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 1fss_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.657 174.600 0.095 0.000 1.055 4 S CA 0.000 58.241 58.200 0.068 0.000 1.107 4 S CB 0.000 63.241 63.200 0.068 0.000 0.593 5 E N -0.161 120.108 120.200 0.114 0.000 2.190 5 E HA 0.192 4.539 4.350 -0.005 0.000 0.191 5 E C 1.200 177.943 176.600 0.240 0.000 0.978 5 E CA 0.465 56.960 56.400 0.158 0.000 0.839 5 E CB -0.209 29.581 29.700 0.149 0.000 0.787 5 E HN 0.606 nan 8.360 nan 0.000 0.473 6 L N 1.439 122.775 121.223 0.189 0.000 2.650 6 L HA 0.119 4.457 4.340 -0.005 0.000 0.235 6 L C 0.273 177.363 176.870 0.367 0.000 1.149 6 L CA -0.108 54.853 54.840 0.202 0.000 0.887 6 L CB -0.004 42.086 42.059 0.053 0.000 1.021 6 L HN 0.133 nan 8.230 nan 0.000 0.441 7 L N 0.544 121.939 121.223 0.286 0.000 2.325 7 L HA 0.561 4.898 4.340 -0.005 0.000 0.281 7 L C -0.750 176.184 176.870 0.106 0.000 1.004 7 L CA -0.343 54.630 54.840 0.223 0.000 0.823 7 L CB 1.805 43.943 42.059 0.132 0.000 1.236 7 L HN -0.317 nan 8.230 nan 0.000 0.415 8 V N 5.275 125.191 119.914 0.002 0.000 2.569 8 V HA 0.392 4.509 4.120 -0.005 0.000 0.301 8 V C -0.328 175.599 176.094 -0.277 0.000 1.044 8 V CA -0.800 61.320 62.300 -0.300 0.000 0.874 8 V CB 1.925 33.204 31.823 -0.908 0.000 1.002 8 V HN 0.812 nan 8.190 nan 0.000 0.424 9 N N 2.785 121.303 118.700 -0.302 0.000 2.419 9 N HA 0.434 5.171 4.740 -0.005 0.000 0.264 9 N C 0.055 175.258 175.510 -0.511 0.000 1.031 9 N CA -0.237 52.622 53.050 -0.319 0.000 0.951 9 N CB 1.151 39.451 38.487 -0.312 0.000 1.101 9 N HN 0.856 nan 8.380 nan 0.000 0.488 10 T N 0.246 114.594 114.554 -0.344 0.000 2.936 10 T HA 0.173 4.520 4.350 -0.005 0.000 0.282 10 T C 1.234 175.692 174.700 -0.403 0.000 1.003 10 T CA -0.675 61.234 62.100 -0.318 0.000 1.005 10 T CB 1.643 70.533 68.868 0.036 0.000 1.097 10 T HN 0.539 nan 8.240 nan 0.000 0.532 11 K N 0.201 120.389 120.400 -0.353 0.000 2.211 11 K HA -0.114 4.203 4.320 -0.005 0.000 0.204 11 K C 1.790 178.229 176.600 -0.268 0.000 1.047 11 K CA 1.732 57.849 56.287 -0.283 0.000 0.935 11 K CB -0.409 31.975 32.500 -0.193 0.000 0.728 11 K HN 0.694 nan 8.250 nan 0.000 0.452 12 S N -1.131 114.404 115.700 -0.275 0.000 2.556 12 S HA 0.334 4.801 4.470 -0.005 0.000 0.216 12 S C 0.428 174.406 174.600 -1.036 0.000 0.970 12 S CA -0.121 57.856 58.200 -0.371 0.000 0.912 12 S CB 0.824 64.014 63.200 -0.016 0.000 0.790 12 S HN 0.512 nan 8.310 nan 0.000 0.504 13 G N 0.647 108.886 108.800 -0.935 0.000 2.359 13 G HA2 0.180 4.137 3.960 -0.005 0.000 0.314 13 G HA3 0.180 4.137 3.960 -0.005 0.000 0.314 13 G C -1.833 172.787 174.900 -0.466 0.000 1.364 13 G CA -1.249 43.136 45.100 -1.191 0.000 0.978 13 G HN 0.210 nan 8.290 nan 0.000 0.615 14 K N -0.452 119.882 120.400 -0.111 0.000 2.218 14 K HA 0.631 4.948 4.320 -0.005 0.000 0.276 14 K C -0.217 176.716 176.600 0.556 0.000 1.022 14 K CA -0.531 55.861 56.287 0.176 0.000 0.946 14 K CB 1.881 34.463 32.500 0.136 0.000 1.000 14 K HN 0.362 nan 8.250 nan 0.000 0.468 15 V N 3.603 123.783 119.914 0.445 0.000 2.769 15 V HA 0.486 4.603 4.120 -0.005 0.000 0.312 15 V C -0.621 175.779 176.094 0.510 0.000 1.061 15 V CA -0.976 61.671 62.300 0.578 0.000 0.931 15 V CB 1.892 34.076 31.823 0.602 0.000 1.010 15 V HN 0.798 nan 8.190 nan 0.000 0.433 16 M N 2.534 122.466 119.600 0.553 0.000 2.267 16 M HA 0.736 5.214 4.480 -0.005 0.000 0.289 16 M C -0.162 176.345 176.300 0.344 0.000 1.043 16 M CA -0.187 55.382 55.300 0.449 0.000 0.928 16 M CB 1.783 34.536 32.600 0.254 0.000 1.613 16 M HN 0.826 nan 8.290 nan 0.000 0.450 17 G N 1.846 110.685 108.800 0.065 0.000 2.990 17 G HA2 0.867 4.824 3.960 -0.005 0.000 0.208 17 G HA3 0.867 4.824 3.960 -0.005 0.000 0.208 17 G C -0.978 173.747 174.900 -0.291 0.000 1.334 17 G CA -0.352 44.498 45.100 -0.417 0.000 1.024 17 G HN 0.722 nan 8.290 nan 0.000 0.574 18 T N -2.334 112.013 114.554 -0.345 0.000 2.841 18 T HA 0.571 4.918 4.350 -0.005 0.000 0.296 18 T C -0.798 173.815 174.700 -0.146 0.000 1.166 18 T CA -0.927 61.062 62.100 -0.185 0.000 1.007 18 T CB 1.916 70.703 68.868 -0.135 0.000 1.253 18 T HN 0.441 nan 8.240 nan 0.000 0.511 19 R N 1.412 121.880 120.500 -0.053 0.000 2.248 19 R HA 0.514 4.851 4.340 -0.005 0.000 0.337 19 R C 0.168 176.482 176.300 0.024 0.000 1.106 19 R CA -0.671 55.458 56.100 0.047 0.000 0.959 19 R CB 0.431 30.762 30.300 0.052 0.000 1.075 19 R HN 0.633 nan 8.270 nan 0.000 0.480 20 V N 1.111 121.041 119.914 0.027 0.000 2.509 20 V HA 0.461 4.578 4.120 -0.005 0.000 0.284 20 V C -2.378 173.718 176.094 0.004 0.000 1.047 20 V CA -2.920 59.384 62.300 0.007 0.000 0.952 20 V CB 1.208 33.056 31.823 0.041 0.000 0.988 20 V HN 0.488 nan 8.190 nan 0.000 0.469 21 P HA 0.361 nan 4.420 nan 0.000 0.282 21 P C -0.725 176.482 177.300 -0.155 0.000 1.274 21 P CA -0.092 62.976 63.100 -0.054 0.000 0.770 21 P CB 1.088 32.761 31.700 -0.044 0.000 0.867 22 V N 5.916 125.676 119.914 -0.256 0.000 2.304 22 V HA 0.219 4.336 4.120 -0.005 0.000 0.278 22 V C 1.143 177.000 176.094 -0.396 0.000 1.018 22 V CA -0.407 61.637 62.300 -0.426 0.000 0.814 22 V CB -0.111 31.323 31.823 -0.647 0.000 1.021 22 V HN 0.610 nan 8.190 nan 0.000 0.440 23 L N 2.887 124.019 121.223 -0.152 0.000 5.323 23 L HA -0.387 3.950 4.340 -0.005 0.000 0.053 23 L C 2.049 178.864 176.870 -0.092 0.000 3.097 23 L CA 1.699 56.498 54.840 -0.068 0.000 1.447 23 L CB -1.705 40.334 42.059 -0.033 0.000 2.992 23 L HN 0.612 nan 8.230 nan 0.000 0.968 24 S N -0.903 114.741 115.700 -0.093 0.000 2.371 24 S HA 0.038 4.505 4.470 -0.005 0.000 0.221 24 S C 1.021 175.586 174.600 -0.058 0.000 1.036 24 S CA 0.910 59.085 58.200 -0.042 0.000 0.965 24 S CB 0.232 63.442 63.200 0.017 0.000 0.845 24 S HN 0.497 nan 8.310 nan 0.000 0.475 25 S N 0.353 115.969 115.700 -0.140 0.000 2.401 25 S HA 0.352 4.819 4.470 -0.005 0.000 0.249 25 S C 0.029 174.575 174.600 -0.090 0.000 1.237 25 S CA -0.310 57.846 58.200 -0.074 0.000 1.000 25 S CB 0.116 63.291 63.200 -0.041 0.000 1.013 25 S HN 0.791 nan 8.310 nan 0.000 0.494 26 H N -1.909 117.064 119.070 -0.163 0.000 2.966 26 H HA 0.826 5.379 4.556 -0.005 0.000 0.330 26 H C -1.116 174.185 175.328 -0.045 0.000 1.292 26 H CA -0.961 55.013 56.048 -0.124 0.000 1.127 26 H CB 0.792 30.517 29.762 -0.061 0.000 1.863 26 H HN 0.482 nan 8.280 nan 0.000 0.543 27 I N 0.269 120.721 120.570 -0.196 0.000 3.004 27 I HA 0.328 4.495 4.170 -0.005 0.000 0.305 27 I C -0.932 175.193 176.117 0.013 0.000 1.312 27 I CA -0.817 60.409 61.300 -0.124 0.000 0.992 27 I CB 2.615 40.641 38.000 0.043 0.000 1.282 27 I HN 0.799 nan 8.210 nan 0.000 0.449 28 S N 3.206 118.925 115.700 0.032 0.000 2.562 28 S HA 0.780 5.247 4.470 -0.005 0.000 0.275 28 S C -0.488 174.037 174.600 -0.126 0.000 1.281 28 S CA -0.518 57.658 58.200 -0.041 0.000 1.045 28 S CB 1.448 64.675 63.200 0.045 0.000 0.962 28 S HN 0.620 nan 8.310 nan 0.000 0.503 29 A N 2.265 124.834 122.820 -0.419 0.000 2.427 29 A HA 0.726 5.043 4.320 -0.005 0.000 0.298 29 A C -1.373 175.769 177.584 -0.737 0.000 1.036 29 A CA -0.675 51.011 52.037 -0.584 0.000 0.701 29 A CB 0.612 19.248 19.000 -0.607 0.000 1.250 29 A HN 0.659 nan 8.150 nan 0.000 0.412 30 F N 2.954 122.725 119.950 -0.298 0.000 2.307 30 F HA 0.403 4.927 4.527 -0.005 0.000 0.369 30 F C -0.096 175.552 175.800 -0.253 0.000 1.076 30 F CA -0.367 57.551 58.000 -0.137 0.000 1.149 30 F CB 1.127 40.149 39.000 0.037 0.000 1.410 30 F HN 0.369 nan 8.300 nan 0.000 0.481 31 L N 2.966 124.088 121.223 -0.168 0.000 2.260 31 L HA 0.618 4.955 4.340 -0.005 0.000 0.289 31 L C 0.942 177.820 176.870 0.013 0.000 1.057 31 L CA -0.462 54.273 54.840 -0.175 0.000 0.811 31 L CB 0.739 42.600 42.059 -0.330 0.000 1.184 31 L HN 0.877 nan 8.230 nan 0.000 0.429 32 G N 3.434 112.274 108.800 0.067 0.000 2.135 32 G HA2 -0.194 3.764 3.960 -0.005 0.000 0.183 32 G HA3 -0.194 3.764 3.960 -0.005 0.000 0.183 32 G C -0.079 174.922 174.900 0.168 0.000 1.004 32 G CA -0.739 44.433 45.100 0.120 0.000 0.677 32 G HN 0.522 nan 8.290 nan 0.000 0.512 33 I N 1.643 122.209 120.570 -0.008 0.000 2.517 33 I HA 0.218 4.386 4.170 -0.005 0.000 0.285 33 I C -1.876 174.024 176.117 -0.362 0.000 1.106 33 I CA -1.812 59.313 61.300 -0.291 0.000 1.402 33 I CB 0.848 38.639 38.000 -0.348 0.000 1.399 33 I HN -0.104 nan 8.210 nan 0.000 0.535 34 P HA 0.033 nan 4.420 nan 0.000 0.276 34 P C -0.113 176.906 177.300 -0.469 0.000 1.235 34 P CA 0.002 62.672 63.100 -0.715 0.000 0.772 34 P CB 0.340 31.539 31.700 -0.835 0.000 0.871 35 F N 1.635 121.315 119.950 -0.450 0.000 2.706 35 F HA 0.770 5.294 4.527 -0.005 0.000 0.313 35 F C 0.006 175.744 175.800 -0.102 0.000 1.096 35 F CA -0.886 56.940 58.000 -0.291 0.000 1.219 35 F CB 0.068 38.851 39.000 -0.362 0.000 1.051 35 F HN 0.246 nan 8.300 nan 0.000 0.568 36 A N 0.100 122.623 122.820 -0.494 0.000 2.604 36 A HA 0.592 4.909 4.320 -0.005 0.000 0.295 36 A C -1.343 176.054 177.584 -0.312 0.000 1.067 36 A CA -0.746 51.103 52.037 -0.314 0.000 0.683 36 A CB 0.879 19.656 19.000 -0.372 0.000 1.281 36 A HN 0.064 nan 8.150 nan 0.000 0.407 37 E N 2.327 122.437 120.200 -0.150 0.000 2.376 37 E HA 0.332 4.679 4.350 -0.005 0.000 0.266 37 E C -2.133 174.379 176.600 -0.146 0.000 1.009 37 E CA -1.446 54.889 56.400 -0.108 0.000 0.902 37 E CB 0.438 30.117 29.700 -0.036 0.000 0.972 37 E HN 0.374 nan 8.360 nan 0.000 0.439 38 P HA -0.048 nan 4.420 nan 0.000 0.255 38 P C -2.323 174.929 177.300 -0.081 0.000 1.173 38 P CA -0.867 62.160 63.100 -0.121 0.000 0.780 38 P CB 0.037 31.706 31.700 -0.051 0.000 0.758 39 P HA -0.019 nan 4.420 nan 0.000 0.262 39 P C 0.459 177.726 177.300 -0.055 0.000 1.647 39 P CA 0.133 63.197 63.100 -0.060 0.000 0.865 39 P CB -0.109 31.558 31.700 -0.056 0.000 1.834 40 V N -0.129 119.758 119.914 -0.045 0.000 5.049 40 V HA 0.398 4.515 4.120 -0.005 0.000 0.272 40 V C 2.185 178.259 176.094 -0.033 0.000 1.299 40 V CA 0.452 62.729 62.300 -0.039 0.000 0.684 40 V CB -0.919 30.889 31.823 -0.024 0.000 1.251 40 V HN 0.430 nan 8.190 nan 0.000 0.380 41 G N 0.945 109.735 108.800 -0.017 0.000 2.668 41 G HA2 -0.384 3.573 3.960 -0.005 0.000 0.429 41 G HA3 -0.384 3.573 3.960 -0.005 0.000 0.429 41 G C 0.789 175.684 174.900 -0.007 0.000 1.182 41 G CA 1.273 46.370 45.100 -0.005 0.000 0.911 41 G HN 0.689 nan 8.290 nan 0.000 0.631 42 N N 0.473 119.180 118.700 0.013 0.000 2.463 42 N HA 0.056 4.793 4.740 -0.005 0.000 0.181 42 N C 2.278 177.793 175.510 0.008 0.000 1.078 42 N CA 0.910 53.979 53.050 0.032 0.000 0.902 42 N CB -0.095 38.426 38.487 0.057 0.000 0.970 42 N HN 0.542 nan 8.380 nan 0.000 0.451 43 M N 0.381 119.976 119.600 -0.008 0.000 2.700 43 M HA -0.019 4.458 4.480 -0.005 0.000 0.249 43 M C 0.902 177.177 176.300 -0.043 0.000 1.082 43 M CA 0.361 55.652 55.300 -0.014 0.000 1.077 43 M CB -0.119 32.471 32.600 -0.016 0.000 1.477 43 M HN -0.013 nan 8.290 nan 0.000 0.529 44 R N 0.598 121.034 120.500 -0.107 0.000 2.442 44 R HA 0.038 4.375 4.340 -0.005 0.000 0.291 44 R C -0.283 175.868 176.300 -0.248 0.000 1.069 44 R CA 0.336 56.274 56.100 -0.270 0.000 1.022 44 R CB 0.317 30.329 30.300 -0.480 0.000 0.976 44 R HN 0.197 nan 8.270 nan 0.000 0.443 45 F N -0.274 119.675 119.950 -0.002 0.000 2.498 45 F HA -0.297 4.227 4.527 -0.005 0.000 0.563 45 F C 0.606 176.374 175.800 -0.053 0.000 0.514 45 F CA 0.907 58.874 58.000 -0.056 0.000 1.189 45 F CB -1.377 37.571 39.000 -0.087 0.000 1.924 45 F HN 0.625 nan 8.300 nan 0.000 0.261 46 R N 1.259 121.830 120.500 0.119 0.000 2.649 46 R HA 0.494 4.831 4.340 -0.005 0.000 0.270 46 R C 0.590 176.912 176.300 0.037 0.000 1.105 46 R CA -0.765 55.372 56.100 0.062 0.000 1.193 46 R CB 0.428 30.752 30.300 0.040 0.000 1.120 46 R HN 0.107 nan 8.270 nan 0.000 0.561 47 R N 1.848 122.366 120.500 0.030 0.000 2.643 47 R HA 0.113 4.450 4.340 -0.005 0.000 0.270 47 R C -1.875 174.445 176.300 0.033 0.000 1.061 47 R CA -1.259 54.860 56.100 0.031 0.000 1.107 47 R CB -0.144 30.178 30.300 0.037 0.000 0.999 47 R HN 0.436 nan 8.270 nan 0.000 0.460 48 P HA 0.005 nan 4.420 nan 0.000 0.271 48 P C -0.751 176.576 177.300 0.045 0.000 1.233 48 P CA 0.181 63.306 63.100 0.042 0.000 0.789 48 P CB 0.747 32.499 31.700 0.086 0.000 0.951 49 E N 0.539 120.757 120.200 0.029 0.000 2.288 49 E HA 0.422 4.769 4.350 -0.005 0.000 0.268 49 E C -2.477 174.151 176.600 0.047 0.000 0.885 49 E CA -2.191 54.231 56.400 0.036 0.000 0.767 49 E CB 1.420 31.132 29.700 0.021 0.000 1.220 49 E HN 0.269 nan 8.360 nan 0.000 0.427 50 P HA 0.026 nan 4.420 nan 0.000 0.269 50 P C -0.459 176.890 177.300 0.082 0.000 1.209 50 P CA -0.264 62.900 63.100 0.107 0.000 0.776 50 P CB 0.480 32.244 31.700 0.107 0.000 0.876 51 K N 3.480 123.942 120.400 0.104 0.000 2.363 51 K HA 0.050 4.367 4.320 -0.005 0.000 0.289 51 K C -0.196 176.501 176.600 0.162 0.000 1.063 51 K CA 0.298 56.641 56.287 0.093 0.000 0.967 51 K CB -0.456 32.093 32.500 0.083 0.000 0.987 51 K HN 0.205 nan 8.250 nan 0.000 0.473 52 K N 6.111 126.592 120.400 0.135 0.000 2.472 52 K HA 0.019 4.336 4.320 -0.005 0.000 0.280 52 K C -2.130 174.598 176.600 0.214 0.000 1.028 52 K CA -1.290 55.080 56.287 0.138 0.000 1.045 52 K CB 0.033 32.600 32.500 0.112 0.000 0.902 52 K HN 0.510 nan 8.250 nan 0.000 0.478 53 P HA -0.142 nan 4.420 nan 0.000 0.261 53 P C -1.008 176.373 177.300 0.135 0.000 1.165 53 P CA 0.360 63.454 63.100 -0.009 0.000 0.759 53 P CB 0.179 31.819 31.700 -0.101 0.000 0.772 54 W N 1.843 123.220 121.300 0.127 0.000 2.497 54 W HA 0.626 5.284 4.660 -0.004 0.000 0.359 54 W C -0.639 175.960 176.519 0.133 0.000 1.131 54 W CA -1.003 56.444 57.345 0.169 0.000 1.280 54 W CB 0.158 29.807 29.460 0.315 0.000 1.319 54 W HN 0.319 nan 8.180 nan 0.000 0.626 55 S N 1.805 117.714 115.700 0.348 0.000 2.422 55 S HA 0.820 5.288 4.470 -0.005 0.000 0.308 55 S C 0.182 174.945 174.600 0.272 0.000 1.097 55 S CA -0.011 58.309 58.200 0.200 0.000 1.099 55 S CB 0.589 63.868 63.200 0.133 0.000 0.976 55 S HN 1.953 nan 8.310 nan 0.000 0.471 56 G N 1.241 110.175 108.800 0.223 0.000 2.466 56 G HA2 -0.024 3.933 3.960 -0.005 0.000 0.316 56 G HA3 -0.024 3.933 3.960 -0.005 0.000 0.316 56 G C -1.094 174.015 174.900 0.348 0.000 1.270 56 G CA -0.540 44.695 45.100 0.226 0.000 0.982 56 G HN 1.353 nan 8.290 nan 0.000 0.506 57 V N 1.446 121.528 119.914 0.280 0.000 2.383 57 V HA 0.451 4.568 4.120 -0.005 0.000 0.275 57 V C 0.576 176.867 176.094 0.329 0.000 1.036 57 V CA -0.454 62.047 62.300 0.335 0.000 0.889 57 V CB 1.428 33.373 31.823 0.203 0.000 0.985 57 V HN 0.651 nan 8.190 nan 0.000 0.459 58 W N 4.957 126.451 121.300 0.323 0.000 2.218 58 W HA 0.225 4.882 4.660 -0.005 0.000 0.326 58 W C 0.168 176.723 176.519 0.060 0.000 1.276 58 W CA -0.377 56.968 57.345 -0.000 0.000 1.210 58 W CB 0.889 30.180 29.460 -0.281 0.000 1.143 58 W HN 0.632 nan 8.180 nan 0.000 0.563 59 N N 3.969 122.457 118.700 -0.353 0.000 2.645 59 N HA 0.313 5.050 4.740 -0.005 0.000 0.233 59 N C -0.421 175.160 175.510 0.118 0.000 1.058 59 N CA -0.043 52.952 53.050 -0.091 0.000 0.942 59 N CB 0.526 38.876 38.487 -0.228 0.000 1.210 59 N HN 0.341 nan 8.380 nan 0.000 0.512 60 A N 2.389 125.403 122.820 0.323 0.000 3.260 60 A HA 0.223 4.540 4.320 -0.005 0.000 0.268 60 A C 1.066 178.689 177.584 0.065 0.000 1.491 60 A CA -0.263 51.952 52.037 0.296 0.000 1.181 60 A CB -0.625 18.643 19.000 0.445 0.000 1.137 60 A HN 0.642 nan 8.150 nan 0.000 0.642 61 S N -1.505 114.189 115.700 -0.009 0.000 2.524 61 S HA 0.150 4.617 4.470 -0.005 0.000 0.222 61 S C 0.641 175.167 174.600 -0.124 0.000 1.040 61 S CA 0.288 58.430 58.200 -0.096 0.000 0.915 61 S CB 0.142 63.294 63.200 -0.079 0.000 0.831 61 S HN 0.322 nan 8.310 nan 0.000 0.492 62 T N 2.231 116.734 114.554 -0.085 0.000 2.885 62 T HA 0.518 4.866 4.350 -0.005 0.000 0.285 62 T C -1.229 173.453 174.700 -0.030 0.000 1.019 62 T CA -0.408 61.648 62.100 -0.073 0.000 1.010 62 T CB 0.778 69.617 68.868 -0.047 0.000 1.022 62 T HN 0.155 nan 8.240 nan 0.000 0.466 63 Y N 4.298 124.576 120.300 -0.038 0.000 2.717 63 Y HA 0.147 4.694 4.550 -0.005 0.000 0.330 63 Y C -1.309 174.535 175.900 -0.093 0.000 1.217 63 Y CA -1.678 56.402 58.100 -0.033 0.000 1.506 63 Y CB -0.026 38.436 38.460 0.004 0.000 1.268 63 Y HN 0.425 nan 8.280 nan 0.000 0.561 64 P HA -0.046 nan 4.420 nan 0.000 0.274 64 P C -0.734 176.472 177.300 -0.157 0.000 1.264 64 P CA -0.162 62.806 63.100 -0.219 0.000 0.795 64 P CB 0.804 32.370 31.700 -0.223 0.000 1.064 65 N N -0.083 118.477 118.700 -0.233 0.000 2.513 65 N HA 0.111 4.848 4.740 -0.005 0.000 0.274 65 N C 0.122 175.622 175.510 -0.017 0.000 1.189 65 N CA -0.415 52.579 53.050 -0.093 0.000 0.975 65 N CB 0.276 38.728 38.487 -0.058 0.000 1.157 65 N HN 0.364 nan 8.380 nan 0.000 0.465 66 N N 0.317 118.995 118.700 -0.036 0.000 2.476 66 N HA 0.280 5.017 4.740 -0.005 0.000 0.275 66 N C -0.687 174.805 175.510 -0.030 0.000 1.190 66 N CA -0.360 52.669 53.050 -0.034 0.000 0.977 66 N CB 0.746 39.182 38.487 -0.085 0.000 1.200 66 N HN 0.418 nan 8.380 nan 0.000 0.515 67 c N 0.897 119.482 118.600 -0.026 0.000 2.539 67 c HA 0.182 4.749 4.570 -0.005 0.000 0.392 67 c C 0.569 174.598 174.090 -0.102 0.000 1.269 67 c CA -0.875 55.421 56.329 -0.056 0.000 2.250 67 c CB 0.106 42.615 42.510 -0.002 0.000 2.584 67 c HN 0.463 nan 8.230 nan 0.000 0.589 68 Q N 2.859 122.518 119.800 -0.235 0.000 2.262 68 Q HA 0.137 4.474 4.340 -0.005 0.000 0.298 68 Q C 0.070 176.043 176.000 -0.045 0.000 1.083 68 Q CA 1.123 56.765 55.803 -0.269 0.000 0.962 68 Q CB 0.081 28.352 28.738 -0.778 0.000 1.104 68 Q HN 0.935 nan 8.270 nan 0.000 0.376 69 Q N 1.382 121.239 119.800 0.095 0.000 2.782 69 Q HA 0.372 4.710 4.340 -0.005 0.000 0.308 69 Q C -1.410 174.783 176.000 0.321 0.000 0.883 69 Q CA -1.041 54.914 55.803 0.253 0.000 0.755 69 Q CB 0.829 29.681 28.738 0.189 0.000 1.454 69 Q HN 0.430 nan 8.270 nan 0.000 0.452 70 Y N 0.969 121.472 120.300 0.338 0.000 2.319 70 Y HA 0.502 5.049 4.550 -0.004 0.000 0.328 70 Y C -1.056 175.020 175.900 0.293 0.000 1.133 70 Y CA -0.354 57.968 58.100 0.371 0.000 1.265 70 Y CB 1.254 40.070 38.460 0.594 0.000 1.218 70 Y HN 0.431 nan 8.280 nan 0.000 0.508 71 V N 6.391 126.036 119.914 -0.449 0.000 2.370 71 V HA 0.130 4.247 4.120 -0.005 0.000 0.279 71 V C -0.359 175.231 176.094 -0.840 0.000 1.029 71 V CA -0.909 61.139 62.300 -0.420 0.000 0.870 71 V CB 1.248 32.956 31.823 -0.192 0.000 0.984 71 V HN 0.717 nan 8.190 nan 0.000 0.451 72 D N 4.173 124.313 120.400 -0.433 0.000 2.422 72 D HA 0.161 4.798 4.640 -0.005 0.000 0.227 72 D C 0.313 176.602 176.300 -0.018 0.000 1.190 72 D CA -0.166 53.735 54.000 -0.165 0.000 0.905 72 D CB 0.872 41.831 40.800 0.266 0.000 1.034 72 D HN 0.498 nan 8.370 nan 0.000 0.507 73 E N 2.530 122.692 120.200 -0.062 0.000 2.411 73 E HA -0.024 4.323 4.350 -0.005 0.000 0.228 73 E C 1.044 177.600 176.600 -0.074 0.000 1.169 73 E CA -0.195 56.191 56.400 -0.023 0.000 1.421 73 E CB 0.972 30.654 29.700 -0.029 0.000 1.333 73 E HN 0.449 nan 8.360 nan 0.000 0.434 74 Q N -0.233 119.478 119.800 -0.148 0.000 2.084 74 Q HA -0.077 4.261 4.340 -0.005 0.000 0.202 74 Q C -0.156 175.405 176.000 -0.733 0.000 0.978 74 Q CA 1.358 56.834 55.803 -0.545 0.000 0.844 74 Q CB 0.163 28.418 28.738 -0.806 0.000 0.898 74 Q HN 0.146 nan 8.270 nan 0.000 0.426 75 F N 0.426 120.427 119.950 0.085 0.000 2.449 75 F HA 0.412 4.936 4.527 -0.006 0.000 0.344 75 F C -2.197 173.656 175.800 0.088 0.000 1.180 75 F CA -3.108 54.925 58.000 0.054 0.000 1.209 75 F CB 0.942 39.992 39.000 0.083 0.000 1.440 75 F HN -0.126 nan 8.300 nan 0.000 0.526 76 P HA 0.035 nan 4.420 nan 0.000 0.255 76 P C 0.983 178.349 177.300 0.110 0.000 1.161 76 P CA 1.425 64.578 63.100 0.088 0.000 0.768 76 P CB 0.263 31.986 31.700 0.039 0.000 0.746 77 G N 2.739 111.601 108.800 0.104 0.000 2.148 77 G HA2 -0.287 3.670 3.960 -0.005 0.000 0.254 77 G HA3 -0.287 3.670 3.960 -0.005 0.000 0.254 77 G C -0.075 174.911 174.900 0.145 0.000 0.981 77 G CA -0.590 44.562 45.100 0.086 0.000 0.670 77 G HN 0.510 nan 8.290 nan 0.000 0.528 78 F N 2.795 122.743 119.950 -0.003 0.000 2.424 78 F HA 0.538 5.062 4.527 -0.006 0.000 0.356 78 F C 1.567 177.310 175.800 -0.094 0.000 1.110 78 F CA -1.006 56.946 58.000 -0.080 0.000 1.161 78 F CB 1.124 40.073 39.000 -0.085 0.000 1.115 78 F HN 0.220 nan 8.300 nan 0.000 0.507 79 S N 2.632 118.119 115.700 -0.355 0.000 2.507 79 S HA -0.041 4.426 4.470 -0.005 0.000 0.235 79 S C 1.946 176.170 174.600 -0.628 0.000 0.988 79 S CA 0.648 58.598 58.200 -0.417 0.000 0.944 79 S CB -0.659 62.368 63.200 -0.288 0.000 0.762 79 S HN 0.780 nan 8.310 nan 0.000 0.526 80 G N 1.495 109.446 108.800 -1.415 0.000 2.494 80 G HA2 0.020 3.977 3.960 -0.005 0.000 0.216 80 G HA3 0.020 3.977 3.960 -0.005 0.000 0.216 80 G C 1.586 176.528 174.900 0.069 0.000 1.140 80 G CA 0.742 45.237 45.100 -1.008 0.000 0.801 80 G HN 0.722 nan 8.290 nan 0.000 0.536 81 S N 0.012 115.693 115.700 -0.031 0.000 2.510 81 S HA 0.090 4.557 4.470 -0.005 0.000 0.230 81 S C 1.757 176.547 174.600 0.316 0.000 1.066 81 S CA 0.409 58.906 58.200 0.494 0.000 0.941 81 S CB -0.096 63.519 63.200 0.691 0.000 0.829 81 S HN 0.175 nan 8.310 nan 0.000 0.530 82 E N 2.359 122.622 120.200 0.105 0.000 2.265 82 E HA -0.118 4.229 4.350 -0.005 0.000 0.196 82 E C 1.974 178.517 176.600 -0.095 0.000 0.996 82 E CA 1.293 57.704 56.400 0.019 0.000 0.832 82 E CB -0.543 29.148 29.700 -0.016 0.000 0.756 82 E HN 0.885 nan 8.360 nan 0.000 0.491 83 M N -2.451 117.016 119.600 -0.221 0.000 2.630 83 M HA -0.005 4.473 4.480 -0.005 0.000 0.254 83 M C 0.998 176.907 176.300 -0.652 0.000 1.092 83 M CA 1.114 56.127 55.300 -0.478 0.000 1.087 83 M CB -0.196 32.020 32.600 -0.640 0.000 1.453 83 M HN -0.031 nan 8.290 nan 0.000 0.509 84 W N 0.435 121.632 121.300 -0.172 0.000 3.013 84 W HA 0.319 4.976 4.660 -0.005 0.000 0.280 84 W C 0.436 176.842 176.519 -0.189 0.000 1.249 84 W CA -0.767 56.449 57.345 -0.215 0.000 1.577 84 W CB -0.124 29.236 29.460 -0.167 0.000 1.057 84 W HN 0.079 nan 8.180 nan 0.000 0.613 85 N N 2.785 121.502 118.700 0.028 0.000 2.453 85 N HA 0.060 4.797 4.740 -0.005 0.000 0.253 85 N C -2.289 173.160 175.510 -0.101 0.000 1.252 85 N CA -1.032 52.005 53.050 -0.022 0.000 0.917 85 N CB -0.113 38.360 38.487 -0.024 0.000 1.117 85 N HN -0.245 nan 8.380 nan 0.000 0.442 86 P HA 0.011 nan 4.420 nan 0.000 0.263 86 P C 0.085 177.307 177.300 -0.131 0.000 1.195 86 P CA -0.058 62.962 63.100 -0.133 0.000 0.762 86 P CB 0.418 32.057 31.700 -0.101 0.000 0.799 87 N N 3.384 121.984 118.700 -0.165 0.000 2.392 87 N HA -0.004 4.733 4.740 -0.005 0.000 0.177 87 N C 0.729 176.169 175.510 -0.117 0.000 1.066 87 N CA 0.494 53.456 53.050 -0.147 0.000 0.895 87 N CB -0.031 38.349 38.487 -0.179 0.000 0.988 87 N HN 0.168 nan 8.380 nan 0.000 0.457 88 R N 0.888 121.314 120.500 -0.123 0.000 2.523 88 R HA 0.339 4.676 4.340 -0.005 0.000 0.223 88 R C -0.179 176.077 176.300 -0.073 0.000 1.280 88 R CA -0.470 55.576 56.100 -0.091 0.000 1.047 88 R CB -0.006 30.234 30.300 -0.101 0.000 1.650 88 R HN 0.235 nan 8.270 nan 0.000 0.545 89 E N 0.903 121.065 120.200 -0.062 0.000 2.283 89 E HA 0.207 4.554 4.350 -0.005 0.000 0.278 89 E C -0.205 176.362 176.600 -0.056 0.000 1.027 89 E CA -0.150 56.218 56.400 -0.053 0.000 0.843 89 E CB 1.182 30.854 29.700 -0.047 0.000 1.062 89 E HN 0.187 nan 8.360 nan 0.000 0.401 90 M N 1.847 121.416 119.600 -0.053 0.000 2.241 90 M HA 0.242 4.719 4.480 -0.005 0.000 0.335 90 M C 0.041 176.300 176.300 -0.067 0.000 1.122 90 M CA 0.423 55.686 55.300 -0.062 0.000 1.164 90 M CB 1.181 33.747 32.600 -0.057 0.000 1.459 90 M HN 0.393 nan 8.290 nan 0.000 0.461 91 S N -0.056 115.591 115.700 -0.088 0.000 2.614 91 S HA 0.139 4.607 4.470 -0.005 0.000 0.280 91 S C 0.002 174.530 174.600 -0.121 0.000 1.111 91 S CA -0.722 57.424 58.200 -0.090 0.000 0.847 91 S CB 1.082 64.258 63.200 -0.041 0.000 1.079 91 S HN 0.836 nan 8.310 nan 0.000 0.452 92 E N 0.951 121.063 120.200 -0.147 0.000 2.268 92 E HA -0.106 4.241 4.350 -0.005 0.000 0.195 92 E C -0.177 176.376 176.600 -0.077 0.000 0.995 92 E CA 0.695 56.997 56.400 -0.164 0.000 0.836 92 E CB 0.019 29.633 29.700 -0.143 0.000 0.763 92 E HN 0.495 nan 8.360 nan 0.000 0.491 93 D N 0.432 120.820 120.400 -0.020 0.000 2.563 93 D HA 0.015 4.652 4.640 -0.005 0.000 0.222 93 D C 0.294 176.703 176.300 0.182 0.000 1.145 93 D CA -0.340 53.688 54.000 0.047 0.000 1.001 93 D CB -0.142 40.709 40.800 0.084 0.000 1.049 93 D HN 0.155 nan 8.370 nan 0.000 0.515 94 c N 1.458 120.124 118.600 0.111 0.000 3.724 94 c HA 0.396 4.963 4.570 -0.005 0.000 0.327 94 c C 0.869 175.075 174.090 0.194 0.000 1.490 94 c CA -0.646 55.819 56.329 0.227 0.000 1.825 94 c CB -1.251 41.314 42.510 0.092 0.000 2.613 94 c HN 0.373 nan 8.230 nan 0.000 0.692 95 L N 2.608 123.712 121.223 -0.199 0.000 2.617 95 L HA 0.292 4.629 4.340 -0.005 0.000 0.282 95 L C -0.624 175.656 176.870 -0.984 0.000 1.174 95 L CA 0.764 55.279 54.840 -0.541 0.000 1.016 95 L CB -0.795 40.795 42.059 -0.781 0.000 1.337 95 L HN 0.398 nan 8.230 nan 0.000 0.460 96 Y N 2.862 123.061 120.300 -0.167 0.000 2.705 96 Y HA 0.734 5.281 4.550 -0.004 0.000 0.332 96 Y C -0.224 175.818 175.900 0.236 0.000 1.157 96 Y CA -1.192 56.876 58.100 -0.053 0.000 1.091 96 Y CB 1.777 40.221 38.460 -0.026 0.000 1.301 96 Y HN 0.236 nan 8.280 nan 0.000 0.488 97 L N -0.416 120.978 121.223 0.286 0.000 2.540 97 L HA 0.725 5.063 4.340 -0.005 0.000 0.256 97 L C -1.767 175.150 176.870 0.078 0.000 1.001 97 L CA -1.186 53.763 54.840 0.180 0.000 0.843 97 L CB 1.907 43.978 42.059 0.021 0.000 1.436 97 L HN 0.495 nan 8.230 nan 0.000 0.410 98 N N 1.767 120.521 118.700 0.089 0.000 2.272 98 N HA 0.797 5.535 4.740 -0.005 0.000 0.305 98 N C -1.283 174.120 175.510 -0.178 0.000 1.103 98 N CA -0.281 52.709 53.050 -0.100 0.000 0.791 98 N CB 2.768 41.205 38.487 -0.084 0.000 1.356 98 N HN 0.727 nan 8.380 nan 0.000 0.486 99 I N 0.285 120.633 120.570 -0.368 0.000 2.534 99 I HA 0.348 4.515 4.170 -0.005 0.000 0.288 99 I C -0.939 175.042 176.117 -0.227 0.000 1.077 99 I CA -0.664 60.545 61.300 -0.151 0.000 1.051 99 I CB 2.295 40.222 38.000 -0.121 0.000 1.234 99 I HN 0.237 nan 8.210 nan 0.000 0.425 100 W N 6.044 127.442 121.300 0.163 0.000 2.361 100 W HA 0.532 5.188 4.660 -0.005 0.000 0.314 100 W C -0.978 175.636 176.519 0.159 0.000 1.041 100 W CA -0.670 56.754 57.345 0.130 0.000 1.241 100 W CB 2.097 31.606 29.460 0.082 0.000 1.279 100 W HN 0.083 nan 8.180 nan 0.000 0.436 101 V N 5.409 125.518 119.914 0.325 0.000 2.384 101 V HA 0.228 4.345 4.120 -0.005 0.000 0.287 101 V C -2.001 174.223 176.094 0.216 0.000 1.020 101 V CA -2.361 60.117 62.300 0.298 0.000 0.850 101 V CB 1.605 33.676 31.823 0.415 0.000 0.987 101 V HN 0.231 nan 8.190 nan 0.000 0.436 102 P HA 0.035 nan 4.420 nan 0.000 0.263 102 P C -0.223 177.128 177.300 0.086 0.000 1.195 102 P CA 0.519 63.688 63.100 0.116 0.000 0.762 102 P CB 0.498 32.244 31.700 0.078 0.000 0.799 103 S N 4.299 120.012 115.700 0.022 0.000 2.499 103 S HA 0.466 4.933 4.470 -0.005 0.000 0.279 103 S C -1.976 172.640 174.600 0.026 0.000 1.219 103 S CA -1.505 56.696 58.200 0.000 0.000 1.062 103 S CB -0.236 62.865 63.200 -0.165 0.000 0.978 103 S HN 0.265 nan 8.310 nan 0.000 0.489 104 P HA 0.193 nan 4.420 nan 0.000 0.274 104 P C -0.493 176.859 177.300 0.087 0.000 1.237 104 P CA -0.647 62.503 63.100 0.083 0.000 0.793 104 P CB 0.447 32.193 31.700 0.076 0.000 0.977 105 R N 2.180 122.746 120.500 0.110 0.000 2.537 105 R HA 0.078 4.416 4.340 -0.005 0.000 0.281 105 R C -1.973 174.380 176.300 0.089 0.000 0.988 105 R CA -0.668 55.507 56.100 0.124 0.000 1.077 105 R CB -0.488 29.897 30.300 0.141 0.000 0.932 105 R HN 0.368 nan 8.270 nan 0.000 0.409 106 P HA 0.136 nan 4.420 nan 0.000 0.276 106 P C -0.188 177.138 177.300 0.044 0.000 1.252 106 P CA -0.582 62.551 63.100 0.056 0.000 0.802 106 P CB 0.838 32.570 31.700 0.054 0.000 1.035 107 K N -0.241 120.173 120.400 0.024 0.000 2.067 107 K HA 0.088 4.405 4.320 -0.005 0.000 0.203 107 K C 0.491 177.087 176.600 -0.007 0.000 1.048 107 K CA 1.259 57.551 56.287 0.008 0.000 0.954 107 K CB -0.279 32.222 32.500 0.001 0.000 0.737 107 K HN 0.350 nan 8.250 nan 0.000 0.444 108 S N 0.685 116.380 115.700 -0.008 0.000 2.387 108 S HA 0.150 4.617 4.470 -0.005 0.000 0.211 108 S C -0.982 173.610 174.600 -0.014 0.000 1.055 108 S CA -0.420 57.767 58.200 -0.023 0.000 1.133 108 S CB 0.651 63.826 63.200 -0.041 0.000 1.235 108 S HN 0.168 nan 8.310 nan 0.000 0.425 109 T N 2.239 116.793 114.554 0.000 0.000 2.949 109 T HA 0.624 4.971 4.350 -0.005 0.000 0.287 109 T C 0.088 174.786 174.700 -0.003 0.000 1.034 109 T CA -0.109 61.992 62.100 0.002 0.000 1.018 109 T CB 1.274 70.153 68.868 0.019 0.000 1.135 109 T HN 0.478 nan 8.240 nan 0.000 0.532 110 T N 2.159 116.706 114.554 -0.012 0.000 2.930 110 T HA 0.374 4.721 4.350 -0.005 0.000 0.306 110 T C -0.349 174.350 174.700 -0.002 0.000 1.045 110 T CA -0.272 61.815 62.100 -0.022 0.000 1.134 110 T CB 0.423 69.265 68.868 -0.043 0.000 0.961 110 T HN 0.411 nan 8.240 nan 0.000 0.545 111 V N 5.016 124.931 119.914 0.001 0.000 2.417 111 V HA 0.448 4.565 4.120 -0.005 0.000 0.291 111 V C -0.016 176.084 176.094 0.010 0.000 1.024 111 V CA -0.663 61.654 62.300 0.029 0.000 0.861 111 V CB 1.485 33.337 31.823 0.048 0.000 0.985 111 V HN 0.834 nan 8.190 nan 0.000 0.436 112 M N 4.907 124.515 119.600 0.013 0.000 2.181 112 M HA 0.530 5.007 4.480 -0.005 0.000 0.323 112 M C -1.214 175.180 176.300 0.157 0.000 1.004 112 M CA -0.641 54.621 55.300 -0.062 0.000 0.941 112 M CB 2.112 34.521 32.600 -0.318 0.000 1.579 112 M HN 0.369 nan 8.290 nan 0.000 0.427 113 V N 3.642 123.704 119.914 0.247 0.000 2.347 113 V HA 0.332 4.449 4.120 -0.005 0.000 0.280 113 V C -0.671 175.804 176.094 0.635 0.000 1.021 113 V CA -0.656 61.866 62.300 0.370 0.000 0.847 113 V CB 1.418 33.355 31.823 0.189 0.000 0.990 113 V HN 0.839 nan 8.190 nan 0.000 0.444 114 W N 7.084 128.667 121.300 0.471 0.000 2.351 114 W HA 0.635 5.292 4.660 -0.005 0.000 0.311 114 W C -1.345 175.208 176.519 0.057 0.000 1.168 114 W CA -0.838 56.636 57.345 0.215 0.000 1.200 114 W CB 1.259 30.829 29.460 0.183 0.000 1.221 114 W HN 0.432 nan 8.180 nan 0.000 0.519 115 I N 9.311 129.447 120.570 -0.723 0.000 2.382 115 I HA 0.059 4.226 4.170 -0.005 0.000 0.285 115 I C -0.213 175.315 176.117 -0.981 0.000 1.007 115 I CA -1.117 59.807 61.300 -0.627 0.000 1.142 115 I CB 0.682 38.454 38.000 -0.380 0.000 1.289 115 I HN 0.288 nan 8.210 nan 0.000 0.453 116 Y N 4.803 124.776 120.300 -0.546 0.000 2.426 116 Y HA 0.671 5.218 4.550 -0.004 0.000 0.344 116 Y C 0.589 176.401 175.900 -0.147 0.000 1.256 116 Y CA -1.134 56.740 58.100 -0.376 0.000 1.451 116 Y CB -0.086 38.427 38.460 0.089 0.000 1.342 116 Y HN 0.496 nan 8.280 nan 0.000 0.600 117 G N -0.974 107.918 108.800 0.153 0.000 2.601 117 G HA2 0.531 4.488 3.960 -0.005 0.000 0.317 117 G HA3 0.531 4.488 3.960 -0.005 0.000 0.317 117 G C 0.049 174.929 174.900 -0.033 0.000 1.246 117 G CA -0.927 44.178 45.100 0.008 0.000 1.012 117 G HN 1.616 nan 8.290 nan 0.000 0.494 118 G N -2.363 106.277 108.800 -0.267 0.000 3.442 118 G HA2 0.451 4.408 3.960 -0.005 0.000 0.224 118 G HA3 0.451 4.408 3.960 -0.005 0.000 0.224 118 G C 0.897 175.294 174.900 -0.839 0.000 0.988 118 G CA 0.804 45.617 45.100 -0.478 0.000 1.133 118 G HN 2.222 nan 8.290 nan 0.000 0.659 119 G N -0.236 108.064 108.800 -0.833 0.000 2.212 119 G HA2 -0.171 3.786 3.960 -0.005 0.000 0.267 119 G HA3 -0.171 3.786 3.960 -0.005 0.000 0.267 119 G C 0.935 175.520 174.900 -0.525 0.000 1.002 119 G CA 0.723 45.069 45.100 -1.258 0.000 0.729 119 G HN 1.606 nan 8.290 nan 0.000 0.517 120 F N -3.531 116.275 119.950 -0.239 0.000 2.748 120 F HA -0.311 4.213 4.527 -0.005 0.000 0.370 120 F C 1.518 177.350 175.800 0.052 0.000 0.620 120 F CA 2.063 60.002 58.000 -0.102 0.000 1.233 120 F CB -2.046 36.733 39.000 -0.369 0.000 1.708 120 F HN 0.871 nan 8.300 nan 0.000 0.298 121 Y N -1.025 119.360 120.300 0.140 0.000 2.445 121 Y HA 0.650 5.197 4.550 -0.005 0.000 0.247 121 Y C 0.792 176.824 175.900 0.220 0.000 1.129 121 Y CA 0.296 58.514 58.100 0.197 0.000 1.251 121 Y CB -0.116 38.405 38.460 0.102 0.000 1.176 121 Y HN 0.079 nan 8.280 nan 0.000 0.522 122 S N -0.488 114.954 115.700 -0.429 0.000 2.794 122 S HA 0.943 5.410 4.470 -0.005 0.000 0.299 122 S C -0.177 174.263 174.600 -0.268 0.000 1.179 122 S CA -0.514 57.515 58.200 -0.286 0.000 0.838 122 S CB 1.644 64.596 63.200 -0.414 0.000 1.206 122 S HN 1.178 nan 8.310 nan 0.000 0.523 123 G N -0.387 108.192 108.800 -0.368 0.000 2.351 123 G HA2 0.446 4.403 3.960 -0.005 0.000 0.472 123 G HA3 0.446 4.403 3.960 -0.005 0.000 0.472 123 G C -1.254 172.931 174.900 -1.191 0.000 1.570 123 G CA -0.375 44.202 45.100 -0.872 0.000 0.921 123 G HN 1.449 nan 8.290 nan 0.000 0.674 124 S N -0.095 114.831 115.700 -1.290 0.000 2.616 124 S HA 0.483 4.951 4.470 -0.005 0.000 0.276 124 S C 0.800 175.340 174.600 -0.100 0.000 1.159 124 S CA 0.002 57.853 58.200 -0.582 0.000 1.000 124 S CB 1.398 64.404 63.200 -0.324 0.000 1.117 124 S HN 1.935 nan 8.310 nan 0.000 0.464 125 S N 0.493 116.385 115.700 0.320 0.000 2.547 125 S HA -0.097 4.370 4.470 -0.005 0.000 0.235 125 S C 1.458 176.230 174.600 0.286 0.000 0.980 125 S CA 1.064 59.619 58.200 0.592 0.000 0.941 125 S CB -0.738 62.825 63.200 0.604 0.000 0.763 125 S HN 0.890 nan 8.310 nan 0.000 0.532 126 T N 0.106 114.608 114.554 -0.087 0.000 3.235 126 T HA 0.424 4.771 4.350 -0.005 0.000 0.251 126 T C 0.402 174.800 174.700 -0.502 0.000 1.060 126 T CA -0.578 61.153 62.100 -0.614 0.000 0.949 126 T CB -0.600 67.766 68.868 -0.836 0.000 1.020 126 T HN 0.304 nan 8.240 nan 0.000 0.564 127 L N 1.065 122.061 121.223 -0.378 0.000 2.453 127 L HA 0.348 4.686 4.340 -0.005 0.000 0.261 127 L C 0.962 177.570 176.870 -0.437 0.000 1.179 127 L CA -0.533 53.977 54.840 -0.549 0.000 0.813 127 L CB 0.418 41.872 42.059 -1.008 0.000 1.110 127 L HN 0.114 nan 8.230 nan 0.000 0.466 128 D N -0.217 119.929 120.400 -0.423 0.000 2.312 128 D HA -0.102 4.535 4.640 -0.005 0.000 0.211 128 D C 1.654 177.742 176.300 -0.352 0.000 0.964 128 D CA 0.612 54.440 54.000 -0.286 0.000 0.877 128 D CB 0.123 40.776 40.800 -0.245 0.000 0.924 128 D HN 0.443 nan 8.370 nan 0.000 0.515 129 V N -1.821 117.749 119.914 -0.574 0.000 3.608 129 V HA 0.031 4.148 4.120 -0.005 0.000 0.269 129 V C 0.452 176.138 176.094 -0.679 0.000 1.245 129 V CA 0.483 62.440 62.300 -0.571 0.000 1.138 129 V CB -0.706 30.704 31.823 -0.690 0.000 0.841 129 V HN 0.092 nan 8.190 nan 0.000 0.451 130 Y N 0.534 120.321 120.300 -0.855 0.000 2.636 130 Y HA 0.461 5.009 4.550 -0.004 0.000 0.260 130 Y C 0.850 176.386 175.900 -0.607 0.000 1.177 130 Y CA -1.736 55.624 58.100 -1.233 0.000 1.209 130 Y CB -0.647 37.435 38.460 -0.630 0.000 1.166 130 Y HN 0.287 nan 8.280 nan 0.000 0.531 131 N N 1.226 119.787 118.700 -0.231 0.000 2.401 131 N HA 0.078 4.815 4.740 -0.005 0.000 0.255 131 N C 1.138 176.508 175.510 -0.233 0.000 1.110 131 N CA 0.361 53.312 53.050 -0.165 0.000 0.949 131 N CB 1.361 39.839 38.487 -0.015 0.000 1.110 131 N HN 0.415 nan 8.380 nan 0.000 0.490 132 G N 3.157 111.391 108.800 -0.943 0.000 3.141 132 G HA2 -0.106 3.852 3.960 -0.005 0.000 0.218 132 G HA3 -0.106 3.852 3.960 -0.005 0.000 0.218 132 G C 1.336 175.693 174.900 -0.906 0.000 1.170 132 G CA -0.049 44.585 45.100 -0.777 0.000 0.769 132 G HN 0.736 nan 8.290 nan 0.000 0.546 133 K N -0.436 119.265 120.400 -1.165 0.000 2.148 133 K HA -0.108 4.209 4.320 -0.005 0.000 0.204 133 K C 1.561 177.924 176.600 -0.395 0.000 1.050 133 K CA 0.911 56.771 56.287 -0.713 0.000 0.942 133 K CB -0.426 31.708 32.500 -0.611 0.000 0.724 133 K HN 0.320 nan 8.250 nan 0.000 0.446 134 Y N 1.154 121.363 120.300 -0.151 0.000 2.184 134 Y HA -0.106 4.441 4.550 -0.005 0.000 0.290 134 Y C 2.326 178.218 175.900 -0.013 0.000 1.129 134 Y CA 0.654 58.732 58.100 -0.038 0.000 1.144 134 Y CB -0.498 37.910 38.460 -0.087 0.000 0.995 134 Y HN 0.038 nan 8.280 nan 0.000 0.513 135 L N 0.303 121.551 121.223 0.042 0.000 2.044 135 L HA 0.017 4.354 4.340 -0.005 0.000 0.205 135 L C 2.301 179.162 176.870 -0.015 0.000 1.075 135 L CA 1.922 56.737 54.840 -0.041 0.000 0.747 135 L CB -1.232 40.711 42.059 -0.192 0.000 0.903 135 L HN 0.116 nan 8.230 nan 0.000 0.435 136 A N -1.319 121.503 122.820 0.003 0.000 1.902 136 A HA -0.272 4.046 4.320 -0.005 0.000 0.217 136 A C 2.305 179.939 177.584 0.083 0.000 1.181 136 A CA 1.828 53.907 52.037 0.071 0.000 0.623 136 A CB -1.137 17.966 19.000 0.172 0.000 0.818 136 A HN 0.664 nan 8.150 nan 0.000 0.443 137 Y N 0.791 121.080 120.300 -0.017 0.000 2.220 137 Y HA -0.100 4.447 4.550 -0.004 0.000 0.291 137 Y C 2.538 178.435 175.900 -0.005 0.000 1.129 137 Y CA 2.161 60.249 58.100 -0.019 0.000 1.161 137 Y CB -0.681 37.746 38.460 -0.054 0.000 0.997 137 Y HN 0.252 nan 8.280 nan 0.000 0.522 138 T N 0.648 115.107 114.554 -0.159 0.000 2.674 138 T HA -0.129 4.218 4.350 -0.005 0.000 0.265 138 T C 1.355 175.949 174.700 -0.178 0.000 1.039 138 T CA 1.775 63.742 62.100 -0.221 0.000 1.150 138 T CB -0.140 68.721 68.868 -0.011 0.000 0.864 138 T HN 0.343 nan 8.240 nan 0.000 0.427 139 E N 0.698 120.848 120.200 -0.083 0.000 2.479 139 E HA 0.090 4.437 4.350 -0.005 0.000 0.193 139 E C 0.001 176.571 176.600 -0.051 0.000 1.049 139 E CA 0.060 56.438 56.400 -0.038 0.000 0.870 139 E CB 0.005 29.705 29.700 0.000 0.000 0.944 139 E HN 0.592 nan 8.360 nan 0.000 0.492 140 E N 0.050 120.200 120.200 -0.082 0.000 2.230 140 E HA -0.168 4.179 4.350 -0.005 0.000 0.206 140 E C -0.527 176.071 176.600 -0.003 0.000 1.309 140 E CA 0.434 56.803 56.400 -0.051 0.000 0.697 140 E CB -1.588 28.070 29.700 -0.070 0.000 1.146 140 E HN 0.122 nan 8.360 nan 0.000 0.363 141 V N -3.264 116.661 119.914 0.019 0.000 2.876 141 V HA 0.652 4.769 4.120 -0.005 0.000 0.312 141 V C 0.448 176.591 176.094 0.083 0.000 1.085 141 V CA -1.248 61.072 62.300 0.033 0.000 0.945 141 V CB 2.205 34.030 31.823 0.004 0.000 1.017 141 V HN -0.014 nan 8.190 nan 0.000 0.428 142 V N 4.301 124.273 119.914 0.097 0.000 2.521 142 V HA 0.315 4.432 4.120 -0.005 0.000 0.286 142 V C -0.028 176.164 176.094 0.162 0.000 1.034 142 V CA 0.085 62.475 62.300 0.150 0.000 1.045 142 V CB 1.026 32.933 31.823 0.139 0.000 0.974 142 V HN 0.797 nan 8.190 nan 0.000 0.480 143 L N 7.661 129.037 121.223 0.254 0.000 2.343 143 L HA 0.660 4.997 4.340 -0.005 0.000 0.278 143 L C -0.443 176.691 176.870 0.440 0.000 0.996 143 L CA 0.056 55.083 54.840 0.312 0.000 0.831 143 L CB 1.681 43.916 42.059 0.294 0.000 1.232 143 L HN 0.402 nan 8.230 nan 0.000 0.413 144 V N 3.366 123.502 119.914 0.369 0.000 2.581 144 V HA 0.791 4.908 4.120 -0.005 0.000 0.303 144 V C -0.118 176.261 176.094 0.477 0.000 1.041 144 V CA -0.391 62.119 62.300 0.349 0.000 0.907 144 V CB 1.846 33.791 31.823 0.204 0.000 0.994 144 V HN 0.890 nan 8.190 nan 0.000 0.442 145 S N 4.217 120.212 115.700 0.491 0.000 2.707 145 S HA 0.738 5.205 4.470 -0.005 0.000 0.303 145 S C -0.804 174.036 174.600 0.400 0.000 1.132 145 S CA -0.796 57.746 58.200 0.571 0.000 1.046 145 S CB 1.243 64.879 63.200 0.728 0.000 1.004 145 S HN 0.757 nan 8.310 nan 0.000 0.483 146 L N 1.275 122.663 121.223 0.276 0.000 2.567 146 L HA 0.936 5.273 4.340 -0.005 0.000 0.238 146 L C 0.050 177.064 176.870 0.240 0.000 1.168 146 L CA -0.368 54.578 54.840 0.178 0.000 0.817 146 L CB -0.038 42.008 42.059 -0.021 0.000 1.409 146 L HN 0.593 nan 8.230 nan 0.000 0.502 147 S N -1.493 114.399 115.700 0.319 0.000 2.599 147 S HA 0.835 5.302 4.470 -0.005 0.000 0.287 147 S C -1.533 173.305 174.600 0.397 0.000 1.105 147 S CA -0.361 58.042 58.200 0.338 0.000 0.899 147 S CB 1.598 65.051 63.200 0.421 0.000 1.100 147 S HN 0.873 nan 8.310 nan 0.000 0.482 148 Y N -1.313 119.091 120.300 0.175 0.000 2.521 148 Y HA 0.576 5.123 4.550 -0.004 0.000 0.326 148 Y C -1.008 175.029 175.900 0.230 0.000 1.176 148 Y CA -1.304 56.898 58.100 0.170 0.000 1.079 148 Y CB 0.538 39.046 38.460 0.080 0.000 1.341 148 Y HN 0.516 nan 8.280 nan 0.000 0.456 149 R N 2.362 123.016 120.500 0.257 0.000 2.585 149 R HA 0.457 4.794 4.340 -0.005 0.000 0.275 149 R C -0.129 176.379 176.300 0.348 0.000 1.018 149 R CA 0.127 56.345 56.100 0.197 0.000 1.072 149 R CB 0.684 31.060 30.300 0.127 0.000 0.953 149 R HN 0.671 nan 8.270 nan 0.000 0.419 150 V N 0.048 120.180 119.914 0.364 0.000 3.019 150 V HA 0.878 4.995 4.120 -0.005 0.000 0.317 150 V C 0.822 177.268 176.094 0.587 0.000 1.094 150 V CA -0.091 62.539 62.300 0.550 0.000 1.000 150 V CB 1.280 33.296 31.823 0.322 0.000 1.060 150 V HN 0.993 nan 8.190 nan 0.000 0.443 151 G N 1.459 110.640 108.800 0.636 0.000 2.564 151 G HA2 -0.016 3.942 3.960 -0.005 0.000 0.273 151 G HA3 -0.016 3.942 3.960 -0.005 0.000 0.273 151 G C 1.015 176.106 174.900 0.318 0.000 1.242 151 G CA 0.990 46.408 45.100 0.530 0.000 0.951 151 G HN 2.159 nan 8.290 nan 0.000 0.564 152 A N -1.280 121.467 122.820 -0.122 0.000 1.933 152 A HA 0.253 4.570 4.320 -0.005 0.000 0.218 152 A C 2.265 179.783 177.584 -0.110 0.000 1.175 152 A CA 2.526 54.148 52.037 -0.692 0.000 0.628 152 A CB -0.506 17.986 19.000 -0.845 0.000 0.814 152 A HN 0.940 nan 8.150 nan 0.000 0.444 153 F N 0.042 120.089 119.950 0.161 0.000 2.161 153 F HA -0.056 4.468 4.527 -0.005 0.000 0.300 153 F C 2.404 178.259 175.800 0.091 0.000 1.089 153 F CA 1.369 59.437 58.000 0.113 0.000 1.282 153 F CB -0.479 38.539 39.000 0.029 0.000 1.010 153 F HN 0.309 nan 8.300 nan 0.000 0.485 154 G N -2.900 106.043 108.800 0.238 0.000 3.062 154 G HA2 0.118 4.075 3.960 -0.005 0.000 0.228 154 G HA3 0.118 4.075 3.960 -0.005 0.000 0.228 154 G C 0.649 175.239 174.900 -0.516 0.000 1.094 154 G CA 0.022 45.055 45.100 -0.112 0.000 0.782 154 G HN 0.326 nan 8.290 nan 0.000 0.541 155 F N -0.410 119.586 119.950 0.075 0.000 2.899 155 F HA 0.421 4.945 4.527 -0.005 0.000 0.337 155 F C 0.292 176.046 175.800 -0.077 0.000 1.129 155 F CA -0.861 57.151 58.000 0.021 0.000 1.128 155 F CB 0.658 39.714 39.000 0.094 0.000 1.154 155 F HN -0.078 nan 8.300 nan 0.000 0.531 156 L N 2.285 123.393 121.223 -0.191 0.000 2.513 156 L HA 0.471 4.808 4.340 -0.005 0.000 0.272 156 L C 0.190 176.955 176.870 -0.175 0.000 1.187 156 L CA 0.110 54.695 54.840 -0.424 0.000 0.895 156 L CB 0.295 41.801 42.059 -0.921 0.000 1.147 156 L HN 0.155 nan 8.230 nan 0.000 0.483 157 A N 7.154 129.952 122.820 -0.036 0.000 2.646 157 A HA 0.542 4.859 4.320 -0.005 0.000 0.312 157 A C -0.857 176.737 177.584 0.017 0.000 1.245 157 A CA -0.478 51.565 52.037 0.010 0.000 0.755 157 A CB 0.115 19.167 19.000 0.086 0.000 1.132 157 A HN 0.667 nan 8.150 nan 0.000 0.458 158 L N 3.345 124.554 121.223 -0.024 0.000 2.314 158 L HA 0.254 4.591 4.340 -0.005 0.000 0.275 158 L C 0.344 177.239 176.870 0.042 0.000 1.068 158 L CA -0.786 54.054 54.840 -0.000 0.000 0.894 158 L CB 0.163 42.190 42.059 -0.054 0.000 1.275 158 L HN 0.811 nan 8.230 nan 0.000 0.432 159 H N 2.471 121.537 119.070 -0.007 0.000 3.094 159 H HA 0.259 4.812 4.556 -0.005 0.000 0.320 159 H C 1.069 176.398 175.328 0.001 0.000 1.000 159 H CA 1.579 57.631 56.048 0.005 0.000 1.413 159 H CB 0.754 30.526 29.762 0.015 0.000 1.405 159 H HN 0.738 nan 8.280 nan 0.000 0.586 160 G N 2.781 111.334 108.800 -0.413 0.000 2.493 160 G HA2 -0.282 3.675 3.960 -0.005 0.000 0.206 160 G HA3 -0.282 3.675 3.960 -0.005 0.000 0.206 160 G C 0.348 175.156 174.900 -0.152 0.000 1.109 160 G CA 0.071 45.009 45.100 -0.269 0.000 0.689 160 G HN 1.093 nan 8.290 nan 0.000 0.516 161 S N 0.956 116.596 115.700 -0.101 0.000 2.576 161 S HA 0.574 5.041 4.470 -0.005 0.000 0.276 161 S C 0.866 175.425 174.600 -0.069 0.000 1.339 161 S CA 0.450 58.605 58.200 -0.074 0.000 1.039 161 S CB 1.871 65.030 63.200 -0.069 0.000 0.902 161 S HN 0.310 nan 8.310 nan 0.000 0.516 162 Q N 0.967 120.736 119.800 -0.052 0.000 2.408 162 Q HA 0.091 4.428 4.340 -0.005 0.000 0.205 162 Q C 1.048 177.037 176.000 -0.018 0.000 0.919 162 Q CA 0.769 56.551 55.803 -0.034 0.000 0.932 162 Q CB 0.097 28.821 28.738 -0.025 0.000 1.058 162 Q HN 0.896 nan 8.270 nan 0.000 0.517 163 E N -0.415 119.770 120.200 -0.026 0.000 2.472 163 E HA 0.196 4.543 4.350 -0.005 0.000 0.196 163 E C 0.126 176.744 176.600 0.030 0.000 1.033 163 E CA 0.195 56.592 56.400 -0.004 0.000 0.886 163 E CB 0.789 30.465 29.700 -0.041 0.000 0.944 163 E HN 0.076 nan 8.360 nan 0.000 0.492 164 A N 1.637 124.449 122.820 -0.014 0.000 3.474 164 A HA 0.211 4.528 4.320 -0.005 0.000 0.251 164 A C -2.187 175.370 177.584 -0.047 0.000 1.062 164 A CA -0.829 51.183 52.037 -0.041 0.000 0.945 164 A CB 0.390 19.289 19.000 -0.168 0.000 1.296 164 A HN -0.078 nan 8.150 nan 0.000 0.592 165 P HA 0.062 nan 4.420 nan 0.000 0.214 165 P C 1.196 178.518 177.300 0.037 0.000 1.162 165 P CA 2.597 65.697 63.100 0.001 0.000 0.874 165 P CB 0.544 32.250 31.700 0.009 0.000 0.784 166 G N -0.692 108.120 108.800 0.020 0.000 3.400 166 G HA2 -0.138 3.819 3.960 -0.005 0.000 0.111 166 G HA3 -0.138 3.819 3.960 -0.005 0.000 0.111 166 G C 0.332 175.226 174.900 -0.010 0.000 2.370 166 G CA -0.256 44.866 45.100 0.037 0.000 1.153 166 G HN 0.164 nan 8.290 nan 0.000 0.329 167 N N 2.167 120.843 118.700 -0.041 0.000 2.530 167 N HA 0.118 4.855 4.740 -0.005 0.000 0.216 167 N C 1.844 177.181 175.510 -0.289 0.000 1.315 167 N CA 0.550 53.478 53.050 -0.202 0.000 0.858 167 N CB 0.939 39.153 38.487 -0.455 0.000 1.138 167 N HN 0.231 nan 8.380 nan 0.000 0.473 168 V N 0.385 120.139 119.914 -0.266 0.000 2.380 168 V HA -0.226 3.891 4.120 -0.005 0.000 0.251 168 V C 2.404 178.304 176.094 -0.323 0.000 1.063 168 V CA 2.200 64.365 62.300 -0.225 0.000 1.055 168 V CB -0.778 30.949 31.823 -0.159 0.000 0.657 168 V HN 0.419 nan 8.190 nan 0.000 0.455 169 G N -0.875 107.450 108.800 -0.791 0.000 2.422 169 G HA2 -0.158 3.799 3.960 -0.005 0.000 0.218 169 G HA3 -0.158 3.799 3.960 -0.005 0.000 0.218 169 G C 1.538 176.313 174.900 -0.208 0.000 1.140 169 G CA 0.630 45.367 45.100 -0.605 0.000 0.775 169 G HN 0.491 nan 8.290 nan 0.000 0.545 170 L N -0.215 120.846 121.223 -0.269 0.000 2.209 170 L HA 0.188 4.526 4.340 -0.005 0.000 0.207 170 L C 2.692 179.616 176.870 0.091 0.000 1.094 170 L CA 0.137 54.868 54.840 -0.182 0.000 0.790 170 L CB -0.194 41.527 42.059 -0.562 0.000 0.932 170 L HN 0.153 nan 8.230 nan 0.000 0.447 171 L N -0.431 120.835 121.223 0.073 0.000 2.201 171 L HA -0.195 4.142 4.340 -0.005 0.000 0.212 171 L C 1.966 178.932 176.870 0.159 0.000 1.105 171 L CA 0.812 55.763 54.840 0.184 0.000 0.775 171 L CB -0.510 41.623 42.059 0.122 0.000 0.913 171 L HN 0.256 nan 8.230 nan 0.000 0.440 172 D N -0.258 120.228 120.400 0.144 0.000 2.144 172 D HA -0.164 4.473 4.640 -0.005 0.000 0.200 172 D C 2.320 178.747 176.300 0.213 0.000 0.978 172 D CA 1.023 55.186 54.000 0.273 0.000 0.833 172 D CB -0.049 40.931 40.800 0.299 0.000 0.961 172 D HN 0.369 nan 8.370 nan 0.000 0.470 173 Q N 0.009 119.873 119.800 0.107 0.000 2.079 173 Q HA -0.056 4.281 4.340 -0.005 0.000 0.200 173 Q C 2.238 178.198 176.000 -0.067 0.000 0.974 173 Q CA 0.748 56.552 55.803 0.002 0.000 0.840 173 Q CB 0.024 28.811 28.738 0.082 0.000 0.898 173 Q HN 0.155 nan 8.270 nan 0.000 0.430 174 R N 0.638 121.171 120.500 0.056 0.000 2.096 174 R HA -0.115 4.223 4.340 -0.005 0.000 0.235 174 R C 2.208 178.483 176.300 -0.042 0.000 1.127 174 R CA 1.300 57.386 56.100 -0.023 0.000 0.968 174 R CB -0.101 30.264 30.300 0.108 0.000 0.861 174 R HN 0.261 nan 8.270 nan 0.000 0.440 175 M N -0.316 119.290 119.600 0.009 0.000 2.229 175 M HA -0.061 4.416 4.480 -0.005 0.000 0.264 175 M C 1.980 178.197 176.300 -0.138 0.000 1.063 175 M CA 1.806 57.142 55.300 0.060 0.000 1.114 175 M CB 0.050 32.813 32.600 0.271 0.000 1.387 175 M HN 0.245 nan 8.290 nan 0.000 0.420 176 A N 0.486 122.939 122.820 -0.611 0.000 1.930 176 A HA -0.072 4.245 4.320 -0.005 0.000 0.217 176 A C 1.974 179.395 177.584 -0.271 0.000 1.175 176 A CA 1.291 52.755 52.037 -0.956 0.000 0.627 176 A CB -0.881 17.402 19.000 -1.194 0.000 0.815 176 A HN 0.586 nan 8.150 nan 0.000 0.443 177 L N -1.067 120.054 121.223 -0.170 0.000 2.156 177 L HA -0.164 4.173 4.340 -0.005 0.000 0.208 177 L C 2.745 179.651 176.870 0.060 0.000 1.095 177 L CA 1.475 56.292 54.840 -0.039 0.000 0.770 177 L CB -0.371 41.632 42.059 -0.092 0.000 0.914 177 L HN 0.471 nan 8.230 nan 0.000 0.439 178 Q N -0.453 119.369 119.800 0.038 0.000 2.230 178 Q HA -0.228 4.109 4.340 -0.005 0.000 0.202 178 Q C 1.967 178.073 176.000 0.176 0.000 0.963 178 Q CA 1.521 57.357 55.803 0.056 0.000 0.866 178 Q CB -0.303 28.443 28.738 0.013 0.000 0.931 178 Q HN 0.503 nan 8.270 nan 0.000 0.452 179 W N -1.021 120.288 121.300 0.015 0.000 2.443 179 W HA -0.042 4.616 4.660 -0.004 0.000 0.296 179 W C 1.591 178.154 176.519 0.073 0.000 1.202 179 W CA 1.172 58.556 57.345 0.064 0.000 1.312 179 W CB 0.126 29.623 29.460 0.062 0.000 1.120 179 W HN -0.047 nan 8.180 nan 0.000 0.536 180 V N 0.539 120.713 119.914 0.433 0.000 2.759 180 V HA -0.320 3.797 4.120 -0.005 0.000 0.256 180 V C 2.377 178.562 176.094 0.151 0.000 1.080 180 V CA 2.165 64.647 62.300 0.304 0.000 1.101 180 V CB -1.193 30.758 31.823 0.213 0.000 0.698 180 V HN 0.375 nan 8.190 nan 0.000 0.477 181 H N 0.385 119.476 119.070 0.035 0.000 2.343 181 H HA -0.100 4.453 4.556 -0.005 0.000 0.303 181 H C 1.921 177.203 175.328 -0.077 0.000 1.068 181 H CA 1.837 57.874 56.048 -0.019 0.000 1.359 181 H CB 0.191 29.946 29.762 -0.011 0.000 1.402 181 H HN 0.411 nan 8.280 nan 0.000 0.515 182 D N 0.397 120.841 120.400 0.073 0.000 2.085 182 D HA -0.102 4.535 4.640 -0.005 0.000 0.199 182 D C 1.746 177.945 176.300 -0.167 0.000 0.981 182 D CA 0.875 54.850 54.000 -0.042 0.000 0.834 182 D CB -0.296 40.483 40.800 -0.035 0.000 0.992 182 D HN 0.509 nan 8.370 nan 0.000 0.457 183 N N 0.270 118.799 118.700 -0.286 0.000 2.424 183 N HA -0.019 4.718 4.740 -0.005 0.000 0.178 183 N C 1.625 177.098 175.510 -0.061 0.000 1.060 183 N CA -0.082 52.821 53.050 -0.245 0.000 0.901 183 N CB 0.550 38.464 38.487 -0.955 0.000 0.979 183 N HN 0.019 nan 8.380 nan 0.000 0.451 184 I N 2.791 123.328 120.570 -0.054 0.000 2.850 184 I HA -0.225 3.943 4.170 -0.005 0.000 0.266 184 I C 2.506 178.633 176.117 0.016 0.000 1.257 184 I CA 1.044 62.403 61.300 0.099 0.000 1.465 184 I CB -0.277 37.766 38.000 0.071 0.000 1.091 184 I HN 0.200 nan 8.210 nan 0.000 0.467 185 Q N -1.308 118.311 119.800 -0.302 0.000 2.245 185 Q HA -0.134 4.203 4.340 -0.005 0.000 0.201 185 Q C 1.628 177.386 176.000 -0.403 0.000 0.955 185 Q CA 1.197 56.751 55.803 -0.416 0.000 0.870 185 Q CB -0.640 27.721 28.738 -0.629 0.000 0.945 185 Q HN 0.381 nan 8.270 nan 0.000 0.461 186 F N -0.325 119.587 119.950 -0.063 0.000 2.748 186 F HA 0.143 4.667 4.527 -0.005 0.000 0.299 186 F C 0.771 176.348 175.800 -0.372 0.000 1.154 186 F CA 0.221 58.074 58.000 -0.244 0.000 1.446 186 F CB -0.020 38.744 39.000 -0.394 0.000 1.112 186 F HN -0.001 nan 8.300 nan 0.000 0.584 187 F N -0.878 119.088 119.950 0.026 0.000 2.706 187 F HA 0.431 4.955 4.527 -0.005 0.000 0.308 187 F C 1.732 177.565 175.800 0.054 0.000 1.095 187 F CA 0.339 58.355 58.000 0.028 0.000 1.244 187 F CB 0.334 39.340 39.000 0.010 0.000 1.063 187 F HN -0.032 nan 8.300 nan 0.000 0.582 188 G N 0.421 109.315 108.800 0.156 0.000 2.138 188 G HA2 -0.073 3.884 3.960 -0.005 0.000 0.193 188 G HA3 -0.073 3.884 3.960 -0.005 0.000 0.193 188 G C 0.354 175.298 174.900 0.073 0.000 0.998 188 G CA -0.374 44.783 45.100 0.096 0.000 0.668 188 G HN 0.679 nan 8.290 nan 0.000 0.516 189 G N -0.526 108.315 108.800 0.069 0.000 2.400 189 G HA2 0.523 4.480 3.960 -0.005 0.000 0.333 189 G HA3 0.523 4.480 3.960 -0.005 0.000 0.333 189 G C -1.023 173.859 174.900 -0.030 0.000 1.143 189 G CA -0.132 44.989 45.100 0.036 0.000 0.914 189 G HN 0.158 nan 8.290 nan 0.000 0.480 190 D N 2.016 122.395 120.400 -0.035 0.000 2.365 190 D HA 0.243 4.880 4.640 -0.005 0.000 0.237 190 D C -0.919 175.335 176.300 -0.076 0.000 1.190 190 D CA -2.341 51.619 54.000 -0.067 0.000 0.867 190 D CB 1.817 42.585 40.800 -0.054 0.000 1.050 190 D HN 0.061 nan 8.370 nan 0.000 0.491 191 P HA -0.143 nan 4.420 nan 0.000 0.223 191 P C 0.641 177.872 177.300 -0.116 0.000 1.144 191 P CA 0.915 63.924 63.100 -0.151 0.000 0.783 191 P CB 0.455 31.975 31.700 -0.300 0.000 0.771 192 K N -0.899 119.439 120.400 -0.103 0.000 2.243 192 K HA 0.064 4.382 4.320 -0.005 0.000 0.201 192 K C 0.712 177.284 176.600 -0.047 0.000 1.051 192 K CA 0.851 57.093 56.287 -0.074 0.000 0.970 192 K CB -0.045 32.407 32.500 -0.079 0.000 0.755 192 K HN 0.018 nan 8.250 nan 0.000 0.465 193 T N 1.660 116.188 114.554 -0.045 0.000 3.278 193 T HA 0.226 4.573 4.350 -0.005 0.000 0.246 193 T C -0.641 174.046 174.700 -0.021 0.000 1.281 193 T CA -0.264 61.810 62.100 -0.042 0.000 1.281 193 T CB 0.351 69.185 68.868 -0.056 0.000 1.064 193 T HN -0.217 nan 8.240 nan 0.000 0.628 194 V N 2.780 122.704 119.914 0.017 0.000 2.427 194 V HA 0.673 4.790 4.120 -0.005 0.000 0.286 194 V C 0.482 176.630 176.094 0.091 0.000 1.034 194 V CA -0.680 61.652 62.300 0.054 0.000 0.893 194 V CB 1.634 33.511 31.823 0.091 0.000 0.982 194 V HN 0.652 nan 8.190 nan 0.000 0.452 195 T N 4.464 119.050 114.554 0.053 0.000 2.841 195 T HA 0.653 5.000 4.350 -0.005 0.000 0.285 195 T C -0.517 174.213 174.700 0.051 0.000 0.991 195 T CA -0.630 61.510 62.100 0.065 0.000 0.966 195 T CB 1.049 69.919 68.868 0.004 0.000 0.962 195 T HN 0.626 nan 8.240 nan 0.000 0.438 196 I N 2.394 122.981 120.570 0.028 0.000 2.581 196 I HA 0.847 5.015 4.170 -0.005 0.000 0.288 196 I C -0.951 175.294 176.117 0.214 0.000 1.047 196 I CA -0.946 60.383 61.300 0.049 0.000 1.374 196 I CB 0.791 38.652 38.000 -0.233 0.000 1.423 196 I HN 0.678 nan 8.210 nan 0.000 0.549 197 F N 2.874 122.830 119.950 0.009 0.000 2.615 197 F HA 0.940 5.464 4.527 -0.005 0.000 0.312 197 F C -0.642 175.107 175.800 -0.085 0.000 1.119 197 F CA -1.511 56.518 58.000 0.048 0.000 0.979 197 F CB 1.133 40.255 39.000 0.204 0.000 1.266 197 F HN 0.849 nan 8.300 nan 0.000 0.444 198 G N 1.803 110.401 108.800 -0.337 0.000 2.677 198 G HA2 0.501 4.458 3.960 -0.005 0.000 0.291 198 G HA3 0.501 4.458 3.960 -0.005 0.000 0.291 198 G C -2.373 172.214 174.900 -0.521 0.000 1.435 198 G CA -0.771 43.779 45.100 -0.916 0.000 0.826 198 G HN 0.806 nan 8.290 nan 0.000 0.491 199 E N 0.154 120.002 120.200 -0.588 0.000 2.221 199 E HA 0.608 4.955 4.350 -0.005 0.000 0.268 199 E C 0.913 177.409 176.600 -0.173 0.000 0.933 199 E CA 0.361 56.648 56.400 -0.188 0.000 0.809 199 E CB 2.052 31.768 29.700 0.028 0.000 1.190 199 E HN 0.782 nan 8.360 nan 0.000 0.406 200 S N 2.731 118.369 115.700 -0.102 0.000 4.157 200 S HA -0.406 4.062 4.470 -0.005 0.000 0.539 200 S C 1.435 176.070 174.600 0.059 0.000 1.854 200 S CA 2.508 60.707 58.200 -0.002 0.000 4.235 200 S CB -1.602 61.576 63.200 -0.037 0.000 0.383 200 S HN 0.838 nan 8.310 nan 0.000 0.457 201 A N 1.239 123.968 122.820 -0.153 0.000 2.067 201 A HA 0.397 4.714 4.320 -0.005 0.000 0.217 201 A C 2.434 179.817 177.584 -0.334 0.000 1.156 201 A CA 1.757 53.553 52.037 -0.402 0.000 0.683 201 A CB -1.301 17.076 19.000 -1.038 0.000 0.808 201 A HN 1.462 nan 8.150 nan 0.000 0.455 202 G N -0.256 108.394 108.800 -0.250 0.000 2.408 202 G HA2 0.073 4.030 3.960 -0.005 0.000 0.217 202 G HA3 0.073 4.030 3.960 -0.005 0.000 0.217 202 G C 1.465 176.209 174.900 -0.260 0.000 1.150 202 G CA 1.107 46.031 45.100 -0.294 0.000 0.776 202 G HN 0.610 nan 8.290 nan 0.000 0.542 203 G N 1.008 109.677 108.800 -0.217 0.000 2.408 203 G HA2 0.094 4.051 3.960 -0.005 0.000 0.217 203 G HA3 0.094 4.051 3.960 -0.005 0.000 0.217 203 G C 2.002 176.789 174.900 -0.189 0.000 1.150 203 G CA 1.399 46.393 45.100 -0.177 0.000 0.776 203 G HN 0.595 nan 8.290 nan 0.000 0.542 204 A N 0.792 123.527 122.820 -0.142 0.000 1.930 204 A HA 0.052 4.369 4.320 -0.005 0.000 0.217 204 A C 2.685 180.215 177.584 -0.090 0.000 1.175 204 A CA 2.149 54.091 52.037 -0.159 0.000 0.627 204 A CB -0.484 18.442 19.000 -0.123 0.000 0.815 204 A HN 0.297 nan 8.150 nan 0.000 0.443 205 S N -0.374 115.290 115.700 -0.059 0.000 2.368 205 S HA -0.116 4.351 4.470 -0.005 0.000 0.224 205 S C 1.881 176.381 174.600 -0.168 0.000 1.029 205 S CA 1.350 59.477 58.200 -0.121 0.000 0.988 205 S CB -0.445 62.654 63.200 -0.168 0.000 0.838 205 S HN 0.343 nan 8.310 nan 0.000 0.462 206 V N 1.739 121.574 119.914 -0.131 0.000 2.332 206 V HA -0.164 3.954 4.120 -0.005 0.000 0.248 206 V C 2.584 178.631 176.094 -0.079 0.000 1.055 206 V CA 1.990 64.223 62.300 -0.112 0.000 1.038 206 V CB -1.418 30.322 31.823 -0.138 0.000 0.651 206 V HN 0.599 nan 8.190 nan 0.000 0.450 207 G N -0.857 107.855 108.800 -0.147 0.000 2.422 207 G HA2 -0.202 3.755 3.960 -0.005 0.000 0.218 207 G HA3 -0.202 3.755 3.960 -0.005 0.000 0.218 207 G C 1.519 176.449 174.900 0.050 0.000 1.140 207 G CA 0.665 45.675 45.100 -0.149 0.000 0.775 207 G HN 0.483 nan 8.290 nan 0.000 0.545 208 M N -0.115 119.518 119.600 0.056 0.000 2.562 208 M HA 0.150 4.627 4.480 -0.005 0.000 0.257 208 M C 1.873 178.316 176.300 0.238 0.000 1.099 208 M CA 0.538 55.990 55.300 0.253 0.000 1.099 208 M CB 0.081 32.846 32.600 0.275 0.000 1.427 208 M HN 0.113 nan 8.290 nan 0.000 0.489 209 H N -0.324 118.868 119.070 0.204 0.000 2.520 209 H HA 0.219 4.772 4.556 -0.005 0.000 0.279 209 H C 1.952 177.501 175.328 0.369 0.000 0.990 209 H CA 0.936 57.109 56.048 0.210 0.000 1.288 209 H CB 0.264 30.035 29.762 0.014 0.000 1.446 209 H HN 0.354 nan 8.280 nan 0.000 0.538 210 I N 0.588 121.438 120.570 0.468 0.000 2.928 210 I HA -0.147 4.021 4.170 -0.005 0.000 0.266 210 I C 1.656 178.022 176.117 0.416 0.000 1.234 210 I CA 0.673 62.277 61.300 0.506 0.000 1.483 210 I CB 0.153 38.387 38.000 0.390 0.000 1.097 210 I HN 0.119 nan 8.210 nan 0.000 0.455 211 L N -1.169 120.269 121.223 0.358 0.000 2.357 211 L HA 0.106 4.443 4.340 -0.005 0.000 0.211 211 L C 1.378 178.381 176.870 0.223 0.000 1.075 211 L CA 0.106 55.150 54.840 0.339 0.000 0.830 211 L CB -0.143 42.146 42.059 0.383 0.000 0.996 211 L HN 0.004 nan 8.230 nan 0.000 0.467 212 S N 0.298 116.075 115.700 0.128 0.000 2.528 212 S HA 0.164 4.631 4.470 -0.005 0.000 0.277 212 S C -1.559 172.969 174.600 -0.119 0.000 1.297 212 S CA -1.353 56.765 58.200 -0.137 0.000 1.052 212 S CB 1.194 64.047 63.200 -0.578 0.000 0.917 212 S HN -0.109 nan 8.310 nan 0.000 0.492 213 P HA -0.005 nan 4.420 nan 0.000 0.215 213 P C 1.359 178.568 177.300 -0.152 0.000 1.157 213 P CA 1.048 64.078 63.100 -0.117 0.000 0.868 213 P CB -0.123 31.513 31.700 -0.106 0.000 0.788 214 G N -1.411 107.252 108.800 -0.227 0.000 2.776 214 G HA2 -0.095 3.862 3.960 -0.005 0.000 0.209 214 G HA3 -0.095 3.862 3.960 -0.005 0.000 0.209 214 G C 1.093 175.881 174.900 -0.186 0.000 1.145 214 G CA 0.463 45.434 45.100 -0.214 0.000 0.791 214 G HN 0.228 nan 8.290 nan 0.000 0.530 215 S N -0.922 114.692 115.700 -0.143 0.000 2.632 215 S HA 0.151 4.619 4.470 -0.005 0.000 0.237 215 S C 1.946 176.561 174.600 0.025 0.000 1.037 215 S CA -0.517 57.672 58.200 -0.017 0.000 1.009 215 S CB 0.483 63.765 63.200 0.136 0.000 0.974 215 S HN 0.294 nan 8.310 nan 0.000 0.544 216 R N 2.015 122.458 120.500 -0.095 0.000 2.148 216 R HA 0.043 4.380 4.340 -0.005 0.000 0.227 216 R C 0.373 176.404 176.300 -0.448 0.000 1.103 216 R CA 1.140 57.070 56.100 -0.285 0.000 0.983 216 R CB -0.044 30.171 30.300 -0.142 0.000 0.874 216 R HN 0.214 nan 8.270 nan 0.000 0.451 217 D N -0.154 120.082 120.400 -0.275 0.000 2.395 217 D HA 0.074 4.711 4.640 -0.005 0.000 0.226 217 D C 0.556 176.754 176.300 -0.170 0.000 1.146 217 D CA 0.339 54.204 54.000 -0.224 0.000 0.830 217 D CB 0.542 41.253 40.800 -0.148 0.000 0.958 217 D HN 0.235 nan 8.370 nan 0.000 0.501 218 L N -0.255 120.866 121.223 -0.170 0.000 2.766 218 L HA 0.230 4.568 4.340 -0.005 0.000 0.242 218 L C -0.251 176.743 176.870 0.205 0.000 1.136 218 L CA -0.131 54.726 54.840 0.027 0.000 0.933 218 L CB 0.117 42.183 42.059 0.010 0.000 1.241 218 L HN -0.083 nan 8.230 nan 0.000 0.522 219 F N -3.982 115.979 119.950 0.017 0.000 2.641 219 F HA 0.574 5.098 4.527 -0.004 0.000 0.308 219 F C 0.406 176.219 175.800 0.022 0.000 1.105 219 F CA -1.249 56.763 58.000 0.019 0.000 0.964 219 F CB 1.299 40.305 39.000 0.011 0.000 1.294 219 F HN -0.336 nan 8.300 nan 0.000 0.442 220 R N 1.238 121.810 120.500 0.120 0.000 2.064 220 R HA 0.421 4.758 4.340 -0.005 0.000 0.221 220 R C 0.371 176.732 176.300 0.101 0.000 1.136 220 R CA 1.181 57.299 56.100 0.029 0.000 0.980 220 R CB 0.233 30.532 30.300 -0.002 0.000 0.876 220 R HN 0.837 nan 8.270 nan 0.000 0.437 221 R N -1.641 118.960 120.500 0.169 0.000 3.084 221 R HA 0.776 5.113 4.340 -0.005 0.000 0.234 221 R C -1.357 175.119 176.300 0.295 0.000 1.433 221 R CA -0.695 55.505 56.100 0.167 0.000 1.053 221 R CB 1.951 32.185 30.300 -0.110 0.000 1.449 221 R HN 0.236 nan 8.270 nan 0.000 0.505 222 A N 0.395 123.384 122.820 0.282 0.000 2.601 222 A HA 0.678 4.995 4.320 -0.005 0.000 0.291 222 A C -1.641 176.078 177.584 0.224 0.000 1.075 222 A CA -0.594 51.567 52.037 0.207 0.000 0.671 222 A CB 1.351 20.431 19.000 0.133 0.000 1.277 222 A HN 0.518 nan 8.150 nan 0.000 0.417 223 I N 0.474 121.110 120.570 0.111 0.000 2.607 223 I HA 0.401 4.568 4.170 -0.005 0.000 0.290 223 I C -1.677 174.466 176.117 0.043 0.000 1.129 223 I CA -0.496 60.814 61.300 0.016 0.000 1.042 223 I CB 2.094 40.092 38.000 -0.003 0.000 1.242 223 I HN 0.417 nan 8.210 nan 0.000 0.421 224 L N 6.229 127.455 121.223 0.004 0.000 2.342 224 L HA 0.452 4.789 4.340 -0.005 0.000 0.276 224 L C -0.487 176.427 176.870 0.075 0.000 0.997 224 L CA -0.248 54.579 54.840 -0.022 0.000 0.838 224 L CB 1.470 43.437 42.059 -0.154 0.000 1.224 224 L HN 0.489 nan 8.230 nan 0.000 0.416 225 Q N 1.686 121.569 119.800 0.138 0.000 2.314 225 Q HA 0.453 4.790 4.340 -0.005 0.000 0.259 225 Q C 0.245 176.304 176.000 0.099 0.000 0.951 225 Q CA -0.532 55.428 55.803 0.262 0.000 0.909 225 Q CB 1.365 30.338 28.738 0.392 0.000 1.236 225 Q HN 0.643 nan 8.270 nan 0.000 0.444 226 S N 0.956 116.692 115.700 0.060 0.000 3.486 226 S HA -0.199 4.268 4.470 -0.005 0.000 0.371 226 S C 0.121 174.762 174.600 0.068 0.000 1.001 226 S CA 0.533 58.749 58.200 0.027 0.000 1.164 226 S CB -1.265 61.922 63.200 -0.021 0.000 0.911 226 S HN 0.944 nan 8.310 nan 0.000 0.472 227 G N -0.908 107.903 108.800 0.019 0.000 2.623 227 G HA2 0.712 4.669 3.960 -0.005 0.000 0.290 227 G HA3 0.712 4.669 3.960 -0.005 0.000 0.290 227 G C -1.239 173.565 174.900 -0.159 0.000 1.437 227 G CA 0.143 45.273 45.100 0.049 0.000 0.798 227 G HN 0.825 nan 8.290 nan 0.000 0.488 228 S N -0.339 115.205 115.700 -0.259 0.000 2.558 228 S HA 0.648 5.115 4.470 -0.005 0.000 0.277 228 S C -2.144 172.163 174.600 -0.489 0.000 1.143 228 S CA -0.516 57.386 58.200 -0.497 0.000 0.865 228 S CB 2.276 65.203 63.200 -0.455 0.000 1.102 228 S HN 0.331 nan 8.310 nan 0.000 0.454 229 P HA -0.107 nan 4.420 nan 0.000 0.218 229 P C 0.768 177.866 177.300 -0.336 0.000 1.148 229 P CA 1.236 64.145 63.100 -0.318 0.000 0.822 229 P CB -0.333 31.265 31.700 -0.171 0.000 0.784 230 N N -0.801 117.724 118.700 -0.291 0.000 2.383 230 N HA -0.020 4.717 4.740 -0.005 0.000 0.192 230 N C 0.003 175.278 175.510 -0.393 0.000 1.141 230 N CA -0.144 52.755 53.050 -0.251 0.000 0.851 230 N CB -0.920 37.541 38.487 -0.044 0.000 0.976 230 N HN 0.021 nan 8.380 nan 0.000 0.465 231 C N 2.324 121.262 119.300 -0.604 0.000 2.634 231 C HA 0.071 4.528 4.460 -0.005 0.000 0.417 231 C C -0.499 173.941 174.990 -0.917 0.000 1.334 231 C CA -0.790 57.703 59.018 -0.874 0.000 1.829 231 C CB 0.726 27.590 27.740 -1.461 0.000 2.665 231 C HN 0.318 nan 8.230 nan 0.000 0.614 232 P HA -0.111 nan 4.420 nan 0.000 0.218 232 P C 1.306 178.363 177.300 -0.405 0.000 1.146 232 P CA 1.554 64.335 63.100 -0.531 0.000 0.813 232 P CB -0.059 31.332 31.700 -0.515 0.000 0.778 233 W N -2.106 119.041 121.300 -0.254 0.000 3.114 233 W HA 0.528 5.186 4.660 -0.004 0.000 0.279 233 W C 1.279 177.860 176.519 0.103 0.000 1.277 233 W CA 0.433 57.741 57.345 -0.061 0.000 1.630 233 W CB -1.151 28.329 29.460 0.033 0.000 1.087 233 W HN -0.125 nan 8.180 nan 0.000 0.637 234 A N 1.545 124.003 122.820 -0.602 0.000 2.016 234 A HA 0.062 4.380 4.320 -0.005 0.000 0.217 234 A C 1.244 178.721 177.584 -0.178 0.000 1.162 234 A CA 1.426 53.268 52.037 -0.325 0.000 0.662 234 A CB -0.631 17.926 19.000 -0.738 0.000 0.812 234 A HN 0.219 nan 8.150 nan 0.000 0.450 235 S N -1.730 113.811 115.700 -0.265 0.000 2.618 235 S HA 0.703 5.170 4.470 -0.005 0.000 0.277 235 S C -0.746 173.732 174.600 -0.204 0.000 1.138 235 S CA -0.075 57.963 58.200 -0.271 0.000 0.844 235 S CB 1.568 64.529 63.200 -0.397 0.000 1.127 235 S HN 1.330 nan 8.310 nan 0.000 0.474 236 V N -1.246 118.562 119.914 -0.177 0.000 3.049 236 V HA 0.873 4.990 4.120 -0.005 0.000 0.309 236 V C 0.120 176.144 176.094 -0.117 0.000 1.148 236 V CA -0.592 61.631 62.300 -0.127 0.000 0.990 236 V CB 1.119 32.893 31.823 -0.081 0.000 1.039 236 V HN 1.368 nan 8.190 nan 0.000 0.430 237 S N 1.369 117.010 115.700 -0.098 0.000 2.598 237 S HA 0.228 4.695 4.470 -0.005 0.000 0.256 237 S C 1.327 175.882 174.600 -0.074 0.000 1.350 237 S CA 0.118 58.264 58.200 -0.091 0.000 0.984 237 S CB 1.041 64.197 63.200 -0.073 0.000 0.930 237 S HN 2.230 nan 8.310 nan 0.000 0.577 238 V N -2.663 117.190 119.914 -0.102 0.000 3.380 238 V HA 0.271 4.388 4.120 -0.005 0.000 0.268 238 V C 1.814 177.886 176.094 -0.037 0.000 1.168 238 V CA 1.078 63.318 62.300 -0.101 0.000 1.156 238 V CB -1.489 30.136 31.823 -0.330 0.000 0.785 238 V HN 0.950 nan 8.190 nan 0.000 0.487 239 A N 0.481 123.279 122.820 -0.036 0.000 1.901 239 A HA 0.110 4.427 4.320 -0.005 0.000 0.210 239 A C 2.122 179.706 177.584 0.000 0.000 1.208 239 A CA 1.045 53.076 52.037 -0.010 0.000 0.644 239 A CB -0.354 18.638 19.000 -0.014 0.000 0.863 239 A HN 0.521 nan 8.150 nan 0.000 0.454 240 E N 0.641 120.836 120.200 -0.009 0.000 2.051 240 E HA -0.074 4.273 4.350 -0.005 0.000 0.192 240 E C 1.933 178.534 176.600 0.001 0.000 0.991 240 E CA 1.760 58.157 56.400 -0.004 0.000 0.799 240 E CB -0.839 28.849 29.700 -0.020 0.000 0.748 240 E HN 0.377 nan 8.360 nan 0.000 0.449 241 G N 0.437 109.242 108.800 0.009 0.000 2.432 241 G HA2 -0.320 3.637 3.960 -0.005 0.000 0.219 241 G HA3 -0.320 3.637 3.960 -0.005 0.000 0.219 241 G C 1.750 176.688 174.900 0.065 0.000 1.135 241 G CA 0.815 45.943 45.100 0.047 0.000 0.767 241 G HN 0.328 nan 8.290 nan 0.000 0.550 242 R N 0.290 120.815 120.500 0.042 0.000 2.092 242 R HA 0.048 4.385 4.340 -0.005 0.000 0.231 242 R C 2.648 178.967 176.300 0.031 0.000 1.119 242 R CA 0.912 57.034 56.100 0.037 0.000 0.970 242 R CB -0.259 30.063 30.300 0.036 0.000 0.864 242 R HN 0.272 nan 8.270 nan 0.000 0.440 243 R N 0.136 120.650 120.500 0.024 0.000 2.083 243 R HA -0.088 4.249 4.340 -0.005 0.000 0.237 243 R C 2.444 178.755 176.300 0.019 0.000 1.137 243 R CA 2.001 58.112 56.100 0.018 0.000 0.951 243 R CB -0.278 30.031 30.300 0.014 0.000 0.851 243 R HN 0.272 nan 8.270 nan 0.000 0.434 244 R N 0.241 120.749 120.500 0.013 0.000 2.152 244 R HA -0.043 4.294 4.340 -0.005 0.000 0.232 244 R C 2.243 178.622 176.300 0.132 0.000 1.117 244 R CA 1.133 57.227 56.100 -0.011 0.000 0.981 244 R CB -0.276 29.935 30.300 -0.149 0.000 0.870 244 R HN 0.226 nan 8.270 nan 0.000 0.451 245 A N 0.912 123.822 122.820 0.150 0.000 1.872 245 A HA -0.072 4.245 4.320 -0.005 0.000 0.214 245 A C 2.365 179.974 177.584 0.042 0.000 1.187 245 A CA 1.107 53.209 52.037 0.109 0.000 0.614 245 A CB -0.442 18.558 19.000 -0.001 0.000 0.826 245 A HN 0.087 nan 8.150 nan 0.000 0.442 246 V N 0.338 120.268 119.914 0.027 0.000 2.407 246 V HA -0.238 3.880 4.120 -0.005 0.000 0.248 246 V C 2.583 178.694 176.094 0.027 0.000 1.055 246 V CA 2.389 64.699 62.300 0.017 0.000 1.049 246 V CB -0.800 31.031 31.823 0.014 0.000 0.662 246 V HN 0.704 nan 8.190 nan 0.000 0.455 247 E N 0.613 120.834 120.200 0.034 0.000 2.077 247 E HA -0.228 4.119 4.350 -0.005 0.000 0.193 247 E C 1.935 178.565 176.600 0.050 0.000 0.989 247 E CA 1.325 57.743 56.400 0.031 0.000 0.800 247 E CB -0.494 29.214 29.700 0.013 0.000 0.746 247 E HN 0.442 nan 8.360 nan 0.000 0.452 248 L N -0.189 121.085 121.223 0.086 0.000 2.131 248 L HA 0.021 4.358 4.340 -0.005 0.000 0.210 248 L C 2.056 178.964 176.870 0.064 0.000 1.092 248 L CA 2.192 57.100 54.840 0.113 0.000 0.759 248 L CB -0.845 41.340 42.059 0.210 0.000 0.903 248 L HN 0.255 nan 8.230 nan 0.000 0.435 249 G N -0.086 108.738 108.800 0.040 0.000 2.424 249 G HA2 -0.268 3.689 3.960 -0.005 0.000 0.214 249 G HA3 -0.268 3.689 3.960 -0.005 0.000 0.214 249 G C 1.560 176.481 174.900 0.035 0.000 1.202 249 G CA 0.649 45.767 45.100 0.030 0.000 0.793 249 G HN 0.568 nan 8.290 nan 0.000 0.534 250 R N 0.137 120.656 120.500 0.032 0.000 2.241 250 R HA 0.093 4.430 4.340 -0.005 0.000 0.224 250 R C 1.828 178.149 176.300 0.035 0.000 1.101 250 R CA 1.299 57.417 56.100 0.030 0.000 0.995 250 R CB -0.480 29.835 30.300 0.025 0.000 0.870 250 R HN 0.206 nan 8.270 nan 0.000 0.463 251 N N 0.425 119.150 118.700 0.042 0.000 2.515 251 N HA 0.030 4.767 4.740 -0.005 0.000 0.185 251 N C 0.689 176.231 175.510 0.053 0.000 1.109 251 N CA 0.711 53.791 53.050 0.049 0.000 0.903 251 N CB 0.314 38.836 38.487 0.057 0.000 0.969 251 N HN 0.348 nan 8.380 nan 0.000 0.450 252 L N -0.117 121.137 121.223 0.051 0.000 3.135 252 L HA 0.224 4.561 4.340 -0.005 0.000 0.279 252 L C -0.394 176.504 176.870 0.047 0.000 1.200 252 L CA -0.074 54.798 54.840 0.053 0.000 1.016 252 L CB 0.262 42.357 42.059 0.059 0.000 1.391 252 L HN -0.026 nan 8.230 nan 0.000 0.588 253 N N 0.200 118.924 118.700 0.041 0.000 2.726 253 N HA -0.159 4.579 4.740 -0.005 0.000 0.253 253 N C -0.408 175.124 175.510 0.037 0.000 1.059 253 N CA 0.486 53.558 53.050 0.036 0.000 0.701 253 N CB -1.616 36.891 38.487 0.034 0.000 0.899 253 N HN 0.236 nan 8.380 nan 0.000 0.548 254 c N 0.701 119.323 118.600 0.037 0.000 2.349 254 c HA 0.350 4.917 4.570 -0.005 0.000 0.361 254 c C 1.196 175.307 174.090 0.034 0.000 1.189 254 c CA -0.888 55.464 56.329 0.040 0.000 2.155 254 c CB 1.491 44.026 42.510 0.041 0.000 2.336 254 c HN 0.449 nan 8.230 nan 0.000 0.540 255 N N 1.659 120.381 118.700 0.038 0.000 2.401 255 N HA 0.168 4.905 4.740 -0.005 0.000 0.255 255 N C 0.149 175.677 175.510 0.030 0.000 1.110 255 N CA 0.072 53.142 53.050 0.033 0.000 0.949 255 N CB 0.458 38.968 38.487 0.038 0.000 1.110 255 N HN 0.614 nan 8.380 nan 0.000 0.490 256 L N 3.076 124.313 121.223 0.023 0.000 2.611 256 L HA 0.137 4.474 4.340 -0.005 0.000 0.229 256 L C 1.564 178.444 176.870 0.017 0.000 1.137 256 L CA -0.066 54.785 54.840 0.018 0.000 0.901 256 L CB -0.347 41.722 42.059 0.015 0.000 1.098 256 L HN 0.517 nan 8.230 nan 0.000 0.456 257 N N -0.324 118.388 118.700 0.020 0.000 2.091 257 N HA -0.171 4.566 4.740 -0.005 0.000 0.193 257 N C 0.911 176.431 175.510 0.017 0.000 1.021 257 N CA 1.426 54.487 53.050 0.019 0.000 0.862 257 N CB 0.047 38.547 38.487 0.022 0.000 1.018 257 N HN 0.196 nan 8.380 nan 0.000 0.429 258 S N -1.897 113.814 115.700 0.019 0.000 2.625 258 S HA 0.168 4.636 4.470 -0.005 0.000 0.271 258 S C -0.548 174.055 174.600 0.005 0.000 1.161 258 S CA -0.877 57.331 58.200 0.013 0.000 0.820 258 S CB 1.299 64.509 63.200 0.017 0.000 1.137 258 S HN -0.037 nan 8.310 nan 0.000 0.470 259 D N 1.401 121.796 120.400 -0.008 0.000 2.092 259 D HA -0.100 4.538 4.640 -0.005 0.000 0.193 259 D C 1.563 177.837 176.300 -0.044 0.000 0.994 259 D CA 1.364 55.345 54.000 -0.031 0.000 0.828 259 D CB -0.051 40.725 40.800 -0.040 0.000 0.963 259 D HN 0.510 nan 8.370 nan 0.000 0.450 260 E N 0.891 121.072 120.200 -0.031 0.000 2.097 260 E HA -0.178 4.169 4.350 -0.005 0.000 0.196 260 E C 2.050 178.682 176.600 0.053 0.000 1.000 260 E CA 0.831 57.205 56.400 -0.043 0.000 0.804 260 E CB -0.269 29.454 29.700 0.038 0.000 0.740 260 E HN 0.527 nan 8.360 nan 0.000 0.454 261 E N 0.084 120.334 120.200 0.084 0.000 2.152 261 E HA -0.137 4.210 4.350 -0.005 0.000 0.192 261 E C 2.041 178.690 176.600 0.082 0.000 0.983 261 E CA 0.403 56.868 56.400 0.108 0.000 0.818 261 E CB -0.039 29.704 29.700 0.071 0.000 0.758 261 E HN 0.063 nan 8.360 nan 0.000 0.467 262 L N 0.951 122.195 121.223 0.035 0.000 2.007 262 L HA -0.079 4.258 4.340 -0.005 0.000 0.205 262 L C 2.001 178.879 176.870 0.014 0.000 1.073 262 L CA 1.532 56.381 54.840 0.015 0.000 0.744 262 L CB -0.426 41.623 42.059 -0.018 0.000 0.898 262 L HN 0.045 nan 8.230 nan 0.000 0.435 263 I N -0.436 120.114 120.570 -0.033 0.000 2.208 263 I HA -0.318 3.849 4.170 -0.005 0.000 0.245 263 I C 2.533 178.697 176.117 0.079 0.000 1.097 263 I CA 1.240 62.520 61.300 -0.033 0.000 1.363 263 I CB -0.875 37.057 38.000 -0.113 0.000 1.051 263 I HN 0.394 nan 8.210 nan 0.000 0.413 264 H N -0.040 119.077 119.070 0.078 0.000 2.387 264 H HA -0.190 4.363 4.556 -0.005 0.000 0.299 264 H C 2.479 177.852 175.328 0.076 0.000 1.090 264 H CA 1.731 57.824 56.048 0.075 0.000 1.332 264 H CB -0.457 29.334 29.762 0.048 0.000 1.386 264 H HN 0.489 nan 8.280 nan 0.000 0.516 265 c N 0.725 119.444 118.600 0.197 0.000 2.436 265 c HA -0.088 4.479 4.570 -0.005 0.000 0.277 265 c C 2.892 177.060 174.090 0.130 0.000 1.241 265 c CA 0.510 56.917 56.329 0.130 0.000 1.721 265 c CB -1.330 41.236 42.510 0.093 0.000 2.043 265 c HN 0.447 nan 8.230 nan 0.000 0.472 266 L N 0.405 121.720 121.223 0.153 0.000 2.191 266 L HA -0.105 4.232 4.340 -0.005 0.000 0.212 266 L C 2.968 179.969 176.870 0.218 0.000 1.103 266 L CA 1.314 56.272 54.840 0.198 0.000 0.769 266 L CB -0.658 41.541 42.059 0.234 0.000 0.908 266 L HN 0.408 nan 8.230 nan 0.000 0.438 267 R N -0.012 120.613 120.500 0.209 0.000 2.153 267 R HA -0.087 4.250 4.340 -0.005 0.000 0.218 267 R C 1.869 178.208 176.300 0.064 0.000 1.072 267 R CA 0.797 56.944 56.100 0.078 0.000 0.990 267 R CB -0.080 30.283 30.300 0.104 0.000 0.889 267 R HN 0.497 nan 8.270 nan 0.000 0.452 268 E N 0.589 120.842 120.200 0.089 0.000 2.274 268 E HA -0.043 4.304 4.350 -0.005 0.000 0.194 268 E C 0.059 176.697 176.600 0.062 0.000 0.996 268 E CA 0.584 57.023 56.400 0.067 0.000 0.840 268 E CB 0.219 29.958 29.700 0.064 0.000 0.772 268 E HN 0.028 nan 8.360 nan 0.000 0.491 269 K N 2.044 122.487 120.400 0.073 0.000 2.326 269 K HA 0.159 4.476 4.320 -0.005 0.000 0.275 269 K C 0.099 176.752 176.600 0.088 0.000 1.018 269 K CA 0.039 56.373 56.287 0.077 0.000 0.962 269 K CB 0.705 33.256 32.500 0.084 0.000 0.953 269 K HN -0.051 nan 8.250 nan 0.000 0.475 270 K N 3.110 123.565 120.400 0.091 0.000 2.380 270 K HA -0.015 4.302 4.320 -0.005 0.000 0.267 270 K C -1.304 175.395 176.600 0.165 0.000 0.990 270 K CA -1.205 55.145 56.287 0.104 0.000 0.946 270 K CB 0.341 32.894 32.500 0.088 0.000 0.937 270 K HN 0.296 nan 8.250 nan 0.000 0.491 271 P HA -0.155 nan 4.420 nan 0.000 0.222 271 P C 0.428 177.932 177.300 0.340 0.000 1.147 271 P CA 1.314 64.663 63.100 0.415 0.000 0.790 271 P CB 0.378 32.190 31.700 0.187 0.000 0.780 272 Q N 0.677 120.596 119.800 0.199 0.000 2.084 272 Q HA -0.146 4.191 4.340 -0.005 0.000 0.202 272 Q C 2.223 178.331 176.000 0.180 0.000 0.978 272 Q CA 1.584 57.490 55.803 0.172 0.000 0.844 272 Q CB -0.789 28.021 28.738 0.119 0.000 0.898 272 Q HN 0.442 nan 8.270 nan 0.000 0.426 273 E N 0.082 120.376 120.200 0.156 0.000 2.110 273 E HA -0.149 4.198 4.350 -0.005 0.000 0.193 273 E C 1.903 178.586 176.600 0.138 0.000 0.988 273 E CA 0.920 57.400 56.400 0.133 0.000 0.804 273 E CB -0.171 29.593 29.700 0.106 0.000 0.745 273 E HN 0.335 nan 8.360 nan 0.000 0.458 274 L N 0.601 121.911 121.223 0.145 0.000 2.056 274 L HA -0.142 4.195 4.340 -0.005 0.000 0.207 274 L C 2.464 179.426 176.870 0.153 0.000 1.078 274 L CA 0.959 55.854 54.840 0.092 0.000 0.749 274 L CB -0.515 41.496 42.059 -0.081 0.000 0.901 274 L HN 0.144 nan 8.230 nan 0.000 0.433 275 I N 0.078 120.794 120.570 0.244 0.000 2.493 275 I HA -0.233 3.934 4.170 -0.005 0.000 0.254 275 I C 1.791 178.072 176.117 0.273 0.000 1.160 275 I CA 1.039 62.513 61.300 0.291 0.000 1.445 275 I CB -0.411 37.811 38.000 0.369 0.000 1.086 275 I HN 0.231 nan 8.210 nan 0.000 0.433 276 D N 0.647 121.184 120.400 0.228 0.000 2.117 276 D HA -0.120 4.518 4.640 -0.005 0.000 0.198 276 D C 1.924 178.337 176.300 0.189 0.000 0.982 276 D CA 1.272 55.400 54.000 0.214 0.000 0.828 276 D CB -0.035 40.865 40.800 0.167 0.000 0.967 276 D HN 0.313 nan 8.370 nan 0.000 0.464 277 V N -1.536 118.469 119.914 0.151 0.000 3.421 277 V HA 0.207 4.324 4.120 -0.005 0.000 0.316 277 V C 1.474 177.631 176.094 0.105 0.000 1.347 277 V CA 0.111 62.485 62.300 0.124 0.000 1.183 277 V CB -0.015 31.869 31.823 0.101 0.000 1.092 277 V HN 0.029 nan 8.190 nan 0.000 0.433 278 E N 0.355 120.606 120.200 0.085 0.000 2.107 278 E HA -0.150 4.198 4.350 -0.005 0.000 0.191 278 E C 1.444 177.888 176.600 -0.260 0.000 0.982 278 E CA 1.546 57.918 56.400 -0.046 0.000 0.809 278 E CB -0.034 29.592 29.700 -0.123 0.000 0.756 278 E HN 0.838 nan 8.360 nan 0.000 0.459 279 W N 0.883 122.163 121.300 -0.034 0.000 2.937 279 W HA 0.082 4.739 4.660 -0.004 0.000 0.245 279 W C 1.942 178.416 176.519 -0.075 0.000 1.306 279 W CA -0.339 56.945 57.345 -0.102 0.000 1.470 279 W CB 0.058 29.422 29.460 -0.161 0.000 1.132 279 W HN 0.078 nan 8.180 nan 0.000 0.675 280 N N 0.256 119.021 118.700 0.107 0.000 2.396 280 N HA -0.110 4.627 4.740 -0.005 0.000 0.180 280 N C 1.573 177.087 175.510 0.008 0.000 1.028 280 N CA 0.837 53.926 53.050 0.065 0.000 0.893 280 N CB -0.065 38.457 38.487 0.058 0.000 0.967 280 N HN 0.026 nan 8.380 nan 0.000 0.440 281 V N 1.351 121.222 119.914 -0.072 0.000 2.594 281 V HA -0.123 3.994 4.120 -0.005 0.000 0.253 281 V C 1.122 177.139 176.094 -0.129 0.000 1.069 281 V CA 0.657 62.848 62.300 -0.182 0.000 1.082 281 V CB -0.315 31.214 31.823 -0.489 0.000 0.680 281 V HN 0.228 nan 8.190 nan 0.000 0.469 282 L N 1.848 123.043 121.223 -0.047 0.000 2.565 282 L HA 0.075 4.412 4.340 -0.005 0.000 0.275 282 L C -0.921 175.998 176.870 0.082 0.000 1.137 282 L CA -0.896 53.963 54.840 0.030 0.000 0.915 282 L CB 0.211 42.332 42.059 0.103 0.000 1.232 282 L HN 0.186 nan 8.230 nan 0.000 0.473 283 P HA -0.062 nan 4.420 nan 0.000 0.217 283 P C 0.582 177.989 177.300 0.177 0.000 1.151 283 P CA 1.049 64.251 63.100 0.169 0.000 0.828 283 P CB 0.245 32.095 31.700 0.251 0.000 0.788 284 F N -0.296 119.647 119.950 -0.012 0.000 2.451 284 F HA 0.375 4.899 4.527 -0.005 0.000 0.174 284 F C 0.592 176.388 175.800 -0.007 0.000 0.806 284 F CA 0.429 58.425 58.000 -0.007 0.000 0.999 284 F CB -0.736 38.263 39.000 -0.003 0.000 2.275 284 F HN -0.242 nan 8.300 nan 0.000 0.714 285 D N -0.740 119.807 120.400 0.244 0.000 2.329 285 D HA 0.282 4.919 4.640 -0.005 0.000 0.217 285 D C -1.123 175.235 176.300 0.096 0.000 1.317 285 D CA 0.060 54.126 54.000 0.111 0.000 0.928 285 D CB 0.357 41.198 40.800 0.069 0.000 1.544 285 D HN 0.489 nan 8.370 nan 0.000 0.499 286 S N 1.247 116.980 115.700 0.055 0.000 2.873 286 S HA 0.714 5.181 4.470 -0.005 0.000 0.303 286 S C -0.856 173.728 174.600 -0.027 0.000 1.222 286 S CA -0.829 57.381 58.200 0.018 0.000 0.923 286 S CB 0.994 64.203 63.200 0.015 0.000 1.286 286 S HN 0.191 nan 8.310 nan 0.000 0.571 287 I N 0.878 121.427 120.570 -0.034 0.000 2.530 287 I HA 0.558 4.725 4.170 -0.005 0.000 0.297 287 I C -0.652 175.446 176.117 -0.032 0.000 1.011 287 I CA -0.636 60.640 61.300 -0.040 0.000 1.107 287 I CB 1.373 39.365 38.000 -0.013 0.000 1.285 287 I HN 0.772 nan 8.210 nan 0.000 0.436 288 F N 3.953 123.709 119.950 -0.324 0.000 3.039 288 F HA -0.237 4.288 4.527 -0.004 0.000 0.287 288 F C -0.248 175.100 175.800 -0.754 0.000 0.956 288 F CA 0.417 58.036 58.000 -0.634 0.000 0.971 288 F CB -0.876 37.686 39.000 -0.730 0.000 0.943 288 F HN 0.511 nan 8.300 nan 0.000 0.766 289 R N 0.998 121.143 120.500 -0.592 0.000 2.538 289 R HA 0.687 5.024 4.340 -0.005 0.000 0.292 289 R C -0.906 175.027 176.300 -0.613 0.000 1.008 289 R CA -0.468 55.355 56.100 -0.462 0.000 0.896 289 R CB 0.839 31.012 30.300 -0.210 0.000 1.187 289 R HN -0.016 nan 8.270 nan 0.000 0.440 290 F N -0.140 119.917 119.950 0.177 0.000 2.544 290 F HA 0.498 5.022 4.527 -0.005 0.000 0.378 290 F C 1.565 177.314 175.800 -0.084 0.000 1.112 290 F CA -0.595 57.471 58.000 0.110 0.000 1.115 290 F CB 0.718 39.857 39.000 0.230 0.000 1.436 290 F HN 0.465 nan 8.300 nan 0.000 0.496 291 S N -0.523 115.121 115.700 -0.092 0.000 2.297 291 S HA 0.187 4.654 4.470 -0.005 0.000 0.200 291 S C -0.215 174.103 174.600 -0.471 0.000 1.011 291 S CA 0.379 58.315 58.200 -0.439 0.000 0.938 291 S CB -0.325 62.419 63.200 -0.761 0.000 0.924 291 S HN 0.257 nan 8.310 nan 0.000 0.504 292 F N 2.769 122.720 119.950 0.002 0.000 2.385 292 F HA 0.621 5.145 4.527 -0.005 0.000 0.360 292 F C 0.056 175.822 175.800 -0.057 0.000 1.122 292 F CA -0.981 57.036 58.000 0.028 0.000 1.090 292 F CB 1.272 40.332 39.000 0.100 0.000 1.150 292 F HN 0.065 nan 8.300 nan 0.000 0.472 293 V N 1.185 121.097 119.914 -0.003 0.000 3.102 293 V HA 0.732 4.849 4.120 -0.005 0.000 0.312 293 V C -2.879 173.024 176.094 -0.319 0.000 1.135 293 V CA -3.304 58.782 62.300 -0.356 0.000 1.022 293 V CB 1.912 33.693 31.823 -0.070 0.000 1.056 293 V HN 0.332 nan 8.190 nan 0.000 0.436 294 P HA 0.210 nan 4.420 nan 0.000 0.266 294 P C -0.484 176.740 177.300 -0.128 0.000 1.193 294 P CA 0.266 63.258 63.100 -0.180 0.000 0.770 294 P CB 0.413 31.950 31.700 -0.273 0.000 0.836 295 V N 0.825 120.738 119.914 -0.003 0.000 2.581 295 V HA 0.420 4.537 4.120 -0.005 0.000 0.303 295 V C 0.042 176.133 176.094 -0.005 0.000 1.041 295 V CA -0.790 61.492 62.300 -0.031 0.000 0.907 295 V CB 1.550 33.392 31.823 0.032 0.000 0.994 295 V HN 0.214 nan 8.190 nan 0.000 0.442 296 I N 3.600 124.096 120.570 -0.124 0.000 2.349 296 I HA 0.152 4.319 4.170 -0.005 0.000 0.302 296 I C 1.309 177.470 176.117 0.073 0.000 1.180 296 I CA 0.319 61.577 61.300 -0.070 0.000 1.405 296 I CB -0.630 37.260 38.000 -0.184 0.000 1.474 296 I HN 0.797 nan 8.210 nan 0.000 0.632 297 D N 5.008 125.558 120.400 0.250 0.000 2.123 297 D HA -0.128 4.510 4.640 -0.005 0.000 0.196 297 D C 1.775 178.169 176.300 0.157 0.000 0.992 297 D CA 1.813 55.932 54.000 0.199 0.000 0.833 297 D CB 0.419 41.400 40.800 0.301 0.000 0.954 297 D HN 0.820 nan 8.370 nan 0.000 0.455 298 G N 0.330 109.246 108.800 0.192 0.000 2.157 298 G HA2 -0.267 3.691 3.960 -0.005 0.000 0.239 298 G HA3 -0.267 3.691 3.960 -0.005 0.000 0.239 298 G C 0.782 175.769 174.900 0.145 0.000 0.982 298 G CA 0.712 45.896 45.100 0.141 0.000 0.650 298 G HN 0.432 nan 8.290 nan 0.000 0.527 299 E N -1.620 118.686 120.200 0.176 0.000 2.941 299 E HA 0.353 4.700 4.350 -0.005 0.000 0.180 299 E C 1.676 178.327 176.600 0.084 0.000 1.130 299 E CA -0.260 56.215 56.400 0.124 0.000 1.243 299 E CB 0.008 29.795 29.700 0.145 0.000 1.582 299 E HN 0.192 nan 8.360 nan 0.000 0.499 300 F N 0.821 120.733 119.950 -0.063 0.000 2.186 300 F HA 0.073 4.597 4.527 -0.005 0.000 0.299 300 F C 0.185 175.726 175.800 -0.433 0.000 1.090 300 F CA 0.994 58.817 58.000 -0.294 0.000 1.307 300 F CB 0.402 39.130 39.000 -0.454 0.000 1.019 300 F HN -0.131 nan 8.300 nan 0.000 0.489 301 F N 0.741 120.868 119.950 0.294 0.000 2.434 301 F HA 0.365 4.889 4.527 -0.005 0.000 0.367 301 F C -1.625 174.235 175.800 0.100 0.000 1.093 301 F CA -2.747 55.364 58.000 0.185 0.000 1.085 301 F CB 0.573 39.661 39.000 0.147 0.000 1.322 301 F HN -0.235 nan 8.300 nan 0.000 0.452 302 P HA -0.178 nan 4.420 nan 0.000 0.216 302 P C 0.619 177.987 177.300 0.114 0.000 1.167 302 P CA 2.261 65.432 63.100 0.118 0.000 0.933 302 P CB 0.087 31.833 31.700 0.077 0.000 0.793 303 T N -5.616 109.007 114.554 0.115 0.000 2.676 303 T HA 0.484 4.831 4.350 -0.005 0.000 0.269 303 T C -0.163 174.581 174.700 0.074 0.000 0.952 303 T CA -0.719 61.426 62.100 0.076 0.000 1.040 303 T CB 0.572 69.470 68.868 0.050 0.000 1.352 303 T HN 0.027 nan 8.240 nan 0.000 0.554 304 S N 0.437 116.155 115.700 0.031 0.000 2.549 304 S HA 0.211 4.678 4.470 -0.005 0.000 0.283 304 S C 1.609 176.220 174.600 0.018 0.000 1.320 304 S CA -0.844 57.354 58.200 -0.004 0.000 1.058 304 S CB -0.330 62.860 63.200 -0.017 0.000 0.882 304 S HN 0.648 nan 8.310 nan 0.000 0.498 305 L N 0.673 121.882 121.223 -0.024 0.000 2.034 305 L HA -0.216 4.121 4.340 -0.005 0.000 0.217 305 L C 2.890 179.799 176.870 0.065 0.000 1.077 305 L CA 2.175 57.024 54.840 0.016 0.000 0.769 305 L CB -0.874 41.145 42.059 -0.066 0.000 0.890 305 L HN 0.768 nan 8.230 nan 0.000 0.435 306 E N 0.365 120.595 120.200 0.051 0.000 2.085 306 E HA -0.173 4.175 4.350 -0.005 0.000 0.194 306 E C 2.222 178.876 176.600 0.090 0.000 0.994 306 E CA 1.723 58.179 56.400 0.093 0.000 0.801 306 E CB -0.070 29.678 29.700 0.080 0.000 0.743 306 E HN 0.326 nan 8.360 nan 0.000 0.453 307 S N -0.184 115.555 115.700 0.064 0.000 2.368 307 S HA -0.161 4.306 4.470 -0.005 0.000 0.225 307 S C 1.931 176.571 174.600 0.067 0.000 1.030 307 S CA 1.575 59.809 58.200 0.056 0.000 0.999 307 S CB -0.271 62.953 63.200 0.040 0.000 0.844 307 S HN 0.345 nan 8.310 nan 0.000 0.459 308 M N 0.681 120.339 119.600 0.096 0.000 2.159 308 M HA -0.051 4.426 4.480 -0.005 0.000 0.263 308 M C 1.942 178.377 176.300 0.225 0.000 1.063 308 M CA 1.267 56.650 55.300 0.138 0.000 1.110 308 M CB -0.674 32.042 32.600 0.193 0.000 1.374 308 M HN 0.257 nan 8.290 nan 0.000 0.411 309 L N -0.093 121.253 121.223 0.204 0.000 2.072 309 L HA -0.182 4.155 4.340 -0.005 0.000 0.205 309 L C 2.244 179.254 176.870 0.233 0.000 1.079 309 L CA 0.810 55.785 54.840 0.226 0.000 0.752 309 L CB -0.784 41.322 42.059 0.078 0.000 0.906 309 L HN 0.313 nan 8.230 nan 0.000 0.436 310 N N 0.176 118.966 118.700 0.149 0.000 2.022 310 N HA -0.170 4.567 4.740 -0.005 0.000 0.194 310 N C 2.099 177.679 175.510 0.117 0.000 1.057 310 N CA 1.935 55.075 53.050 0.150 0.000 0.849 310 N CB -0.739 37.812 38.487 0.108 0.000 1.044 310 N HN 0.304 nan 8.380 nan 0.000 0.424 311 S N -1.047 114.652 115.700 -0.002 0.000 2.383 311 S HA -0.015 4.452 4.470 -0.005 0.000 0.229 311 S C 1.647 175.948 174.600 -0.499 0.000 1.030 311 S CA 1.661 59.792 58.200 -0.115 0.000 1.002 311 S CB -0.447 62.690 63.200 -0.104 0.000 0.829 311 S HN 0.595 nan 8.310 nan 0.000 0.467 312 G N 1.146 109.499 108.800 -0.744 0.000 2.229 312 G HA2 -0.225 3.732 3.960 -0.005 0.000 0.189 312 G HA3 -0.225 3.732 3.960 -0.005 0.000 0.189 312 G C 0.017 174.078 174.900 -1.398 0.000 1.000 312 G CA -0.080 43.914 45.100 -1.843 0.000 0.663 312 G HN 0.573 nan 8.290 nan 0.000 0.493 313 N N 1.258 119.607 118.700 -0.585 0.000 2.349 313 N HA 0.357 5.094 4.740 -0.005 0.000 0.296 313 N C -0.280 175.193 175.510 -0.062 0.000 1.304 313 N CA 1.155 54.029 53.050 -0.293 0.000 1.051 313 N CB -1.371 37.057 38.487 -0.099 0.000 1.466 313 N HN 0.978 nan 8.380 nan 0.000 0.487 314 F N -0.707 119.188 119.950 -0.092 0.000 2.765 314 F HA 0.311 4.835 4.527 -0.005 0.000 0.313 314 F C -0.512 175.317 175.800 0.048 0.000 1.136 314 F CA -1.375 56.645 58.000 0.034 0.000 0.952 314 F CB 0.413 39.489 39.000 0.127 0.000 1.268 314 F HN -0.058 nan 8.300 nan 0.000 0.441 315 K N 2.085 122.739 120.400 0.423 0.000 2.453 315 K HA 0.128 4.445 4.320 -0.005 0.000 0.280 315 K C -0.825 176.058 176.600 0.472 0.000 1.045 315 K CA 0.049 56.514 56.287 0.296 0.000 1.059 315 K CB 0.423 33.063 32.500 0.233 0.000 0.901 315 K HN 0.733 nan 8.250 nan 0.000 0.475 316 K N 3.306 123.849 120.400 0.238 0.000 2.291 316 K HA 0.096 4.413 4.320 -0.005 0.000 0.242 316 K C -0.129 176.612 176.600 0.235 0.000 1.098 316 K CA -0.318 56.108 56.287 0.232 0.000 1.036 316 K CB 1.461 33.986 32.500 0.041 0.000 1.655 316 K HN 0.497 nan 8.250 nan 0.000 0.432 317 T N -0.090 114.700 114.554 0.394 0.000 2.718 317 T HA 0.246 4.593 4.350 -0.005 0.000 0.267 317 T C -1.215 173.713 174.700 0.380 0.000 0.957 317 T CA -0.761 61.512 62.100 0.288 0.000 1.025 317 T CB 0.891 69.896 68.868 0.229 0.000 1.355 317 T HN 0.431 nan 8.240 nan 0.000 0.572 318 Q N 1.847 121.817 119.800 0.284 0.000 2.222 318 Q HA 0.597 4.934 4.340 -0.005 0.000 0.252 318 Q C -0.428 175.844 176.000 0.453 0.000 0.926 318 Q CA -0.770 55.250 55.803 0.362 0.000 0.899 318 Q CB 1.527 30.457 28.738 0.319 0.000 1.250 318 Q HN 0.803 nan 8.270 nan 0.000 0.441 319 I N -1.404 119.420 120.570 0.424 0.000 2.785 319 I HA 0.673 4.840 4.170 -0.005 0.000 0.302 319 I C -1.299 174.839 176.117 0.034 0.000 1.069 319 I CA -1.556 59.904 61.300 0.267 0.000 1.045 319 I CB 2.232 40.224 38.000 -0.014 0.000 1.236 319 I HN 0.576 nan 8.210 nan 0.000 0.429 320 L N 6.718 127.713 121.223 -0.381 0.000 2.377 320 L HA 0.646 4.983 4.340 -0.005 0.000 0.270 320 L C -1.057 175.657 176.870 -0.259 0.000 0.991 320 L CA -0.347 54.098 54.840 -0.658 0.000 0.851 320 L CB 1.209 42.254 42.059 -1.690 0.000 1.218 320 L HN 0.768 nan 8.230 nan 0.000 0.420 321 L N 2.173 123.384 121.223 -0.020 0.000 2.257 321 L HA 1.172 5.509 4.340 -0.005 0.000 0.257 321 L C -0.231 176.635 176.870 -0.006 0.000 1.033 321 L CA -0.456 54.410 54.840 0.044 0.000 0.835 321 L CB 1.924 43.979 42.059 -0.007 0.000 1.398 321 L HN 0.629 nan 8.230 nan 0.000 0.429 322 G N -0.383 108.234 108.800 -0.307 0.000 2.340 322 G HA2 0.535 4.492 3.960 -0.005 0.000 0.299 322 G HA3 0.535 4.492 3.960 -0.005 0.000 0.299 322 G C -1.425 173.088 174.900 -0.646 0.000 1.291 322 G CA 0.047 44.582 45.100 -0.941 0.000 0.841 322 G HN 1.290 nan 8.290 nan 0.000 0.500 323 V N -2.866 116.701 119.914 -0.579 0.000 3.202 323 V HA 0.880 4.997 4.120 -0.005 0.000 0.306 323 V C -0.987 175.018 176.094 -0.149 0.000 1.283 323 V CA -1.447 60.741 62.300 -0.187 0.000 1.065 323 V CB 1.697 33.499 31.823 -0.035 0.000 1.079 323 V HN 0.721 nan 8.190 nan 0.000 0.448 324 N N 0.247 118.895 118.700 -0.087 0.000 2.443 324 N HA 0.497 5.234 4.740 -0.005 0.000 0.293 324 N C 0.499 175.820 175.510 -0.315 0.000 1.159 324 N CA -0.589 52.391 53.050 -0.117 0.000 0.904 324 N CB 1.890 40.428 38.487 0.086 0.000 1.214 324 N HN 0.898 nan 8.380 nan 0.000 0.513 325 K N 0.020 120.175 120.400 -0.410 0.000 2.009 325 K HA -0.049 4.268 4.320 -0.005 0.000 0.210 325 K C -0.635 176.008 176.600 0.071 0.000 1.049 325 K CA 1.272 57.442 56.287 -0.196 0.000 0.929 325 K CB 0.158 32.613 32.500 -0.075 0.000 0.714 325 K HN 0.561 nan 8.250 nan 0.000 0.440 326 D N 1.244 121.686 120.400 0.069 0.000 2.485 326 D HA 0.044 4.681 4.640 -0.005 0.000 0.256 326 D C 0.084 176.467 176.300 0.138 0.000 1.141 326 D CA -0.053 54.016 54.000 0.115 0.000 0.942 326 D CB 1.504 42.357 40.800 0.088 0.000 1.003 326 D HN 0.191 nan 8.370 nan 0.000 0.507 327 E N 0.701 121.008 120.200 0.179 0.000 2.230 327 E HA -0.034 4.313 4.350 -0.005 0.000 0.192 327 E C 1.960 178.750 176.600 0.317 0.000 0.987 327 E CA 0.269 56.832 56.400 0.271 0.000 0.841 327 E CB 0.298 30.149 29.700 0.253 0.000 0.783 327 E HN 0.442 nan 8.360 nan 0.000 0.481 328 G N 1.605 110.544 108.800 0.231 0.000 2.623 328 G HA2 -0.176 3.781 3.960 -0.005 0.000 0.214 328 G HA3 -0.176 3.781 3.960 -0.005 0.000 0.214 328 G C 1.712 176.740 174.900 0.214 0.000 1.138 328 G CA 0.857 46.103 45.100 0.243 0.000 0.794 328 G HN 0.336 nan 8.290 nan 0.000 0.535 329 S N 1.331 117.116 115.700 0.143 0.000 2.414 329 S HA -0.290 4.177 4.470 -0.005 0.000 0.225 329 S C 2.091 176.646 174.600 -0.074 0.000 1.041 329 S CA 1.597 59.825 58.200 0.047 0.000 1.114 329 S CB -0.954 62.198 63.200 -0.079 0.000 1.064 329 S HN 0.385 nan 8.310 nan 0.000 0.420 330 F N 2.482 122.218 119.950 -0.356 0.000 2.147 330 F HA -0.128 4.396 4.527 -0.006 0.000 0.301 330 F C 1.757 177.262 175.800 -0.492 0.000 1.084 330 F CA 1.451 59.120 58.000 -0.551 0.000 1.268 330 F CB -0.713 37.755 39.000 -0.886 0.000 1.009 330 F HN 0.204 nan 8.300 nan 0.000 0.486 331 F N 0.052 119.816 119.950 -0.311 0.000 2.546 331 F HA -0.094 4.431 4.527 -0.004 0.000 0.298 331 F C 1.905 177.504 175.800 -0.335 0.000 1.120 331 F CA 0.689 58.434 58.000 -0.424 0.000 1.456 331 F CB -0.690 38.076 39.000 -0.390 0.000 1.088 331 F HN -0.003 nan 8.300 nan 0.000 0.572 332 L N -0.533 120.548 121.223 -0.236 0.000 2.509 332 L HA -0.012 4.325 4.340 -0.005 0.000 0.222 332 L C 1.672 178.401 176.870 -0.236 0.000 1.123 332 L CA 0.281 54.854 54.840 -0.444 0.000 0.856 332 L CB -0.286 41.101 42.059 -1.119 0.000 0.985 332 L HN 0.188 nan 8.230 nan 0.000 0.456 333 L N -1.172 120.006 121.223 -0.074 0.000 2.610 333 L HA -0.085 4.252 4.340 -0.005 0.000 0.232 333 L C 0.527 177.360 176.870 -0.061 0.000 1.149 333 L CA 0.393 55.274 54.840 0.070 0.000 0.872 333 L CB -0.250 41.888 42.059 0.131 0.000 0.992 333 L HN 0.249 nan 8.230 nan 0.000 0.447 334 Y N -0.275 119.900 120.300 -0.210 0.000 2.801 334 Y HA 0.428 4.976 4.550 -0.004 0.000 0.318 334 Y C 1.307 177.129 175.900 -0.130 0.000 1.073 334 Y CA -0.139 57.842 58.100 -0.200 0.000 1.360 334 Y CB 0.577 38.863 38.460 -0.290 0.000 1.220 334 Y HN 0.119 nan 8.280 nan 0.000 0.536 335 G N -0.742 108.071 108.800 0.022 0.000 2.901 335 G HA2 -0.070 3.887 3.960 -0.005 0.000 0.194 335 G HA3 -0.070 3.887 3.960 -0.005 0.000 0.194 335 G C 0.331 175.272 174.900 0.070 0.000 1.020 335 G CA -0.435 44.680 45.100 0.025 0.000 0.787 335 G HN 0.461 nan 8.290 nan 0.000 0.477 336 A N 3.229 126.112 122.820 0.104 0.000 2.526 336 A HA 0.543 4.860 4.320 -0.005 0.000 0.267 336 A C -1.335 176.445 177.584 0.326 0.000 1.095 336 A CA -0.156 52.004 52.037 0.205 0.000 0.775 336 A CB -0.398 18.698 19.000 0.160 0.000 1.036 336 A HN 0.294 nan 8.150 nan 0.000 0.510 337 P HA 0.057 nan 4.420 nan 0.000 0.260 337 P C 1.009 178.289 177.300 -0.032 0.000 1.172 337 P CA 1.672 64.814 63.100 0.070 0.000 0.760 337 P CB 0.548 32.270 31.700 0.036 0.000 0.773 338 G N 2.399 111.140 108.800 -0.098 0.000 2.232 338 G HA2 -0.235 3.722 3.960 -0.005 0.000 0.226 338 G HA3 -0.235 3.722 3.960 -0.005 0.000 0.226 338 G C -0.082 174.571 174.900 -0.412 0.000 0.996 338 G CA -0.501 44.429 45.100 -0.283 0.000 0.626 338 G HN 0.415 nan 8.290 nan 0.000 0.509 339 F N 1.472 121.371 119.950 -0.084 0.000 2.382 339 F HA 0.729 5.252 4.527 -0.005 0.000 0.331 339 F C 0.905 176.711 175.800 0.011 0.000 1.121 339 F CA 0.489 58.436 58.000 -0.088 0.000 1.183 339 F CB 1.898 40.905 39.000 0.012 0.000 1.207 339 F HN 0.182 nan 8.300 nan 0.000 0.555 340 S N 0.928 116.811 115.700 0.305 0.000 2.578 340 S HA 0.147 4.615 4.470 -0.005 0.000 0.285 340 S C 0.221 175.093 174.600 0.454 0.000 1.126 340 S CA -0.906 57.466 58.200 0.288 0.000 0.878 340 S CB 1.315 64.587 63.200 0.120 0.000 1.091 340 S HN 0.763 nan 8.310 nan 0.000 0.450 341 K N 1.436 122.014 120.400 0.297 0.000 2.155 341 K HA -0.027 4.290 4.320 -0.005 0.000 0.203 341 K C 0.208 176.866 176.600 0.097 0.000 1.052 341 K CA 1.519 57.886 56.287 0.133 0.000 0.948 341 K CB -0.095 32.161 32.500 -0.406 0.000 0.728 341 K HN 0.632 nan 8.250 nan 0.000 0.448 342 D N 0.735 121.169 120.400 0.057 0.000 2.340 342 D HA -0.018 4.619 4.640 -0.005 0.000 0.220 342 D C 0.594 176.933 176.300 0.065 0.000 1.039 342 D CA 0.248 54.258 54.000 0.018 0.000 0.866 342 D CB 0.566 41.350 40.800 -0.028 0.000 0.913 342 D HN 0.219 nan 8.370 nan 0.000 0.523 343 S N -0.579 115.198 115.700 0.128 0.000 2.811 343 S HA 0.338 4.805 4.470 -0.005 0.000 0.311 343 S C 0.483 175.129 174.600 0.077 0.000 1.152 343 S CA -0.724 57.509 58.200 0.055 0.000 0.864 343 S CB 2.220 65.399 63.200 -0.035 0.000 1.226 343 S HN -0.228 nan 8.310 nan 0.000 0.541 344 E N 0.799 120.960 120.200 -0.066 0.000 2.437 344 E HA 0.208 4.555 4.350 -0.005 0.000 0.189 344 E C -0.353 175.901 176.600 -0.578 0.000 1.054 344 E CA -0.075 56.234 56.400 -0.152 0.000 0.874 344 E CB -0.036 29.642 29.700 -0.036 0.000 1.011 344 E HN 0.650 nan 8.360 nan 0.000 0.474 345 S N 1.607 116.919 115.700 -0.646 0.000 3.348 345 S HA -0.211 4.257 4.470 -0.005 0.000 0.366 345 S C 0.033 174.224 174.600 -0.683 0.000 0.953 345 S CA 0.832 58.561 58.200 -0.784 0.000 1.255 345 S CB -1.244 61.198 63.200 -1.264 0.000 0.906 345 S HN 0.296 nan 8.310 nan 0.000 0.495 346 K N 1.165 121.313 120.400 -0.421 0.000 2.383 346 K HA 0.246 4.563 4.320 -0.005 0.000 0.286 346 K C 0.353 176.758 176.600 -0.324 0.000 1.051 346 K CA -0.119 55.984 56.287 -0.306 0.000 0.974 346 K CB 0.383 32.768 32.500 -0.191 0.000 0.968 346 K HN 0.221 nan 8.250 nan 0.000 0.475 347 I N 2.484 122.870 120.570 -0.307 0.000 2.385 347 I HA 0.081 4.249 4.170 -0.005 0.000 0.294 347 I C 0.927 176.962 176.117 -0.136 0.000 0.988 347 I CA -0.436 60.706 61.300 -0.263 0.000 1.265 347 I CB 1.194 39.042 38.000 -0.254 0.000 1.388 347 I HN 0.642 nan 8.210 nan 0.000 0.480 348 S N 5.447 121.084 115.700 -0.106 0.000 2.617 348 S HA 0.326 4.793 4.470 -0.005 0.000 0.269 348 S C 1.105 175.689 174.600 -0.026 0.000 1.292 348 S CA -0.520 57.639 58.200 -0.068 0.000 1.010 348 S CB 1.864 65.030 63.200 -0.055 0.000 0.944 348 S HN 0.605 nan 8.310 nan 0.000 0.536 349 R N 1.645 122.116 120.500 -0.047 0.000 2.094 349 R HA -0.209 4.129 4.340 -0.005 0.000 0.239 349 R C 2.292 178.632 176.300 0.065 0.000 1.137 349 R CA 2.508 58.583 56.100 -0.042 0.000 0.943 349 R CB -1.218 29.043 30.300 -0.064 0.000 0.850 349 R HN 0.972 nan 8.270 nan 0.000 0.433 350 E N -0.796 119.431 120.200 0.045 0.000 2.204 350 E HA -0.197 4.150 4.350 -0.005 0.000 0.195 350 E C 0.636 177.280 176.600 0.073 0.000 0.990 350 E CA 1.632 58.069 56.400 0.062 0.000 0.821 350 E CB -0.182 29.538 29.700 0.033 0.000 0.750 350 E HN 0.345 nan 8.360 nan 0.000 0.477 351 D N -0.216 120.221 120.400 0.061 0.000 2.305 351 D HA -0.018 4.619 4.640 -0.005 0.000 0.206 351 D C 1.367 177.730 176.300 0.106 0.000 0.974 351 D CA 0.331 54.360 54.000 0.048 0.000 0.871 351 D CB -0.218 40.570 40.800 -0.021 0.000 0.947 351 D HN 0.264 nan 8.370 nan 0.000 0.516 352 F N 1.137 121.074 119.950 -0.021 0.000 2.128 352 F HA -0.073 4.451 4.527 -0.005 0.000 0.295 352 F C 2.145 177.962 175.800 0.028 0.000 1.100 352 F CA 1.167 59.172 58.000 0.008 0.000 1.260 352 F CB -0.168 38.814 39.000 -0.030 0.000 1.009 352 F HN -0.205 nan 8.300 nan 0.000 0.476 353 M N -0.179 119.590 119.600 0.281 0.000 2.149 353 M HA -0.213 4.264 4.480 -0.005 0.000 0.261 353 M C 2.209 178.529 176.300 0.033 0.000 1.064 353 M CA 1.782 57.174 55.300 0.154 0.000 1.102 353 M CB -0.697 32.007 32.600 0.173 0.000 1.369 353 M HN 0.098 nan 8.290 nan 0.000 0.408 354 S N 0.610 116.334 115.700 0.041 0.000 2.345 354 S HA -0.063 4.404 4.470 -0.005 0.000 0.220 354 S C 2.116 176.715 174.600 -0.001 0.000 1.031 354 S CA 1.448 59.662 58.200 0.024 0.000 0.996 354 S CB -0.926 62.295 63.200 0.036 0.000 0.882 354 S HN 0.675 nan 8.310 nan 0.000 0.445 355 G N 1.371 110.167 108.800 -0.006 0.000 2.440 355 G HA2 -0.172 3.785 3.960 -0.005 0.000 0.218 355 G HA3 -0.172 3.785 3.960 -0.005 0.000 0.218 355 G C 1.451 176.286 174.900 -0.108 0.000 1.154 355 G CA 0.979 46.070 45.100 -0.014 0.000 0.767 355 G HN 0.400 nan 8.290 nan 0.000 0.552 356 V N 0.690 120.465 119.914 -0.231 0.000 2.469 356 V HA -0.197 3.920 4.120 -0.005 0.000 0.251 356 V C 2.759 178.790 176.094 -0.105 0.000 1.064 356 V CA 2.257 64.407 62.300 -0.251 0.000 1.066 356 V CB -0.337 31.270 31.823 -0.359 0.000 0.667 356 V HN 0.415 nan 8.190 nan 0.000 0.461 357 K N -0.475 119.889 120.400 -0.060 0.000 2.217 357 K HA 0.001 4.318 4.320 -0.005 0.000 0.202 357 K C 1.948 178.539 176.600 -0.014 0.000 1.051 357 K CA 0.966 57.240 56.287 -0.022 0.000 0.952 357 K CB -0.104 32.397 32.500 0.002 0.000 0.736 357 K HN 0.394 nan 8.250 nan 0.000 0.453 358 L N 0.035 121.247 121.223 -0.019 0.000 2.127 358 L HA -0.050 4.288 4.340 -0.005 0.000 0.203 358 L C 2.252 179.111 176.870 -0.019 0.000 1.080 358 L CA 0.657 55.494 54.840 -0.004 0.000 0.768 358 L CB -0.262 41.797 42.059 0.001 0.000 0.924 358 L HN 0.025 nan 8.230 nan 0.000 0.444 359 S N -0.345 115.329 115.700 -0.044 0.000 2.383 359 S HA -0.082 4.385 4.470 -0.005 0.000 0.229 359 S C 0.993 175.562 174.600 -0.052 0.000 1.030 359 S CA 0.860 59.036 58.200 -0.041 0.000 1.002 359 S CB 0.011 63.171 63.200 -0.066 0.000 0.829 359 S HN 0.149 nan 8.310 nan 0.000 0.467 360 V N 3.191 123.033 119.914 -0.119 0.000 2.225 360 V HA 0.220 4.337 4.120 -0.005 0.000 0.264 360 V C -1.904 174.065 176.094 -0.209 0.000 1.067 360 V CA -1.282 60.853 62.300 -0.274 0.000 0.903 360 V CB 0.842 32.469 31.823 -0.327 0.000 1.136 360 V HN 0.227 nan 8.190 nan 0.000 0.456 361 P HA -0.094 nan 4.420 nan 0.000 0.239 361 P C 0.827 178.198 177.300 0.118 0.000 1.184 361 P CA 1.062 64.194 63.100 0.054 0.000 0.760 361 P CB 0.027 31.747 31.700 0.033 0.000 0.884 362 H N -2.111 116.960 119.070 0.000 0.000 2.639 362 H HA 0.544 5.097 4.556 -0.005 0.000 0.267 362 H C 0.865 176.227 175.328 0.057 0.000 0.958 362 H CA -0.106 55.964 56.048 0.036 0.000 1.221 362 H CB -0.519 29.219 29.762 -0.039 0.000 1.446 362 H HN -0.026 nan 8.280 nan 0.000 0.512 363 A N 1.663 124.252 122.820 -0.384 0.000 2.366 363 A HA 0.274 4.591 4.320 -0.005 0.000 0.249 363 A C 0.109 177.666 177.584 -0.045 0.000 1.084 363 A CA -0.287 51.635 52.037 -0.191 0.000 0.794 363 A CB 0.105 18.956 19.000 -0.248 0.000 1.034 363 A HN 0.750 nan 8.150 nan 0.000 0.491 364 N N 0.312 119.007 118.700 -0.009 0.000 2.447 364 N HA 0.163 4.900 4.740 -0.005 0.000 0.271 364 N C 0.103 175.621 175.510 0.014 0.000 1.226 364 N CA -0.455 52.602 53.050 0.011 0.000 0.980 364 N CB 0.243 38.739 38.487 0.016 0.000 1.206 364 N HN 0.522 nan 8.380 nan 0.000 0.558 365 D N -0.597 119.815 120.400 0.021 0.000 2.149 365 D HA -0.172 4.466 4.640 -0.005 0.000 0.194 365 D C 1.615 177.940 176.300 0.042 0.000 1.001 365 D CA 1.245 55.263 54.000 0.030 0.000 0.849 365 D CB -0.055 40.762 40.800 0.028 0.000 0.939 365 D HN 0.408 nan 8.370 nan 0.000 0.449 366 L N 0.970 122.216 121.223 0.038 0.000 2.141 366 L HA 0.036 4.373 4.340 -0.005 0.000 0.209 366 L C 2.206 179.117 176.870 0.068 0.000 1.094 366 L CA 1.788 56.658 54.840 0.051 0.000 0.763 366 L CB -0.731 41.351 42.059 0.038 0.000 0.908 366 L HN -0.012 nan 8.230 nan 0.000 0.437 367 G N -0.639 108.190 108.800 0.048 0.000 2.403 367 G HA2 -0.149 3.808 3.960 -0.005 0.000 0.216 367 G HA3 -0.149 3.808 3.960 -0.005 0.000 0.216 367 G C 1.525 176.471 174.900 0.077 0.000 1.154 367 G CA 0.758 45.891 45.100 0.056 0.000 0.784 367 G HN 0.423 nan 8.290 nan 0.000 0.538 368 L N 0.363 121.617 121.223 0.053 0.000 2.291 368 L HA 0.029 4.366 4.340 -0.005 0.000 0.214 368 L C 2.147 179.079 176.870 0.104 0.000 1.120 368 L CA 0.630 55.507 54.840 0.062 0.000 0.799 368 L CB -0.190 41.892 42.059 0.038 0.000 0.925 368 L HN 0.084 nan 8.230 nan 0.000 0.446 369 D N 0.394 120.858 120.400 0.108 0.000 2.162 369 D HA -0.069 4.568 4.640 -0.005 0.000 0.203 369 D C 2.237 178.620 176.300 0.139 0.000 0.967 369 D CA 1.293 55.371 54.000 0.131 0.000 0.840 369 D CB 0.261 41.124 40.800 0.105 0.000 0.972 369 D HN 0.263 nan 8.370 nan 0.000 0.482 370 A N 0.671 123.576 122.820 0.142 0.000 1.930 370 A HA -0.110 4.207 4.320 -0.005 0.000 0.217 370 A C 2.492 180.086 177.584 0.016 0.000 1.175 370 A CA 1.041 53.171 52.037 0.154 0.000 0.627 370 A CB -0.571 18.634 19.000 0.342 0.000 0.815 370 A HN 0.128 nan 8.150 nan 0.000 0.443 371 V N -0.519 119.478 119.914 0.139 0.000 2.323 371 V HA -0.186 3.932 4.120 -0.005 0.000 0.244 371 V C 2.710 178.906 176.094 0.170 0.000 1.041 371 V CA 2.364 64.749 62.300 0.142 0.000 1.025 371 V CB -1.299 30.633 31.823 0.181 0.000 0.656 371 V HN 0.570 nan 8.190 nan 0.000 0.451 372 T N 0.846 115.518 114.554 0.195 0.000 2.684 372 T HA -0.200 4.147 4.350 -0.005 0.000 0.267 372 T C 1.909 176.750 174.700 0.236 0.000 1.036 372 T CA 1.957 64.236 62.100 0.299 0.000 1.148 372 T CB -0.375 68.675 68.868 0.305 0.000 0.863 372 T HN 0.313 nan 8.240 nan 0.000 0.436 373 L N 1.039 122.403 121.223 0.235 0.000 2.131 373 L HA -0.018 4.319 4.340 -0.005 0.000 0.210 373 L C 2.408 179.317 176.870 0.066 0.000 1.092 373 L CA 1.732 56.763 54.840 0.318 0.000 0.759 373 L CB -0.645 41.549 42.059 0.225 0.000 0.903 373 L HN 0.158 nan 8.230 nan 0.000 0.435 374 Q N -1.200 118.499 119.800 -0.167 0.000 2.083 374 Q HA -0.147 4.190 4.340 -0.005 0.000 0.198 374 Q C 0.913 176.659 176.000 -0.424 0.000 0.969 374 Q CA 1.687 57.216 55.803 -0.457 0.000 0.838 374 Q CB -0.217 27.915 28.738 -1.011 0.000 0.900 374 Q HN 0.643 nan 8.270 nan 0.000 0.436 375 Y N -0.142 120.130 120.300 -0.045 0.000 2.683 375 Y HA 0.357 4.904 4.550 -0.005 0.000 0.297 375 Y C -0.433 175.473 175.900 0.009 0.000 1.147 375 Y CA -0.190 57.963 58.100 0.088 0.000 1.274 375 Y CB 0.783 39.398 38.460 0.257 0.000 1.143 375 Y HN -0.131 nan 8.280 nan 0.000 0.527 376 T N 0.072 114.515 114.554 -0.183 0.000 2.841 376 T HA 0.126 4.473 4.350 -0.005 0.000 0.283 376 T C -1.163 173.162 174.700 -0.624 0.000 1.000 376 T CA -0.751 60.975 62.100 -0.622 0.000 0.977 376 T CB 1.486 69.647 68.868 -1.179 0.000 0.979 376 T HN -0.025 nan 8.240 nan 0.000 0.446 377 D N 1.687 121.770 120.400 -0.528 0.000 2.456 377 D HA 0.173 4.810 4.640 -0.005 0.000 0.219 377 D C 0.179 176.292 176.300 -0.311 0.000 1.126 377 D CA -0.759 53.062 54.000 -0.299 0.000 0.890 377 D CB 0.342 41.035 40.800 -0.178 0.000 1.025 377 D HN 0.598 nan 8.370 nan 0.000 0.511 378 W N 2.613 123.861 121.300 -0.086 0.000 2.525 378 W HA -0.067 4.590 4.660 -0.004 0.000 0.259 378 W C 1.884 178.365 176.519 -0.063 0.000 1.253 378 W CA -0.170 57.129 57.345 -0.077 0.000 1.262 378 W CB -0.089 29.332 29.460 -0.065 0.000 1.122 378 W HN 0.382 nan 8.180 nan 0.000 0.607 379 M N -0.065 119.609 119.600 0.122 0.000 2.561 379 M HA 0.008 4.485 4.480 -0.005 0.000 0.238 379 M C -0.059 176.250 176.300 0.014 0.000 1.131 379 M CA 1.236 56.574 55.300 0.064 0.000 1.046 379 M CB 0.093 32.717 32.600 0.040 0.000 1.532 379 M HN -0.260 nan 8.290 nan 0.000 0.497 380 D N -0.661 119.724 120.400 -0.025 0.000 3.888 380 D HA -0.001 4.636 4.640 -0.005 0.000 0.271 380 D C -0.209 176.010 176.300 -0.135 0.000 1.399 380 D CA 0.253 54.216 54.000 -0.062 0.000 0.775 380 D CB -0.099 40.665 40.800 -0.060 0.000 1.356 380 D HN 0.285 nan 8.370 nan 0.000 0.753 381 D N -0.936 119.374 120.400 -0.150 0.000 2.403 381 D HA -0.084 4.553 4.640 -0.005 0.000 0.227 381 D C 0.707 176.868 176.300 -0.231 0.000 0.995 381 D CA 0.486 54.317 54.000 -0.281 0.000 0.928 381 D CB 0.077 40.723 40.800 -0.256 0.000 0.887 381 D HN 0.104 nan 8.370 nan 0.000 0.529 382 N N -0.010 118.604 118.700 -0.144 0.000 2.184 382 N HA -0.035 4.703 4.740 -0.005 0.000 0.206 382 N C -0.121 175.325 175.510 -0.107 0.000 1.151 382 N CA -0.246 52.736 53.050 -0.113 0.000 0.878 382 N CB 0.072 38.518 38.487 -0.068 0.000 1.014 382 N HN 0.139 nan 8.380 nan 0.000 0.512 383 N N 1.237 119.868 118.700 -0.116 0.000 2.416 383 N HA 0.014 4.751 4.740 -0.005 0.000 0.265 383 N C 1.277 176.727 175.510 -0.100 0.000 1.195 383 N CA 0.137 53.131 53.050 -0.093 0.000 0.943 383 N CB 0.947 39.385 38.487 -0.081 0.000 1.115 383 N HN 0.155 nan 8.380 nan 0.000 0.481 384 G N 4.142 112.887 108.800 -0.093 0.000 2.462 384 G HA2 -0.193 3.764 3.960 -0.005 0.000 0.220 384 G HA3 -0.193 3.764 3.960 -0.005 0.000 0.220 384 G C 1.550 176.390 174.900 -0.099 0.000 1.121 384 G CA 0.525 45.559 45.100 -0.110 0.000 0.758 384 G HN 0.702 nan 8.290 nan 0.000 0.559 385 I N -0.156 120.376 120.570 -0.063 0.000 2.333 385 I HA -0.047 4.120 4.170 -0.005 0.000 0.246 385 I C 2.712 178.835 176.117 0.010 0.000 1.106 385 I CA 0.928 62.214 61.300 -0.024 0.000 1.411 385 I CB -0.108 37.891 38.000 -0.002 0.000 1.082 385 I HN 0.079 nan 8.210 nan 0.000 0.420 386 K N 0.646 121.037 120.400 -0.015 0.000 2.148 386 K HA -0.095 4.222 4.320 -0.005 0.000 0.204 386 K C 1.786 178.392 176.600 0.009 0.000 1.050 386 K CA 1.072 57.355 56.287 -0.007 0.000 0.942 386 K CB -0.140 32.322 32.500 -0.063 0.000 0.724 386 K HN 0.260 nan 8.250 nan 0.000 0.446 387 N N 0.828 119.506 118.700 -0.037 0.000 2.270 387 N HA -0.115 4.622 4.740 -0.005 0.000 0.181 387 N C 1.665 177.329 175.510 0.256 0.000 1.016 387 N CA 0.768 53.843 53.050 0.042 0.000 0.870 387 N CB -0.032 38.419 38.487 -0.061 0.000 0.979 387 N HN 0.202 nan 8.380 nan 0.000 0.431 388 R N 1.104 121.668 120.500 0.108 0.000 2.062 388 R HA -0.082 4.255 4.340 -0.005 0.000 0.231 388 R C 0.857 177.334 176.300 0.294 0.000 1.136 388 R CA 1.436 57.617 56.100 0.136 0.000 0.948 388 R CB -0.007 30.268 30.300 -0.042 0.000 0.845 388 R HN 0.041 nan 8.270 nan 0.000 0.430 389 D N -0.500 120.042 120.400 0.236 0.000 2.144 389 D HA -0.102 4.536 4.640 -0.005 0.000 0.199 389 D C 1.681 178.156 176.300 0.292 0.000 0.984 389 D CA 1.553 55.708 54.000 0.258 0.000 0.834 389 D CB -0.468 40.453 40.800 0.201 0.000 0.955 389 D HN 0.528 nan 8.370 nan 0.000 0.465 390 G N 0.117 109.118 108.800 0.335 0.000 2.534 390 G HA2 -0.134 3.823 3.960 -0.005 0.000 0.217 390 G HA3 -0.134 3.823 3.960 -0.005 0.000 0.217 390 G C 1.486 176.600 174.900 0.356 0.000 1.128 390 G CA 0.085 45.458 45.100 0.454 0.000 0.784 390 G HN 0.180 nan 8.290 nan 0.000 0.542 391 L N 0.293 121.703 121.223 0.312 0.000 2.249 391 L HA 0.210 4.547 4.340 -0.005 0.000 0.207 391 L C 2.048 178.980 176.870 0.103 0.000 1.090 391 L CA 1.236 56.143 54.840 0.112 0.000 0.802 391 L CB -0.001 42.205 42.059 0.246 0.000 0.947 391 L HN 0.115 nan 8.230 nan 0.000 0.453 392 D N -0.454 120.070 120.400 0.207 0.000 2.117 392 D HA -0.188 4.449 4.640 -0.005 0.000 0.198 392 D C 1.411 177.800 176.300 0.148 0.000 0.982 392 D CA 1.187 55.302 54.000 0.192 0.000 0.828 392 D CB 0.190 41.163 40.800 0.288 0.000 0.967 392 D HN 0.287 nan 8.370 nan 0.000 0.464 393 D N -0.067 120.439 120.400 0.176 0.000 2.178 393 D HA -0.049 4.588 4.640 -0.005 0.000 0.202 393 D C 2.193 178.514 176.300 0.034 0.000 0.974 393 D CA 0.303 54.422 54.000 0.198 0.000 0.841 393 D CB -0.114 40.918 40.800 0.386 0.000 0.953 393 D HN 0.375 nan 8.370 nan 0.000 0.478 394 I N 0.372 120.824 120.570 -0.197 0.000 2.394 394 I HA -0.188 3.979 4.170 -0.005 0.000 0.251 394 I C 2.060 178.093 176.117 -0.141 0.000 1.136 394 I CA 0.574 61.691 61.300 -0.306 0.000 1.425 394 I CB 0.060 37.857 38.000 -0.339 0.000 1.079 394 I HN -0.081 nan 8.210 nan 0.000 0.425 395 V N 0.529 120.396 119.914 -0.079 0.000 2.407 395 V HA -0.052 4.066 4.120 -0.005 0.000 0.245 395 V C 2.569 178.605 176.094 -0.097 0.000 1.041 395 V CA 1.788 64.051 62.300 -0.061 0.000 1.040 395 V CB -1.335 30.500 31.823 0.020 0.000 0.671 395 V HN 0.492 nan 8.190 nan 0.000 0.455 396 G N 0.262 109.056 108.800 -0.010 0.000 2.404 396 G HA2 -0.206 3.751 3.960 -0.005 0.000 0.215 396 G HA3 -0.206 3.751 3.960 -0.005 0.000 0.215 396 G C 1.160 176.021 174.900 -0.065 0.000 1.174 396 G CA 1.087 46.196 45.100 0.014 0.000 0.780 396 G HN 0.510 nan 8.290 nan 0.000 0.537 397 D N -0.168 120.200 120.400 -0.053 0.000 2.077 397 D HA -0.075 4.562 4.640 -0.005 0.000 0.196 397 D C 2.111 178.128 176.300 -0.472 0.000 0.986 397 D CA 1.403 55.341 54.000 -0.103 0.000 0.829 397 D CB -0.729 40.170 40.800 0.165 0.000 0.983 397 D HN 0.407 nan 8.370 nan 0.000 0.453 398 H N 0.966 119.446 119.070 -0.984 0.000 2.319 398 H HA -0.017 4.536 4.556 -0.005 0.000 0.299 398 H C 1.399 176.316 175.328 -0.686 0.000 1.092 398 H CA 1.872 57.136 56.048 -1.308 0.000 1.302 398 H CB -0.092 28.736 29.762 -1.556 0.000 1.373 398 H HN 0.003 nan 8.280 nan 0.000 0.497 399 N N -0.757 117.459 118.700 -0.807 0.000 2.424 399 N HA 0.002 4.739 4.740 -0.005 0.000 0.178 399 N C 0.895 176.103 175.510 -0.503 0.000 1.060 399 N CA 0.998 53.531 53.050 -0.861 0.000 0.901 399 N CB 1.172 38.886 38.487 -1.288 0.000 0.979 399 N HN 0.299 nan 8.380 nan 0.000 0.451 400 V N 0.056 119.785 119.914 -0.308 0.000 3.889 400 V HA 0.131 4.248 4.120 -0.005 0.000 0.184 400 V C 1.945 177.994 176.094 -0.075 0.000 1.311 400 V CA -0.183 62.059 62.300 -0.096 0.000 1.277 400 V CB 0.154 32.001 31.823 0.041 0.000 1.364 400 V HN -0.087 nan 8.190 nan 0.000 0.567 401 I N 0.805 121.351 120.570 -0.040 0.000 2.151 401 I HA -0.334 3.833 4.170 -0.005 0.000 0.243 401 I C 2.476 178.588 176.117 -0.007 0.000 1.080 401 I CA 2.082 63.385 61.300 0.005 0.000 1.339 401 I CB -0.419 37.632 38.000 0.085 0.000 1.039 401 I HN 0.433 nan 8.210 nan 0.000 0.409 402 c N 0.407 118.984 118.600 -0.037 0.000 2.486 402 c HA 0.008 4.575 4.570 -0.005 0.000 0.279 402 c C 0.230 174.323 174.090 0.004 0.000 1.302 402 c CA 0.475 56.813 56.329 0.016 0.000 1.720 402 c CB -1.764 40.779 42.510 0.055 0.000 2.030 402 c HN 0.334 nan 8.230 nan 0.000 0.490 403 P HA -0.092 nan 4.420 nan 0.000 0.220 403 P C 1.647 178.944 177.300 -0.004 0.000 1.148 403 P CA 1.077 64.130 63.100 -0.078 0.000 0.803 403 P CB -0.140 31.419 31.700 -0.236 0.000 0.782 404 L N -1.964 119.240 121.223 -0.031 0.000 2.131 404 L HA -0.051 4.286 4.340 -0.005 0.000 0.206 404 L C 1.985 178.884 176.870 0.049 0.000 1.087 404 L CA 1.496 56.328 54.840 -0.015 0.000 0.767 404 L CB -0.503 41.519 42.059 -0.062 0.000 0.917 404 L HN -0.130 nan 8.230 nan 0.000 0.441 405 M N -1.193 118.428 119.600 0.035 0.000 2.394 405 M HA -0.152 4.325 4.480 -0.005 0.000 0.264 405 M C 2.086 178.445 176.300 0.099 0.000 1.073 405 M CA 1.288 56.607 55.300 0.033 0.000 1.111 405 M CB -1.357 31.276 32.600 0.055 0.000 1.401 405 M HN 0.425 nan 8.290 nan 0.000 0.448 406 H N -0.249 118.850 119.070 0.048 0.000 2.403 406 H HA -0.084 4.469 4.556 -0.005 0.000 0.298 406 H C 1.753 177.130 175.328 0.081 0.000 1.059 406 H CA 1.381 57.466 56.048 0.062 0.000 1.363 406 H CB -0.226 29.563 29.762 0.044 0.000 1.410 406 H HN 0.248 nan 8.280 nan 0.000 0.528 407 F N 0.219 120.076 119.950 -0.155 0.000 2.186 407 F HA -0.093 4.431 4.527 -0.004 0.000 0.299 407 F C 1.966 177.668 175.800 -0.164 0.000 1.090 407 F CA 1.231 59.108 58.000 -0.205 0.000 1.307 407 F CB -0.561 38.340 39.000 -0.165 0.000 1.019 407 F HN 0.041 nan 8.300 nan 0.000 0.489 408 V N 1.306 121.154 119.914 -0.110 0.000 2.255 408 V HA -0.357 3.760 4.120 -0.005 0.000 0.247 408 V C 2.299 178.286 176.094 -0.179 0.000 1.051 408 V CA 2.387 64.532 62.300 -0.258 0.000 1.018 408 V CB -0.977 30.599 31.823 -0.410 0.000 0.641 408 V HN 0.433 nan 8.190 nan 0.000 0.445 409 N N -0.123 118.536 118.700 -0.069 0.000 2.120 409 N HA -0.168 4.569 4.740 -0.005 0.000 0.188 409 N C 1.912 177.419 175.510 -0.005 0.000 1.024 409 N CA 1.144 54.231 53.050 0.062 0.000 0.852 409 N CB -0.122 38.429 38.487 0.106 0.000 1.003 409 N HN 0.399 nan 8.380 nan 0.000 0.424 410 K N 0.698 121.019 120.400 -0.132 0.000 2.025 410 K HA -0.131 4.186 4.320 -0.005 0.000 0.207 410 K C 1.937 178.536 176.600 -0.002 0.000 1.049 410 K CA 0.864 57.103 56.287 -0.080 0.000 0.933 410 K CB -0.875 31.498 32.500 -0.211 0.000 0.714 410 K HN 0.300 nan 8.250 nan 0.000 0.438 411 Y N 2.324 122.382 120.300 -0.403 0.000 2.181 411 Y HA -0.200 4.347 4.550 -0.005 0.000 0.288 411 Y C 2.084 177.973 175.900 -0.019 0.000 1.146 411 Y CA 1.905 59.731 58.100 -0.455 0.000 1.164 411 Y CB -0.371 37.492 38.460 -0.996 0.000 0.982 411 Y HN 0.053 nan 8.280 nan 0.000 0.515 412 T N 0.424 115.018 114.554 0.066 0.000 2.946 412 T HA -0.169 4.178 4.350 -0.005 0.000 0.271 412 T C 1.555 176.252 174.700 -0.004 0.000 1.104 412 T CA 1.524 63.691 62.100 0.111 0.000 1.114 412 T CB -0.200 68.835 68.868 0.277 0.000 0.867 412 T HN 0.362 nan 8.240 nan 0.000 0.513 413 K N 0.034 120.405 120.400 -0.048 0.000 2.288 413 K HA 0.081 4.398 4.320 -0.005 0.000 0.201 413 K C 0.624 176.868 176.600 -0.594 0.000 1.048 413 K CA 0.892 56.999 56.287 -0.300 0.000 0.956 413 K CB 0.079 32.372 32.500 -0.345 0.000 0.746 413 K HN 0.407 nan 8.250 nan 0.000 0.461 414 F N -0.582 119.322 119.950 -0.077 0.000 2.838 414 F HA 0.249 4.773 4.527 -0.005 0.000 0.329 414 F C 1.071 176.735 175.800 -0.226 0.000 1.116 414 F CA -0.872 57.033 58.000 -0.157 0.000 1.155 414 F CB 0.522 39.338 39.000 -0.308 0.000 1.106 414 F HN -0.155 nan 8.300 nan 0.000 0.538 415 G N 0.264 108.963 108.800 -0.168 0.000 2.606 415 G HA2 0.029 3.986 3.960 -0.005 0.000 0.252 415 G HA3 0.029 3.986 3.960 -0.005 0.000 0.252 415 G C 0.219 175.157 174.900 0.063 0.000 1.206 415 G CA -0.345 44.655 45.100 -0.167 0.000 0.861 415 G HN 0.222 nan 8.290 nan 0.000 0.561 416 N N 0.382 119.187 118.700 0.174 0.000 2.546 416 N HA 0.323 5.060 4.740 -0.005 0.000 0.286 416 N C 0.376 175.979 175.510 0.155 0.000 1.259 416 N CA 0.612 53.741 53.050 0.131 0.000 0.939 416 N CB 0.045 38.606 38.487 0.123 0.000 1.243 416 N HN 1.032 nan 8.380 nan 0.000 0.511 417 G N 0.341 109.236 108.800 0.158 0.000 2.841 417 G HA2 -0.103 3.854 3.960 -0.005 0.000 0.684 417 G HA3 -0.103 3.854 3.960 -0.005 0.000 0.684 417 G C -1.165 173.835 174.900 0.167 0.000 1.273 417 G CA -0.889 44.287 45.100 0.127 0.000 0.811 417 G HN 0.103 nan 8.290 nan 0.000 0.631 418 T N 1.211 115.754 114.554 -0.018 0.000 2.952 418 T HA 0.672 5.020 4.350 -0.005 0.000 0.305 418 T C -1.345 173.192 174.700 -0.271 0.000 1.064 418 T CA -0.472 61.642 62.100 0.023 0.000 1.008 418 T CB 1.517 70.484 68.868 0.165 0.000 1.078 418 T HN 0.575 nan 8.240 nan 0.000 0.459 419 Y N 1.616 121.933 120.300 0.028 0.000 2.391 419 Y HA 0.745 5.292 4.550 -0.005 0.000 0.341 419 Y C -0.585 175.445 175.900 0.217 0.000 0.965 419 Y CA -1.160 56.953 58.100 0.022 0.000 1.067 419 Y CB 1.719 39.825 38.460 -0.591 0.000 1.199 419 Y HN 0.440 nan 8.280 nan 0.000 0.450 420 L N 5.156 126.781 121.223 0.669 0.000 2.365 420 L HA 0.626 4.963 4.340 -0.005 0.000 0.273 420 L C -1.278 176.051 176.870 0.766 0.000 1.000 420 L CA -1.074 54.076 54.840 0.517 0.000 0.819 420 L CB 1.104 43.305 42.059 0.236 0.000 1.284 420 L HN 0.582 nan 8.230 nan 0.000 0.418 421 Y N 2.884 123.480 120.300 0.493 0.000 2.633 421 Y HA 0.779 5.326 4.550 -0.005 0.000 0.339 421 Y C -1.704 174.436 175.900 0.400 0.000 1.045 421 Y CA -1.815 56.541 58.100 0.426 0.000 1.098 421 Y CB 1.478 40.201 38.460 0.439 0.000 1.296 421 Y HN 0.495 nan 8.280 nan 0.000 0.494 422 F N 3.304 123.503 119.950 0.414 0.000 3.090 422 F HA 0.364 4.888 4.527 -0.004 0.000 0.381 422 F C -1.864 174.183 175.800 0.411 0.000 1.231 422 F CA -1.585 56.554 58.000 0.232 0.000 1.177 422 F CB 0.567 39.642 39.000 0.125 0.000 1.598 422 F HN 0.567 nan 8.300 nan 0.000 0.589 423 F N 6.800 126.850 119.950 0.166 0.000 2.494 423 F HA 0.234 4.758 4.527 -0.005 0.000 0.369 423 F C 0.501 176.197 175.800 -0.172 0.000 1.098 423 F CA 0.105 58.155 58.000 0.083 0.000 1.154 423 F CB 0.421 39.529 39.000 0.180 0.000 1.103 423 F HN 0.517 nan 8.300 nan 0.000 0.549 424 N N 2.929 121.344 118.700 -0.476 0.000 2.433 424 N HA 0.093 4.830 4.740 -0.005 0.000 0.270 424 N C -1.032 174.265 175.510 -0.355 0.000 1.354 424 N CA -0.549 52.297 53.050 -0.340 0.000 0.889 424 N CB -0.531 37.920 38.487 -0.060 0.000 1.285 424 N HN 0.598 nan 8.380 nan 0.000 0.503 425 H N 0.335 118.886 119.070 -0.866 0.000 2.458 425 H HA 0.486 5.039 4.556 -0.005 0.000 0.330 425 H C -0.554 174.620 175.328 -0.256 0.000 1.111 425 H CA -0.730 54.995 56.048 -0.538 0.000 1.245 425 H CB 1.082 30.447 29.762 -0.662 0.000 1.456 425 H HN 0.115 nan 8.280 nan 0.000 0.488 426 R N 3.722 123.822 120.500 -0.667 0.000 2.229 426 R HA 0.533 4.870 4.340 -0.005 0.000 0.328 426 R C -0.629 175.418 176.300 -0.422 0.000 1.009 426 R CA -0.718 55.173 56.100 -0.347 0.000 0.864 426 R CB 0.553 30.733 30.300 -0.200 0.000 1.085 426 R HN 0.841 nan 8.270 nan 0.000 0.453 427 A N 2.791 125.640 122.820 0.047 0.000 2.567 427 A HA -0.018 4.299 4.320 -0.005 0.000 0.240 427 A C 1.277 178.892 177.584 0.052 0.000 1.053 427 A CA 0.580 52.761 52.037 0.241 0.000 0.755 427 A CB 0.267 19.471 19.000 0.341 0.000 0.978 427 A HN 1.008 nan 8.150 nan 0.000 0.507 428 S N 1.579 117.333 115.700 0.091 0.000 2.447 428 S HA -0.144 4.324 4.470 -0.005 0.000 0.233 428 S C 0.839 175.407 174.600 -0.053 0.000 1.006 428 S CA 1.018 59.233 58.200 0.026 0.000 0.957 428 S CB -0.371 62.881 63.200 0.086 0.000 0.773 428 S HN 0.927 nan 8.310 nan 0.000 0.507 429 N N 0.688 119.299 118.700 -0.147 0.000 2.321 429 N HA 0.265 5.002 4.740 -0.005 0.000 0.242 429 N C -0.532 174.903 175.510 -0.126 0.000 1.141 429 N CA -0.533 52.407 53.050 -0.183 0.000 0.864 429 N CB -0.383 37.899 38.487 -0.342 0.000 1.100 429 N HN 0.279 nan 8.380 nan 0.000 0.510 430 L N 1.676 122.868 121.223 -0.051 0.000 2.410 430 L HA 0.086 4.423 4.340 -0.005 0.000 0.273 430 L C 1.199 178.061 176.870 -0.012 0.000 1.144 430 L CA -0.051 54.793 54.840 0.006 0.000 0.863 430 L CB 1.133 43.212 42.059 0.032 0.000 1.140 430 L HN 0.230 nan 8.230 nan 0.000 0.463 431 V N 1.431 121.317 119.914 -0.046 0.000 3.649 431 V HA 0.156 4.273 4.120 -0.005 0.000 0.275 431 V C 0.430 176.509 176.094 -0.026 0.000 1.281 431 V CA -0.464 61.788 62.300 -0.080 0.000 1.143 431 V CB -1.317 30.381 31.823 -0.207 0.000 0.892 431 V HN 0.637 nan 8.190 nan 0.000 0.441 432 W N 1.507 122.796 121.300 -0.018 0.000 2.283 432 W HA 0.562 5.221 4.660 -0.002 0.000 0.341 432 W C -1.938 174.498 176.519 -0.138 0.000 1.206 432 W CA -2.387 54.935 57.345 -0.039 0.000 1.294 432 W CB 0.283 29.604 29.460 -0.233 0.000 1.154 432 W HN -0.058 nan 8.180 nan 0.000 0.613 433 P HA -0.005 nan 4.420 nan 0.000 0.267 433 P C 0.012 177.207 177.300 -0.174 0.000 1.205 433 P CA 0.381 63.426 63.100 -0.091 0.000 0.765 433 P CB 1.239 32.854 31.700 -0.141 0.000 0.828 434 E N 3.191 123.378 120.200 -0.022 0.000 2.164 434 E HA -0.230 4.117 4.350 -0.005 0.000 0.206 434 E C 1.683 178.309 176.600 0.043 0.000 1.032 434 E CA 2.200 58.613 56.400 0.022 0.000 0.832 434 E CB -0.864 28.886 29.700 0.083 0.000 0.742 434 E HN 0.714 nan 8.360 nan 0.000 0.460 435 W N -0.070 121.273 121.300 0.071 0.000 2.611 435 W HA 0.005 4.661 4.660 -0.006 0.000 0.251 435 W C 1.165 177.740 176.519 0.093 0.000 1.265 435 W CA 0.517 57.912 57.345 0.083 0.000 1.295 435 W CB -0.607 28.909 29.460 0.093 0.000 1.129 435 W HN 0.080 nan 8.180 nan 0.000 0.630 436 M N 1.381 120.634 119.600 -0.578 0.000 2.562 436 M HA 0.136 4.613 4.480 -0.005 0.000 0.257 436 M C 1.679 177.855 176.300 -0.206 0.000 1.099 436 M CA 1.383 56.334 55.300 -0.582 0.000 1.099 436 M CB -0.612 31.523 32.600 -0.774 0.000 1.427 436 M HN 0.126 nan 8.290 nan 0.000 0.489 437 G N 0.552 109.295 108.800 -0.095 0.000 2.574 437 G HA2 -0.282 3.675 3.960 -0.005 0.000 0.282 437 G HA3 -0.282 3.675 3.960 -0.005 0.000 0.282 437 G C -0.237 174.629 174.900 -0.056 0.000 1.257 437 G CA -0.317 44.766 45.100 -0.029 0.000 0.956 437 G HN 0.205 nan 8.290 nan 0.000 0.560 438 V N 2.084 121.994 119.914 -0.006 0.000 2.352 438 V HA 0.350 4.467 4.120 -0.005 0.000 0.253 438 V C 1.231 177.362 176.094 0.060 0.000 1.083 438 V CA 0.041 62.370 62.300 0.049 0.000 0.993 438 V CB -0.328 31.533 31.823 0.063 0.000 1.111 438 V HN 0.561 nan 8.190 nan 0.000 0.490 439 I N 2.608 123.176 120.570 -0.004 0.000 2.882 439 I HA 0.158 4.325 4.170 -0.005 0.000 0.286 439 I C 0.859 177.074 176.117 0.162 0.000 1.139 439 I CA -0.580 60.700 61.300 -0.033 0.000 1.379 439 I CB 0.127 37.873 38.000 -0.422 0.000 1.410 439 I HN 0.556 nan 8.210 nan 0.000 0.594 440 H N 2.896 121.972 119.070 0.009 0.000 3.107 440 H HA 0.223 4.776 4.556 -0.005 0.000 0.301 440 H C 1.004 176.276 175.328 -0.094 0.000 0.981 440 H CA 1.210 57.267 56.048 0.015 0.000 1.443 440 H CB 0.211 30.027 29.762 0.090 0.000 1.479 440 H HN 0.792 nan 8.280 nan 0.000 0.564 441 G N 3.752 112.342 108.800 -0.350 0.000 2.176 441 G HA2 -0.334 3.623 3.960 -0.005 0.000 0.253 441 G HA3 -0.334 3.623 3.960 -0.005 0.000 0.253 441 G C 0.364 175.117 174.900 -0.245 0.000 0.979 441 G CA 0.413 45.282 45.100 -0.386 0.000 0.641 441 G HN 0.644 nan 8.290 nan 0.000 0.530 442 Y N 1.514 121.811 120.300 -0.005 0.000 2.547 442 Y HA 0.398 4.945 4.550 -0.005 0.000 0.325 442 Y C 1.857 177.805 175.900 0.080 0.000 1.165 442 Y CA 0.964 59.149 58.100 0.141 0.000 1.300 442 Y CB 0.177 38.738 38.460 0.169 0.000 1.126 442 Y HN 0.553 nan 8.280 nan 0.000 0.513 443 E N -1.943 118.188 120.200 -0.116 0.000 2.453 443 E HA 0.098 4.445 4.350 -0.005 0.000 0.211 443 E C 1.655 178.176 176.600 -0.131 0.000 0.897 443 E CA 0.201 56.302 56.400 -0.499 0.000 1.063 443 E CB -0.360 28.878 29.700 -0.769 0.000 1.080 443 E HN 0.351 nan 8.360 nan 0.000 0.512 444 I N 2.749 123.322 120.570 0.006 0.000 2.248 444 I HA -0.323 3.844 4.170 -0.005 0.000 0.248 444 I C 2.240 178.385 176.117 0.046 0.000 1.107 444 I CA 2.047 63.396 61.300 0.083 0.000 1.373 444 I CB -0.558 37.527 38.000 0.143 0.000 1.055 444 I HN 0.270 nan 8.210 nan 0.000 0.418 445 E N 0.491 120.690 120.200 -0.001 0.000 2.409 445 E HA -0.175 4.172 4.350 -0.005 0.000 0.198 445 E C 1.809 178.276 176.600 -0.221 0.000 1.024 445 E CA 1.096 57.432 56.400 -0.107 0.000 0.861 445 E CB -0.287 29.359 29.700 -0.090 0.000 0.788 445 E HN 0.452 nan 8.360 nan 0.000 0.521 446 F N 0.749 120.611 119.950 -0.147 0.000 2.374 446 F HA 0.030 4.554 4.527 -0.005 0.000 0.291 446 F C 2.229 177.859 175.800 -0.282 0.000 1.084 446 F CA 0.318 58.203 58.000 -0.192 0.000 1.413 446 F CB 0.133 39.055 39.000 -0.130 0.000 1.099 446 F HN -0.138 nan 8.300 nan 0.000 0.534 447 V N -0.902 118.928 119.914 -0.140 0.000 2.358 447 V HA -0.259 3.858 4.120 -0.005 0.000 0.246 447 V C 1.561 177.504 176.094 -0.252 0.000 1.047 447 V CA 1.593 63.684 62.300 -0.348 0.000 1.035 447 V CB -0.609 31.065 31.823 -0.248 0.000 0.658 447 V HN 0.183 nan 8.190 nan 0.000 0.452 448 F N 0.698 120.507 119.950 -0.236 0.000 2.731 448 F HA 0.396 4.921 4.527 -0.004 0.000 0.304 448 F C 1.846 177.526 175.800 -0.201 0.000 1.133 448 F CA 0.546 58.425 58.000 -0.203 0.000 1.380 448 F CB -0.462 38.386 39.000 -0.253 0.000 1.079 448 F HN 0.265 nan 8.300 nan 0.000 0.550 449 G N 0.288 108.995 108.800 -0.155 0.000 2.166 449 G HA2 -0.343 3.614 3.960 -0.005 0.000 0.260 449 G HA3 -0.343 3.614 3.960 -0.005 0.000 0.260 449 G C 1.355 175.936 174.900 -0.531 0.000 0.986 449 G CA 0.642 45.578 45.100 -0.274 0.000 0.683 449 G HN 0.438 nan 8.290 nan 0.000 0.527 450 L N 0.432 121.321 121.223 -0.557 0.000 2.021 450 L HA -0.132 4.205 4.340 -0.005 0.000 0.215 450 L C 0.441 176.832 176.870 -0.799 0.000 1.074 450 L CA 2.269 56.702 54.840 -0.679 0.000 0.760 450 L CB -1.699 40.092 42.059 -0.447 0.000 0.889 450 L HN 0.243 nan 8.230 nan 0.000 0.433 451 P HA -0.169 nan 4.420 nan 0.000 0.227 451 P C 1.604 178.531 177.300 -0.622 0.000 1.145 451 P CA 1.338 63.600 63.100 -1.397 0.000 0.769 451 P CB -0.104 30.697 31.700 -1.499 0.000 0.769 452 L N -1.626 119.302 121.223 -0.492 0.000 2.418 452 L HA 0.040 4.378 4.340 -0.005 0.000 0.218 452 L C 0.843 177.581 176.870 -0.220 0.000 1.125 452 L CA 0.254 54.923 54.840 -0.284 0.000 0.835 452 L CB -0.310 41.619 42.059 -0.215 0.000 0.953 452 L HN -0.234 nan 8.230 nan 0.000 0.454 453 V N 1.109 120.844 119.914 -0.299 0.000 2.370 453 V HA 0.045 4.162 4.120 -0.005 0.000 0.257 453 V C 1.201 177.246 176.094 -0.082 0.000 1.064 453 V CA -0.167 62.026 62.300 -0.178 0.000 0.975 453 V CB 0.891 32.574 31.823 -0.234 0.000 1.067 453 V HN 0.182 nan 8.190 nan 0.000 0.485 454 K N 3.250 123.626 120.400 -0.041 0.000 2.127 454 K HA -0.213 4.104 4.320 -0.005 0.000 0.208 454 K C 1.750 178.351 176.600 0.001 0.000 1.047 454 K CA 1.604 57.885 56.287 -0.010 0.000 0.927 454 K CB -0.143 32.353 32.500 -0.006 0.000 0.716 454 K HN 0.707 nan 8.250 nan 0.000 0.450 455 E N -0.111 120.084 120.200 -0.008 0.000 2.401 455 E HA -0.088 4.259 4.350 -0.005 0.000 0.199 455 E C 1.236 177.833 176.600 -0.005 0.000 1.023 455 E CA 0.567 56.963 56.400 -0.008 0.000 0.859 455 E CB -0.031 29.662 29.700 -0.011 0.000 0.780 455 E HN 0.249 nan 8.360 nan 0.000 0.523 456 L N 0.288 121.523 121.223 0.020 0.000 2.509 456 L HA 0.061 4.398 4.340 -0.005 0.000 0.222 456 L C -0.046 176.844 176.870 0.033 0.000 1.123 456 L CA -0.054 54.820 54.840 0.056 0.000 0.856 456 L CB -0.204 41.957 42.059 0.171 0.000 0.985 456 L HN 0.153 nan 8.230 nan 0.000 0.456 457 N N -1.053 117.672 118.700 0.042 0.000 2.783 457 N HA -0.210 4.527 4.740 -0.005 0.000 0.247 457 N C -0.628 174.865 175.510 -0.029 0.000 1.089 457 N CA 0.781 53.827 53.050 -0.007 0.000 0.690 457 N CB -1.729 36.722 38.487 -0.060 0.000 0.991 457 N HN 0.280 nan 8.380 nan 0.000 0.552 458 Y N 0.449 120.720 120.300 -0.048 0.000 2.408 458 Y HA 0.440 4.987 4.550 -0.004 0.000 0.324 458 Y C 1.778 177.675 175.900 -0.005 0.000 1.302 458 Y CA -0.072 58.011 58.100 -0.029 0.000 1.384 458 Y CB 0.579 38.988 38.460 -0.085 0.000 1.367 458 Y HN 0.108 nan 8.280 nan 0.000 0.525 459 T N -2.117 112.568 114.554 0.218 0.000 2.927 459 T HA 0.546 4.893 4.350 -0.005 0.000 0.281 459 T C 1.045 175.803 174.700 0.097 0.000 0.998 459 T CA -0.285 61.893 62.100 0.129 0.000 1.019 459 T CB 1.418 70.363 68.868 0.129 0.000 1.061 459 T HN 0.746 nan 8.240 nan 0.000 0.518 460 A N 0.982 123.838 122.820 0.060 0.000 1.892 460 A HA -0.096 4.221 4.320 -0.005 0.000 0.218 460 A C 2.094 179.696 177.584 0.030 0.000 1.188 460 A CA 1.928 53.985 52.037 0.033 0.000 0.631 460 A CB -1.211 17.805 19.000 0.025 0.000 0.822 460 A HN 0.932 nan 8.150 nan 0.000 0.447 461 E N -0.007 120.218 120.200 0.041 0.000 2.265 461 E HA -0.125 4.222 4.350 -0.005 0.000 0.196 461 E C 1.818 178.436 176.600 0.029 0.000 0.996 461 E CA 1.238 57.654 56.400 0.025 0.000 0.832 461 E CB -0.152 29.562 29.700 0.024 0.000 0.756 461 E HN 0.779 nan 8.360 nan 0.000 0.491 462 E N 0.219 120.468 120.200 0.082 0.000 2.216 462 E HA -0.140 4.207 4.350 -0.005 0.000 0.192 462 E C 1.883 178.509 176.600 0.043 0.000 0.988 462 E CA 0.560 57.053 56.400 0.156 0.000 0.834 462 E CB 0.078 29.968 29.700 0.318 0.000 0.772 462 E HN 0.320 nan 8.360 nan 0.000 0.479 463 E N 1.008 121.191 120.200 -0.030 0.000 2.106 463 E HA -0.159 4.188 4.350 -0.005 0.000 0.192 463 E C 2.005 178.568 176.600 -0.061 0.000 0.984 463 E CA 0.892 57.231 56.400 -0.102 0.000 0.806 463 E CB -0.006 29.644 29.700 -0.082 0.000 0.750 463 E HN 0.182 nan 8.360 nan 0.000 0.458 464 A N 1.141 123.945 122.820 -0.027 0.000 1.933 464 A HA -0.141 4.176 4.320 -0.005 0.000 0.218 464 A C 2.108 179.679 177.584 -0.022 0.000 1.175 464 A CA 1.111 53.129 52.037 -0.031 0.000 0.628 464 A CB -0.526 18.460 19.000 -0.022 0.000 0.814 464 A HN 0.383 nan 8.150 nan 0.000 0.444 465 L N -0.391 120.849 121.223 0.028 0.000 2.056 465 L HA -0.040 4.297 4.340 -0.005 0.000 0.207 465 L C 2.581 179.522 176.870 0.118 0.000 1.078 465 L CA 2.442 57.320 54.840 0.063 0.000 0.749 465 L CB -0.725 41.376 42.059 0.069 0.000 0.901 465 L HN 0.338 nan 8.230 nan 0.000 0.433 466 S N -0.873 114.921 115.700 0.156 0.000 2.402 466 S HA -0.140 4.327 4.470 -0.005 0.000 0.229 466 S C 2.159 176.717 174.600 -0.071 0.000 1.021 466 S CA 0.931 59.161 58.200 0.050 0.000 0.974 466 S CB -0.178 62.921 63.200 -0.167 0.000 0.800 466 S HN 0.510 nan 8.310 nan 0.000 0.484 467 R N 0.212 120.666 120.500 -0.078 0.000 2.092 467 R HA 0.104 4.442 4.340 -0.005 0.000 0.231 467 R C 2.667 178.898 176.300 -0.115 0.000 1.119 467 R CA 1.188 57.233 56.100 -0.091 0.000 0.970 467 R CB -0.210 30.036 30.300 -0.091 0.000 0.864 467 R HN 0.354 nan 8.270 nan 0.000 0.440 468 R N 0.258 120.664 120.500 -0.157 0.000 2.115 468 R HA 0.020 4.357 4.340 -0.005 0.000 0.226 468 R C 2.173 178.201 176.300 -0.453 0.000 1.100 468 R CA 1.029 56.928 56.100 -0.336 0.000 0.980 468 R CB -0.066 30.068 30.300 -0.276 0.000 0.875 468 R HN 0.208 nan 8.270 nan 0.000 0.445 469 I N 0.075 120.526 120.570 -0.199 0.000 2.406 469 I HA -0.205 3.962 4.170 -0.005 0.000 0.249 469 I C 2.276 178.280 176.117 -0.188 0.000 1.122 469 I CA 1.007 62.198 61.300 -0.182 0.000 1.431 469 I CB -0.066 37.721 38.000 -0.355 0.000 1.087 469 I HN 0.186 nan 8.210 nan 0.000 0.424 470 M N -0.294 119.213 119.600 -0.155 0.000 2.117 470 M HA -0.257 4.220 4.480 -0.005 0.000 0.262 470 M C 2.461 178.821 176.300 0.100 0.000 1.065 470 M CA 1.827 57.083 55.300 -0.074 0.000 1.114 470 M CB -0.634 31.921 32.600 -0.075 0.000 1.361 470 M HN 0.261 nan 8.290 nan 0.000 0.408 471 H N -0.268 118.784 119.070 -0.030 0.000 2.321 471 H HA -0.190 4.363 4.556 -0.005 0.000 0.300 471 H C 1.609 177.056 175.328 0.198 0.000 1.087 471 H CA 2.163 58.221 56.048 0.016 0.000 1.319 471 H CB -0.123 29.583 29.762 -0.093 0.000 1.379 471 H HN 0.284 nan 8.280 nan 0.000 0.501 472 Y N -0.728 119.738 120.300 0.275 0.000 2.165 472 Y HA -0.258 4.289 4.550 -0.005 0.000 0.286 472 Y C 2.614 178.685 175.900 0.284 0.000 1.155 472 Y CA 0.909 59.182 58.100 0.288 0.000 1.164 472 Y CB -1.133 37.696 38.460 0.615 0.000 0.978 472 Y HN 0.393 nan 8.280 nan 0.000 0.513 473 W N -0.461 120.930 121.300 0.152 0.000 2.354 473 W HA -0.223 4.434 4.660 -0.004 0.000 0.315 473 W C 2.601 179.125 176.519 0.008 0.000 1.206 473 W CA 1.206 58.592 57.345 0.069 0.000 1.290 473 W CB -0.529 28.954 29.460 0.039 0.000 1.152 473 W HN 0.059 nan 8.180 nan 0.000 0.489 474 A N 0.163 123.091 122.820 0.180 0.000 1.873 474 A HA -0.164 4.153 4.320 -0.005 0.000 0.215 474 A C 1.818 179.377 177.584 -0.041 0.000 1.186 474 A CA 2.309 54.359 52.037 0.022 0.000 0.616 474 A CB -1.312 17.690 19.000 0.002 0.000 0.823 474 A HN 0.196 nan 8.150 nan 0.000 0.442 475 T N -0.667 113.823 114.554 -0.107 0.000 2.759 475 T HA -0.148 4.199 4.350 -0.005 0.000 0.269 475 T C 1.583 176.228 174.700 -0.092 0.000 1.042 475 T CA 1.631 63.637 62.100 -0.158 0.000 1.140 475 T CB -0.384 68.307 68.868 -0.294 0.000 0.864 475 T HN 0.480 nan 8.240 nan 0.000 0.455 476 F N 2.083 121.921 119.950 -0.186 0.000 2.186 476 F HA 0.117 4.641 4.527 -0.005 0.000 0.299 476 F C 2.392 178.091 175.800 -0.168 0.000 1.090 476 F CA 0.753 58.611 58.000 -0.237 0.000 1.307 476 F CB -0.613 38.186 39.000 -0.335 0.000 1.019 476 F HN 0.132 nan 8.300 nan 0.000 0.489 477 A N 0.600 123.327 122.820 -0.155 0.000 1.902 477 A HA -0.173 4.144 4.320 -0.005 0.000 0.217 477 A C 2.211 179.663 177.584 -0.221 0.000 1.181 477 A CA 1.911 53.823 52.037 -0.208 0.000 0.623 477 A CB -0.539 18.392 19.000 -0.115 0.000 0.818 477 A HN 0.487 nan 8.150 nan 0.000 0.443 478 K N -1.231 119.068 120.400 -0.168 0.000 1.991 478 K HA -0.013 4.304 4.320 -0.005 0.000 0.208 478 K C 2.120 178.623 176.600 -0.161 0.000 1.038 478 K CA 1.575 57.782 56.287 -0.134 0.000 0.943 478 K CB -0.776 31.669 32.500 -0.092 0.000 0.736 478 K HN 0.314 nan 8.250 nan 0.000 0.440 479 T N -0.238 114.220 114.554 -0.160 0.000 2.746 479 T HA -0.069 4.279 4.350 -0.005 0.000 0.267 479 T C 1.370 175.946 174.700 -0.207 0.000 1.039 479 T CA 1.575 63.587 62.100 -0.146 0.000 1.142 479 T CB -0.436 68.366 68.868 -0.110 0.000 0.866 479 T HN 0.658 nan 8.240 nan 0.000 0.444 480 G N 1.728 110.296 108.800 -0.386 0.000 2.141 480 G HA2 -0.213 3.744 3.960 -0.005 0.000 0.231 480 G HA3 -0.213 3.744 3.960 -0.005 0.000 0.231 480 G C -0.041 174.685 174.900 -0.290 0.000 0.984 480 G CA 0.091 44.864 45.100 -0.546 0.000 0.660 480 G HN 0.680 nan 8.290 nan 0.000 0.525 481 N N -0.353 118.232 118.700 -0.191 0.000 2.425 481 N HA 0.457 5.194 4.740 -0.005 0.000 0.289 481 N C -1.975 173.395 175.510 -0.234 0.000 1.074 481 N CA -1.502 51.443 53.050 -0.175 0.000 0.905 481 N CB 2.110 40.568 38.487 -0.047 0.000 1.586 481 N HN -0.129 nan 8.380 nan 0.000 0.490 482 P HA -0.034 nan 4.420 nan 0.000 0.217 482 P C -0.350 176.906 177.300 -0.075 0.000 1.150 482 P CA 1.020 63.913 63.100 -0.345 0.000 0.832 482 P CB 0.169 31.322 31.700 -0.912 0.000 0.787 483 N N 1.310 119.948 118.700 -0.102 0.000 2.470 483 N HA 0.064 4.801 4.740 -0.005 0.000 0.268 483 N C -0.085 175.473 175.510 0.079 0.000 1.136 483 N CA 0.166 53.261 53.050 0.075 0.000 0.961 483 N CB 0.339 38.884 38.487 0.096 0.000 1.067 483 N HN 0.129 nan 8.380 nan 0.000 0.468 484 E N 2.344 122.630 120.200 0.142 0.000 2.344 484 E HA 0.205 4.552 4.350 -0.005 0.000 0.270 484 E C -2.098 174.560 176.600 0.097 0.000 1.021 484 E CA -1.088 55.385 56.400 0.123 0.000 0.887 484 E CB 0.117 29.932 29.700 0.192 0.000 0.997 484 E HN 0.321 nan 8.360 nan 0.000 0.429 485 P HA 0.149 nan 4.420 nan 0.000 0.280 485 P C -0.500 176.834 177.300 0.058 0.000 1.244 485 P CA 0.368 63.502 63.100 0.058 0.000 0.784 485 P CB 0.412 32.137 31.700 0.041 0.000 0.913 486 H N -0.832 118.272 119.070 0.056 0.000 2.506 486 H HA 0.147 4.700 4.556 -0.005 0.000 0.323 486 H C 0.264 175.624 175.328 0.053 0.000 1.076 486 H CA 0.675 56.753 56.048 0.049 0.000 1.108 486 H CB -2.455 27.329 29.762 0.038 0.000 1.569 486 H HN 0.884 nan 8.280 nan 0.000 0.399 487 S N -0.567 115.173 115.700 0.066 0.000 2.583 487 S HA 0.980 5.447 4.470 -0.005 0.000 0.294 487 S C 0.265 174.916 174.600 0.086 0.000 1.121 487 S CA 1.333 59.575 58.200 0.069 0.000 0.910 487 S CB -0.217 63.029 63.200 0.076 0.000 1.102 487 S HN 2.951 nan 8.310 nan 0.000 0.451 488 Q N -1.203 118.640 119.800 0.071 0.000 0.379 488 Q HA 0.360 4.697 4.340 -0.005 0.000 0.282 488 Q C 0.590 176.640 176.000 0.084 0.000 1.088 488 Q CA 2.564 58.414 55.803 0.079 0.000 0.282 488 Q CB -2.216 26.588 28.738 0.110 0.000 5.562 488 Q HN 2.701 nan 8.270 nan 0.000 0.303 489 E N -1.639 118.615 120.200 0.090 0.000 2.399 489 E HA 0.667 5.014 4.350 -0.005 0.000 0.206 489 E C 1.670 178.333 176.600 0.106 0.000 0.812 489 E CA 1.532 57.983 56.400 0.085 0.000 1.138 489 E CB -0.229 29.509 29.700 0.064 0.000 1.140 489 E HN 2.524 nan 8.360 nan 0.000 0.536 490 S N 0.833 116.611 115.700 0.130 0.000 2.555 490 S HA 0.503 4.970 4.470 -0.005 0.000 0.293 490 S C 0.440 175.155 174.600 0.193 0.000 1.248 490 S CA 0.602 58.897 58.200 0.158 0.000 1.096 490 S CB -0.744 62.576 63.200 0.199 0.000 0.881 490 S HN 0.932 nan 8.310 nan 0.000 0.498 491 K N 3.862 124.364 120.400 0.169 0.000 2.404 491 K HA 0.384 4.701 4.320 -0.005 0.000 0.257 491 K C -0.677 176.078 176.600 0.259 0.000 1.026 491 K CA -0.739 55.667 56.287 0.198 0.000 0.951 491 K CB 0.342 32.932 32.500 0.151 0.000 1.203 491 K HN 0.850 nan 8.250 nan 0.000 0.446 492 W N 6.420 127.760 121.300 0.067 0.000 2.659 492 W HA 0.286 4.943 4.660 -0.005 0.000 0.342 492 W C -2.651 173.990 176.519 0.205 0.000 1.287 492 W CA -2.473 54.917 57.345 0.074 0.000 1.460 492 W CB 0.059 29.465 29.460 -0.091 0.000 1.503 492 W HN 0.425 nan 8.180 nan 0.000 0.483 493 P HA -0.093 nan 4.420 nan 0.000 0.262 493 P C -0.211 177.332 177.300 0.405 0.000 1.182 493 P CA 0.027 63.361 63.100 0.391 0.000 0.761 493 P CB 0.443 32.281 31.700 0.229 0.000 0.795 494 L N 5.694 127.001 121.223 0.141 0.000 2.477 494 L HA 0.244 4.581 4.340 -0.005 0.000 0.272 494 L C -0.231 176.580 176.870 -0.097 0.000 1.157 494 L CA -0.248 54.414 54.840 -0.298 0.000 0.889 494 L CB -0.538 41.365 42.059 -0.261 0.000 1.158 494 L HN 0.170 nan 8.230 nan 0.000 0.473 495 F N 5.234 125.072 119.950 -0.187 0.000 2.578 495 F HA 0.378 4.902 4.527 -0.005 0.000 0.376 495 F C 0.385 176.161 175.800 -0.040 0.000 1.085 495 F CA 0.454 58.447 58.000 -0.010 0.000 1.260 495 F CB 0.417 39.452 39.000 0.059 0.000 1.095 495 F HN 0.708 nan 8.300 nan 0.000 0.573 496 T N 0.895 114.900 114.554 -0.914 0.000 2.893 496 T HA 0.263 4.610 4.350 -0.005 0.000 0.293 496 T C 0.819 174.993 174.700 -0.878 0.000 1.027 496 T CA -0.131 61.603 62.100 -0.609 0.000 0.988 496 T CB 1.312 69.996 68.868 -0.308 0.000 1.043 496 T HN 0.675 nan 8.240 nan 0.000 0.461 497 T N 0.057 114.389 114.554 -0.371 0.000 2.946 497 T HA -0.079 4.268 4.350 -0.005 0.000 0.271 497 T C 1.348 175.957 174.700 -0.152 0.000 1.104 497 T CA 0.849 62.854 62.100 -0.159 0.000 1.114 497 T CB -0.394 68.474 68.868 -0.001 0.000 0.867 497 T HN 0.704 nan 8.240 nan 0.000 0.513 498 K N 1.321 121.612 120.400 -0.182 0.000 2.019 498 K HA 0.076 4.393 4.320 -0.005 0.000 0.209 498 K C 2.493 179.025 176.600 -0.113 0.000 1.032 498 K CA 1.301 57.520 56.287 -0.114 0.000 0.947 498 K CB -0.065 32.378 32.500 -0.095 0.000 0.757 498 K HN 0.360 nan 8.250 nan 0.000 0.444 499 E N 1.084 121.197 120.200 -0.145 0.000 2.285 499 E HA -0.049 4.298 4.350 -0.005 0.000 0.194 499 E C -0.356 176.177 176.600 -0.112 0.000 0.997 499 E CA 0.071 56.409 56.400 -0.103 0.000 0.845 499 E CB 0.191 29.839 29.700 -0.087 0.000 0.782 499 E HN 0.178 nan 8.360 nan 0.000 0.491 500 Q N 0.720 120.345 119.800 -0.293 0.000 2.435 500 Q HA -0.218 4.120 4.340 -0.005 0.000 0.312 500 Q C -0.809 175.249 176.000 0.097 0.000 1.333 500 Q CA 0.632 56.254 55.803 -0.302 0.000 0.883 500 Q CB -1.459 27.324 28.738 0.075 0.000 1.170 500 Q HN 0.305 nan 8.270 nan 0.000 0.443 501 K N 0.589 121.008 120.400 0.032 0.000 2.237 501 K HA 0.546 4.863 4.320 -0.005 0.000 0.270 501 K C 0.099 176.970 176.600 0.451 0.000 1.015 501 K CA 0.205 56.594 56.287 0.170 0.000 0.949 501 K CB 0.471 33.011 32.500 0.067 0.000 0.976 501 K HN 0.229 nan 8.250 nan 0.000 0.472 502 F N 0.078 120.192 119.950 0.273 0.000 2.789 502 F HA 0.643 5.167 4.527 -0.005 0.000 0.319 502 F C -1.356 174.532 175.800 0.147 0.000 1.168 502 F CA -1.474 56.706 58.000 0.300 0.000 0.934 502 F CB 0.812 39.993 39.000 0.302 0.000 1.375 502 F HN 0.442 nan 8.300 nan 0.000 0.480 503 I N -0.826 119.844 120.570 0.166 0.000 2.969 503 I HA 0.651 4.818 4.170 -0.005 0.000 0.307 503 I C -1.430 174.870 176.117 0.304 0.000 1.149 503 I CA -0.863 60.395 61.300 -0.070 0.000 1.008 503 I CB 2.183 39.922 38.000 -0.434 0.000 1.232 503 I HN 0.461 nan 8.210 nan 0.000 0.435 504 D N 3.535 124.118 120.400 0.305 0.000 2.329 504 D HA 0.535 5.173 4.640 -0.005 0.000 0.246 504 D C -0.656 175.759 176.300 0.191 0.000 1.111 504 D CA 0.142 54.374 54.000 0.386 0.000 0.941 504 D CB 1.974 42.990 40.800 0.360 0.000 1.169 504 D HN 0.471 nan 8.370 nan 0.000 0.441 505 L N 2.448 123.770 121.223 0.166 0.000 2.417 505 L HA 0.308 4.646 4.340 -0.005 0.000 0.259 505 L C -0.545 176.204 176.870 -0.202 0.000 1.023 505 L CA -0.561 54.319 54.840 0.067 0.000 0.901 505 L CB 0.178 42.395 42.059 0.263 0.000 1.227 505 L HN 0.435 nan 8.230 nan 0.000 0.454 506 N N -1.375 117.240 118.700 -0.141 0.000 2.902 506 N HA 0.312 5.050 4.740 -0.005 0.000 0.268 506 N C 0.310 175.716 175.510 -0.173 0.000 1.450 506 N CA -0.698 52.226 53.050 -0.210 0.000 0.819 506 N CB 0.900 39.343 38.487 -0.072 0.000 1.540 506 N HN 0.077 nan 8.380 nan 0.000 0.545 507 T N -3.152 111.264 114.554 -0.229 0.000 3.380 507 T HA 0.194 4.541 4.350 -0.005 0.000 0.250 507 T C -0.224 174.451 174.700 -0.042 0.000 1.082 507 T CA 0.122 62.124 62.100 -0.162 0.000 0.968 507 T CB -0.632 68.100 68.868 -0.226 0.000 1.027 507 T HN 0.396 nan 8.240 nan 0.000 0.575 508 E N 1.339 121.532 120.200 -0.012 0.000 2.339 508 E HA 0.481 4.828 4.350 -0.005 0.000 0.262 508 E C -2.666 173.948 176.600 0.024 0.000 0.934 508 E CA -2.548 53.863 56.400 0.018 0.000 0.802 508 E CB 0.834 30.557 29.700 0.037 0.000 1.275 508 E HN 0.058 nan 8.360 nan 0.000 0.427 509 P HA -0.081 nan 4.420 nan 0.000 0.266 509 P C 0.086 177.403 177.300 0.028 0.000 1.180 509 P CA 0.352 63.469 63.100 0.028 0.000 0.765 509 P CB 0.354 32.067 31.700 0.021 0.000 0.806 510 M N 3.312 122.933 119.600 0.036 0.000 2.720 510 M HA -0.035 4.442 4.480 -0.005 0.000 0.328 510 M C -0.140 176.141 176.300 -0.031 0.000 1.682 510 M CA 0.980 56.296 55.300 0.026 0.000 1.381 510 M CB -1.248 31.390 32.600 0.064 0.000 1.868 510 M HN 0.205 nan 8.290 nan 0.000 0.459 511 K N 3.421 123.787 120.400 -0.056 0.000 2.263 511 K HA 0.416 4.733 4.320 -0.005 0.000 0.272 511 K C -0.742 175.658 176.600 -0.333 0.000 1.033 511 K CA -0.543 55.634 56.287 -0.184 0.000 0.884 511 K CB 1.529 33.947 32.500 -0.137 0.000 1.107 511 K HN 0.353 nan 8.250 nan 0.000 0.460 512 V N 5.482 125.171 119.914 -0.376 0.000 2.389 512 V HA 0.101 4.218 4.120 -0.005 0.000 0.264 512 V C 0.382 176.112 176.094 -0.606 0.000 1.049 512 V CA -0.400 61.666 62.300 -0.389 0.000 0.932 512 V CB -0.052 31.653 31.823 -0.197 0.000 1.011 512 V HN 0.714 nan 8.190 nan 0.000 0.475 513 H N 3.763 122.416 119.070 -0.694 0.000 2.669 513 H HA 0.659 5.212 4.556 -0.005 0.000 0.318 513 H C -0.684 174.256 175.328 -0.646 0.000 1.429 513 H CA -0.753 54.856 56.048 -0.731 0.000 1.460 513 H CB 1.754 30.957 29.762 -0.932 0.000 1.784 513 H HN 0.549 nan 8.280 nan 0.000 0.750 514 Q N 0.161 119.916 119.800 -0.076 0.000 2.379 514 Q HA 0.314 4.651 4.340 -0.005 0.000 0.278 514 Q C -0.863 175.354 176.000 0.362 0.000 1.068 514 Q CA -0.879 55.024 55.803 0.167 0.000 0.816 514 Q CB 2.978 31.763 28.738 0.077 0.000 1.387 514 Q HN 0.505 nan 8.270 nan 0.000 0.413 515 R N 0.828 121.569 120.500 0.402 0.000 2.873 515 R HA -0.198 4.139 4.340 -0.005 0.000 0.281 515 R C -0.808 175.636 176.300 0.240 0.000 0.933 515 R CA -0.145 56.129 56.100 0.290 0.000 0.712 515 R CB -1.386 29.024 30.300 0.184 0.000 1.780 515 R HN 0.446 nan 8.270 nan 0.000 0.488 516 L N 3.220 124.507 121.223 0.107 0.000 2.485 516 L HA 0.101 4.438 4.340 -0.005 0.000 0.279 516 L C 0.686 177.502 176.870 -0.090 0.000 1.124 516 L CA 0.487 55.184 54.840 -0.238 0.000 0.888 516 L CB -0.089 41.563 42.059 -0.677 0.000 1.217 516 L HN 0.485 nan 8.230 nan 0.000 0.464 517 R N 2.642 123.112 120.500 -0.050 0.000 3.267 517 R HA -0.167 4.170 4.340 -0.005 0.000 0.254 517 R C 0.864 177.230 176.300 0.110 0.000 0.993 517 R CA 0.536 56.666 56.100 0.050 0.000 0.670 517 R CB -2.064 28.289 30.300 0.089 0.000 1.125 517 R HN 0.591 nan 8.270 nan 0.000 0.434 518 V N 0.210 120.186 119.914 0.104 0.000 2.379 518 V HA -0.267 3.850 4.120 -0.005 0.000 0.245 518 V C 2.622 178.792 176.094 0.127 0.000 1.044 518 V CA 2.267 64.641 62.300 0.123 0.000 1.036 518 V CB -0.254 31.639 31.823 0.116 0.000 0.664 518 V HN 0.510 nan 8.190 nan 0.000 0.453 519 Q N -0.885 118.974 119.800 0.099 0.000 2.050 519 Q HA -0.228 4.109 4.340 -0.005 0.000 0.202 519 Q C 2.288 178.361 176.000 0.123 0.000 0.980 519 Q CA 1.702 57.551 55.803 0.077 0.000 0.840 519 Q CB -0.042 28.711 28.738 0.025 0.000 0.898 519 Q HN 0.403 nan 8.270 nan 0.000 0.424 520 M N -0.628 119.073 119.600 0.168 0.000 2.200 520 M HA -0.115 4.363 4.480 -0.005 0.000 0.265 520 M C 2.184 178.773 176.300 0.480 0.000 1.066 520 M CA 0.808 56.295 55.300 0.312 0.000 1.127 520 M CB -0.897 31.934 32.600 0.386 0.000 1.379 520 M HN 0.346 nan 8.290 nan 0.000 0.420 521 c N -0.498 118.318 118.600 0.360 0.000 2.539 521 c HA 0.056 4.623 4.570 -0.005 0.000 0.268 521 c C 2.826 177.078 174.090 0.270 0.000 1.395 521 c CA 0.022 56.560 56.329 0.348 0.000 1.757 521 c CB -0.806 41.850 42.510 0.242 0.000 1.851 521 c HN 0.287 nan 8.230 nan 0.000 0.545 522 V N 0.377 120.430 119.914 0.232 0.000 2.535 522 V HA -0.124 3.993 4.120 -0.005 0.000 0.246 522 V C 2.031 178.258 176.094 0.221 0.000 1.045 522 V CA 1.743 64.158 62.300 0.193 0.000 1.058 522 V CB -0.684 31.230 31.823 0.152 0.000 0.689 522 V HN 0.536 nan 8.190 nan 0.000 0.461 523 F N 0.154 120.163 119.950 0.097 0.000 2.075 523 F HA -0.160 4.364 4.527 -0.005 0.000 0.297 523 F C 1.959 177.803 175.800 0.073 0.000 1.113 523 F CA 1.498 59.520 58.000 0.036 0.000 1.218 523 F CB -0.594 38.307 39.000 -0.165 0.000 0.984 523 F HN 0.174 nan 8.300 nan 0.000 0.472 524 W N 0.702 121.868 121.300 -0.222 0.000 2.379 524 W HA -0.150 4.507 4.660 -0.005 0.000 0.307 524 W C 2.428 178.846 176.519 -0.169 0.000 1.200 524 W CA 1.055 58.223 57.345 -0.295 0.000 1.297 524 W CB -0.659 28.786 29.460 -0.026 0.000 1.140 524 W HN -0.022 nan 8.180 nan 0.000 0.507 525 N N -0.023 118.779 118.700 0.171 0.000 2.092 525 N HA -0.116 4.621 4.740 -0.005 0.000 0.189 525 N C 1.583 177.098 175.510 0.009 0.000 1.040 525 N CA 1.621 54.698 53.050 0.045 0.000 0.845 525 N CB -0.771 37.763 38.487 0.077 0.000 1.017 525 N HN 0.294 nan 8.380 nan 0.000 0.426 526 Q N -0.747 119.096 119.800 0.072 0.000 2.159 526 Q HA 0.132 4.469 4.340 -0.005 0.000 0.194 526 Q C 1.723 177.773 176.000 0.083 0.000 0.968 526 Q CA 0.454 56.304 55.803 0.080 0.000 0.837 526 Q CB -0.260 28.553 28.738 0.125 0.000 0.920 526 Q HN 0.203 nan 8.270 nan 0.000 0.485 527 F N 1.471 121.416 119.950 -0.007 0.000 2.031 527 F HA -0.233 4.291 4.527 -0.005 0.000 0.295 527 F C 1.962 177.737 175.800 -0.042 0.000 1.133 527 F CA 1.106 59.110 58.000 0.006 0.000 1.188 527 F CB -0.449 38.606 39.000 0.092 0.000 0.974 527 F HN 0.063 nan 8.300 nan 0.000 0.473 528 L N 1.122 122.215 121.223 -0.217 0.000 2.013 528 L HA -0.138 4.199 4.340 -0.005 0.000 0.212 528 L C -0.816 175.906 176.870 -0.246 0.000 1.073 528 L CA 2.284 56.928 54.840 -0.328 0.000 0.753 528 L CB -2.011 39.745 42.059 -0.504 0.000 0.890 528 L HN 0.028 nan 8.230 nan 0.000 0.432 529 P HA -0.190 nan 4.420 nan 0.000 0.216 529 P C 1.455 178.672 177.300 -0.138 0.000 1.150 529 P CA 1.686 64.723 63.100 -0.106 0.000 0.837 529 P CB -0.043 31.607 31.700 -0.083 0.000 0.786 530 K N -0.979 119.304 120.400 -0.195 0.000 2.057 530 K HA -0.136 4.181 4.320 -0.005 0.000 0.207 530 K C 1.978 178.426 176.600 -0.252 0.000 1.049 530 K CA 1.097 57.264 56.287 -0.200 0.000 0.931 530 K CB -0.976 31.401 32.500 -0.205 0.000 0.714 530 K HN 0.075 nan 8.250 nan 0.000 0.440 531 L N 1.727 122.697 121.223 -0.422 0.000 1.994 531 L HA -0.154 4.183 4.340 -0.005 0.000 0.208 531 L C 1.937 178.705 176.870 -0.169 0.000 1.071 531 L CA 1.580 56.207 54.840 -0.355 0.000 0.745 531 L CB -0.595 41.173 42.059 -0.485 0.000 0.892 531 L HN 0.124 nan 8.230 nan 0.000 0.431 532 L N -0.266 120.877 121.223 -0.134 0.000 2.127 532 L HA -0.227 4.111 4.340 -0.005 0.000 0.211 532 L C 2.050 178.893 176.870 -0.044 0.000 1.089 532 L CA 1.371 56.176 54.840 -0.058 0.000 0.757 532 L CB -0.667 41.381 42.059 -0.017 0.000 0.899 532 L HN 0.404 nan 8.230 nan 0.000 0.434 533 N N -0.263 118.401 118.700 -0.060 0.000 2.376 533 N HA -0.015 4.723 4.740 -0.005 0.000 0.177 533 N C 1.670 177.156 175.510 -0.039 0.000 1.024 533 N CA 1.021 54.046 53.050 -0.042 0.000 0.893 533 N CB -0.064 38.397 38.487 -0.043 0.000 0.980 533 N HN 0.213 nan 8.380 nan 0.000 0.439 534 A N -0.155 122.632 122.820 -0.055 0.000 2.206 534 A HA 0.084 4.401 4.320 -0.005 0.000 0.211 534 A C 1.037 178.603 177.584 -0.030 0.000 1.158 534 A CA 0.807 52.819 52.037 -0.041 0.000 0.761 534 A CB -0.502 18.466 19.000 -0.053 0.000 0.801 534 A HN 0.374 nan 8.150 nan 0.000 0.473 535 T N 0.000 114.536 114.554 -0.030 0.000 3.816 535 T HA 0.000 4.347 4.350 -0.005 0.000 0.228 535 T CA 0.000 62.090 62.100 -0.017 0.000 1.349 535 T CB 0.000 68.858 68.868 -0.017 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658