.463 120.188 119.600 0.209 0.000 2.086 528 M HA -0.171 4.309 4.480 -0.000 0.000 0.261 528 M C 2.032 178.448 176.300 0.193 0.000 1.067 528 M CA 1.666 57.114 55.300 0.245 0.000 1.116 528 M CB -0.725 32.088 32.600 0.356 0.000 1.348 528 M HN 0.089 nan 8.290 nan 0.000 0.407 529 I N -1.117 119.555 120.570 0.170 0.000 2.142 529 I HA -0.354 3.816 4.170 -0.000 0.000 0.240 529 I C 1.970 178.175 176.117 0.148 0.000 1.078 529 I CA 1.793 63.165 61.300 0.120 0.000 1.343 529 I CB -1.005 37.055 38.000 0.101 0.000 1.046 529 I HN 0.285 nan 8.210 nan 0.000 0.405 530 T N 1.538 116.221 114.554 0.215 0.000 2.624 530 T HA -0.254 4.096 4.350 -0.000 0.000 0.268 530 T C 1.841 176.743 174.700 0.336 0.000 1.041 530 T CA 1.674 63.977 62.100 0.337 0.000 1.159 530 T CB -0.557 68.599 68.868 0.479 0.000 0.863 530 T HN 0.152 nan 8.240 nan 0.000 0.434 531 L N 1.002 122.413 121.223 0.314 0.000 1.971 531 L HA 0.007 4.347 4.340 -0.000 0.000 0.215 531 L C 1.927 178.859 176.870 0.103 0.000 1.072 531 L CA 1.744 56.734 54.840 0.251 0.000 0.758 531 L CB -0.787 41.380 42.059 0.179 0.000 0.889 531 L HN 0.297 nan 8.230 nan 0.000 0.433 532 L N -1.116 120.133 121.223 0.043 0.000 2.693 532 L HA 0.012 4.352 4.340 -0.000 0.000 0.242 532 L C 1.303 178.199 176.870 0.042 0.000 1.157 532 L CA -0.047 54.760 54.840 -0.054 0.000 0.929 532 L CB -0.043 41.993 42.059 -0.038 0.000 1.103 532 L HN 0.183 nan 8.230 nan 0.000 0.430 533 V N -2.113 117.846 119.914 0.075 0.000 3.382 533 V HA 0.203 4.323 4.120 -0.000 0.000 0.296 533 V C 0.613 176.911 176.094 0.340 0.000 1.529 533 V CA 0.060 62.346 62.300 -0.023 0.000 1.048 533 V CB 1.009 32.850 31.823 0.029 0.000 0.878 533 V HN 0.294 nan 8.190 nan 0.000 0.442 534 S N 1.461 117.384 115.700 0.371 0.000 2.617 534 S HA 0.550 5.019 4.470 -0.000 0.000 0.283 534 S C -0.504 174.377 174.600 0.468 0.000 1.189 534 S CA -0.545 57.915 58.200 0.433 0.000 1.036 534 S CB 1.384 64.841 63.200 0.429 0.000 1.014 534 S HN 0.389 nan 8.310 nan 0.000 0.522 535 Q N 1.067 121.147 119.800 0.467 0.000 2.361 535 Q HA 0.493 4.833 4.340 -0.000 0.000 0.276 535 Q C 0.780 176.964 176.000 0.308 0.000 1.022 535 Q CA 0.702 56.758 55.803 0.421 0.000 0.898 535 Q CB 0.219 29.220 28.738 0.438 0.000 1.246 535 Q HN 1.097 nan 8.270 nan 0.000 0.410 536 G N 1.151 110.115 108.800 0.272 0.000 2.384 536 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.668 536 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.668 536 G C -1.085 173.923 174.900 0.180 0.000 1.280 536 G CA -0.799 44.410 45.100 0.182 0.000 0.992 536 G HN 0.493 nan 8.290 nan 0.000 0.512 537 T N 3.725 118.335 114.554 0.093 0.000 2.728 537 T HA 0.616 4.966 4.350 -0.000 0.000 0.296 537 T C -2.301 172.354 174.700 -0.075 0.000 0.940 537 T CA -0.612 61.515 62.100 0.045 0.000 1.013 537 T CB 1.783 70.677 68.868 0.042 0.000 0.912 537 T HN 0.539 nan 8.240 nan 0.000 0.484 538 P HA 0.300 nan 4.420 nan 0.000 0.285 538 P C -0.860 176.345 177.300 -0.159 0.000 1.259 538 P CA -0.694 62.283 63.100 -0.205 0.000 0.794 538 P CB 0.858 32.345 31.700 -0.355 0.000 0.940 539 M N 4.669 124.183 119.600 -0.144 0.000 2.125 539 M HA 0.328 4.807 4.480 -0.000 0.000 0.321 539 M C -0.991 175.261 176.300 -0.080 0.000 0.983 539 M CA -0.984 54.226 55.300 -0.150 0.000 0.934 539 M CB 0.659 33.064 32.600 -0.324 0.000 1.542 539 M HN 0.081 nan 8.290 nan 0.000 0.424 540 I N 5.633 126.190 120.570 -0.021 0.000 2.441 540 I HA 0.146 4.316 4.170 -0.000 0.000 0.287 540 I C -0.059 176.025 176.117 -0.054 0.000 1.049 540 I CA -0.501 60.819 61.300 0.033 0.000 1.381 540 I CB 1.016 39.116 38.000 0.166 0.000 1.409 540 I HN 0.706 nan 8.210 nan 0.000 0.523 541 L N 6.487 127.692 121.223 -0.031 0.000 2.342 541 L HA 0.331 4.670 4.340 -0.000 0.000 0.285 541 L C 0.856 177.658 176.870 -0.114 0.000 1.095 541 L CA -0.045 54.756 54.840 -0.065 0.000 0.843 541 L CB 0.176 42.252 42.059 0.029 0.000 1.201 541 L HN 0.794 nan 8.230 nan 0.000 0.445 542 G N 3.544 112.126 108.800 -0.362 0.000 2.241 542 G HA2 0.184 4.144 3.960 -0.000 0.000 0.235 542 G HA3 0.184 4.144 3.960 -0.000 0.000 0.235 542 G C 1.017 175.960 174.900 0.072 0.000 1.127 542 G CA 0.432 45.336 45.100 -0.327 0.000 0.867 542 G HN 1.522 nan 8.290 nan 0.000 0.473 543 G N 1.812 110.652 108.800 0.068 0.000 2.199 543 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.254 543 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.254 543 G C 0.957 175.754 174.900 -0.171 0.000 0.982 543 G CA 0.900 45.669 45.100 -0.551 0.000 0.632 543 G HN 0.677 nan 8.290 nan 0.000 0.529 544 D N 1.129 121.554 120.400 0.042 0.000 2.123 544 D HA 0.039 4.679 4.640 -0.000 0.000 0.200 544 D C 2.345 178.843 176.300 0.330 0.000 0.976 544 D CA 1.562 55.651 54.000 0.150 0.000 0.831 544 D CB -0.130 40.773 40.800 0.171 0.000 0.974 544 D HN 0.670 nan 8.370 nan 0.000 0.469 545 E N 0.263 120.642 120.200 0.298 0.000 2.204 545 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 545 E C 1.560 178.351 176.600 0.318 0.000 0.990 545 E CA 0.488 57.045 56.400 0.262 0.000 0.821 545 E CB -0.375 29.439 29.700 0.189 0.000 0.750 545 E HN 0.164 nan 8.360 nan 0.000 0.477 546 L N 0.733 122.077 121.223 0.201 0.000 2.599 546 L HA 0.152 4.492 4.340 -0.000 0.000 0.230 546 L C -0.120 176.782 176.870 0.054 0.000 1.141 546 L CA 0.370 55.262 54.840 0.086 0.000 0.877 546 L CB -0.838 41.117 42.059 -0.174 0.000 1.009 546 L HN 0.028 nan 8.230 nan 0.000 0.447 547 S N -0.518 115.258 115.700 0.127 0.000 3.631 547 S HA -0.265 4.204 4.470 -0.000 0.000 0.366 547 S C 0.764 175.328 174.600 -0.060 0.000 0.993 547 S CA 0.469 58.678 58.200 0.015 0.000 1.167 547 S CB -1.675 61.513 63.200 -0.020 0.000 0.909 547 S HN 0.558 nan 8.310 nan 0.000 0.478 548 R N 0.676 121.112 120.500 -0.106 0.000 2.643 548 R HA 0.378 4.718 4.340 -0.000 0.000 0.270 548 R C 0.313 176.566 176.300 -0.078 0.000 1.061 548 R CA 0.438 56.445 56.100 -0.156 0.000 1.107 548 R CB 0.601 30.720 30.300 -0.302 0.000 0.999 548 R HN 0.310 nan 8.270 nan 0.000 0.460 549 T N 1.902 116.420 114.554 -0.059 0.000 2.881 549 T HA 0.165 4.515 4.350 -0.000 0.000 0.290 549 T C -0.109 174.576 174.700 -0.025 0.000 1.000 549 T CA -0.555 61.526 62.100 -0.032 0.000 0.978 549 T CB 1.670 70.525 68.868 -0.021 0.000 0.997 549 T HN 0.669 nan 8.240 nan 0.000 0.443 550 Q N 2.411 122.200 119.800 -0.019 0.000 2.247 550 Q HA 0.296 4.636 4.340 -0.000 0.000 0.205 550 Q C 0.472 176.421 176.000 -0.085 0.000 0.896 550 Q CA -0.168 55.624 55.803 -0.019 0.000 0.950 550 Q CB 0.109 28.883 28.738 0.060 0.000 1.054 550 Q HN 0.679 nan 8.270 nan 0.000 0.482 551 R N -1.498 118.934 120.500 -0.114 0.000 3.656 551 R HA -0.232 4.108 4.340 -0.000 0.000 0.297 551 R C 0.730 176.756 176.300 -0.456 0.000 1.166 551 R CA 0.223 56.236 56.100 -0.144 0.000 0.799 551 R CB -2.434 27.816 30.300 -0.083 0.000 1.285 551 R HN 0.572 nan 8.270 nan 0.000 0.477 552 G N -0.247 108.064 108.800 -0.815 0.000 2.179 552 G HA2 -0.375 3.584 3.960 -0.000 0.000 0.260 552 G HA3 -0.375 3.584 3.960 -0.000 0.000 0.260 552 G C -0.011 174.758 174.900 -0.219 0.000 0.977 552 G CA 0.160 44.436 45.100 -1.373 0.000 0.641 552 G HN 0.448 nan 8.290 nan 0.000 0.533 553 N N 1.296 119.951 118.700 -0.075 0.000 2.434 553 N HA 0.091 4.830 4.740 -0.000 0.000 0.268 553 N C 1.100 176.729 175.510 0.199 0.000 1.256 553 N CA 0.800 53.903 53.050 0.088 0.000 0.914 553 N CB -0.232 38.279 38.487 0.038 0.000 1.088 553 N HN 0.781 nan 8.380 nan 0.000 0.478 554 N N 1.957 120.764 118.700 0.179 0.000 2.320 554 N HA 0.042 4.782 4.740 -0.000 0.000 0.237 554 N C -0.212 175.396 175.510 0.165 0.000 1.129 554 N CA -0.368 52.741 53.050 0.097 0.000 0.854 554 N CB 0.140 38.386 38.487 -0.402 0.000 1.083 554 N HN 0.435 nan 8.380 nan 0.000 0.504 555 N N 0.353 119.194 118.700 0.234 0.000 2.528 555 N HA 0.030 4.770 4.740 -0.000 0.000 0.266 555 N C -0.815 174.771 175.510 0.127 0.000 1.528 555 N CA -0.148 53.075 53.050 0.288 0.000 0.959 555 N CB 0.729 39.349 38.487 0.222 0.000 1.430 555 N HN 0.257 nan 8.380 nan 0.000 0.511 556 A N 1.151 124.049 122.820 0.130 0.000 2.900 556 A HA 0.099 4.419 4.320 -0.000 0.000 0.246 556 A C 1.014 178.282 177.584 -0.525 0.000 1.725 556 A CA -0.358 51.625 52.037 -0.091 0.000 1.400 556 A CB -1.564 17.479 19.000 0.072 0.000 0.973 556 A HN 0.571 nan 8.150 nan 0.000 0.635 557 F N -1.152 118.178 119.950 -1.033 0.000 2.407 557 F HA -0.061 4.466 4.527 -0.000 0.000 0.299 557 F C 1.520 176.975 175.800 -0.576 0.000 1.097 557 F CA 0.849 57.855 58.000 -1.657 0.000 1.422 557 F CB -0.790 37.530 39.000 -1.134 0.000 1.067 557 F HN 0.368 nan 8.300 nan 0.000 0.539 558 C N -1.494 117.102 119.300 -1.173 0.000 3.491 558 C HA 0.417 4.877 4.460 -0.000 0.000 0.298 558 C C 0.641 175.361 174.990 -0.450 0.000 1.424 558 C CA -0.513 58.030 59.018 -0.792 0.000 1.772 558 C CB -1.535 25.551 27.740 -1.091 0.000 2.447 558 C HN 0.311 nan 8.230 nan 0.000 0.670 559 Q N 2.593 122.116 119.800 -0.461 0.000 2.566 559 Q HA 0.289 4.629 4.340 -0.000 0.000 0.221 559 Q C -0.417 175.133 176.000 -0.751 0.000 1.195 559 Q CA 0.370 55.886 55.803 -0.479 0.000 0.967 559 Q CB 0.004 28.497 28.738 -0.409 0.000 1.337 559 Q HN 0.479 nan 8.270 nan 0.000 0.553 560 D N 2.600 122.648 120.400 -0.586 0.000 2.741 560 D HA 0.116 4.756 4.640 -0.000 0.000 0.233 560 D C -0.712 175.031 176.300 -0.929 0.000 1.160 560 D CA -0.080 53.532 54.000 -0.646 0.000 1.003 560 D CB -0.365 40.438 40.800 0.005 0.000 1.064 560 D HN 0.571 nan 8.370 nan 0.000 0.503 561 N N -0.991 116.700 118.700 -1.682 0.000 3.575 561 N HA 0.134 4.874 4.740 -0.000 0.000 0.343 561 N C 0.503 174.741 175.510 -2.120 0.000 1.574 561 N CA -0.561 51.468 53.050 -1.703 0.000 0.832 561 N CB 0.285 38.326 38.487 -0.744 0.000 2.151 561 N HN -0.251 nan 8.380 nan 0.000 0.552 562 E N -0.119 119.422 120.200 -1.098 0.000 2.268 562 E HA 0.194 4.544 4.350 -0.000 0.000 0.195 562 E C 1.271 177.681 176.600 -0.318 0.000 0.995 562 E CA 0.763 56.828 56.400 -0.558 0.000 0.836 562 E CB -0.375 29.217 29.700 -0.180 0.000 0.763 562 E HN 0.541 nan 8.360 nan 0.000 0.491 563 I N 0.261 120.602 120.570 -0.382 0.000 2.361 563 I HA -0.259 3.911 4.170 -0.000 0.000 0.251 563 I C 1.942 177.976 176.117 -0.138 0.000 1.133 563 I CA 1.728 62.895 61.300 -0.223 0.000 1.413 563 I CB -0.322 37.539 38.000 -0.232 0.000 1.073 563 I HN 0.244 nan 8.210 nan 0.000 0.424 564 T N -4.833 109.587 114.554 -0.224 0.000 2.964 564 T HA 0.027 4.376 4.350 -0.000 0.000 0.249 564 T C 0.450 175.415 174.700 0.441 0.000 1.000 564 T CA -0.478 61.645 62.100 0.038 0.000 0.992 564 T CB -0.495 68.237 68.868 -0.228 0.000 1.087 564 T HN 0.218 nan 8.240 nan 0.000 0.489 565 W N 1.877 123.207 121.300 0.049 0.000 2.601 565 W HA 0.046 4.706 4.660 -0.000 0.000 0.333 565 W C -0.490 176.150 176.519 0.203 0.000 1.080 565 W CA -1.414 56.013 57.345 0.137 0.000 1.212 565 W CB -0.085 29.413 29.460 0.063 0.000 1.127 565 W HN 0.107 nan 8.180 nan 0.000 0.558 566 F N 3.373 123.413 119.950 0.151 0.000 2.538 566 F HA -0.061 4.466 4.527 -0.000 0.000 0.382 566 F C 1.091 176.717 175.800 -0.291 0.000 1.069 566 F CA -0.082 57.803 58.000 -0.192 0.000 1.138 566 F CB -0.252 38.474 39.000 -0.455 0.000 1.068 566 F HN 0.147 nan 8.300 nan 0.000 0.556 567 D N 4.086 124.396 120.400 -0.151 0.000 2.352 567 D HA -0.021 4.619 4.640 -0.000 0.000 0.245 567 D C 0.319 176.539 176.300 -0.135 0.000 1.224 567 D CA -0.054 53.905 54.000 -0.069 0.000 0.879 567 D CB 0.372 41.163 40.800 -0.015 0.000 1.057 567 D HN 0.607 nan 8.370 nan 0.000 0.491 568 W N 2.202 123.547 121.300 0.075 0.000 3.077 568 W HA 0.074 4.734 4.660 -0.000 0.000 0.266 568 W C 1.366 177.909 176.519 0.039 0.000 1.300 568 W CA -0.660 56.709 57.345 0.041 0.000 1.586 568 W CB 0.246 29.699 29.460 -0.011 0.000 1.103 568 W HN 0.325 nan 8.180 nan 0.000 0.652 569 N N 2.463 121.299 118.700 0.227 0.000 2.400 569 N HA 0.062 4.802 4.740 -0.000 0.000 0.267 569 N C -0.954 174.629 175.510 0.122 0.000 1.208 569 N CA 0.410 53.553 53.050 0.154 0.000 0.951 569 N CB 0.027 38.582 38.487 0.113 0.000 1.227 569 N HN 0.009 nan 8.380 nan 0.000 0.488 570 L N 2.948 124.253 121.223 0.135 0.000 2.307 570 L HA 0.303 4.643 4.340 -0.000 0.000 0.284 570 L C 0.632 177.560 176.870 0.096 0.000 1.023 570 L CA -1.061 53.850 54.840 0.120 0.000 0.810 570 L CB 1.480 43.634 42.059 0.159 0.000 1.231 570 L HN 0.551 nan 8.230 nan 0.000 0.423 571 D N 0.839 121.285 120.400 0.077 0.000 2.399 571 D HA 0.063 4.703 4.640 -0.000 0.000 0.288 571 D C 0.753 177.097 176.300 0.073 0.000 1.197 571 D CA -0.168 53.871 54.000 0.065 0.000 1.081 571 D CB 0.608 41.436 40.800 0.046 0.000 1.139 571 D HN 0.461 nan 8.370 nan 0.000 0.554 572 E N -1.054 119.183 120.200 0.061 0.000 2.033 572 E HA -0.100 4.250 4.350 -0.000 0.000 0.189 572 E C 2.115 178.761 176.600 0.076 0.000 0.979 572 E CA 0.155 56.595 56.400 0.067 0.000 0.802 572 E CB -0.047 29.684 29.700 0.052 0.000 0.763 572 E HN 0.354 nan 8.360 nan 0.000 0.449 573 R N 1.114 121.648 120.500 0.057 0.000 2.140 573 R HA -0.210 4.130 4.340 -0.000 0.000 0.250 573 R C 2.060 178.415 176.300 0.091 0.000 1.150 573 R CA 1.694 57.826 56.100 0.052 0.000 0.966 573 R CB 0.073 30.380 30.300 0.012 0.000 0.869 573 R HN -0.032 nan 8.270 nan 0.000 0.445 574 K N -0.101 120.358 120.400 0.098 0.000 1.984 574 K HA -0.041 4.279 4.320 -0.000 0.000 0.209 574 K C 2.187 178.905 176.600 0.196 0.000 1.046 574 K CA 1.739 58.113 56.287 0.146 0.000 0.934 574 K CB -0.517 32.055 32.500 0.120 0.000 0.717 574 K HN 0.120 nan 8.250 nan 0.000 0.438 575 S N 1.464 117.259 115.700 0.159 0.000 2.399 575 S HA -0.123 4.347 4.470 -0.000 0.000 0.231 575 S C 1.963 176.659 174.600 0.161 0.000 1.022 575 S CA 1.258 59.553 58.200 0.158 0.000 0.983 575 S CB -0.088 63.188 63.200 0.127 0.000 0.803 575 S HN 0.291 nan 8.310 nan 0.000 0.480 576 K N 0.048 120.546 120.400 0.164 0.000 2.057 576 K HA -0.052 4.268 4.320 -0.000 0.000 0.206 576 K C 1.807 178.554 176.600 0.246 0.000 1.050 576 K CA 1.131 57.522 56.287 0.174 0.000 0.935 576 K CB -0.188 32.398 32.500 0.144 0.000 0.715 576 K HN 0.313 nan 8.250 nan 0.000 0.439 577 F N 1.163 121.170 119.950 0.095 0.000 2.098 577 F HA -0.154 4.373 4.527 -0.000 0.000 0.294 577 F C 1.835 177.744 175.800 0.181 0.000 1.107 577 F CA 0.859 58.922 58.000 0.105 0.000 1.234 577 F CB -0.687 38.336 39.000 0.038 0.000 1.002 577 F HN -0.031 nan 8.300 nan 0.000 0.472 578 L N 1.090 122.390 121.223 0.128 0.000 2.011 578 L HA -0.303 4.037 4.340 -0.000 0.000 0.225 578 L C 2.344 179.222 176.870 0.013 0.000 1.084 578 L CA 2.539 57.413 54.840 0.056 0.000 0.791 578 L CB -1.423 40.740 42.059 0.173 0.000 0.898 578 L HN 0.251 nan 8.230 nan 0.000 0.440 579 E N -0.927 119.317 120.200 0.075 0.000 2.086 579 E HA -0.315 4.035 4.350 -0.000 0.000 0.200 579 E C 2.071 178.693 176.600 0.036 0.000 1.012 579 E CA 1.975 58.410 56.400 0.059 0.000 0.812 579 E CB -0.680 29.075 29.700 0.092 0.000 0.743 579 E HN 0.574 nan 8.360 nan 0.000 0.453 580 F N -0.152 119.744 119.950 -0.090 0.000 2.102 580 F HA -0.165 4.361 4.527 -0.000 0.000 0.298 580 F C 2.086 177.773 175.800 -0.188 0.000 1.105 580 F CA 1.298 59.232 58.000 -0.109 0.000 1.239 580 F CB -0.429 38.531 39.000 -0.067 0.000 0.991 580 F HN -0.078 nan 8.300 nan 0.000 0.474 581 V N 1.197 121.063 119.914 -0.081 0.000 2.287 581 V HA -0.350 3.770 4.120 -0.000 0.000 0.248 581 V C 2.401 178.407 176.094 -0.147 0.000 1.053 581 V CA 2.315 64.514 62.300 -0.168 0.000 1.027 581 V CB -0.853 30.797 31.823 -0.288 0.000 0.646 581 V HN 0.297 nan 8.190 nan 0.000 0.447 582 K N -0.000 120.328 120.400 -0.121 0.000 2.000 582 K HA -0.235 4.084 4.320 -0.000 0.000 0.218 582 K C 2.257 178.796 176.600 -0.102 0.000 1.053 582 K CA 1.583 57.812 56.287 -0.096 0.000 0.946 582 K CB -0.378 32.079 32.500 -0.072 0.000 0.723 582 K HN 0.259 nan 8.250 nan 0.000 0.446 583 K N 0.288 120.605 120.400 -0.139 0.000 2.218 583 K HA -0.102 4.217 4.320 -0.000 0.000 0.205 583 K C 2.011 178.519 176.600 -0.153 0.000 1.046 583 K CA 1.103 57.304 56.287 -0.143 0.000 0.933 583 K CB -0.092 32.289 32.500 -0.199 0.000 0.728 583 K HN 0.244 nan 8.250 nan 0.000 0.454 584 M N -0.038 119.411 119.600 -0.252 0.000 2.325 584 M HA 0.055 4.535 4.480 -0.000 0.000 0.265 584 M C 2.112 178.418 176.300 0.009 0.000 1.094 584 M CA 0.791 55.966 55.300 -0.208 0.000 1.161 584 M CB -0.224 32.164 32.600 -0.354 0.000 1.358 584 M HN -0.000 nan 8.290 nan 0.000 0.446 585 I N -0.260 120.303 120.570 -0.012 0.000 2.208 585 I HA -0.347 3.823 4.170 -0.000 0.000 0.245 585 I C 2.346 178.526 176.117 0.105 0.000 1.097 585 I CA 1.323 62.653 61.300 0.049 0.000 1.363 585 I CB -0.486 37.512 38.000 -0.004 0.000 1.051 585 I HN 0.410 nan 8.210 nan 0.000 0.413 586 Q N 0.137 119.972 119.800 0.059 0.000 2.170 586 Q HA -0.239 4.101 4.340 -0.000 0.000 0.203 586 Q C 2.117 178.179 176.000 0.103 0.000 0.976 586 Q CA 1.714 57.551 55.803 0.057 0.000 0.858 586 Q CB -0.054 28.700 28.738 0.027 0.000 0.907 586 Q HN 0.504 nan 8.270 nan 0.000 0.433 587 F N -0.564 119.393 119.950 0.011 0.000 2.098 587 F HA -0.227 4.300 4.527 -0.000 0.000 0.294 587 F C 1.994 177.852 175.800 0.097 0.000 1.107 587 F CA 1.420 59.456 58.000 0.060 0.000 1.234 587 F CB -0.585 38.412 39.000 -0.005 0.000 1.002 587 F HN 0.128 nan 8.300 nan 0.000 0.472 588 Y N 1.558 121.910 120.300 0.087 0.000 2.096 588 Y HA -0.324 4.226 4.550 -0.000 0.000 0.278 588 Y C 2.377 178.258 175.900 -0.033 0.000 1.192 588 Y CA 2.408 60.493 58.100 -0.025 0.000 1.143 588 Y CB -0.532 37.936 38.460 0.013 0.000 0.963 588 Y HN 0.037 nan 8.280 nan 0.000 0.505 589 R N -0.577 119.913 120.500 -0.018 0.000 2.299 589 R HA 0.162 4.502 4.340 -0.000 0.000 0.197 589 R C 2.125 178.321 176.300 -0.173 0.000 0.971 589 R CA 0.473 56.511 56.100 -0.104 0.000 1.030 589 R CB -0.116 30.206 30.300 0.037 0.000 0.932 589 R HN 0.418 nan 8.270 nan 0.000 0.477 590 A N 0.138 122.816 122.820 -0.236 0.000 2.072 590 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 590 A C 0.269 177.556 177.584 -0.495 0.000 1.156 590 A CA 0.663 52.477 52.037 -0.371 0.000 0.701 590 A CB 0.184 18.909 19.000 -0.458 0.000 0.816 590 A HN 0.169 nan 8.150 nan 0.000 0.458 591 H N -1.135 117.796 119.070 -0.232 0.000 2.708 591 H HA 0.260 4.816 4.556 -0.000 0.000 0.320 591 H C -2.247 173.016 175.328 -0.108 0.000 0.991 591 H CA -1.834 54.129 56.048 -0.142 0.000 1.243 591 H CB 1.552 31.193 29.762 -0.202 0.000 1.446 591 H HN 0.074 nan 8.280 nan 0.000 0.502 592 P HA -0.073 nan 4.420 nan 0.000 0.228 592 P C 1.314 178.582 177.300 -0.053 0.000 1.151 592 P CA 0.766 63.839 63.100 -0.045 0.000 0.770 592 P CB 0.283 31.962 31.700 -0.034 0.000 0.786 593 A N -2.081 120.687 122.820 -0.086 0.000 2.172 593 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 593 A C 1.407 178.795 177.584 -0.326 0.000 1.154 593 A CA 1.183 53.096 52.037 -0.207 0.000 0.701 593 A CB -1.356 17.462 19.000 -0.302 0.000 0.789 593 A HN 0.189 nan 8.150 nan 0.000 0.465 594 F N -1.514 118.465 119.950 0.049 0.000 2.711 594 F HA 0.230 4.757 4.527 -0.000 0.000 0.296 594 F C 1.341 177.144 175.800 0.005 0.000 1.096 594 F CA -0.196 57.853 58.000 0.081 0.000 1.280 594 F CB 0.402 39.420 39.000 0.030 0.000 1.060 594 F HN -0.096 nan 8.300 nan 0.000 0.608 595 R N 1.789 122.280 120.500 -0.014 0.000 4.518 595 R HA 0.211 4.551 4.340 -0.000 0.000 0.243 595 R C -0.175 176.136 176.300 0.019 0.000 1.720 595 R CA -0.159 55.925 56.100 -0.027 0.000 1.526 595 R CB -0.118 30.084 30.300 -0.163 0.000 1.425 595 R HN 0.001 nan 8.270 nan 0.000 0.787 596 R N 0.544 121.083 120.500 0.065 0.000 2.459 596 R HA 0.040 4.379 4.340 -0.000 0.000 0.281 596 R C 0.739 177.079 176.300 0.066 0.000 1.050 596 R CA -0.198 55.903 56.100 0.000 0.000 1.055 596 R CB 1.187 31.437 30.300 -0.084 0.000 1.045 596 R HN 0.382 nan 8.270 nan 0.000 0.495 597 E N 1.289 121.512 120.200 0.038 0.000 2.415 597 E HA 0.029 4.379 4.350 -0.000 0.000 0.197 597 E C -0.040 176.535 176.600 -0.041 0.000 1.007 597 E CA 0.397 56.885 56.400 0.146 0.000 0.890 597 E CB 0.601 30.375 29.700 0.124 0.000 0.891 597 E HN 0.313 nan 8.360 nan 0.000 0.496 598 R N -1.029 119.387 120.500 -0.140 0.000 2.905 598 R HA 0.350 4.690 4.340 -0.000 0.000 0.260 598 R C -1.258 174.884 176.300 -0.263 0.000 1.086 598 R CA -0.798 55.176 56.100 -0.209 0.000 0.978 598 R CB 1.189 31.439 30.300 -0.084 0.000 1.215 598 R HN -0.010 nan 8.270 nan 0.000 0.480 599 Y N 0.266 120.549 120.300 -0.029 0.000 2.310 599 Y HA 0.230 4.780 4.550 -0.000 0.000 0.326 599 Y C 0.177 176.067 175.900 -0.017 0.000 1.151 599 Y CA -0.435 57.677 58.100 0.020 0.000 1.195 599 Y CB 0.708 39.220 38.460 0.087 0.000 1.210 599 Y HN 0.344 nan 8.280 nan 0.000 0.483 600 F N 2.777 122.894 119.950 0.278 0.000 2.602 600 F HA -0.024 4.503 4.527 -0.000 0.000 0.385 600 F C 0.561 176.457 175.800 0.160 0.000 1.063 600 F CA 0.248 58.361 58.000 0.187 0.000 1.233 600 F CB 0.193 39.296 39.000 0.171 0.000 1.067 600 F HN 0.367 nan 8.300 nan 0.000 0.564 601 Q N 2.002 121.966 119.800 0.274 0.000 2.221 601 Q HA 0.317 4.657 4.340 -0.000 0.000 0.242 601 Q C 1.085 177.181 176.000 0.160 0.000 0.940 601 Q CA -0.252 55.655 55.803 0.174 0.000 0.896 601 Q CB 1.088 29.887 28.738 0.103 0.000 1.226 601 Q HN 0.868 nan 8.270 nan 0.000 0.463 602 G N 1.138 109.989 108.800 0.085 0.000 3.061 602 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.208 602 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.208 602 G C 0.035 174.957 174.900 0.035 0.000 1.175 602 G CA 0.136 45.265 45.100 0.048 0.000 0.812 602 G HN 0.512 nan 8.290 nan 0.000 0.523 603 K N -0.795 119.640 120.400 0.058 0.000 2.439 603 K HA 0.567 4.887 4.320 -0.000 0.000 0.260 603 K C -0.450 176.189 176.600 0.064 0.000 1.032 603 K CA -1.090 55.222 56.287 0.042 0.000 0.882 603 K CB 1.652 34.164 32.500 0.020 0.000 1.420 603 K HN -0.097 nan 8.250 nan 0.000 0.455 604 K N 0.434 120.866 120.400 0.053 0.000 2.156 604 K HA 0.358 4.677 4.320 -0.000 0.000 0.242 604 K C -0.345 176.289 176.600 0.058 0.000 1.033 604 K CA -0.315 56.014 56.287 0.070 0.000 0.878 604 K CB 0.153 32.688 32.500 0.060 0.000 1.057 604 K HN 0.393 nan 8.250 nan 0.000 0.505 605 L N -0.042 121.235 121.223 0.090 0.000 2.556 605 L HA 0.264 4.604 4.340 -0.000 0.000 0.257 605 L C -0.772 176.202 176.870 0.173 0.000 0.955 605 L CA -0.843 54.019 54.840 0.037 0.000 0.850 605 L CB 1.462 43.582 42.059 0.101 0.000 1.398 605 L HN 0.697 nan 8.230 nan 0.000 0.412 606 F N 0.981 120.947 119.950 0.026 0.000 3.057 606 F HA -0.206 4.321 4.527 -0.000 0.000 0.287 606 F C 1.379 177.191 175.800 0.020 0.000 0.834 606 F CA 1.002 59.015 58.000 0.021 0.000 1.147 606 F CB -1.634 37.378 39.000 0.020 0.000 1.245 606 F HN 0.866 nan 8.300 nan 0.000 0.509 607 G N 0.286 109.156 108.800 0.117 0.000 2.323 607 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.292 607 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.292 607 G C 0.101 175.059 174.900 0.097 0.000 1.040 607 G CA 0.414 45.566 45.100 0.086 0.000 0.942 607 G HN 0.342 nan 8.290 nan 0.000 0.506 608 M N -0.135 119.534 119.600 0.115 0.000 2.404 608 M HA 0.287 4.767 4.480 -0.000 0.000 0.338 608 M C -0.572 175.775 176.300 0.078 0.000 1.150 608 M CA -2.401 52.956 55.300 0.096 0.000 1.016 608 M CB 1.284 33.953 32.600 0.115 0.000 1.672 608 M HN -0.015 nan 8.290 nan 0.000 0.448 609 P HA -0.115 nan 4.420 nan 0.000 0.213 609 P C 0.268 177.611 177.300 0.070 0.000 1.170 609 P CA 1.357 64.493 63.100 0.059 0.000 0.902 609 P CB -0.006 31.725 31.700 0.051 0.000 0.789 610 L N 0.513 121.783 121.223 0.078 0.000 2.461 610 L HA 0.127 4.467 4.340 -0.000 0.000 0.272 610 L C 1.114 178.045 176.870 0.101 0.000 1.197 610 L CA -0.412 54.483 54.840 0.093 0.000 0.836 610 L CB -0.275 41.842 42.059 0.096 0.000 1.105 610 L HN 0.034 nan 8.230 nan 0.000 0.477 611 K N 0.719 121.178 120.400 0.099 0.000 2.159 611 K HA 0.208 4.528 4.320 -0.000 0.000 0.266 611 K C 0.312 176.986 176.600 0.124 0.000 0.975 611 K CA -0.736 55.611 56.287 0.101 0.000 0.865 611 K CB 1.522 34.063 32.500 0.070 0.000 1.087 611 K HN 0.608 nan 8.250 nan 0.000 0.446 612 D N 1.864 122.372 120.400 0.181 0.000 2.228 612 D HA -0.173 4.467 4.640 -0.000 0.000 0.203 612 D C 0.379 176.799 176.300 0.199 0.000 0.988 612 D CA 0.764 54.930 54.000 0.277 0.000 0.864 612 D CB -0.026 41.020 40.800 0.411 0.000 0.928 612 D HN 0.187 nan 8.370 nan 0.000 0.469 613 V N -0.667 119.292 119.914 0.076 0.000 2.777 613 V HA 0.503 4.623 4.120 -0.000 0.000 0.306 613 V C -1.520 174.476 176.094 -0.163 0.000 1.112 613 V CA -0.312 61.889 62.300 -0.165 0.000 0.917 613 V CB 2.275 33.927 31.823 -0.285 0.000 1.018 613 V HN 0.191 nan 8.190 nan 0.000 0.426 614 T N 6.800 121.176 114.554 -0.295 0.000 2.933 614 T HA 0.658 5.008 4.350 -0.000 0.000 0.305 614 T C -1.172 173.203 174.700 -0.541 0.000 1.092 614 T CA -0.179 61.712 62.100 -0.348 0.000 1.008 614 T CB 1.412 70.062 68.868 -0.364 0.000 1.102 614 T HN 0.424 nan 8.240 nan 0.000 0.469 615 F N 1.535 121.386 119.950 -0.165 0.000 2.450 615 F HA 0.689 5.215 4.527 -0.000 0.000 0.332 615 F C -0.231 175.426 175.800 -0.239 0.000 1.093 615 F CA -0.777 57.237 58.000 0.024 0.000 1.003 615 F CB 1.235 40.496 39.000 0.435 0.000 1.151 615 F HN 0.526 nan 8.300 nan 0.000 0.474 616 Y N -0.477 120.026 120.300 0.339 0.000 2.659 616 Y HA 0.597 5.146 4.550 -0.000 0.000 0.333 616 Y C 0.461 176.395 175.900 0.057 0.000 1.064 616 Y CA -0.938 57.240 58.100 0.131 0.000 1.141 616 Y CB 2.102 40.584 38.460 0.038 0.000 1.316 616 Y HN 0.610 nan 8.280 nan 0.000 0.509 617 T N -2.036 112.622 114.554 0.173 0.000 2.919 617 T HA 0.228 4.578 4.350 -0.000 0.000 0.282 617 T C 0.730 175.455 174.700 0.042 0.000 1.020 617 T CA -0.730 61.392 62.100 0.037 0.000 0.994 617 T CB 0.893 69.745 68.868 -0.028 0.000 1.180 617 T HN 0.545 nan 8.240 nan 0.000 0.566 618 L N 0.381 121.612 121.223 0.013 0.000 2.082 618 L HA -0.126 4.214 4.340 -0.000 0.000 0.223 618 L C 0.950 177.814 176.870 -0.010 0.000 1.086 618 L CA 2.052 56.893 54.840 0.001 0.000 0.793 618 L CB -0.793 41.266 42.059 -0.000 0.000 0.896 618 L HN 0.690 nan 8.230 nan 0.000 0.441 619 E N -2.135 118.064 120.200 -0.001 0.000 2.259 619 E HA 0.325 4.675 4.350 -0.000 0.000 0.257 619 E C 1.190 177.787 176.600 -0.005 0.000 0.998 619 E CA 0.227 56.623 56.400 -0.006 0.000 0.866 619 E CB 0.121 29.824 29.700 0.004 0.000 1.220 619 E HN 0.056 nan 8.360 nan 0.000 0.415 620 G N 0.900 109.685 108.800 -0.026 0.000 2.442 620 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.219 620 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.219 620 G C 0.437 175.382 174.900 0.075 0.000 1.141 620 G CA 0.450 45.513 45.100 -0.062 0.000 0.763 620 G HN 0.426 nan 8.290 nan 0.000 0.554 621 R N 1.431 121.983 120.500 0.086 0.000 2.486 621 R HA 0.122 4.462 4.340 -0.000 0.000 0.303 621 R C 0.189 176.601 176.300 0.185 0.000 0.958 621 R CA -0.077 56.092 56.100 0.116 0.000 1.077 621 R CB 0.323 30.661 30.300 0.063 0.000 0.921 621 R HN 0.432 nan 8.270 nan 0.000 0.406 622 E N 2.779 123.105 120.200 0.209 0.000 2.418 622 E HA -0.034 4.316 4.350 -0.000 0.000 0.261 622 E C -0.454 176.186 176.600 0.067 0.000 1.070 622 E CA -0.517 55.975 56.400 0.155 0.000 0.931 622 E CB 0.813 30.549 29.700 0.061 0.000 0.954 622 E HN 0.449 nan 8.360 nan 0.000 0.439 623 V N 6.297 126.234 119.914 0.038 0.000 2.442 623 V HA -0.116 4.003 4.120 -0.000 0.000 0.272 623 V C 0.826 176.937 176.094 0.028 0.000 0.989 623 V CA 0.731 63.038 62.300 0.012 0.000 1.123 623 V CB -0.857 31.012 31.823 0.076 0.000 1.008 623 V HN 0.713 nan 8.190 nan 0.000 0.469 624 D N 3.674 124.082 120.400 0.013 0.000 2.289 624 D HA -0.004 4.636 4.640 -0.000 0.000 0.266 624 D C 1.014 177.339 176.300 0.040 0.000 1.243 624 D CA -0.379 53.629 54.000 0.014 0.000 1.019 624 D CB 1.066 41.871 40.800 0.009 0.000 1.126 624 D HN 0.346 nan 8.370 nan 0.000 0.541 625 E N 0.227 120.446 120.200 0.032 0.000 2.012 625 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 625 E C 2.045 178.705 176.600 0.101 0.000 0.977 625 E CA 1.322 57.755 56.400 0.056 0.000 0.832 625 E CB -0.547 29.167 29.700 0.022 0.000 0.790 625 E HN 0.503 nan 8.360 nan 0.000 0.466 626 K N -0.602 119.830 120.400 0.054 0.000 2.362 626 K HA -0.129 4.191 4.320 -0.000 0.000 0.202 626 K C 1.885 178.503 176.600 0.031 0.000 1.045 626 K CA 1.585 57.897 56.287 0.042 0.000 0.936 626 K CB -0.378 32.132 32.500 0.016 0.000 0.747 626 K HN 0.194 nan 8.250 nan 0.000 0.467 627 T N -0.653 113.917 114.554 0.026 0.000 3.055 627 T HA -0.105 4.245 4.350 -0.000 0.000 0.265 627 T C 0.991 175.680 174.700 -0.019 0.000 1.111 627 T CA 0.424 62.504 62.100 -0.034 0.000 1.118 627 T CB -0.173 68.646 68.868 -0.082 0.000 0.909 627 T HN 0.523 nan 8.240 nan 0.000 0.501 628 W N 0.933 122.174 121.300 -0.099 0.000 2.770 628 W HA 0.114 4.774 4.660 -0.000 0.000 0.256 628 W C 1.336 177.848 176.519 -0.011 0.000 1.291 628 W CA 0.384 57.705 57.345 -0.040 0.000 1.396 628 W CB 0.182 29.618 29.460 -0.040 0.000 1.114 628 W HN 0.291 nan 8.180 nan 0.000 0.637 629 S N -0.196 115.521 115.700 0.029 0.000 2.506 629 S HA 0.026 4.496 4.470 -0.000 0.000 0.230 629 S C 0.825 175.379 174.600 -0.076 0.000 1.066 629 S CA -0.068 58.105 58.200 -0.044 0.000 0.940 629 S CB -0.077 63.143 63.200 0.033 0.000 0.818 629 S HN -0.077 nan 8.310 nan 0.000 0.518 630 S N 4.059 119.731 115.700 -0.046 0.000 2.552 630 S HA 0.175 4.645 4.470 -0.000 0.000 0.289 630 S C -2.143 172.420 174.600 -0.060 0.000 1.304 630 S CA -0.811 57.360 58.200 -0.049 0.000 1.063 630 S CB 0.246 63.423 63.200 -0.037 0.000 0.848 630 S HN 0.287 nan 8.310 nan 0.000 0.499 631 P HA 0.066 nan 4.420 nan 0.000 0.271 631 P C -0.219 177.066 177.300 -0.025 0.000 1.233 631 P CA 0.008 63.074 63.100 -0.057 0.000 0.795 631 P CB 0.413 32.081 31.700 -0.054 0.000 0.936 632 T N -0.862 113.689 114.554 -0.004 0.000 3.087 632 T HA 0.169 4.519 4.350 -0.000 0.000 0.351 632 T C -0.233 174.506 174.700 0.064 0.000 1.520 632 T CA -0.453 61.675 62.100 0.048 0.000 1.111 632 T CB 0.801 69.771 68.868 0.171 0.000 1.353 632 T HN 0.361 nan 8.240 nan 0.000 0.481 633 Q N 1.907 121.716 119.800 0.014 0.000 2.219 633 Q HA 0.369 4.709 4.340 -0.000 0.000 0.209 633 Q C -0.531 175.442 176.000 -0.045 0.000 0.854 633 Q CA -0.143 55.602 55.803 -0.097 0.000 0.960 633 Q CB 0.795 29.410 28.738 -0.206 0.000 1.116 633 Q HN 0.449 nan 8.270 nan 0.000 0.500 634 L N 0.344 121.642 121.223 0.125 0.000 2.439 634 L HA 0.447 4.787 4.340 -0.000 0.000 0.270 634 L C -1.452 175.578 176.870 0.267 0.000 0.972 634 L CA -0.767 54.164 54.840 0.151 0.000 0.836 634 L CB 2.007 44.114 42.059 0.080 0.000 1.255 634 L HN -0.277 nan 8.230 nan 0.000 0.404 635 V N 6.226 126.282 119.914 0.237 0.000 2.555 635 V HA 0.636 4.756 4.120 -0.000 0.000 0.302 635 V C -0.268 176.034 176.094 0.346 0.000 1.038 635 V CA -0.405 62.033 62.300 0.231 0.000 0.887 635 V CB 1.781 33.528 31.823 -0.127 0.000 0.991 635 V HN 0.636 nan 8.190 nan 0.000 0.434 636 I N 5.555 126.433 120.570 0.512 0.000 2.607 636 I HA 0.684 4.854 4.170 -0.000 0.000 0.290 636 I C -0.999 175.464 176.117 0.577 0.000 1.129 636 I CA -0.420 61.128 61.300 0.415 0.000 1.042 636 I CB 2.011 40.132 38.000 0.200 0.000 1.242 636 I HN 0.708 nan 8.210 nan 0.000 0.421 637 F N 3.663 123.671 119.950 0.097 0.000 2.678 637 F HA 0.840 5.367 4.527 -0.000 0.000 0.308 637 F C -1.819 173.918 175.800 -0.105 0.000 1.118 637 F CA -1.142 56.762 58.000 -0.160 0.000 0.959 637 F CB 1.416 40.052 39.000 -0.606 0.000 1.305 637 F HN 0.020 nan 8.300 nan 0.000 0.443 638 V N 3.792 123.635 119.914 -0.119 0.000 2.409 638 V HA 0.386 4.506 4.120 -0.000 0.000 0.290 638 V C -0.350 175.726 176.094 -0.030 0.000 1.017 638 V CA -0.655 61.625 62.300 -0.032 0.000 0.841 638 V CB 1.594 33.538 31.823 0.201 0.000 1.003 638 V HN 0.711 nan 8.190 nan 0.000 0.426 639 L N 4.293 125.512 121.223 -0.007 0.000 2.290 639 L HA 0.492 4.832 4.340 -0.000 0.000 0.284 639 L C 0.440 177.386 176.870 0.127 0.000 1.078 639 L CA -0.348 54.476 54.840 -0.027 0.000 0.815 639 L CB 0.829 42.852 42.059 -0.060 0.000 1.162 639 L HN 0.486 nan 8.230 nan 0.000 0.435 640 E N 2.767 123.057 120.200 0.150 0.000 1.998 640 E HA 0.127 4.477 4.350 -0.000 0.000 0.257 640 E C 1.088 177.789 176.600 0.169 0.000 1.038 640 E CA -0.155 56.340 56.400 0.157 0.000 0.869 640 E CB 1.426 31.215 29.700 0.148 0.000 1.135 640 E HN 0.765 nan 8.360 nan 0.000 0.430 641 G N 1.675 110.560 108.800 0.141 0.000 2.499 641 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.221 641 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.221 641 G C 1.344 176.290 174.900 0.076 0.000 1.109 641 G CA 0.463 45.640 45.100 0.128 0.000 0.749 641 G HN 0.358 nan 8.290 nan 0.000 0.568 642 S N -0.958 114.775 115.700 0.055 0.000 2.577 642 S HA 0.204 4.674 4.470 -0.000 0.000 0.219 642 S C 0.914 175.520 174.600 0.009 0.000 0.962 642 S CA 0.414 58.620 58.200 0.010 0.000 0.921 642 S CB 0.513 63.712 63.200 -0.002 0.000 0.789 642 S HN 0.565 nan 8.310 nan 0.000 0.497 643 V N -0.977 118.981 119.914 0.074 0.000 2.864 643 V HA 0.518 4.638 4.120 -0.000 0.000 0.378 643 V C -0.531 175.690 176.094 0.213 0.000 1.346 643 V CA -0.572 61.812 62.300 0.139 0.000 1.328 643 V CB -0.536 31.393 31.823 0.177 0.000 1.361 643 V HN 0.185 nan 8.190 nan 0.000 0.641 644 M N 0.839 120.518 119.600 0.132 0.000 2.318 644 M HA 0.517 4.997 4.480 -0.000 0.000 0.347 644 M C -0.203 176.209 176.300 0.187 0.000 1.175 644 M CA -0.226 55.142 55.300 0.114 0.000 1.075 644 M CB 1.365 33.962 32.600 -0.005 0.000 1.614 644 M HN 0.106 nan 8.290 nan 0.000 0.456 645 D N 2.844 123.368 120.400 0.207 0.000 2.608 645 D HA 0.084 4.724 4.640 -0.000 0.000 0.224 645 D C -0.863 175.485 176.300 0.080 0.000 1.123 645 D CA 0.396 54.547 54.000 0.252 0.000 1.030 645 D CB 0.181 41.070 40.800 0.147 0.000 1.093 645 D HN 0.332 nan 8.370 nan 0.000 0.497 646 E N 2.122 122.348 120.200 0.044 0.000 2.218 646 E HA 0.356 4.706 4.350 -0.000 0.000 0.263 646 E C -0.428 176.174 176.600 0.004 0.000 0.879 646 E CA -0.649 55.746 56.400 -0.008 0.000 0.762 646 E CB 1.748 31.417 29.700 -0.051 0.000 1.166 646 E HN 0.373 nan 8.360 nan 0.000 0.415 647 I N 3.561 124.140 120.570 0.015 0.000 2.447 647 I HA 0.205 4.375 4.170 -0.000 0.000 0.287 647 I C 0.860 176.985 176.117 0.013 0.000 1.023 647 I CA -0.779 60.532 61.300 0.020 0.000 1.083 647 I CB 1.443 39.466 38.000 0.038 0.000 1.245 647 I HN 0.412 nan 8.210 nan 0.000 0.434 648 N N 6.331 125.046 118.700 0.025 0.000 2.263 648 N HA 0.104 4.843 4.740 -0.000 0.000 0.239 648 N C 0.965 176.483 175.510 0.013 0.000 1.317 648 N CA -0.701 52.372 53.050 0.038 0.000 0.909 648 N CB 0.615 39.163 38.487 0.103 0.000 1.171 648 N HN 0.714 nan 8.380 nan 0.000 0.492 649 M N -2.030 117.536 119.600 -0.056 0.000 2.722 649 M HA 0.043 4.523 4.480 -0.000 0.000 0.238 649 M C -0.295 175.776 176.300 -0.382 0.000 1.098 649 M CA 0.890 56.045 55.300 -0.242 0.000 1.062 649 M CB -0.499 31.881 32.600 -0.366 0.000 1.573 649 M HN 0.529 nan 8.290 nan 0.000 0.531 650 Y N 0.399 120.683 120.300 -0.027 0.000 2.500 650 Y HA 0.449 4.999 4.550 -0.000 0.000 0.246 650 Y C 1.528 177.417 175.900 -0.018 0.000 1.146 650 Y CA 0.162 58.247 58.100 -0.024 0.000 1.230 650 Y CB 0.910 39.352 38.460 -0.030 0.000 1.214 650 Y HN 0.491 nan 8.280 nan 0.000 0.526 651 G N 1.052 109.908 108.800 0.093 0.000 2.137 651 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.237 651 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.237 651 G C -0.329 174.604 174.900 0.056 0.000 1.002 651 G CA -0.165 44.971 45.100 0.061 0.000 0.702 651 G HN 0.408 nan 8.290 nan 0.000 0.515 652 E N 0.367 120.605 120.200 0.063 0.000 2.134 652 E HA 0.425 4.774 4.350 -0.000 0.000 0.278 652 E C 0.665 177.262 176.600 -0.004 0.000 0.959 652 E CA -0.848 55.564 56.400 0.021 0.000 0.783 652 E CB 1.351 31.059 29.700 0.013 0.000 1.095 652 E HN 0.230 nan 8.360 nan 0.000 0.399 653 R N 2.622 123.096 120.500 -0.043 0.000 2.643 653 R HA 0.059 4.399 4.340 -0.000 0.000 0.270 653 R C 0.557 176.802 176.300 -0.092 0.000 1.061 653 R CA -0.013 56.032 56.100 -0.092 0.000 1.107 653 R CB 0.552 30.718 30.300 -0.223 0.000 0.999 653 R HN 0.554 nan 8.270 nan 0.000 0.460 654 I N 1.787 122.308 120.570 -0.082 0.000 2.899 654 I HA 0.139 4.309 4.170 -0.000 0.000 0.257 654 I C 0.682 176.767 176.117 -0.053 0.000 1.115 654 I CA 1.228 62.495 61.300 -0.055 0.000 1.451 654 I CB -1.367 36.609 38.000 -0.040 0.000 1.251 654 I HN 0.816 nan 8.210 nan 0.000 0.456 655 A N 1.091 123.878 122.820 -0.055 0.000 2.490 655 A HA -0.089 4.230 4.320 -0.000 0.000 0.684 655 A C -0.091 177.504 177.584 0.017 0.000 0.174 655 A CA 0.771 52.791 52.037 -0.028 0.000 0.057 655 A CB -1.104 17.871 19.000 -0.041 0.000 3.963 655 A HN 0.415 nan 8.150 nan 0.000 0.547 656 D N -0.554 119.880 120.400 0.057 0.000 3.344 656 D HA 0.564 5.204 4.640 -0.000 0.000 0.308 656 D C -0.882 175.490 176.300 0.119 0.000 1.356 656 D CA 0.204 54.282 54.000 0.130 0.000 0.998 656 D CB 0.674 41.595 40.800 0.201 0.000 1.370 656 D HN 0.546 nan 8.370 nan 0.000 0.610 657 D N -0.324 120.190 120.400 0.190 0.000 2.354 657 D HA 0.359 4.999 4.640 -0.000 0.000 0.247 657 D C -0.497 175.713 176.300 -0.150 0.000 1.138 657 D CA 0.100 54.047 54.000 -0.088 0.000 0.958 657 D CB 0.881 41.452 40.800 -0.383 0.000 1.144 657 D HN 0.028 nan 8.370 nan 0.000 0.458 658 S N 0.429 115.963 115.700 -0.277 0.000 2.438 658 S HA 0.464 4.934 4.470 -0.000 0.000 0.293 658 S C -0.553 173.964 174.600 -0.138 0.000 1.141 658 S CA -0.540 57.603 58.200 -0.095 0.000 1.080 658 S CB 0.142 63.325 63.200 -0.028 0.000 0.978 658 S HN 0.194 nan 8.310 nan 0.000 0.479 659 F N 1.982 122.074 119.950 0.237 0.000 2.538 659 F HA 0.659 5.186 4.527 -0.000 0.000 0.325 659 F C -0.283 175.624 175.800 0.178 0.000 1.066 659 F CA -1.137 57.035 58.000 0.287 0.000 0.946 659 F CB 1.449 40.600 39.000 0.252 0.000 1.199 659 F HN 0.338 nan 8.300 nan 0.000 0.473 660 L N 4.477 125.863 121.223 0.271 0.000 2.427 660 L HA 0.559 4.899 4.340 -0.000 0.000 0.264 660 L C -1.495 175.264 176.870 -0.184 0.000 0.989 660 L CA -0.345 54.385 54.840 -0.185 0.000 0.865 660 L CB 0.431 42.025 42.059 -0.775 0.000 1.209 660 L HN 0.331 nan 8.230 nan 0.000 0.430 661 I N 5.662 125.944 120.570 -0.480 0.000 2.395 661 I HA 0.327 4.497 4.170 -0.000 0.000 0.289 661 I C -0.137 175.876 176.117 -0.172 0.000 1.023 661 I CA -0.284 60.786 61.300 -0.384 0.000 1.350 661 I CB 1.451 38.968 38.000 -0.806 0.000 1.409 661 I HN 0.464 nan 8.210 nan 0.000 0.507 662 I N 7.644 128.224 120.570 0.018 0.000 2.411 662 I HA 0.318 4.488 4.170 -0.000 0.000 0.284 662 I C -0.238 175.984 176.117 0.174 0.000 1.012 662 I CA -0.402 60.938 61.300 0.068 0.000 1.119 662 I CB 1.604 39.614 38.000 0.018 0.000 1.261 662 I HN 0.307 nan 8.210 nan 0.000 0.448 663 L N 5.906 127.254 121.223 0.209 0.000 2.387 663 L HA 0.340 4.680 4.340 -0.000 0.000 0.259 663 L C 0.074 177.003 176.870 0.097 0.000 1.050 663 L CA -0.430 54.550 54.840 0.234 0.000 0.922 663 L CB 0.616 42.828 42.059 0.256 0.000 1.280 663 L HN 0.479 nan 8.230 nan 0.000 0.449 664 N N 1.658 120.377 118.700 0.032 0.000 2.482 664 N HA 0.280 5.020 4.740 -0.000 0.000 0.242 664 N C 0.801 176.122 175.510 -0.315 0.000 1.100 664 N CA 0.001 52.998 53.050 -0.088 0.000 0.946 664 N CB 1.544 40.024 38.487 -0.013 0.000 1.227 664 N HN 0.572 nan 8.380 nan 0.000 0.508 665 A N 3.284 125.651 122.820 -0.755 0.000 2.123 665 A HA -0.004 4.316 4.320 -0.000 0.000 0.214 665 A C 1.013 178.243 177.584 -0.589 0.000 1.152 665 A CA -0.039 51.347 52.037 -1.085 0.000 0.728 665 A CB -0.548 17.009 19.000 -2.404 0.000 0.814 665 A HN 0.722 nan 8.150 nan 0.000 0.464 666 N N 0.808 119.268 118.700 -0.401 0.000 2.407 666 N HA 0.046 4.786 4.740 -0.000 0.000 0.250 666 N C -1.377 174.020 175.510 -0.188 0.000 1.236 666 N CA -0.999 51.900 53.050 -0.253 0.000 0.879 666 N CB 0.913 39.306 38.487 -0.156 0.000 1.088 666 N HN 0.044 nan 8.380 nan 0.000 0.450 667 P HA -0.030 nan 4.420 nan 0.000 0.224 667 P C -0.630 176.634 177.300 -0.059 0.000 1.157 667 P CA 0.869 63.890 63.100 -0.132 0.000 0.799 667 P CB 0.229 31.839 31.700 -0.149 0.000 0.809 668 N N -0.132 118.537 118.700 -0.051 0.000 2.413 668 N HA 0.133 4.872 4.740 -0.000 0.000 0.266 668 N C 0.335 175.844 175.510 -0.002 0.000 1.238 668 N CA -0.460 52.580 53.050 -0.017 0.000 0.972 668 N CB 0.015 38.491 38.487 -0.018 0.000 1.210 668 N HN -0.012 nan 8.380 nan 0.000 0.547 669 N N -0.795 117.917 118.700 0.020 0.000 2.371 669 N HA 0.339 5.078 4.740 -0.000 0.000 0.243 669 N C -0.916 174.610 175.510 0.027 0.000 1.287 669 N CA -0.235 52.838 53.050 0.039 0.000 0.911 669 N CB 0.617 39.133 38.487 0.050 0.000 1.142 669 N HN 0.291 nan 8.380 nan 0.000 0.451 670 V N -2.276 117.663 119.914 0.042 0.000 3.048 670 V HA 0.448 4.568 4.120 -0.000 0.000 0.303 670 V C -1.226 174.897 176.094 0.048 0.000 1.214 670 V CA -1.141 61.178 62.300 0.032 0.000 0.984 670 V CB 1.816 33.650 31.823 0.018 0.000 1.054 670 V HN 0.536 nan 8.190 nan 0.000 0.430 671 K N 2.347 122.770 120.400 0.039 0.000 2.156 671 K HA 0.847 5.167 4.320 -0.000 0.000 0.271 671 K C -1.033 175.590 176.600 0.037 0.000 0.995 671 K CA -0.669 55.647 56.287 0.048 0.000 0.890 671 K CB 2.106 34.631 32.500 0.040 0.000 1.073 671 K HN 0.648 nan 8.250 nan 0.000 0.454 672 V N 2.206 122.150 119.914 0.050 0.000 2.823 672 V HA 0.337 4.457 4.120 -0.000 0.000 0.312 672 V C -0.588 175.534 176.094 0.046 0.000 1.072 672 V CA -1.021 61.279 62.300 -0.000 0.000 0.937 672 V CB 1.853 33.620 31.823 -0.094 0.000 1.013 672 V HN 0.669 nan 8.190 nan 0.000 0.430 673 K N 3.060 123.452 120.400 -0.013 0.000 2.334 673 K HA 0.487 4.807 4.320 -0.000 0.000 0.265 673 K C -1.021 175.548 176.600 -0.052 0.000 1.039 673 K CA -0.521 55.786 56.287 0.034 0.000 0.920 673 K CB 0.446 32.945 32.500 -0.001 0.000 1.160 673 K HN 0.439 nan 8.250 nan 0.000 0.451 674 F N 5.517 125.324 119.950 -0.238 0.000 2.563 674 F HA 0.087 4.614 4.527 -0.000 0.000 0.363 674 F C -1.344 174.288 175.800 -0.279 0.000 1.123 674 F CA -1.514 56.270 58.000 -0.360 0.000 1.307 674 F CB -0.097 38.680 39.000 -0.372 0.000 1.115 674 F HN 0.519 nan 8.300 nan 0.000 0.592 675 P HA 0.051 nan 4.420 nan 0.000 0.275 675 P C 0.173 177.609 177.300 0.226 0.000 1.270 675 P CA -0.322 62.703 63.100 -0.125 0.000 0.791 675 P CB 0.779 32.285 31.700 -0.325 0.000 1.089 676 K N -0.280 120.236 120.400 0.193 0.000 2.103 676 K HA -0.063 4.256 4.320 -0.000 0.000 0.207 676 K C 1.580 178.294 176.600 0.190 0.000 1.048 676 K CA 1.444 57.822 56.287 0.151 0.000 0.930 676 K CB -0.953 31.606 32.500 0.098 0.000 0.716 676 K HN 0.583 nan 8.250 nan 0.000 0.444 677 G N 1.590 110.551 108.800 0.267 0.000 2.516 677 G HA2 0.032 3.992 3.960 -0.000 0.000 0.276 677 G HA3 0.032 3.992 3.960 -0.000 0.000 0.276 677 G C -0.764 174.075 174.900 -0.101 0.000 1.390 677 G CA -0.465 44.605 45.100 -0.051 0.000 1.050 677 G HN 0.086 nan 8.290 nan 0.000 0.519 678 K N -0.355 119.834 120.400 -0.351 0.000 2.425 678 K HA 0.347 4.667 4.320 -0.000 0.000 0.259 678 K C -1.656 174.792 176.600 -0.253 0.000 0.978 678 K CA -0.677 55.501 56.287 -0.181 0.000 0.883 678 K CB 1.019 33.451 32.500 -0.114 0.000 1.110 678 K HN 0.450 nan 8.250 nan 0.000 0.436 679 W N 2.134 123.442 121.300 0.013 0.000 2.706 679 W HA 0.384 5.044 4.660 -0.000 0.000 0.346 679 W C -0.260 176.375 176.519 0.194 0.000 1.071 679 W CA -0.602 56.811 57.345 0.114 0.000 1.206 679 W CB 1.651 31.199 29.460 0.146 0.000 1.413 679 W HN 0.506 nan 8.180 nan 0.000 0.542 680 E N 2.053 122.591 120.200 0.564 0.000 2.266 680 E HA 0.297 4.646 4.350 -0.000 0.000 0.268 680 E C -1.491 175.313 176.600 0.340 0.000 0.879 680 E CA -0.886 55.745 56.400 0.384 0.000 0.762 680 E CB 1.707 31.522 29.700 0.191 0.000 1.199 680 E HN 0.382 nan 8.360 nan 0.000 0.422 681 L N 6.659 127.948 121.223 0.110 0.000 2.315 681 L HA 0.184 4.524 4.340 -0.000 0.000 0.283 681 L C 0.045 176.823 176.870 -0.154 0.000 1.089 681 L CA 0.373 55.008 54.840 -0.342 0.000 0.833 681 L CB 1.202 43.149 42.059 -0.187 0.000 1.170 681 L HN 0.682 nan 8.230 nan 0.000 0.442 682 V N 7.578 127.380 119.914 -0.187 0.000 2.788 682 V HA 0.263 4.383 4.120 -0.000 0.000 0.241 682 V C 0.219 176.244 176.094 -0.115 0.000 1.083 682 V CA 0.464 62.737 62.300 -0.044 0.000 1.103 682 V CB 0.938 32.813 31.823 0.087 0.000 0.800 682 V HN 0.715 nan 8.190 nan 0.000 0.476 683 I N -0.129 120.329 120.570 -0.186 0.000 2.785 683 I HA 0.601 4.770 4.170 -0.000 0.000 0.293 683 I C -0.755 175.311 176.117 -0.085 0.000 1.446 683 I CA 0.215 61.423 61.300 -0.153 0.000 1.028 683 I CB 1.954 39.775 38.000 -0.298 0.000 1.349 683 I HN 0.308 nan 8.210 nan 0.000 0.438 684 S N 2.738 118.461 115.700 0.038 0.000 2.671 684 S HA 0.550 5.020 4.470 -0.000 0.000 0.277 684 S C 0.102 174.773 174.600 0.118 0.000 1.165 684 S CA 0.095 58.330 58.200 0.059 0.000 0.822 684 S CB 1.241 64.496 63.200 0.091 0.000 1.150 684 S HN 0.997 nan 8.310 nan 0.000 0.479 685 S N -0.929 114.747 115.700 -0.040 0.000 2.605 685 S HA 0.234 4.704 4.470 -0.000 0.000 0.217 685 S C -0.158 174.390 174.600 -0.088 0.000 0.958 685 S CA -0.551 57.589 58.200 -0.100 0.000 0.919 685 S CB -0.946 62.130 63.200 -0.206 0.000 0.780 685 S HN 0.620 nan 8.310 nan 0.000 0.507 686 Y N 1.415 121.743 120.300 0.047 0.000 2.526 686 Y HA 0.174 4.724 4.550 -0.000 0.000 0.330 686 Y C 1.264 177.184 175.900 0.033 0.000 1.156 686 Y CA -0.412 57.712 58.100 0.040 0.000 1.419 686 Y CB 0.515 39.011 38.460 0.058 0.000 1.250 686 Y HN 0.142 nan 8.280 nan 0.000 0.540 687 L N 3.057 124.403 121.223 0.205 0.000 2.298 687 L HA 0.047 4.387 4.340 -0.000 0.000 0.209 687 L C 0.989 177.920 176.870 0.101 0.000 1.084 687 L CA 0.068 54.975 54.840 0.113 0.000 0.816 687 L CB -0.081 42.015 42.059 0.061 0.000 0.967 687 L HN 0.593 nan 8.230 nan 0.000 0.460 688 R N 1.677 122.236 120.500 0.098 0.000 2.774 688 R HA 0.099 4.438 4.340 -0.000 0.000 0.269 688 R C 0.045 176.365 176.300 0.034 0.000 1.068 688 R CA -0.479 55.645 56.100 0.041 0.000 1.180 688 R CB -0.133 30.163 30.300 -0.007 0.000 1.077 688 R HN 0.135 nan 8.270 nan 0.000 0.513 689 E N 3.243 123.452 120.200 0.016 0.000 2.415 689 E HA 0.045 4.395 4.350 -0.000 0.000 0.263 689 E C 0.131 176.720 176.600 -0.018 0.000 0.995 689 E CA -0.712 55.697 56.400 0.015 0.000 0.915 689 E CB 0.428 30.135 29.700 0.013 0.000 0.951 689 E HN 0.551 nan 8.360 nan 0.000 0.449 690 I N 0.537 121.110 120.570 0.006 0.000 2.517 690 I HA 0.113 4.282 4.170 -0.000 0.000 0.285 690 I C 0.016 176.122 176.117 -0.017 0.000 1.106 690 I CA -0.458 60.834 61.300 -0.014 0.000 1.402 690 I CB -0.117 37.914 38.000 0.052 0.000 1.399 690 I HN 0.544 nan 8.210 nan 0.000 0.535 691 K N 8.234 128.605 120.400 -0.050 0.000 2.489 691 K HA 0.097 4.417 4.320 -0.000 0.000 0.278 691 K C -1.307 175.297 176.600 0.007 0.000 1.000 691 K CA -0.856 55.416 56.287 -0.026 0.000 1.012 691 K CB 0.435 32.910 32.500 -0.040 0.000 0.903 691 K HN 0.506 nan 8.250 nan 0.000 0.485 692 P HA -0.203 nan 4.420 nan 0.000 0.225 692 P C 0.441 177.757 177.300 0.026 0.000 1.148 692 P CA 1.327 64.440 63.100 0.021 0.000 0.779 692 P CB 0.214 31.923 31.700 0.014 0.000 0.780 693 E N 0.547 120.758 120.200 0.019 0.000 2.465 693 E HA -0.032 4.318 4.350 -0.000 0.000 0.191 693 E C 0.734 177.351 176.600 0.029 0.000 1.053 693 E CA 0.293 56.701 56.400 0.014 0.000 0.869 693 E CB -0.254 29.446 29.700 0.001 0.000 0.977 693 E HN 0.348 nan 8.360 nan 0.000 0.483 694 E N 0.640 120.880 120.200 0.066 0.000 2.460 694 E HA 0.168 4.518 4.350 -0.000 0.000 0.200 694 E C 1.615 178.339 176.600 0.207 0.000 1.011 694 E CA -0.199 56.287 56.400 0.144 0.000 0.912 694 E CB 0.297 30.099 29.700 0.169 0.000 0.953 694 E HN 0.136 nan 8.360 nan 0.000 0.494 695 R N 0.524 121.104 120.500 0.133 0.000 2.193 695 R HA 0.163 4.503 4.340 -0.000 0.000 0.213 695 R C 0.441 176.843 176.300 0.170 0.000 1.055 695 R CA 0.752 56.932 56.100 0.134 0.000 0.995 695 R CB 0.360 30.708 30.300 0.080 0.000 0.893 695 R HN 0.069 nan 8.270 nan 0.000 0.459 696 I N 1.044 121.694 120.570 0.133 0.000 2.590 696 I HA 0.190 4.359 4.170 -0.000 0.000 0.283 696 I C -1.296 174.821 176.117 -0.001 0.000 1.154 696 I CA -0.770 60.593 61.300 0.105 0.000 1.067 696 I CB 1.953 39.990 38.000 0.062 0.000 1.243 696 I HN -0.140 nan 8.210 nan 0.000 0.451 697 I N 5.436 125.955 120.570 -0.084 0.000 2.488 697 I HA 0.434 4.604 4.170 -0.000 0.000 0.299 697 I C 0.003 176.035 176.117 -0.142 0.000 0.984 697 I CA -0.093 61.003 61.300 -0.340 0.000 1.250 697 I CB 1.568 38.861 38.000 -1.179 0.000 1.389 697 I HN 0.518 nan 8.210 nan 0.000 0.488 698 E N 2.931 123.052 120.200 -0.131 0.000 2.321 698 E HA 0.532 4.882 4.350 -0.000 0.000 0.278 698 E C -0.379 176.213 176.600 -0.013 0.000 0.902 698 E CA -0.558 55.828 56.400 -0.024 0.000 0.758 698 E CB 1.562 31.246 29.700 -0.026 0.000 1.213 698 E HN 0.818 nan 8.360 nan 0.000 0.426 699 G N 4.181 113.003 108.800 0.038 0.000 2.353 699 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.294 699 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.294 699 G C 0.262 175.180 174.900 0.030 0.000 1.077 699 G CA 0.605 45.723 45.100 0.030 0.000 1.098 699 G HN 0.727 nan 8.290 nan 0.000 0.511 700 E N -2.317 117.920 120.200 0.062 0.000 3.253 700 E HA -0.272 4.078 4.350 -0.000 0.000 0.284 700 E C 1.082 177.703 176.600 0.035 0.000 0.958 700 E CA 1.857 58.288 56.400 0.052 0.000 0.917 700 E CB -1.049 28.670 29.700 0.032 0.000 1.466 700 E HN 0.994 nan 8.360 nan 0.000 0.455 701 K N 0.897 121.295 120.400 -0.003 0.000 2.274 701 K HA 0.058 4.378 4.320 -0.000 0.000 0.255 701 K C 0.304 176.906 176.600 0.003 0.000 1.005 701 K CA 0.703 56.967 56.287 -0.038 0.000 0.864 701 K CB 0.462 32.894 32.500 -0.113 0.000 1.013 701 K HN 0.044 nan 8.250 nan 0.000 0.519 702 E N 0.022 120.222 120.200 -0.000 0.000 2.299 702 E HA 0.484 4.834 4.350 -0.000 0.000 0.265 702 E C -1.574 175.060 176.600 0.056 0.000 0.911 702 E CA -1.014 55.426 56.400 0.067 0.000 0.789 702 E CB 1.815 31.545 29.700 0.050 0.000 1.246 702 E HN 0.286 nan 8.360 nan 0.000 0.427 703 L N 1.414 122.725 121.223 0.146 0.000 2.455 703 L HA 0.359 4.699 4.340 -0.000 0.000 0.264 703 L C -1.230 175.726 176.870 0.143 0.000 0.968 703 L CA -0.492 54.438 54.840 0.150 0.000 0.827 703 L CB 2.067 44.289 42.059 0.271 0.000 1.317 703 L HN 0.428 nan 8.230 nan 0.000 0.407 704 E N 3.936 124.205 120.200 0.114 0.000 2.257 704 E HA 0.414 4.764 4.350 -0.000 0.000 0.278 704 E C -1.141 175.557 176.600 0.164 0.000 1.049 704 E CA 0.337 56.803 56.400 0.110 0.000 0.876 704 E CB 0.524 30.271 29.700 0.077 0.000 1.035 704 E HN 0.537 nan 8.360 nan 0.000 0.419 705 I N 4.852 125.517 120.570 0.158 0.000 2.382 705 I HA 0.160 4.330 4.170 -0.000 0.000 0.285 705 I C 0.121 176.343 176.117 0.175 0.000 1.007 705 I CA -0.638 60.785 61.300 0.204 0.000 1.142 705 I CB 1.348 39.437 38.000 0.148 0.000 1.289 705 I HN 0.529 nan 8.210 nan 0.000 0.453 706 E N 3.844 124.204 120.200 0.267 0.000 2.437 706 E HA 0.096 4.446 4.350 -0.000 0.000 0.263 706 E C 0.639 177.301 176.600 0.105 0.000 1.030 706 E CA -0.099 56.422 56.400 0.202 0.000 0.934 706 E CB 0.662 30.561 29.700 0.331 0.000 0.943 706 E HN 0.733 nan 8.360 nan 0.000 0.444 707 G N 1.602 110.438 108.800 0.060 0.000 2.614 707 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.239 707 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.239 707 G C -0.479 174.428 174.900 0.012 0.000 1.240 707 G CA -0.449 44.655 45.100 0.006 0.000 0.842 707 G HN 0.699 nan 8.290 nan 0.000 0.584 708 R N -0.766 119.731 120.500 -0.006 0.000 2.974 708 R HA -0.150 4.190 4.340 -0.000 0.000 0.258 708 R C -0.702 175.656 176.300 0.096 0.000 0.892 708 R CA 0.831 56.988 56.100 0.095 0.000 0.664 708 R CB -2.379 27.945 30.300 0.041 0.000 1.478 708 R HN 0.469 nan 8.270 nan 0.000 0.498 709 T N 0.023 114.674 114.554 0.161 0.000 3.172 709 T HA 0.615 4.965 4.350 -0.000 0.000 0.320 709 T C -0.881 173.904 174.700 0.142 0.000 1.085 709 T CA -0.167 61.915 62.100 -0.029 0.000 1.052 709 T CB 1.839 70.555 68.868 -0.252 0.000 1.107 709 T HN 0.500 nan 8.240 nan 0.000 0.458 710 A N 3.383 126.262 122.820 0.098 0.000 2.342 710 A HA 0.932 5.252 4.320 -0.000 0.000 0.323 710 A C -1.423 176.212 177.584 0.084 0.000 1.125 710 A CA -0.603 51.567 52.037 0.222 0.000 0.785 710 A CB 0.597 19.783 19.000 0.311 0.000 1.221 710 A HN 0.660 nan 8.150 nan 0.000 0.463 711 L N 1.993 123.289 121.223 0.120 0.000 2.431 711 L HA 0.625 4.965 4.340 -0.000 0.000 0.266 711 L C -0.583 176.338 176.870 0.085 0.000 0.978 711 L CA -0.524 54.372 54.840 0.093 0.000 0.822 711 L CB 2.122 44.316 42.059 0.224 0.000 1.310 711 L HN 0.410 nan 8.230 nan 0.000 0.409 712 V N 2.108 122.005 119.914 -0.029 0.000 2.513 712 V HA 0.548 4.668 4.120 -0.000 0.000 0.299 712 V C -1.127 174.971 176.094 0.005 0.000 1.035 712 V CA -0.701 61.610 62.300 0.019 0.000 0.889 712 V CB 1.756 33.514 31.823 -0.108 0.000 0.988 712 V HN 0.519 nan 8.190 nan 0.000 0.440 713 Y N 2.666 123.113 120.300 0.245 0.000 2.477 713 Y HA 0.672 5.222 4.550 -0.000 0.000 0.347 713 Y C 0.060 176.249 175.900 0.482 0.000 0.981 713 Y CA -0.714 57.585 58.100 0.332 0.000 1.033 713 Y CB 2.297 40.902 38.460 0.241 0.000 1.245 713 Y HN 0.523 nan 8.280 nan 0.000 0.455 714 R N 2.845 123.693 120.500 0.580 0.000 2.534 714 R HA 0.421 4.761 4.340 -0.000 0.000 0.301 714 R C -0.827 175.579 176.300 0.175 0.000 0.961 714 R CA -0.926 55.317 56.100 0.237 0.000 0.871 714 R CB 1.127 31.402 30.300 -0.042 0.000 1.170 714 R HN 0.682 nan 8.270 nan 0.000 0.446 715 R N 6.893 127.192 120.500 -0.335 0.000 2.308 715 R HA 0.102 4.442 4.340 -0.000 0.000 0.325 715 R C 0.937 176.920 176.300 -0.528 0.000 1.161 715 R CA -0.059 55.414 56.100 -1.045 0.000 1.022 715 R CB 0.096 29.181 30.300 -2.025 0.000 1.091 715 R HN 0.822 nan 8.270 nan 0.000 0.497 716 I N -0.282 120.093 120.570 -0.326 0.000 2.676 716 I HA 0.113 4.283 4.170 -0.000 0.000 0.259 716 I C 0.432 176.432 176.117 -0.195 0.000 1.194 716 I CA 0.746 61.934 61.300 -0.188 0.000 1.473 716 I CB -0.025 37.919 38.000 -0.093 0.000 1.096 716 I HN 0.491 nan 8.210 nan 0.000 0.443 717 E N 0.731 120.776 120.200 -0.259 0.000 2.392 717 E HA 0.631 4.981 4.350 -0.000 0.000 0.279 717 E C -1.803 174.657 176.600 -0.234 0.000 0.964 717 E CA -0.729 55.554 56.400 -0.196 0.000 0.777 717 E CB 2.849 32.472 29.700 -0.128 0.000 1.249 717 E HN 0.196 nan 8.360 nan 0.000 0.449 718 L N 0.000 121.129 121.223 -0.157 0.000 2.949 718 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 718 L CA 0.000 54.766 54.840 -0.124 0.000 0.813 718 L CB 0.000 41.983 42.059 -0.127 0.000 0.961 718 L HN 0.000 nan 8.230 nan 0.000 0.502