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 2wg1_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 0.000 174.650 174.600 0.084 0.000 1.055 4 S CA 0.000 58.233 58.200 0.055 0.000 1.107 4 S CB 0.000 63.230 63.200 0.051 0.000 0.593 5 E N 2.708 122.961 120.200 0.088 0.000 2.160 5 E HA -0.081 4.268 4.350 -0.001 0.000 0.195 5 E C 1.101 177.828 176.600 0.212 0.000 0.991 5 E CA 1.517 57.996 56.400 0.132 0.000 0.810 5 E CB -0.105 29.660 29.700 0.108 0.000 0.742 5 E HN 0.744 nan 8.360 nan 0.000 0.466 6 L N 0.745 122.060 121.223 0.152 0.000 2.591 6 L HA 0.155 4.495 4.340 -0.001 0.000 0.228 6 L C 0.107 177.159 176.870 0.302 0.000 1.133 6 L CA -0.394 54.531 54.840 0.140 0.000 0.880 6 L CB 0.293 42.336 42.059 -0.026 0.000 1.033 6 L HN 0.123 nan 8.230 nan 0.000 0.450 7 L N 0.533 121.915 121.223 0.264 0.000 2.313 7 L HA 0.573 4.913 4.340 -0.001 0.000 0.283 7 L C -0.721 176.238 176.870 0.148 0.000 1.013 7 L CA -0.370 54.609 54.840 0.231 0.000 0.816 7 L CB 1.797 43.934 42.059 0.130 0.000 1.236 7 L HN -0.320 nan 8.230 nan 0.000 0.419 8 V N 4.730 124.697 119.914 0.088 0.000 2.525 8 V HA 0.483 4.603 4.120 -0.001 0.000 0.299 8 V C -0.719 175.278 176.094 -0.162 0.000 1.034 8 V CA -0.929 61.255 62.300 -0.192 0.000 0.863 8 V CB 1.890 33.273 31.823 -0.733 0.000 0.999 8 V HN 0.722 nan 8.190 nan 0.000 0.423 9 N N 3.263 121.821 118.700 -0.236 0.000 2.430 9 N HA 0.425 5.165 4.740 -0.001 0.000 0.265 9 N C 0.236 175.404 175.510 -0.570 0.000 1.100 9 N CA -0.145 52.726 53.050 -0.299 0.000 0.961 9 N CB 1.710 40.011 38.487 -0.309 0.000 1.075 9 N HN 0.889 nan 8.380 nan 0.000 0.478 10 T N -1.801 112.504 114.554 -0.416 0.000 2.905 10 T HA 0.379 4.729 4.350 -0.001 0.000 0.283 10 T C 0.977 175.401 174.700 -0.460 0.000 1.031 10 T CA -0.754 61.060 62.100 -0.477 0.000 1.002 10 T CB 1.580 70.455 68.868 0.011 0.000 1.200 10 T HN 0.256 nan 8.240 nan 0.000 0.560 11 K N 0.224 120.413 120.400 -0.351 0.000 2.362 11 K HA 0.042 4.362 4.320 -0.001 0.000 0.200 11 K C 1.915 178.361 176.600 -0.258 0.000 1.046 11 K CA 0.902 57.035 56.287 -0.256 0.000 0.952 11 K CB -0.060 32.354 32.500 -0.143 0.000 0.753 11 K HN 0.425 nan 8.250 nan 0.000 0.466 12 S N -0.217 115.313 115.700 -0.283 0.000 2.535 12 S HA 0.202 4.671 4.470 -0.001 0.000 0.214 12 S C 0.482 174.335 174.600 -1.246 0.000 0.980 12 S CA 0.224 58.114 58.200 -0.517 0.000 0.907 12 S CB 0.909 63.990 63.200 -0.199 0.000 0.790 12 S HN 0.547 nan 8.310 nan 0.000 0.510 13 G N 1.203 109.486 108.800 -0.862 0.000 2.353 13 G HA2 0.070 4.030 3.960 -0.001 0.000 0.424 13 G HA3 0.070 4.030 3.960 -0.001 0.000 0.424 13 G C -1.718 173.096 174.900 -0.144 0.000 1.320 13 G CA -1.180 43.420 45.100 -0.833 0.000 0.995 13 G HN 0.110 nan 8.290 nan 0.000 0.580 14 K N -0.491 120.010 120.400 0.167 0.000 2.185 14 K HA 0.604 4.923 4.320 -0.001 0.000 0.271 14 K C 0.305 177.267 176.600 0.602 0.000 1.013 14 K CA -0.387 56.075 56.287 0.291 0.000 0.943 14 K CB 1.880 34.502 32.500 0.204 0.000 0.998 14 K HN 1.142 nan 8.250 nan 0.000 0.468 15 V N -0.272 119.932 119.914 0.483 0.000 2.735 15 V HA 0.605 4.725 4.120 -0.001 0.000 0.310 15 V C -0.825 175.564 176.094 0.491 0.000 1.061 15 V CA -1.164 61.479 62.300 0.572 0.000 0.913 15 V CB 1.717 33.933 31.823 0.655 0.000 1.005 15 V HN 0.864 nan 8.190 nan 0.000 0.428 16 M N 4.406 124.257 119.600 0.418 0.000 2.181 16 M HA 0.835 5.315 4.480 -0.001 0.000 0.323 16 M C 0.254 176.662 176.300 0.180 0.000 1.004 16 M CA 0.157 55.633 55.300 0.294 0.000 0.941 16 M CB 1.168 33.860 32.600 0.153 0.000 1.579 16 M HN 1.105 nan 8.290 nan 0.000 0.427 17 G N 1.523 110.287 108.800 -0.061 0.000 2.574 17 G HA2 0.627 4.587 3.960 -0.001 0.000 0.248 17 G HA3 0.627 4.587 3.960 -0.001 0.000 0.248 17 G C -1.105 173.581 174.900 -0.357 0.000 1.422 17 G CA -0.393 44.360 45.100 -0.579 0.000 1.051 17 G HN 0.655 nan 8.290 nan 0.000 0.560 18 T N -1.434 112.872 114.554 -0.413 0.000 2.956 18 T HA 0.466 4.815 4.350 -0.001 0.000 0.312 18 T C -0.763 173.821 174.700 -0.193 0.000 1.151 18 T CA -0.691 61.271 62.100 -0.231 0.000 1.024 18 T CB 1.365 70.123 68.868 -0.183 0.000 1.140 18 T HN 0.657 nan 8.240 nan 0.000 0.473 19 R N 3.294 123.730 120.500 -0.106 0.000 2.267 19 R HA 0.616 4.956 4.340 -0.001 0.000 0.319 19 R C -0.374 175.942 176.300 0.027 0.000 1.067 19 R CA -0.454 55.626 56.100 -0.034 0.000 0.936 19 R CB 0.280 30.553 30.300 -0.046 0.000 1.006 19 R HN 0.481 nan 8.270 nan 0.000 0.452 20 V N 2.584 122.540 119.914 0.071 0.000 2.628 20 V HA 0.689 4.809 4.120 -0.001 0.000 0.306 20 V C -2.555 173.570 176.094 0.053 0.000 1.045 20 V CA -2.786 59.549 62.300 0.058 0.000 0.905 20 V CB 1.630 33.470 31.823 0.028 0.000 0.997 20 V HN 0.781 nan 8.190 nan 0.000 0.436 21 P HA 0.425 nan 4.420 nan 0.000 0.274 21 P C -0.839 176.276 177.300 -0.308 0.000 1.231 21 P CA -0.138 62.743 63.100 -0.364 0.000 0.790 21 P CB 1.816 33.344 31.700 -0.285 0.000 0.951 22 V N 4.789 124.450 119.914 -0.423 0.000 2.737 22 V HA 0.164 4.284 4.120 -0.001 0.000 0.298 22 V C -0.160 175.662 176.094 -0.453 0.000 1.163 22 V CA -0.853 61.215 62.300 -0.387 0.000 0.925 22 V CB 0.817 32.370 31.823 -0.451 0.000 1.037 22 V HN 0.487 nan 8.190 nan 0.000 0.433 23 L N 5.762 126.862 121.223 -0.205 0.000 3.965 23 L HA -0.226 4.113 4.340 -0.001 0.000 0.476 23 L C 1.067 177.821 176.870 -0.193 0.000 1.201 23 L CA 1.037 55.789 54.840 -0.148 0.000 0.710 23 L CB -1.817 40.205 42.059 -0.061 0.000 1.509 23 L HN 1.126 nan 8.230 nan 0.000 0.815 24 S N -2.471 113.114 115.700 -0.192 0.000 3.382 24 S HA -0.213 4.257 4.470 -0.001 0.000 0.293 24 S C 0.442 174.938 174.600 -0.173 0.000 1.262 24 S CA 1.416 59.527 58.200 -0.148 0.000 0.969 24 S CB -0.621 62.545 63.200 -0.058 0.000 1.136 24 S HN 0.872 nan 8.310 nan 0.000 0.635 25 S N -0.595 114.901 115.700 -0.341 0.000 2.998 25 S HA 0.809 5.278 4.470 -0.001 0.000 0.323 25 S C -1.394 172.897 174.600 -0.514 0.000 1.141 25 S CA -0.628 57.414 58.200 -0.263 0.000 0.873 25 S CB 1.187 64.293 63.200 -0.157 0.000 1.315 25 S HN 0.442 nan 8.310 nan 0.000 0.637 26 H N 0.071 119.081 119.070 -0.099 0.000 3.012 26 H HA 0.629 5.185 4.556 -0.001 0.000 0.367 26 H C -0.740 174.608 175.328 0.032 0.000 1.211 26 H CA -0.342 55.675 56.048 -0.053 0.000 1.139 26 H CB 1.568 31.321 29.762 -0.015 0.000 1.838 26 H HN 0.776 nan 8.280 nan 0.000 0.550 27 I N -1.844 118.830 120.570 0.173 0.000 3.354 27 I HA 0.599 4.769 4.170 -0.001 0.000 0.316 27 I C -0.736 175.475 176.117 0.158 0.000 1.182 27 I CA -0.974 60.448 61.300 0.203 0.000 0.942 27 I CB 2.290 40.442 38.000 0.253 0.000 1.299 27 I HN 0.304 nan 8.210 nan 0.000 0.473 28 S N 1.213 117.013 115.700 0.166 0.000 2.541 28 S HA 0.832 5.301 4.470 -0.001 0.000 0.283 28 S C -0.304 174.306 174.600 0.016 0.000 1.196 28 S CA -0.576 57.649 58.200 0.041 0.000 1.062 28 S CB 1.510 64.762 63.200 0.087 0.000 1.009 28 S HN 0.877 nan 8.310 nan 0.000 0.502 29 A N 2.107 124.775 122.820 -0.253 0.000 2.356 29 A HA 0.784 5.103 4.320 -0.001 0.000 0.310 29 A C -1.316 175.948 177.584 -0.533 0.000 1.075 29 A CA -0.657 51.154 52.037 -0.378 0.000 0.746 29 A CB 0.426 19.181 19.000 -0.407 0.000 1.221 29 A HN 0.650 nan 8.150 nan 0.000 0.443 30 F N 2.726 122.532 119.950 -0.239 0.000 2.366 30 F HA 0.503 5.030 4.527 -0.001 0.000 0.366 30 F C -0.174 175.499 175.800 -0.212 0.000 1.096 30 F CA -0.381 57.558 58.000 -0.101 0.000 1.060 30 F CB 1.306 40.350 39.000 0.074 0.000 1.282 30 F HN 0.345 nan 8.300 nan 0.000 0.450 31 L N 2.187 123.370 121.223 -0.066 0.000 2.325 31 L HA 0.710 5.050 4.340 -0.001 0.000 0.278 31 L C 0.885 177.785 176.870 0.051 0.000 1.023 31 L CA -1.062 53.720 54.840 -0.097 0.000 0.811 31 L CB 1.734 43.652 42.059 -0.235 0.000 1.249 31 L HN 0.822 nan 8.230 nan 0.000 0.431 32 G N 3.063 111.919 108.800 0.093 0.000 2.272 32 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.280 32 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.280 32 G C -0.114 174.892 174.900 0.178 0.000 1.067 32 G CA -0.308 44.854 45.100 0.104 0.000 0.902 32 G HN 0.484 nan 8.290 nan 0.000 0.500 33 I N 2.075 122.668 120.570 0.039 0.000 2.452 33 I HA 0.211 4.381 4.170 -0.001 0.000 0.287 33 I C -1.359 174.559 176.117 -0.331 0.000 1.079 33 I CA -2.037 59.107 61.300 -0.260 0.000 1.387 33 I CB 0.952 38.776 38.000 -0.294 0.000 1.404 33 I HN -0.001 nan 8.210 nan 0.000 0.522 34 P HA 0.031 nan 4.420 nan 0.000 0.276 34 P C -0.257 176.645 177.300 -0.664 0.000 1.230 34 P CA 0.031 62.607 63.100 -0.873 0.000 0.776 34 P CB 0.540 31.660 31.700 -0.966 0.000 0.888 35 F N 0.851 120.454 119.950 -0.578 0.000 2.728 35 F HA 0.719 5.246 4.527 -0.001 0.000 0.314 35 F C 0.097 175.790 175.800 -0.179 0.000 1.094 35 F CA -0.899 56.840 58.000 -0.435 0.000 1.217 35 F CB 0.033 38.779 39.000 -0.425 0.000 1.056 35 F HN 0.329 nan 8.300 nan 0.000 0.577 36 A N 0.053 122.579 122.820 -0.491 0.000 2.556 36 A HA 0.606 4.926 4.320 -0.001 0.000 0.294 36 A C -0.799 176.616 177.584 -0.280 0.000 1.091 36 A CA -0.763 51.121 52.037 -0.254 0.000 0.704 36 A CB 1.009 19.853 19.000 -0.261 0.000 1.300 36 A HN 0.044 nan 8.150 nan 0.000 0.406 37 E N 1.177 121.300 120.200 -0.128 0.000 2.414 37 E HA 0.215 4.564 4.350 -0.001 0.000 0.263 37 E C -2.288 174.224 176.600 -0.145 0.000 1.000 37 E CA -1.293 55.047 56.400 -0.100 0.000 0.914 37 E CB -0.017 29.665 29.700 -0.030 0.000 0.948 37 E HN 0.231 nan 8.360 nan 0.000 0.444 38 P HA -0.037 nan 4.420 nan 0.000 0.258 38 P C -2.203 175.047 177.300 -0.085 0.000 1.172 38 P CA -0.504 62.530 63.100 -0.110 0.000 0.762 38 P CB -0.004 31.671 31.700 -0.041 0.000 0.764 39 P HA 0.022 nan 4.420 nan 0.000 0.218 39 P C -0.364 176.890 177.300 -0.076 0.000 1.793 39 P CA 0.072 63.129 63.100 -0.073 0.000 0.941 39 P CB -0.068 31.591 31.700 -0.067 0.000 1.919 40 V N -2.773 117.102 119.914 -0.064 0.000 2.881 40 V HA 0.910 5.029 4.120 -0.001 0.000 0.316 40 V C 0.829 176.888 176.094 -0.058 0.000 1.070 40 V CA 0.155 62.417 62.300 -0.064 0.000 0.976 40 V CB 0.914 32.709 31.823 -0.048 0.000 1.038 40 V HN 0.555 nan 8.190 nan 0.000 0.446 41 G N 3.120 111.882 108.800 -0.064 0.000 2.536 41 G HA2 -0.371 3.589 3.960 -0.001 0.000 0.280 41 G HA3 -0.371 3.589 3.960 -0.001 0.000 0.280 41 G C 0.818 175.681 174.900 -0.061 0.000 1.152 41 G CA 0.829 45.898 45.100 -0.052 0.000 0.970 41 G HN 1.914 nan 8.290 nan 0.000 0.549 42 N N 1.302 119.984 118.700 -0.029 0.000 2.585 42 N HA -0.014 4.726 4.740 -0.001 0.000 0.188 42 N C 2.028 177.531 175.510 -0.012 0.000 1.102 42 N CA 1.970 55.015 53.050 -0.009 0.000 0.920 42 N CB -0.246 38.251 38.487 0.016 0.000 0.963 42 N HN 0.693 nan 8.380 nan 0.000 0.447 43 M N -0.255 119.324 119.600 -0.035 0.000 2.502 43 M HA 0.110 4.590 4.480 -0.001 0.000 0.243 43 M C 0.701 176.954 176.300 -0.078 0.000 1.130 43 M CA -0.301 54.979 55.300 -0.033 0.000 1.055 43 M CB 0.280 32.863 32.600 -0.028 0.000 1.457 43 M HN 0.031 nan 8.290 nan 0.000 0.488 44 R N 0.886 121.283 120.500 -0.173 0.000 2.538 44 R HA -0.084 4.256 4.340 -0.001 0.000 0.282 44 R C -0.351 175.697 176.300 -0.421 0.000 1.009 44 R CA 0.820 56.675 56.100 -0.408 0.000 1.063 44 R CB 0.120 30.039 30.300 -0.635 0.000 0.945 44 R HN 0.262 nan 8.270 nan 0.000 0.414 45 F N -0.729 119.223 119.950 0.003 0.000 2.590 45 F HA -0.298 4.228 4.527 -0.001 0.000 0.471 45 F C 0.616 176.402 175.800 -0.024 0.000 0.551 45 F CA 0.849 58.828 58.000 -0.035 0.000 1.228 45 F CB -1.427 37.537 39.000 -0.060 0.000 1.862 45 F HN 0.616 nan 8.300 nan 0.000 0.271 46 R N 1.479 122.041 120.500 0.103 0.000 2.582 46 R HA 0.377 4.717 4.340 -0.001 0.000 0.271 46 R C 0.783 177.112 176.300 0.048 0.000 1.078 46 R CA -0.841 55.302 56.100 0.071 0.000 1.127 46 R CB 0.454 30.781 30.300 0.046 0.000 1.038 46 R HN 0.079 nan 8.270 nan 0.000 0.500 47 R N 2.557 123.086 120.500 0.049 0.000 2.505 47 R HA -0.084 4.255 4.340 -0.001 0.000 0.274 47 R C -1.929 174.398 176.300 0.044 0.000 0.955 47 R CA -0.306 55.823 56.100 0.048 0.000 1.109 47 R CB 0.025 30.356 30.300 0.052 0.000 0.890 47 R HN 0.419 nan 8.270 nan 0.000 0.415 48 P HA 0.074 nan 4.420 nan 0.000 0.274 48 P C -1.027 176.307 177.300 0.057 0.000 1.237 48 P CA -0.003 63.128 63.100 0.052 0.000 0.793 48 P CB 0.769 32.523 31.700 0.091 0.000 0.977 49 E N 1.646 121.870 120.200 0.040 0.000 2.191 49 E HA 0.354 4.704 4.350 -0.001 0.000 0.274 49 E C -2.143 174.493 176.600 0.061 0.000 0.948 49 E CA -2.426 54.002 56.400 0.047 0.000 0.802 49 E CB 1.055 30.773 29.700 0.030 0.000 1.137 49 E HN 0.378 nan 8.360 nan 0.000 0.397 50 P HA -0.041 nan 4.420 nan 0.000 0.269 50 P C -0.614 176.742 177.300 0.094 0.000 1.209 50 P CA -0.196 62.976 63.100 0.120 0.000 0.776 50 P CB 0.519 32.295 31.700 0.126 0.000 0.876 51 K N 3.101 123.567 120.400 0.109 0.000 2.416 51 K HA 0.044 4.364 4.320 -0.001 0.000 0.283 51 K C -0.078 176.608 176.600 0.144 0.000 1.037 51 K CA 0.209 56.552 56.287 0.093 0.000 0.995 51 K CB -0.087 32.459 32.500 0.077 0.000 0.938 51 K HN 0.217 nan 8.250 nan 0.000 0.475 52 K N 6.180 126.659 120.400 0.132 0.000 2.447 52 K HA 0.083 4.402 4.320 -0.001 0.000 0.281 52 K C -2.146 174.556 176.600 0.170 0.000 1.031 52 K CA -1.444 54.919 56.287 0.126 0.000 1.019 52 K CB 0.040 32.610 32.500 0.116 0.000 0.918 52 K HN 0.522 nan 8.250 nan 0.000 0.476 53 P HA -0.074 nan 4.420 nan 0.000 0.268 53 P C -1.164 176.172 177.300 0.060 0.000 1.208 53 P CA -0.051 62.991 63.100 -0.097 0.000 0.777 53 P CB 0.270 31.863 31.700 -0.179 0.000 0.875 54 W N 0.697 122.067 121.300 0.116 0.000 2.627 54 W HA 0.701 5.360 4.660 -0.001 0.000 0.339 54 W C -0.645 175.946 176.519 0.120 0.000 1.058 54 W CA -0.781 56.653 57.345 0.147 0.000 1.223 54 W CB 0.154 29.769 29.460 0.259 0.000 1.389 54 W HN 0.117 nan 8.180 nan 0.000 0.541 55 S N 1.629 117.499 115.700 0.283 0.000 2.617 55 S HA 0.658 5.128 4.470 -0.001 0.000 0.269 55 S C 0.646 175.437 174.600 0.318 0.000 1.292 55 S CA 0.868 59.186 58.200 0.196 0.000 1.010 55 S CB 0.663 63.941 63.200 0.129 0.000 0.944 55 S HN 1.420 nan 8.310 nan 0.000 0.536 56 G N 0.424 109.360 108.800 0.226 0.000 2.642 56 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.231 56 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.231 56 G C -0.964 174.141 174.900 0.342 0.000 1.338 56 G CA -0.388 44.847 45.100 0.225 0.000 0.883 56 G HN 0.985 nan 8.290 nan 0.000 0.570 57 V N 0.632 120.703 119.914 0.261 0.000 2.378 57 V HA 0.456 4.575 4.120 -0.001 0.000 0.288 57 V C 0.251 176.475 176.094 0.217 0.000 1.016 57 V CA -0.524 61.946 62.300 0.283 0.000 0.840 57 V CB 1.694 33.618 31.823 0.168 0.000 0.994 57 V HN 0.695 nan 8.190 nan 0.000 0.431 58 W N 5.440 126.813 121.300 0.121 0.000 2.368 58 W HA 0.172 4.832 4.660 -0.001 0.000 0.316 58 W C 0.345 176.851 176.519 -0.022 0.000 1.375 58 W CA -0.207 57.046 57.345 -0.153 0.000 1.261 58 W CB 0.749 29.929 29.460 -0.468 0.000 1.298 58 W HN 0.609 nan 8.180 nan 0.000 0.539 59 N N 4.604 123.109 118.700 -0.325 0.000 2.416 59 N HA 0.162 4.901 4.740 -0.001 0.000 0.265 59 N C -0.322 175.189 175.510 0.002 0.000 1.195 59 N CA 0.301 53.257 53.050 -0.158 0.000 0.943 59 N CB 0.997 39.325 38.487 -0.264 0.000 1.115 59 N HN 0.388 nan 8.380 nan 0.000 0.481 60 A N 2.680 125.600 122.820 0.167 0.000 2.911 60 A HA 0.176 4.495 4.320 -0.001 0.000 0.304 60 A C 1.142 178.737 177.584 0.017 0.000 1.144 60 A CA -0.350 51.816 52.037 0.215 0.000 0.988 60 A CB -0.406 18.822 19.000 0.379 0.000 1.141 60 A HN 0.639 nan 8.150 nan 0.000 0.552 61 S N -0.763 114.908 115.700 -0.048 0.000 2.503 61 S HA 0.109 4.579 4.470 -0.001 0.000 0.215 61 S C 0.874 175.389 174.600 -0.142 0.000 1.003 61 S CA 0.749 58.880 58.200 -0.115 0.000 0.910 61 S CB -0.280 62.858 63.200 -0.103 0.000 0.790 61 S HN 0.829 nan 8.310 nan 0.000 0.514 62 T N -0.771 113.716 114.554 -0.111 0.000 2.893 62 T HA 0.613 4.963 4.350 -0.001 0.000 0.291 62 T C -0.776 173.895 174.700 -0.048 0.000 1.028 62 T CA -0.787 61.245 62.100 -0.113 0.000 0.995 62 T CB 0.744 69.564 68.868 -0.081 0.000 1.051 62 T HN 0.072 nan 8.240 nan 0.000 0.470 63 Y N 3.330 123.596 120.300 -0.057 0.000 2.788 63 Y HA 0.236 4.786 4.550 -0.001 0.000 0.341 63 Y C -1.474 174.366 175.900 -0.101 0.000 1.258 63 Y CA -1.227 56.843 58.100 -0.051 0.000 1.503 63 Y CB 0.035 38.486 38.460 -0.016 0.000 1.325 63 Y HN 0.547 nan 8.280 nan 0.000 0.614 64 P HA 0.068 nan 4.420 nan 0.000 0.279 64 P C -0.623 176.602 177.300 -0.125 0.000 1.276 64 P CA -0.563 62.428 63.100 -0.181 0.000 0.801 64 P CB 0.792 32.326 31.700 -0.276 0.000 1.127 65 N N 0.539 119.136 118.700 -0.172 0.000 2.374 65 N HA 0.013 4.753 4.740 -0.001 0.000 0.241 65 N C 0.094 175.572 175.510 -0.052 0.000 1.262 65 N CA 0.563 53.557 53.050 -0.093 0.000 0.880 65 N CB -0.373 38.069 38.487 -0.075 0.000 1.105 65 N HN 0.428 nan 8.380 nan 0.000 0.438 66 N N -0.520 118.139 118.700 -0.069 0.000 2.489 66 N HA 0.303 5.042 4.740 -0.001 0.000 0.284 66 N C -0.387 175.078 175.510 -0.075 0.000 1.158 66 N CA -0.676 52.329 53.050 -0.076 0.000 0.965 66 N CB 0.872 39.286 38.487 -0.122 0.000 1.195 66 N HN 0.416 nan 8.380 nan 0.000 0.506 67 c N 1.126 119.681 118.600 -0.075 0.000 2.689 67 c HA 0.053 4.623 4.570 -0.001 0.000 0.409 67 c C 0.638 174.634 174.090 -0.156 0.000 1.293 67 c CA -0.613 55.650 56.329 -0.111 0.000 2.136 67 c CB -0.124 42.346 42.510 -0.066 0.000 2.719 67 c HN 0.533 nan 8.230 nan 0.000 0.644 68 Q N 2.620 122.242 119.800 -0.296 0.000 2.300 68 Q HA 0.204 4.544 4.340 -0.001 0.000 0.280 68 Q C -0.083 175.853 176.000 -0.107 0.000 1.033 68 Q CA 0.971 56.590 55.803 -0.306 0.000 0.903 68 Q CB 0.445 28.770 28.738 -0.689 0.000 1.195 68 Q HN 0.876 nan 8.270 nan 0.000 0.386 69 Q N 1.390 121.224 119.800 0.055 0.000 2.472 69 Q HA 0.255 4.595 4.340 -0.001 0.000 0.281 69 Q C -1.205 174.972 176.000 0.294 0.000 0.997 69 Q CA -1.007 54.929 55.803 0.222 0.000 0.828 69 Q CB 0.648 29.480 28.738 0.156 0.000 1.443 69 Q HN 0.479 nan 8.270 nan 0.000 0.390 70 Y N 1.304 121.803 120.300 0.332 0.000 2.895 70 Y HA 0.147 4.697 4.550 -0.001 0.000 0.334 70 Y C -0.948 175.141 175.900 0.314 0.000 1.261 70 Y CA 0.747 59.078 58.100 0.386 0.000 1.560 70 Y CB 0.594 39.424 38.460 0.617 0.000 1.253 70 Y HN 0.447 nan 8.280 nan 0.000 0.582 71 V N 6.989 126.659 119.914 -0.407 0.000 2.417 71 V HA 0.121 4.241 4.120 -0.001 0.000 0.291 71 V C -0.456 175.383 176.094 -0.425 0.000 1.024 71 V CA -1.091 61.061 62.300 -0.246 0.000 0.861 71 V CB 1.544 33.289 31.823 -0.131 0.000 0.985 71 V HN 0.739 nan 8.190 nan 0.000 0.436 72 D N 4.234 124.611 120.400 -0.039 0.000 2.346 72 D HA 0.093 4.732 4.640 -0.001 0.000 0.260 72 D C 0.409 176.769 176.300 0.099 0.000 1.252 72 D CA 0.189 54.275 54.000 0.143 0.000 0.895 72 D CB 0.934 41.962 40.800 0.379 0.000 1.097 72 D HN 0.509 nan 8.370 nan 0.000 0.489 73 E N 3.314 123.535 120.200 0.035 0.000 2.789 73 E HA -0.001 4.348 4.350 -0.001 0.000 0.208 73 E C 0.880 177.459 176.600 -0.036 0.000 0.988 73 E CA -0.156 56.255 56.400 0.020 0.000 1.092 73 E CB 0.738 30.424 29.700 -0.023 0.000 1.066 73 E HN 0.600 nan 8.360 nan 0.000 0.465 74 Q N -0.619 119.132 119.800 -0.081 0.000 2.230 74 Q HA -0.013 4.327 4.340 -0.001 0.000 0.202 74 Q C -0.233 175.274 176.000 -0.822 0.000 0.963 74 Q CA 0.904 56.406 55.803 -0.502 0.000 0.866 74 Q CB 0.270 28.565 28.738 -0.737 0.000 0.931 74 Q HN 0.165 nan 8.270 nan 0.000 0.452 75 F N 0.309 120.317 119.950 0.098 0.000 2.622 75 F HA 0.378 4.905 4.527 -0.001 0.000 0.338 75 F C -2.239 173.632 175.800 0.117 0.000 1.334 75 F CA -2.646 55.393 58.000 0.066 0.000 1.179 75 F CB 1.056 40.087 39.000 0.051 0.000 1.471 75 F HN -0.162 nan 8.300 nan 0.000 0.576 76 P HA 0.196 nan 4.420 nan 0.000 0.265 76 P C 1.024 178.408 177.300 0.140 0.000 1.193 76 P CA 1.052 64.228 63.100 0.127 0.000 0.765 76 P CB 0.927 32.665 31.700 0.062 0.000 0.823 77 G N 1.841 110.707 108.800 0.110 0.000 2.212 77 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.266 77 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.266 77 G C -0.040 174.930 174.900 0.118 0.000 0.978 77 G CA -0.262 44.889 45.100 0.084 0.000 0.632 77 G HN 0.535 nan 8.290 nan 0.000 0.537 78 F N 2.744 122.688 119.950 -0.010 0.000 2.411 78 F HA 0.573 5.100 4.527 -0.001 0.000 0.355 78 F C 1.511 177.244 175.800 -0.112 0.000 1.117 78 F CA -0.367 57.576 58.000 -0.096 0.000 1.139 78 F CB 1.390 40.319 39.000 -0.119 0.000 1.120 78 F HN 0.180 nan 8.300 nan 0.000 0.493 79 S N 3.155 118.423 115.700 -0.719 0.000 2.428 79 S HA -0.019 4.451 4.470 -0.001 0.000 0.230 79 S C 2.148 176.316 174.600 -0.720 0.000 1.014 79 S CA 0.657 58.511 58.200 -0.576 0.000 0.957 79 S CB -0.969 61.962 63.200 -0.448 0.000 0.784 79 S HN 0.828 nan 8.310 nan 0.000 0.499 80 G N 2.174 110.045 108.800 -1.547 0.000 2.469 80 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.219 80 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.219 80 G C 1.747 176.718 174.900 0.118 0.000 1.150 80 G CA 1.483 45.887 45.100 -1.159 0.000 0.763 80 G HN 0.793 nan 8.290 nan 0.000 0.561 81 S N -0.245 115.579 115.700 0.206 0.000 2.475 81 S HA 0.139 4.609 4.470 -0.001 0.000 0.224 81 S C 1.853 176.747 174.600 0.490 0.000 1.042 81 S CA 0.802 59.497 58.200 0.825 0.000 0.935 81 S CB -0.006 63.810 63.200 1.026 0.000 0.801 81 S HN 0.488 nan 8.310 nan 0.000 0.509 82 E N 1.898 122.205 120.200 0.179 0.000 2.274 82 E HA -0.042 4.308 4.350 -0.001 0.000 0.194 82 E C 1.976 178.535 176.600 -0.067 0.000 0.996 82 E CA 1.138 57.580 56.400 0.070 0.000 0.840 82 E CB -0.443 29.266 29.700 0.014 0.000 0.772 82 E HN 0.828 nan 8.360 nan 0.000 0.491 83 M N -1.708 117.758 119.600 -0.223 0.000 2.539 83 M HA -0.076 4.403 4.480 -0.001 0.000 0.261 83 M C 0.988 176.914 176.300 -0.624 0.000 1.069 83 M CA 1.388 56.396 55.300 -0.486 0.000 1.081 83 M CB -0.316 31.885 32.600 -0.665 0.000 1.412 83 M HN 0.033 nan 8.290 nan 0.000 0.482 84 W N 0.596 121.829 121.300 -0.112 0.000 2.872 84 W HA 0.280 4.939 4.660 -0.001 0.000 0.266 84 W C 0.485 176.922 176.519 -0.137 0.000 1.276 84 W CA -0.822 56.430 57.345 -0.155 0.000 1.471 84 W CB -0.125 29.285 29.460 -0.084 0.000 1.071 84 W HN 0.091 nan 8.180 nan 0.000 0.619 85 N N 1.730 120.485 118.700 0.093 0.000 2.482 85 N HA 0.099 4.839 4.740 -0.001 0.000 0.260 85 N C -2.467 173.007 175.510 -0.061 0.000 1.236 85 N CA -1.359 51.712 53.050 0.034 0.000 0.938 85 N CB -0.241 38.272 38.487 0.043 0.000 1.128 85 N HN -0.326 nan 8.380 nan 0.000 0.448 86 P HA 0.019 nan 4.420 nan 0.000 0.262 86 P C 0.180 177.419 177.300 -0.102 0.000 1.182 86 P CA 0.084 63.119 63.100 -0.108 0.000 0.761 86 P CB 0.227 31.874 31.700 -0.087 0.000 0.795 87 N N 2.510 121.133 118.700 -0.129 0.000 2.214 87 N HA 0.053 4.792 4.740 -0.001 0.000 0.214 87 N C 0.195 175.655 175.510 -0.083 0.000 1.132 87 N CA 0.086 53.071 53.050 -0.107 0.000 0.856 87 N CB 0.343 38.754 38.487 -0.128 0.000 1.020 87 N HN 0.197 nan 8.380 nan 0.000 0.509 88 R N 0.336 120.783 120.500 -0.089 0.000 2.888 88 R HA 0.248 4.588 4.340 -0.001 0.000 0.266 88 R C -0.488 175.772 176.300 -0.066 0.000 1.020 88 R CA -0.740 55.319 56.100 -0.068 0.000 0.963 88 R CB 1.497 31.750 30.300 -0.077 0.000 1.197 88 R HN 0.313 nan 8.270 nan 0.000 0.481 89 E N 1.815 121.980 120.200 -0.058 0.000 2.502 89 E HA -0.048 4.302 4.350 -0.001 0.000 0.261 89 E C -0.520 176.040 176.600 -0.065 0.000 0.974 89 E CA 0.316 56.682 56.400 -0.057 0.000 0.936 89 E CB 0.586 30.254 29.700 -0.054 0.000 0.926 89 E HN 0.265 nan 8.360 nan 0.000 0.459 90 M N 3.165 122.726 119.600 -0.065 0.000 2.235 90 M HA 0.200 4.679 4.480 -0.001 0.000 0.351 90 M C -0.136 176.113 176.300 -0.085 0.000 1.178 90 M CA 0.058 55.311 55.300 -0.079 0.000 1.143 90 M CB 1.563 34.116 32.600 -0.078 0.000 1.530 90 M HN 0.455 nan 8.290 nan 0.000 0.461 91 S N 0.683 116.322 115.700 -0.103 0.000 2.550 91 S HA 0.251 4.720 4.470 -0.001 0.000 0.270 91 S C 0.176 174.687 174.600 -0.150 0.000 1.145 91 S CA -0.693 57.444 58.200 -0.105 0.000 0.852 91 S CB 1.527 64.691 63.200 -0.060 0.000 1.119 91 S HN 0.827 nan 8.310 nan 0.000 0.465 92 E N 0.846 120.940 120.200 -0.176 0.000 2.268 92 E HA -0.089 4.261 4.350 -0.001 0.000 0.195 92 E C -0.296 176.241 176.600 -0.105 0.000 0.995 92 E CA 0.552 56.831 56.400 -0.202 0.000 0.836 92 E CB 0.096 29.684 29.700 -0.187 0.000 0.763 92 E HN 0.501 nan 8.360 nan 0.000 0.491 93 D N 0.368 120.740 120.400 -0.046 0.000 2.470 93 D HA -0.008 4.631 4.640 -0.001 0.000 0.226 93 D C 0.041 176.427 176.300 0.144 0.000 1.196 93 D CA -0.236 53.783 54.000 0.031 0.000 0.979 93 D CB -0.072 40.767 40.800 0.064 0.000 1.059 93 D HN 0.138 nan 8.370 nan 0.000 0.515 94 c N 2.308 120.958 118.600 0.084 0.000 3.772 94 c HA 0.386 4.955 4.570 -0.001 0.000 0.293 94 c C 0.599 174.748 174.090 0.099 0.000 1.659 94 c CA -0.671 55.759 56.329 0.168 0.000 1.810 94 c CB -1.262 41.269 42.510 0.035 0.000 3.059 94 c HN 0.409 nan 8.230 nan 0.000 0.617 95 L N 2.545 123.563 121.223 -0.341 0.000 2.387 95 L HA 0.431 4.770 4.340 -0.001 0.000 0.267 95 L C -0.895 175.130 176.870 -1.408 0.000 1.197 95 L CA 0.391 54.751 54.840 -0.800 0.000 1.070 95 L CB -0.601 40.907 42.059 -0.918 0.000 1.349 95 L HN 0.372 nan 8.230 nan 0.000 0.422 96 Y N 1.939 122.048 120.300 -0.318 0.000 2.605 96 Y HA 0.682 5.231 4.550 -0.001 0.000 0.343 96 Y C -0.102 175.923 175.900 0.209 0.000 1.036 96 Y CA -1.225 56.795 58.100 -0.133 0.000 1.065 96 Y CB 1.990 40.401 38.460 -0.081 0.000 1.288 96 Y HN 0.193 nan 8.280 nan 0.000 0.481 97 L N -0.215 121.168 121.223 0.267 0.000 2.327 97 L HA 0.779 5.119 4.340 -0.001 0.000 0.258 97 L C -1.356 175.565 176.870 0.084 0.000 1.024 97 L CA -1.116 53.836 54.840 0.187 0.000 0.825 97 L CB 1.856 43.962 42.059 0.078 0.000 1.386 97 L HN 0.450 nan 8.230 nan 0.000 0.417 98 N N 1.484 120.232 118.700 0.080 0.000 2.258 98 N HA 0.705 5.445 4.740 -0.001 0.000 0.299 98 N C -1.373 174.048 175.510 -0.149 0.000 1.047 98 N CA -0.203 52.794 53.050 -0.088 0.000 0.814 98 N CB 2.713 41.160 38.487 -0.066 0.000 1.413 98 N HN 0.661 nan 8.380 nan 0.000 0.478 99 I N 0.575 120.974 120.570 -0.284 0.000 2.466 99 I HA 0.397 4.566 4.170 -0.001 0.000 0.289 99 I C -0.660 175.396 176.117 -0.102 0.000 1.026 99 I CA -0.730 60.514 61.300 -0.094 0.000 1.078 99 I CB 2.106 39.980 38.000 -0.209 0.000 1.249 99 I HN 0.232 nan 8.210 nan 0.000 0.429 100 W N 5.823 127.251 121.300 0.213 0.000 2.429 100 W HA 0.568 5.228 4.660 -0.001 0.000 0.314 100 W C -0.914 175.743 176.519 0.229 0.000 1.062 100 W CA -0.688 56.781 57.345 0.207 0.000 1.211 100 W CB 2.125 31.677 29.460 0.153 0.000 1.305 100 W HN 0.107 nan 8.180 nan 0.000 0.476 101 V N 5.129 125.308 119.914 0.442 0.000 2.444 101 V HA 0.253 4.372 4.120 -0.001 0.000 0.294 101 V C -1.951 174.337 176.094 0.323 0.000 1.022 101 V CA -2.351 60.180 62.300 0.386 0.000 0.850 101 V CB 1.858 33.971 31.823 0.485 0.000 0.992 101 V HN 0.259 nan 8.190 nan 0.000 0.426 102 P HA 0.050 nan 4.420 nan 0.000 0.269 102 P C -0.486 176.943 177.300 0.215 0.000 1.211 102 P CA 0.298 63.533 63.100 0.226 0.000 0.781 102 P CB 0.472 32.269 31.700 0.163 0.000 0.877 103 S N 1.373 117.195 115.700 0.204 0.000 2.707 103 S HA 0.531 5.000 4.470 -0.001 0.000 0.303 103 S C -2.556 172.133 174.600 0.148 0.000 1.132 103 S CA -1.488 56.816 58.200 0.175 0.000 1.046 103 S CB 0.109 63.415 63.200 0.176 0.000 1.004 103 S HN 0.221 nan 8.310 nan 0.000 0.483 104 P HA 0.239 nan 4.420 nan 0.000 0.274 104 P C -0.489 176.885 177.300 0.123 0.000 1.231 104 P CA -0.640 62.526 63.100 0.110 0.000 0.790 104 P CB 0.424 32.173 31.700 0.083 0.000 0.951 105 R N 2.352 122.932 120.500 0.134 0.000 2.494 105 R HA 0.056 4.396 4.340 -0.001 0.000 0.291 105 R C -1.924 174.443 176.300 0.112 0.000 0.953 105 R CA -0.721 55.468 56.100 0.148 0.000 1.098 105 R CB -0.454 29.935 30.300 0.149 0.000 0.911 105 R HN 0.373 nan 8.270 nan 0.000 0.407 106 P HA 0.118 nan 4.420 nan 0.000 0.275 106 P C -0.254 177.084 177.300 0.064 0.000 1.266 106 P CA -0.447 62.702 63.100 0.082 0.000 0.793 106 P CB 0.741 32.493 31.700 0.086 0.000 1.074 107 K N -0.742 119.682 120.400 0.040 0.000 2.190 107 K HA 0.153 4.472 4.320 -0.001 0.000 0.202 107 K C 0.619 177.220 176.600 0.002 0.000 1.045 107 K CA 0.961 57.259 56.287 0.019 0.000 0.976 107 K CB -0.299 32.208 32.500 0.011 0.000 0.849 107 K HN 0.325 nan 8.250 nan 0.000 0.468 108 S N 1.090 116.793 115.700 0.005 0.000 2.708 108 S HA 0.141 4.611 4.470 -0.001 0.000 0.141 108 S C -1.001 173.600 174.600 0.001 0.000 1.349 108 S CA -0.337 57.856 58.200 -0.012 0.000 1.206 108 S CB 0.279 63.462 63.200 -0.029 0.000 1.603 108 S HN 0.134 nan 8.310 nan 0.000 0.415 109 T N 1.780 116.346 114.554 0.021 0.000 2.944 109 T HA 0.520 4.870 4.350 -0.001 0.000 0.284 109 T C 0.215 174.931 174.700 0.026 0.000 1.010 109 T CA 0.015 62.131 62.100 0.027 0.000 1.025 109 T CB 1.053 69.949 68.868 0.047 0.000 1.079 109 T HN 0.413 nan 8.240 nan 0.000 0.516 110 T N 2.685 117.250 114.554 0.018 0.000 2.905 110 T HA 0.237 4.587 4.350 -0.001 0.000 0.299 110 T C -0.190 174.536 174.700 0.043 0.000 1.024 110 T CA -0.093 62.015 62.100 0.014 0.000 1.151 110 T CB 0.058 68.922 68.868 -0.006 0.000 0.987 110 T HN 0.401 nan 8.240 nan 0.000 0.535 111 V N 5.466 125.411 119.914 0.052 0.000 2.483 111 V HA 0.520 4.640 4.120 -0.001 0.000 0.295 111 V C 0.067 176.221 176.094 0.100 0.000 1.035 111 V CA -0.757 61.599 62.300 0.093 0.000 0.896 111 V CB 1.665 33.549 31.823 0.101 0.000 0.986 111 V HN 0.832 nan 8.190 nan 0.000 0.447 112 M N 4.340 124.026 119.600 0.143 0.000 2.259 112 M HA 0.569 5.049 4.480 -0.001 0.000 0.304 112 M C -1.346 175.195 176.300 0.402 0.000 1.019 112 M CA -0.629 54.777 55.300 0.177 0.000 0.922 112 M CB 2.301 34.871 32.600 -0.050 0.000 1.600 112 M HN 0.354 nan 8.290 nan 0.000 0.433 113 V N 2.901 123.100 119.914 0.476 0.000 2.378 113 V HA 0.339 4.458 4.120 -0.001 0.000 0.288 113 V C -0.854 175.543 176.094 0.504 0.000 1.016 113 V CA -0.630 61.930 62.300 0.434 0.000 0.840 113 V CB 1.537 33.490 31.823 0.217 0.000 0.994 113 V HN 0.870 nan 8.190 nan 0.000 0.431 114 W N 6.999 128.407 121.300 0.181 0.000 2.316 114 W HA 0.619 5.278 4.660 -0.001 0.000 0.311 114 W C -1.284 175.136 176.519 -0.165 0.000 1.217 114 W CA -0.698 56.495 57.345 -0.254 0.000 1.199 114 W CB 1.142 30.491 29.460 -0.185 0.000 1.202 114 W HN 0.447 nan 8.180 nan 0.000 0.528 115 I N 9.030 129.026 120.570 -0.955 0.000 2.382 115 I HA 0.081 4.251 4.170 -0.001 0.000 0.286 115 I C -0.260 175.108 176.117 -1.249 0.000 1.002 115 I CA -1.159 59.636 61.300 -0.841 0.000 1.135 115 I CB 0.748 38.423 38.000 -0.542 0.000 1.288 115 I HN 0.292 nan 8.210 nan 0.000 0.448 116 Y N 4.544 124.421 120.300 -0.705 0.000 2.457 116 Y HA 0.653 5.202 4.550 -0.001 0.000 0.341 116 Y C 0.770 176.510 175.900 -0.267 0.000 1.240 116 Y CA -0.879 56.893 58.100 -0.546 0.000 1.437 116 Y CB -0.094 38.318 38.460 -0.080 0.000 1.328 116 Y HN 0.553 nan 8.280 nan 0.000 0.588 117 G N -0.421 108.393 108.800 0.022 0.000 2.543 117 G HA2 0.480 4.439 3.960 -0.001 0.000 0.267 117 G HA3 0.480 4.439 3.960 -0.001 0.000 0.267 117 G C 0.361 175.240 174.900 -0.036 0.000 1.406 117 G CA -0.884 44.183 45.100 -0.056 0.000 1.048 117 G HN 1.740 nan 8.290 nan 0.000 0.548 118 G N -2.996 105.635 108.800 -0.283 0.000 2.165 118 G HA2 0.403 4.362 3.960 -0.001 0.000 0.144 118 G HA3 0.403 4.362 3.960 -0.001 0.000 0.144 118 G C 1.064 175.472 174.900 -0.821 0.000 1.049 118 G CA 0.725 45.529 45.100 -0.492 0.000 0.741 118 G HN 2.336 nan 8.290 nan 0.000 0.493 119 G N -0.515 107.824 108.800 -0.769 0.000 2.168 119 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.257 119 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.257 119 G C 0.942 175.686 174.900 -0.259 0.000 0.997 119 G CA 0.830 45.329 45.100 -1.002 0.000 0.708 119 G HN 1.759 nan 8.290 nan 0.000 0.520 120 F N -3.374 116.529 119.950 -0.077 0.000 2.890 120 F HA -0.334 4.193 4.527 -0.001 0.000 0.346 120 F C 1.522 177.441 175.800 0.198 0.000 0.660 120 F CA 2.231 60.281 58.000 0.083 0.000 1.091 120 F CB -2.080 36.813 39.000 -0.179 0.000 1.535 120 F HN 0.880 nan 8.300 nan 0.000 0.314 121 Y N -0.778 119.624 120.300 0.169 0.000 2.445 121 Y HA 0.642 5.192 4.550 -0.001 0.000 0.247 121 Y C 0.698 176.719 175.900 0.202 0.000 1.129 121 Y CA 0.284 58.497 58.100 0.189 0.000 1.251 121 Y CB 0.052 38.541 38.460 0.048 0.000 1.176 121 Y HN 0.117 nan 8.280 nan 0.000 0.522 122 S N -0.822 114.676 115.700 -0.337 0.000 2.672 122 S HA 0.870 5.340 4.470 -0.001 0.000 0.271 122 S C -0.300 174.145 174.600 -0.260 0.000 1.171 122 S CA -0.433 57.617 58.200 -0.251 0.000 0.817 122 S CB 1.425 64.414 63.200 -0.352 0.000 1.150 122 S HN 1.311 nan 8.310 nan 0.000 0.478 123 G N -0.294 108.322 108.800 -0.306 0.000 2.375 123 G HA2 0.427 4.387 3.960 -0.001 0.000 0.663 123 G HA3 0.427 4.387 3.960 -0.001 0.000 0.663 123 G C -1.065 173.212 174.900 -1.038 0.000 1.391 123 G CA -0.285 44.485 45.100 -0.549 0.000 0.949 123 G HN 1.352 nan 8.290 nan 0.000 0.646 124 S N -1.088 113.978 115.700 -1.055 0.000 2.541 124 S HA 0.683 5.153 4.470 -0.001 0.000 0.271 124 S C 0.968 175.387 174.600 -0.301 0.000 1.133 124 S CA 0.155 57.944 58.200 -0.686 0.000 0.876 124 S CB 1.793 64.793 63.200 -0.333 0.000 1.105 124 S HN 1.936 nan 8.310 nan 0.000 0.470 125 S N -0.022 115.690 115.700 0.021 0.000 2.562 125 S HA -0.039 4.431 4.470 -0.001 0.000 0.221 125 S C 1.259 175.952 174.600 0.154 0.000 0.975 125 S CA 0.838 59.259 58.200 0.369 0.000 0.918 125 S CB -0.532 62.920 63.200 0.421 0.000 0.772 125 S HN 0.821 nan 8.310 nan 0.000 0.531 126 T N -0.198 114.239 114.554 -0.195 0.000 3.054 126 T HA 0.424 4.774 4.350 -0.001 0.000 0.255 126 T C 0.480 174.889 174.700 -0.487 0.000 1.035 126 T CA -0.580 61.091 62.100 -0.715 0.000 0.941 126 T CB -0.485 67.865 68.868 -0.863 0.000 1.026 126 T HN 0.298 nan 8.240 nan 0.000 0.533 127 L N 2.106 123.115 121.223 -0.357 0.000 2.506 127 L HA 0.129 4.469 4.340 -0.001 0.000 0.281 127 L C 1.353 177.979 176.870 -0.407 0.000 1.228 127 L CA -0.374 54.173 54.840 -0.489 0.000 0.850 127 L CB 0.285 41.805 42.059 -0.899 0.000 1.110 127 L HN 0.065 nan 8.230 nan 0.000 0.496 128 D N 1.332 121.517 120.400 -0.358 0.000 2.158 128 D HA -0.162 4.477 4.640 -0.001 0.000 0.197 128 D C 1.870 177.978 176.300 -0.321 0.000 0.995 128 D CA 1.051 54.902 54.000 -0.249 0.000 0.846 128 D CB 0.133 40.793 40.800 -0.233 0.000 0.941 128 D HN 0.372 nan 8.370 nan 0.000 0.456 129 V N -0.060 119.523 119.914 -0.552 0.000 3.217 129 V HA -0.158 3.961 4.120 -0.001 0.000 0.264 129 V C 0.552 176.220 176.094 -0.710 0.000 1.135 129 V CA 0.924 62.873 62.300 -0.585 0.000 1.142 129 V CB -0.406 30.974 31.823 -0.740 0.000 0.754 129 V HN 0.165 nan 8.190 nan 0.000 0.484 130 Y N -0.511 119.309 120.300 -0.800 0.000 2.524 130 Y HA 0.397 4.946 4.550 -0.001 0.000 0.266 130 Y C 0.999 176.443 175.900 -0.759 0.000 1.180 130 Y CA -1.444 55.889 58.100 -1.279 0.000 1.244 130 Y CB -1.016 37.023 38.460 -0.701 0.000 1.125 130 Y HN 0.224 nan 8.280 nan 0.000 0.524 131 N N 1.412 119.919 118.700 -0.321 0.000 2.427 131 N HA -0.004 4.736 4.740 -0.001 0.000 0.269 131 N C 1.353 176.520 175.510 -0.571 0.000 1.235 131 N CA 0.562 53.422 53.050 -0.316 0.000 0.934 131 N CB 1.203 39.610 38.487 -0.133 0.000 1.121 131 N HN 0.443 nan 8.380 nan 0.000 0.480 132 G N 3.501 111.401 108.800 -1.500 0.000 2.679 132 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.212 132 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.212 132 G C 1.415 175.767 174.900 -0.915 0.000 1.137 132 G CA 0.468 44.899 45.100 -1.115 0.000 0.787 132 G HN 0.761 nan 8.290 nan 0.000 0.534 133 K N -0.370 119.335 120.400 -1.159 0.000 2.097 133 K HA -0.115 4.205 4.320 -0.001 0.000 0.205 133 K C 1.795 178.184 176.600 -0.352 0.000 1.050 133 K CA 1.014 56.917 56.287 -0.639 0.000 0.938 133 K CB -0.533 31.643 32.500 -0.539 0.000 0.718 133 K HN 0.305 nan 8.250 nan 0.000 0.442 134 Y N 1.263 121.499 120.300 -0.107 0.000 2.181 134 Y HA -0.136 4.414 4.550 -0.001 0.000 0.288 134 Y C 2.343 178.254 175.900 0.020 0.000 1.146 134 Y CA 0.704 58.798 58.100 -0.010 0.000 1.164 134 Y CB -0.571 37.855 38.460 -0.057 0.000 0.982 134 Y HN 0.039 nan 8.280 nan 0.000 0.515 135 L N 0.012 121.282 121.223 0.078 0.000 2.072 135 L HA 0.025 4.365 4.340 -0.001 0.000 0.205 135 L C 2.364 179.260 176.870 0.044 0.000 1.079 135 L CA 1.734 56.580 54.840 0.010 0.000 0.752 135 L CB -1.235 40.754 42.059 -0.117 0.000 0.906 135 L HN 0.129 nan 8.230 nan 0.000 0.436 136 A N -1.130 121.730 122.820 0.066 0.000 1.865 136 A HA -0.316 4.004 4.320 -0.001 0.000 0.217 136 A C 2.330 180.005 177.584 0.152 0.000 1.191 136 A CA 2.061 54.182 52.037 0.140 0.000 0.623 136 A CB -1.293 17.846 19.000 0.232 0.000 0.826 136 A HN 0.602 nan 8.150 nan 0.000 0.444 137 Y N 1.146 121.474 120.300 0.047 0.000 2.114 137 Y HA -0.185 4.365 4.550 -0.001 0.000 0.284 137 Y C 2.672 178.602 175.900 0.050 0.000 1.143 137 Y CA 2.465 60.596 58.100 0.051 0.000 1.135 137 Y CB -0.766 37.711 38.460 0.028 0.000 0.980 137 Y HN 0.299 nan 8.280 nan 0.000 0.499 138 T N 0.279 114.818 114.554 -0.024 0.000 2.737 138 T HA -0.107 4.243 4.350 -0.001 0.000 0.265 138 T C 1.330 175.963 174.700 -0.111 0.000 1.038 138 T CA 1.649 63.673 62.100 -0.126 0.000 1.144 138 T CB -0.105 68.782 68.868 0.032 0.000 0.866 138 T HN 0.317 nan 8.240 nan 0.000 0.434 139 E N 0.416 120.601 120.200 -0.024 0.000 2.481 139 E HA 0.127 4.476 4.350 -0.001 0.000 0.198 139 E C 0.341 176.949 176.600 0.014 0.000 1.027 139 E CA 0.067 56.480 56.400 0.022 0.000 0.900 139 E CB 0.233 29.966 29.700 0.056 0.000 0.993 139 E HN 0.484 nan 8.360 nan 0.000 0.482 140 E N 0.315 120.512 120.200 -0.006 0.000 2.340 140 E HA -0.166 4.184 4.350 -0.001 0.000 0.240 140 E C -0.728 175.903 176.600 0.052 0.000 1.154 140 E CA 0.484 56.895 56.400 0.019 0.000 0.717 140 E CB -1.761 27.941 29.700 0.003 0.000 1.250 140 E HN 0.125 nan 8.360 nan 0.000 0.386 141 V N -2.506 117.450 119.914 0.071 0.000 3.019 141 V HA 0.804 4.924 4.120 -0.001 0.000 0.317 141 V C 0.503 176.680 176.094 0.138 0.000 1.094 141 V CA -0.770 61.580 62.300 0.083 0.000 1.000 141 V CB 2.240 34.095 31.823 0.054 0.000 1.060 141 V HN 0.039 nan 8.190 nan 0.000 0.443 142 V N 4.236 124.240 119.914 0.149 0.000 2.408 142 V HA 0.301 4.420 4.120 -0.001 0.000 0.267 142 V C -0.019 176.215 176.094 0.234 0.000 1.047 142 V CA -0.295 62.127 62.300 0.202 0.000 0.937 142 V CB 1.002 32.931 31.823 0.177 0.000 0.999 142 V HN 0.751 nan 8.190 nan 0.000 0.472 143 L N 7.705 129.127 121.223 0.330 0.000 2.280 143 L HA 0.590 4.930 4.340 -0.001 0.000 0.287 143 L C -0.477 176.710 176.870 0.528 0.000 1.023 143 L CA 0.033 55.121 54.840 0.413 0.000 0.819 143 L CB 1.679 43.978 42.059 0.400 0.000 1.212 143 L HN 0.398 nan 8.230 nan 0.000 0.420 144 V N 4.058 124.243 119.914 0.452 0.000 2.513 144 V HA 0.552 4.672 4.120 -0.001 0.000 0.299 144 V C 0.166 176.559 176.094 0.498 0.000 1.035 144 V CA -0.573 61.965 62.300 0.398 0.000 0.889 144 V CB 2.019 33.990 31.823 0.247 0.000 0.988 144 V HN 0.908 nan 8.190 nan 0.000 0.440 145 S N 5.035 121.044 115.700 0.514 0.000 2.478 145 S HA 0.826 5.295 4.470 -0.001 0.000 0.312 145 S C -0.756 174.042 174.600 0.329 0.000 1.094 145 S CA -0.795 57.703 58.200 0.498 0.000 1.081 145 S CB 1.584 65.181 63.200 0.661 0.000 1.007 145 S HN 0.667 nan 8.310 nan 0.000 0.475 146 L N 0.860 122.213 121.223 0.216 0.000 2.440 146 L HA 0.982 5.322 4.340 -0.001 0.000 0.262 146 L C 0.171 177.190 176.870 0.248 0.000 1.072 146 L CA -0.657 54.276 54.840 0.155 0.000 0.798 146 L CB 0.173 42.199 42.059 -0.054 0.000 1.307 146 L HN 0.887 nan 8.230 nan 0.000 0.475 147 S N -1.551 114.358 115.700 0.349 0.000 2.704 147 S HA 0.921 5.390 4.470 -0.001 0.000 0.296 147 S C -1.202 173.647 174.600 0.415 0.000 1.138 147 S CA -0.437 57.981 58.200 0.364 0.000 0.875 147 S CB 1.569 65.021 63.200 0.420 0.000 1.151 147 S HN 1.232 nan 8.310 nan 0.000 0.500 148 Y N -2.007 118.422 120.300 0.215 0.000 2.604 148 Y HA 0.654 5.203 4.550 -0.001 0.000 0.331 148 Y C -0.894 175.139 175.900 0.223 0.000 1.158 148 Y CA -1.374 56.836 58.100 0.183 0.000 1.056 148 Y CB 0.640 39.155 38.460 0.091 0.000 1.330 148 Y HN 0.764 nan 8.280 nan 0.000 0.457 149 R N 1.954 122.600 120.500 0.242 0.000 2.489 149 R HA 0.521 4.861 4.340 -0.001 0.000 0.287 149 R C -0.180 176.301 176.300 0.302 0.000 1.053 149 R CA -0.152 56.048 56.100 0.166 0.000 1.036 149 R CB 0.886 31.249 30.300 0.106 0.000 0.966 149 R HN 0.688 nan 8.270 nan 0.000 0.432 150 V N 0.059 120.164 119.914 0.318 0.000 3.166 150 V HA 0.906 5.026 4.120 -0.001 0.000 0.317 150 V C 0.712 177.151 176.094 0.575 0.000 1.136 150 V CA -0.068 62.546 62.300 0.523 0.000 1.035 150 V CB 1.234 33.261 31.823 0.340 0.000 1.110 150 V HN 0.974 nan 8.190 nan 0.000 0.450 151 G N 0.588 109.764 108.800 0.627 0.000 2.601 151 G HA2 0.054 4.013 3.960 -0.001 0.000 0.252 151 G HA3 0.054 4.013 3.960 -0.001 0.000 0.252 151 G C 0.959 176.062 174.900 0.338 0.000 1.294 151 G CA 0.820 46.237 45.100 0.530 0.000 0.912 151 G HN 2.196 nan 8.290 nan 0.000 0.574 152 A N -1.222 121.478 122.820 -0.199 0.000 1.940 152 A HA 0.202 4.522 4.320 -0.001 0.000 0.219 152 A C 2.240 179.728 177.584 -0.160 0.000 1.176 152 A CA 2.575 54.143 52.037 -0.783 0.000 0.631 152 A CB -0.569 17.739 19.000 -1.153 0.000 0.814 152 A HN 1.051 nan 8.150 nan 0.000 0.446 153 F N 0.160 120.193 119.950 0.139 0.000 2.192 153 F HA -0.120 4.407 4.527 -0.001 0.000 0.301 153 F C 2.449 178.283 175.800 0.058 0.000 1.079 153 F CA 1.249 59.306 58.000 0.095 0.000 1.303 153 F CB -0.708 38.292 39.000 0.001 0.000 1.024 153 F HN 0.296 nan 8.300 nan 0.000 0.494 154 G N -2.559 106.363 108.800 0.203 0.000 2.762 154 G HA2 0.071 4.031 3.960 -0.001 0.000 0.209 154 G HA3 0.071 4.031 3.960 -0.001 0.000 0.209 154 G C 0.825 175.307 174.900 -0.696 0.000 1.134 154 G CA 0.162 45.118 45.100 -0.241 0.000 0.781 154 G HN 0.348 nan 8.290 nan 0.000 0.528 155 F N -0.792 119.257 119.950 0.165 0.000 2.974 155 F HA 0.413 4.940 4.527 -0.001 0.000 0.357 155 F C 0.376 176.238 175.800 0.103 0.000 1.114 155 F CA -1.055 57.019 58.000 0.125 0.000 1.099 155 F CB 0.298 39.395 39.000 0.161 0.000 1.205 155 F HN -0.100 nan 8.300 nan 0.000 0.535 156 L N 2.334 123.583 121.223 0.044 0.000 2.601 156 L HA 0.348 4.688 4.340 -0.001 0.000 0.277 156 L C 0.192 177.036 176.870 -0.043 0.000 1.219 156 L CA 0.322 55.073 54.840 -0.150 0.000 0.915 156 L CB 0.290 41.938 42.059 -0.686 0.000 1.160 156 L HN 0.171 nan 8.230 nan 0.000 0.494 157 A N 7.077 129.919 122.820 0.035 0.000 2.363 157 A HA 0.606 4.926 4.320 -0.001 0.000 0.296 157 A C -0.811 176.790 177.584 0.028 0.000 1.237 157 A CA -0.488 51.578 52.037 0.049 0.000 0.773 157 A CB 0.526 19.583 19.000 0.094 0.000 1.153 157 A HN 0.690 nan 8.150 nan 0.000 0.473 158 L N 3.564 124.792 121.223 0.009 0.000 2.435 158 L HA 0.250 4.590 4.340 -0.001 0.000 0.253 158 L C 0.095 177.005 176.870 0.065 0.000 1.087 158 L CA -0.724 54.128 54.840 0.020 0.000 0.950 158 L CB 0.305 42.345 42.059 -0.031 0.000 1.304 158 L HN 0.863 nan 8.230 nan 0.000 0.453 159 H N 1.938 121.010 119.070 0.003 0.000 3.034 159 H HA 0.296 4.852 4.556 -0.001 0.000 0.324 159 H C 1.148 176.482 175.328 0.011 0.000 1.015 159 H CA 1.373 57.430 56.048 0.014 0.000 1.429 159 H CB 0.834 30.609 29.762 0.021 0.000 1.429 159 H HN 0.685 nan 8.280 nan 0.000 0.585 160 G N 2.779 111.301 108.800 -0.464 0.000 2.284 160 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.216 160 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.216 160 G C 0.425 175.239 174.900 -0.144 0.000 1.009 160 G CA 0.222 45.127 45.100 -0.326 0.000 0.625 160 G HN 0.948 nan 8.290 nan 0.000 0.501 161 S N 0.110 115.760 115.700 -0.082 0.000 2.586 161 S HA 0.607 5.077 4.470 -0.001 0.000 0.274 161 S C 1.041 175.631 174.600 -0.017 0.000 1.281 161 S CA 0.218 58.397 58.200 -0.034 0.000 1.035 161 S CB 1.552 64.743 63.200 -0.015 0.000 0.962 161 S HN 0.204 nan 8.310 nan 0.000 0.512 162 Q N 1.494 121.294 119.800 0.000 0.000 2.319 162 Q HA 0.186 4.526 4.340 -0.001 0.000 0.209 162 Q C 1.018 177.040 176.000 0.038 0.000 0.884 162 Q CA 0.262 56.075 55.803 0.016 0.000 0.938 162 Q CB 0.245 28.991 28.738 0.013 0.000 1.098 162 Q HN 0.735 nan 8.270 nan 0.000 0.517 163 E N 0.492 120.718 120.200 0.044 0.000 2.230 163 E HA 0.086 4.436 4.350 -0.001 0.000 0.192 163 E C 0.170 176.835 176.600 0.108 0.000 0.987 163 E CA 0.423 56.868 56.400 0.075 0.000 0.841 163 E CB 0.585 30.334 29.700 0.080 0.000 0.783 163 E HN 0.110 nan 8.360 nan 0.000 0.481 164 A N 1.736 124.596 122.820 0.067 0.000 3.300 164 A HA 0.313 4.633 4.320 -0.001 0.000 0.300 164 A C -2.217 175.381 177.584 0.024 0.000 1.099 164 A CA -0.910 51.156 52.037 0.048 0.000 0.846 164 A CB 0.745 19.696 19.000 -0.082 0.000 1.255 164 A HN -0.131 nan 8.150 nan 0.000 0.519 165 P HA 0.225 nan 4.420 nan 0.000 0.240 165 P C 0.879 178.238 177.300 0.098 0.000 1.190 165 P CA 1.487 64.632 63.100 0.076 0.000 0.781 165 P CB 0.355 32.102 31.700 0.079 0.000 0.931 166 G N 0.905 109.744 108.800 0.064 0.000 2.712 166 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.683 166 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.683 166 G C -0.079 174.838 174.900 0.028 0.000 1.320 166 G CA -0.280 44.864 45.100 0.073 0.000 0.847 166 G HN 0.077 nan 8.290 nan 0.000 0.553 167 N N -2.434 116.289 118.700 0.038 0.000 2.765 167 N HA -0.294 4.445 4.740 -0.001 0.000 0.248 167 N C 1.979 177.342 175.510 -0.244 0.000 1.063 167 N CA 2.622 55.618 53.050 -0.090 0.000 0.862 167 N CB -1.640 36.726 38.487 -0.201 0.000 1.145 167 N HN 1.927 nan 8.380 nan 0.000 0.581 168 V N -2.693 117.069 119.914 -0.253 0.000 2.490 168 V HA -0.020 4.100 4.120 -0.001 0.000 0.250 168 V C 2.329 178.279 176.094 -0.239 0.000 1.061 168 V CA 2.345 64.540 62.300 -0.175 0.000 1.064 168 V CB -1.007 30.775 31.823 -0.069 0.000 0.670 168 V HN 0.274 nan 8.190 nan 0.000 0.461 169 G N 0.434 108.873 108.800 -0.602 0.000 2.422 169 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.218 169 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.218 169 G C 1.560 176.419 174.900 -0.067 0.000 1.146 169 G CA 1.217 46.103 45.100 -0.357 0.000 0.769 169 G HN 0.543 nan 8.290 nan 0.000 0.547 170 L N -0.183 120.962 121.223 -0.130 0.000 2.093 170 L HA 0.046 4.386 4.340 -0.001 0.000 0.208 170 L C 2.846 179.766 176.870 0.083 0.000 1.085 170 L CA 0.444 55.218 54.840 -0.110 0.000 0.755 170 L CB -0.302 41.406 42.059 -0.585 0.000 0.904 170 L HN 0.181 nan 8.230 nan 0.000 0.435 171 L N -0.616 120.642 121.223 0.058 0.000 2.131 171 L HA -0.213 4.126 4.340 -0.001 0.000 0.210 171 L C 2.201 179.156 176.870 0.142 0.000 1.092 171 L CA 0.848 55.785 54.840 0.161 0.000 0.759 171 L CB -0.663 41.469 42.059 0.122 0.000 0.903 171 L HN 0.281 nan 8.230 nan 0.000 0.435 172 D N 0.083 120.565 120.400 0.136 0.000 2.106 172 D HA -0.232 4.408 4.640 -0.001 0.000 0.191 172 D C 2.264 178.640 176.300 0.126 0.000 0.997 172 D CA 1.308 55.453 54.000 0.241 0.000 0.834 172 D CB -0.246 40.738 40.800 0.307 0.000 0.956 172 D HN 0.388 nan 8.370 nan 0.000 0.448 173 Q N -0.028 119.813 119.800 0.068 0.000 2.096 173 Q HA -0.145 4.194 4.340 -0.001 0.000 0.204 173 Q C 2.304 178.213 176.000 -0.150 0.000 0.982 173 Q CA 1.055 56.816 55.803 -0.069 0.000 0.850 173 Q CB -0.049 28.679 28.738 -0.017 0.000 0.901 173 Q HN 0.207 nan 8.270 nan 0.000 0.422 174 R N 0.506 121.004 120.500 -0.004 0.000 2.081 174 R HA -0.123 4.217 4.340 -0.001 0.000 0.235 174 R C 2.213 178.486 176.300 -0.044 0.000 1.131 174 R CA 1.335 57.416 56.100 -0.032 0.000 0.960 174 R CB -0.151 30.235 30.300 0.143 0.000 0.856 174 R HN 0.278 nan 8.270 nan 0.000 0.436 175 M N 0.026 119.624 119.600 -0.004 0.000 2.117 175 M HA -0.129 4.351 4.480 -0.001 0.000 0.262 175 M C 2.109 178.345 176.300 -0.106 0.000 1.065 175 M CA 2.026 57.350 55.300 0.040 0.000 1.114 175 M CB -0.056 32.667 32.600 0.205 0.000 1.361 175 M HN 0.298 nan 8.290 nan 0.000 0.408 176 A N 0.301 122.774 122.820 -0.579 0.000 1.930 176 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 176 A C 1.981 179.445 177.584 -0.201 0.000 1.175 176 A CA 1.327 52.897 52.037 -0.778 0.000 0.627 176 A CB -0.955 17.278 19.000 -1.280 0.000 0.815 176 A HN 0.586 nan 8.150 nan 0.000 0.443 177 L N -1.105 120.020 121.223 -0.164 0.000 2.141 177 L HA -0.210 4.129 4.340 -0.001 0.000 0.209 177 L C 2.819 179.730 176.870 0.067 0.000 1.094 177 L CA 1.628 56.443 54.840 -0.041 0.000 0.763 177 L CB -0.460 41.533 42.059 -0.110 0.000 0.908 177 L HN 0.480 nan 8.230 nan 0.000 0.437 178 Q N -0.288 119.548 119.800 0.060 0.000 2.079 178 Q HA -0.249 4.090 4.340 -0.001 0.000 0.200 178 Q C 2.015 178.120 176.000 0.174 0.000 0.974 178 Q CA 1.884 57.748 55.803 0.102 0.000 0.840 178 Q CB -0.449 28.339 28.738 0.084 0.000 0.898 178 Q HN 0.464 nan 8.270 nan 0.000 0.430 179 W N -0.682 120.633 121.300 0.026 0.000 2.358 179 W HA -0.167 4.493 4.660 -0.001 0.000 0.303 179 W C 1.843 178.410 176.519 0.080 0.000 1.208 179 W CA 1.671 59.057 57.345 0.068 0.000 1.274 179 W CB -0.153 29.352 29.460 0.076 0.000 1.138 179 W HN 0.012 nan 8.180 nan 0.000 0.515 180 V N -0.197 119.941 119.914 0.373 0.000 2.295 180 V HA -0.376 3.744 4.120 -0.001 0.000 0.246 180 V C 2.131 178.272 176.094 0.078 0.000 1.049 180 V CA 2.473 64.915 62.300 0.237 0.000 1.024 180 V CB -1.350 30.597 31.823 0.207 0.000 0.648 180 V HN 0.282 nan 8.190 nan 0.000 0.447 181 H N 0.427 119.504 119.070 0.012 0.000 2.319 181 H HA -0.171 4.385 4.556 -0.001 0.000 0.299 181 H C 2.059 177.329 175.328 -0.096 0.000 1.092 181 H CA 2.164 58.195 56.048 -0.029 0.000 1.302 181 H CB -0.066 29.691 29.762 -0.010 0.000 1.373 181 H HN 0.422 nan 8.280 nan 0.000 0.497 182 D N -0.708 119.666 120.400 -0.044 0.000 2.183 182 D HA -0.087 4.552 4.640 -0.001 0.000 0.203 182 D C 1.169 177.315 176.300 -0.258 0.000 0.969 182 D CA 1.003 54.913 54.000 -0.149 0.000 0.842 182 D CB 0.012 40.724 40.800 -0.147 0.000 0.957 182 D HN 0.497 nan 8.370 nan 0.000 0.484 183 N N -0.419 118.059 118.700 -0.370 0.000 2.193 183 N HA 0.039 4.779 4.740 -0.001 0.000 0.210 183 N C 1.440 176.906 175.510 -0.073 0.000 1.215 183 N CA -0.158 52.709 53.050 -0.306 0.000 0.901 183 N CB 1.032 38.938 38.487 -0.967 0.000 1.060 183 N HN 0.027 nan 8.380 nan 0.000 0.508 184 I N 3.064 123.594 120.570 -0.066 0.000 2.567 184 I HA -0.234 3.936 4.170 -0.001 0.000 0.257 184 I C 2.571 178.713 176.117 0.042 0.000 1.184 184 I CA 1.202 62.578 61.300 0.126 0.000 1.451 184 I CB -0.157 37.889 38.000 0.076 0.000 1.089 184 I HN 0.186 nan 8.210 nan 0.000 0.441 185 Q N -0.542 119.096 119.800 -0.270 0.000 2.181 185 Q HA -0.250 4.090 4.340 -0.001 0.000 0.205 185 Q C 1.865 177.641 176.000 -0.374 0.000 0.980 185 Q CA 1.797 57.362 55.803 -0.397 0.000 0.862 185 Q CB -0.919 27.443 28.738 -0.626 0.000 0.905 185 Q HN 0.424 nan 8.270 nan 0.000 0.429 186 F N -0.173 119.718 119.950 -0.099 0.000 2.604 186 F HA 0.078 4.605 4.527 -0.001 0.000 0.298 186 F C 0.985 176.541 175.800 -0.406 0.000 1.131 186 F CA 0.383 58.221 58.000 -0.271 0.000 1.457 186 F CB -0.125 38.636 39.000 -0.399 0.000 1.095 186 F HN 0.004 nan 8.300 nan 0.000 0.574 187 F N -0.674 119.291 119.950 0.024 0.000 2.695 187 F HA 0.419 4.946 4.527 -0.001 0.000 0.303 187 F C 1.785 177.602 175.800 0.027 0.000 1.091 187 F CA 0.314 58.306 58.000 -0.013 0.000 1.300 187 F CB 0.014 38.981 39.000 -0.055 0.000 1.071 187 F HN 0.023 nan 8.300 nan 0.000 0.578 188 G N 0.272 109.148 108.800 0.126 0.000 2.157 188 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.239 188 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.239 188 G C 0.603 175.548 174.900 0.075 0.000 0.982 188 G CA -0.278 44.873 45.100 0.086 0.000 0.650 188 G HN 0.712 nan 8.290 nan 0.000 0.527 189 G N -0.342 108.509 108.800 0.085 0.000 2.420 189 G HA2 0.481 4.441 3.960 -0.001 0.000 0.284 189 G HA3 0.481 4.441 3.960 -0.001 0.000 0.284 189 G C -0.599 174.290 174.900 -0.019 0.000 1.177 189 G CA 0.328 45.460 45.100 0.053 0.000 0.841 189 G HN 0.271 nan 8.290 nan 0.000 0.527 190 D N 1.834 122.223 120.400 -0.020 0.000 2.380 190 D HA 0.248 4.887 4.640 -0.001 0.000 0.230 190 D C -1.065 175.194 176.300 -0.068 0.000 1.154 190 D CA -2.423 51.543 54.000 -0.056 0.000 0.859 190 D CB 1.793 42.571 40.800 -0.037 0.000 1.045 190 D HN 0.078 nan 8.370 nan 0.000 0.495 191 P HA -0.112 nan 4.420 nan 0.000 0.234 191 P C 0.508 177.740 177.300 -0.114 0.000 1.167 191 P CA 0.724 63.714 63.100 -0.184 0.000 0.763 191 P CB 0.005 31.448 31.700 -0.428 0.000 0.835 192 K N -1.064 119.288 120.400 -0.080 0.000 2.404 192 K HA 0.160 4.480 4.320 -0.001 0.000 0.194 192 K C -0.048 176.550 176.600 -0.004 0.000 1.023 192 K CA 0.263 56.537 56.287 -0.020 0.000 1.094 192 K CB -0.294 32.186 32.500 -0.034 0.000 0.841 192 K HN -0.147 nan 8.250 nan 0.000 0.523 193 T N 1.552 116.104 114.554 -0.002 0.000 3.630 193 T HA 0.218 4.567 4.350 -0.001 0.000 0.238 193 T C -0.764 173.956 174.700 0.033 0.000 1.195 193 T CA -0.517 61.582 62.100 -0.000 0.000 1.433 193 T CB 0.754 69.607 68.868 -0.025 0.000 0.940 193 T HN -0.089 nan 8.240 nan 0.000 0.641 194 V N 2.293 122.259 119.914 0.085 0.000 2.406 194 V HA 0.363 4.482 4.120 -0.001 0.000 0.272 194 V C 0.552 176.750 176.094 0.174 0.000 1.043 194 V CA -0.370 62.011 62.300 0.135 0.000 0.915 194 V CB 1.241 33.176 31.823 0.187 0.000 0.988 194 V HN 0.513 nan 8.190 nan 0.000 0.466 195 T N 6.788 121.426 114.554 0.139 0.000 2.744 195 T HA 0.523 4.872 4.350 -0.001 0.000 0.291 195 T C 0.053 174.875 174.700 0.203 0.000 0.957 195 T CA -0.121 62.078 62.100 0.164 0.000 1.002 195 T CB 0.560 69.479 68.868 0.085 0.000 0.919 195 T HN 0.621 nan 8.240 nan 0.000 0.468 196 I N 2.072 122.727 120.570 0.142 0.000 2.428 196 I HA 0.791 4.960 4.170 -0.001 0.000 0.289 196 I C -0.696 175.577 176.117 0.259 0.000 1.019 196 I CA -0.813 60.539 61.300 0.088 0.000 1.351 196 I CB 0.525 38.353 38.000 -0.288 0.000 1.412 196 I HN 0.475 nan 8.210 nan 0.000 0.513 197 F N 3.506 123.485 119.950 0.048 0.000 2.613 197 F HA 1.007 5.533 4.527 -0.001 0.000 0.310 197 F C -0.451 175.333 175.800 -0.027 0.000 1.085 197 F CA -1.271 56.798 58.000 0.115 0.000 0.945 197 F CB 1.372 40.554 39.000 0.304 0.000 1.298 197 F HN 0.834 nan 8.300 nan 0.000 0.455 198 G N 1.147 109.810 108.800 -0.229 0.000 2.601 198 G HA2 0.477 4.437 3.960 -0.001 0.000 0.291 198 G HA3 0.477 4.437 3.960 -0.001 0.000 0.291 198 G C -2.559 172.112 174.900 -0.381 0.000 1.456 198 G CA -0.806 43.772 45.100 -0.871 0.000 0.804 198 G HN 0.866 nan 8.290 nan 0.000 0.499 199 E N 0.469 120.406 120.200 -0.440 0.000 2.212 199 E HA 0.628 4.978 4.350 -0.001 0.000 0.268 199 E C 0.677 177.235 176.600 -0.070 0.000 0.902 199 E CA 0.374 56.762 56.400 -0.020 0.000 0.779 199 E CB 2.051 31.899 29.700 0.246 0.000 1.172 199 E HN 0.959 nan 8.360 nan 0.000 0.409 200 S N 3.134 118.863 115.700 0.048 0.000 4.116 200 S HA -0.394 4.075 4.470 -0.001 0.000 0.623 200 S C 1.489 176.182 174.600 0.156 0.000 1.933 200 S CA 2.101 60.401 58.200 0.165 0.000 4.224 200 S CB -1.644 61.611 63.200 0.092 0.000 0.208 200 S HN 1.002 nan 8.310 nan 0.000 0.527 201 A N 1.061 123.867 122.820 -0.023 0.000 2.032 201 A HA 0.103 4.422 4.320 -0.001 0.000 0.221 201 A C 2.481 179.820 177.584 -0.409 0.000 1.165 201 A CA 2.576 54.395 52.037 -0.363 0.000 0.645 201 A CB -1.591 16.804 19.000 -1.008 0.000 0.807 201 A HN 1.658 nan 8.150 nan 0.000 0.453 202 G N -0.878 107.740 108.800 -0.304 0.000 2.421 202 G HA2 0.116 4.075 3.960 -0.001 0.000 0.217 202 G HA3 0.116 4.075 3.960 -0.001 0.000 0.217 202 G C 1.447 176.171 174.900 -0.294 0.000 1.143 202 G CA 1.112 45.984 45.100 -0.378 0.000 0.784 202 G HN 0.660 nan 8.290 nan 0.000 0.541 203 G N 1.104 109.795 108.800 -0.182 0.000 2.394 203 G HA2 0.100 4.060 3.960 -0.001 0.000 0.215 203 G HA3 0.100 4.060 3.960 -0.001 0.000 0.215 203 G C 2.051 176.858 174.900 -0.155 0.000 1.165 203 G CA 1.416 46.441 45.100 -0.124 0.000 0.784 203 G HN 0.568 nan 8.290 nan 0.000 0.535 204 A N 0.972 123.725 122.820 -0.110 0.000 1.883 204 A HA -0.062 4.258 4.320 -0.001 0.000 0.217 204 A C 2.695 180.223 177.584 -0.093 0.000 1.186 204 A CA 2.388 54.338 52.037 -0.145 0.000 0.624 204 A CB -0.838 18.103 19.000 -0.099 0.000 0.822 204 A HN 0.310 nan 8.150 nan 0.000 0.444 205 S N -0.575 115.094 115.700 -0.052 0.000 2.359 205 S HA -0.185 4.284 4.470 -0.001 0.000 0.223 205 S C 1.935 176.454 174.600 -0.135 0.000 1.039 205 S CA 1.592 59.733 58.200 -0.097 0.000 1.042 205 S CB -0.663 62.433 63.200 -0.172 0.000 0.915 205 S HN 0.361 nan 8.310 nan 0.000 0.439 206 V N 1.500 121.342 119.914 -0.120 0.000 2.252 206 V HA -0.235 3.884 4.120 -0.001 0.000 0.249 206 V C 2.609 178.647 176.094 -0.092 0.000 1.056 206 V CA 2.130 64.366 62.300 -0.107 0.000 1.022 206 V CB -1.515 30.228 31.823 -0.133 0.000 0.641 206 V HN 0.624 nan 8.190 nan 0.000 0.445 207 G N -1.218 107.474 108.800 -0.180 0.000 2.432 207 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.219 207 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.219 207 G C 1.593 176.487 174.900 -0.010 0.000 1.135 207 G CA 1.080 46.050 45.100 -0.216 0.000 0.767 207 G HN 0.466 nan 8.290 nan 0.000 0.550 208 M N -0.220 119.382 119.600 0.003 0.000 2.229 208 M HA 0.014 4.493 4.480 -0.001 0.000 0.264 208 M C 2.289 178.705 176.300 0.193 0.000 1.063 208 M CA 0.883 56.314 55.300 0.218 0.000 1.114 208 M CB -0.238 32.512 32.600 0.250 0.000 1.387 208 M HN 0.186 nan 8.290 nan 0.000 0.420 209 H N -0.111 119.088 119.070 0.215 0.000 2.428 209 H HA 0.029 4.585 4.556 -0.001 0.000 0.296 209 H C 2.119 177.662 175.328 0.359 0.000 1.062 209 H CA 1.275 57.441 56.048 0.196 0.000 1.350 209 H CB -0.311 29.449 29.762 -0.003 0.000 1.403 209 H HN 0.406 nan 8.280 nan 0.000 0.533 210 I N 0.150 121.004 120.570 0.474 0.000 2.286 210 I HA -0.258 3.911 4.170 -0.001 0.000 0.248 210 I C 2.016 178.385 176.117 0.420 0.000 1.115 210 I CA 0.779 62.399 61.300 0.533 0.000 1.392 210 I CB -0.046 38.219 38.000 0.441 0.000 1.065 210 I HN 0.095 nan 8.210 nan 0.000 0.418 211 L N -0.146 121.289 121.223 0.355 0.000 2.068 211 L HA 0.017 4.356 4.340 -0.001 0.000 0.204 211 L C 1.528 178.517 176.870 0.199 0.000 1.076 211 L CA 1.179 56.224 54.840 0.342 0.000 0.753 211 L CB -0.635 41.660 42.059 0.393 0.000 0.910 211 L HN 0.025 nan 8.230 nan 0.000 0.439 212 S N 0.204 115.939 115.700 0.058 0.000 2.465 212 S HA 0.085 4.555 4.470 -0.001 0.000 0.280 212 S C -1.463 173.019 174.600 -0.196 0.000 1.232 212 S CA -1.183 56.848 58.200 -0.282 0.000 1.066 212 S CB 0.596 63.190 63.200 -1.009 0.000 0.929 212 S HN -0.018 nan 8.310 nan 0.000 0.494 213 P HA -0.097 nan 4.420 nan 0.000 0.216 213 P C 1.363 178.579 177.300 -0.140 0.000 1.154 213 P CA 1.290 64.321 63.100 -0.115 0.000 0.865 213 P CB -0.100 31.538 31.700 -0.103 0.000 0.789 214 G N -1.815 106.853 108.800 -0.220 0.000 2.776 214 G HA2 -0.099 3.861 3.960 -0.001 0.000 0.209 214 G HA3 -0.099 3.861 3.960 -0.001 0.000 0.209 214 G C 1.325 176.149 174.900 -0.127 0.000 1.145 214 G CA 0.471 45.464 45.100 -0.178 0.000 0.791 214 G HN 0.235 nan 8.290 nan 0.000 0.530 215 S N -0.646 115.000 115.700 -0.089 0.000 2.539 215 S HA 0.120 4.590 4.470 -0.001 0.000 0.226 215 S C 2.202 176.889 174.600 0.145 0.000 1.054 215 S CA -0.460 57.786 58.200 0.076 0.000 0.910 215 S CB 0.247 63.620 63.200 0.288 0.000 0.818 215 S HN 0.340 nan 8.310 nan 0.000 0.490 216 R N 1.815 122.341 120.500 0.043 0.000 2.117 216 R HA -0.102 4.238 4.340 -0.001 0.000 0.243 216 R C 0.794 176.886 176.300 -0.346 0.000 1.143 216 R CA 1.617 57.643 56.100 -0.122 0.000 0.968 216 R CB -0.381 29.865 30.300 -0.090 0.000 0.863 216 R HN 0.282 nan 8.270 nan 0.000 0.444 217 D N 0.314 120.585 120.400 -0.214 0.000 2.347 217 D HA -0.011 4.629 4.640 -0.001 0.000 0.213 217 D C 1.407 177.539 176.300 -0.281 0.000 0.985 217 D CA 0.661 54.517 54.000 -0.241 0.000 0.879 217 D CB 0.124 40.808 40.800 -0.194 0.000 0.919 217 D HN 0.215 nan 8.370 nan 0.000 0.526 218 L N -0.189 120.923 121.223 -0.185 0.000 2.591 218 L HA 0.150 4.490 4.340 -0.001 0.000 0.228 218 L C -0.025 176.953 176.870 0.179 0.000 1.133 218 L CA -0.020 54.766 54.840 -0.090 0.000 0.880 218 L CB -0.341 41.719 42.059 0.002 0.000 1.033 218 L HN -0.046 nan 8.230 nan 0.000 0.450 219 F N -4.105 115.846 119.950 0.002 0.000 2.741 219 F HA 0.546 5.073 4.527 -0.001 0.000 0.313 219 F C 0.387 176.217 175.800 0.049 0.000 1.153 219 F CA -1.346 56.682 58.000 0.047 0.000 0.931 219 F CB 1.161 40.185 39.000 0.039 0.000 1.335 219 F HN -0.381 nan 8.300 nan 0.000 0.460 220 R N 0.788 121.373 120.500 0.142 0.000 2.142 220 R HA 0.473 4.813 4.340 -0.001 0.000 0.204 220 R C -0.127 176.224 176.300 0.085 0.000 1.059 220 R CA 1.150 57.256 56.100 0.011 0.000 1.055 220 R CB 0.291 30.602 30.300 0.018 0.000 0.976 220 R HN 0.866 nan 8.270 nan 0.000 0.483 221 R N -1.716 118.955 120.500 0.284 0.000 2.781 221 R HA 0.787 5.127 4.340 -0.001 0.000 0.268 221 R C -1.718 174.833 176.300 0.418 0.000 1.047 221 R CA -0.758 55.519 56.100 0.295 0.000 0.925 221 R CB 0.943 31.257 30.300 0.023 0.000 1.246 221 R HN 0.027 nan 8.270 nan 0.000 0.456 222 A N 0.796 123.860 122.820 0.407 0.000 2.547 222 A HA 0.690 5.010 4.320 -0.001 0.000 0.297 222 A C -1.311 176.386 177.584 0.189 0.000 1.056 222 A CA -0.819 51.380 52.037 0.270 0.000 0.688 222 A CB 1.476 20.599 19.000 0.205 0.000 1.282 222 A HN 0.589 nan 8.150 nan 0.000 0.400 223 I N 1.830 122.469 120.570 0.114 0.000 2.436 223 I HA 0.439 4.609 4.170 -0.001 0.000 0.289 223 I C -1.404 174.759 176.117 0.076 0.000 1.010 223 I CA -0.658 60.637 61.300 -0.008 0.000 1.098 223 I CB 1.926 39.888 38.000 -0.064 0.000 1.266 223 I HN 0.447 nan 8.210 nan 0.000 0.434 224 L N 6.550 127.788 121.223 0.025 0.000 2.343 224 L HA 0.451 4.790 4.340 -0.001 0.000 0.278 224 L C -0.479 176.469 176.870 0.129 0.000 0.996 224 L CA -0.256 54.599 54.840 0.025 0.000 0.831 224 L CB 1.524 43.522 42.059 -0.102 0.000 1.232 224 L HN 0.494 nan 8.230 nan 0.000 0.413 225 Q N 1.817 121.745 119.800 0.214 0.000 2.347 225 Q HA 0.474 4.814 4.340 -0.001 0.000 0.262 225 Q C 0.066 176.188 176.000 0.204 0.000 0.980 225 Q CA -0.500 55.503 55.803 0.334 0.000 0.867 225 Q CB 1.444 30.474 28.738 0.488 0.000 1.242 225 Q HN 0.668 nan 8.270 nan 0.000 0.453 226 S N 1.019 116.823 115.700 0.172 0.000 3.641 226 S HA -0.172 4.297 4.470 -0.001 0.000 0.346 226 S C -0.010 174.728 174.600 0.231 0.000 1.074 226 S CA 0.589 58.908 58.200 0.197 0.000 1.026 226 S CB -1.130 62.211 63.200 0.235 0.000 0.908 226 S HN 0.959 nan 8.310 nan 0.000 0.479 227 G N -0.289 108.590 108.800 0.132 0.000 2.655 227 G HA2 0.638 4.597 3.960 -0.001 0.000 0.296 227 G HA3 0.638 4.597 3.960 -0.001 0.000 0.296 227 G C -0.997 173.850 174.900 -0.087 0.000 1.485 227 G CA 0.183 45.364 45.100 0.134 0.000 0.869 227 G HN 1.185 nan 8.290 nan 0.000 0.540 228 S N 1.068 116.645 115.700 -0.205 0.000 2.550 228 S HA 0.764 5.233 4.470 -0.001 0.000 0.270 228 S C -2.366 171.955 174.600 -0.465 0.000 1.145 228 S CA -1.024 56.916 58.200 -0.434 0.000 0.852 228 S CB 2.990 65.955 63.200 -0.392 0.000 1.119 228 S HN 0.377 nan 8.310 nan 0.000 0.465 229 P HA -0.069 nan 4.420 nan 0.000 0.221 229 P C 0.636 177.710 177.300 -0.376 0.000 1.150 229 P CA 1.131 64.004 63.100 -0.378 0.000 0.800 229 P CB -0.294 31.237 31.700 -0.282 0.000 0.787 230 N N -0.743 117.769 118.700 -0.314 0.000 2.383 230 N HA -0.027 4.713 4.740 -0.001 0.000 0.192 230 N C 0.161 175.445 175.510 -0.377 0.000 1.141 230 N CA -0.140 52.754 53.050 -0.261 0.000 0.851 230 N CB -1.422 37.027 38.487 -0.063 0.000 0.976 230 N HN 0.020 nan 8.380 nan 0.000 0.465 231 C N 2.900 121.867 119.300 -0.556 0.000 2.597 231 C HA 0.041 4.500 4.460 -0.001 0.000 0.412 231 C C -0.220 174.294 174.990 -0.794 0.000 1.348 231 C CA -0.823 57.721 59.018 -0.791 0.000 1.769 231 C CB 0.858 27.789 27.740 -1.348 0.000 2.641 231 C HN 0.370 nan 8.230 nan 0.000 0.612 232 P HA -0.091 nan 4.420 nan 0.000 0.222 232 P C 1.226 178.344 177.300 -0.303 0.000 1.147 232 P CA 1.671 64.510 63.100 -0.436 0.000 0.790 232 P CB -0.096 31.352 31.700 -0.419 0.000 0.780 233 W N -1.106 120.077 121.300 -0.196 0.000 3.197 233 W HA 0.536 5.195 4.660 -0.000 0.000 0.274 233 W C 1.067 177.640 176.519 0.091 0.000 1.297 233 W CA 0.381 57.691 57.345 -0.057 0.000 1.662 233 W CB -1.099 28.367 29.460 0.011 0.000 1.106 233 W HN -0.111 nan 8.180 nan 0.000 0.663 234 A N 1.259 123.803 122.820 -0.461 0.000 2.238 234 A HA 0.235 4.555 4.320 -0.001 0.000 0.210 234 A C 0.916 178.307 177.584 -0.322 0.000 1.179 234 A CA 0.943 52.793 52.037 -0.312 0.000 0.827 234 A CB -0.494 18.070 19.000 -0.726 0.000 0.856 234 A HN 0.193 nan 8.150 nan 0.000 0.488 235 S N -1.565 113.950 115.700 -0.308 0.000 2.588 235 S HA 0.658 5.127 4.470 -0.001 0.000 0.269 235 S C -0.790 173.677 174.600 -0.221 0.000 1.157 235 S CA -0.084 57.926 58.200 -0.316 0.000 0.824 235 S CB 1.335 64.290 63.200 -0.408 0.000 1.126 235 S HN 1.261 nan 8.310 nan 0.000 0.464 236 V N -0.965 118.839 119.914 -0.183 0.000 3.102 236 V HA 0.941 5.060 4.120 -0.001 0.000 0.312 236 V C 0.242 176.263 176.094 -0.123 0.000 1.135 236 V CA -0.480 61.738 62.300 -0.137 0.000 1.022 236 V CB 1.172 32.929 31.823 -0.109 0.000 1.056 236 V HN 1.484 nan 8.190 nan 0.000 0.436 237 S N 0.643 116.281 115.700 -0.103 0.000 2.600 237 S HA 0.302 4.772 4.470 -0.001 0.000 0.265 237 S C 0.980 175.534 174.600 -0.077 0.000 1.325 237 S CA 0.261 58.407 58.200 -0.090 0.000 1.002 237 S CB 1.324 64.480 63.200 -0.073 0.000 0.921 237 S HN 1.077 nan 8.310 nan 0.000 0.554 238 V N 1.807 121.667 119.914 -0.090 0.000 2.332 238 V HA -0.173 3.947 4.120 -0.001 0.000 0.248 238 V C 2.880 178.960 176.094 -0.025 0.000 1.055 238 V CA 2.427 64.677 62.300 -0.083 0.000 1.038 238 V CB -1.591 30.103 31.823 -0.214 0.000 0.651 238 V HN 1.024 nan 8.190 nan 0.000 0.450 239 A N -0.333 122.471 122.820 -0.027 0.000 1.902 239 A HA -0.259 4.060 4.320 -0.001 0.000 0.217 239 A C 2.162 179.729 177.584 -0.030 0.000 1.181 239 A CA 2.103 54.130 52.037 -0.016 0.000 0.623 239 A CB -0.497 18.493 19.000 -0.016 0.000 0.818 239 A HN 0.589 nan 8.150 nan 0.000 0.443 240 E N 0.000 120.172 120.200 -0.047 0.000 2.106 240 E HA -0.004 4.346 4.350 -0.001 0.000 0.192 240 E C 1.968 178.529 176.600 -0.065 0.000 0.984 240 E CA 1.460 57.819 56.400 -0.069 0.000 0.806 240 E CB -0.784 28.865 29.700 -0.085 0.000 0.750 240 E HN 0.383 nan 8.360 nan 0.000 0.458 241 G N 0.759 109.534 108.800 -0.042 0.000 2.446 241 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.217 241 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.217 241 G C 1.748 176.657 174.900 0.016 0.000 1.168 241 G CA 0.902 45.999 45.100 -0.006 0.000 0.771 241 G HN 0.314 nan 8.290 nan 0.000 0.551 242 R N 0.235 120.742 120.500 0.011 0.000 2.080 242 R HA -0.074 4.265 4.340 -0.001 0.000 0.236 242 R C 2.608 178.906 176.300 -0.004 0.000 1.137 242 R CA 1.710 57.817 56.100 0.011 0.000 0.943 242 R CB -0.397 29.914 30.300 0.019 0.000 0.846 242 R HN 0.308 nan 8.270 nan 0.000 0.431 243 R N 0.347 120.834 120.500 -0.022 0.000 2.103 243 R HA -0.167 4.173 4.340 -0.001 0.000 0.242 243 R C 2.241 178.516 176.300 -0.040 0.000 1.142 243 R CA 2.013 58.091 56.100 -0.037 0.000 0.960 243 R CB -0.104 30.161 30.300 -0.058 0.000 0.858 243 R HN 0.302 nan 8.270 nan 0.000 0.439 244 R N -0.461 120.008 120.500 -0.052 0.000 2.115 244 R HA -0.022 4.318 4.340 -0.001 0.000 0.226 244 R C 2.312 178.658 176.300 0.076 0.000 1.100 244 R CA 1.101 57.163 56.100 -0.063 0.000 0.980 244 R CB -0.220 29.948 30.300 -0.218 0.000 0.875 244 R HN 0.234 nan 8.270 nan 0.000 0.445 245 A N 0.790 123.673 122.820 0.105 0.000 1.898 245 A HA -0.100 4.219 4.320 -0.001 0.000 0.216 245 A C 2.332 179.921 177.584 0.008 0.000 1.181 245 A CA 1.271 53.352 52.037 0.074 0.000 0.620 245 A CB -0.491 18.497 19.000 -0.020 0.000 0.819 245 A HN 0.096 nan 8.150 nan 0.000 0.442 246 V N 0.047 119.961 119.914 -0.001 0.000 2.295 246 V HA -0.241 3.878 4.120 -0.001 0.000 0.246 246 V C 2.597 178.692 176.094 0.002 0.000 1.049 246 V CA 2.407 64.703 62.300 -0.007 0.000 1.024 246 V CB -0.751 31.066 31.823 -0.009 0.000 0.648 246 V HN 0.686 nan 8.190 nan 0.000 0.447 247 E N 0.214 120.416 120.200 0.003 0.000 2.110 247 E HA -0.230 4.119 4.350 -0.001 0.000 0.193 247 E C 1.914 178.531 176.600 0.029 0.000 0.988 247 E CA 1.260 57.663 56.400 0.005 0.000 0.804 247 E CB -0.419 29.269 29.700 -0.019 0.000 0.745 247 E HN 0.455 nan 8.360 nan 0.000 0.458 248 L N -0.271 120.989 121.223 0.062 0.000 2.017 248 L HA 0.002 4.342 4.340 -0.001 0.000 0.208 248 L C 2.217 179.104 176.870 0.029 0.000 1.073 248 L CA 2.337 57.224 54.840 0.079 0.000 0.745 248 L CB -1.070 41.067 42.059 0.130 0.000 0.894 248 L HN 0.252 nan 8.230 nan 0.000 0.432 249 G N -0.926 107.877 108.800 0.005 0.000 2.476 249 G HA2 -0.370 3.590 3.960 -0.001 0.000 0.218 249 G HA3 -0.370 3.590 3.960 -0.001 0.000 0.218 249 G C 1.794 176.703 174.900 0.014 0.000 1.164 249 G CA 0.958 46.059 45.100 0.001 0.000 0.768 249 G HN 0.400 nan 8.290 nan 0.000 0.560 250 R N 0.370 120.878 120.500 0.014 0.000 2.103 250 R HA -0.087 4.253 4.340 -0.001 0.000 0.242 250 R C 2.327 178.641 176.300 0.023 0.000 1.142 250 R CA 1.515 57.625 56.100 0.016 0.000 0.960 250 R CB -0.341 29.965 30.300 0.011 0.000 0.858 250 R HN 0.358 nan 8.270 nan 0.000 0.439 251 N N 0.142 118.860 118.700 0.030 0.000 2.364 251 N HA -0.133 4.607 4.740 -0.001 0.000 0.183 251 N C 0.905 176.439 175.510 0.040 0.000 1.022 251 N CA 0.915 53.988 53.050 0.039 0.000 0.883 251 N CB 0.142 38.660 38.487 0.051 0.000 0.965 251 N HN 0.286 nan 8.380 nan 0.000 0.438 252 L N 0.250 121.494 121.223 0.035 0.000 2.910 252 L HA 0.192 4.532 4.340 -0.001 0.000 0.252 252 L C -0.489 176.400 176.870 0.032 0.000 1.195 252 L CA -0.093 54.767 54.840 0.035 0.000 1.003 252 L CB -0.170 41.909 42.059 0.032 0.000 1.328 252 L HN 0.037 nan 8.230 nan 0.000 0.540 253 N N -1.376 117.342 118.700 0.029 0.000 2.740 253 N HA -0.180 4.559 4.740 -0.001 0.000 0.248 253 N C -0.194 175.334 175.510 0.030 0.000 1.062 253 N CA 0.233 53.299 53.050 0.028 0.000 0.704 253 N CB -1.774 36.730 38.487 0.028 0.000 0.968 253 N HN 0.263 nan 8.380 nan 0.000 0.547 254 c N 0.710 119.327 118.600 0.028 0.000 2.534 254 c HA 0.252 4.822 4.570 -0.001 0.000 0.385 254 c C 1.277 175.386 174.090 0.031 0.000 1.264 254 c CA -1.001 55.348 56.329 0.033 0.000 2.342 254 c CB 0.660 43.187 42.510 0.029 0.000 2.564 254 c HN 0.468 nan 8.230 nan 0.000 0.603 255 N N 1.779 120.503 118.700 0.040 0.000 2.440 255 N HA 0.057 4.797 4.740 -0.001 0.000 0.265 255 N C 0.056 175.581 175.510 0.025 0.000 1.239 255 N CA 0.331 53.400 53.050 0.031 0.000 0.909 255 N CB 0.398 38.906 38.487 0.036 0.000 1.066 255 N HN 0.616 nan 8.380 nan 0.000 0.474 256 L N 2.914 124.147 121.223 0.016 0.000 2.818 256 L HA 0.192 4.532 4.340 -0.001 0.000 0.243 256 L C 1.234 178.108 176.870 0.007 0.000 1.185 256 L CA -0.291 54.555 54.840 0.010 0.000 0.988 256 L CB -0.150 41.913 42.059 0.006 0.000 1.292 256 L HN 0.416 nan 8.230 nan 0.000 0.519 257 N N 0.538 119.242 118.700 0.008 0.000 2.396 257 N HA -0.050 4.690 4.740 -0.001 0.000 0.180 257 N C 0.686 176.197 175.510 0.002 0.000 1.028 257 N CA 0.720 53.772 53.050 0.004 0.000 0.893 257 N CB 0.315 38.803 38.487 0.003 0.000 0.967 257 N HN 0.447 nan 8.380 nan 0.000 0.440 258 S N -1.505 114.198 115.700 0.004 0.000 2.596 258 S HA 0.341 4.810 4.470 -0.001 0.000 0.270 258 S C -0.031 174.572 174.600 0.004 0.000 1.155 258 S CA -0.861 57.340 58.200 0.002 0.000 0.827 258 S CB 1.793 64.993 63.200 0.001 0.000 1.130 258 S HN -0.247 nan 8.310 nan 0.000 0.467 259 D N 1.293 121.693 120.400 -0.000 0.000 2.116 259 D HA -0.151 4.489 4.640 -0.001 0.000 0.193 259 D C 1.604 177.912 176.300 0.013 0.000 0.998 259 D CA 2.050 56.048 54.000 -0.003 0.000 0.836 259 D CB -0.242 40.554 40.800 -0.008 0.000 0.951 259 D HN 0.847 nan 8.370 nan 0.000 0.449 260 E N 0.529 120.741 120.200 0.020 0.000 2.077 260 E HA -0.188 4.162 4.350 -0.001 0.000 0.193 260 E C 1.817 178.454 176.600 0.061 0.000 0.989 260 E CA 1.027 57.450 56.400 0.039 0.000 0.800 260 E CB 0.183 29.895 29.700 0.021 0.000 0.746 260 E HN 0.236 nan 8.360 nan 0.000 0.452 261 E N 0.414 120.636 120.200 0.038 0.000 2.051 261 E HA -0.200 4.149 4.350 -0.001 0.000 0.192 261 E C 2.268 178.921 176.600 0.087 0.000 0.991 261 E CA 0.832 57.263 56.400 0.053 0.000 0.799 261 E CB -0.309 29.406 29.700 0.024 0.000 0.748 261 E HN 0.276 nan 8.360 nan 0.000 0.449 262 L N 1.387 122.638 121.223 0.048 0.000 1.994 262 L HA -0.142 4.197 4.340 -0.001 0.000 0.208 262 L C 2.259 179.148 176.870 0.033 0.000 1.071 262 L CA 1.495 56.350 54.840 0.026 0.000 0.745 262 L CB -0.547 41.505 42.059 -0.013 0.000 0.892 262 L HN 0.036 nan 8.230 nan 0.000 0.431 263 I N -0.949 119.645 120.570 0.040 0.000 2.226 263 I HA -0.325 3.845 4.170 -0.001 0.000 0.245 263 I C 2.619 178.824 176.117 0.147 0.000 1.100 263 I CA 1.500 62.844 61.300 0.073 0.000 1.374 263 I CB -0.683 37.364 38.000 0.078 0.000 1.057 263 I HN 0.482 nan 8.210 nan 0.000 0.413 264 H N 0.540 119.648 119.070 0.063 0.000 2.319 264 H HA -0.280 4.276 4.556 -0.001 0.000 0.299 264 H C 2.473 177.837 175.328 0.061 0.000 1.092 264 H CA 2.359 58.443 56.048 0.060 0.000 1.302 264 H CB -0.212 29.573 29.762 0.038 0.000 1.373 264 H HN 0.512 nan 8.280 nan 0.000 0.497 265 c N 0.938 119.589 118.600 0.085 0.000 2.432 265 c HA -0.096 4.474 4.570 -0.001 0.000 0.277 265 c C 3.077 177.165 174.090 -0.002 0.000 1.249 265 c CA 0.882 57.227 56.329 0.028 0.000 1.725 265 c CB -1.416 41.141 42.510 0.079 0.000 2.028 265 c HN 0.577 nan 8.230 nan 0.000 0.477 266 L N 0.186 121.440 121.223 0.052 0.000 2.191 266 L HA -0.081 4.259 4.340 -0.001 0.000 0.212 266 L C 2.967 179.926 176.870 0.148 0.000 1.103 266 L CA 1.389 56.300 54.840 0.118 0.000 0.769 266 L CB -0.667 41.469 42.059 0.129 0.000 0.908 266 L HN 0.357 nan 8.230 nan 0.000 0.438 267 R N -0.457 120.096 120.500 0.088 0.000 2.193 267 R HA -0.080 4.260 4.340 -0.001 0.000 0.213 267 R C 1.890 178.134 176.300 -0.095 0.000 1.055 267 R CA 0.511 56.592 56.100 -0.032 0.000 0.995 267 R CB 0.060 30.332 30.300 -0.045 0.000 0.893 267 R HN 0.263 nan 8.270 nan 0.000 0.459 268 E N 0.707 120.831 120.200 -0.128 0.000 2.299 268 E HA -0.007 4.342 4.350 -0.001 0.000 0.193 268 E C 0.103 176.682 176.600 -0.036 0.000 0.998 268 E CA 0.687 57.022 56.400 -0.107 0.000 0.851 268 E CB 0.194 29.811 29.700 -0.139 0.000 0.795 268 E HN 0.065 nan 8.360 nan 0.000 0.492 269 K N 1.587 121.981 120.400 -0.010 0.000 2.295 269 K HA 0.140 4.459 4.320 -0.001 0.000 0.270 269 K C 0.354 176.978 176.600 0.041 0.000 1.011 269 K CA -0.141 56.160 56.287 0.022 0.000 0.953 269 K CB 0.676 33.197 32.500 0.035 0.000 0.956 269 K HN -0.122 nan 8.250 nan 0.000 0.477 270 K N 2.464 122.895 120.400 0.052 0.000 2.380 270 K HA -0.009 4.311 4.320 -0.001 0.000 0.267 270 K C -1.493 175.187 176.600 0.133 0.000 0.990 270 K CA -1.141 55.188 56.287 0.071 0.000 0.946 270 K CB 0.151 32.685 32.500 0.057 0.000 0.937 270 K HN 0.208 nan 8.250 nan 0.000 0.491 271 P HA -0.213 nan 4.420 nan 0.000 0.215 271 P C 0.943 178.438 177.300 0.327 0.000 1.153 271 P CA 1.147 64.463 63.100 0.360 0.000 0.853 271 P CB 0.256 32.035 31.700 0.132 0.000 0.788 272 Q N 0.264 120.175 119.800 0.185 0.000 2.226 272 Q HA -0.177 4.163 4.340 -0.001 0.000 0.204 272 Q C 1.878 177.974 176.000 0.160 0.000 0.975 272 Q CA 1.586 57.489 55.803 0.167 0.000 0.866 272 Q CB -0.798 28.006 28.738 0.110 0.000 0.915 272 Q HN 0.341 nan 8.270 nan 0.000 0.440 273 E N -0.811 119.469 120.200 0.133 0.000 2.106 273 E HA -0.169 4.180 4.350 -0.001 0.000 0.192 273 E C 1.613 178.277 176.600 0.106 0.000 0.984 273 E CA 0.983 57.447 56.400 0.106 0.000 0.806 273 E CB -0.014 29.733 29.700 0.078 0.000 0.750 273 E HN 0.249 nan 8.360 nan 0.000 0.458 274 L N 0.593 121.878 121.223 0.103 0.000 2.027 274 L HA -0.145 4.194 4.340 -0.001 0.000 0.206 274 L C 2.232 179.169 176.870 0.111 0.000 1.074 274 L CA 1.403 56.265 54.840 0.038 0.000 0.745 274 L CB -0.436 41.535 42.059 -0.147 0.000 0.898 274 L HN 0.135 nan 8.230 nan 0.000 0.433 275 I N -0.477 120.221 120.570 0.214 0.000 2.226 275 I HA -0.295 3.874 4.170 -0.001 0.000 0.245 275 I C 1.906 178.201 176.117 0.297 0.000 1.100 275 I CA 1.118 62.594 61.300 0.292 0.000 1.374 275 I CB -0.447 37.768 38.000 0.358 0.000 1.057 275 I HN 0.254 nan 8.210 nan 0.000 0.413 276 D N 0.299 120.844 120.400 0.241 0.000 2.221 276 D HA -0.120 4.519 4.640 -0.001 0.000 0.204 276 D C 1.897 178.328 176.300 0.218 0.000 0.982 276 D CA 1.494 55.633 54.000 0.231 0.000 0.857 276 D CB 0.053 40.952 40.800 0.165 0.000 0.934 276 D HN 0.407 nan 8.370 nan 0.000 0.475 277 V N -2.478 117.544 119.914 0.179 0.000 3.477 277 V HA 0.197 4.317 4.120 -0.001 0.000 0.297 277 V C 1.764 177.944 176.094 0.144 0.000 1.433 277 V CA 0.072 62.464 62.300 0.153 0.000 1.052 277 V CB 0.330 32.218 31.823 0.109 0.000 0.895 277 V HN -0.053 nan 8.190 nan 0.000 0.438 278 E N 0.856 121.135 120.200 0.132 0.000 2.097 278 E HA -0.274 4.076 4.350 -0.001 0.000 0.196 278 E C 1.565 178.081 176.600 -0.141 0.000 1.000 278 E CA 2.540 58.967 56.400 0.045 0.000 0.804 278 E CB -0.264 29.403 29.700 -0.055 0.000 0.740 278 E HN 0.799 nan 8.360 nan 0.000 0.454 279 W N 0.799 122.105 121.300 0.010 0.000 2.800 279 W HA 0.048 4.708 4.660 -0.001 0.000 0.249 279 W C 1.579 178.066 176.519 -0.054 0.000 1.294 279 W CA 0.017 57.319 57.345 -0.073 0.000 1.402 279 W CB 0.067 29.449 29.460 -0.131 0.000 1.126 279 W HN 0.098 nan 8.180 nan 0.000 0.652 280 N N 0.157 118.944 118.700 0.145 0.000 2.550 280 N HA -0.092 4.648 4.740 -0.001 0.000 0.186 280 N C 1.691 177.210 175.510 0.016 0.000 1.110 280 N CA 1.348 54.447 53.050 0.082 0.000 0.912 280 N CB -0.421 38.113 38.487 0.079 0.000 0.968 280 N HN 0.260 nan 8.380 nan 0.000 0.448 281 V N -2.352 117.539 119.914 -0.038 0.000 3.647 281 V HA 0.266 4.386 4.120 -0.001 0.000 0.279 281 V C 0.750 176.749 176.094 -0.158 0.000 1.314 281 V CA -0.128 62.111 62.300 -0.103 0.000 1.125 281 V CB -0.577 31.162 31.823 -0.139 0.000 0.907 281 V HN -0.038 nan 8.190 nan 0.000 0.434 282 L N 2.383 123.530 121.223 -0.127 0.000 2.485 282 L HA 0.209 4.549 4.340 -0.001 0.000 0.275 282 L C -0.344 176.408 176.870 -0.195 0.000 1.207 282 L CA -0.834 53.921 54.840 -0.141 0.000 0.855 282 L CB 0.577 42.614 42.059 -0.036 0.000 1.114 282 L HN 0.158 nan 8.230 nan 0.000 0.485 283 P HA -0.028 nan 4.420 nan 0.000 0.224 283 P C -0.228 176.676 177.300 -0.660 0.000 1.157 283 P CA 1.078 63.812 63.100 -0.610 0.000 0.799 283 P CB 0.292 31.405 31.700 -0.979 0.000 0.809 284 F N -0.481 119.467 119.950 -0.004 0.000 2.593 284 F HA 0.385 4.911 4.527 -0.001 0.000 0.320 284 F C 0.459 176.261 175.800 0.004 0.000 1.060 284 F CA -1.781 56.221 58.000 0.004 0.000 0.940 284 F CB 0.136 39.143 39.000 0.012 0.000 1.268 284 F HN -0.361 nan 8.300 nan 0.000 0.475 285 D N 1.473 122.001 120.400 0.213 0.000 2.382 285 D HA 0.360 4.999 4.640 -0.001 0.000 0.259 285 D C -0.648 175.717 176.300 0.110 0.000 1.224 285 D CA 0.557 54.626 54.000 0.115 0.000 0.894 285 D CB 0.281 41.128 40.800 0.078 0.000 1.127 285 D HN 0.626 nan 8.370 nan 0.000 0.487 286 S N 2.844 118.593 115.700 0.081 0.000 2.565 286 S HA 0.656 5.126 4.470 -0.001 0.000 0.269 286 S C -0.330 174.287 174.600 0.028 0.000 1.153 286 S CA -1.060 57.181 58.200 0.069 0.000 0.835 286 S CB 0.751 64.025 63.200 0.124 0.000 1.122 286 S HN 0.451 nan 8.310 nan 0.000 0.462 287 I N -1.806 118.777 120.570 0.021 0.000 2.797 287 I HA 0.800 4.970 4.170 -0.001 0.000 0.307 287 I C -0.136 175.994 176.117 0.021 0.000 1.033 287 I CA -1.051 60.260 61.300 0.018 0.000 1.071 287 I CB 1.055 39.078 38.000 0.039 0.000 1.255 287 I HN 0.812 nan 8.210 nan 0.000 0.445 288 F N 1.840 121.633 119.950 -0.262 0.000 3.080 288 F HA -0.176 4.351 4.527 -0.001 0.000 0.292 288 F C -0.376 174.914 175.800 -0.851 0.000 0.891 288 F CA 0.554 58.167 58.000 -0.646 0.000 1.086 288 F CB -0.657 37.941 39.000 -0.671 0.000 1.095 288 F HN 0.608 nan 8.300 nan 0.000 0.633 289 R N 0.474 120.592 120.500 -0.637 0.000 2.628 289 R HA 0.655 4.995 4.340 -0.001 0.000 0.288 289 R C -0.919 175.031 176.300 -0.582 0.000 0.980 289 R CA -0.533 55.254 56.100 -0.521 0.000 0.891 289 R CB 1.359 31.598 30.300 -0.102 0.000 1.188 289 R HN 0.001 nan 8.270 nan 0.000 0.450 290 F N -0.866 119.194 119.950 0.182 0.000 2.577 290 F HA 0.394 4.920 4.527 -0.001 0.000 0.318 290 F C 1.516 177.230 175.800 -0.144 0.000 1.065 290 F CA -0.868 57.150 58.000 0.030 0.000 0.929 290 F CB 1.683 40.819 39.000 0.227 0.000 1.237 290 F HN 0.336 nan 8.300 nan 0.000 0.468 291 S N 0.405 115.955 115.700 -0.251 0.000 2.335 291 S HA 0.025 4.494 4.470 -0.001 0.000 0.217 291 S C 0.063 174.232 174.600 -0.718 0.000 1.032 291 S CA 1.065 58.909 58.200 -0.594 0.000 0.985 291 S CB -0.206 62.455 63.200 -0.899 0.000 0.896 291 S HN 0.344 nan 8.310 nan 0.000 0.445 292 F N 2.104 122.065 119.950 0.017 0.000 2.308 292 F HA 0.535 5.061 4.527 -0.001 0.000 0.370 292 F C 0.063 175.884 175.800 0.035 0.000 1.100 292 F CA -0.999 57.046 58.000 0.075 0.000 1.108 292 F CB 0.869 39.954 39.000 0.142 0.000 1.293 292 F HN -0.078 nan 8.300 nan 0.000 0.478 293 V N 0.782 120.680 119.914 -0.027 0.000 3.158 293 V HA 0.756 4.876 4.120 -0.001 0.000 0.311 293 V C -2.839 172.943 176.094 -0.519 0.000 1.181 293 V CA -3.404 58.597 62.300 -0.498 0.000 1.054 293 V CB 1.929 33.598 31.823 -0.256 0.000 1.085 293 V HN 0.240 nan 8.190 nan 0.000 0.446 294 P HA 0.122 nan 4.420 nan 0.000 0.266 294 P C -0.789 176.423 177.300 -0.147 0.000 1.186 294 P CA 0.463 63.354 63.100 -0.350 0.000 0.767 294 P CB 0.515 31.936 31.700 -0.464 0.000 0.820 295 V N 5.008 124.937 119.914 0.025 0.000 2.555 295 V HA 0.317 4.436 4.120 -0.001 0.000 0.302 295 V C -0.345 175.807 176.094 0.098 0.000 1.038 295 V CA -0.936 61.373 62.300 0.014 0.000 0.887 295 V CB 1.235 33.078 31.823 0.033 0.000 0.991 295 V HN 0.248 nan 8.190 nan 0.000 0.434 296 I N 7.193 127.754 120.570 -0.016 0.000 2.357 296 I HA 0.231 4.400 4.170 -0.001 0.000 0.300 296 I C 0.780 176.906 176.117 0.014 0.000 1.159 296 I CA 0.229 61.543 61.300 0.023 0.000 1.339 296 I CB 0.114 38.045 38.000 -0.115 0.000 1.458 296 I HN 0.812 nan 8.210 nan 0.000 0.577 297 D N 3.177 123.644 120.400 0.111 0.000 2.407 297 D HA 0.083 4.723 4.640 -0.001 0.000 0.208 297 D C 1.345 177.636 176.300 -0.015 0.000 1.083 297 D CA 0.524 54.484 54.000 -0.067 0.000 0.844 297 D CB 0.551 41.391 40.800 0.066 0.000 0.967 297 D HN 0.626 nan 8.370 nan 0.000 0.506 298 G N 0.750 109.598 108.800 0.081 0.000 2.162 298 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.260 298 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.260 298 G C 0.587 175.551 174.900 0.106 0.000 0.976 298 G CA 0.833 45.989 45.100 0.093 0.000 0.655 298 G HN 0.547 nan 8.290 nan 0.000 0.533 299 E N -1.762 118.511 120.200 0.120 0.000 3.312 299 E HA 0.346 4.696 4.350 -0.001 0.000 0.178 299 E C 1.766 178.382 176.600 0.027 0.000 1.204 299 E CA -0.090 56.361 56.400 0.085 0.000 1.335 299 E CB -0.196 29.576 29.700 0.119 0.000 1.680 299 E HN 0.226 nan 8.360 nan 0.000 0.503 300 F N 0.901 120.769 119.950 -0.138 0.000 2.095 300 F HA 0.039 4.566 4.527 -0.001 0.000 0.298 300 F C 0.158 175.640 175.800 -0.530 0.000 1.104 300 F CA 1.241 59.018 58.000 -0.372 0.000 1.232 300 F CB 0.211 38.895 39.000 -0.527 0.000 0.987 300 F HN -0.046 nan 8.300 nan 0.000 0.475 301 F N 1.494 121.592 119.950 0.246 0.000 2.375 301 F HA 0.349 4.876 4.527 -0.001 0.000 0.361 301 F C -1.511 174.325 175.800 0.061 0.000 1.117 301 F CA -2.895 55.183 58.000 0.130 0.000 1.037 301 F CB 0.537 39.612 39.000 0.125 0.000 1.192 301 F HN -0.218 nan 8.300 nan 0.000 0.452 302 P HA -0.038 nan 4.420 nan 0.000 0.219 302 P C 0.360 177.716 177.300 0.094 0.000 1.150 302 P CA 1.146 64.303 63.100 0.094 0.000 0.814 302 P CB 0.342 32.069 31.700 0.046 0.000 0.787 303 T N -4.449 110.171 114.554 0.109 0.000 2.696 303 T HA 0.428 4.778 4.350 -0.001 0.000 0.291 303 T C -0.256 174.483 174.700 0.064 0.000 1.095 303 T CA -0.597 61.545 62.100 0.070 0.000 1.026 303 T CB 0.996 69.890 68.868 0.045 0.000 1.390 303 T HN 0.037 nan 8.240 nan 0.000 0.513 304 S N 0.191 115.905 115.700 0.023 0.000 2.558 304 S HA 0.105 4.575 4.470 -0.001 0.000 0.287 304 S C 1.541 176.138 174.600 -0.004 0.000 1.321 304 S CA -0.625 57.567 58.200 -0.014 0.000 1.048 304 S CB -0.419 62.769 63.200 -0.021 0.000 0.844 304 S HN 0.670 nan 8.310 nan 0.000 0.512 305 L N 0.673 121.856 121.223 -0.067 0.000 2.042 305 L HA -0.142 4.198 4.340 -0.001 0.000 0.210 305 L C 2.930 179.828 176.870 0.046 0.000 1.076 305 L CA 2.067 56.884 54.840 -0.039 0.000 0.749 305 L CB -0.791 41.183 42.059 -0.141 0.000 0.893 305 L HN 0.824 nan 8.230 nan 0.000 0.432 306 E N 0.613 120.835 120.200 0.037 0.000 2.077 306 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 306 E C 2.262 178.917 176.600 0.093 0.000 0.989 306 E CA 1.701 58.157 56.400 0.093 0.000 0.800 306 E CB -0.075 29.668 29.700 0.071 0.000 0.746 306 E HN 0.483 nan 8.360 nan 0.000 0.452 307 S N -0.366 115.370 115.700 0.060 0.000 2.383 307 S HA -0.173 4.297 4.470 -0.001 0.000 0.227 307 S C 2.119 176.753 174.600 0.058 0.000 1.026 307 S CA 1.280 59.512 58.200 0.053 0.000 0.981 307 S CB -0.407 62.812 63.200 0.032 0.000 0.818 307 S HN 0.267 nan 8.310 nan 0.000 0.472 308 M N 1.086 120.735 119.600 0.082 0.000 2.080 308 M HA -0.015 4.465 4.480 -0.001 0.000 0.260 308 M C 2.286 178.706 176.300 0.201 0.000 1.068 308 M CA 1.540 56.910 55.300 0.117 0.000 1.109 308 M CB -0.765 31.940 32.600 0.176 0.000 1.342 308 M HN 0.299 nan 8.290 nan 0.000 0.405 309 L N -0.027 121.334 121.223 0.229 0.000 2.046 309 L HA -0.230 4.110 4.340 -0.001 0.000 0.208 309 L C 2.275 179.294 176.870 0.249 0.000 1.077 309 L CA 0.962 55.972 54.840 0.283 0.000 0.747 309 L CB -0.824 41.316 42.059 0.135 0.000 0.896 309 L HN 0.364 nan 8.230 nan 0.000 0.432 310 N N -0.228 118.563 118.700 0.151 0.000 2.166 310 N HA -0.143 4.597 4.740 -0.001 0.000 0.186 310 N C 1.948 177.515 175.510 0.094 0.000 1.019 310 N CA 1.762 54.896 53.050 0.140 0.000 0.856 310 N CB -0.139 38.412 38.487 0.106 0.000 0.993 310 N HN 0.360 nan 8.380 nan 0.000 0.426 311 S N -1.402 114.269 115.700 -0.049 0.000 2.548 311 S HA 0.269 4.739 4.470 -0.001 0.000 0.215 311 S C 1.286 175.502 174.600 -0.641 0.000 0.976 311 S CA 0.448 58.541 58.200 -0.177 0.000 0.908 311 S CB 0.373 63.501 63.200 -0.119 0.000 0.781 311 S HN 0.381 nan 8.310 nan 0.000 0.519 312 G N 1.923 110.085 108.800 -1.064 0.000 2.147 312 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.244 312 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.244 312 G C -0.048 173.970 174.900 -1.468 0.000 1.005 312 G CA 0.024 43.835 45.100 -2.148 0.000 0.713 312 G HN 0.567 nan 8.290 nan 0.000 0.515 313 N N 0.651 118.913 118.700 -0.731 0.000 3.050 313 N HA 0.521 5.260 4.740 -0.001 0.000 0.289 313 N C -0.185 175.255 175.510 -0.117 0.000 1.209 313 N CA -0.132 52.701 53.050 -0.362 0.000 1.154 313 N CB -0.865 37.539 38.487 -0.139 0.000 1.444 313 N HN 0.705 nan 8.380 nan 0.000 0.529 314 F N -1.216 118.675 119.950 -0.098 0.000 2.770 314 F HA 0.391 4.918 4.527 -0.000 0.000 0.313 314 F C -0.344 175.468 175.800 0.021 0.000 1.154 314 F CA -1.422 56.591 58.000 0.022 0.000 0.923 314 F CB 0.614 39.690 39.000 0.127 0.000 1.301 314 F HN -0.176 nan 8.300 nan 0.000 0.449 315 K N 1.932 122.570 120.400 0.396 0.000 2.451 315 K HA 0.191 4.511 4.320 -0.001 0.000 0.280 315 K C -1.007 175.837 176.600 0.406 0.000 1.020 315 K CA -0.125 56.316 56.287 0.257 0.000 1.008 315 K CB 0.504 33.102 32.500 0.165 0.000 0.917 315 K HN 0.763 nan 8.250 nan 0.000 0.478 316 K N 3.042 123.562 120.400 0.199 0.000 2.263 316 K HA 0.194 4.514 4.320 -0.001 0.000 0.272 316 K C -0.302 176.422 176.600 0.206 0.000 1.033 316 K CA -0.421 55.988 56.287 0.204 0.000 0.884 316 K CB 1.860 34.389 32.500 0.048 0.000 1.107 316 K HN 0.645 nan 8.250 nan 0.000 0.460 317 T N 1.380 116.140 114.554 0.344 0.000 2.647 317 T HA 0.196 4.545 4.350 -0.001 0.000 0.302 317 T C -1.537 173.363 174.700 0.334 0.000 1.389 317 T CA -0.638 61.613 62.100 0.251 0.000 1.037 317 T CB 0.924 69.906 68.868 0.190 0.000 1.755 317 T HN 0.426 nan 8.240 nan 0.000 0.467 318 Q N 1.039 120.999 119.800 0.267 0.000 2.222 318 Q HA 0.752 5.091 4.340 -0.001 0.000 0.252 318 Q C -0.397 175.887 176.000 0.472 0.000 0.926 318 Q CA -0.478 55.538 55.803 0.356 0.000 0.899 318 Q CB 1.408 30.323 28.738 0.295 0.000 1.250 318 Q HN 0.669 nan 8.270 nan 0.000 0.441 319 I N -1.278 119.520 120.570 0.380 0.000 2.730 319 I HA 0.706 4.876 4.170 -0.001 0.000 0.298 319 I C -1.505 174.490 176.117 -0.204 0.000 1.089 319 I CA -1.340 60.038 61.300 0.131 0.000 1.041 319 I CB 1.823 39.731 38.000 -0.153 0.000 1.235 319 I HN 0.549 nan 8.210 nan 0.000 0.423 320 L N 7.092 127.954 121.223 -0.602 0.000 2.385 320 L HA 0.827 5.166 4.340 -0.001 0.000 0.273 320 L C -1.371 175.286 176.870 -0.356 0.000 0.990 320 L CA -0.598 53.791 54.840 -0.751 0.000 0.821 320 L CB 1.767 42.837 42.059 -1.650 0.000 1.279 320 L HN 0.885 nan 8.230 nan 0.000 0.412 321 L N 2.448 123.601 121.223 -0.117 0.000 2.775 321 L HA 1.087 5.427 4.340 -0.001 0.000 0.263 321 L C -0.825 175.877 176.870 -0.280 0.000 1.017 321 L CA -0.292 54.512 54.840 -0.059 0.000 0.891 321 L CB 1.794 43.798 42.059 -0.091 0.000 1.482 321 L HN 0.714 nan 8.230 nan 0.000 0.410 322 G N -0.006 108.417 108.800 -0.628 0.000 2.341 322 G HA2 0.574 4.534 3.960 -0.001 0.000 0.299 322 G HA3 0.574 4.534 3.960 -0.001 0.000 0.299 322 G C -1.509 173.033 174.900 -0.596 0.000 1.274 322 G CA 0.045 44.504 45.100 -1.067 0.000 0.853 322 G HN 1.656 nan 8.290 nan 0.000 0.493 323 V N -2.538 117.160 119.914 -0.359 0.000 3.181 323 V HA 0.884 5.004 4.120 -0.001 0.000 0.308 323 V C -1.130 175.042 176.094 0.130 0.000 1.214 323 V CA -1.364 60.951 62.300 0.025 0.000 1.053 323 V CB 1.853 33.725 31.823 0.082 0.000 1.069 323 V HN 0.724 nan 8.190 nan 0.000 0.441 324 N N 0.953 119.741 118.700 0.148 0.000 2.472 324 N HA 0.435 5.174 4.740 -0.001 0.000 0.289 324 N C 0.562 176.013 175.510 -0.098 0.000 1.156 324 N CA -0.543 52.569 53.050 0.103 0.000 0.940 324 N CB 1.754 40.399 38.487 0.263 0.000 1.200 324 N HN 0.922 nan 8.380 nan 0.000 0.511 325 K N 0.074 120.311 120.400 -0.271 0.000 2.057 325 K HA -0.077 4.243 4.320 -0.001 0.000 0.207 325 K C -0.650 176.026 176.600 0.127 0.000 1.049 325 K CA 1.261 57.455 56.287 -0.155 0.000 0.931 325 K CB 0.181 32.630 32.500 -0.086 0.000 0.714 325 K HN 0.511 nan 8.250 nan 0.000 0.440 326 D N 1.351 121.832 120.400 0.135 0.000 2.683 326 D HA 0.045 4.684 4.640 -0.001 0.000 0.309 326 D C 0.188 176.612 176.300 0.206 0.000 1.238 326 D CA -0.078 54.028 54.000 0.177 0.000 0.936 326 D CB 1.319 42.211 40.800 0.152 0.000 1.001 326 D HN 0.158 nan 8.370 nan 0.000 0.505 327 E N 0.414 120.750 120.200 0.228 0.000 2.150 327 E HA -0.087 4.262 4.350 -0.001 0.000 0.193 327 E C 1.960 178.748 176.600 0.313 0.000 0.985 327 E CA 0.480 57.052 56.400 0.285 0.000 0.814 327 E CB 0.181 30.030 29.700 0.247 0.000 0.752 327 E HN 0.422 nan 8.360 nan 0.000 0.466 328 G N 1.135 110.089 108.800 0.257 0.000 2.623 328 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.214 328 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.214 328 G C 1.730 176.804 174.900 0.289 0.000 1.138 328 G CA 0.817 46.086 45.100 0.281 0.000 0.794 328 G HN 0.351 nan 8.290 nan 0.000 0.535 329 S N 0.475 116.309 115.700 0.225 0.000 2.383 329 S HA -0.089 4.380 4.470 -0.001 0.000 0.227 329 S C 2.069 176.691 174.600 0.035 0.000 1.026 329 S CA 0.956 59.255 58.200 0.166 0.000 0.981 329 S CB -0.532 62.701 63.200 0.056 0.000 0.818 329 S HN 0.262 nan 8.310 nan 0.000 0.472 330 F N 2.072 121.894 119.950 -0.214 0.000 2.126 330 F HA 0.013 4.540 4.527 -0.001 0.000 0.299 330 F C 1.598 177.133 175.800 -0.442 0.000 1.096 330 F CA 1.172 58.879 58.000 -0.488 0.000 1.255 330 F CB -0.423 38.101 39.000 -0.793 0.000 0.997 330 F HN 0.172 nan 8.300 nan 0.000 0.479 331 F N -0.269 119.600 119.950 -0.136 0.000 2.293 331 F HA -0.022 4.505 4.527 -0.001 0.000 0.297 331 F C 2.079 177.769 175.800 -0.184 0.000 1.089 331 F CA 0.713 58.583 58.000 -0.217 0.000 1.377 331 F CB -0.855 38.019 39.000 -0.210 0.000 1.051 331 F HN -0.099 nan 8.300 nan 0.000 0.511 332 L N -0.567 120.608 121.223 -0.081 0.000 2.056 332 L HA -0.187 4.153 4.340 -0.001 0.000 0.207 332 L C 2.450 179.115 176.870 -0.342 0.000 1.078 332 L CA 0.649 55.226 54.840 -0.438 0.000 0.749 332 L CB -0.658 40.784 42.059 -1.028 0.000 0.901 332 L HN 0.162 nan 8.230 nan 0.000 0.433 333 L N -1.071 120.123 121.223 -0.048 0.000 2.042 333 L HA -0.265 4.074 4.340 -0.001 0.000 0.210 333 L C 2.302 179.196 176.870 0.040 0.000 1.076 333 L CA 2.010 56.966 54.840 0.193 0.000 0.749 333 L CB -0.609 41.588 42.059 0.231 0.000 0.893 333 L HN 0.128 nan 8.230 nan 0.000 0.432 334 Y N -0.933 119.249 120.300 -0.196 0.000 2.337 334 Y HA 0.141 4.691 4.550 -0.001 0.000 0.293 334 Y C 2.327 178.138 175.900 -0.148 0.000 1.123 334 Y CA 1.182 59.160 58.100 -0.204 0.000 1.201 334 Y CB -0.341 37.897 38.460 -0.370 0.000 1.011 334 Y HN 0.265 nan 8.280 nan 0.000 0.545 335 G N -1.429 107.379 108.800 0.013 0.000 2.739 335 G HA2 0.346 4.306 3.960 -0.001 0.000 0.200 335 G HA3 0.346 4.306 3.960 -0.001 0.000 0.200 335 G C 0.270 175.174 174.900 0.007 0.000 1.069 335 G CA 0.391 45.484 45.100 -0.012 0.000 0.768 335 G HN 0.279 nan 8.290 nan 0.000 0.565 336 A N 1.833 124.658 122.820 0.009 0.000 2.354 336 A HA 0.674 4.994 4.320 -0.001 0.000 0.269 336 A C -2.225 175.498 177.584 0.231 0.000 1.109 336 A CA -1.232 50.861 52.037 0.094 0.000 0.800 336 A CB 0.413 19.435 19.000 0.036 0.000 1.045 336 A HN 0.153 nan 8.150 nan 0.000 0.489 337 P HA 0.258 nan 4.420 nan 0.000 0.268 337 P C 0.856 178.210 177.300 0.089 0.000 1.205 337 P CA 1.374 64.536 63.100 0.103 0.000 0.771 337 P CB 0.995 32.725 31.700 0.050 0.000 0.858 338 G N 1.442 110.238 108.800 -0.007 0.000 2.213 338 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.236 338 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.236 338 G C -0.256 174.439 174.900 -0.342 0.000 0.991 338 G CA -0.468 44.520 45.100 -0.187 0.000 0.629 338 G HN 0.428 nan 8.290 nan 0.000 0.517 339 F N 2.115 121.986 119.950 -0.132 0.000 2.408 339 F HA 0.711 5.238 4.527 -0.001 0.000 0.344 339 F C 0.644 176.419 175.800 -0.042 0.000 1.112 339 F CA -0.305 57.581 58.000 -0.190 0.000 1.096 339 F CB 2.187 41.115 39.000 -0.119 0.000 1.129 339 F HN 0.050 nan 8.300 nan 0.000 0.486 340 S N 1.982 117.774 115.700 0.153 0.000 2.564 340 S HA 0.291 4.761 4.470 -0.001 0.000 0.274 340 S C 0.591 175.416 174.600 0.374 0.000 1.124 340 S CA -1.130 57.197 58.200 0.212 0.000 0.869 340 S CB 2.298 65.552 63.200 0.091 0.000 1.105 340 S HN 0.700 nan 8.310 nan 0.000 0.472 341 K N 0.487 121.052 120.400 0.276 0.000 2.097 341 K HA -0.048 4.272 4.320 -0.001 0.000 0.205 341 K C -0.092 176.584 176.600 0.127 0.000 1.050 341 K CA 1.365 57.742 56.287 0.149 0.000 0.938 341 K CB 0.044 32.336 32.500 -0.347 0.000 0.718 341 K HN 0.467 nan 8.250 nan 0.000 0.442 342 D N 0.198 120.645 120.400 0.078 0.000 2.363 342 D HA 0.019 4.658 4.640 -0.001 0.000 0.214 342 D C 0.094 176.441 176.300 0.078 0.000 1.093 342 D CA 0.105 54.130 54.000 0.042 0.000 0.837 342 D CB 0.789 41.577 40.800 -0.019 0.000 0.948 342 D HN 0.178 nan 8.370 nan 0.000 0.507 343 S N -0.943 114.826 115.700 0.115 0.000 2.726 343 S HA 0.348 4.818 4.470 -0.001 0.000 0.308 343 S C 0.888 175.544 174.600 0.093 0.000 1.115 343 S CA -0.699 57.536 58.200 0.058 0.000 0.965 343 S CB 2.287 65.472 63.200 -0.026 0.000 1.145 343 S HN -0.144 nan 8.310 nan 0.000 0.532 344 E N 0.472 120.674 120.200 0.003 0.000 2.418 344 E HA 0.051 4.400 4.350 -0.001 0.000 0.197 344 E C -0.374 175.992 176.600 -0.390 0.000 1.026 344 E CA 0.412 56.798 56.400 -0.022 0.000 0.862 344 E CB -0.225 29.468 29.700 -0.013 0.000 0.799 344 E HN 0.697 nan 8.360 nan 0.000 0.518 345 S N 1.173 116.576 115.700 -0.495 0.000 3.631 345 S HA -0.179 4.291 4.470 -0.001 0.000 0.366 345 S C -0.285 173.921 174.600 -0.656 0.000 0.993 345 S CA 0.650 58.397 58.200 -0.755 0.000 1.167 345 S CB -1.190 61.172 63.200 -1.398 0.000 0.909 345 S HN 0.279 nan 8.310 nan 0.000 0.478 346 K N 0.860 121.026 120.400 -0.389 0.000 2.412 346 K HA 0.270 4.590 4.320 -0.001 0.000 0.281 346 K C 0.255 176.660 176.600 -0.325 0.000 1.027 346 K CA -0.025 56.089 56.287 -0.290 0.000 0.989 346 K CB 0.389 32.784 32.500 -0.174 0.000 0.935 346 K HN 0.204 nan 8.250 nan 0.000 0.475 347 I N 2.702 123.096 120.570 -0.292 0.000 2.354 347 I HA 0.054 4.224 4.170 -0.001 0.000 0.292 347 I C 0.843 176.882 176.117 -0.129 0.000 0.989 347 I CA -0.368 60.770 61.300 -0.270 0.000 1.188 347 I CB 1.244 39.075 38.000 -0.280 0.000 1.342 347 I HN 0.694 nan 8.210 nan 0.000 0.457 348 S N 6.045 121.684 115.700 -0.101 0.000 2.600 348 S HA 0.169 4.639 4.470 -0.001 0.000 0.265 348 S C 1.259 175.860 174.600 0.002 0.000 1.325 348 S CA -0.248 57.919 58.200 -0.054 0.000 1.002 348 S CB 1.311 64.485 63.200 -0.044 0.000 0.921 348 S HN 0.625 nan 8.310 nan 0.000 0.554 349 R N 0.809 121.304 120.500 -0.008 0.000 2.117 349 R HA -0.099 4.241 4.340 -0.001 0.000 0.243 349 R C 2.232 178.598 176.300 0.110 0.000 1.143 349 R CA 2.177 58.293 56.100 0.027 0.000 0.968 349 R CB -0.662 29.639 30.300 0.001 0.000 0.863 349 R HN 0.897 nan 8.270 nan 0.000 0.444 350 E N -0.375 119.865 120.200 0.067 0.000 2.072 350 E HA -0.146 4.204 4.350 -0.001 0.000 0.190 350 E C 1.043 177.686 176.600 0.072 0.000 0.982 350 E CA 1.289 57.730 56.400 0.068 0.000 0.803 350 E CB 0.007 29.729 29.700 0.036 0.000 0.755 350 E HN 0.353 nan 8.360 nan 0.000 0.453 351 D N -0.057 120.376 120.400 0.055 0.000 2.219 351 D HA -0.135 4.504 4.640 -0.001 0.000 0.205 351 D C 1.567 177.923 176.300 0.093 0.000 0.970 351 D CA 0.461 54.489 54.000 0.046 0.000 0.851 351 D CB -0.305 40.485 40.800 -0.018 0.000 0.943 351 D HN 0.143 nan 8.370 nan 0.000 0.488 352 F N 0.937 120.880 119.950 -0.011 0.000 2.075 352 F HA -0.146 4.380 4.527 -0.001 0.000 0.297 352 F C 2.344 178.161 175.800 0.028 0.000 1.113 352 F CA 1.356 59.362 58.000 0.011 0.000 1.218 352 F CB -0.191 38.794 39.000 -0.025 0.000 0.984 352 F HN -0.159 nan 8.300 nan 0.000 0.472 353 M N -0.782 118.918 119.600 0.168 0.000 2.159 353 M HA -0.215 4.264 4.480 -0.001 0.000 0.263 353 M C 2.275 178.564 176.300 -0.018 0.000 1.063 353 M CA 1.636 56.981 55.300 0.075 0.000 1.110 353 M CB -0.488 32.194 32.600 0.137 0.000 1.374 353 M HN 0.081 nan 8.290 nan 0.000 0.411 354 S N 0.309 116.009 115.700 -0.001 0.000 2.383 354 S HA -0.069 4.401 4.470 -0.001 0.000 0.227 354 S C 1.962 176.537 174.600 -0.042 0.000 1.026 354 S CA 1.315 59.509 58.200 -0.010 0.000 0.981 354 S CB -0.638 62.572 63.200 0.015 0.000 0.818 354 S HN 0.686 nan 8.310 nan 0.000 0.472 355 G N 1.360 110.119 108.800 -0.068 0.000 2.440 355 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.218 355 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.218 355 G C 1.454 176.250 174.900 -0.174 0.000 1.154 355 G CA 1.066 46.110 45.100 -0.094 0.000 0.767 355 G HN 0.421 nan 8.290 nan 0.000 0.552 356 V N 0.657 120.408 119.914 -0.272 0.000 2.343 356 V HA -0.171 3.949 4.120 -0.001 0.000 0.247 356 V C 2.688 178.701 176.094 -0.135 0.000 1.051 356 V CA 2.350 64.510 62.300 -0.233 0.000 1.036 356 V CB -0.437 31.246 31.823 -0.234 0.000 0.654 356 V HN 0.385 nan 8.190 nan 0.000 0.451 357 K N -0.188 120.149 120.400 -0.106 0.000 2.026 357 K HA -0.124 4.195 4.320 -0.001 0.000 0.208 357 K C 2.070 178.618 176.600 -0.086 0.000 1.048 357 K CA 1.443 57.675 56.287 -0.092 0.000 0.929 357 K CB -0.261 32.203 32.500 -0.060 0.000 0.713 357 K HN 0.369 nan 8.250 nan 0.000 0.439 358 L N 0.202 121.389 121.223 -0.060 0.000 2.083 358 L HA -0.195 4.144 4.340 -0.001 0.000 0.209 358 L C 2.256 179.103 176.870 -0.038 0.000 1.083 358 L CA 1.227 56.047 54.840 -0.034 0.000 0.752 358 L CB -0.295 41.752 42.059 -0.020 0.000 0.899 358 L HN 0.168 nan 8.230 nan 0.000 0.433 359 S N -1.017 114.642 115.700 -0.068 0.000 2.414 359 S HA -0.001 4.468 4.470 -0.001 0.000 0.227 359 S C 0.946 175.491 174.600 -0.092 0.000 1.022 359 S CA 0.468 58.629 58.200 -0.065 0.000 0.958 359 S CB 0.247 63.386 63.200 -0.101 0.000 0.797 359 S HN 0.164 nan 8.310 nan 0.000 0.493 360 V N 3.074 122.891 119.914 -0.161 0.000 2.326 360 V HA 0.230 4.349 4.120 -0.001 0.000 0.254 360 V C -1.919 173.967 176.094 -0.346 0.000 1.022 360 V CA -1.385 60.728 62.300 -0.311 0.000 1.074 360 V CB 0.662 32.284 31.823 -0.336 0.000 1.305 360 V HN 0.178 nan 8.190 nan 0.000 0.506 361 P HA -0.155 nan 4.420 nan 0.000 0.220 361 P C 1.126 178.026 177.300 -0.667 0.000 1.148 361 P CA 1.365 64.277 63.100 -0.313 0.000 0.803 361 P CB 0.012 31.660 31.700 -0.087 0.000 0.782 362 H N -1.013 117.763 119.070 -0.490 0.000 2.543 362 H HA 0.458 5.014 4.556 -0.001 0.000 0.269 362 H C 0.277 175.433 175.328 -0.287 0.000 1.005 362 H CA -0.250 55.517 56.048 -0.468 0.000 1.146 362 H CB -0.471 29.182 29.762 -0.182 0.000 1.353 362 H HN -0.046 nan 8.280 nan 0.000 0.595 363 A N 2.293 124.811 122.820 -0.504 0.000 2.309 363 A HA 0.285 4.604 4.320 -0.001 0.000 0.298 363 A C 0.308 177.766 177.584 -0.210 0.000 1.165 363 A CA -0.686 51.147 52.037 -0.339 0.000 0.821 363 A CB 0.620 19.419 19.000 -0.336 0.000 1.102 363 A HN 0.625 nan 8.150 nan 0.000 0.500 364 N N 1.576 120.192 118.700 -0.141 0.000 2.294 364 N HA 0.037 4.777 4.740 -0.001 0.000 0.248 364 N C -0.025 175.441 175.510 -0.074 0.000 1.300 364 N CA -0.084 52.911 53.050 -0.092 0.000 0.925 364 N CB 0.207 38.654 38.487 -0.065 0.000 1.188 364 N HN 0.485 nan 8.380 nan 0.000 0.512 365 D N -0.857 119.516 120.400 -0.045 0.000 2.144 365 D HA -0.120 4.519 4.640 -0.001 0.000 0.199 365 D C 1.724 178.019 176.300 -0.007 0.000 0.984 365 D CA 0.735 54.721 54.000 -0.023 0.000 0.834 365 D CB -0.286 40.509 40.800 -0.009 0.000 0.955 365 D HN 0.457 nan 8.370 nan 0.000 0.465 366 L N 0.896 122.112 121.223 -0.012 0.000 2.012 366 L HA -0.036 4.303 4.340 -0.001 0.000 0.210 366 L C 2.215 179.092 176.870 0.011 0.000 1.073 366 L CA 2.177 57.020 54.840 0.005 0.000 0.748 366 L CB -1.021 41.033 42.059 -0.007 0.000 0.891 366 L HN 0.080 nan 8.230 nan 0.000 0.431 367 G N -0.403 108.375 108.800 -0.036 0.000 2.476 367 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.218 367 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.218 367 G C 1.614 176.514 174.900 -0.000 0.000 1.164 367 G CA 1.258 46.327 45.100 -0.052 0.000 0.768 367 G HN 0.451 nan 8.290 nan 0.000 0.560 368 L N 0.380 121.592 121.223 -0.018 0.000 2.046 368 L HA -0.079 4.261 4.340 -0.001 0.000 0.208 368 L C 2.595 179.508 176.870 0.072 0.000 1.077 368 L CA 1.293 56.138 54.840 0.007 0.000 0.747 368 L CB -0.454 41.594 42.059 -0.018 0.000 0.896 368 L HN 0.094 nan 8.230 nan 0.000 0.432 369 D N 0.248 120.696 120.400 0.080 0.000 2.123 369 D HA -0.181 4.459 4.640 -0.001 0.000 0.196 369 D C 2.227 178.619 176.300 0.152 0.000 0.992 369 D CA 1.532 55.603 54.000 0.118 0.000 0.833 369 D CB -0.110 40.746 40.800 0.093 0.000 0.954 369 D HN 0.333 nan 8.370 nan 0.000 0.455 370 A N 0.526 123.452 122.820 0.176 0.000 1.877 370 A HA -0.153 4.167 4.320 -0.001 0.000 0.216 370 A C 2.537 180.244 177.584 0.204 0.000 1.186 370 A CA 1.465 53.671 52.037 0.281 0.000 0.620 370 A CB -0.787 18.479 19.000 0.442 0.000 0.822 370 A HN 0.155 nan 8.150 nan 0.000 0.443 371 V N -0.344 119.699 119.914 0.215 0.000 2.295 371 V HA -0.235 3.885 4.120 -0.001 0.000 0.246 371 V C 2.729 178.910 176.094 0.146 0.000 1.049 371 V CA 2.503 64.859 62.300 0.094 0.000 1.024 371 V CB -1.405 30.501 31.823 0.138 0.000 0.648 371 V HN 0.596 nan 8.190 nan 0.000 0.447 372 T N 0.569 115.239 114.554 0.194 0.000 2.708 372 T HA -0.177 4.173 4.350 -0.001 0.000 0.266 372 T C 1.915 176.771 174.700 0.260 0.000 1.037 372 T CA 1.846 64.131 62.100 0.308 0.000 1.146 372 T CB -0.372 68.682 68.868 0.310 0.000 0.865 372 T HN 0.308 nan 8.240 nan 0.000 0.435 373 L N 1.340 122.698 121.223 0.225 0.000 2.042 373 L HA -0.072 4.267 4.340 -0.001 0.000 0.210 373 L C 2.438 179.334 176.870 0.043 0.000 1.076 373 L CA 1.846 56.823 54.840 0.229 0.000 0.749 373 L CB -0.826 41.339 42.059 0.177 0.000 0.893 373 L HN 0.125 nan 8.230 nan 0.000 0.432 374 Q N -1.475 118.247 119.800 -0.129 0.000 2.224 374 Q HA -0.180 4.160 4.340 -0.001 0.000 0.203 374 Q C 1.116 176.874 176.000 -0.403 0.000 0.970 374 Q CA 1.809 57.366 55.803 -0.410 0.000 0.865 374 Q CB -0.182 27.971 28.738 -0.976 0.000 0.922 374 Q HN 0.699 nan 8.270 nan 0.000 0.445 375 Y N -1.330 118.914 120.300 -0.093 0.000 2.531 375 Y HA 0.329 4.879 4.550 -0.001 0.000 0.249 375 Y C -0.218 175.637 175.900 -0.076 0.000 1.168 375 Y CA -0.204 57.899 58.100 0.004 0.000 1.226 375 Y CB 1.046 39.608 38.460 0.169 0.000 1.177 375 Y HN -0.187 nan 8.280 nan 0.000 0.527 376 T N 0.760 115.241 114.554 -0.123 0.000 2.771 376 T HA 0.078 4.427 4.350 -0.001 0.000 0.281 376 T C -0.759 173.648 174.700 -0.488 0.000 0.982 376 T CA -0.665 61.138 62.100 -0.494 0.000 0.978 376 T CB 0.933 69.251 68.868 -0.916 0.000 0.930 376 T HN -0.017 nan 8.240 nan 0.000 0.447 377 D N 2.065 122.212 120.400 -0.421 0.000 2.359 377 D HA 0.075 4.715 4.640 -0.001 0.000 0.250 377 D C 0.083 176.176 176.300 -0.345 0.000 1.264 377 D CA -0.571 53.261 54.000 -0.281 0.000 0.911 377 D CB 0.340 41.034 40.800 -0.177 0.000 1.056 377 D HN 0.619 nan 8.370 nan 0.000 0.499 378 W N 3.058 124.318 121.300 -0.066 0.000 2.825 378 W HA 0.024 4.683 4.660 -0.001 0.000 0.243 378 W C 1.989 178.479 176.519 -0.049 0.000 1.293 378 W CA -0.101 57.209 57.345 -0.059 0.000 1.403 378 W CB -0.032 29.398 29.460 -0.049 0.000 1.134 378 W HN 0.412 nan 8.180 nan 0.000 0.666 379 M N -0.812 118.856 119.600 0.114 0.000 2.558 379 M HA 0.001 4.480 4.480 -0.001 0.000 0.255 379 M C 0.282 176.594 176.300 0.019 0.000 1.113 379 M CA 1.228 56.566 55.300 0.065 0.000 1.097 379 M CB 0.130 32.750 32.600 0.033 0.000 1.426 379 M HN -0.218 nan 8.290 nan 0.000 0.488 380 D N 0.050 120.430 120.400 -0.034 0.000 3.216 380 D HA -0.002 4.638 4.640 -0.001 0.000 0.348 380 D C 0.240 176.449 176.300 -0.153 0.000 1.407 380 D CA 0.071 54.028 54.000 -0.072 0.000 0.744 380 D CB 0.211 40.971 40.800 -0.067 0.000 1.264 380 D HN 0.235 nan 8.370 nan 0.000 0.543 381 D N -0.934 119.357 120.400 -0.181 0.000 2.350 381 D HA -0.104 4.535 4.640 -0.001 0.000 0.216 381 D C 0.502 176.641 176.300 -0.268 0.000 0.968 381 D CA 0.238 54.024 54.000 -0.356 0.000 0.894 381 D CB 0.177 40.701 40.800 -0.460 0.000 0.909 381 D HN 0.142 nan 8.370 nan 0.000 0.520 382 N N 0.743 119.353 118.700 -0.151 0.000 2.235 382 N HA -0.039 4.701 4.740 -0.001 0.000 0.209 382 N C -0.014 175.428 175.510 -0.113 0.000 1.122 382 N CA -0.197 52.782 53.050 -0.118 0.000 0.845 382 N CB 0.094 38.542 38.487 -0.064 0.000 1.004 382 N HN 0.152 nan 8.380 nan 0.000 0.499 383 N N 1.105 119.727 118.700 -0.130 0.000 2.405 383 N HA 0.043 4.782 4.740 -0.001 0.000 0.260 383 N C 1.278 176.719 175.510 -0.114 0.000 1.152 383 N CA 0.044 53.032 53.050 -0.104 0.000 0.948 383 N CB 0.962 39.392 38.487 -0.095 0.000 1.111 383 N HN 0.130 nan 8.380 nan 0.000 0.485 384 G N 4.224 112.965 108.800 -0.098 0.000 2.422 384 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.218 384 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.218 384 G C 1.425 176.265 174.900 -0.099 0.000 1.146 384 G CA 0.449 45.483 45.100 -0.111 0.000 0.769 384 G HN 0.618 nan 8.290 nan 0.000 0.547 385 I N 0.902 121.434 120.570 -0.063 0.000 2.233 385 I HA -0.034 4.135 4.170 -0.001 0.000 0.243 385 I C 2.555 178.673 176.117 0.003 0.000 1.093 385 I CA 0.996 62.283 61.300 -0.021 0.000 1.380 385 I CB -1.095 36.908 38.000 0.004 0.000 1.067 385 I HN 0.171 nan 8.210 nan 0.000 0.413 386 K N 0.651 121.035 120.400 -0.028 0.000 2.057 386 K HA -0.168 4.151 4.320 -0.001 0.000 0.207 386 K C 1.878 178.460 176.600 -0.030 0.000 1.049 386 K CA 1.338 57.606 56.287 -0.030 0.000 0.931 386 K CB -0.124 32.324 32.500 -0.087 0.000 0.714 386 K HN 0.289 nan 8.250 nan 0.000 0.440 387 N N 0.630 119.275 118.700 -0.090 0.000 2.142 387 N HA -0.154 4.585 4.740 -0.001 0.000 0.186 387 N C 1.688 177.343 175.510 0.242 0.000 1.023 387 N CA 0.844 53.863 53.050 -0.052 0.000 0.852 387 N CB -0.182 38.230 38.487 -0.124 0.000 0.998 387 N HN 0.161 nan 8.380 nan 0.000 0.424 388 R N 1.332 121.893 120.500 0.101 0.000 2.073 388 R HA -0.096 4.243 4.340 -0.001 0.000 0.234 388 R C 0.647 177.125 176.300 0.297 0.000 1.134 388 R CA 1.456 57.636 56.100 0.134 0.000 0.952 388 R CB -0.291 29.959 30.300 -0.084 0.000 0.850 388 R HN 0.105 nan 8.270 nan 0.000 0.433 389 D N -0.382 120.156 120.400 0.232 0.000 2.144 389 D HA -0.079 4.561 4.640 -0.001 0.000 0.199 389 D C 1.761 178.227 176.300 0.277 0.000 0.984 389 D CA 1.458 55.611 54.000 0.256 0.000 0.834 389 D CB -0.608 40.310 40.800 0.197 0.000 0.955 389 D HN 0.501 nan 8.370 nan 0.000 0.465 390 G N 0.930 109.907 108.800 0.295 0.000 2.446 390 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.217 390 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.217 390 G C 1.768 176.863 174.900 0.324 0.000 1.168 390 G CA 0.330 45.664 45.100 0.390 0.000 0.771 390 G HN 0.255 nan 8.290 nan 0.000 0.551 391 L N 0.141 121.569 121.223 0.342 0.000 2.046 391 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 391 L C 2.661 179.591 176.870 0.099 0.000 1.077 391 L CA 1.397 56.310 54.840 0.123 0.000 0.747 391 L CB -0.345 41.845 42.059 0.218 0.000 0.896 391 L HN 0.196 nan 8.230 nan 0.000 0.432 392 D N 0.204 120.731 120.400 0.212 0.000 2.106 392 D HA -0.239 4.401 4.640 -0.001 0.000 0.191 392 D C 1.708 178.101 176.300 0.155 0.000 0.997 392 D CA 1.592 55.716 54.000 0.205 0.000 0.834 392 D CB -0.028 40.951 40.800 0.298 0.000 0.956 392 D HN 0.239 nan 8.370 nan 0.000 0.448 393 D N -0.077 120.433 120.400 0.183 0.000 2.123 393 D HA -0.132 4.508 4.640 -0.001 0.000 0.196 393 D C 2.349 178.659 176.300 0.017 0.000 0.992 393 D CA 0.451 54.569 54.000 0.196 0.000 0.833 393 D CB -0.347 40.683 40.800 0.383 0.000 0.954 393 D HN 0.367 nan 8.370 nan 0.000 0.455 394 I N 0.428 120.855 120.570 -0.238 0.000 2.127 394 I HA -0.269 3.901 4.170 -0.001 0.000 0.241 394 I C 2.443 178.422 176.117 -0.230 0.000 1.075 394 I CA 0.823 61.896 61.300 -0.379 0.000 1.334 394 I CB -0.150 37.621 38.000 -0.383 0.000 1.040 394 I HN -0.096 nan 8.210 nan 0.000 0.405 395 V N 0.662 120.496 119.914 -0.135 0.000 2.358 395 V HA -0.182 3.937 4.120 -0.001 0.000 0.246 395 V C 2.517 178.512 176.094 -0.163 0.000 1.047 395 V CA 2.126 64.354 62.300 -0.120 0.000 1.035 395 V CB -1.381 30.444 31.823 0.003 0.000 0.658 395 V HN 0.579 nan 8.190 nan 0.000 0.452 396 G N -0.255 108.518 108.800 -0.045 0.000 2.404 396 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.215 396 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.215 396 G C 1.226 176.071 174.900 -0.093 0.000 1.174 396 G CA 1.000 46.093 45.100 -0.012 0.000 0.780 396 G HN 0.494 nan 8.290 nan 0.000 0.537 397 D N -0.093 120.256 120.400 -0.086 0.000 2.084 397 D HA -0.111 4.529 4.640 -0.001 0.000 0.194 397 D C 2.097 178.068 176.300 -0.548 0.000 0.990 397 D CA 1.418 55.331 54.000 -0.145 0.000 0.826 397 D CB -0.556 40.325 40.800 0.134 0.000 0.971 397 D HN 0.405 nan 8.370 nan 0.000 0.453 398 H N 0.867 119.291 119.070 -1.077 0.000 2.321 398 H HA -0.000 4.555 4.556 -0.001 0.000 0.300 398 H C 1.540 176.477 175.328 -0.653 0.000 1.087 398 H CA 1.817 57.093 56.048 -1.288 0.000 1.319 398 H CB 0.005 28.901 29.762 -1.442 0.000 1.379 398 H HN -0.000 nan 8.280 nan 0.000 0.501 399 N N -0.845 117.396 118.700 -0.765 0.000 2.409 399 N HA -0.001 4.738 4.740 -0.001 0.000 0.174 399 N C 1.291 176.555 175.510 -0.409 0.000 1.037 399 N CA 1.069 53.624 53.050 -0.825 0.000 0.898 399 N CB 0.993 38.532 38.487 -1.580 0.000 1.010 399 N HN 0.271 nan 8.380 nan 0.000 0.445 400 V N 0.370 120.117 119.914 -0.278 0.000 3.278 400 V HA 0.170 4.290 4.120 -0.001 0.000 0.215 400 V C 2.045 178.119 176.094 -0.033 0.000 1.287 400 V CA -0.001 62.271 62.300 -0.046 0.000 1.302 400 V CB 0.150 32.016 31.823 0.071 0.000 1.228 400 V HN -0.056 nan 8.190 nan 0.000 0.523 401 I N 0.503 121.061 120.570 -0.019 0.000 2.163 401 I HA -0.245 3.925 4.170 -0.001 0.000 0.240 401 I C 2.494 178.626 176.117 0.025 0.000 1.081 401 I CA 1.755 63.075 61.300 0.033 0.000 1.353 401 I CB -0.407 37.652 38.000 0.098 0.000 1.054 401 I HN 0.377 nan 8.210 nan 0.000 0.407 402 c N 0.627 119.231 118.600 0.007 0.000 2.457 402 c HA -0.002 4.568 4.570 -0.001 0.000 0.278 402 c C 0.180 174.307 174.090 0.061 0.000 1.309 402 c CA 0.454 56.830 56.329 0.079 0.000 1.735 402 c CB -1.801 40.815 42.510 0.177 0.000 1.992 402 c HN 0.360 nan 8.230 nan 0.000 0.493 403 P HA -0.104 nan 4.420 nan 0.000 0.216 403 P C 1.739 179.071 177.300 0.053 0.000 1.153 403 P CA 1.079 64.162 63.100 -0.029 0.000 0.848 403 P CB -0.183 31.410 31.700 -0.178 0.000 0.787 404 L N -1.765 119.466 121.223 0.014 0.000 2.046 404 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 404 L C 2.155 179.070 176.870 0.075 0.000 1.077 404 L CA 1.736 56.596 54.840 0.034 0.000 0.747 404 L CB -0.576 41.475 42.059 -0.014 0.000 0.896 404 L HN -0.117 nan 8.230 nan 0.000 0.432 405 M N -1.051 118.585 119.600 0.059 0.000 2.159 405 M HA -0.241 4.239 4.480 -0.001 0.000 0.263 405 M C 2.292 178.658 176.300 0.110 0.000 1.063 405 M CA 1.712 57.046 55.300 0.057 0.000 1.110 405 M CB -1.658 30.993 32.600 0.084 0.000 1.374 405 M HN 0.427 nan 8.290 nan 0.000 0.411 406 H N -0.216 118.895 119.070 0.067 0.000 2.353 406 H HA -0.180 4.375 4.556 -0.001 0.000 0.300 406 H C 1.848 177.220 175.328 0.074 0.000 1.090 406 H CA 2.047 58.141 56.048 0.076 0.000 1.327 406 H CB -0.333 29.471 29.762 0.071 0.000 1.383 406 H HN 0.252 nan 8.280 nan 0.000 0.508 407 F N 0.381 120.297 119.950 -0.056 0.000 2.102 407 F HA -0.172 4.354 4.527 -0.001 0.000 0.298 407 F C 2.165 177.879 175.800 -0.144 0.000 1.105 407 F CA 1.635 59.556 58.000 -0.132 0.000 1.239 407 F CB -0.599 38.329 39.000 -0.119 0.000 0.991 407 F HN 0.079 nan 8.300 nan 0.000 0.474 408 V N 0.800 120.608 119.914 -0.177 0.000 2.343 408 V HA -0.312 3.808 4.120 -0.001 0.000 0.247 408 V C 2.251 178.178 176.094 -0.279 0.000 1.051 408 V CA 2.115 64.194 62.300 -0.370 0.000 1.036 408 V CB -1.053 30.423 31.823 -0.580 0.000 0.654 408 V HN 0.403 nan 8.190 nan 0.000 0.451 409 N N 0.361 118.983 118.700 -0.131 0.000 2.106 409 N HA -0.128 4.612 4.740 -0.001 0.000 0.188 409 N C 1.889 177.373 175.510 -0.043 0.000 1.029 409 N CA 1.143 54.215 53.050 0.037 0.000 0.848 409 N CB -0.190 38.355 38.487 0.098 0.000 1.007 409 N HN 0.403 nan 8.380 nan 0.000 0.423 410 K N 0.677 120.961 120.400 -0.193 0.000 2.057 410 K HA -0.129 4.190 4.320 -0.001 0.000 0.207 410 K C 1.982 178.544 176.600 -0.064 0.000 1.049 410 K CA 0.787 56.992 56.287 -0.138 0.000 0.931 410 K CB -0.882 31.470 32.500 -0.247 0.000 0.714 410 K HN 0.326 nan 8.250 nan 0.000 0.440 411 Y N 2.206 122.233 120.300 -0.456 0.000 2.200 411 Y HA -0.202 4.347 4.550 -0.001 0.000 0.290 411 Y C 2.221 178.084 175.900 -0.060 0.000 1.137 411 Y CA 1.865 59.662 58.100 -0.506 0.000 1.163 411 Y CB -0.311 37.531 38.460 -1.031 0.000 0.988 411 Y HN 0.026 nan 8.280 nan 0.000 0.518 412 T N 0.806 115.395 114.554 0.060 0.000 2.803 412 T HA -0.189 4.161 4.350 -0.001 0.000 0.269 412 T C 1.711 176.433 174.700 0.036 0.000 1.052 412 T CA 1.645 63.822 62.100 0.128 0.000 1.136 412 T CB -0.172 68.870 68.868 0.290 0.000 0.864 412 T HN 0.353 nan 8.240 nan 0.000 0.467 413 K N 0.245 120.640 120.400 -0.007 0.000 2.044 413 K HA -0.093 4.226 4.320 -0.001 0.000 0.210 413 K C 1.662 178.074 176.600 -0.312 0.000 1.049 413 K CA 1.547 57.722 56.287 -0.186 0.000 0.927 413 K CB -0.260 32.080 32.500 -0.267 0.000 0.713 413 K HN 0.394 nan 8.250 nan 0.000 0.443 414 F N 0.215 120.113 119.950 -0.087 0.000 2.678 414 F HA 0.182 4.709 4.527 -0.001 0.000 0.291 414 F C 1.638 177.335 175.800 -0.171 0.000 1.123 414 F CA -0.293 57.623 58.000 -0.141 0.000 1.395 414 F CB -0.031 38.831 39.000 -0.229 0.000 1.121 414 F HN -0.033 nan 8.300 nan 0.000 0.592 415 G N -0.247 108.496 108.800 -0.095 0.000 2.588 415 G HA2 -0.022 3.938 3.960 -0.001 0.000 0.278 415 G HA3 -0.022 3.938 3.960 -0.001 0.000 0.278 415 G C 0.388 175.339 174.900 0.086 0.000 1.307 415 G CA -0.349 44.706 45.100 -0.076 0.000 1.016 415 G HN 0.264 nan 8.290 nan 0.000 0.503 416 N N -0.778 118.027 118.700 0.174 0.000 2.187 416 N HA 0.255 4.995 4.740 -0.001 0.000 0.212 416 N C 0.333 175.925 175.510 0.135 0.000 1.152 416 N CA 0.470 53.595 53.050 0.126 0.000 0.872 416 N CB 0.478 39.031 38.487 0.110 0.000 1.025 416 N HN 0.825 nan 8.380 nan 0.000 0.514 417 G N 0.443 109.344 108.800 0.168 0.000 2.088 417 G HA2 0.034 3.993 3.960 -0.001 0.000 0.222 417 G HA3 0.034 3.993 3.960 -0.001 0.000 0.222 417 G C -1.326 173.633 174.900 0.099 0.000 1.690 417 G CA -0.704 44.456 45.100 0.100 0.000 0.923 417 G HN -0.004 nan 8.290 nan 0.000 0.730 418 T N 1.784 116.282 114.554 -0.093 0.000 2.824 418 T HA 0.661 5.011 4.350 -0.001 0.000 0.282 418 T C -1.169 173.289 174.700 -0.403 0.000 0.993 418 T CA -0.265 61.779 62.100 -0.095 0.000 0.967 418 T CB 1.134 70.019 68.868 0.028 0.000 0.960 418 T HN 0.396 nan 8.240 nan 0.000 0.441 419 Y N 2.262 122.469 120.300 -0.156 0.000 2.326 419 Y HA 0.624 5.174 4.550 -0.001 0.000 0.331 419 Y C -0.426 175.521 175.900 0.078 0.000 0.962 419 Y CA -1.179 56.776 58.100 -0.242 0.000 1.167 419 Y CB 1.342 39.173 38.460 -1.049 0.000 1.148 419 Y HN 0.412 nan 8.280 nan 0.000 0.463 420 L N 6.077 127.657 121.223 0.595 0.000 2.307 420 L HA 0.583 4.922 4.340 -0.001 0.000 0.284 420 L C -1.068 176.262 176.870 0.766 0.000 1.023 420 L CA -1.053 54.084 54.840 0.495 0.000 0.810 420 L CB 0.493 42.719 42.059 0.278 0.000 1.231 420 L HN 0.543 nan 8.230 nan 0.000 0.423 421 Y N 3.337 123.951 120.300 0.523 0.000 2.598 421 Y HA 0.759 5.309 4.550 -0.001 0.000 0.340 421 Y C -1.668 174.495 175.900 0.439 0.000 1.038 421 Y CA -1.968 56.365 58.100 0.389 0.000 1.100 421 Y CB 1.338 39.968 38.460 0.282 0.000 1.281 421 Y HN 0.517 nan 8.280 nan 0.000 0.488 422 F N 3.725 123.984 119.950 0.515 0.000 2.659 422 F HA 0.441 4.968 4.527 -0.001 0.000 0.342 422 F C -2.058 174.041 175.800 0.498 0.000 1.168 422 F CA -1.733 56.499 58.000 0.388 0.000 1.003 422 F CB 0.819 40.025 39.000 0.343 0.000 1.267 422 F HN 0.572 nan 8.300 nan 0.000 0.463 423 F N 8.157 128.172 119.950 0.108 0.000 2.404 423 F HA 0.347 4.874 4.527 -0.001 0.000 0.358 423 F C 0.088 175.766 175.800 -0.203 0.000 1.120 423 F CA -0.249 57.783 58.000 0.054 0.000 1.144 423 F CB 0.667 39.773 39.000 0.177 0.000 1.133 423 F HN 0.542 nan 8.300 nan 0.000 0.495 424 N N 3.526 121.866 118.700 -0.599 0.000 2.536 424 N HA 0.075 4.815 4.740 -0.001 0.000 0.286 424 N C -1.381 173.893 175.510 -0.394 0.000 1.577 424 N CA -0.483 52.325 53.050 -0.403 0.000 0.883 424 N CB -0.726 37.690 38.487 -0.119 0.000 1.390 424 N HN 0.653 nan 8.380 nan 0.000 0.491 425 H N 0.689 119.221 119.070 -0.897 0.000 2.519 425 H HA 0.432 4.987 4.556 -0.001 0.000 0.316 425 H C -0.412 174.743 175.328 -0.287 0.000 1.065 425 H CA -0.562 55.147 56.048 -0.564 0.000 1.264 425 H CB 1.033 30.399 29.762 -0.659 0.000 1.413 425 H HN 0.129 nan 8.280 nan 0.000 0.465 426 R N 4.153 124.265 120.500 -0.647 0.000 2.234 426 R HA 0.477 4.817 4.340 -0.001 0.000 0.324 426 R C -0.516 175.545 176.300 -0.398 0.000 1.054 426 R CA -0.544 55.356 56.100 -0.333 0.000 0.912 426 R CB 0.312 30.503 30.300 -0.182 0.000 1.030 426 R HN 0.806 nan 8.270 nan 0.000 0.455 427 A N 3.234 126.122 122.820 0.113 0.000 2.567 427 A HA -0.014 4.305 4.320 -0.001 0.000 0.240 427 A C 1.321 178.985 177.584 0.133 0.000 1.053 427 A CA 0.565 52.820 52.037 0.363 0.000 0.755 427 A CB 0.254 19.573 19.000 0.532 0.000 0.978 427 A HN 1.023 nan 8.150 nan 0.000 0.507 428 S N 1.691 117.497 115.700 0.177 0.000 2.447 428 S HA -0.167 4.303 4.470 -0.001 0.000 0.233 428 S C 0.912 175.499 174.600 -0.023 0.000 1.006 428 S CA 1.147 59.388 58.200 0.069 0.000 0.957 428 S CB -0.419 62.848 63.200 0.110 0.000 0.773 428 S HN 0.930 nan 8.310 nan 0.000 0.507 429 N N 0.716 119.356 118.700 -0.100 0.000 2.238 429 N HA 0.238 4.978 4.740 -0.001 0.000 0.222 429 N C -0.154 175.270 175.510 -0.144 0.000 1.133 429 N CA -0.363 52.579 53.050 -0.180 0.000 0.854 429 N CB -0.634 37.632 38.487 -0.369 0.000 1.041 429 N HN 0.380 nan 8.380 nan 0.000 0.510 430 L N 1.244 122.421 121.223 -0.076 0.000 2.490 430 L HA -0.004 4.335 4.340 -0.001 0.000 0.274 430 L C 1.415 178.239 176.870 -0.078 0.000 1.201 430 L CA -0.273 54.524 54.840 -0.072 0.000 0.869 430 L CB 1.016 43.036 42.059 -0.066 0.000 1.123 430 L HN 0.163 nan 8.230 nan 0.000 0.484 431 V N -0.541 119.294 119.914 -0.131 0.000 3.647 431 V HA 0.110 4.230 4.120 -0.001 0.000 0.279 431 V C 0.401 176.495 176.094 0.000 0.000 1.314 431 V CA -0.566 61.664 62.300 -0.117 0.000 1.125 431 V CB -0.836 30.837 31.823 -0.249 0.000 0.907 431 V HN 0.587 nan 8.190 nan 0.000 0.434 432 W N 2.011 123.325 121.300 0.022 0.000 2.184 432 W HA 0.516 5.176 4.660 -0.001 0.000 0.338 432 W C -1.712 174.721 176.519 -0.143 0.000 1.257 432 W CA -2.068 55.270 57.345 -0.012 0.000 1.243 432 W CB 0.022 29.407 29.460 -0.126 0.000 1.122 432 W HN 0.011 nan 8.180 nan 0.000 0.585 433 P HA -0.036 nan 4.420 nan 0.000 0.270 433 P C 0.046 177.260 177.300 -0.143 0.000 1.223 433 P CA 0.362 63.421 63.100 -0.068 0.000 0.785 433 P CB 0.807 32.450 31.700 -0.096 0.000 0.923 434 E N 0.808 120.995 120.200 -0.022 0.000 2.153 434 E HA -0.137 4.212 4.350 -0.001 0.000 0.194 434 E C 1.836 178.463 176.600 0.046 0.000 0.988 434 E CA 1.081 57.489 56.400 0.013 0.000 0.811 434 E CB -0.321 29.420 29.700 0.068 0.000 0.746 434 E HN 0.679 nan 8.360 nan 0.000 0.466 435 W N 0.506 121.857 121.300 0.086 0.000 2.387 435 W HA -0.138 4.522 4.660 -0.001 0.000 0.272 435 W C 1.357 177.948 176.519 0.121 0.000 1.224 435 W CA 0.556 57.961 57.345 0.101 0.000 1.210 435 W CB -0.603 28.921 29.460 0.107 0.000 1.125 435 W HN 0.024 nan 8.180 nan 0.000 0.572 436 M N 1.252 120.569 119.600 -0.471 0.000 2.562 436 M HA 0.144 4.624 4.480 -0.001 0.000 0.257 436 M C 1.717 177.942 176.300 -0.126 0.000 1.099 436 M CA 1.520 56.521 55.300 -0.497 0.000 1.099 436 M CB -0.614 31.505 32.600 -0.801 0.000 1.427 436 M HN 0.172 nan 8.290 nan 0.000 0.489 437 G N 0.469 109.241 108.800 -0.048 0.000 2.550 437 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.277 437 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.277 437 G C -0.224 174.676 174.900 0.000 0.000 1.190 437 G CA -0.275 44.835 45.100 0.017 0.000 0.971 437 G HN 0.202 nan 8.290 nan 0.000 0.559 438 V N 1.864 121.803 119.914 0.042 0.000 2.313 438 V HA 0.417 4.536 4.120 -0.001 0.000 0.252 438 V C 1.038 177.229 176.094 0.160 0.000 1.112 438 V CA -0.062 62.294 62.300 0.094 0.000 0.984 438 V CB 0.068 31.930 31.823 0.065 0.000 1.157 438 V HN 0.533 nan 8.190 nan 0.000 0.493 439 I N 3.075 123.737 120.570 0.152 0.000 2.575 439 I HA 0.182 4.352 4.170 -0.001 0.000 0.285 439 I C 0.939 177.231 176.117 0.292 0.000 1.085 439 I CA -0.619 60.770 61.300 0.148 0.000 1.403 439 I CB 0.345 38.323 38.000 -0.035 0.000 1.409 439 I HN 0.600 nan 8.210 nan 0.000 0.557 440 H N 4.687 123.828 119.070 0.118 0.000 3.209 440 H HA 0.003 4.558 4.556 -0.001 0.000 0.297 440 H C 1.084 176.394 175.328 -0.031 0.000 0.936 440 H CA 1.318 57.401 56.048 0.059 0.000 1.392 440 H CB 0.148 29.930 29.762 0.034 0.000 1.349 440 H HN 0.793 nan 8.280 nan 0.000 0.568 441 G N 3.357 111.943 108.800 -0.357 0.000 2.195 441 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.246 441 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.246 441 G C 0.561 175.351 174.900 -0.183 0.000 0.984 441 G CA 0.441 45.302 45.100 -0.398 0.000 0.633 441 G HN 0.654 nan 8.290 nan 0.000 0.525 442 Y N 1.187 121.557 120.300 0.117 0.000 2.524 442 Y HA 0.262 4.812 4.550 -0.001 0.000 0.266 442 Y C 2.235 178.247 175.900 0.186 0.000 1.180 442 Y CA 0.742 58.987 58.100 0.241 0.000 1.244 442 Y CB 0.508 39.149 38.460 0.302 0.000 1.125 442 Y HN 0.459 nan 8.280 nan 0.000 0.524 443 E N 0.344 120.466 120.200 -0.130 0.000 2.318 443 E HA -0.068 4.282 4.350 -0.001 0.000 0.193 443 E C 1.629 178.144 176.600 -0.143 0.000 0.998 443 E CA 0.734 56.744 56.400 -0.650 0.000 0.859 443 E CB -0.371 28.614 29.700 -1.190 0.000 0.812 443 E HN 0.536 nan 8.360 nan 0.000 0.492 444 I N 2.714 123.285 120.570 0.002 0.000 2.151 444 I HA -0.318 3.852 4.170 -0.001 0.000 0.243 444 I C 2.678 178.841 176.117 0.077 0.000 1.080 444 I CA 2.186 63.547 61.300 0.101 0.000 1.339 444 I CB -0.544 37.566 38.000 0.184 0.000 1.039 444 I HN 0.235 nan 8.210 nan 0.000 0.409 445 E N 0.985 121.184 120.200 -0.002 0.000 2.209 445 E HA -0.239 4.111 4.350 -0.001 0.000 0.196 445 E C 2.052 178.502 176.600 -0.250 0.000 0.993 445 E CA 1.504 57.826 56.400 -0.131 0.000 0.819 445 E CB -0.551 29.059 29.700 -0.150 0.000 0.745 445 E HN 0.450 nan 8.360 nan 0.000 0.477 446 F N 1.195 121.058 119.950 -0.145 0.000 2.234 446 F HA -0.052 4.474 4.527 -0.001 0.000 0.296 446 F C 2.397 178.021 175.800 -0.294 0.000 1.089 446 F CA 0.633 58.507 58.000 -0.210 0.000 1.343 446 F CB -0.144 38.780 39.000 -0.126 0.000 1.040 446 F HN -0.134 nan 8.300 nan 0.000 0.498 447 V N -1.020 118.791 119.914 -0.171 0.000 2.427 447 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 447 V C 1.672 177.542 176.094 -0.374 0.000 1.051 447 V CA 1.595 63.633 62.300 -0.436 0.000 1.048 447 V CB -0.648 30.912 31.823 -0.438 0.000 0.666 447 V HN 0.208 nan 8.190 nan 0.000 0.456 448 F N 0.487 120.301 119.950 -0.227 0.000 2.797 448 F HA 0.395 4.922 4.527 -0.001 0.000 0.302 448 F C 1.821 177.535 175.800 -0.145 0.000 1.130 448 F CA 0.669 58.566 58.000 -0.172 0.000 1.387 448 F CB -0.300 38.576 39.000 -0.207 0.000 1.107 448 F HN 0.264 nan 8.300 nan 0.000 0.577 449 G N 0.473 109.197 108.800 -0.127 0.000 2.160 449 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.251 449 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.251 449 G C 1.156 175.755 174.900 -0.502 0.000 1.008 449 G CA 0.412 45.365 45.100 -0.244 0.000 0.724 449 G HN 0.390 nan 8.290 nan 0.000 0.514 450 L N -0.513 120.392 121.223 -0.530 0.000 2.127 450 L HA -0.069 4.271 4.340 -0.001 0.000 0.211 450 L C 0.009 176.460 176.870 -0.699 0.000 1.089 450 L CA 1.933 56.401 54.840 -0.619 0.000 0.757 450 L CB -1.374 40.460 42.059 -0.375 0.000 0.899 450 L HN 0.199 nan 8.230 nan 0.000 0.434 451 P HA -0.108 nan 4.420 nan 0.000 0.236 451 P C 1.414 178.462 177.300 -0.421 0.000 1.172 451 P CA 0.815 63.307 63.100 -1.013 0.000 0.759 451 P CB 0.086 31.129 31.700 -1.094 0.000 0.843 452 L N -2.028 118.954 121.223 -0.401 0.000 2.509 452 L HA 0.014 4.353 4.340 -0.001 0.000 0.222 452 L C 0.655 177.393 176.870 -0.220 0.000 1.123 452 L CA 0.686 55.373 54.840 -0.255 0.000 0.856 452 L CB -0.419 41.505 42.059 -0.226 0.000 0.985 452 L HN -0.252 nan 8.230 nan 0.000 0.456 453 V N 0.111 119.854 119.914 -0.285 0.000 2.356 453 V HA 0.093 4.212 4.120 -0.001 0.000 0.258 453 V C 1.425 177.475 176.094 -0.073 0.000 1.065 453 V CA -0.501 61.689 62.300 -0.184 0.000 0.935 453 V CB 0.696 32.377 31.823 -0.238 0.000 1.061 453 V HN 0.166 nan 8.190 nan 0.000 0.484 454 K N 3.617 123.988 120.400 -0.049 0.000 2.077 454 K HA -0.230 4.090 4.320 -0.001 0.000 0.213 454 K C 1.799 178.388 176.600 -0.018 0.000 1.051 454 K CA 1.898 58.172 56.287 -0.022 0.000 0.929 454 K CB -0.190 32.297 32.500 -0.023 0.000 0.715 454 K HN 0.754 nan 8.250 nan 0.000 0.451 455 E N 0.058 120.240 120.200 -0.029 0.000 2.333 455 E HA -0.096 4.254 4.350 -0.001 0.000 0.198 455 E C 1.456 178.027 176.600 -0.048 0.000 1.007 455 E CA 0.629 57.008 56.400 -0.036 0.000 0.845 455 E CB -0.138 29.540 29.700 -0.037 0.000 0.766 455 E HN 0.255 nan 8.360 nan 0.000 0.507 456 L N 0.363 121.566 121.223 -0.033 0.000 2.554 456 L HA 0.064 4.404 4.340 -0.001 0.000 0.226 456 L C -0.102 176.683 176.870 -0.143 0.000 1.137 456 L CA -0.078 54.728 54.840 -0.057 0.000 0.863 456 L CB -0.306 41.778 42.059 0.041 0.000 0.985 456 L HN 0.131 nan 8.230 nan 0.000 0.451 457 N N -1.303 117.356 118.700 -0.068 0.000 2.816 457 N HA -0.207 4.533 4.740 -0.001 0.000 0.247 457 N C -0.620 174.814 175.510 -0.128 0.000 1.100 457 N CA 0.753 53.745 53.050 -0.095 0.000 0.687 457 N CB -1.788 36.619 38.487 -0.132 0.000 1.003 457 N HN 0.285 nan 8.380 nan 0.000 0.554 458 Y N 0.384 120.651 120.300 -0.055 0.000 2.340 458 Y HA 0.380 4.930 4.550 -0.001 0.000 0.327 458 Y C 1.902 177.801 175.900 -0.000 0.000 1.321 458 Y CA -0.022 58.063 58.100 -0.024 0.000 1.433 458 Y CB 0.491 38.910 38.460 -0.069 0.000 1.373 458 Y HN 0.106 nan 8.280 nan 0.000 0.538 459 T N -2.044 112.640 114.554 0.218 0.000 2.847 459 T HA 0.448 4.797 4.350 -0.001 0.000 0.279 459 T C 1.178 175.937 174.700 0.098 0.000 0.984 459 T CA -0.293 61.883 62.100 0.128 0.000 0.988 459 T CB 1.228 70.170 68.868 0.123 0.000 1.040 459 T HN 0.759 nan 8.240 nan 0.000 0.528 460 A N 0.692 123.545 122.820 0.055 0.000 1.940 460 A HA -0.092 4.227 4.320 -0.001 0.000 0.219 460 A C 2.141 179.737 177.584 0.021 0.000 1.176 460 A CA 1.868 53.922 52.037 0.028 0.000 0.631 460 A CB -1.102 17.908 19.000 0.018 0.000 0.814 460 A HN 0.935 nan 8.150 nan 0.000 0.446 461 E N -0.029 120.188 120.200 0.027 0.000 2.150 461 E HA -0.126 4.223 4.350 -0.001 0.000 0.193 461 E C 1.887 178.482 176.600 -0.010 0.000 0.985 461 E CA 1.362 57.761 56.400 -0.001 0.000 0.814 461 E CB -0.166 29.529 29.700 -0.008 0.000 0.752 461 E HN 0.773 nan 8.360 nan 0.000 0.466 462 E N 0.309 120.547 120.200 0.064 0.000 2.158 462 E HA -0.162 4.187 4.350 -0.001 0.000 0.191 462 E C 1.956 178.613 176.600 0.095 0.000 0.982 462 E CA 0.743 57.252 56.400 0.183 0.000 0.823 462 E CB 0.055 29.989 29.700 0.389 0.000 0.766 462 E HN 0.319 nan 8.360 nan 0.000 0.468 463 E N 1.064 121.264 120.200 0.000 0.000 2.072 463 E HA -0.189 4.161 4.350 -0.001 0.000 0.191 463 E C 2.020 178.594 176.600 -0.044 0.000 0.985 463 E CA 1.047 57.405 56.400 -0.069 0.000 0.801 463 E CB -0.054 29.608 29.700 -0.063 0.000 0.750 463 E HN 0.194 nan 8.360 nan 0.000 0.452 464 A N 1.074 123.878 122.820 -0.026 0.000 1.933 464 A HA -0.149 4.171 4.320 -0.001 0.000 0.218 464 A C 2.146 179.706 177.584 -0.040 0.000 1.175 464 A CA 1.344 53.358 52.037 -0.038 0.000 0.628 464 A CB -0.637 18.341 19.000 -0.035 0.000 0.814 464 A HN 0.412 nan 8.150 nan 0.000 0.444 465 L N -0.368 120.844 121.223 -0.018 0.000 2.027 465 L HA -0.064 4.276 4.340 -0.001 0.000 0.206 465 L C 2.543 179.437 176.870 0.041 0.000 1.074 465 L CA 2.568 57.393 54.840 -0.024 0.000 0.745 465 L CB -0.946 41.050 42.059 -0.106 0.000 0.898 465 L HN 0.321 nan 8.230 nan 0.000 0.433 466 S N -0.583 115.207 115.700 0.150 0.000 2.365 466 S HA -0.252 4.218 4.470 -0.001 0.000 0.225 466 S C 2.205 176.773 174.600 -0.054 0.000 1.039 466 S CA 1.654 59.899 58.200 0.075 0.000 1.033 466 S CB -0.244 62.907 63.200 -0.082 0.000 0.887 466 S HN 0.536 nan 8.310 nan 0.000 0.447 467 R N 0.239 120.700 120.500 -0.066 0.000 2.081 467 R HA 0.022 4.362 4.340 -0.001 0.000 0.235 467 R C 2.795 179.042 176.300 -0.089 0.000 1.131 467 R CA 1.423 57.476 56.100 -0.077 0.000 0.960 467 R CB -0.278 29.974 30.300 -0.081 0.000 0.856 467 R HN 0.387 nan 8.270 nan 0.000 0.436 468 R N 0.412 120.836 120.500 -0.128 0.000 2.073 468 R HA -0.110 4.230 4.340 -0.001 0.000 0.234 468 R C 2.342 178.460 176.300 -0.304 0.000 1.134 468 R CA 1.491 57.433 56.100 -0.262 0.000 0.952 468 R CB -0.384 29.766 30.300 -0.250 0.000 0.850 468 R HN 0.235 nan 8.270 nan 0.000 0.433 469 I N 0.597 121.087 120.570 -0.132 0.000 2.179 469 I HA -0.312 3.857 4.170 -0.001 0.000 0.242 469 I C 2.551 178.604 176.117 -0.106 0.000 1.088 469 I CA 1.389 62.630 61.300 -0.098 0.000 1.357 469 I CB -0.216 37.595 38.000 -0.316 0.000 1.051 469 I HN 0.204 nan 8.210 nan 0.000 0.409 470 M N -0.530 118.985 119.600 -0.142 0.000 2.106 470 M HA -0.285 4.194 4.480 -0.001 0.000 0.259 470 M C 2.418 178.775 176.300 0.095 0.000 1.068 470 M CA 1.897 57.151 55.300 -0.076 0.000 1.100 470 M CB -0.762 31.793 32.600 -0.074 0.000 1.351 470 M HN 0.303 nan 8.290 nan 0.000 0.404 471 H N -0.549 118.513 119.070 -0.015 0.000 2.403 471 H HA -0.104 4.452 4.556 -0.001 0.000 0.298 471 H C 1.553 176.978 175.328 0.163 0.000 1.059 471 H CA 1.638 57.696 56.048 0.018 0.000 1.363 471 H CB 0.042 29.765 29.762 -0.065 0.000 1.410 471 H HN 0.245 nan 8.280 nan 0.000 0.528 472 Y N -0.494 119.945 120.300 0.230 0.000 2.097 472 Y HA -0.297 4.253 4.550 -0.001 0.000 0.282 472 Y C 2.533 178.616 175.900 0.305 0.000 1.152 472 Y CA 1.305 59.590 58.100 0.309 0.000 1.136 472 Y CB -1.139 37.718 38.460 0.662 0.000 0.975 472 Y HN 0.376 nan 8.280 nan 0.000 0.498 473 W N -0.644 120.750 121.300 0.156 0.000 2.335 473 W HA -0.229 4.430 4.660 -0.000 0.000 0.311 473 W C 2.573 179.083 176.519 -0.015 0.000 1.213 473 W CA 1.151 58.517 57.345 0.035 0.000 1.274 473 W CB -0.485 28.934 29.460 -0.068 0.000 1.148 473 W HN 0.073 nan 8.180 nan 0.000 0.498 474 A N -0.115 122.802 122.820 0.161 0.000 1.897 474 A HA -0.123 4.197 4.320 -0.001 0.000 0.215 474 A C 1.811 179.367 177.584 -0.047 0.000 1.181 474 A CA 1.998 54.047 52.037 0.018 0.000 0.620 474 A CB -1.144 17.863 19.000 0.011 0.000 0.821 474 A HN 0.175 nan 8.150 nan 0.000 0.443 475 T N -0.560 113.922 114.554 -0.121 0.000 2.788 475 T HA -0.127 4.223 4.350 -0.001 0.000 0.268 475 T C 1.595 176.234 174.700 -0.102 0.000 1.044 475 T CA 1.540 63.539 62.100 -0.168 0.000 1.139 475 T CB -0.391 68.303 68.868 -0.289 0.000 0.867 475 T HN 0.502 nan 8.240 nan 0.000 0.454 476 F N 2.320 122.157 119.950 -0.189 0.000 2.134 476 F HA 0.050 4.577 4.527 -0.001 0.000 0.299 476 F C 2.405 178.106 175.800 -0.166 0.000 1.097 476 F CA 0.889 58.740 58.000 -0.248 0.000 1.264 476 F CB -0.626 38.159 39.000 -0.358 0.000 1.001 476 F HN 0.136 nan 8.300 nan 0.000 0.479 477 A N 0.413 123.143 122.820 -0.150 0.000 1.902 477 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 477 A C 2.272 179.721 177.584 -0.224 0.000 1.181 477 A CA 1.879 53.795 52.037 -0.201 0.000 0.623 477 A CB -0.679 18.277 19.000 -0.074 0.000 0.818 477 A HN 0.470 nan 8.150 nan 0.000 0.443 478 K N -1.209 119.092 120.400 -0.165 0.000 2.057 478 K HA -0.085 4.235 4.320 -0.001 0.000 0.206 478 K C 1.868 178.374 176.600 -0.157 0.000 1.050 478 K CA 1.787 57.999 56.287 -0.126 0.000 0.935 478 K CB -0.094 32.356 32.500 -0.083 0.000 0.715 478 K HN 0.722 nan 8.250 nan 0.000 0.439 479 T N -5.289 109.138 114.554 -0.211 0.000 2.969 479 T HA 0.240 4.590 4.350 -0.001 0.000 0.258 479 T C 1.173 175.730 174.700 -0.239 0.000 0.962 479 T CA 0.379 62.371 62.100 -0.179 0.000 0.903 479 T CB 1.159 69.952 68.868 -0.125 0.000 1.177 479 T HN 0.261 nan 8.240 nan 0.000 0.511 480 G N 1.554 110.080 108.800 -0.457 0.000 2.141 480 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.242 480 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.242 480 G C -0.210 174.575 174.900 -0.191 0.000 0.982 480 G CA 0.015 44.792 45.100 -0.539 0.000 0.662 480 G HN 0.837 nan 8.290 nan 0.000 0.527 481 N N -0.238 118.344 118.700 -0.196 0.000 2.478 481 N HA 0.426 5.165 4.740 -0.001 0.000 0.291 481 N C -1.698 173.644 175.510 -0.281 0.000 1.090 481 N CA -1.480 51.421 53.050 -0.248 0.000 0.911 481 N CB 2.447 40.877 38.487 -0.094 0.000 1.546 481 N HN -0.062 nan 8.380 nan 0.000 0.500 482 P HA -0.036 nan 4.420 nan 0.000 0.226 482 P C -0.486 176.836 177.300 0.036 0.000 1.153 482 P CA 0.560 63.533 63.100 -0.212 0.000 0.777 482 P CB 0.306 31.703 31.700 -0.504 0.000 0.794 483 N N 1.728 120.409 118.700 -0.032 0.000 2.514 483 N HA 0.080 4.819 4.740 -0.001 0.000 0.277 483 N C 0.339 175.880 175.510 0.052 0.000 1.126 483 N CA -0.066 53.047 53.050 0.105 0.000 0.978 483 N CB 0.926 39.476 38.487 0.106 0.000 1.106 483 N HN 0.091 nan 8.380 nan 0.000 0.461 484 E N 2.280 122.541 120.200 0.101 0.000 2.376 484 E HA 0.119 4.469 4.350 -0.001 0.000 0.266 484 E C -2.004 174.606 176.600 0.016 0.000 1.009 484 E CA -1.203 55.243 56.400 0.076 0.000 0.902 484 E CB 0.288 30.076 29.700 0.147 0.000 0.972 484 E HN 0.292 nan 8.360 nan 0.000 0.439 485 P HA -0.029 nan 4.420 nan 0.000 0.268 485 P C -0.714 176.474 177.300 -0.186 0.000 1.205 485 P CA 0.158 63.103 63.100 -0.258 0.000 0.771 485 P CB 0.292 31.794 31.700 -0.330 0.000 0.858 486 H N -1.537 117.567 119.070 0.057 0.000 2.592 486 H HA -0.135 4.421 4.556 -0.001 0.000 0.323 486 H C 0.179 175.541 175.328 0.057 0.000 1.117 486 H CA 0.876 56.955 56.048 0.052 0.000 1.120 486 H CB -1.841 27.945 29.762 0.041 0.000 1.561 486 H HN 0.458 nan 8.280 nan 0.000 0.409 487 S N -0.324 115.448 115.700 0.121 0.000 2.664 487 S HA 0.365 4.835 4.470 -0.001 0.000 0.304 487 S C 1.082 175.740 174.600 0.098 0.000 1.099 487 S CA -0.728 57.537 58.200 0.108 0.000 1.003 487 S CB 2.243 65.509 63.200 0.110 0.000 1.092 487 S HN 0.319 nan 8.310 nan 0.000 0.525 488 Q N 0.586 120.437 119.800 0.084 0.000 2.319 488 Q HA 0.272 4.611 4.340 -0.001 0.000 0.209 488 Q C -0.264 175.780 176.000 0.074 0.000 0.884 488 Q CA 0.279 56.125 55.803 0.072 0.000 0.938 488 Q CB 0.095 28.866 28.738 0.056 0.000 1.098 488 Q HN 0.657 nan 8.270 nan 0.000 0.517 489 E N 1.185 121.438 120.200 0.087 0.000 2.369 489 E HA 0.126 4.475 4.350 -0.001 0.000 0.255 489 E C -0.308 176.364 176.600 0.120 0.000 1.172 489 E CA -0.051 56.408 56.400 0.098 0.000 0.932 489 E CB 0.620 30.386 29.700 0.110 0.000 1.040 489 E HN -0.056 nan 8.360 nan 0.000 0.454 490 S N 1.887 117.660 115.700 0.122 0.000 2.549 490 S HA 0.074 4.544 4.470 -0.001 0.000 0.286 490 S C -0.098 174.612 174.600 0.184 0.000 1.314 490 S CA -0.340 57.935 58.200 0.125 0.000 1.062 490 S CB 0.308 63.568 63.200 0.099 0.000 0.865 490 S HN 0.207 nan 8.310 nan 0.000 0.498 491 K N 2.054 122.556 120.400 0.171 0.000 2.258 491 K HA 0.108 4.428 4.320 -0.001 0.000 0.284 491 K C -0.415 176.355 176.600 0.283 0.000 1.051 491 K CA -0.393 56.027 56.287 0.221 0.000 0.923 491 K CB 0.654 33.259 32.500 0.174 0.000 1.046 491 K HN 0.725 nan 8.250 nan 0.000 0.474 492 W N 7.595 128.956 121.300 0.101 0.000 2.605 492 W HA 0.108 4.768 4.660 -0.001 0.000 0.327 492 W C -2.234 174.414 176.519 0.214 0.000 1.332 492 W CA -2.295 55.105 57.345 0.092 0.000 1.403 492 W CB -0.294 29.121 29.460 -0.075 0.000 1.452 492 W HN 0.384 nan 8.180 nan 0.000 0.503 493 P HA 0.026 nan 4.420 nan 0.000 0.276 493 P C -0.405 177.064 177.300 0.280 0.000 1.244 493 P CA -0.631 62.675 63.100 0.343 0.000 0.801 493 P CB 1.339 33.163 31.700 0.207 0.000 1.006 494 L N 2.335 123.580 121.223 0.036 0.000 2.485 494 L HA 0.121 4.461 4.340 -0.001 0.000 0.275 494 L C 0.181 177.025 176.870 -0.044 0.000 1.207 494 L CA -0.224 54.451 54.840 -0.274 0.000 0.855 494 L CB -1.191 40.738 42.059 -0.216 0.000 1.114 494 L HN 0.273 nan 8.230 nan 0.000 0.485 495 F N 3.960 123.804 119.950 -0.177 0.000 2.445 495 F HA 0.444 4.971 4.527 -0.001 0.000 0.359 495 F C 0.401 176.172 175.800 -0.049 0.000 1.101 495 F CA -0.332 57.655 58.000 -0.021 0.000 1.177 495 F CB 0.586 39.602 39.000 0.027 0.000 1.110 495 F HN 0.621 nan 8.300 nan 0.000 0.522 496 T N 1.268 115.543 114.554 -0.465 0.000 2.924 496 T HA 0.268 4.617 4.350 -0.001 0.000 0.291 496 T C 0.924 175.335 174.700 -0.482 0.000 1.045 496 T CA -0.433 61.490 62.100 -0.295 0.000 1.015 496 T CB 1.494 70.256 68.868 -0.176 0.000 1.103 496 T HN 0.536 nan 8.240 nan 0.000 0.496 497 T N 0.885 115.325 114.554 -0.190 0.000 2.699 497 T HA -0.155 4.194 4.350 -0.001 0.000 0.268 497 T C 1.777 176.382 174.700 -0.158 0.000 1.036 497 T CA 2.079 64.108 62.100 -0.118 0.000 1.147 497 T CB -0.334 68.504 68.868 -0.049 0.000 0.862 497 T HN 0.797 nan 8.240 nan 0.000 0.446 498 K N 0.654 120.964 120.400 -0.151 0.000 2.021 498 K HA 0.004 4.324 4.320 -0.001 0.000 0.205 498 K C 2.181 178.700 176.600 -0.135 0.000 1.047 498 K CA 1.154 57.373 56.287 -0.113 0.000 0.943 498 K CB 0.134 32.585 32.500 -0.081 0.000 0.725 498 K HN 0.255 nan 8.250 nan 0.000 0.439 499 E N 0.064 120.154 120.200 -0.184 0.000 2.364 499 E HA -0.015 4.335 4.350 -0.001 0.000 0.196 499 E C -0.312 176.162 176.600 -0.210 0.000 0.990 499 E CA 0.093 56.401 56.400 -0.153 0.000 0.886 499 E CB 0.572 30.206 29.700 -0.109 0.000 0.866 499 E HN 0.298 nan 8.360 nan 0.000 0.493 500 Q N 1.039 120.549 119.800 -0.483 0.000 2.468 500 Q HA -0.183 4.157 4.340 -0.001 0.000 0.289 500 Q C -0.749 175.181 176.000 -0.115 0.000 1.299 500 Q CA 0.641 56.019 55.803 -0.709 0.000 0.838 500 Q CB -1.437 27.135 28.738 -0.278 0.000 1.195 500 Q HN 0.148 nan 8.270 nan 0.000 0.456 501 K N 0.637 121.002 120.400 -0.058 0.000 2.237 501 K HA 0.562 4.881 4.320 -0.001 0.000 0.270 501 K C -0.024 176.877 176.600 0.502 0.000 1.015 501 K CA 0.038 56.431 56.287 0.178 0.000 0.949 501 K CB 0.500 33.047 32.500 0.078 0.000 0.976 501 K HN 0.209 nan 8.250 nan 0.000 0.472 502 F N 0.106 120.217 119.950 0.269 0.000 2.715 502 F HA 0.635 5.161 4.527 -0.001 0.000 0.318 502 F C -1.043 174.861 175.800 0.173 0.000 1.141 502 F CA -1.589 56.600 58.000 0.314 0.000 0.950 502 F CB 0.680 39.878 39.000 0.331 0.000 1.374 502 F HN 0.386 nan 8.300 nan 0.000 0.477 503 I N -0.380 120.302 120.570 0.186 0.000 2.740 503 I HA 0.669 4.839 4.170 -0.001 0.000 0.303 503 I C -1.345 174.922 176.117 0.250 0.000 1.044 503 I CA -1.057 60.205 61.300 -0.063 0.000 1.064 503 I CB 2.003 39.747 38.000 -0.427 0.000 1.249 503 I HN 0.670 nan 8.210 nan 0.000 0.433 504 D N 4.570 125.115 120.400 0.241 0.000 2.313 504 D HA 0.473 5.113 4.640 -0.001 0.000 0.247 504 D C -0.705 175.687 176.300 0.154 0.000 1.094 504 D CA -0.241 53.978 54.000 0.364 0.000 0.925 504 D CB 1.401 42.446 40.800 0.408 0.000 1.188 504 D HN 0.567 nan 8.370 nan 0.000 0.430 505 L N 2.018 123.336 121.223 0.158 0.000 2.316 505 L HA 0.447 4.787 4.340 -0.001 0.000 0.280 505 L C -0.530 176.252 176.870 -0.148 0.000 1.006 505 L CA -0.525 54.345 54.840 0.049 0.000 0.836 505 L CB 0.371 42.535 42.059 0.175 0.000 1.221 505 L HN 0.664 nan 8.230 nan 0.000 0.418 506 N N -0.551 118.066 118.700 -0.138 0.000 3.441 506 N HA 0.129 4.868 4.740 -0.001 0.000 0.313 506 N C 0.203 175.602 175.510 -0.185 0.000 1.526 506 N CA -0.190 52.728 53.050 -0.219 0.000 0.871 506 N CB 0.500 38.923 38.487 -0.108 0.000 1.779 506 N HN 0.158 nan 8.380 nan 0.000 0.529 507 T N -3.535 110.898 114.554 -0.202 0.000 3.129 507 T HA 0.238 4.588 4.350 -0.001 0.000 0.251 507 T C -0.018 174.644 174.700 -0.063 0.000 1.117 507 T CA 0.302 62.298 62.100 -0.173 0.000 1.034 507 T CB -0.439 68.291 68.868 -0.231 0.000 0.968 507 T HN 0.509 nan 8.240 nan 0.000 0.526 508 E N 2.010 122.194 120.200 -0.027 0.000 2.312 508 E HA 0.387 4.737 4.350 -0.001 0.000 0.259 508 E C -2.604 173.998 176.600 0.004 0.000 1.122 508 E CA -2.485 53.916 56.400 0.002 0.000 0.922 508 E CB 0.154 29.869 29.700 0.025 0.000 1.109 508 E HN 0.156 nan 8.360 nan 0.000 0.442 509 P HA -0.071 nan 4.420 nan 0.000 0.268 509 P C -0.458 176.848 177.300 0.010 0.000 1.204 509 P CA 0.260 63.368 63.100 0.013 0.000 0.768 509 P CB 0.358 32.066 31.700 0.012 0.000 0.842 510 M N 3.580 123.189 119.600 0.016 0.000 2.286 510 M HA -0.064 4.416 4.480 -0.001 0.000 0.365 510 M C -0.358 175.912 176.300 -0.050 0.000 1.443 510 M CA 1.191 56.489 55.300 -0.002 0.000 0.951 510 M CB -0.069 32.547 32.600 0.027 0.000 1.961 510 M HN 0.247 nan 8.290 nan 0.000 0.468 511 K N 4.085 124.424 120.400 -0.103 0.000 2.259 511 K HA 0.584 4.904 4.320 -0.001 0.000 0.252 511 K C -1.361 174.966 176.600 -0.456 0.000 0.936 511 K CA -0.879 55.255 56.287 -0.254 0.000 0.810 511 K CB 2.400 34.747 32.500 -0.255 0.000 1.143 511 K HN 0.533 nan 8.250 nan 0.000 0.427 512 V N 4.220 123.833 119.914 -0.501 0.000 2.427 512 V HA 0.299 4.418 4.120 -0.001 0.000 0.286 512 V C -0.123 175.505 176.094 -0.776 0.000 1.034 512 V CA -0.574 61.426 62.300 -0.499 0.000 0.893 512 V CB 1.093 32.783 31.823 -0.222 0.000 0.982 512 V HN 0.725 nan 8.190 nan 0.000 0.452 513 H N 3.124 121.839 119.070 -0.591 0.000 2.869 513 H HA 0.665 5.220 4.556 -0.001 0.000 0.342 513 H C -1.030 173.973 175.328 -0.542 0.000 1.250 513 H CA -0.845 54.809 56.048 -0.657 0.000 1.217 513 H CB 2.193 31.372 29.762 -0.971 0.000 1.917 513 H HN 0.556 nan 8.280 nan 0.000 0.586 514 Q N 0.078 119.862 119.800 -0.027 0.000 2.423 514 Q HA 0.384 4.723 4.340 -0.001 0.000 0.278 514 Q C -0.650 175.582 176.000 0.387 0.000 1.097 514 Q CA -0.946 54.969 55.803 0.185 0.000 0.809 514 Q CB 2.812 31.596 28.738 0.075 0.000 1.391 514 Q HN 0.464 nan 8.270 nan 0.000 0.428 515 R N 0.872 121.598 120.500 0.377 0.000 3.146 515 R HA -0.202 4.138 4.340 -0.001 0.000 0.250 515 R C -0.663 175.788 176.300 0.252 0.000 0.912 515 R CA -0.041 56.223 56.100 0.273 0.000 0.633 515 R CB -1.666 28.731 30.300 0.163 0.000 1.180 515 R HN 0.593 nan 8.270 nan 0.000 0.464 516 L N 1.948 123.269 121.223 0.162 0.000 2.660 516 L HA -0.063 4.277 4.340 -0.001 0.000 0.272 516 L C 0.947 177.778 176.870 -0.065 0.000 1.194 516 L CA 0.656 55.352 54.840 -0.239 0.000 0.945 516 L CB 0.035 41.623 42.059 -0.785 0.000 1.212 516 L HN 0.450 nan 8.230 nan 0.000 0.490 517 R N 2.260 122.737 120.500 -0.039 0.000 3.405 517 R HA -0.223 4.117 4.340 -0.001 0.000 0.258 517 R C 1.085 177.447 176.300 0.103 0.000 1.030 517 R CA 0.609 56.734 56.100 0.042 0.000 0.691 517 R CB -1.673 28.670 30.300 0.071 0.000 1.093 517 R HN 0.687 nan 8.270 nan 0.000 0.448 518 V N 0.221 120.194 119.914 0.099 0.000 2.407 518 V HA -0.316 3.804 4.120 -0.001 0.000 0.248 518 V C 2.308 178.474 176.094 0.121 0.000 1.055 518 V CA 2.563 64.935 62.300 0.120 0.000 1.049 518 V CB -0.020 31.870 31.823 0.112 0.000 0.662 518 V HN 0.464 nan 8.190 nan 0.000 0.455 519 Q N -0.666 119.188 119.800 0.089 0.000 2.002 519 Q HA -0.207 4.132 4.340 -0.001 0.000 0.204 519 Q C 2.136 178.198 176.000 0.102 0.000 0.988 519 Q CA 2.480 58.321 55.803 0.063 0.000 0.843 519 Q CB -0.373 28.370 28.738 0.009 0.000 0.908 519 Q HN 0.513 nan 8.270 nan 0.000 0.420 520 M N -0.890 118.790 119.600 0.134 0.000 2.159 520 M HA -0.151 4.329 4.480 -0.001 0.000 0.263 520 M C 2.369 178.949 176.300 0.467 0.000 1.063 520 M CA 1.022 56.481 55.300 0.265 0.000 1.110 520 M CB -1.310 31.499 32.600 0.349 0.000 1.374 520 M HN 0.348 nan 8.290 nan 0.000 0.411 521 c N -0.632 118.189 118.600 0.368 0.000 2.450 521 c HA -0.019 4.550 4.570 -0.001 0.000 0.279 521 c C 2.933 177.207 174.090 0.307 0.000 1.335 521 c CA 0.150 56.705 56.329 0.376 0.000 1.749 521 c CB -0.893 41.776 42.510 0.266 0.000 1.963 521 c HN 0.328 nan 8.230 nan 0.000 0.501 522 V N 0.823 120.879 119.914 0.237 0.000 2.343 522 V HA -0.253 3.866 4.120 -0.001 0.000 0.247 522 V C 2.086 178.305 176.094 0.208 0.000 1.051 522 V CA 2.372 64.787 62.300 0.191 0.000 1.036 522 V CB -0.834 31.073 31.823 0.141 0.000 0.654 522 V HN 0.564 nan 8.190 nan 0.000 0.451 523 F N -0.084 119.907 119.950 0.068 0.000 2.069 523 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 523 F C 2.028 177.819 175.800 -0.015 0.000 1.113 523 F CA 1.894 59.888 58.000 -0.010 0.000 1.214 523 F CB -0.438 38.445 39.000 -0.195 0.000 0.978 523 F HN 0.163 nan 8.300 nan 0.000 0.474 524 W N 0.399 121.813 121.300 0.190 0.000 2.436 524 W HA -0.110 4.549 4.660 -0.001 0.000 0.284 524 W C 2.075 178.580 176.519 -0.023 0.000 1.225 524 W CA 0.847 58.230 57.345 0.064 0.000 1.271 524 W CB -0.395 29.211 29.460 0.244 0.000 1.114 524 W HN -0.002 nan 8.180 nan 0.000 0.559 525 N N -1.034 117.791 118.700 0.210 0.000 2.415 525 N HA 0.001 4.740 4.740 -0.001 0.000 0.174 525 N C 1.390 176.916 175.510 0.027 0.000 1.048 525 N CA 0.904 54.007 53.050 0.088 0.000 0.895 525 N CB -0.043 38.525 38.487 0.135 0.000 1.036 525 N HN 0.314 nan 8.380 nan 0.000 0.449 526 Q N -1.146 118.684 119.800 0.051 0.000 2.606 526 Q HA 0.222 4.562 4.340 -0.001 0.000 0.215 526 Q C 1.240 177.246 176.000 0.011 0.000 0.908 526 Q CA -0.056 55.775 55.803 0.048 0.000 0.908 526 Q CB 0.097 28.895 28.738 0.100 0.000 1.120 526 Q HN 0.127 nan 8.270 nan 0.000 0.628 527 F N 1.606 121.465 119.950 -0.151 0.000 2.098 527 F HA -0.143 4.383 4.527 -0.001 0.000 0.294 527 F C 1.930 177.538 175.800 -0.320 0.000 1.107 527 F CA 0.953 58.832 58.000 -0.201 0.000 1.234 527 F CB -0.240 38.667 39.000 -0.155 0.000 1.002 527 F HN 0.052 nan 8.300 nan 0.000 0.472 528 L N 1.269 122.077 121.223 -0.691 0.000 2.012 528 L HA -0.071 4.268 4.340 -0.001 0.000 0.210 528 L C -0.852 175.753 176.870 -0.443 0.000 1.073 528 L CA 2.138 56.520 54.840 -0.763 0.000 0.748 528 L CB -1.948 39.557 42.059 -0.924 0.000 0.891 528 L HN 0.006 nan 8.230 nan 0.000 0.431 529 P HA -0.223 nan 4.420 nan 0.000 0.215 529 P C 1.487 178.670 177.300 -0.195 0.000 1.153 529 P CA 1.661 64.665 63.100 -0.161 0.000 0.853 529 P CB -0.083 31.556 31.700 -0.101 0.000 0.788 530 K N -0.206 120.050 120.400 -0.239 0.000 2.063 530 K HA -0.153 4.166 4.320 -0.001 0.000 0.208 530 K C 2.077 178.494 176.600 -0.306 0.000 1.048 530 K CA 1.088 57.239 56.287 -0.227 0.000 0.928 530 K CB -0.809 31.581 32.500 -0.183 0.000 0.713 530 K HN 0.038 nan 8.250 nan 0.000 0.442 531 L N 0.977 121.885 121.223 -0.525 0.000 2.012 531 L HA -0.191 4.149 4.340 -0.001 0.000 0.210 531 L C 2.095 178.806 176.870 -0.264 0.000 1.073 531 L CA 1.328 55.881 54.840 -0.478 0.000 0.748 531 L CB -0.175 41.458 42.059 -0.710 0.000 0.891 531 L HN 0.256 nan 8.230 nan 0.000 0.431 532 L N -0.253 120.832 121.223 -0.230 0.000 2.093 532 L HA -0.239 4.101 4.340 -0.001 0.000 0.208 532 L C 2.439 179.253 176.870 -0.093 0.000 1.085 532 L CA 1.511 56.271 54.840 -0.133 0.000 0.755 532 L CB -0.857 41.151 42.059 -0.085 0.000 0.904 532 L HN 0.475 nan 8.230 nan 0.000 0.435 533 N N 0.380 119.020 118.700 -0.098 0.000 2.188 533 N HA -0.158 4.581 4.740 -0.001 0.000 0.184 533 N C 1.760 177.232 175.510 -0.064 0.000 1.018 533 N CA 1.285 54.293 53.050 -0.070 0.000 0.858 533 N CB 0.199 38.645 38.487 -0.068 0.000 0.989 533 N HN 0.321 nan 8.380 nan 0.000 0.426 534 A N 0.133 122.903 122.820 -0.083 0.000 2.072 534 A HA 0.043 4.363 4.320 -0.001 0.000 0.216 534 A C 1.238 178.790 177.584 -0.053 0.000 1.156 534 A CA 0.954 52.952 52.037 -0.064 0.000 0.701 534 A CB -0.284 18.672 19.000 -0.073 0.000 0.816 534 A HN 0.499 nan 8.150 nan 0.000 0.458 535 T N 0.000 114.516 114.554 -0.063 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.071 62.100 -0.049 0.000 1.349 535 T CB 0.000 68.834 68.868 -0.057 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658