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 1acj_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 EPXXXXSKWP 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 0.000 174.655 174.600 0.092 0.000 1.055 4 S CA 0.000 58.243 58.200 0.072 0.000 1.107 4 S CB 0.000 63.236 63.200 0.060 0.000 0.593 5 E N -0.082 120.188 120.200 0.117 0.000 4.512 5 E HA -0.224 4.126 4.350 -0.001 0.000 0.162 5 E C 0.462 177.195 176.600 0.221 0.000 1.118 5 E CA 1.760 58.245 56.400 0.143 0.000 2.523 5 E CB -1.628 28.131 29.700 0.098 0.000 1.694 5 E HN 0.337 nan 8.360 nan 0.000 0.524 6 L N 0.295 121.622 121.223 0.173 0.000 2.616 6 L HA 0.401 4.741 4.340 -0.001 0.000 0.229 6 L C 0.226 177.286 176.870 0.318 0.000 1.110 6 L CA 0.289 55.231 54.840 0.169 0.000 0.884 6 L CB 0.564 42.631 42.059 0.013 0.000 1.115 6 L HN 0.362 nan 8.230 nan 0.000 0.481 7 L N 0.754 122.130 121.223 0.255 0.000 2.296 7 L HA 0.576 4.915 4.340 -0.001 0.000 0.286 7 L C -0.935 176.041 176.870 0.178 0.000 1.023 7 L CA -0.281 54.697 54.840 0.229 0.000 0.812 7 L CB 1.633 43.769 42.059 0.129 0.000 1.223 7 L HN -0.284 nan 8.230 nan 0.000 0.421 8 V N 5.037 125.036 119.914 0.141 0.000 2.789 8 V HA 0.492 4.612 4.120 -0.001 0.000 0.311 8 V C -0.235 175.787 176.094 -0.119 0.000 1.073 8 V CA -1.049 61.184 62.300 -0.110 0.000 0.921 8 V CB 2.537 34.075 31.823 -0.475 0.000 1.009 8 V HN 0.711 nan 8.190 nan 0.000 0.426 9 N N 2.401 120.949 118.700 -0.253 0.000 2.419 9 N HA 0.579 5.318 4.740 -0.001 0.000 0.277 9 N C -0.239 174.919 175.510 -0.587 0.000 1.006 9 N CA -0.160 52.700 53.050 -0.317 0.000 0.923 9 N CB 2.300 40.563 38.487 -0.374 0.000 1.140 9 N HN 0.913 nan 8.380 nan 0.000 0.488 10 T N -1.814 112.475 114.554 -0.442 0.000 2.940 10 T HA 0.359 4.709 4.350 -0.001 0.000 0.288 10 T C 0.982 175.359 174.700 -0.539 0.000 1.045 10 T CA -0.773 61.022 62.100 -0.508 0.000 1.018 10 T CB 1.819 70.678 68.868 -0.015 0.000 1.151 10 T HN 0.273 nan 8.240 nan 0.000 0.529 11 K N 0.449 120.561 120.400 -0.479 0.000 2.442 11 K HA -0.021 4.298 4.320 -0.001 0.000 0.198 11 K C 1.872 178.271 176.600 -0.335 0.000 1.044 11 K CA 1.086 57.158 56.287 -0.359 0.000 0.948 11 K CB -0.135 32.230 32.500 -0.225 0.000 0.762 11 K HN 0.495 nan 8.250 nan 0.000 0.472 12 S N -0.281 115.197 115.700 -0.370 0.000 2.492 12 S HA 0.167 4.637 4.470 -0.001 0.000 0.218 12 S C 0.702 174.605 174.600 -1.163 0.000 1.016 12 S CA 0.200 58.058 58.200 -0.571 0.000 0.916 12 S CB 0.957 63.918 63.200 -0.399 0.000 0.791 12 S HN 0.520 nan 8.310 nan 0.000 0.513 13 G N 0.719 108.975 108.800 -0.905 0.000 2.324 13 G HA2 0.302 4.261 3.960 -0.001 0.000 0.293 13 G HA3 0.302 4.261 3.960 -0.001 0.000 0.293 13 G C -1.956 172.856 174.900 -0.147 0.000 1.297 13 G CA -1.058 43.512 45.100 -0.883 0.000 0.853 13 G HN 0.049 nan 8.290 nan 0.000 0.535 14 K N -0.730 119.785 120.400 0.192 0.000 2.098 14 K HA 0.691 5.011 4.320 -0.001 0.000 0.261 14 K C -0.142 176.809 176.600 0.585 0.000 0.987 14 K CA -0.591 55.873 56.287 0.295 0.000 0.916 14 K CB 1.976 34.596 32.500 0.201 0.000 1.039 14 K HN 1.023 nan 8.250 nan 0.000 0.455 15 V N -0.888 119.306 119.914 0.466 0.000 2.808 15 V HA 0.522 4.641 4.120 -0.001 0.000 0.308 15 V C -0.885 175.513 176.094 0.507 0.000 1.099 15 V CA -1.033 61.603 62.300 0.560 0.000 0.920 15 V CB 1.937 34.147 31.823 0.644 0.000 1.014 15 V HN 0.609 nan 8.190 nan 0.000 0.425 16 M N 3.587 123.437 119.600 0.417 0.000 2.205 16 M HA 0.699 5.178 4.480 -0.001 0.000 0.344 16 M C 0.547 176.955 176.300 0.179 0.000 1.085 16 M CA 0.197 55.660 55.300 0.272 0.000 1.001 16 M CB 1.357 34.041 32.600 0.139 0.000 1.626 16 M HN 1.153 nan 8.290 nan 0.000 0.442 17 G N 2.591 111.336 108.800 -0.091 0.000 2.890 17 G HA2 0.791 4.751 3.960 -0.001 0.000 0.189 17 G HA3 0.791 4.751 3.960 -0.001 0.000 0.189 17 G C -0.940 173.754 174.900 -0.343 0.000 1.342 17 G CA -0.195 44.585 45.100 -0.533 0.000 1.026 17 G HN 0.569 nan 8.290 nan 0.000 0.579 18 T N -0.787 113.529 114.554 -0.397 0.000 2.883 18 T HA 0.508 4.858 4.350 -0.001 0.000 0.301 18 T C -0.731 173.853 174.700 -0.194 0.000 1.158 18 T CA -0.649 61.319 62.100 -0.221 0.000 1.007 18 T CB 2.283 71.048 68.868 -0.172 0.000 1.186 18 T HN 0.478 nan 8.240 nan 0.000 0.499 19 R N 1.867 122.303 120.500 -0.107 0.000 2.229 19 R HA 0.621 4.960 4.340 -0.001 0.000 0.328 19 R C -0.508 175.768 176.300 -0.039 0.000 1.009 19 R CA -0.513 55.552 56.100 -0.059 0.000 0.864 19 R CB 0.391 30.672 30.300 -0.031 0.000 1.085 19 R HN 0.572 nan 8.270 nan 0.000 0.453 20 V N 2.566 122.473 119.914 -0.012 0.000 2.581 20 V HA 0.651 4.771 4.120 -0.001 0.000 0.303 20 V C -2.591 173.491 176.094 -0.021 0.000 1.041 20 V CA -2.923 59.376 62.300 -0.002 0.000 0.907 20 V CB 1.560 33.414 31.823 0.052 0.000 0.994 20 V HN 0.679 nan 8.190 nan 0.000 0.442 21 P HA 0.401 nan 4.420 nan 0.000 0.271 21 P C -0.856 176.354 177.300 -0.150 0.000 1.216 21 P CA -0.079 62.975 63.100 -0.077 0.000 0.771 21 P CB 1.150 32.814 31.700 -0.060 0.000 0.864 22 V N 4.970 124.746 119.914 -0.230 0.000 2.488 22 V HA 0.195 4.314 4.120 -0.001 0.000 0.293 22 V C 0.623 176.441 176.094 -0.461 0.000 1.027 22 V CA -0.549 61.507 62.300 -0.406 0.000 0.862 22 V CB 0.634 32.140 31.823 -0.528 0.000 1.008 22 V HN 0.492 nan 8.190 nan 0.000 0.428 23 L N 3.439 124.503 121.223 -0.265 0.000 5.712 23 L HA -0.330 4.009 4.340 -0.001 0.000 0.053 23 L C 1.923 178.702 176.870 -0.152 0.000 2.787 23 L CA 2.299 57.024 54.840 -0.191 0.000 1.527 23 L CB -1.373 40.537 42.059 -0.249 0.000 2.908 23 L HN 0.904 nan 8.230 nan 0.000 0.994 24 S N -2.186 113.424 115.700 -0.150 0.000 2.556 24 S HA 0.451 4.920 4.470 -0.001 0.000 0.216 24 S C 0.452 175.022 174.600 -0.050 0.000 0.970 24 S CA 0.331 58.491 58.200 -0.066 0.000 0.912 24 S CB 0.381 63.573 63.200 -0.013 0.000 0.790 24 S HN 0.512 nan 8.310 nan 0.000 0.504 25 S N -0.048 115.585 115.700 -0.111 0.000 3.516 25 S HA 0.811 5.281 4.470 -0.001 0.000 0.288 25 S C -0.055 174.516 174.600 -0.048 0.000 1.051 25 S CA -0.150 58.037 58.200 -0.023 0.000 1.109 25 S CB 0.229 63.508 63.200 0.132 0.000 1.338 25 S HN 0.755 nan 8.310 nan 0.000 0.743 26 H N -1.002 118.086 119.070 0.029 0.000 2.960 26 H HA 0.954 5.509 4.556 -0.001 0.000 0.338 26 H C -1.191 174.201 175.328 0.107 0.000 1.261 26 H CA -0.653 55.412 56.048 0.030 0.000 1.136 26 H CB 0.782 30.563 29.762 0.033 0.000 1.875 26 H HN 0.626 nan 8.280 nan 0.000 0.550 27 I N -0.518 120.108 120.570 0.095 0.000 3.229 27 I HA 0.408 4.577 4.170 -0.001 0.000 0.313 27 I C -0.739 175.436 176.117 0.096 0.000 1.317 27 I CA -0.715 60.674 61.300 0.149 0.000 0.940 27 I CB 2.436 40.560 38.000 0.207 0.000 1.315 27 I HN 0.677 nan 8.210 nan 0.000 0.484 28 S N 1.474 117.240 115.700 0.110 0.000 2.549 28 S HA 0.848 5.318 4.470 -0.001 0.000 0.297 28 S C -0.665 173.895 174.600 -0.067 0.000 1.115 28 S CA -0.548 57.638 58.200 -0.023 0.000 1.059 28 S CB 1.863 65.089 63.200 0.043 0.000 1.046 28 S HN 0.631 nan 8.310 nan 0.000 0.506 29 A N 1.928 124.548 122.820 -0.333 0.000 2.455 29 A HA 0.800 5.119 4.320 -0.001 0.000 0.300 29 A C -1.614 175.607 177.584 -0.607 0.000 1.040 29 A CA -0.612 51.172 52.037 -0.422 0.000 0.697 29 A CB 0.668 19.474 19.000 -0.323 0.000 1.265 29 A HN 0.640 nan 8.150 nan 0.000 0.407 30 F N 2.969 122.718 119.950 -0.334 0.000 2.434 30 F HA 0.530 5.057 4.527 -0.001 0.000 0.355 30 F C -0.548 175.048 175.800 -0.339 0.000 1.115 30 F CA -0.696 57.187 58.000 -0.195 0.000 1.010 30 F CB 1.652 40.618 39.000 -0.057 0.000 1.234 30 F HN 0.241 nan 8.300 nan 0.000 0.439 31 L N 1.831 122.934 121.223 -0.199 0.000 2.331 31 L HA 0.704 5.043 4.340 -0.001 0.000 0.275 31 L C 0.934 177.750 176.870 -0.090 0.000 1.022 31 L CA -1.009 53.670 54.840 -0.268 0.000 0.812 31 L CB 1.039 42.803 42.059 -0.493 0.000 1.257 31 L HN 0.788 nan 8.230 nan 0.000 0.435 32 G N 2.601 111.376 108.800 -0.042 0.000 2.198 32 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.257 32 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.257 32 G C 0.161 175.118 174.900 0.094 0.000 1.042 32 G CA -0.086 45.009 45.100 -0.008 0.000 0.791 32 G HN 0.466 nan 8.290 nan 0.000 0.502 33 I N 2.244 122.793 120.570 -0.036 0.000 2.452 33 I HA 0.230 4.399 4.170 -0.001 0.000 0.287 33 I C -1.359 174.534 176.117 -0.374 0.000 1.079 33 I CA -2.070 59.036 61.300 -0.323 0.000 1.387 33 I CB 0.879 38.676 38.000 -0.338 0.000 1.404 33 I HN -0.038 nan 8.210 nan 0.000 0.522 34 P HA 0.034 nan 4.420 nan 0.000 0.271 34 P C -0.274 176.690 177.300 -0.560 0.000 1.218 34 P CA 0.060 62.691 63.100 -0.781 0.000 0.780 34 P CB 0.511 31.636 31.700 -0.958 0.000 0.901 35 F N -0.390 119.244 119.950 -0.527 0.000 2.798 35 F HA 0.766 5.292 4.527 -0.001 0.000 0.328 35 F C -0.136 175.573 175.800 -0.151 0.000 1.098 35 F CA -0.903 56.863 58.000 -0.389 0.000 1.172 35 F CB 0.008 38.758 39.000 -0.417 0.000 1.072 35 F HN 0.416 nan 8.300 nan 0.000 0.555 36 A N -0.099 122.545 122.820 -0.293 0.000 2.586 36 A HA 0.579 4.898 4.320 -0.001 0.000 0.290 36 A C -1.160 176.295 177.584 -0.215 0.000 1.086 36 A CA -0.812 51.147 52.037 -0.129 0.000 0.665 36 A CB 0.895 19.835 19.000 -0.101 0.000 1.279 36 A HN 0.059 nan 8.150 nan 0.000 0.423 37 E N 1.291 121.432 120.200 -0.098 0.000 2.316 37 E HA 0.310 4.660 4.350 -0.001 0.000 0.275 37 E C -2.352 174.168 176.600 -0.133 0.000 1.029 37 E CA -1.460 54.886 56.400 -0.089 0.000 0.871 37 E CB 0.288 29.977 29.700 -0.018 0.000 1.022 37 E HN 0.233 nan 8.360 nan 0.000 0.418 38 P HA -0.025 nan 4.420 nan 0.000 0.256 38 P C -2.254 174.991 177.300 -0.091 0.000 1.173 38 P CA -0.638 62.382 63.100 -0.133 0.000 0.768 38 P CB -0.194 31.466 31.700 -0.067 0.000 0.758 39 P HA 0.013 nan 4.420 nan 0.000 0.220 39 P C -0.048 177.201 177.300 -0.086 0.000 1.806 39 P CA 0.029 63.082 63.100 -0.078 0.000 0.976 39 P CB -0.072 31.582 31.700 -0.077 0.000 1.952 40 V N -2.043 117.832 119.914 -0.066 0.000 3.345 40 V HA 0.901 5.020 4.120 -0.001 0.000 0.308 40 V C 1.000 177.068 176.094 -0.042 0.000 1.168 40 V CA 0.158 62.420 62.300 -0.064 0.000 1.024 40 V CB 0.515 32.310 31.823 -0.046 0.000 1.211 40 V HN 0.557 nan 8.190 nan 0.000 0.461 41 G N 0.398 109.180 108.800 -0.030 0.000 2.596 41 G HA2 -0.373 3.586 3.960 -0.001 0.000 0.295 41 G HA3 -0.373 3.586 3.960 -0.001 0.000 0.295 41 G C 0.897 175.799 174.900 0.002 0.000 1.240 41 G CA 1.547 46.645 45.100 -0.003 0.000 0.985 41 G HN 2.179 nan 8.290 nan 0.000 0.555 42 N N -0.168 118.548 118.700 0.028 0.000 2.609 42 N HA 0.209 4.949 4.740 -0.001 0.000 0.190 42 N C 2.162 177.695 175.510 0.038 0.000 1.157 42 N CA 2.086 55.166 53.050 0.049 0.000 0.918 42 N CB -0.395 38.128 38.487 0.059 0.000 0.978 42 N HN 0.633 nan 8.380 nan 0.000 0.448 43 M N -0.504 119.099 119.600 0.005 0.000 2.495 43 M HA 0.115 4.594 4.480 -0.001 0.000 0.237 43 M C 1.004 177.279 176.300 -0.042 0.000 1.131 43 M CA -0.155 55.145 55.300 -0.001 0.000 1.032 43 M CB 0.078 32.673 32.600 -0.009 0.000 1.513 43 M HN 0.292 nan 8.290 nan 0.000 0.488 44 R N 0.746 121.175 120.500 -0.118 0.000 2.585 44 R HA -0.054 4.285 4.340 -0.001 0.000 0.275 44 R C -0.243 175.867 176.300 -0.316 0.000 1.018 44 R CA 0.778 56.668 56.100 -0.350 0.000 1.072 44 R CB 0.234 30.192 30.300 -0.571 0.000 0.953 44 R HN 0.231 nan 8.270 nan 0.000 0.419 45 F N -0.797 119.193 119.950 0.067 0.000 2.590 45 F HA -0.307 4.219 4.527 -0.001 0.000 0.471 45 F C 0.510 176.324 175.800 0.024 0.000 0.551 45 F CA 0.996 59.013 58.000 0.029 0.000 1.228 45 F CB -1.339 37.668 39.000 0.011 0.000 1.862 45 F HN 0.611 nan 8.300 nan 0.000 0.271 46 R N 1.539 122.123 120.500 0.140 0.000 2.549 46 R HA 0.559 4.899 4.340 -0.001 0.000 0.267 46 R C 0.544 176.888 176.300 0.073 0.000 1.045 46 R CA -0.950 55.214 56.100 0.106 0.000 1.115 46 R CB 0.726 31.074 30.300 0.080 0.000 1.121 46 R HN 0.094 nan 8.270 nan 0.000 0.543 47 R N 1.805 122.348 120.500 0.072 0.000 2.679 47 R HA 0.131 4.471 4.340 -0.001 0.000 0.268 47 R C -2.096 174.240 176.300 0.060 0.000 1.044 47 R CA -1.349 54.792 56.100 0.067 0.000 1.105 47 R CB -0.420 29.925 30.300 0.076 0.000 0.989 47 R HN 0.384 nan 8.270 nan 0.000 0.447 48 P HA 0.097 nan 4.420 nan 0.000 0.275 48 P C -0.777 176.562 177.300 0.066 0.000 1.227 48 P CA -0.089 63.047 63.100 0.060 0.000 0.781 48 P CB 0.780 32.538 31.700 0.097 0.000 0.906 49 E N 3.126 123.353 120.200 0.045 0.000 2.242 49 E HA 0.327 4.677 4.350 -0.001 0.000 0.275 49 E C -2.154 174.490 176.600 0.073 0.000 1.002 49 E CA -2.151 54.282 56.400 0.055 0.000 0.841 49 E CB 0.395 30.119 29.700 0.041 0.000 1.109 49 E HN 0.377 nan 8.360 nan 0.000 0.394 50 P HA -0.018 nan 4.420 nan 0.000 0.271 50 P C -0.612 176.755 177.300 0.113 0.000 1.218 50 P CA -0.048 63.131 63.100 0.131 0.000 0.780 50 P CB 0.529 32.306 31.700 0.128 0.000 0.901 51 K N 3.038 123.523 120.400 0.143 0.000 2.322 51 K HA 0.089 4.409 4.320 -0.001 0.000 0.283 51 K C 0.064 176.760 176.600 0.160 0.000 1.042 51 K CA -0.220 56.144 56.287 0.128 0.000 0.958 51 K CB 0.368 32.945 32.500 0.128 0.000 0.984 51 K HN 0.362 nan 8.250 nan 0.000 0.473 52 K N 4.633 125.119 120.400 0.143 0.000 2.448 52 K HA 0.075 4.395 4.320 -0.001 0.000 0.278 52 K C -2.192 174.520 176.600 0.185 0.000 1.009 52 K CA -1.249 55.118 56.287 0.134 0.000 0.995 52 K CB 0.135 32.710 32.500 0.125 0.000 0.917 52 K HN 0.396 nan 8.250 nan 0.000 0.481 53 P HA -0.016 nan 4.420 nan 0.000 0.271 53 P C -1.216 176.137 177.300 0.089 0.000 1.233 53 P CA -0.171 62.867 63.100 -0.104 0.000 0.789 53 P CB 0.296 31.874 31.700 -0.204 0.000 0.951 54 W N -0.334 121.046 121.300 0.133 0.000 2.820 54 W HA 0.709 5.369 4.660 -0.001 0.000 0.350 54 W C -0.874 175.730 176.519 0.143 0.000 1.116 54 W CA -0.826 56.625 57.345 0.177 0.000 1.146 54 W CB 0.037 29.693 29.460 0.327 0.000 1.433 54 W HN 0.354 nan 8.180 nan 0.000 0.561 55 S N 0.977 116.884 115.700 0.344 0.000 2.722 55 S HA 0.898 5.368 4.470 -0.001 0.000 0.292 55 S C 0.415 175.218 174.600 0.337 0.000 1.135 55 S CA -0.150 58.178 58.200 0.214 0.000 1.003 55 S CB 0.930 64.213 63.200 0.138 0.000 1.067 55 S HN 2.108 nan 8.310 nan 0.000 0.546 56 G N -0.544 108.389 108.800 0.222 0.000 2.642 56 G HA2 -0.048 3.912 3.960 -0.001 0.000 0.231 56 G HA3 -0.048 3.912 3.960 -0.001 0.000 0.231 56 G C -0.622 174.468 174.900 0.318 0.000 1.338 56 G CA -0.410 44.821 45.100 0.218 0.000 0.883 56 G HN 1.906 nan 8.290 nan 0.000 0.570 57 V N -2.648 117.426 119.914 0.266 0.000 2.604 57 V HA 0.714 4.834 4.120 -0.001 0.000 0.305 57 V C 0.215 176.472 176.094 0.271 0.000 1.043 57 V CA -0.908 61.584 62.300 0.320 0.000 0.888 57 V CB 1.959 33.898 31.823 0.194 0.000 0.995 57 V HN 0.967 nan 8.190 nan 0.000 0.429 58 W N 4.241 125.647 121.300 0.177 0.000 2.316 58 W HA 0.316 4.976 4.660 -0.001 0.000 0.311 58 W C -0.017 176.501 176.519 -0.001 0.000 1.217 58 W CA -0.288 56.990 57.345 -0.111 0.000 1.199 58 W CB 1.285 30.522 29.460 -0.372 0.000 1.202 58 W HN 0.787 nan 8.180 nan 0.000 0.528 59 N N 3.986 122.494 118.700 -0.319 0.000 2.408 59 N HA 0.272 5.012 4.740 -0.001 0.000 0.257 59 N C -0.708 174.819 175.510 0.030 0.000 1.064 59 N CA 0.168 53.149 53.050 -0.114 0.000 0.952 59 N CB 1.185 39.539 38.487 -0.221 0.000 1.093 59 N HN 0.441 nan 8.380 nan 0.000 0.490 60 A N 3.069 125.984 122.820 0.158 0.000 3.213 60 A HA 0.274 4.593 4.320 -0.001 0.000 0.308 60 A C 0.443 178.011 177.584 -0.026 0.000 1.177 60 A CA -0.475 51.661 52.037 0.165 0.000 1.010 60 A CB -0.016 19.174 19.000 0.317 0.000 1.092 60 A HN 0.603 nan 8.150 nan 0.000 0.583 61 S N -0.164 115.489 115.700 -0.078 0.000 2.523 61 S HA 0.132 4.601 4.470 -0.001 0.000 0.217 61 S C 0.785 175.285 174.600 -0.168 0.000 0.996 61 S CA 0.637 58.756 58.200 -0.135 0.000 0.921 61 S CB 0.265 63.402 63.200 -0.105 0.000 0.829 61 S HN 0.818 nan 8.310 nan 0.000 0.495 62 T N -0.941 113.513 114.554 -0.167 0.000 2.883 62 T HA 0.660 5.010 4.350 -0.001 0.000 0.296 62 T C -0.814 173.768 174.700 -0.196 0.000 1.117 62 T CA -0.769 61.233 62.100 -0.163 0.000 1.006 62 T CB 0.790 69.610 68.868 -0.081 0.000 1.191 62 T HN 0.009 nan 8.240 nan 0.000 0.508 63 Y N 1.915 122.195 120.300 -0.033 0.000 2.357 63 Y HA 0.416 4.966 4.550 -0.001 0.000 0.340 63 Y C -1.559 174.280 175.900 -0.102 0.000 1.260 63 Y CA -1.375 56.707 58.100 -0.030 0.000 1.425 63 Y CB 0.347 38.815 38.460 0.014 0.000 1.326 63 Y HN 0.505 nan 8.280 nan 0.000 0.580 64 P HA 0.106 nan 4.420 nan 0.000 0.282 64 P C -0.856 176.405 177.300 -0.066 0.000 1.287 64 P CA -0.508 62.473 63.100 -0.198 0.000 0.792 64 P CB 0.745 32.216 31.700 -0.382 0.000 1.163 65 N N 0.438 119.067 118.700 -0.118 0.000 2.399 65 N HA 0.123 4.863 4.740 -0.001 0.000 0.250 65 N C 0.170 175.689 175.510 0.015 0.000 1.272 65 N CA 0.125 53.154 53.050 -0.035 0.000 0.928 65 N CB -0.182 38.291 38.487 -0.024 0.000 1.158 65 N HN 0.371 nan 8.380 nan 0.000 0.463 66 N N -0.414 118.286 118.700 -0.001 0.000 2.472 66 N HA 0.306 5.046 4.740 -0.001 0.000 0.289 66 N C -0.219 175.286 175.510 -0.009 0.000 1.156 66 N CA -0.396 52.655 53.050 0.001 0.000 0.940 66 N CB 0.765 39.227 38.487 -0.041 0.000 1.200 66 N HN 0.410 nan 8.380 nan 0.000 0.511 67 c N 0.534 119.132 118.600 -0.004 0.000 2.649 67 c HA 0.163 4.733 4.570 -0.001 0.000 0.377 67 c C 0.775 174.830 174.090 -0.058 0.000 1.321 67 c CA -0.720 55.587 56.329 -0.036 0.000 2.368 67 c CB 0.045 42.558 42.510 0.005 0.000 2.597 67 c HN 0.468 nan 8.230 nan 0.000 0.678 68 Q N 1.756 121.468 119.800 -0.147 0.000 2.364 68 Q HA 0.336 4.676 4.340 -0.001 0.000 0.267 68 Q C -0.146 175.917 176.000 0.105 0.000 0.999 68 Q CA 0.668 56.413 55.803 -0.097 0.000 0.886 68 Q CB 0.686 29.200 28.738 -0.374 0.000 1.243 68 Q HN 0.886 nan 8.270 nan 0.000 0.415 69 Q N 0.493 120.407 119.800 0.190 0.000 2.804 69 Q HA 0.288 4.627 4.340 -0.001 0.000 0.302 69 Q C -1.476 174.745 176.000 0.368 0.000 0.885 69 Q CA -0.989 55.011 55.803 0.328 0.000 0.759 69 Q CB 0.671 29.543 28.738 0.223 0.000 1.465 69 Q HN 0.501 nan 8.270 nan 0.000 0.432 70 Y N 1.422 121.958 120.300 0.393 0.000 2.393 70 Y HA 0.435 4.984 4.550 -0.001 0.000 0.338 70 Y C -0.819 175.234 175.900 0.256 0.000 1.029 70 Y CA -0.335 57.961 58.100 0.328 0.000 1.239 70 Y CB 0.936 39.678 38.460 0.469 0.000 1.170 70 Y HN 0.436 nan 8.280 nan 0.000 0.515 71 V N 6.166 125.815 119.914 -0.443 0.000 2.583 71 V HA 0.082 4.202 4.120 -0.001 0.000 0.287 71 V C -0.108 175.557 176.094 -0.715 0.000 1.051 71 V CA -0.662 61.413 62.300 -0.375 0.000 1.010 71 V CB 1.131 32.828 31.823 -0.210 0.000 0.988 71 V HN 0.735 nan 8.190 nan 0.000 0.478 72 D N 3.919 124.162 120.400 -0.262 0.000 2.313 72 D HA 0.232 4.872 4.640 -0.001 0.000 0.239 72 D C 0.508 176.816 176.300 0.015 0.000 1.142 72 D CA -0.442 53.509 54.000 -0.082 0.000 0.847 72 D CB 0.937 41.907 40.800 0.284 0.000 1.082 72 D HN 0.825 nan 8.370 nan 0.000 0.480 73 E N 3.021 123.211 120.200 -0.016 0.000 3.385 73 E HA 0.039 4.389 4.350 -0.001 0.000 0.206 73 E C 0.581 177.185 176.600 0.008 0.000 0.997 73 E CA -0.430 55.984 56.400 0.022 0.000 1.278 73 E CB 0.509 30.189 29.700 -0.034 0.000 1.165 73 E HN 0.280 nan 8.360 nan 0.000 0.452 74 Q N 0.210 120.034 119.800 0.041 0.000 2.311 74 Q HA 0.054 4.394 4.340 -0.001 0.000 0.203 74 Q C -0.499 175.131 176.000 -0.617 0.000 0.954 74 Q CA 0.811 56.434 55.803 -0.300 0.000 0.885 74 Q CB 0.184 28.663 28.738 -0.431 0.000 0.963 74 Q HN 0.393 nan 8.270 nan 0.000 0.471 75 F N 0.583 120.616 119.950 0.138 0.000 2.708 75 F HA 0.364 4.891 4.527 -0.001 0.000 0.344 75 F C -2.223 173.659 175.800 0.136 0.000 1.447 75 F CA -2.297 55.771 58.000 0.112 0.000 1.140 75 F CB 1.195 40.304 39.000 0.180 0.000 1.657 75 F HN -0.142 nan 8.300 nan 0.000 0.598 76 P HA 0.182 nan 4.420 nan 0.000 0.265 76 P C 1.053 178.433 177.300 0.133 0.000 1.193 76 P CA 1.276 64.448 63.100 0.121 0.000 0.765 76 P CB 0.937 32.666 31.700 0.048 0.000 0.823 77 G N 2.345 111.211 108.800 0.110 0.000 2.304 77 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.252 77 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.252 77 G C 0.089 175.068 174.900 0.131 0.000 1.014 77 G CA -0.276 44.875 45.100 0.085 0.000 0.619 77 G HN 0.549 nan 8.290 nan 0.000 0.525 78 F N 3.702 123.649 119.950 -0.005 0.000 2.541 78 F HA 0.473 5.000 4.527 -0.001 0.000 0.378 78 F C 1.764 177.500 175.800 -0.107 0.000 1.068 78 F CA -0.225 57.719 58.000 -0.092 0.000 1.199 78 F CB 0.883 39.808 39.000 -0.125 0.000 1.091 78 F HN 0.294 nan 8.300 nan 0.000 0.555 79 S N 3.600 119.023 115.700 -0.463 0.000 2.370 79 S HA -0.160 4.309 4.470 -0.001 0.000 0.226 79 S C 2.286 176.444 174.600 -0.736 0.000 1.033 79 S CA 1.005 58.894 58.200 -0.518 0.000 1.011 79 S CB -1.380 61.578 63.200 -0.403 0.000 0.852 79 S HN 0.822 nan 8.310 nan 0.000 0.457 80 G N 1.519 109.351 108.800 -1.614 0.000 2.485 80 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.221 80 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.221 80 G C 1.657 176.618 174.900 0.101 0.000 1.115 80 G CA 1.430 45.891 45.100 -1.065 0.000 0.751 80 G HN 0.808 nan 8.290 nan 0.000 0.567 81 S N -0.634 115.081 115.700 0.025 0.000 2.506 81 S HA 0.123 4.592 4.470 -0.001 0.000 0.230 81 S C 1.828 176.626 174.600 0.330 0.000 1.066 81 S CA 0.561 59.113 58.200 0.587 0.000 0.940 81 S CB -0.032 63.665 63.200 0.828 0.000 0.818 81 S HN 0.237 nan 8.310 nan 0.000 0.518 82 E N 2.598 122.851 120.200 0.088 0.000 2.118 82 E HA -0.179 4.171 4.350 -0.001 0.000 0.195 82 E C 2.138 178.660 176.600 -0.130 0.000 0.992 82 E CA 1.639 58.036 56.400 -0.004 0.000 0.804 82 E CB -0.647 29.019 29.700 -0.057 0.000 0.741 82 E HN 0.881 nan 8.360 nan 0.000 0.458 83 M N -2.032 117.397 119.600 -0.286 0.000 2.337 83 M HA -0.132 4.347 4.480 -0.001 0.000 0.261 83 M C 1.230 177.123 176.300 -0.678 0.000 1.067 83 M CA 1.602 56.574 55.300 -0.546 0.000 1.074 83 M CB -0.660 31.490 32.600 -0.751 0.000 1.395 83 M HN 0.003 nan 8.290 nan 0.000 0.431 84 W N 0.863 122.052 121.300 -0.184 0.000 3.239 84 W HA 0.335 4.995 4.660 -0.001 0.000 0.348 84 W C -0.010 176.401 176.519 -0.179 0.000 1.183 84 W CA -0.886 56.324 57.345 -0.225 0.000 1.819 84 W CB -0.193 29.152 29.460 -0.192 0.000 1.091 84 W HN 0.102 nan 8.180 nan 0.000 0.629 85 N N 1.622 120.328 118.700 0.010 0.000 2.492 85 N HA 0.258 4.998 4.740 -0.001 0.000 0.289 85 N C -2.514 172.947 175.510 -0.081 0.000 1.133 85 N CA -2.159 50.885 53.050 -0.010 0.000 0.961 85 N CB 0.323 38.806 38.487 -0.007 0.000 1.186 85 N HN -0.341 nan 8.380 nan 0.000 0.493 86 P HA 0.024 nan 4.420 nan 0.000 0.260 86 P C -0.133 177.106 177.300 -0.102 0.000 1.185 86 P CA 0.051 63.093 63.100 -0.096 0.000 0.763 86 P CB 0.131 31.790 31.700 -0.068 0.000 0.776 87 N N 3.121 121.741 118.700 -0.134 0.000 2.279 87 N HA 0.076 4.815 4.740 -0.001 0.000 0.226 87 N C 0.249 175.694 175.510 -0.108 0.000 1.126 87 N CA -0.119 52.852 53.050 -0.133 0.000 0.846 87 N CB 0.290 38.667 38.487 -0.183 0.000 1.050 87 N HN 0.207 nan 8.380 nan 0.000 0.502 88 R N -0.916 119.533 120.500 -0.084 0.000 2.781 88 R HA 0.223 4.562 4.340 -0.001 0.000 0.269 88 R C -1.221 175.051 176.300 -0.046 0.000 1.025 88 R CA -0.620 55.447 56.100 -0.056 0.000 0.914 88 R CB 1.138 31.411 30.300 -0.044 0.000 1.236 88 R HN 0.156 nan 8.270 nan 0.000 0.465 89 E N 1.777 121.956 120.200 -0.036 0.000 2.414 89 E HA 0.124 4.474 4.350 -0.001 0.000 0.263 89 E C 0.071 176.651 176.600 -0.034 0.000 1.000 89 E CA 0.077 56.457 56.400 -0.034 0.000 0.914 89 E CB 0.359 30.040 29.700 -0.031 0.000 0.948 89 E HN 0.314 nan 8.360 nan 0.000 0.444 90 M N 2.839 122.418 119.600 -0.035 0.000 2.247 90 M HA 0.428 4.908 4.480 -0.001 0.000 0.326 90 M C 0.362 176.633 176.300 -0.048 0.000 1.134 90 M CA -0.130 55.146 55.300 -0.040 0.000 1.136 90 M CB 1.583 34.161 32.600 -0.038 0.000 1.454 90 M HN 0.567 nan 8.290 nan 0.000 0.467 91 S N -0.507 115.154 115.700 -0.064 0.000 2.567 91 S HA 0.213 4.683 4.470 -0.001 0.000 0.270 91 S C 0.006 174.534 174.600 -0.120 0.000 1.152 91 S CA -0.650 57.506 58.200 -0.073 0.000 0.835 91 S CB 1.589 64.771 63.200 -0.029 0.000 1.115 91 S HN 0.816 nan 8.310 nan 0.000 0.459 92 E N 0.673 120.782 120.200 -0.153 0.000 2.152 92 E HA -0.063 4.286 4.350 -0.001 0.000 0.192 92 E C -0.194 176.337 176.600 -0.115 0.000 0.983 92 E CA 0.436 56.709 56.400 -0.211 0.000 0.818 92 E CB 0.077 29.639 29.700 -0.230 0.000 0.758 92 E HN 0.528 nan 8.360 nan 0.000 0.467 93 D N 0.726 121.095 120.400 -0.050 0.000 2.455 93 D HA -0.030 4.609 4.640 -0.001 0.000 0.234 93 D C 0.065 176.437 176.300 0.120 0.000 1.224 93 D CA -0.079 53.928 54.000 0.012 0.000 0.999 93 D CB -0.070 40.765 40.800 0.058 0.000 1.072 93 D HN 0.151 nan 8.370 nan 0.000 0.514 94 c N 2.523 121.159 118.600 0.060 0.000 3.722 94 c HA 0.384 4.954 4.570 -0.001 0.000 0.279 94 c C 0.585 174.745 174.090 0.116 0.000 1.819 94 c CA -0.730 55.709 56.329 0.184 0.000 1.744 94 c CB -1.300 41.259 42.510 0.081 0.000 3.247 94 c HN 0.403 nan 8.230 nan 0.000 0.549 95 L N 2.606 123.656 121.223 -0.288 0.000 2.385 95 L HA 0.462 4.802 4.340 -0.001 0.000 0.285 95 L C -0.736 175.410 176.870 -1.206 0.000 1.125 95 L CA 0.540 54.959 54.840 -0.701 0.000 0.890 95 L CB -0.379 41.140 42.059 -0.899 0.000 1.251 95 L HN 0.368 nan 8.230 nan 0.000 0.445 96 Y N 2.767 122.846 120.300 -0.368 0.000 2.677 96 Y HA 0.694 5.244 4.550 -0.001 0.000 0.334 96 Y C -0.326 175.700 175.900 0.210 0.000 1.154 96 Y CA -1.213 56.791 58.100 -0.159 0.000 1.070 96 Y CB 1.789 40.197 38.460 -0.087 0.000 1.294 96 Y HN 0.239 nan 8.280 nan 0.000 0.475 97 L N -0.452 120.947 121.223 0.294 0.000 2.409 97 L HA 0.774 5.113 4.340 -0.001 0.000 0.255 97 L C -1.468 175.438 176.870 0.060 0.000 1.027 97 L CA -1.174 53.786 54.840 0.200 0.000 0.834 97 L CB 1.896 44.002 42.059 0.078 0.000 1.426 97 L HN 0.506 nan 8.230 nan 0.000 0.411 98 N N 0.956 119.683 118.700 0.045 0.000 2.240 98 N HA 0.774 5.514 4.740 -0.001 0.000 0.302 98 N C -1.414 173.948 175.510 -0.248 0.000 1.106 98 N CA -0.275 52.676 53.050 -0.163 0.000 0.778 98 N CB 2.852 41.230 38.487 -0.182 0.000 1.431 98 N HN 0.666 nan 8.380 nan 0.000 0.479 99 I N 0.261 120.566 120.570 -0.442 0.000 2.534 99 I HA 0.368 4.537 4.170 -0.001 0.000 0.288 99 I C -0.909 174.994 176.117 -0.356 0.000 1.077 99 I CA -0.690 60.452 61.300 -0.263 0.000 1.051 99 I CB 2.316 40.134 38.000 -0.303 0.000 1.234 99 I HN 0.242 nan 8.210 nan 0.000 0.425 100 W N 5.763 127.167 121.300 0.173 0.000 2.429 100 W HA 0.631 5.290 4.660 -0.001 0.000 0.314 100 W C -0.887 175.744 176.519 0.186 0.000 1.062 100 W CA -0.644 56.801 57.345 0.166 0.000 1.211 100 W CB 2.158 31.696 29.460 0.130 0.000 1.305 100 W HN 0.093 nan 8.180 nan 0.000 0.476 101 V N 4.566 124.693 119.914 0.355 0.000 2.680 101 V HA 0.347 4.466 4.120 -0.001 0.000 0.309 101 V C -2.013 174.245 176.094 0.273 0.000 1.052 101 V CA -2.439 60.055 62.300 0.324 0.000 0.908 101 V CB 1.990 34.068 31.823 0.425 0.000 1.001 101 V HN 0.261 nan 8.190 nan 0.000 0.431 102 P HA 0.174 nan 4.420 nan 0.000 0.271 102 P C -0.655 176.740 177.300 0.159 0.000 1.244 102 P CA -0.045 63.154 63.100 0.166 0.000 0.793 102 P CB 0.524 32.285 31.700 0.101 0.000 0.984 103 S N 0.239 116.018 115.700 0.132 0.000 2.594 103 S HA 0.563 5.033 4.470 -0.001 0.000 0.296 103 S C -2.616 172.034 174.600 0.083 0.000 1.124 103 S CA -1.433 56.835 58.200 0.115 0.000 1.011 103 S CB 0.072 63.341 63.200 0.116 0.000 1.016 103 S HN 0.219 nan 8.310 nan 0.000 0.485 104 P HA 0.229 nan 4.420 nan 0.000 0.272 104 P C -0.480 176.873 177.300 0.087 0.000 1.223 104 P CA -0.583 62.561 63.100 0.074 0.000 0.784 104 P CB 0.378 32.111 31.700 0.055 0.000 0.923 105 R N 2.498 123.062 120.500 0.107 0.000 2.537 105 R HA 0.076 4.416 4.340 -0.001 0.000 0.281 105 R C -1.786 174.567 176.300 0.089 0.000 0.988 105 R CA -0.835 55.341 56.100 0.126 0.000 1.077 105 R CB -0.268 30.116 30.300 0.139 0.000 0.932 105 R HN 0.407 nan 8.270 nan 0.000 0.409 106 P HA 0.155 nan 4.420 nan 0.000 0.276 106 P C -0.183 177.144 177.300 0.044 0.000 1.261 106 P CA -0.138 62.996 63.100 0.056 0.000 0.800 106 P CB 0.786 32.519 31.700 0.054 0.000 1.066 107 K N -0.002 120.411 120.400 0.022 0.000 2.044 107 K HA 0.147 4.467 4.320 -0.001 0.000 0.204 107 K C 1.078 177.671 176.600 -0.012 0.000 1.045 107 K CA 1.183 57.472 56.287 0.004 0.000 0.951 107 K CB -0.539 31.959 32.500 -0.003 0.000 0.738 107 K HN 0.515 nan 8.250 nan 0.000 0.443 108 S N -0.619 115.075 115.700 -0.010 0.000 2.649 108 S HA 0.534 5.004 4.470 -0.001 0.000 0.274 108 S C -1.200 173.395 174.600 -0.007 0.000 1.176 108 S CA -0.298 57.889 58.200 -0.021 0.000 0.988 108 S CB 1.778 64.954 63.200 -0.040 0.000 1.071 108 S HN 0.592 nan 8.310 nan 0.000 0.478 109 T N 1.556 116.113 114.554 0.004 0.000 2.787 109 T HA 0.578 4.927 4.350 -0.001 0.000 0.297 109 T C -0.558 174.148 174.700 0.011 0.000 1.221 109 T CA -0.355 61.751 62.100 0.009 0.000 1.006 109 T CB 1.310 70.193 68.868 0.024 0.000 1.328 109 T HN 0.479 nan 8.240 nan 0.000 0.509 110 T N 1.749 116.306 114.554 0.005 0.000 2.903 110 T HA 0.465 4.814 4.350 -0.001 0.000 0.314 110 T C -0.265 174.453 174.700 0.030 0.000 1.078 110 T CA -0.345 61.757 62.100 0.003 0.000 1.114 110 T CB 0.442 69.298 68.868 -0.019 0.000 0.987 110 T HN 0.451 nan 8.240 nan 0.000 0.548 111 V N 3.222 123.159 119.914 0.039 0.000 2.680 111 V HA 0.533 4.652 4.120 -0.001 0.000 0.309 111 V C -0.243 175.894 176.094 0.072 0.000 1.052 111 V CA -0.871 61.473 62.300 0.075 0.000 0.908 111 V CB 1.882 33.760 31.823 0.090 0.000 1.001 111 V HN 0.821 nan 8.190 nan 0.000 0.431 112 M N 4.000 123.659 119.600 0.099 0.000 2.197 112 M HA 0.557 5.036 4.480 -0.001 0.000 0.301 112 M C -1.382 175.112 176.300 0.324 0.000 0.987 112 M CA -0.627 54.721 55.300 0.080 0.000 0.921 112 M CB 2.173 34.659 32.600 -0.190 0.000 1.569 112 M HN 0.363 nan 8.290 nan 0.000 0.431 113 V N 3.024 123.182 119.914 0.406 0.000 2.370 113 V HA 0.361 4.480 4.120 -0.001 0.000 0.283 113 V C -0.808 175.660 176.094 0.623 0.000 1.023 113 V CA -0.571 61.988 62.300 0.431 0.000 0.857 113 V CB 1.704 33.665 31.823 0.230 0.000 0.985 113 V HN 0.875 nan 8.190 nan 0.000 0.443 114 W N 7.018 128.535 121.300 0.362 0.000 2.335 114 W HA 0.609 5.268 4.660 -0.001 0.000 0.307 114 W C -1.312 175.186 176.519 -0.035 0.000 1.117 114 W CA -0.808 56.567 57.345 0.051 0.000 1.228 114 W CB 1.232 30.720 29.460 0.046 0.000 1.240 114 W HN 0.455 nan 8.180 nan 0.000 0.468 115 I N 9.281 129.351 120.570 -0.834 0.000 2.354 115 I HA 0.071 4.240 4.170 -0.001 0.000 0.286 115 I C -0.090 175.290 176.117 -1.228 0.000 1.007 115 I CA -1.107 59.727 61.300 -0.777 0.000 1.167 115 I CB 0.500 38.206 38.000 -0.491 0.000 1.320 115 I HN 0.297 nan 8.210 nan 0.000 0.458 116 Y N 4.682 124.515 120.300 -0.779 0.000 2.426 116 Y HA 0.673 5.223 4.550 -0.001 0.000 0.344 116 Y C 0.709 176.433 175.900 -0.293 0.000 1.256 116 Y CA -1.082 56.642 58.100 -0.627 0.000 1.451 116 Y CB -0.162 38.190 38.460 -0.181 0.000 1.342 116 Y HN 0.527 nan 8.280 nan 0.000 0.600 117 G N -1.044 107.798 108.800 0.068 0.000 2.568 117 G HA2 0.501 4.460 3.960 -0.001 0.000 0.293 117 G HA3 0.501 4.460 3.960 -0.001 0.000 0.293 117 G C 0.216 175.079 174.900 -0.062 0.000 1.347 117 G CA -0.914 44.156 45.100 -0.049 0.000 1.039 117 G HN 1.703 nan 8.290 nan 0.000 0.523 118 G N -2.767 105.856 108.800 -0.296 0.000 2.332 118 G HA2 0.413 4.372 3.960 -0.001 0.000 0.216 118 G HA3 0.413 4.372 3.960 -0.001 0.000 0.216 118 G C 0.998 175.379 174.900 -0.865 0.000 1.041 118 G CA 0.706 45.494 45.100 -0.520 0.000 0.836 118 G HN 2.274 nan 8.290 nan 0.000 0.530 119 G N -0.436 107.877 108.800 -0.811 0.000 2.269 119 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.277 119 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.277 119 G C 0.975 175.439 174.900 -0.727 0.000 1.008 119 G CA 0.915 45.227 45.100 -1.313 0.000 0.774 119 G HN 1.695 nan 8.290 nan 0.000 0.511 120 F N -3.756 115.990 119.950 -0.341 0.000 2.705 120 F HA -0.339 4.188 4.527 -0.001 0.000 0.413 120 F C 1.594 177.394 175.800 0.000 0.000 0.588 120 F CA 2.356 60.270 58.000 -0.143 0.000 1.187 120 F CB -1.957 36.845 39.000 -0.331 0.000 1.737 120 F HN 0.820 nan 8.300 nan 0.000 0.285 121 Y N -0.637 119.695 120.300 0.054 0.000 2.444 121 Y HA 0.658 5.207 4.550 -0.001 0.000 0.249 121 Y C 0.708 176.731 175.900 0.205 0.000 1.134 121 Y CA 0.266 58.473 58.100 0.178 0.000 1.261 121 Y CB -0.058 38.469 38.460 0.111 0.000 1.143 121 Y HN 0.084 nan 8.280 nan 0.000 0.523 122 S N -0.649 114.782 115.700 -0.448 0.000 2.671 122 S HA 0.933 5.402 4.470 -0.001 0.000 0.277 122 S C -0.272 174.138 174.600 -0.318 0.000 1.165 122 S CA -0.487 57.549 58.200 -0.273 0.000 0.822 122 S CB 1.659 64.662 63.200 -0.328 0.000 1.150 122 S HN 1.169 nan 8.310 nan 0.000 0.479 123 G N -0.287 108.283 108.800 -0.384 0.000 2.307 123 G HA2 0.451 4.411 3.960 -0.001 0.000 0.348 123 G HA3 0.451 4.411 3.960 -0.001 0.000 0.348 123 G C -1.198 173.073 174.900 -1.049 0.000 1.603 123 G CA -0.354 44.251 45.100 -0.824 0.000 0.961 123 G HN 1.155 nan 8.290 nan 0.000 0.686 124 S N -1.086 114.030 115.700 -0.974 0.000 2.550 124 S HA 0.726 5.196 4.470 -0.001 0.000 0.270 124 S C 0.889 175.479 174.600 -0.017 0.000 1.145 124 S CA 0.081 58.007 58.200 -0.456 0.000 0.852 124 S CB 1.842 64.920 63.200 -0.203 0.000 1.119 124 S HN 1.795 nan 8.310 nan 0.000 0.465 125 S N -0.384 115.493 115.700 0.296 0.000 2.503 125 S HA -0.024 4.446 4.470 -0.001 0.000 0.215 125 S C 1.460 176.303 174.600 0.405 0.000 1.003 125 S CA 0.684 59.227 58.200 0.572 0.000 0.910 125 S CB -0.520 63.036 63.200 0.594 0.000 0.790 125 S HN 0.826 nan 8.310 nan 0.000 0.514 126 T N 0.851 115.468 114.554 0.106 0.000 3.148 126 T HA 0.352 4.701 4.350 -0.001 0.000 0.253 126 T C 0.618 175.074 174.700 -0.406 0.000 1.134 126 T CA -0.363 61.541 62.100 -0.326 0.000 1.051 126 T CB -0.689 67.950 68.868 -0.381 0.000 0.959 126 T HN 0.315 nan 8.240 nan 0.000 0.525 127 L N 1.830 122.893 121.223 -0.268 0.000 2.467 127 L HA 0.192 4.531 4.340 -0.001 0.000 0.270 127 L C 1.189 177.778 176.870 -0.468 0.000 1.205 127 L CA -0.537 54.022 54.840 -0.470 0.000 0.828 127 L CB 0.322 41.906 42.059 -0.792 0.000 1.101 127 L HN 0.039 nan 8.230 nan 0.000 0.479 128 D N 0.686 120.811 120.400 -0.459 0.000 2.264 128 D HA -0.099 4.541 4.640 -0.001 0.000 0.208 128 D C 1.775 177.819 176.300 -0.427 0.000 0.966 128 D CA 0.906 54.694 54.000 -0.353 0.000 0.864 128 D CB 0.038 40.668 40.800 -0.284 0.000 0.933 128 D HN 0.474 nan 8.370 nan 0.000 0.499 129 V N -1.823 117.687 119.914 -0.673 0.000 3.630 129 V HA 0.005 4.125 4.120 -0.001 0.000 0.273 129 V C 0.415 176.006 176.094 -0.839 0.000 1.248 129 V CA 0.493 62.376 62.300 -0.695 0.000 1.170 129 V CB -1.001 30.340 31.823 -0.803 0.000 0.899 129 V HN 0.012 nan 8.190 nan 0.000 0.457 130 Y N 0.081 119.882 120.300 -0.831 0.000 2.682 130 Y HA 0.441 4.990 4.550 -0.001 0.000 0.251 130 Y C 0.841 176.404 175.900 -0.562 0.000 1.172 130 Y CA -1.810 55.569 58.100 -1.202 0.000 1.186 130 Y CB -0.513 37.599 38.460 -0.580 0.000 1.216 130 Y HN 0.296 nan 8.280 nan 0.000 0.540 131 N N 1.349 119.894 118.700 -0.257 0.000 2.401 131 N HA 0.047 4.786 4.740 -0.001 0.000 0.255 131 N C 1.208 176.447 175.510 -0.451 0.000 1.110 131 N CA 0.440 53.294 53.050 -0.326 0.000 0.949 131 N CB 1.371 39.781 38.487 -0.129 0.000 1.110 131 N HN 0.488 nan 8.380 nan 0.000 0.490 132 G N 3.413 111.473 108.800 -1.233 0.000 2.956 132 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.207 132 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.207 132 G C 1.454 175.898 174.900 -0.759 0.000 1.162 132 G CA 0.220 44.883 45.100 -0.728 0.000 0.796 132 G HN 0.779 nan 8.290 nan 0.000 0.527 133 K N -0.417 119.332 120.400 -1.085 0.000 2.103 133 K HA -0.193 4.127 4.320 -0.001 0.000 0.207 133 K C 1.688 178.045 176.600 -0.405 0.000 1.048 133 K CA 1.335 57.230 56.287 -0.652 0.000 0.930 133 K CB -0.524 31.575 32.500 -0.668 0.000 0.716 133 K HN 0.367 nan 8.250 nan 0.000 0.444 134 Y N 0.787 121.003 120.300 -0.140 0.000 2.220 134 Y HA -0.078 4.471 4.550 -0.001 0.000 0.291 134 Y C 2.325 178.222 175.900 -0.005 0.000 1.129 134 Y CA 0.470 58.539 58.100 -0.052 0.000 1.161 134 Y CB -0.451 37.950 38.460 -0.098 0.000 0.997 134 Y HN 0.001 nan 8.280 nan 0.000 0.522 135 L N 0.393 121.645 121.223 0.048 0.000 2.027 135 L HA -0.095 4.244 4.340 -0.001 0.000 0.206 135 L C 2.447 179.342 176.870 0.041 0.000 1.074 135 L CA 1.876 56.705 54.840 -0.018 0.000 0.745 135 L CB -1.235 40.707 42.059 -0.195 0.000 0.898 135 L HN 0.169 nan 8.230 nan 0.000 0.433 136 A N -1.508 121.352 122.820 0.068 0.000 1.917 136 A HA -0.320 3.999 4.320 -0.001 0.000 0.219 136 A C 2.303 179.967 177.584 0.135 0.000 1.182 136 A CA 2.180 54.299 52.037 0.137 0.000 0.633 136 A CB -1.138 18.009 19.000 0.244 0.000 0.819 136 A HN 0.627 nan 8.150 nan 0.000 0.448 137 Y N 0.804 121.121 120.300 0.027 0.000 2.130 137 Y HA -0.127 4.423 4.550 -0.001 0.000 0.287 137 Y C 2.722 178.641 175.900 0.032 0.000 1.124 137 Y CA 2.373 60.490 58.100 0.028 0.000 1.118 137 Y CB -0.673 37.785 38.460 -0.003 0.000 0.994 137 Y HN 0.282 nan 8.280 nan 0.000 0.497 138 T N 0.490 115.143 114.554 0.165 0.000 2.759 138 T HA -0.146 4.204 4.350 -0.001 0.000 0.269 138 T C 1.280 175.968 174.700 -0.019 0.000 1.042 138 T CA 1.778 63.913 62.100 0.058 0.000 1.140 138 T CB -0.117 68.844 68.868 0.154 0.000 0.864 138 T HN 0.368 nan 8.240 nan 0.000 0.455 139 E N 0.336 120.545 120.200 0.014 0.000 2.489 139 E HA 0.114 4.463 4.350 -0.001 0.000 0.204 139 E C -0.069 176.536 176.600 0.007 0.000 1.006 139 E CA 0.029 56.449 56.400 0.033 0.000 0.936 139 E CB 0.302 30.039 29.700 0.062 0.000 1.002 139 E HN 0.596 nan 8.360 nan 0.000 0.488 140 E N 0.373 120.563 120.200 -0.018 0.000 2.302 140 E HA -0.157 4.193 4.350 -0.001 0.000 0.186 140 E C -0.291 176.325 176.600 0.027 0.000 1.444 140 E CA 0.434 56.830 56.400 -0.008 0.000 0.671 140 E CB -1.756 27.923 29.700 -0.034 0.000 1.122 140 E HN 0.138 nan 8.360 nan 0.000 0.366 141 V N -3.036 116.910 119.914 0.053 0.000 3.102 141 V HA 0.748 4.867 4.120 -0.001 0.000 0.312 141 V C 0.140 176.301 176.094 0.113 0.000 1.135 141 V CA -1.086 61.251 62.300 0.062 0.000 1.022 141 V CB 2.431 34.274 31.823 0.033 0.000 1.056 141 V HN 0.012 nan 8.190 nan 0.000 0.436 142 V N 2.787 122.774 119.914 0.121 0.000 2.465 142 V HA 0.547 4.667 4.120 -0.001 0.000 0.279 142 V C -0.141 176.071 176.094 0.196 0.000 1.045 142 V CA -0.264 62.138 62.300 0.169 0.000 0.938 142 V CB 1.191 33.102 31.823 0.147 0.000 0.986 142 V HN 0.842 nan 8.190 nan 0.000 0.467 143 L N 6.371 127.769 121.223 0.293 0.000 2.386 143 L HA 0.856 5.196 4.340 -0.001 0.000 0.271 143 L C -0.561 176.579 176.870 0.451 0.000 0.993 143 L CA -0.476 54.587 54.840 0.372 0.000 0.819 143 L CB 1.988 44.294 42.059 0.410 0.000 1.294 143 L HN 0.616 nan 8.230 nan 0.000 0.414 144 V N 0.486 120.654 119.914 0.424 0.000 3.074 144 V HA 0.809 4.929 4.120 -0.001 0.000 0.314 144 V C -0.659 175.733 176.094 0.497 0.000 1.117 144 V CA -0.405 62.114 62.300 0.366 0.000 1.014 144 V CB 2.142 34.078 31.823 0.188 0.000 1.057 144 V HN 0.751 nan 8.190 nan 0.000 0.438 145 S N 2.910 118.880 115.700 0.450 0.000 2.557 145 S HA 0.748 5.217 4.470 -0.001 0.000 0.291 145 S C -0.483 174.315 174.600 0.330 0.000 1.116 145 S CA -0.666 57.834 58.200 0.501 0.000 0.992 145 S CB 1.333 64.935 63.200 0.669 0.000 1.028 145 S HN 0.789 nan 8.310 nan 0.000 0.484 146 L N 1.409 122.765 121.223 0.222 0.000 2.472 146 L HA 0.699 5.039 4.340 -0.001 0.000 0.256 146 L C 0.292 177.339 176.870 0.295 0.000 1.111 146 L CA -0.657 54.290 54.840 0.178 0.000 0.800 146 L CB 0.806 42.877 42.059 0.020 0.000 1.286 146 L HN 0.509 nan 8.230 nan 0.000 0.479 147 S N -1.079 114.873 115.700 0.421 0.000 2.549 147 S HA 0.745 5.214 4.470 -0.001 0.000 0.280 147 S C -1.604 173.278 174.600 0.469 0.000 1.109 147 S CA -0.542 57.924 58.200 0.443 0.000 0.905 147 S CB 1.981 65.429 63.200 0.413 0.000 1.081 147 S HN 0.520 nan 8.310 nan 0.000 0.477 148 Y N -0.852 119.614 120.300 0.276 0.000 2.558 148 Y HA 0.629 5.178 4.550 -0.001 0.000 0.333 148 Y C -0.892 175.176 175.900 0.280 0.000 1.125 148 Y CA -1.389 56.849 58.100 0.229 0.000 1.039 148 Y CB 0.681 39.228 38.460 0.145 0.000 1.331 148 Y HN 0.468 nan 8.280 nan 0.000 0.456 149 R N 2.213 122.898 120.500 0.309 0.000 2.489 149 R HA 0.513 4.853 4.340 -0.001 0.000 0.287 149 R C -0.199 176.358 176.300 0.427 0.000 1.053 149 R CA -0.264 55.984 56.100 0.247 0.000 1.036 149 R CB 0.938 31.342 30.300 0.173 0.000 0.966 149 R HN 0.686 nan 8.270 nan 0.000 0.432 150 V N 0.016 120.191 119.914 0.435 0.000 3.177 150 V HA 0.891 5.011 4.120 -0.001 0.000 0.319 150 V C 0.769 177.255 176.094 0.652 0.000 1.125 150 V CA -0.093 62.581 62.300 0.624 0.000 1.029 150 V CB 1.212 33.234 31.823 0.332 0.000 1.119 150 V HN 0.982 nan 8.190 nan 0.000 0.452 151 G N 0.614 109.815 108.800 0.668 0.000 2.601 151 G HA2 0.049 4.008 3.960 -0.001 0.000 0.252 151 G HA3 0.049 4.008 3.960 -0.001 0.000 0.252 151 G C 0.956 176.086 174.900 0.383 0.000 1.294 151 G CA 0.864 46.309 45.100 0.575 0.000 0.912 151 G HN 2.148 nan 8.290 nan 0.000 0.574 152 A N -1.230 121.540 122.820 -0.083 0.000 1.892 152 A HA 0.147 4.467 4.320 -0.001 0.000 0.218 152 A C 2.260 179.751 177.584 -0.154 0.000 1.188 152 A CA 2.792 54.418 52.037 -0.685 0.000 0.631 152 A CB -0.617 17.837 19.000 -0.909 0.000 0.822 152 A HN 1.111 nan 8.150 nan 0.000 0.447 153 F N 0.021 120.090 119.950 0.199 0.000 2.236 153 F HA -0.056 4.471 4.527 -0.001 0.000 0.302 153 F C 2.337 178.206 175.800 0.115 0.000 1.073 153 F CA 1.161 59.244 58.000 0.138 0.000 1.336 153 F CB -0.555 38.469 39.000 0.041 0.000 1.040 153 F HN 0.309 nan 8.300 nan 0.000 0.507 154 G N -2.852 106.131 108.800 0.304 0.000 2.944 154 G HA2 0.127 4.087 3.960 -0.001 0.000 0.223 154 G HA3 0.127 4.087 3.960 -0.001 0.000 0.223 154 G C 0.643 175.286 174.900 -0.428 0.000 1.071 154 G CA 0.015 45.095 45.100 -0.033 0.000 0.806 154 G HN 0.326 nan 8.290 nan 0.000 0.538 155 F N -0.115 119.938 119.950 0.173 0.000 2.880 155 F HA 0.440 4.967 4.527 -0.001 0.000 0.328 155 F C 0.235 176.099 175.800 0.106 0.000 1.146 155 F CA -0.865 57.212 58.000 0.129 0.000 1.135 155 F CB 0.675 39.758 39.000 0.140 0.000 1.151 155 F HN -0.076 nan 8.300 nan 0.000 0.523 156 L N 2.059 123.329 121.223 0.079 0.000 2.485 156 L HA 0.525 4.864 4.340 -0.001 0.000 0.275 156 L C 0.211 177.099 176.870 0.029 0.000 1.207 156 L CA 0.062 54.853 54.840 -0.082 0.000 0.855 156 L CB 0.666 42.446 42.059 -0.465 0.000 1.114 156 L HN 0.164 nan 8.230 nan 0.000 0.485 157 A N 6.524 129.387 122.820 0.072 0.000 2.855 157 A HA 0.466 4.786 4.320 -0.001 0.000 0.313 157 A C -0.785 176.846 177.584 0.078 0.000 1.173 157 A CA -0.449 51.637 52.037 0.081 0.000 0.753 157 A CB -0.089 18.979 19.000 0.112 0.000 1.200 157 A HN 0.652 nan 8.150 nan 0.000 0.442 158 L N 3.222 124.471 121.223 0.043 0.000 2.422 158 L HA 0.170 4.509 4.340 -0.001 0.000 0.256 158 L C 1.695 178.627 176.870 0.102 0.000 1.202 158 L CA -0.621 54.250 54.840 0.051 0.000 1.119 158 L CB -0.439 41.618 42.059 -0.004 0.000 1.383 158 L HN 0.937 nan 8.230 nan 0.000 0.411 159 H N 3.195 122.280 119.070 0.025 0.000 2.203 159 H HA -0.286 4.270 4.556 -0.001 0.000 0.252 159 H C 1.719 177.068 175.328 0.034 0.000 1.130 159 H CA 1.884 57.953 56.048 0.035 0.000 1.320 159 H CB -0.170 29.614 29.762 0.037 0.000 1.594 159 H HN 0.551 nan 8.280 nan 0.000 0.653 160 G N -0.022 108.651 108.800 -0.211 0.000 3.397 160 G HA2 0.269 4.228 3.960 -0.001 0.000 0.248 160 G HA3 0.269 4.228 3.960 -0.001 0.000 0.248 160 G C -0.394 174.445 174.900 -0.100 0.000 1.284 160 G CA 0.560 45.501 45.100 -0.265 0.000 1.570 160 G HN 0.510 nan 8.290 nan 0.000 0.587 161 S N -1.532 114.145 115.700 -0.039 0.000 2.536 161 S HA 0.384 4.854 4.470 -0.001 0.000 0.287 161 S C 0.936 175.553 174.600 0.027 0.000 1.101 161 S CA -0.494 57.707 58.200 0.001 0.000 0.950 161 S CB 1.955 65.165 63.200 0.016 0.000 1.056 161 S HN 0.152 nan 8.310 nan 0.000 0.481 162 Q N 1.841 121.659 119.800 0.031 0.000 2.302 162 Q HA 0.076 4.415 4.340 -0.001 0.000 0.202 162 Q C 1.557 177.597 176.000 0.067 0.000 0.936 162 Q CA 0.828 56.659 55.803 0.047 0.000 0.886 162 Q CB -0.201 28.560 28.738 0.038 0.000 0.986 162 Q HN 0.770 nan 8.270 nan 0.000 0.487 163 E N 0.561 120.803 120.200 0.069 0.000 2.152 163 E HA 0.068 4.417 4.350 -0.001 0.000 0.192 163 E C 0.597 177.278 176.600 0.136 0.000 0.983 163 E CA 1.051 57.512 56.400 0.101 0.000 0.818 163 E CB 0.182 29.942 29.700 0.100 0.000 0.758 163 E HN 0.386 nan 8.360 nan 0.000 0.467 164 A N 1.962 124.837 122.820 0.092 0.000 3.300 164 A HA 0.355 4.675 4.320 -0.001 0.000 0.300 164 A C -2.664 174.961 177.584 0.069 0.000 1.099 164 A CA -1.190 50.896 52.037 0.082 0.000 0.846 164 A CB 0.672 19.638 19.000 -0.057 0.000 1.255 164 A HN -0.116 nan 8.150 nan 0.000 0.519 165 P HA 0.411 nan 4.420 nan 0.000 0.276 165 P C 0.795 178.159 177.300 0.107 0.000 1.252 165 P CA 0.242 63.415 63.100 0.122 0.000 0.802 165 P CB 1.108 32.881 31.700 0.121 0.000 1.035 166 G N 0.342 109.216 108.800 0.123 0.000 2.504 166 G HA2 0.062 4.022 3.960 -0.001 0.000 0.257 166 G HA3 0.062 4.022 3.960 -0.001 0.000 0.257 166 G C 0.201 175.118 174.900 0.028 0.000 1.451 166 G CA -0.560 44.591 45.100 0.085 0.000 1.059 166 G HN 0.617 nan 8.290 nan 0.000 0.550 167 N N -1.824 116.874 118.700 -0.004 0.000 2.650 167 N HA -0.186 4.554 4.740 -0.001 0.000 0.249 167 N C 1.571 176.923 175.510 -0.263 0.000 1.155 167 N CA 0.897 53.855 53.050 -0.155 0.000 0.747 167 N CB -1.168 37.176 38.487 -0.238 0.000 1.132 167 N HN 0.178 nan 8.380 nan 0.000 0.564 168 V N -0.104 119.668 119.914 -0.236 0.000 2.469 168 V HA -0.210 3.909 4.120 -0.001 0.000 0.251 168 V C 2.519 178.476 176.094 -0.228 0.000 1.064 168 V CA 2.449 64.656 62.300 -0.154 0.000 1.066 168 V CB -0.704 31.084 31.823 -0.058 0.000 0.667 168 V HN 0.581 nan 8.190 nan 0.000 0.461 169 G N -0.802 107.634 108.800 -0.607 0.000 2.443 169 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.219 169 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.219 169 G C 1.481 176.320 174.900 -0.103 0.000 1.131 169 G CA 0.563 45.447 45.100 -0.361 0.000 0.775 169 G HN 0.407 nan 8.290 nan 0.000 0.547 170 L N 0.357 121.456 121.223 -0.206 0.000 2.072 170 L HA 0.185 4.524 4.340 -0.001 0.000 0.205 170 L C 2.816 179.784 176.870 0.164 0.000 1.079 170 L CA 1.076 55.861 54.840 -0.091 0.000 0.752 170 L CB -0.480 41.272 42.059 -0.511 0.000 0.906 170 L HN 0.177 nan 8.230 nan 0.000 0.436 171 L N -0.959 120.348 121.223 0.139 0.000 2.083 171 L HA -0.210 4.129 4.340 -0.001 0.000 0.209 171 L C 2.081 179.059 176.870 0.180 0.000 1.083 171 L CA 0.963 55.940 54.840 0.228 0.000 0.752 171 L CB -0.813 41.348 42.059 0.171 0.000 0.899 171 L HN 0.254 nan 8.230 nan 0.000 0.433 172 D N -0.017 120.484 120.400 0.169 0.000 2.182 172 D HA -0.202 4.438 4.640 -0.001 0.000 0.201 172 D C 2.278 178.703 176.300 0.208 0.000 0.986 172 D CA 1.091 55.257 54.000 0.276 0.000 0.847 172 D CB -0.181 40.825 40.800 0.344 0.000 0.942 172 D HN 0.464 nan 8.370 nan 0.000 0.467 173 Q N 0.180 120.052 119.800 0.119 0.000 2.050 173 Q HA -0.111 4.229 4.340 -0.001 0.000 0.202 173 Q C 2.310 178.255 176.000 -0.092 0.000 0.980 173 Q CA 0.841 56.642 55.803 -0.003 0.000 0.840 173 Q CB -0.063 28.706 28.738 0.053 0.000 0.898 173 Q HN 0.223 nan 8.270 nan 0.000 0.424 174 R N 0.823 121.327 120.500 0.006 0.000 2.083 174 R HA -0.177 4.162 4.340 -0.001 0.000 0.237 174 R C 2.288 178.545 176.300 -0.072 0.000 1.137 174 R CA 1.706 57.758 56.100 -0.080 0.000 0.951 174 R CB -0.234 30.084 30.300 0.030 0.000 0.851 174 R HN 0.251 nan 8.270 nan 0.000 0.434 175 M N 0.088 119.688 119.600 -0.001 0.000 2.149 175 M HA -0.170 4.310 4.480 -0.001 0.000 0.261 175 M C 2.040 178.250 176.300 -0.151 0.000 1.064 175 M CA 2.179 57.496 55.300 0.029 0.000 1.102 175 M CB -0.060 32.661 32.600 0.202 0.000 1.369 175 M HN 0.314 nan 8.290 nan 0.000 0.408 176 A N -0.162 122.331 122.820 -0.546 0.000 1.930 176 A HA -0.084 4.235 4.320 -0.001 0.000 0.217 176 A C 1.848 179.281 177.584 -0.251 0.000 1.175 176 A CA 1.069 52.607 52.037 -0.831 0.000 0.627 176 A CB -0.732 17.510 19.000 -1.263 0.000 0.815 176 A HN 0.490 nan 8.150 nan 0.000 0.443 177 L N -0.394 120.723 121.223 -0.177 0.000 2.083 177 L HA -0.174 4.165 4.340 -0.001 0.000 0.209 177 L C 2.557 179.448 176.870 0.035 0.000 1.083 177 L CA 2.212 57.016 54.840 -0.061 0.000 0.752 177 L CB -1.212 40.773 42.059 -0.125 0.000 0.899 177 L HN 0.583 nan 8.230 nan 0.000 0.433 178 Q N -1.466 118.349 119.800 0.026 0.000 2.016 178 Q HA -0.266 4.073 4.340 -0.001 0.000 0.200 178 Q C 2.250 178.367 176.000 0.195 0.000 0.978 178 Q CA 2.056 57.910 55.803 0.086 0.000 0.833 178 Q CB -0.639 28.142 28.738 0.073 0.000 0.895 178 Q HN 0.465 nan 8.270 nan 0.000 0.427 179 W N -0.512 120.794 121.300 0.010 0.000 2.325 179 W HA -0.220 4.439 4.660 -0.001 0.000 0.299 179 W C 1.806 178.368 176.519 0.072 0.000 1.215 179 W CA 1.671 59.049 57.345 0.056 0.000 1.244 179 W CB -0.086 29.404 29.460 0.051 0.000 1.140 179 W HN 0.050 nan 8.180 nan 0.000 0.523 180 V N -0.362 119.806 119.914 0.424 0.000 2.343 180 V HA -0.377 3.743 4.120 -0.001 0.000 0.247 180 V C 2.462 178.654 176.094 0.162 0.000 1.051 180 V CA 2.329 64.819 62.300 0.316 0.000 1.036 180 V CB -1.317 30.641 31.823 0.225 0.000 0.654 180 V HN 0.356 nan 8.190 nan 0.000 0.451 181 H N 0.283 119.378 119.070 0.041 0.000 2.352 181 H HA -0.167 4.388 4.556 -0.001 0.000 0.299 181 H C 1.558 176.840 175.328 -0.077 0.000 1.097 181 H CA 1.848 57.887 56.048 -0.015 0.000 1.311 181 H CB 0.145 29.902 29.762 -0.008 0.000 1.377 181 H HN 0.408 nan 8.280 nan 0.000 0.504 182 D N -0.437 119.940 120.400 -0.037 0.000 2.340 182 D HA 0.021 4.661 4.640 -0.001 0.000 0.220 182 D C 0.626 176.770 176.300 -0.261 0.000 1.039 182 D CA 0.328 54.229 54.000 -0.166 0.000 0.866 182 D CB 0.107 40.835 40.800 -0.119 0.000 0.913 182 D HN 0.502 nan 8.370 nan 0.000 0.523 183 N N -0.423 118.094 118.700 -0.304 0.000 1.938 183 N HA 0.003 4.743 4.740 -0.001 0.000 0.225 183 N C 1.150 176.619 175.510 -0.069 0.000 1.400 183 N CA -0.084 52.811 53.050 -0.258 0.000 0.772 183 N CB 1.005 39.075 38.487 -0.694 0.000 1.124 183 N HN -0.037 nan 8.380 nan 0.000 0.513 184 I N 3.217 123.770 120.570 -0.027 0.000 2.567 184 I HA -0.248 3.922 4.170 -0.001 0.000 0.257 184 I C 2.536 178.667 176.117 0.022 0.000 1.184 184 I CA 1.530 62.919 61.300 0.148 0.000 1.451 184 I CB -0.092 37.973 38.000 0.108 0.000 1.089 184 I HN 0.182 nan 8.210 nan 0.000 0.441 185 Q N -0.578 119.029 119.800 -0.321 0.000 2.135 185 Q HA -0.251 4.088 4.340 -0.001 0.000 0.204 185 Q C 1.888 177.588 176.000 -0.500 0.000 0.981 185 Q CA 1.904 57.424 55.803 -0.471 0.000 0.856 185 Q CB -1.029 27.281 28.738 -0.712 0.000 0.902 185 Q HN 0.442 nan 8.270 nan 0.000 0.425 186 F N -0.334 119.517 119.950 -0.164 0.000 2.641 186 F HA 0.070 4.596 4.527 -0.001 0.000 0.298 186 F C 0.882 176.384 175.800 -0.496 0.000 1.146 186 F CA 0.388 58.170 58.000 -0.363 0.000 1.464 186 F CB -0.125 38.553 39.000 -0.538 0.000 1.101 186 F HN 0.003 nan 8.300 nan 0.000 0.585 187 F N -0.876 119.069 119.950 -0.008 0.000 2.678 187 F HA 0.442 4.968 4.527 -0.001 0.000 0.305 187 F C 1.730 177.542 175.800 0.020 0.000 1.090 187 F CA 0.295 58.292 58.000 -0.005 0.000 1.272 187 F CB 0.323 39.303 39.000 -0.034 0.000 1.060 187 F HN -0.007 nan 8.300 nan 0.000 0.576 188 G N 0.319 109.182 108.800 0.106 0.000 2.159 188 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.227 188 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.227 188 G C 0.484 175.417 174.900 0.054 0.000 0.986 188 G CA -0.344 44.797 45.100 0.068 0.000 0.651 188 G HN 0.694 nan 8.290 nan 0.000 0.523 189 G N -0.481 108.355 108.800 0.059 0.000 2.412 189 G HA2 0.512 4.471 3.960 -0.001 0.000 0.318 189 G HA3 0.512 4.471 3.960 -0.001 0.000 0.318 189 G C -0.930 173.955 174.900 -0.025 0.000 1.146 189 G CA 0.154 45.277 45.100 0.037 0.000 0.882 189 G HN 0.209 nan 8.290 nan 0.000 0.501 190 D N 1.743 122.129 120.400 -0.022 0.000 2.380 190 D HA 0.268 4.907 4.640 -0.001 0.000 0.230 190 D C -1.194 175.078 176.300 -0.047 0.000 1.154 190 D CA -2.400 51.569 54.000 -0.052 0.000 0.859 190 D CB 1.893 42.671 40.800 -0.038 0.000 1.045 190 D HN 0.023 nan 8.370 nan 0.000 0.495 191 P HA -0.116 nan 4.420 nan 0.000 0.226 191 P C 0.508 177.804 177.300 -0.007 0.000 1.146 191 P CA 0.706 63.758 63.100 -0.079 0.000 0.773 191 P CB 0.318 31.852 31.700 -0.276 0.000 0.772 192 K N -0.731 119.651 120.400 -0.031 0.000 2.417 192 K HA 0.168 4.487 4.320 -0.001 0.000 0.196 192 K C 0.319 176.914 176.600 -0.007 0.000 1.023 192 K CA 0.404 56.685 56.287 -0.009 0.000 1.122 192 K CB -0.247 32.234 32.500 -0.033 0.000 0.850 192 K HN 0.107 nan 8.250 nan 0.000 0.521 193 T N 0.583 115.138 114.554 0.002 0.000 3.866 193 T HA 0.132 4.481 4.350 -0.001 0.000 0.241 193 T C -0.219 174.497 174.700 0.026 0.000 1.017 193 T CA -0.590 61.507 62.100 -0.004 0.000 1.300 193 T CB 0.304 69.154 68.868 -0.030 0.000 0.968 193 T HN -0.007 nan 8.240 nan 0.000 0.595 194 V N -0.728 119.231 119.914 0.075 0.000 2.472 194 V HA 0.845 4.964 4.120 -0.001 0.000 0.290 194 V C -0.371 175.819 176.094 0.159 0.000 1.037 194 V CA -0.297 62.073 62.300 0.115 0.000 0.908 194 V CB 1.580 33.493 31.823 0.151 0.000 0.985 194 V HN 0.284 nan 8.190 nan 0.000 0.454 195 T N 7.268 121.906 114.554 0.141 0.000 2.779 195 T HA 0.628 4.978 4.350 -0.001 0.000 0.280 195 T C -0.034 174.788 174.700 0.203 0.000 0.987 195 T CA -0.222 61.985 62.100 0.178 0.000 0.966 195 T CB 1.042 69.969 68.868 0.098 0.000 0.933 195 T HN 0.910 nan 8.240 nan 0.000 0.442 196 I N 1.723 122.407 120.570 0.190 0.000 2.353 196 I HA 0.773 4.942 4.170 -0.001 0.000 0.293 196 I C -0.681 175.612 176.117 0.293 0.000 0.992 196 I CA -0.936 60.460 61.300 0.160 0.000 1.268 196 I CB 0.564 38.487 38.000 -0.128 0.000 1.387 196 I HN 0.412 nan 8.210 nan 0.000 0.478 197 F N 3.402 123.427 119.950 0.125 0.000 2.577 197 F HA 1.035 5.561 4.527 -0.001 0.000 0.318 197 F C -0.209 175.595 175.800 0.007 0.000 1.065 197 F CA -2.037 56.082 58.000 0.198 0.000 0.929 197 F CB 1.315 40.572 39.000 0.427 0.000 1.237 197 F HN 0.801 nan 8.300 nan 0.000 0.468 198 G N 0.944 109.667 108.800 -0.128 0.000 2.601 198 G HA2 0.473 4.432 3.960 -0.001 0.000 0.291 198 G HA3 0.473 4.432 3.960 -0.001 0.000 0.291 198 G C -2.527 172.177 174.900 -0.328 0.000 1.456 198 G CA -0.797 43.869 45.100 -0.723 0.000 0.804 198 G HN 0.886 nan 8.290 nan 0.000 0.499 199 E N 0.315 120.285 120.200 -0.382 0.000 2.288 199 E HA 0.662 5.011 4.350 -0.001 0.000 0.268 199 E C 0.653 177.193 176.600 -0.101 0.000 0.885 199 E CA 0.369 56.730 56.400 -0.065 0.000 0.767 199 E CB 2.255 32.035 29.700 0.134 0.000 1.220 199 E HN 1.144 nan 8.360 nan 0.000 0.427 200 S N 2.730 118.425 115.700 -0.008 0.000 4.116 200 S HA -0.386 4.084 4.470 -0.001 0.000 0.623 200 S C 1.437 176.122 174.600 0.141 0.000 1.933 200 S CA 2.205 60.475 58.200 0.116 0.000 4.224 200 S CB -1.689 61.505 63.200 -0.010 0.000 0.208 200 S HN 1.033 nan 8.310 nan 0.000 0.527 201 A N 1.196 123.975 122.820 -0.068 0.000 2.019 201 A HA 0.241 4.561 4.320 -0.001 0.000 0.219 201 A C 2.503 179.854 177.584 -0.388 0.000 1.164 201 A CA 2.253 54.055 52.037 -0.391 0.000 0.644 201 A CB -1.568 16.769 19.000 -1.104 0.000 0.805 201 A HN 1.622 nan 8.150 nan 0.000 0.449 202 G N -0.368 108.251 108.800 -0.301 0.000 2.404 202 G HA2 0.054 4.013 3.960 -0.001 0.000 0.215 202 G HA3 0.054 4.013 3.960 -0.001 0.000 0.215 202 G C 1.523 176.245 174.900 -0.296 0.000 1.174 202 G CA 1.091 45.966 45.100 -0.375 0.000 0.780 202 G HN 0.653 nan 8.290 nan 0.000 0.537 203 G N 0.936 109.613 108.800 -0.205 0.000 2.432 203 G HA2 0.079 4.038 3.960 -0.001 0.000 0.219 203 G HA3 0.079 4.038 3.960 -0.001 0.000 0.219 203 G C 1.958 176.745 174.900 -0.189 0.000 1.135 203 G CA 1.463 46.475 45.100 -0.146 0.000 0.767 203 G HN 0.639 nan 8.290 nan 0.000 0.550 204 A N 0.562 123.283 122.820 -0.166 0.000 1.929 204 A HA 0.130 4.449 4.320 -0.001 0.000 0.216 204 A C 2.670 180.151 177.584 -0.172 0.000 1.176 204 A CA 1.952 53.859 52.037 -0.217 0.000 0.628 204 A CB -0.426 18.447 19.000 -0.211 0.000 0.816 204 A HN 0.278 nan 8.150 nan 0.000 0.444 205 S N -0.301 115.306 115.700 -0.155 0.000 2.368 205 S HA -0.136 4.334 4.470 -0.001 0.000 0.225 205 S C 1.927 176.344 174.600 -0.305 0.000 1.030 205 S CA 1.402 59.477 58.200 -0.209 0.000 0.999 205 S CB -0.467 62.573 63.200 -0.267 0.000 0.844 205 S HN 0.343 nan 8.310 nan 0.000 0.459 206 V N 1.664 121.444 119.914 -0.223 0.000 2.252 206 V HA -0.217 3.903 4.120 -0.001 0.000 0.249 206 V C 2.628 178.632 176.094 -0.149 0.000 1.056 206 V CA 2.123 64.317 62.300 -0.176 0.000 1.022 206 V CB -1.481 30.250 31.823 -0.152 0.000 0.641 206 V HN 0.605 nan 8.190 nan 0.000 0.445 207 G N -1.177 107.504 108.800 -0.198 0.000 2.448 207 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.219 207 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.219 207 G C 1.555 176.451 174.900 -0.006 0.000 1.127 207 G CA 0.942 45.936 45.100 -0.177 0.000 0.766 207 G HN 0.480 nan 8.290 nan 0.000 0.552 208 M N -0.554 119.027 119.600 -0.031 0.000 2.319 208 M HA 0.066 4.545 4.480 -0.001 0.000 0.265 208 M C 2.101 178.520 176.300 0.198 0.000 1.068 208 M CA 0.916 56.324 55.300 0.180 0.000 1.118 208 M CB -0.131 32.594 32.600 0.209 0.000 1.395 208 M HN 0.344 nan 8.290 nan 0.000 0.435 209 H N -0.181 118.986 119.070 0.161 0.000 2.403 209 H HA 0.065 4.620 4.556 -0.001 0.000 0.298 209 H C 2.014 177.538 175.328 0.327 0.000 1.059 209 H CA 0.934 57.067 56.048 0.143 0.000 1.363 209 H CB 0.220 29.909 29.762 -0.121 0.000 1.410 209 H HN 0.257 nan 8.280 nan 0.000 0.528 210 I N 0.687 121.526 120.570 0.449 0.000 2.567 210 I HA -0.241 3.928 4.170 -0.001 0.000 0.257 210 I C 1.480 177.873 176.117 0.459 0.000 1.184 210 I CA 1.159 62.792 61.300 0.555 0.000 1.451 210 I CB -0.041 38.212 38.000 0.422 0.000 1.089 210 I HN 0.297 nan 8.210 nan 0.000 0.441 211 L N -0.856 120.603 121.223 0.393 0.000 2.221 211 L HA 0.045 4.384 4.340 -0.001 0.000 0.202 211 L C 1.482 178.516 176.870 0.273 0.000 1.074 211 L CA 0.137 55.214 54.840 0.395 0.000 0.795 211 L CB -0.177 42.154 42.059 0.453 0.000 0.960 211 L HN -0.004 nan 8.230 nan 0.000 0.458 212 S N 0.593 116.391 115.700 0.163 0.000 2.498 212 S HA 0.083 4.553 4.470 -0.001 0.000 0.281 212 S C -1.444 173.109 174.600 -0.078 0.000 1.265 212 S CA -1.361 56.764 58.200 -0.123 0.000 1.071 212 S CB 0.772 63.629 63.200 -0.572 0.000 0.894 212 S HN -0.074 nan 8.310 nan 0.000 0.491 213 P HA -0.103 nan 4.420 nan 0.000 0.216 213 P C 1.561 178.799 177.300 -0.104 0.000 1.157 213 P CA 1.519 64.585 63.100 -0.057 0.000 0.880 213 P CB -0.287 31.383 31.700 -0.051 0.000 0.791 214 G N -1.192 107.493 108.800 -0.193 0.000 2.479 214 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.220 214 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.220 214 G C 1.426 176.228 174.900 -0.163 0.000 1.115 214 G CA 0.986 45.969 45.100 -0.196 0.000 0.757 214 G HN 0.281 nan 8.290 nan 0.000 0.560 215 S N -0.583 115.042 115.700 -0.126 0.000 2.505 215 S HA 0.122 4.592 4.470 -0.001 0.000 0.216 215 S C 2.088 176.761 174.600 0.121 0.000 1.018 215 S CA -0.415 57.781 58.200 -0.006 0.000 0.911 215 S CB 0.223 63.471 63.200 0.080 0.000 0.818 215 S HN 0.381 nan 8.310 nan 0.000 0.497 216 R N 1.869 122.410 120.500 0.068 0.000 2.185 216 R HA -0.126 4.213 4.340 -0.001 0.000 0.247 216 R C 0.599 176.710 176.300 -0.316 0.000 1.159 216 R CA 1.529 57.594 56.100 -0.057 0.000 0.988 216 R CB -0.413 29.870 30.300 -0.028 0.000 0.871 216 R HN 0.324 nan 8.270 nan 0.000 0.458 217 D N 0.105 120.381 120.400 -0.207 0.000 2.349 217 D HA 0.001 4.641 4.640 -0.001 0.000 0.215 217 D C 0.947 177.073 176.300 -0.289 0.000 1.016 217 D CA 0.610 54.462 54.000 -0.247 0.000 0.870 217 D CB 0.210 40.901 40.800 -0.182 0.000 0.917 217 D HN 0.162 nan 8.370 nan 0.000 0.524 218 L N -0.143 120.951 121.223 -0.214 0.000 2.629 218 L HA 0.215 4.554 4.340 -0.001 0.000 0.230 218 L C -0.082 176.845 176.870 0.094 0.000 1.151 218 L CA -0.070 54.671 54.840 -0.165 0.000 0.924 218 L CB -0.556 41.429 42.059 -0.124 0.000 1.137 218 L HN -0.085 nan 8.230 nan 0.000 0.457 219 F N -4.191 115.740 119.950 -0.032 0.000 2.686 219 F HA 0.598 5.124 4.527 -0.001 0.000 0.311 219 F C 0.547 176.371 175.800 0.039 0.000 1.128 219 F CA -1.336 56.677 58.000 0.022 0.000 0.946 219 F CB 1.323 40.340 39.000 0.028 0.000 1.336 219 F HN -0.324 nan 8.300 nan 0.000 0.457 220 R N 0.465 121.006 120.500 0.067 0.000 2.038 220 R HA 0.489 4.828 4.340 -0.001 0.000 0.214 220 R C 0.092 176.449 176.300 0.095 0.000 1.249 220 R CA 0.271 56.360 56.100 -0.019 0.000 1.025 220 R CB 0.361 30.661 30.300 -0.000 0.000 0.911 220 R HN 0.822 nan 8.270 nan 0.000 0.456 221 R N -0.767 119.868 120.500 0.224 0.000 2.893 221 R HA 0.720 5.059 4.340 -0.001 0.000 0.245 221 R C -1.331 175.238 176.300 0.448 0.000 1.192 221 R CA -0.661 55.615 56.100 0.293 0.000 1.077 221 R CB 1.922 32.277 30.300 0.092 0.000 1.253 221 R HN 0.286 nan 8.270 nan 0.000 0.505 222 A N 0.749 123.820 122.820 0.419 0.000 2.572 222 A HA 0.669 4.988 4.320 -0.001 0.000 0.295 222 A C -1.242 176.453 177.584 0.185 0.000 1.072 222 A CA -0.685 51.513 52.037 0.269 0.000 0.691 222 A CB 1.318 20.428 19.000 0.183 0.000 1.291 222 A HN 0.561 nan 8.150 nan 0.000 0.404 223 I N 1.232 121.879 120.570 0.129 0.000 2.498 223 I HA 0.438 4.607 4.170 -0.001 0.000 0.290 223 I C -1.485 174.697 176.117 0.109 0.000 1.032 223 I CA -0.673 60.650 61.300 0.038 0.000 1.073 223 I CB 1.919 39.953 38.000 0.057 0.000 1.251 223 I HN 0.431 nan 8.210 nan 0.000 0.426 224 L N 6.346 127.610 121.223 0.067 0.000 2.349 224 L HA 0.421 4.760 4.340 -0.001 0.000 0.278 224 L C -0.558 176.397 176.870 0.141 0.000 0.996 224 L CA -0.301 54.564 54.840 0.041 0.000 0.825 224 L CB 1.713 43.718 42.059 -0.090 0.000 1.243 224 L HN 0.480 nan 8.230 nan 0.000 0.412 225 Q N 2.050 121.964 119.800 0.189 0.000 2.348 225 Q HA 0.466 4.805 4.340 -0.001 0.000 0.265 225 Q C -0.109 175.978 176.000 0.144 0.000 0.998 225 Q CA -0.659 55.312 55.803 0.280 0.000 0.831 225 Q CB 1.603 30.595 28.738 0.423 0.000 1.251 225 Q HN 0.627 nan 8.270 nan 0.000 0.456 226 S N 0.792 116.561 115.700 0.116 0.000 3.559 226 S HA -0.172 4.297 4.470 -0.001 0.000 0.369 226 S C 0.109 174.821 174.600 0.186 0.000 0.987 226 S CA 0.647 58.928 58.200 0.135 0.000 1.187 226 S CB -1.166 62.111 63.200 0.128 0.000 0.914 226 S HN 0.969 nan 8.310 nan 0.000 0.480 227 G N -0.829 108.020 108.800 0.081 0.000 2.698 227 G HA2 0.694 4.653 3.960 -0.001 0.000 0.293 227 G HA3 0.694 4.653 3.960 -0.001 0.000 0.293 227 G C -1.262 173.525 174.900 -0.188 0.000 1.437 227 G CA 0.134 45.270 45.100 0.061 0.000 0.852 227 G HN 0.669 nan 8.290 nan 0.000 0.499 228 S N 0.020 115.507 115.700 -0.355 0.000 2.560 228 S HA 0.633 5.102 4.470 -0.001 0.000 0.283 228 S C -2.197 172.039 174.600 -0.606 0.000 1.141 228 S CA -0.672 57.180 58.200 -0.580 0.000 0.902 228 S CB 2.369 65.283 63.200 -0.477 0.000 1.104 228 S HN 0.327 nan 8.310 nan 0.000 0.454 229 P HA -0.041 nan 4.420 nan 0.000 0.221 229 P C 0.728 177.762 177.300 -0.443 0.000 1.150 229 P CA 0.943 63.777 63.100 -0.444 0.000 0.800 229 P CB -0.258 31.256 31.700 -0.310 0.000 0.787 230 N N -0.779 117.677 118.700 -0.407 0.000 2.383 230 N HA -0.028 4.711 4.740 -0.001 0.000 0.192 230 N C 0.008 175.248 175.510 -0.451 0.000 1.141 230 N CA -0.134 52.717 53.050 -0.331 0.000 0.851 230 N CB -1.329 37.081 38.487 -0.129 0.000 0.976 230 N HN 0.019 nan 8.380 nan 0.000 0.465 231 C N 2.385 121.293 119.300 -0.653 0.000 2.676 231 C HA 0.162 4.621 4.460 -0.001 0.000 0.416 231 C C -0.468 173.977 174.990 -0.907 0.000 1.299 231 C CA -0.968 57.529 59.018 -0.868 0.000 2.048 231 C CB 1.345 28.256 27.740 -1.381 0.000 2.713 231 C HN 0.328 nan 8.230 nan 0.000 0.624 232 P HA -0.080 nan 4.420 nan 0.000 0.222 232 P C 1.132 178.243 177.300 -0.314 0.000 1.147 232 P CA 1.555 64.383 63.100 -0.452 0.000 0.790 232 P CB -0.114 31.374 31.700 -0.352 0.000 0.780 233 W N -1.405 119.750 121.300 -0.243 0.000 3.290 233 W HA 0.587 5.247 4.660 -0.001 0.000 0.287 233 W C 0.777 177.321 176.519 0.042 0.000 1.288 233 W CA 0.262 57.531 57.345 -0.127 0.000 1.725 233 W CB -1.029 28.354 29.460 -0.129 0.000 1.103 233 W HN -0.099 nan 8.180 nan 0.000 0.670 234 A N 1.208 123.786 122.820 -0.404 0.000 2.308 234 A HA 0.274 4.593 4.320 -0.001 0.000 0.217 234 A C 0.838 178.256 177.584 -0.277 0.000 1.216 234 A CA 0.774 52.674 52.037 -0.230 0.000 0.864 234 A CB -0.429 18.259 19.000 -0.519 0.000 0.902 234 A HN 0.170 nan 8.150 nan 0.000 0.499 235 S N -1.445 114.087 115.700 -0.279 0.000 2.596 235 S HA 0.686 5.156 4.470 -0.001 0.000 0.270 235 S C -0.783 173.687 174.600 -0.218 0.000 1.155 235 S CA -0.080 57.943 58.200 -0.294 0.000 0.827 235 S CB 1.388 64.351 63.200 -0.395 0.000 1.130 235 S HN 1.308 nan 8.310 nan 0.000 0.467 236 V N -1.193 118.612 119.914 -0.182 0.000 3.130 236 V HA 0.944 5.063 4.120 -0.001 0.000 0.310 236 V C 0.028 176.049 176.094 -0.122 0.000 1.158 236 V CA -0.540 61.678 62.300 -0.136 0.000 1.029 236 V CB 1.236 32.998 31.823 -0.102 0.000 1.057 236 V HN 1.420 nan 8.190 nan 0.000 0.436 237 S N 0.771 116.410 115.700 -0.102 0.000 2.645 237 S HA 0.415 4.884 4.470 -0.001 0.000 0.266 237 S C 1.332 175.887 174.600 -0.075 0.000 1.258 237 S CA -0.032 58.114 58.200 -0.090 0.000 0.990 237 S CB 1.244 64.400 63.200 -0.073 0.000 0.967 237 S HN 2.083 nan 8.310 nan 0.000 0.556 238 V N -1.491 118.369 119.914 -0.092 0.000 2.490 238 V HA -0.033 4.086 4.120 -0.001 0.000 0.250 238 V C 2.514 178.606 176.094 -0.004 0.000 1.061 238 V CA 1.667 63.917 62.300 -0.083 0.000 1.064 238 V CB -2.070 29.633 31.823 -0.200 0.000 0.670 238 V HN 0.983 nan 8.190 nan 0.000 0.461 239 A N -0.032 122.784 122.820 -0.006 0.000 1.877 239 A HA -0.186 4.133 4.320 -0.001 0.000 0.216 239 A C 2.300 179.883 177.584 -0.001 0.000 1.186 239 A CA 1.833 53.874 52.037 0.008 0.000 0.620 239 A CB -0.651 18.349 19.000 0.000 0.000 0.822 239 A HN 0.536 nan 8.150 nan 0.000 0.443 240 E N -0.465 119.722 120.200 -0.022 0.000 2.077 240 E HA -0.151 4.198 4.350 -0.001 0.000 0.193 240 E C 2.208 178.798 176.600 -0.018 0.000 0.989 240 E CA 1.211 57.592 56.400 -0.031 0.000 0.800 240 E CB -0.582 29.085 29.700 -0.055 0.000 0.746 240 E HN 0.557 nan 8.360 nan 0.000 0.452 241 G N 0.976 109.774 108.800 -0.003 0.000 2.422 241 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.218 241 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.218 241 G C 1.725 176.663 174.900 0.063 0.000 1.146 241 G CA 0.880 46.005 45.100 0.041 0.000 0.769 241 G HN 0.208 nan 8.290 nan 0.000 0.547 242 R N 0.036 120.565 120.500 0.048 0.000 2.073 242 R HA 0.016 4.356 4.340 -0.001 0.000 0.234 242 R C 2.641 178.964 176.300 0.038 0.000 1.134 242 R CA 1.134 57.264 56.100 0.050 0.000 0.952 242 R CB -0.327 30.004 30.300 0.051 0.000 0.850 242 R HN 0.223 nan 8.270 nan 0.000 0.433 243 R N 0.445 120.957 120.500 0.021 0.000 2.094 243 R HA -0.180 4.159 4.340 -0.001 0.000 0.239 243 R C 2.280 178.587 176.300 0.011 0.000 1.137 243 R CA 2.223 58.328 56.100 0.009 0.000 0.943 243 R CB -0.179 30.115 30.300 -0.009 0.000 0.850 243 R HN 0.306 nan 8.270 nan 0.000 0.433 244 R N -0.463 120.037 120.500 0.000 0.000 2.115 244 R HA -0.052 4.287 4.340 -0.001 0.000 0.230 244 R C 2.268 178.647 176.300 0.131 0.000 1.111 244 R CA 1.088 57.180 56.100 -0.012 0.000 0.976 244 R CB -0.273 29.926 30.300 -0.169 0.000 0.870 244 R HN 0.243 nan 8.270 nan 0.000 0.445 245 A N 0.734 123.649 122.820 0.159 0.000 1.902 245 A HA -0.099 4.221 4.320 -0.001 0.000 0.217 245 A C 2.319 179.945 177.584 0.069 0.000 1.181 245 A CA 1.226 53.355 52.037 0.153 0.000 0.623 245 A CB -0.420 18.618 19.000 0.063 0.000 0.818 245 A HN 0.134 nan 8.150 nan 0.000 0.443 246 V N -0.348 119.594 119.914 0.048 0.000 2.488 246 V HA -0.148 3.972 4.120 -0.001 0.000 0.246 246 V C 2.551 178.666 176.094 0.036 0.000 1.046 246 V CA 2.247 64.563 62.300 0.028 0.000 1.053 246 V CB -0.289 31.546 31.823 0.021 0.000 0.679 246 V HN 0.671 nan 8.190 nan 0.000 0.458 247 E N 0.092 120.317 120.200 0.043 0.000 2.118 247 E HA -0.236 4.114 4.350 -0.001 0.000 0.195 247 E C 1.913 178.550 176.600 0.062 0.000 0.992 247 E CA 1.312 57.736 56.400 0.039 0.000 0.804 247 E CB -0.382 29.329 29.700 0.019 0.000 0.741 247 E HN 0.449 nan 8.360 nan 0.000 0.458 248 L N -0.380 120.907 121.223 0.106 0.000 2.056 248 L HA 0.023 4.363 4.340 -0.001 0.000 0.207 248 L C 2.183 179.093 176.870 0.068 0.000 1.078 248 L CA 2.199 57.120 54.840 0.134 0.000 0.749 248 L CB -0.995 41.201 42.059 0.228 0.000 0.901 248 L HN 0.250 nan 8.230 nan 0.000 0.433 249 G N -0.027 108.797 108.800 0.039 0.000 2.469 249 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.219 249 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.219 249 G C 1.643 176.557 174.900 0.024 0.000 1.150 249 G CA 0.959 46.069 45.100 0.016 0.000 0.763 249 G HN 0.571 nan 8.290 nan 0.000 0.561 250 R N 0.318 120.836 120.500 0.029 0.000 2.148 250 R HA 0.084 4.423 4.340 -0.001 0.000 0.223 250 R C 1.836 178.154 176.300 0.031 0.000 1.088 250 R CA 1.285 57.400 56.100 0.027 0.000 0.985 250 R CB -0.789 29.524 30.300 0.023 0.000 0.880 250 R HN 0.334 nan 8.270 nan 0.000 0.451 251 N N 0.557 119.280 118.700 0.040 0.000 2.381 251 N HA -0.050 4.690 4.740 -0.001 0.000 0.182 251 N C 0.682 176.217 175.510 0.041 0.000 1.025 251 N CA 0.677 53.753 53.050 0.043 0.000 0.888 251 N CB 0.154 38.676 38.487 0.058 0.000 0.965 251 N HN 0.208 nan 8.380 nan 0.000 0.438 252 L N 0.857 122.103 121.223 0.039 0.000 2.667 252 L HA 0.005 4.344 4.340 -0.001 0.000 0.232 252 L C 0.782 177.668 176.870 0.026 0.000 1.138 252 L CA 0.358 55.218 54.840 0.034 0.000 0.921 252 L CB -1.538 40.541 42.059 0.034 0.000 1.180 252 L HN 0.261 nan 8.230 nan 0.000 0.487 253 N N -2.636 116.079 118.700 0.025 0.000 2.740 253 N HA -0.229 4.510 4.740 -0.001 0.000 0.248 253 N C 0.173 175.696 175.510 0.021 0.000 1.062 253 N CA 0.656 53.720 53.050 0.023 0.000 0.704 253 N CB -3.117 35.384 38.487 0.022 0.000 0.968 253 N HN 0.349 nan 8.380 nan 0.000 0.547 254 c N 0.882 119.493 118.600 0.018 0.000 2.595 254 c HA 0.468 5.038 4.570 -0.001 0.000 0.384 254 c C 1.187 175.290 174.090 0.023 0.000 1.289 254 c CA -0.346 55.993 56.329 0.016 0.000 2.372 254 c CB 0.616 43.130 42.510 0.008 0.000 2.593 254 c HN 0.828 nan 8.230 nan 0.000 0.639 255 N N 1.442 120.161 118.700 0.031 0.000 2.452 255 N HA 0.095 4.835 4.740 -0.001 0.000 0.266 255 N C -0.403 175.125 175.510 0.029 0.000 1.175 255 N CA 0.038 53.108 53.050 0.034 0.000 0.945 255 N CB 0.469 38.985 38.487 0.048 0.000 1.063 255 N HN 0.501 nan 8.380 nan 0.000 0.472 256 L N 2.989 124.226 121.223 0.024 0.000 2.848 256 L HA 0.229 4.569 4.340 -0.001 0.000 0.240 256 L C 2.089 178.971 176.870 0.020 0.000 1.232 256 L CA 0.024 54.876 54.840 0.020 0.000 1.031 256 L CB -0.814 41.255 42.059 0.017 0.000 1.338 256 L HN 0.687 nan 8.230 nan 0.000 0.509 257 N N -0.443 118.271 118.700 0.023 0.000 2.457 257 N HA 0.101 4.840 4.740 -0.001 0.000 0.180 257 N C 0.757 176.279 175.510 0.020 0.000 1.050 257 N CA 0.930 53.993 53.050 0.021 0.000 0.906 257 N CB 0.103 38.603 38.487 0.022 0.000 0.968 257 N HN 0.451 nan 8.380 nan 0.000 0.445 258 S N -2.553 113.161 115.700 0.022 0.000 2.567 258 S HA 0.365 4.835 4.470 -0.001 0.000 0.270 258 S C -0.992 173.621 174.600 0.021 0.000 1.152 258 S CA -0.467 57.745 58.200 0.021 0.000 0.835 258 S CB 1.025 64.239 63.200 0.022 0.000 1.115 258 S HN 0.031 nan 8.310 nan 0.000 0.459 259 D N 1.238 121.648 120.400 0.017 0.000 2.178 259 D HA 0.051 4.690 4.640 -0.001 0.000 0.201 259 D C 2.206 178.522 176.300 0.027 0.000 0.980 259 D CA 1.873 55.881 54.000 0.013 0.000 0.842 259 D CB -0.589 40.216 40.800 0.007 0.000 0.948 259 D HN 0.842 nan 8.370 nan 0.000 0.472 260 E N 1.229 121.452 120.200 0.037 0.000 2.077 260 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 260 E C 2.092 178.747 176.600 0.092 0.000 0.989 260 E CA 1.449 57.883 56.400 0.057 0.000 0.800 260 E CB -0.982 28.742 29.700 0.041 0.000 0.746 260 E HN 0.265 nan 8.360 nan 0.000 0.452 261 E N -0.470 119.776 120.200 0.077 0.000 2.047 261 E HA -0.045 4.304 4.350 -0.001 0.000 0.191 261 E C 2.226 178.882 176.600 0.095 0.000 0.987 261 E CA 0.899 57.362 56.400 0.106 0.000 0.799 261 E CB -0.574 29.170 29.700 0.074 0.000 0.752 261 E HN 0.552 nan 8.360 nan 0.000 0.449 262 L N 0.698 121.950 121.223 0.048 0.000 1.989 262 L HA -0.092 4.248 4.340 -0.001 0.000 0.211 262 L C 2.243 179.114 176.870 0.002 0.000 1.071 262 L CA 1.834 56.683 54.840 0.014 0.000 0.749 262 L CB -0.613 41.441 42.059 -0.008 0.000 0.890 262 L HN 0.238 nan 8.230 nan 0.000 0.431 263 I N -1.103 119.478 120.570 0.017 0.000 2.202 263 I HA -0.317 3.853 4.170 -0.001 0.000 0.242 263 I C 2.571 178.765 176.117 0.128 0.000 1.091 263 I CA 1.495 62.814 61.300 0.032 0.000 1.368 263 I CB -0.536 37.492 38.000 0.047 0.000 1.058 263 I HN 0.486 nan 8.210 nan 0.000 0.410 264 H N 0.382 119.495 119.070 0.071 0.000 2.352 264 H HA -0.261 4.295 4.556 -0.001 0.000 0.299 264 H C 2.370 177.751 175.328 0.089 0.000 1.097 264 H CA 2.165 58.263 56.048 0.083 0.000 1.311 264 H CB -0.641 29.155 29.762 0.058 0.000 1.377 264 H HN 0.448 nan 8.280 nan 0.000 0.504 265 c N 0.128 118.629 118.600 -0.166 0.000 2.413 265 c HA -0.134 4.435 4.570 -0.001 0.000 0.277 265 c C 2.847 176.874 174.090 -0.105 0.000 1.228 265 c CA 1.339 57.542 56.329 -0.209 0.000 1.731 265 c CB -1.484 40.994 42.510 -0.054 0.000 2.042 265 c HN 0.689 nan 8.230 nan 0.000 0.468 266 L N 0.367 121.589 121.223 -0.002 0.000 2.265 266 L HA -0.074 4.265 4.340 -0.001 0.000 0.215 266 L C 2.859 179.863 176.870 0.224 0.000 1.117 266 L CA 1.204 56.102 54.840 0.097 0.000 0.782 266 L CB -0.643 41.437 42.059 0.035 0.000 0.914 266 L HN 0.360 nan 8.230 nan 0.000 0.441 267 R N -0.565 120.048 120.500 0.188 0.000 2.236 267 R HA -0.060 4.280 4.340 -0.001 0.000 0.208 267 R C 1.824 178.152 176.300 0.046 0.000 1.036 267 R CA 0.691 56.885 56.100 0.156 0.000 1.001 267 R CB 0.003 30.404 30.300 0.169 0.000 0.896 267 R HN 0.301 nan 8.270 nan 0.000 0.464 268 E N 0.375 120.550 120.200 -0.042 0.000 2.400 268 E HA 0.060 4.410 4.350 -0.001 0.000 0.195 268 E C 0.258 176.862 176.600 0.007 0.000 1.012 268 E CA 0.278 56.651 56.400 -0.045 0.000 0.875 268 E CB 0.287 29.903 29.700 -0.140 0.000 0.859 268 E HN 0.206 nan 8.360 nan 0.000 0.498 269 K N 1.585 122.004 120.400 0.031 0.000 2.295 269 K HA 0.186 4.506 4.320 -0.001 0.000 0.270 269 K C 0.250 176.906 176.600 0.093 0.000 1.011 269 K CA -0.092 56.231 56.287 0.060 0.000 0.953 269 K CB 0.800 33.343 32.500 0.071 0.000 0.956 269 K HN -0.005 nan 8.250 nan 0.000 0.477 270 K N 2.355 122.808 120.400 0.088 0.000 2.258 270 K HA 0.071 4.390 4.320 -0.001 0.000 0.264 270 K C -1.564 175.136 176.600 0.166 0.000 1.007 270 K CA -1.165 55.182 56.287 0.100 0.000 0.941 270 K CB 0.028 32.573 32.500 0.075 0.000 0.966 270 K HN 0.481 nan 8.250 nan 0.000 0.480 271 P HA -0.233 nan 4.420 nan 0.000 0.215 271 P C 1.220 178.749 177.300 0.381 0.000 1.157 271 P CA 1.334 64.659 63.100 0.375 0.000 0.874 271 P CB 0.118 31.879 31.700 0.102 0.000 0.790 272 Q N 0.077 120.008 119.800 0.217 0.000 2.181 272 Q HA -0.182 4.157 4.340 -0.001 0.000 0.205 272 Q C 2.103 178.210 176.000 0.178 0.000 0.980 272 Q CA 1.396 57.314 55.803 0.192 0.000 0.862 272 Q CB -0.437 28.375 28.738 0.123 0.000 0.905 272 Q HN 0.495 nan 8.270 nan 0.000 0.429 273 E N 0.016 120.308 120.200 0.153 0.000 2.110 273 E HA -0.155 4.195 4.350 -0.001 0.000 0.193 273 E C 2.116 178.794 176.600 0.131 0.000 0.988 273 E CA 0.701 57.173 56.400 0.121 0.000 0.804 273 E CB -0.052 29.705 29.700 0.094 0.000 0.745 273 E HN 0.238 nan 8.360 nan 0.000 0.458 274 L N 0.666 121.979 121.223 0.150 0.000 2.017 274 L HA -0.190 4.149 4.340 -0.001 0.000 0.208 274 L C 2.350 179.315 176.870 0.158 0.000 1.073 274 L CA 1.098 55.990 54.840 0.088 0.000 0.745 274 L CB -0.349 41.655 42.059 -0.091 0.000 0.894 274 L HN 0.160 nan 8.230 nan 0.000 0.432 275 I N -0.543 120.178 120.570 0.252 0.000 2.226 275 I HA -0.287 3.883 4.170 -0.001 0.000 0.245 275 I C 2.081 178.347 176.117 0.248 0.000 1.100 275 I CA 1.102 62.595 61.300 0.323 0.000 1.374 275 I CB -0.704 37.528 38.000 0.388 0.000 1.057 275 I HN 0.284 nan 8.210 nan 0.000 0.413 276 D N 1.097 121.604 120.400 0.179 0.000 2.133 276 D HA -0.157 4.483 4.640 -0.001 0.000 0.192 276 D C 2.041 178.398 176.300 0.096 0.000 1.001 276 D CA 1.918 55.985 54.000 0.111 0.000 0.844 276 D CB -0.205 40.649 40.800 0.089 0.000 0.944 276 D HN 0.414 nan 8.370 nan 0.000 0.447 277 V N -1.844 118.147 119.914 0.129 0.000 3.647 277 V HA 0.154 4.273 4.120 -0.001 0.000 0.279 277 V C 1.813 178.029 176.094 0.203 0.000 1.314 277 V CA 0.187 62.565 62.300 0.129 0.000 1.125 277 V CB 0.243 32.129 31.823 0.104 0.000 0.907 277 V HN -0.007 nan 8.190 nan 0.000 0.434 278 E N 0.804 121.182 120.200 0.296 0.000 2.114 278 E HA -0.254 4.096 4.350 -0.001 0.000 0.199 278 E C 1.459 178.284 176.600 0.376 0.000 1.008 278 E CA 2.474 59.139 56.400 0.443 0.000 0.810 278 E CB -0.110 29.924 29.700 0.558 0.000 0.739 278 E HN 0.827 nan 8.360 nan 0.000 0.456 279 W N 0.867 122.144 121.300 -0.039 0.000 3.077 279 W HA 0.073 4.732 4.660 -0.001 0.000 0.245 279 W C 1.592 178.057 176.519 -0.090 0.000 1.316 279 W CA -0.135 57.142 57.345 -0.114 0.000 1.537 279 W CB -0.519 28.816 29.460 -0.207 0.000 1.131 279 W HN 0.111 nan 8.180 nan 0.000 0.695 280 N N 0.184 118.970 118.700 0.144 0.000 2.300 280 N HA -0.112 4.628 4.740 -0.001 0.000 0.179 280 N C 1.933 177.455 175.510 0.019 0.000 1.016 280 N CA 1.649 54.741 53.050 0.069 0.000 0.876 280 N CB -0.720 37.805 38.487 0.062 0.000 0.979 280 N HN 0.170 nan 8.380 nan 0.000 0.432 281 V N -0.922 118.989 119.914 -0.006 0.000 3.444 281 V HA 0.076 4.196 4.120 -0.001 0.000 0.271 281 V C 0.949 176.973 176.094 -0.117 0.000 1.188 281 V CA 0.242 62.504 62.300 -0.063 0.000 1.168 281 V CB -1.136 30.635 31.823 -0.087 0.000 0.810 281 V HN 0.042 nan 8.190 nan 0.000 0.500 282 L N 1.548 122.697 121.223 -0.122 0.000 2.499 282 L HA 0.176 4.516 4.340 -0.001 0.000 0.281 282 L C -0.415 176.402 176.870 -0.087 0.000 1.234 282 L CA -0.798 53.962 54.840 -0.133 0.000 0.839 282 L CB 0.163 42.144 42.059 -0.130 0.000 1.104 282 L HN 0.174 nan 8.230 nan 0.000 0.500 283 P HA 0.012 nan 4.420 nan 0.000 0.249 283 P C -0.355 176.918 177.300 -0.046 0.000 1.229 283 P CA 0.554 63.619 63.100 -0.057 0.000 0.788 283 P CB 0.084 31.751 31.700 -0.055 0.000 1.072 284 F N -4.025 115.893 119.950 -0.054 0.000 2.773 284 F HA 0.512 5.038 4.527 -0.001 0.000 0.314 284 F C -1.366 174.404 175.800 -0.050 0.000 1.160 284 F CA -2.009 55.964 58.000 -0.045 0.000 0.920 284 F CB 0.148 39.124 39.000 -0.041 0.000 1.323 284 F HN -0.338 nan 8.300 nan 0.000 0.457 285 D N 1.187 121.561 120.400 -0.042 0.000 2.348 285 D HA 0.609 5.249 4.640 -0.001 0.000 0.253 285 D C 0.171 176.436 176.300 -0.058 0.000 1.161 285 D CA 1.529 55.505 54.000 -0.040 0.000 0.876 285 D CB 0.940 41.722 40.800 -0.030 0.000 1.160 285 D HN 1.341 nan 8.370 nan 0.000 0.459 286 S N 2.892 118.551 115.700 -0.068 0.000 2.611 286 S HA 0.598 5.068 4.470 -0.001 0.000 0.268 286 S C -1.137 173.402 174.600 -0.100 0.000 1.156 286 S CA -0.770 57.376 58.200 -0.090 0.000 0.817 286 S CB 0.962 64.099 63.200 -0.104 0.000 1.122 286 S HN 0.292 nan 8.310 nan 0.000 0.466 287 I N 1.475 121.981 120.570 -0.108 0.000 2.569 287 I HA 0.636 4.805 4.170 -0.001 0.000 0.296 287 I C -0.351 175.681 176.117 -0.142 0.000 1.028 287 I CA -0.193 61.043 61.300 -0.108 0.000 1.082 287 I CB 1.290 39.251 38.000 -0.066 0.000 1.264 287 I HN 0.931 nan 8.210 nan 0.000 0.429 288 F N 3.887 123.567 119.950 -0.449 0.000 3.056 288 F HA -0.256 4.271 4.527 -0.001 0.000 0.301 288 F C 0.034 175.254 175.800 -0.967 0.000 0.907 288 F CA 0.364 57.855 58.000 -0.848 0.000 1.113 288 F CB -0.738 37.688 39.000 -0.957 0.000 1.123 288 F HN 0.585 nan 8.300 nan 0.000 0.661 289 R N 0.302 120.277 120.500 -0.876 0.000 2.604 289 R HA 0.721 5.060 4.340 -0.001 0.000 0.281 289 R C -1.202 174.454 176.300 -1.074 0.000 1.020 289 R CA -0.418 55.217 56.100 -0.775 0.000 0.899 289 R CB 1.181 31.284 30.300 -0.328 0.000 1.205 289 R HN -0.045 nan 8.270 nan 0.000 0.450 290 F N 0.219 120.139 119.950 -0.050 0.000 2.556 290 F HA 0.375 4.902 4.527 -0.001 0.000 0.327 290 F C 1.398 177.069 175.800 -0.216 0.000 1.059 290 F CA -0.754 57.147 58.000 -0.165 0.000 0.953 290 F CB 2.040 41.067 39.000 0.045 0.000 1.227 290 F HN 0.605 nan 8.300 nan 0.000 0.478 291 S N -0.042 115.563 115.700 -0.158 0.000 2.341 291 S HA 0.116 4.586 4.470 -0.001 0.000 0.216 291 S C 0.130 174.428 174.600 -0.502 0.000 1.034 291 S CA 0.567 58.511 58.200 -0.427 0.000 0.964 291 S CB -0.404 62.403 63.200 -0.656 0.000 0.882 291 S HN 0.281 nan 8.310 nan 0.000 0.469 292 F N 1.786 121.768 119.950 0.054 0.000 2.371 292 F HA 0.755 5.282 4.527 -0.001 0.000 0.363 292 F C 0.054 175.835 175.800 -0.032 0.000 1.122 292 F CA -0.836 57.209 58.000 0.076 0.000 1.129 292 F CB 1.228 40.329 39.000 0.168 0.000 1.173 292 F HN -0.005 nan 8.300 nan 0.000 0.489 293 V N 4.514 124.411 119.914 -0.029 0.000 3.167 293 V HA 0.570 4.689 4.120 -0.001 0.000 0.310 293 V C -2.284 173.575 176.094 -0.392 0.000 1.207 293 V CA -2.801 59.203 62.300 -0.494 0.000 1.059 293 V CB 2.982 34.682 31.823 -0.205 0.000 1.079 293 V HN 0.333 nan 8.190 nan 0.000 0.446 294 P HA 0.059 nan 4.420 nan 0.000 0.264 294 P C -1.093 176.139 177.300 -0.114 0.000 1.183 294 P CA 0.621 63.604 63.100 -0.195 0.000 0.763 294 P CB 0.395 31.914 31.700 -0.302 0.000 0.807 295 V N 5.087 125.008 119.914 0.012 0.000 2.547 295 V HA 0.314 4.434 4.120 -0.001 0.000 0.299 295 V C -0.100 176.016 176.094 0.036 0.000 1.040 295 V CA -0.945 61.342 62.300 -0.020 0.000 0.913 295 V CB 1.212 33.033 31.823 -0.003 0.000 0.992 295 V HN 0.249 nan 8.190 nan 0.000 0.449 296 I N 6.725 127.260 120.570 -0.057 0.000 2.278 296 I HA 0.213 4.383 4.170 -0.001 0.000 0.300 296 I C 0.846 176.973 176.117 0.016 0.000 1.174 296 I CA 0.064 61.369 61.300 0.010 0.000 1.347 296 I CB -0.018 37.896 38.000 -0.143 0.000 1.473 296 I HN 0.789 nan 8.210 nan 0.000 0.595 297 D N 3.111 123.563 120.400 0.088 0.000 2.339 297 D HA 0.056 4.695 4.640 -0.001 0.000 0.217 297 D C 1.416 177.732 176.300 0.026 0.000 1.050 297 D CA 0.708 54.640 54.000 -0.113 0.000 0.856 297 D CB 0.510 41.281 40.800 -0.049 0.000 0.922 297 D HN 0.650 nan 8.370 nan 0.000 0.518 298 G N -0.572 108.311 108.800 0.139 0.000 2.199 298 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.254 298 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.254 298 G C 0.987 175.973 174.900 0.143 0.000 0.982 298 G CA 0.585 45.770 45.100 0.143 0.000 0.632 298 G HN 0.387 nan 8.290 nan 0.000 0.529 299 E N -0.949 119.344 120.200 0.154 0.000 2.184 299 E HA 0.419 4.769 4.350 -0.001 0.000 0.194 299 E C 1.814 178.452 176.600 0.063 0.000 0.978 299 E CA 0.401 56.868 56.400 0.112 0.000 0.998 299 E CB -0.713 29.064 29.700 0.129 0.000 1.240 299 E HN 0.420 nan 8.360 nan 0.000 0.492 300 F N 0.730 120.607 119.950 -0.122 0.000 2.091 300 F HA -0.012 4.514 4.527 -0.001 0.000 0.299 300 F C 0.421 175.891 175.800 -0.551 0.000 1.103 300 F CA 1.278 59.056 58.000 -0.371 0.000 1.228 300 F CB 0.024 38.725 39.000 -0.499 0.000 0.984 300 F HN 0.050 nan 8.300 nan 0.000 0.477 301 F N 0.688 120.814 119.950 0.294 0.000 2.426 301 F HA 0.334 4.861 4.527 -0.001 0.000 0.348 301 F C -1.459 174.410 175.800 0.115 0.000 1.124 301 F CA -2.704 55.408 58.000 0.186 0.000 1.008 301 F CB 0.663 39.748 39.000 0.141 0.000 1.139 301 F HN -0.262 nan 8.300 nan 0.000 0.452 302 P HA -0.006 nan 4.420 nan 0.000 0.216 302 P C 0.145 177.535 177.300 0.150 0.000 1.153 302 P CA 1.221 64.409 63.100 0.147 0.000 0.844 302 P CB 0.363 32.126 31.700 0.104 0.000 0.787 303 T N -1.328 113.327 114.554 0.169 0.000 2.742 303 T HA 0.353 4.703 4.350 -0.001 0.000 0.282 303 T C -0.386 174.382 174.700 0.113 0.000 1.025 303 T CA -0.501 61.671 62.100 0.120 0.000 1.020 303 T CB 1.022 69.947 68.868 0.096 0.000 1.317 303 T HN -0.004 nan 8.240 nan 0.000 0.538 304 S N 0.709 116.442 115.700 0.055 0.000 2.560 304 S HA 0.149 4.619 4.470 -0.001 0.000 0.284 304 S C 1.485 176.098 174.600 0.022 0.000 1.327 304 S CA -0.596 57.606 58.200 0.003 0.000 1.055 304 S CB -0.237 62.955 63.200 -0.013 0.000 0.868 304 S HN 0.605 nan 8.310 nan 0.000 0.506 305 L N 0.438 121.631 121.223 -0.050 0.000 2.187 305 L HA -0.111 4.228 4.340 -0.001 0.000 0.213 305 L C 2.751 179.658 176.870 0.062 0.000 1.100 305 L CA 1.656 56.495 54.840 -0.001 0.000 0.765 305 L CB -0.789 41.203 42.059 -0.112 0.000 0.904 305 L HN 0.750 nan 8.230 nan 0.000 0.437 306 E N 0.360 120.580 120.200 0.033 0.000 2.107 306 E HA -0.129 4.221 4.350 -0.001 0.000 0.191 306 E C 2.300 178.956 176.600 0.095 0.000 0.982 306 E CA 1.303 57.747 56.400 0.073 0.000 0.809 306 E CB 0.050 29.774 29.700 0.039 0.000 0.756 306 E HN 0.228 nan 8.360 nan 0.000 0.459 307 S N -0.150 115.599 115.700 0.080 0.000 2.356 307 S HA -0.144 4.325 4.470 -0.001 0.000 0.223 307 S C 1.914 176.594 174.600 0.133 0.000 1.032 307 S CA 1.467 59.722 58.200 0.091 0.000 1.005 307 S CB -0.254 62.991 63.200 0.076 0.000 0.867 307 S HN 0.314 nan 8.310 nan 0.000 0.449 308 M N 0.869 120.567 119.600 0.164 0.000 2.082 308 M HA -0.146 4.334 4.480 -0.001 0.000 0.258 308 M C 2.043 178.553 176.300 0.350 0.000 1.069 308 M CA 1.542 56.989 55.300 0.244 0.000 1.102 308 M CB -0.815 31.956 32.600 0.285 0.000 1.336 308 M HN 0.255 nan 8.290 nan 0.000 0.404 309 L N 0.337 121.738 121.223 0.296 0.000 2.046 309 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 309 L C 2.890 179.896 176.870 0.227 0.000 1.077 309 L CA 1.718 56.733 54.840 0.292 0.000 0.747 309 L CB -1.577 40.537 42.059 0.092 0.000 0.896 309 L HN 0.564 nan 8.230 nan 0.000 0.432 310 N N -0.942 117.847 118.700 0.148 0.000 2.396 310 N HA -0.116 4.624 4.740 -0.001 0.000 0.180 310 N C 1.804 177.406 175.510 0.153 0.000 1.028 310 N CA 1.451 54.563 53.050 0.102 0.000 0.893 310 N CB -0.331 38.208 38.487 0.086 0.000 0.967 310 N HN 0.300 nan 8.380 nan 0.000 0.440 311 S N -1.471 114.334 115.700 0.175 0.000 2.540 311 S HA 0.444 4.914 4.470 -0.001 0.000 0.218 311 S C 1.692 176.399 174.600 0.177 0.000 0.977 311 S CA 0.301 58.599 58.200 0.162 0.000 0.918 311 S CB 0.307 63.555 63.200 0.081 0.000 0.806 311 S HN 1.206 nan 8.310 nan 0.000 0.496 312 G N 2.886 111.782 108.800 0.160 0.000 2.143 312 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.248 312 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.248 312 G C 0.048 174.522 174.900 -0.711 0.000 0.991 312 G CA 0.172 45.062 45.100 -0.350 0.000 0.689 312 G HN 0.601 nan 8.290 nan 0.000 0.522 313 N N 0.229 118.768 118.700 -0.269 0.000 3.178 313 N HA 0.498 5.238 4.740 -0.001 0.000 0.300 313 N C -0.022 175.543 175.510 0.090 0.000 1.242 313 N CA -0.178 52.821 53.050 -0.085 0.000 1.192 313 N CB -0.263 38.262 38.487 0.063 0.000 1.463 313 N HN 0.511 nan 8.380 nan 0.000 0.539 314 F N -1.326 118.709 119.950 0.141 0.000 2.741 314 F HA 0.394 4.921 4.527 -0.001 0.000 0.311 314 F C -0.633 175.264 175.800 0.161 0.000 1.149 314 F CA -1.506 56.605 58.000 0.186 0.000 0.930 314 F CB 0.562 39.725 39.000 0.272 0.000 1.312 314 F HN -0.214 nan 8.300 nan 0.000 0.450 315 K N 1.361 122.055 120.400 0.489 0.000 2.448 315 K HA 0.198 4.518 4.320 -0.001 0.000 0.278 315 K C -1.058 175.817 176.600 0.459 0.000 1.009 315 K CA -0.058 56.425 56.287 0.328 0.000 0.995 315 K CB 0.498 33.154 32.500 0.261 0.000 0.917 315 K HN 0.761 nan 8.250 nan 0.000 0.481 316 K N 2.831 123.370 120.400 0.231 0.000 2.464 316 K HA 0.170 4.490 4.320 -0.001 0.000 0.252 316 K C -0.466 176.231 176.600 0.162 0.000 1.000 316 K CA -0.424 55.967 56.287 0.172 0.000 0.951 316 K CB 1.866 34.382 32.500 0.026 0.000 1.183 316 K HN 0.567 nan 8.250 nan 0.000 0.445 317 T N 0.191 114.918 114.554 0.287 0.000 2.618 317 T HA 0.261 4.610 4.350 -0.001 0.000 0.286 317 T C -1.567 173.334 174.700 0.336 0.000 1.027 317 T CA -0.655 61.584 62.100 0.231 0.000 1.063 317 T CB 1.144 70.135 68.868 0.205 0.000 1.440 317 T HN 0.457 nan 8.240 nan 0.000 0.505 318 Q N 1.819 121.804 119.800 0.308 0.000 2.257 318 Q HA 0.669 5.008 4.340 -0.001 0.000 0.262 318 Q C -0.438 175.889 176.000 0.545 0.000 0.997 318 Q CA -0.858 55.193 55.803 0.414 0.000 0.873 318 Q CB 1.654 30.640 28.738 0.413 0.000 1.312 318 Q HN 0.863 nan 8.270 nan 0.000 0.450 319 I N -1.673 119.151 120.570 0.424 0.000 2.892 319 I HA 0.715 4.885 4.170 -0.001 0.000 0.306 319 I C -1.228 174.825 176.117 -0.106 0.000 1.078 319 I CA -1.570 59.848 61.300 0.195 0.000 1.032 319 I CB 2.382 40.354 38.000 -0.046 0.000 1.229 319 I HN 0.590 nan 8.210 nan 0.000 0.435 320 L N 5.812 126.746 121.223 -0.481 0.000 2.406 320 L HA 0.724 5.064 4.340 -0.001 0.000 0.272 320 L C -1.263 175.466 176.870 -0.235 0.000 0.980 320 L CA -0.484 53.988 54.840 -0.613 0.000 0.831 320 L CB 1.539 42.703 42.059 -1.492 0.000 1.253 320 L HN 0.801 nan 8.230 nan 0.000 0.406 321 L N 2.339 123.558 121.223 -0.007 0.000 2.403 321 L HA 1.130 5.470 4.340 -0.001 0.000 0.253 321 L C -0.667 176.129 176.870 -0.124 0.000 1.045 321 L CA -0.499 54.367 54.840 0.043 0.000 0.845 321 L CB 2.021 44.058 42.059 -0.037 0.000 1.447 321 L HN 0.648 nan 8.230 nan 0.000 0.411 322 G N -0.185 108.375 108.800 -0.401 0.000 2.488 322 G HA2 0.571 4.531 3.960 -0.001 0.000 0.301 322 G HA3 0.571 4.531 3.960 -0.001 0.000 0.301 322 G C -2.179 172.427 174.900 -0.490 0.000 1.339 322 G CA -0.424 44.040 45.100 -1.060 0.000 0.803 322 G HN 0.592 nan 8.290 nan 0.000 0.482 323 V N 0.029 119.718 119.914 -0.375 0.000 3.130 323 V HA 0.648 4.768 4.120 -0.001 0.000 0.310 323 V C -0.994 175.107 176.094 0.011 0.000 1.158 323 V CA -1.071 61.201 62.300 -0.047 0.000 1.029 323 V CB 2.509 34.350 31.823 0.031 0.000 1.057 323 V HN 0.719 nan 8.190 nan 0.000 0.436 324 N N 1.136 119.876 118.700 0.065 0.000 2.430 324 N HA 0.411 5.150 4.740 -0.001 0.000 0.298 324 N C 0.624 176.064 175.510 -0.117 0.000 1.130 324 N CA -0.631 52.447 53.050 0.047 0.000 0.894 324 N CB 1.732 40.342 38.487 0.204 0.000 1.209 324 N HN 0.654 nan 8.380 nan 0.000 0.503 325 K N 0.185 120.410 120.400 -0.291 0.000 2.032 325 K HA -0.065 4.254 4.320 -0.001 0.000 0.209 325 K C -0.651 175.998 176.600 0.082 0.000 1.048 325 K CA 1.272 57.454 56.287 -0.175 0.000 0.927 325 K CB 0.183 32.579 32.500 -0.173 0.000 0.712 325 K HN 0.536 nan 8.250 nan 0.000 0.441 326 D N 1.353 121.807 120.400 0.091 0.000 2.483 326 D HA 0.044 4.683 4.640 -0.001 0.000 0.281 326 D C 0.105 176.506 176.300 0.168 0.000 1.174 326 D CA -0.064 54.014 54.000 0.130 0.000 0.938 326 D CB 1.440 42.294 40.800 0.090 0.000 1.002 326 D HN 0.177 nan 8.370 nan 0.000 0.501 327 E N 0.606 120.934 120.200 0.213 0.000 2.208 327 E HA -0.058 4.292 4.350 -0.001 0.000 0.193 327 E C 1.988 178.788 176.600 0.333 0.000 0.988 327 E CA 0.278 56.864 56.400 0.310 0.000 0.828 327 E CB 0.269 30.157 29.700 0.312 0.000 0.763 327 E HN 0.453 nan 8.360 nan 0.000 0.478 328 G N 1.325 110.272 108.800 0.245 0.000 2.394 328 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.215 328 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.215 328 G C 1.718 176.725 174.900 0.179 0.000 1.165 328 G CA 0.908 46.155 45.100 0.244 0.000 0.784 328 G HN 0.201 nan 8.290 nan 0.000 0.535 329 S N 0.992 116.748 115.700 0.093 0.000 2.444 329 S HA -0.377 4.092 4.470 -0.001 0.000 0.274 329 S C 1.892 176.413 174.600 -0.131 0.000 1.130 329 S CA 2.014 60.193 58.200 -0.035 0.000 1.243 329 S CB -0.803 62.285 63.200 -0.187 0.000 1.166 329 S HN 0.529 nan 8.310 nan 0.000 0.439 330 F N 2.188 121.905 119.950 -0.387 0.000 2.120 330 F HA -0.134 4.392 4.527 -0.001 0.000 0.300 330 F C 1.788 177.234 175.800 -0.591 0.000 1.095 330 F CA 1.246 58.876 58.000 -0.617 0.000 1.249 330 F CB -0.790 37.661 39.000 -0.914 0.000 0.995 330 F HN 0.169 nan 8.300 nan 0.000 0.480 331 F N 0.256 119.773 119.950 -0.723 0.000 2.146 331 F HA -0.115 4.412 4.527 -0.001 0.000 0.298 331 F C 2.303 177.855 175.800 -0.412 0.000 1.096 331 F CA 1.239 58.786 58.000 -0.754 0.000 1.275 331 F CB -1.082 37.528 39.000 -0.649 0.000 1.008 331 F HN -0.023 nan 8.300 nan 0.000 0.480 332 L N -0.246 120.847 121.223 -0.217 0.000 1.976 332 L HA -0.225 4.115 4.340 -0.001 0.000 0.209 332 L C 2.611 179.309 176.870 -0.288 0.000 1.071 332 L CA 0.927 55.492 54.840 -0.458 0.000 0.746 332 L CB -0.837 40.624 42.059 -0.998 0.000 0.890 332 L HN 0.189 nan 8.230 nan 0.000 0.432 333 L N -0.841 120.362 121.223 -0.032 0.000 2.089 333 L HA -0.309 4.030 4.340 -0.001 0.000 0.213 333 L C 2.432 179.449 176.870 0.246 0.000 1.079 333 L CA 2.235 57.264 54.840 0.315 0.000 0.758 333 L CB -0.585 41.701 42.059 0.378 0.000 0.891 333 L HN 0.281 nan 8.230 nan 0.000 0.433 334 Y N -0.627 119.634 120.300 -0.065 0.000 2.517 334 Y HA 0.139 4.688 4.550 -0.001 0.000 0.281 334 Y C 2.026 177.911 175.900 -0.026 0.000 1.125 334 Y CA 0.875 58.958 58.100 -0.028 0.000 1.283 334 Y CB 0.243 38.579 38.460 -0.207 0.000 1.042 334 Y HN 0.290 nan 8.280 nan 0.000 0.547 335 G N -1.471 107.376 108.800 0.079 0.000 5.070 335 G HA2 0.475 4.435 3.960 -0.001 0.000 0.249 335 G HA3 0.475 4.435 3.960 -0.001 0.000 0.249 335 G C -0.604 174.328 174.900 0.054 0.000 0.931 335 G CA 0.236 45.374 45.100 0.064 0.000 0.753 335 G HN 0.248 nan 8.290 nan 0.000 0.320 336 A N 1.312 124.181 122.820 0.081 0.000 2.330 336 A HA 0.881 5.201 4.320 -0.001 0.000 0.327 336 A C -2.763 174.995 177.584 0.289 0.000 1.155 336 A CA -1.661 50.463 52.037 0.144 0.000 0.803 336 A CB 1.593 20.643 19.000 0.083 0.000 1.208 336 A HN 0.028 nan 8.150 nan 0.000 0.477 337 P HA 0.387 nan 4.420 nan 0.000 0.282 337 P C 0.753 178.099 177.300 0.078 0.000 1.274 337 P CA 1.043 64.219 63.100 0.127 0.000 0.770 337 P CB 1.091 32.827 31.700 0.060 0.000 0.867 338 G N 2.336 111.141 108.800 0.008 0.000 2.380 338 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.197 338 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.197 338 G C -0.342 174.338 174.900 -0.366 0.000 1.001 338 G CA -0.587 44.380 45.100 -0.223 0.000 0.668 338 G HN 0.385 nan 8.290 nan 0.000 0.483 339 F N 2.477 122.384 119.950 -0.073 0.000 2.399 339 F HA 0.691 5.218 4.527 -0.001 0.000 0.334 339 F C 0.801 176.635 175.800 0.057 0.000 1.097 339 F CA 0.099 58.035 58.000 -0.106 0.000 1.076 339 F CB 2.155 41.167 39.000 0.020 0.000 1.162 339 F HN 0.288 nan 8.300 nan 0.000 0.495 340 S N 0.989 116.865 115.700 0.294 0.000 2.537 340 S HA 0.314 4.783 4.470 -0.001 0.000 0.271 340 S C 0.206 175.078 174.600 0.452 0.000 1.148 340 S CA -1.226 57.169 58.200 0.324 0.000 0.868 340 S CB 1.990 65.287 63.200 0.161 0.000 1.115 340 S HN 0.703 nan 8.310 nan 0.000 0.461 341 K N 0.335 120.982 120.400 0.412 0.000 2.103 341 K HA -0.117 4.202 4.320 -0.001 0.000 0.207 341 K C 0.104 176.835 176.600 0.217 0.000 1.048 341 K CA 1.846 58.308 56.287 0.291 0.000 0.930 341 K CB -0.157 32.298 32.500 -0.075 0.000 0.716 341 K HN 0.652 nan 8.250 nan 0.000 0.444 342 D N 0.101 120.585 120.400 0.141 0.000 2.340 342 D HA 0.025 4.665 4.640 -0.001 0.000 0.217 342 D C 0.099 176.459 176.300 0.100 0.000 1.081 342 D CA 0.169 54.217 54.000 0.080 0.000 0.842 342 D CB 0.826 41.633 40.800 0.012 0.000 0.934 342 D HN 0.024 nan 8.370 nan 0.000 0.511 343 S N 0.057 115.839 115.700 0.137 0.000 2.739 343 S HA 0.224 4.693 4.470 -0.001 0.000 0.306 343 S C 0.653 175.290 174.600 0.063 0.000 1.115 343 S CA -0.462 57.771 58.200 0.056 0.000 0.985 343 S CB 1.532 64.731 63.200 -0.002 0.000 1.133 343 S HN -0.007 nan 8.310 nan 0.000 0.541 344 E N 0.179 120.350 120.200 -0.050 0.000 2.394 344 E HA 0.297 4.646 4.350 -0.001 0.000 0.191 344 E C -0.044 176.263 176.600 -0.488 0.000 1.044 344 E CA 0.195 56.527 56.400 -0.113 0.000 0.939 344 E CB -1.007 28.699 29.700 0.010 0.000 1.089 344 E HN 0.713 nan 8.360 nan 0.000 0.456 345 S N 0.985 116.337 115.700 -0.581 0.000 3.247 345 S HA -0.220 4.249 4.470 -0.001 0.000 0.341 345 S C -0.086 174.127 174.600 -0.645 0.000 0.924 345 S CA 0.913 58.662 58.200 -0.752 0.000 1.323 345 S CB -1.412 61.002 63.200 -1.310 0.000 0.918 345 S HN 0.583 nan 8.310 nan 0.000 0.523 346 K N 1.042 121.203 120.400 -0.398 0.000 2.312 346 K HA 0.392 4.711 4.320 -0.001 0.000 0.287 346 K C -0.022 176.384 176.600 -0.323 0.000 1.062 346 K CA -0.434 55.678 56.287 -0.292 0.000 0.934 346 K CB 0.557 32.948 32.500 -0.182 0.000 1.027 346 K HN 0.220 nan 8.250 nan 0.000 0.478 347 I N 2.285 122.669 120.570 -0.311 0.000 2.428 347 I HA 0.061 4.231 4.170 -0.001 0.000 0.296 347 I C 0.487 176.526 176.117 -0.130 0.000 0.985 347 I CA 0.103 61.241 61.300 -0.269 0.000 1.260 347 I CB 1.659 39.473 38.000 -0.310 0.000 1.389 347 I HN 0.602 nan 8.210 nan 0.000 0.484 348 S N 5.821 121.461 115.700 -0.100 0.000 2.632 348 S HA 0.397 4.867 4.470 -0.001 0.000 0.267 348 S C 1.157 175.749 174.600 -0.012 0.000 1.276 348 S CA -0.684 57.477 58.200 -0.065 0.000 0.998 348 S CB 1.031 64.198 63.200 -0.056 0.000 0.953 348 S HN 0.442 nan 8.310 nan 0.000 0.547 349 R N 0.783 121.260 120.500 -0.038 0.000 2.193 349 R HA -0.040 4.300 4.340 -0.001 0.000 0.229 349 R C 2.383 178.740 176.300 0.095 0.000 1.110 349 R CA 1.070 57.168 56.100 -0.004 0.000 0.988 349 R CB -1.177 29.083 30.300 -0.067 0.000 0.871 349 R HN 0.842 nan 8.270 nan 0.000 0.458 350 E N 0.972 121.201 120.200 0.050 0.000 2.028 350 E HA -0.131 4.218 4.350 -0.001 0.000 0.191 350 E C 1.203 177.846 176.600 0.072 0.000 0.988 350 E CA 1.405 57.838 56.400 0.056 0.000 0.799 350 E CB -0.118 29.595 29.700 0.022 0.000 0.755 350 E HN 0.355 nan 8.360 nan 0.000 0.447 351 D N -0.739 119.690 120.400 0.049 0.000 2.264 351 D HA -0.050 4.590 4.640 -0.001 0.000 0.208 351 D C 1.640 177.996 176.300 0.093 0.000 0.966 351 D CA 0.754 54.780 54.000 0.043 0.000 0.864 351 D CB -0.399 40.390 40.800 -0.019 0.000 0.933 351 D HN 0.396 nan 8.370 nan 0.000 0.499 352 F N 1.195 121.131 119.950 -0.024 0.000 2.075 352 F HA -0.263 4.264 4.527 -0.001 0.000 0.297 352 F C 2.560 178.371 175.800 0.019 0.000 1.113 352 F CA 1.281 59.282 58.000 0.001 0.000 1.218 352 F CB -0.275 38.707 39.000 -0.030 0.000 0.984 352 F HN -0.167 nan 8.300 nan 0.000 0.472 353 M N -0.387 119.352 119.600 0.231 0.000 2.279 353 M HA -0.132 4.347 4.480 -0.001 0.000 0.264 353 M C 2.357 178.648 176.300 -0.015 0.000 1.062 353 M CA 1.607 56.962 55.300 0.093 0.000 1.099 353 M CB -1.586 31.119 32.600 0.175 0.000 1.394 353 M HN 0.368 nan 8.290 nan 0.000 0.426 354 S N 0.455 116.159 115.700 0.006 0.000 2.387 354 S HA -0.003 4.467 4.470 -0.001 0.000 0.226 354 S C 2.237 176.812 174.600 -0.042 0.000 1.026 354 S CA 1.215 59.410 58.200 -0.008 0.000 0.972 354 S CB -0.904 62.305 63.200 0.015 0.000 0.814 354 S HN 0.742 nan 8.310 nan 0.000 0.477 355 G N 1.437 110.199 108.800 -0.064 0.000 2.433 355 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.216 355 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.216 355 G C 1.550 176.352 174.900 -0.162 0.000 1.186 355 G CA 0.921 45.973 45.100 -0.081 0.000 0.779 355 G HN 0.432 nan 8.290 nan 0.000 0.543 356 V N 0.696 120.440 119.914 -0.284 0.000 2.469 356 V HA -0.134 3.985 4.120 -0.001 0.000 0.251 356 V C 2.604 178.606 176.094 -0.154 0.000 1.064 356 V CA 2.620 64.771 62.300 -0.248 0.000 1.066 356 V CB -0.397 31.238 31.823 -0.313 0.000 0.667 356 V HN 0.341 nan 8.190 nan 0.000 0.461 357 K N -0.219 120.111 120.400 -0.117 0.000 2.097 357 K HA -0.099 4.221 4.320 -0.001 0.000 0.206 357 K C 2.083 178.618 176.600 -0.109 0.000 1.049 357 K CA 1.820 58.050 56.287 -0.094 0.000 0.933 357 K CB -0.349 32.116 32.500 -0.058 0.000 0.717 357 K HN 0.489 nan 8.250 nan 0.000 0.442 358 L N 0.731 121.896 121.223 -0.097 0.000 2.156 358 L HA -0.122 4.218 4.340 -0.001 0.000 0.208 358 L C 2.257 179.054 176.870 -0.120 0.000 1.095 358 L CA 0.888 55.673 54.840 -0.092 0.000 0.770 358 L CB -0.264 41.756 42.059 -0.064 0.000 0.914 358 L HN 0.061 nan 8.230 nan 0.000 0.439 359 S N -0.851 114.764 115.700 -0.142 0.000 2.436 359 S HA -0.002 4.468 4.470 -0.001 0.000 0.228 359 S C 1.020 175.454 174.600 -0.276 0.000 1.014 359 S CA 0.438 58.538 58.200 -0.167 0.000 0.950 359 S CB 0.196 63.299 63.200 -0.161 0.000 0.784 359 S HN 0.162 nan 8.310 nan 0.000 0.504 360 V N 3.188 122.920 119.914 -0.304 0.000 2.294 360 V HA 0.221 4.340 4.120 -0.001 0.000 0.258 360 V C -1.941 173.835 176.094 -0.530 0.000 1.080 360 V CA -1.416 60.573 62.300 -0.519 0.000 1.128 360 V CB 0.434 32.055 31.823 -0.338 0.000 1.323 360 V HN 0.174 nan 8.190 nan 0.000 0.498 361 P HA -0.165 nan 4.420 nan 0.000 0.223 361 P C 1.024 178.226 177.300 -0.164 0.000 1.144 361 P CA 1.485 64.462 63.100 -0.205 0.000 0.783 361 P CB 0.003 31.651 31.700 -0.086 0.000 0.771 362 H N -2.012 117.035 119.070 -0.039 0.000 2.586 362 H HA 0.519 5.075 4.556 -0.001 0.000 0.273 362 H C 0.639 175.955 175.328 -0.020 0.000 0.997 362 H CA -0.284 55.747 56.048 -0.028 0.000 1.177 362 H CB -0.192 29.557 29.762 -0.023 0.000 1.471 362 H HN -0.058 nan 8.280 nan 0.000 0.538 363 A N 2.538 125.229 122.820 -0.215 0.000 2.332 363 A HA 0.233 4.552 4.320 -0.001 0.000 0.258 363 A C 0.422 177.988 177.584 -0.029 0.000 1.087 363 A CA -0.352 51.645 52.037 -0.065 0.000 0.802 363 A CB 0.356 19.305 19.000 -0.084 0.000 1.042 363 A HN 0.653 nan 8.150 nan 0.000 0.489 364 N N -0.035 118.664 118.700 -0.000 0.000 2.530 364 N HA 0.450 5.190 4.740 -0.001 0.000 0.283 364 N C 0.694 176.208 175.510 0.008 0.000 1.238 364 N CA 0.129 53.180 53.050 0.002 0.000 0.971 364 N CB -0.204 38.285 38.487 0.005 0.000 1.195 364 N HN 0.533 nan 8.380 nan 0.000 0.583 365 D N -0.226 120.180 120.400 0.011 0.000 2.149 365 D HA -0.151 4.489 4.640 -0.001 0.000 0.194 365 D C 1.701 178.023 176.300 0.036 0.000 1.001 365 D CA 1.643 55.656 54.000 0.022 0.000 0.849 365 D CB -0.485 40.327 40.800 0.021 0.000 0.939 365 D HN 0.520 nan 8.370 nan 0.000 0.449 366 L N -0.061 121.182 121.223 0.033 0.000 2.093 366 L HA 0.084 4.424 4.340 -0.001 0.000 0.208 366 L C 3.090 180.003 176.870 0.072 0.000 1.085 366 L CA 1.372 56.241 54.840 0.048 0.000 0.755 366 L CB -0.487 41.592 42.059 0.034 0.000 0.904 366 L HN 0.398 nan 8.230 nan 0.000 0.435 367 G N -0.124 108.708 108.800 0.054 0.000 2.421 367 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.216 367 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.216 367 G C 1.535 176.494 174.900 0.099 0.000 1.171 367 G CA 0.658 45.803 45.100 0.074 0.000 0.775 367 G HN 0.298 nan 8.290 nan 0.000 0.543 368 L N 0.399 121.658 121.223 0.060 0.000 2.042 368 L HA -0.092 4.248 4.340 -0.001 0.000 0.210 368 L C 2.556 179.488 176.870 0.103 0.000 1.076 368 L CA 1.298 56.174 54.840 0.060 0.000 0.749 368 L CB -0.447 41.630 42.059 0.030 0.000 0.893 368 L HN 0.081 nan 8.230 nan 0.000 0.432 369 D N 0.114 120.577 120.400 0.105 0.000 2.123 369 D HA -0.182 4.458 4.640 -0.001 0.000 0.196 369 D C 2.225 178.611 176.300 0.142 0.000 0.992 369 D CA 1.526 55.602 54.000 0.126 0.000 0.833 369 D CB -0.079 40.778 40.800 0.096 0.000 0.954 369 D HN 0.326 nan 8.370 nan 0.000 0.455 370 A N 0.171 123.087 122.820 0.160 0.000 1.933 370 A HA -0.134 4.185 4.320 -0.001 0.000 0.218 370 A C 2.473 180.086 177.584 0.047 0.000 1.175 370 A CA 1.304 53.460 52.037 0.198 0.000 0.628 370 A CB -0.664 18.585 19.000 0.416 0.000 0.814 370 A HN 0.156 nan 8.150 nan 0.000 0.444 371 V N -0.218 119.753 119.914 0.096 0.000 2.295 371 V HA -0.230 3.889 4.120 -0.001 0.000 0.246 371 V C 2.722 178.881 176.094 0.110 0.000 1.049 371 V CA 2.465 64.759 62.300 -0.010 0.000 1.024 371 V CB -1.501 30.374 31.823 0.087 0.000 0.648 371 V HN 0.593 nan 8.190 nan 0.000 0.447 372 T N 0.476 115.151 114.554 0.201 0.000 2.720 372 T HA -0.232 4.118 4.350 -0.001 0.000 0.268 372 T C 1.929 176.835 174.700 0.344 0.000 1.037 372 T CA 1.786 64.088 62.100 0.336 0.000 1.144 372 T CB -0.392 68.700 68.868 0.373 0.000 0.864 372 T HN 0.318 nan 8.240 nan 0.000 0.444 373 L N 0.827 122.230 121.223 0.300 0.000 2.013 373 L HA -0.228 4.112 4.340 -0.001 0.000 0.212 373 L C 2.841 179.835 176.870 0.206 0.000 1.073 373 L CA 1.557 56.605 54.840 0.346 0.000 0.753 373 L CB -0.336 41.773 42.059 0.083 0.000 0.890 373 L HN 0.286 nan 8.230 nan 0.000 0.432 374 Q N -1.057 118.669 119.800 -0.124 0.000 2.123 374 Q HA -0.183 4.156 4.340 -0.001 0.000 0.199 374 Q C 1.818 177.587 176.000 -0.385 0.000 0.966 374 Q CA 1.636 57.212 55.803 -0.378 0.000 0.845 374 Q CB -0.377 27.833 28.738 -0.880 0.000 0.907 374 Q HN 0.604 nan 8.270 nan 0.000 0.439 375 Y N 0.674 120.940 120.300 -0.056 0.000 2.511 375 Y HA 0.098 4.647 4.550 -0.001 0.000 0.279 375 Y C 0.677 176.557 175.900 -0.034 0.000 1.157 375 Y CA 0.245 58.364 58.100 0.032 0.000 1.300 375 Y CB 0.636 39.185 38.460 0.149 0.000 1.052 375 Y HN -0.129 nan 8.280 nan 0.000 0.529 376 T N 0.584 115.071 114.554 -0.112 0.000 2.875 376 T HA 0.066 4.415 4.350 -0.001 0.000 0.284 376 T C -0.617 173.705 174.700 -0.630 0.000 0.995 376 T CA -0.703 61.061 62.100 -0.560 0.000 1.060 376 T CB 0.972 69.137 68.868 -1.172 0.000 0.967 376 T HN -0.021 nan 8.240 nan 0.000 0.476 377 D N 1.715 121.800 120.400 -0.525 0.000 2.441 377 D HA 0.102 4.742 4.640 -0.001 0.000 0.221 377 D C 0.231 176.281 176.300 -0.416 0.000 1.156 377 D CA -0.720 53.087 54.000 -0.321 0.000 0.896 377 D CB 0.251 40.941 40.800 -0.183 0.000 1.028 377 D HN 0.575 nan 8.370 nan 0.000 0.509 378 W N 2.826 124.085 121.300 -0.067 0.000 2.364 378 W HA -0.066 4.593 4.660 -0.001 0.000 0.281 378 W C 2.140 178.626 176.519 -0.055 0.000 1.219 378 W CA 0.177 57.483 57.345 -0.064 0.000 1.220 378 W CB -0.295 29.131 29.460 -0.056 0.000 1.127 378 W HN 0.414 nan 8.180 nan 0.000 0.556 379 M N 0.338 119.992 119.600 0.090 0.000 2.581 379 M HA -0.021 4.459 4.480 -0.001 0.000 0.224 379 M C 0.138 176.432 176.300 -0.009 0.000 1.171 379 M CA 1.040 56.370 55.300 0.049 0.000 0.993 379 M CB 0.095 32.719 32.600 0.040 0.000 1.685 379 M HN -0.189 nan 8.290 nan 0.000 0.479 380 D N -0.647 119.714 120.400 -0.064 0.000 3.091 380 D HA -0.049 4.590 4.640 -0.001 0.000 0.306 380 D C 0.641 176.843 176.300 -0.163 0.000 1.660 380 D CA 0.166 54.112 54.000 -0.091 0.000 0.795 380 D CB 0.049 40.800 40.800 -0.081 0.000 1.331 380 D HN 0.279 nan 8.370 nan 0.000 0.490 381 D N 0.810 121.094 120.400 -0.194 0.000 2.569 381 D HA -0.312 4.328 4.640 -0.001 0.000 0.191 381 D C 1.238 177.361 176.300 -0.296 0.000 1.042 381 D CA 2.718 56.537 54.000 -0.303 0.000 0.873 381 D CB -0.609 40.099 40.800 -0.153 0.000 0.946 381 D HN 0.363 nan 8.370 nan 0.000 0.467 382 N N -0.411 118.179 118.700 -0.184 0.000 2.313 382 N HA -0.003 4.737 4.740 -0.001 0.000 0.207 382 N C 0.405 175.825 175.510 -0.149 0.000 1.141 382 N CA 0.235 53.188 53.050 -0.162 0.000 0.830 382 N CB -0.610 37.818 38.487 -0.100 0.000 1.008 382 N HN 0.294 nan 8.380 nan 0.000 0.481 383 N N 0.851 119.454 118.700 -0.160 0.000 2.416 383 N HA 0.152 4.891 4.740 -0.001 0.000 0.265 383 N C 1.487 176.923 175.510 -0.123 0.000 1.195 383 N CA 0.316 53.294 53.050 -0.121 0.000 0.943 383 N CB 0.817 39.244 38.487 -0.101 0.000 1.115 383 N HN 0.263 nan 8.380 nan 0.000 0.481 384 G N 4.578 113.314 108.800 -0.106 0.000 2.442 384 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.219 384 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.219 384 G C 1.494 176.336 174.900 -0.097 0.000 1.141 384 G CA 0.389 45.421 45.100 -0.113 0.000 0.763 384 G HN 0.641 nan 8.290 nan 0.000 0.554 385 I N 0.730 121.260 120.570 -0.068 0.000 2.202 385 I HA -0.073 4.097 4.170 -0.001 0.000 0.242 385 I C 2.642 178.760 176.117 0.003 0.000 1.091 385 I CA 1.224 62.506 61.300 -0.030 0.000 1.368 385 I CB -0.788 37.207 38.000 -0.009 0.000 1.058 385 I HN 0.221 nan 8.210 nan 0.000 0.410 386 K N 0.702 121.089 120.400 -0.022 0.000 2.152 386 K HA -0.184 4.135 4.320 -0.001 0.000 0.206 386 K C 1.728 178.334 176.600 0.009 0.000 1.048 386 K CA 1.588 57.868 56.287 -0.012 0.000 0.933 386 K CB -0.276 32.182 32.500 -0.070 0.000 0.721 386 K HN 0.489 nan 8.250 nan 0.000 0.447 387 N N 0.345 119.025 118.700 -0.035 0.000 2.270 387 N HA -0.118 4.622 4.740 -0.001 0.000 0.181 387 N C 1.915 177.571 175.510 0.243 0.000 1.016 387 N CA 0.281 53.366 53.050 0.059 0.000 0.870 387 N CB 0.030 38.491 38.487 -0.044 0.000 0.979 387 N HN 0.146 nan 8.380 nan 0.000 0.431 388 R N 1.407 121.972 120.500 0.108 0.000 2.070 388 R HA -0.136 4.203 4.340 -0.001 0.000 0.233 388 R C 0.907 177.391 176.300 0.308 0.000 1.137 388 R CA 1.720 57.913 56.100 0.155 0.000 0.945 388 R CB -0.042 30.249 30.300 -0.014 0.000 0.845 388 R HN 0.142 nan 8.270 nan 0.000 0.430 389 D N -0.492 120.050 120.400 0.237 0.000 2.117 389 D HA -0.088 4.552 4.640 -0.001 0.000 0.197 389 D C 1.752 178.215 176.300 0.270 0.000 0.987 389 D CA 1.503 55.656 54.000 0.255 0.000 0.829 389 D CB -0.593 40.326 40.800 0.199 0.000 0.961 389 D HN 0.513 nan 8.370 nan 0.000 0.460 390 G N 0.643 109.617 108.800 0.290 0.000 2.442 390 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.219 390 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.219 390 G C 1.582 176.641 174.900 0.264 0.000 1.141 390 G CA 0.324 45.641 45.100 0.362 0.000 0.763 390 G HN 0.196 nan 8.290 nan 0.000 0.554 391 L N 0.853 122.234 121.223 0.263 0.000 2.093 391 L HA 0.020 4.359 4.340 -0.001 0.000 0.208 391 L C 2.270 179.192 176.870 0.086 0.000 1.085 391 L CA 1.752 56.650 54.840 0.096 0.000 0.755 391 L CB -0.357 41.823 42.059 0.201 0.000 0.904 391 L HN 0.258 nan 8.230 nan 0.000 0.435 392 D N -0.919 119.595 120.400 0.190 0.000 2.218 392 D HA -0.193 4.446 4.640 -0.001 0.000 0.204 392 D C 0.934 177.321 176.300 0.145 0.000 0.976 392 D CA 1.071 55.178 54.000 0.178 0.000 0.853 392 D CB 0.280 41.242 40.800 0.270 0.000 0.939 392 D HN 0.389 nan 8.370 nan 0.000 0.481 393 D N -0.232 120.257 120.400 0.149 0.000 2.327 393 D HA 0.072 4.712 4.640 -0.001 0.000 0.205 393 D C 2.198 178.500 176.300 0.002 0.000 0.989 393 D CA -0.051 54.050 54.000 0.168 0.000 0.873 393 D CB 0.282 41.291 40.800 0.349 0.000 0.955 393 D HN 0.360 nan 8.370 nan 0.000 0.515 394 I N 0.395 120.844 120.570 -0.201 0.000 2.163 394 I HA -0.205 3.964 4.170 -0.001 0.000 0.240 394 I C 2.281 178.310 176.117 -0.147 0.000 1.081 394 I CA 0.658 61.769 61.300 -0.315 0.000 1.353 394 I CB -0.071 37.718 38.000 -0.351 0.000 1.054 394 I HN -0.130 nan 8.210 nan 0.000 0.407 395 V N 1.072 120.929 119.914 -0.096 0.000 2.295 395 V HA -0.229 3.890 4.120 -0.001 0.000 0.246 395 V C 2.584 178.614 176.094 -0.107 0.000 1.049 395 V CA 2.228 64.478 62.300 -0.082 0.000 1.024 395 V CB -1.596 30.223 31.823 -0.007 0.000 0.648 395 V HN 0.578 nan 8.190 nan 0.000 0.447 396 G N -0.098 108.695 108.800 -0.012 0.000 2.433 396 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.216 396 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.216 396 G C 1.218 176.073 174.900 -0.075 0.000 1.186 396 G CA 1.093 46.201 45.100 0.012 0.000 0.779 396 G HN 0.517 nan 8.290 nan 0.000 0.543 397 D N -0.349 120.021 120.400 -0.049 0.000 2.117 397 D HA -0.073 4.567 4.640 -0.001 0.000 0.198 397 D C 2.062 178.036 176.300 -0.544 0.000 0.982 397 D CA 1.269 55.209 54.000 -0.099 0.000 0.828 397 D CB -0.475 40.479 40.800 0.257 0.000 0.967 397 D HN 0.451 nan 8.370 nan 0.000 0.464 398 H N 0.887 119.361 119.070 -0.992 0.000 2.326 398 H HA 0.053 4.608 4.556 -0.001 0.000 0.301 398 H C 1.392 176.274 175.328 -0.744 0.000 1.081 398 H CA 1.688 56.893 56.048 -1.405 0.000 1.334 398 H CB 0.072 28.950 29.762 -1.472 0.000 1.385 398 H HN 0.021 nan 8.280 nan 0.000 0.504 399 N N -0.740 117.530 118.700 -0.716 0.000 2.392 399 N HA 0.012 4.751 4.740 -0.001 0.000 0.177 399 N C 0.831 176.071 175.510 -0.451 0.000 1.066 399 N CA 0.942 53.535 53.050 -0.762 0.000 0.895 399 N CB 1.451 39.135 38.487 -1.339 0.000 0.988 399 N HN 0.264 nan 8.380 nan 0.000 0.457 400 V N 0.286 120.024 119.914 -0.292 0.000 3.177 400 V HA 0.136 4.256 4.120 -0.001 0.000 0.219 400 V C 2.010 178.056 176.094 -0.080 0.000 1.344 400 V CA -0.055 62.193 62.300 -0.088 0.000 1.324 400 V CB 0.277 32.143 31.823 0.072 0.000 1.165 400 V HN -0.041 nan 8.190 nan 0.000 0.510 401 I N 0.703 121.240 120.570 -0.056 0.000 2.133 401 I HA -0.248 3.922 4.170 -0.001 0.000 0.238 401 I C 2.593 178.683 176.117 -0.045 0.000 1.074 401 I CA 1.865 63.153 61.300 -0.019 0.000 1.342 401 I CB -0.580 37.451 38.000 0.052 0.000 1.053 401 I HN 0.372 nan 8.210 nan 0.000 0.404 402 c N 1.262 119.816 118.600 -0.076 0.000 2.429 402 c HA -0.058 4.512 4.570 -0.001 0.000 0.277 402 c C 0.353 174.410 174.090 -0.055 0.000 1.262 402 c CA 0.752 57.062 56.329 -0.031 0.000 1.733 402 c CB -2.176 40.346 42.510 0.021 0.000 2.010 402 c HN 0.434 nan 8.230 nan 0.000 0.483 403 P HA -0.100 nan 4.420 nan 0.000 0.217 403 P C 1.716 178.989 177.300 -0.045 0.000 1.150 403 P CA 1.176 64.196 63.100 -0.134 0.000 0.832 403 P CB -0.242 31.284 31.700 -0.290 0.000 0.787 404 L N -1.301 119.873 121.223 -0.082 0.000 2.017 404 L HA -0.128 4.212 4.340 -0.001 0.000 0.208 404 L C 2.350 179.215 176.870 -0.009 0.000 1.073 404 L CA 1.853 56.657 54.840 -0.060 0.000 0.745 404 L CB -0.713 41.293 42.059 -0.088 0.000 0.894 404 L HN -0.184 nan 8.230 nan 0.000 0.432 405 M N -1.184 118.405 119.600 -0.018 0.000 2.279 405 M HA -0.222 4.258 4.480 -0.001 0.000 0.264 405 M C 2.223 178.541 176.300 0.029 0.000 1.062 405 M CA 1.531 56.816 55.300 -0.024 0.000 1.099 405 M CB -1.608 31.006 32.600 0.024 0.000 1.394 405 M HN 0.442 nan 8.290 nan 0.000 0.426 406 H N -0.017 119.044 119.070 -0.015 0.000 2.326 406 H HA -0.159 4.396 4.556 -0.001 0.000 0.301 406 H C 1.822 177.154 175.328 0.006 0.000 1.081 406 H CA 1.985 58.032 56.048 -0.001 0.000 1.334 406 H CB -0.366 29.389 29.762 -0.012 0.000 1.385 406 H HN 0.231 nan 8.280 nan 0.000 0.504 407 F N 0.321 120.177 119.950 -0.156 0.000 2.095 407 F HA -0.219 4.307 4.527 -0.001 0.000 0.298 407 F C 2.332 177.979 175.800 -0.256 0.000 1.104 407 F CA 1.615 59.473 58.000 -0.237 0.000 1.232 407 F CB -0.818 38.051 39.000 -0.218 0.000 0.987 407 F HN 0.061 nan 8.300 nan 0.000 0.475 408 V N 1.094 120.908 119.914 -0.166 0.000 2.282 408 V HA -0.380 3.740 4.120 -0.001 0.000 0.249 408 V C 2.317 178.233 176.094 -0.297 0.000 1.057 408 V CA 2.359 64.449 62.300 -0.351 0.000 1.032 408 V CB -0.854 30.650 31.823 -0.530 0.000 0.645 408 V HN 0.432 nan 8.190 nan 0.000 0.447 409 N N -0.042 118.534 118.700 -0.207 0.000 2.166 409 N HA -0.141 4.598 4.740 -0.001 0.000 0.186 409 N C 1.800 177.198 175.510 -0.186 0.000 1.019 409 N CA 1.170 54.174 53.050 -0.077 0.000 0.856 409 N CB -0.160 38.316 38.487 -0.018 0.000 0.993 409 N HN 0.537 nan 8.380 nan 0.000 0.426 410 K N -0.222 119.974 120.400 -0.339 0.000 2.296 410 K HA -0.095 4.224 4.320 -0.001 0.000 0.200 410 K C 1.683 178.060 176.600 -0.372 0.000 1.048 410 K CA 0.413 56.483 56.287 -0.363 0.000 0.966 410 K CB -0.082 32.187 32.500 -0.385 0.000 0.754 410 K HN 0.240 nan 8.250 nan 0.000 0.466 411 Y N 2.147 122.074 120.300 -0.621 0.000 2.243 411 Y HA -0.138 4.411 4.550 -0.001 0.000 0.293 411 Y C 2.198 177.950 175.900 -0.247 0.000 1.124 411 Y CA 1.405 59.129 58.100 -0.627 0.000 1.159 411 Y CB -0.195 37.676 38.460 -0.981 0.000 1.008 411 Y HN -0.074 nan 8.280 nan 0.000 0.527 412 T N 0.556 115.077 114.554 -0.055 0.000 2.869 412 T HA -0.213 4.137 4.350 -0.001 0.000 0.270 412 T C 1.636 176.310 174.700 -0.042 0.000 1.082 412 T CA 1.774 63.889 62.100 0.026 0.000 1.123 412 T CB -0.213 68.778 68.868 0.204 0.000 0.856 412 T HN 0.311 nan 8.240 nan 0.000 0.499 413 K N 0.097 120.394 120.400 -0.172 0.000 2.147 413 K HA -0.001 4.318 4.320 -0.001 0.000 0.205 413 K C 0.890 177.583 176.600 0.156 0.000 1.049 413 K CA 1.032 57.238 56.287 -0.135 0.000 0.936 413 K CB 0.024 32.269 32.500 -0.427 0.000 0.722 413 K HN 0.340 nan 8.250 nan 0.000 0.446 414 F N -0.843 119.051 119.950 -0.092 0.000 2.746 414 F HA 0.320 4.847 4.527 -0.001 0.000 0.320 414 F C 1.133 176.791 175.800 -0.237 0.000 1.097 414 F CA -1.018 56.889 58.000 -0.155 0.000 1.195 414 F CB -0.374 38.495 39.000 -0.218 0.000 1.056 414 F HN -0.165 nan 8.300 nan 0.000 0.562 415 G N -0.049 108.610 108.800 -0.234 0.000 2.563 415 G HA2 0.076 4.035 3.960 -0.001 0.000 0.283 415 G HA3 0.076 4.035 3.960 -0.001 0.000 0.283 415 G C 0.177 175.064 174.900 -0.021 0.000 1.309 415 G CA -0.486 44.423 45.100 -0.319 0.000 1.022 415 G HN 0.249 nan 8.290 nan 0.000 0.501 416 N N -0.099 118.649 118.700 0.080 0.000 2.546 416 N HA 0.385 5.124 4.740 -0.001 0.000 0.286 416 N C 0.192 175.770 175.510 0.114 0.000 1.259 416 N CA 0.388 53.487 53.050 0.082 0.000 0.939 416 N CB -0.008 38.522 38.487 0.071 0.000 1.243 416 N HN 0.949 nan 8.380 nan 0.000 0.511 417 G N 0.328 109.193 108.800 0.108 0.000 2.535 417 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.662 417 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.662 417 G C -1.216 173.703 174.900 0.033 0.000 1.417 417 G CA -0.905 44.219 45.100 0.039 0.000 0.866 417 G HN 0.069 nan 8.290 nan 0.000 0.647 418 T N 1.201 115.619 114.554 -0.228 0.000 2.971 418 T HA 0.638 4.987 4.350 -0.001 0.000 0.304 418 T C -1.341 173.098 174.700 -0.435 0.000 1.038 418 T CA -0.436 61.581 62.100 -0.139 0.000 1.007 418 T CB 1.307 70.213 68.868 0.063 0.000 1.055 418 T HN 0.543 nan 8.240 nan 0.000 0.451 419 Y N 2.088 122.346 120.300 -0.070 0.000 2.376 419 Y HA 0.741 5.290 4.550 -0.001 0.000 0.340 419 Y C -0.484 175.509 175.900 0.153 0.000 0.965 419 Y CA -1.222 56.791 58.100 -0.145 0.000 1.078 419 Y CB 1.613 39.545 38.460 -0.881 0.000 1.193 419 Y HN 0.433 nan 8.280 nan 0.000 0.452 420 L N 5.562 127.191 121.223 0.678 0.000 2.365 420 L HA 0.616 4.955 4.340 -0.001 0.000 0.273 420 L C -1.358 175.960 176.870 0.746 0.000 1.000 420 L CA -1.181 53.978 54.840 0.533 0.000 0.819 420 L CB 0.979 43.226 42.059 0.314 0.000 1.284 420 L HN 0.556 nan 8.230 nan 0.000 0.418 421 Y N 3.016 123.611 120.300 0.492 0.000 2.602 421 Y HA 0.765 5.314 4.550 -0.001 0.000 0.342 421 Y C -1.675 174.462 175.900 0.395 0.000 1.029 421 Y CA -1.858 56.462 58.100 0.368 0.000 1.080 421 Y CB 1.396 40.025 38.460 0.282 0.000 1.284 421 Y HN 0.519 nan 8.280 nan 0.000 0.485 422 F N 3.840 124.003 119.950 0.354 0.000 2.610 422 F HA 0.458 4.985 4.527 -0.001 0.000 0.355 422 F C -1.932 174.106 175.800 0.396 0.000 1.140 422 F CA -1.930 56.203 58.000 0.221 0.000 1.037 422 F CB 0.703 39.806 39.000 0.172 0.000 1.287 422 F HN 0.560 nan 8.300 nan 0.000 0.457 423 F N 7.785 127.744 119.950 0.015 0.000 2.421 423 F HA 0.342 4.868 4.527 -0.001 0.000 0.358 423 F C -0.028 175.613 175.800 -0.266 0.000 1.115 423 F CA -0.349 57.659 58.000 0.013 0.000 1.160 423 F CB 0.586 39.691 39.000 0.175 0.000 1.123 423 F HN 0.526 nan 8.300 nan 0.000 0.508 424 N N 3.725 122.029 118.700 -0.660 0.000 2.646 424 N HA 0.125 4.865 4.740 -0.001 0.000 0.303 424 N C -1.530 173.708 175.510 -0.454 0.000 1.921 424 N CA -0.560 52.197 53.050 -0.490 0.000 0.872 424 N CB -0.394 37.935 38.487 -0.264 0.000 1.327 424 N HN 0.679 nan 8.380 nan 0.000 0.492 425 H N -0.167 118.347 119.070 -0.927 0.000 2.538 425 H HA 0.546 5.101 4.556 -0.001 0.000 0.353 425 H C -0.958 174.186 175.328 -0.305 0.000 1.109 425 H CA -0.686 55.002 56.048 -0.601 0.000 1.192 425 H CB 1.552 30.837 29.762 -0.795 0.000 1.555 425 H HN 0.202 nan 8.280 nan 0.000 0.518 426 R N 3.888 123.963 120.500 -0.707 0.000 2.255 426 R HA 0.608 4.947 4.340 -0.001 0.000 0.326 426 R C -0.646 175.357 176.300 -0.495 0.000 0.986 426 R CA -0.665 55.205 56.100 -0.383 0.000 0.847 426 R CB 0.631 30.806 30.300 -0.208 0.000 1.111 426 R HN 0.802 nan 8.270 nan 0.000 0.452 427 A N 2.756 125.575 122.820 -0.002 0.000 2.531 427 A HA 0.020 4.339 4.320 -0.001 0.000 0.236 427 A C 1.248 178.888 177.584 0.093 0.000 1.062 427 A CA 0.451 52.658 52.037 0.283 0.000 0.760 427 A CB 0.316 19.634 19.000 0.531 0.000 0.995 427 A HN 1.024 nan 8.150 nan 0.000 0.501 428 S N 1.484 117.271 115.700 0.145 0.000 2.419 428 S HA -0.175 4.295 4.470 -0.001 0.000 0.233 428 S C 0.917 175.502 174.600 -0.025 0.000 1.016 428 S CA 1.193 59.423 58.200 0.049 0.000 0.974 428 S CB -0.464 62.790 63.200 0.090 0.000 0.786 428 S HN 0.921 nan 8.310 nan 0.000 0.492 429 N N 0.935 119.579 118.700 -0.094 0.000 2.251 429 N HA 0.187 4.927 4.740 -0.001 0.000 0.217 429 N C -0.076 175.366 175.510 -0.114 0.000 1.124 429 N CA -0.400 52.548 53.050 -0.171 0.000 0.843 429 N CB -0.375 37.886 38.487 -0.376 0.000 1.024 429 N HN 0.240 nan 8.380 nan 0.000 0.501 430 L N 2.090 123.292 121.223 -0.035 0.000 2.540 430 L HA 0.005 4.345 4.340 -0.001 0.000 0.276 430 L C 1.338 178.187 176.870 -0.036 0.000 1.212 430 L CA 0.355 55.193 54.840 -0.004 0.000 0.893 430 L CB 0.963 43.023 42.059 0.002 0.000 1.138 430 L HN 0.227 nan 8.230 nan 0.000 0.491 431 V N 1.580 121.450 119.914 -0.074 0.000 3.649 431 V HA 0.116 4.236 4.120 -0.001 0.000 0.275 431 V C 0.521 176.578 176.094 -0.061 0.000 1.281 431 V CA -0.553 61.684 62.300 -0.104 0.000 1.143 431 V CB -0.835 30.860 31.823 -0.212 0.000 0.892 431 V HN 0.627 nan 8.190 nan 0.000 0.441 432 W N 1.450 122.731 121.300 -0.032 0.000 2.283 432 W HA 0.584 5.244 4.660 -0.001 0.000 0.341 432 W C -1.900 174.525 176.519 -0.156 0.000 1.206 432 W CA -2.200 55.102 57.345 -0.073 0.000 1.294 432 W CB 0.114 29.437 29.460 -0.229 0.000 1.154 432 W HN -0.050 nan 8.180 nan 0.000 0.613 433 P HA -0.051 nan 4.420 nan 0.000 0.272 433 P C 0.503 177.732 177.300 -0.120 0.000 1.223 433 P CA 0.091 63.165 63.100 -0.043 0.000 0.784 433 P CB 1.117 32.805 31.700 -0.020 0.000 0.923 434 E N 2.117 122.317 120.200 -0.001 0.000 2.209 434 E HA -0.141 4.208 4.350 -0.001 0.000 0.196 434 E C 1.518 178.151 176.600 0.054 0.000 0.993 434 E CA 1.658 58.072 56.400 0.023 0.000 0.819 434 E CB -0.715 29.029 29.700 0.073 0.000 0.745 434 E HN 0.725 nan 8.360 nan 0.000 0.477 435 W N -0.786 120.567 121.300 0.088 0.000 2.425 435 W HA -0.028 4.631 4.660 -0.001 0.000 0.277 435 W C 1.773 178.359 176.519 0.111 0.000 1.231 435 W CA 0.783 58.190 57.345 0.103 0.000 1.248 435 W CB -0.829 28.704 29.460 0.122 0.000 1.117 435 W HN 0.275 nan 8.180 nan 0.000 0.568 436 M N 1.380 120.591 119.600 -0.649 0.000 2.476 436 M HA 0.107 4.586 4.480 -0.001 0.000 0.262 436 M C 1.760 177.936 176.300 -0.207 0.000 1.079 436 M CA 1.703 56.636 55.300 -0.612 0.000 1.104 436 M CB -0.785 31.327 32.600 -0.813 0.000 1.409 436 M HN 0.171 nan 8.290 nan 0.000 0.467 437 G N 0.432 109.164 108.800 -0.114 0.000 2.574 437 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.286 437 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.286 437 G C -0.208 174.655 174.900 -0.061 0.000 1.212 437 G CA -0.248 44.826 45.100 -0.043 0.000 0.979 437 G HN 0.208 nan 8.290 nan 0.000 0.557 438 V N 1.825 121.730 119.914 -0.015 0.000 2.338 438 V HA 0.408 4.527 4.120 -0.001 0.000 0.255 438 V C 1.046 177.192 176.094 0.086 0.000 1.082 438 V CA 0.038 62.362 62.300 0.040 0.000 0.951 438 V CB -0.009 31.818 31.823 0.008 0.000 1.102 438 V HN 0.533 nan 8.190 nan 0.000 0.489 439 I N 3.080 123.686 120.570 0.059 0.000 2.720 439 I HA 0.192 4.362 4.170 -0.001 0.000 0.287 439 I C 0.832 177.108 176.117 0.264 0.000 1.090 439 I CA -0.548 60.789 61.300 0.063 0.000 1.384 439 I CB 0.376 38.227 38.000 -0.248 0.000 1.420 439 I HN 0.590 nan 8.210 nan 0.000 0.575 440 H N 3.814 122.938 119.070 0.090 0.000 3.070 440 H HA 0.234 4.789 4.556 -0.001 0.000 0.313 440 H C 0.960 176.271 175.328 -0.029 0.000 0.997 440 H CA 1.192 57.288 56.048 0.079 0.000 1.438 440 H CB 0.244 30.084 29.762 0.130 0.000 1.455 440 H HN 0.759 nan 8.280 nan 0.000 0.575 441 G N 3.425 112.081 108.800 -0.240 0.000 2.234 441 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.235 441 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.235 441 G C 0.656 175.452 174.900 -0.172 0.000 0.997 441 G CA 0.333 45.243 45.100 -0.317 0.000 0.623 441 G HN 0.630 nan 8.290 nan 0.000 0.514 442 Y N 1.829 122.187 120.300 0.096 0.000 2.529 442 Y HA 0.167 4.717 4.550 -0.001 0.000 0.290 442 Y C 2.491 178.486 175.900 0.159 0.000 1.177 442 Y CA 1.323 59.544 58.100 0.203 0.000 1.305 442 Y CB 0.343 38.940 38.460 0.227 0.000 1.047 442 Y HN 0.524 nan 8.280 nan 0.000 0.522 443 E N 0.235 120.372 120.200 -0.106 0.000 2.340 443 E HA -0.067 4.282 4.350 -0.001 0.000 0.194 443 E C 1.637 178.113 176.600 -0.207 0.000 0.996 443 E CA 0.705 56.762 56.400 -0.571 0.000 0.869 443 E CB -0.632 28.425 29.700 -1.072 0.000 0.835 443 E HN 0.530 nan 8.360 nan 0.000 0.493 444 I N 1.561 122.086 120.570 -0.075 0.000 2.423 444 I HA -0.253 3.916 4.170 -0.001 0.000 0.254 444 I C 2.020 178.100 176.117 -0.063 0.000 1.151 444 I CA 1.517 62.800 61.300 -0.028 0.000 1.421 444 I CB -0.393 37.638 38.000 0.051 0.000 1.079 444 I HN 0.105 nan 8.210 nan 0.000 0.431 445 E N 0.647 120.809 120.200 -0.063 0.000 2.150 445 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 445 E C 2.036 178.434 176.600 -0.337 0.000 0.985 445 E CA 1.194 57.479 56.400 -0.191 0.000 0.814 445 E CB -0.135 29.476 29.700 -0.148 0.000 0.752 445 E HN 0.423 nan 8.360 nan 0.000 0.466 446 F N 0.497 120.315 119.950 -0.219 0.000 2.098 446 F HA -0.138 4.388 4.527 -0.001 0.000 0.294 446 F C 2.366 177.985 175.800 -0.300 0.000 1.107 446 F CA 0.663 58.507 58.000 -0.260 0.000 1.234 446 F CB -0.624 38.239 39.000 -0.229 0.000 1.002 446 F HN -0.170 nan 8.300 nan 0.000 0.472 447 V N -0.913 118.886 119.914 -0.191 0.000 2.469 447 V HA -0.293 3.826 4.120 -0.001 0.000 0.251 447 V C 1.638 177.588 176.094 -0.241 0.000 1.064 447 V CA 1.605 63.691 62.300 -0.357 0.000 1.066 447 V CB -0.739 30.829 31.823 -0.424 0.000 0.667 447 V HN 0.215 nan 8.190 nan 0.000 0.461 448 F N 0.219 120.002 119.950 -0.279 0.000 2.693 448 F HA 0.435 4.961 4.527 -0.001 0.000 0.303 448 F C 1.782 177.444 175.800 -0.230 0.000 1.097 448 F CA 0.424 58.289 58.000 -0.225 0.000 1.330 448 F CB -0.190 38.649 39.000 -0.268 0.000 1.067 448 F HN 0.240 nan 8.300 nan 0.000 0.565 449 G N 0.547 109.228 108.800 -0.199 0.000 2.198 449 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.260 449 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.260 449 G C 1.201 175.744 174.900 -0.596 0.000 1.025 449 G CA 0.488 45.393 45.100 -0.325 0.000 0.769 449 G HN 0.400 nan 8.290 nan 0.000 0.507 450 L N -0.431 120.419 121.223 -0.623 0.000 2.131 450 L HA -0.055 4.284 4.340 -0.001 0.000 0.210 450 L C 0.222 176.649 176.870 -0.738 0.000 1.092 450 L CA 1.803 56.226 54.840 -0.695 0.000 0.759 450 L CB -1.477 40.307 42.059 -0.459 0.000 0.903 450 L HN 0.181 nan 8.230 nan 0.000 0.435 451 P HA -0.184 nan 4.420 nan 0.000 0.222 451 P C 1.843 178.869 177.300 -0.456 0.000 1.142 451 P CA 1.240 63.748 63.100 -0.988 0.000 0.788 451 P CB -0.025 31.022 31.700 -1.090 0.000 0.767 452 L N -1.930 119.033 121.223 -0.433 0.000 2.291 452 L HA -0.023 4.316 4.340 -0.001 0.000 0.214 452 L C 0.653 177.397 176.870 -0.209 0.000 1.120 452 L CA 0.563 55.245 54.840 -0.263 0.000 0.799 452 L CB -0.555 41.378 42.059 -0.209 0.000 0.925 452 L HN -0.190 nan 8.230 nan 0.000 0.446 453 V N 1.986 121.724 119.914 -0.294 0.000 2.381 453 V HA 0.015 4.134 4.120 -0.001 0.000 0.257 453 V C 1.342 177.392 176.094 -0.074 0.000 1.057 453 V CA -0.165 62.032 62.300 -0.171 0.000 1.013 453 V CB 0.623 32.308 31.823 -0.230 0.000 1.069 453 V HN 0.266 nan 8.190 nan 0.000 0.484 454 K N 3.784 124.159 120.400 -0.042 0.000 2.147 454 K HA -0.175 4.144 4.320 -0.001 0.000 0.205 454 K C 2.186 178.782 176.600 -0.006 0.000 1.049 454 K CA 1.466 57.746 56.287 -0.012 0.000 0.936 454 K CB -0.238 32.255 32.500 -0.012 0.000 0.722 454 K HN 0.844 nan 8.250 nan 0.000 0.446 455 E N 1.562 121.750 120.200 -0.020 0.000 2.333 455 E HA -0.071 4.278 4.350 -0.001 0.000 0.198 455 E C 1.920 178.497 176.600 -0.038 0.000 1.007 455 E CA 0.818 57.201 56.400 -0.028 0.000 0.845 455 E CB -0.785 28.896 29.700 -0.032 0.000 0.766 455 E HN 0.336 nan 8.360 nan 0.000 0.507 456 L N -0.016 121.198 121.223 -0.014 0.000 2.591 456 L HA 0.109 4.448 4.340 -0.001 0.000 0.228 456 L C 0.169 176.959 176.870 -0.134 0.000 1.133 456 L CA 0.097 54.914 54.840 -0.038 0.000 0.880 456 L CB -0.293 41.815 42.059 0.081 0.000 1.033 456 L HN 0.282 nan 8.230 nan 0.000 0.450 457 N N -0.656 118.012 118.700 -0.054 0.000 2.780 457 N HA -0.201 4.539 4.740 -0.001 0.000 0.247 457 N C -0.833 174.610 175.510 -0.112 0.000 1.076 457 N CA 0.702 53.698 53.050 -0.090 0.000 0.688 457 N CB -1.477 36.924 38.487 -0.143 0.000 0.957 457 N HN 0.298 nan 8.380 nan 0.000 0.551 458 Y N 0.378 120.649 120.300 -0.048 0.000 2.488 458 Y HA 0.373 4.922 4.550 -0.001 0.000 0.325 458 Y C 1.627 177.531 175.900 0.007 0.000 1.204 458 Y CA -0.370 57.721 58.100 -0.015 0.000 1.229 458 Y CB 0.762 39.186 38.460 -0.059 0.000 1.274 458 Y HN 0.054 nan 8.280 nan 0.000 0.493 459 T N -1.822 112.876 114.554 0.239 0.000 2.828 459 T HA 0.391 4.741 4.350 -0.001 0.000 0.290 459 T C 1.180 175.949 174.700 0.114 0.000 1.019 459 T CA -0.222 61.965 62.100 0.144 0.000 1.031 459 T CB 1.221 70.175 68.868 0.143 0.000 1.001 459 T HN 0.782 nan 8.240 nan 0.000 0.531 460 A N 0.625 123.487 122.820 0.070 0.000 1.933 460 A HA -0.048 4.271 4.320 -0.001 0.000 0.218 460 A C 2.350 179.959 177.584 0.041 0.000 1.175 460 A CA 1.450 53.512 52.037 0.042 0.000 0.628 460 A CB -1.123 17.894 19.000 0.029 0.000 0.814 460 A HN 0.865 nan 8.150 nan 0.000 0.444 461 E N -0.070 120.166 120.200 0.059 0.000 2.204 461 E HA -0.186 4.163 4.350 -0.001 0.000 0.195 461 E C 1.717 178.348 176.600 0.052 0.000 0.990 461 E CA 1.331 57.760 56.400 0.049 0.000 0.821 461 E CB -0.475 29.260 29.700 0.057 0.000 0.750 461 E HN 0.895 nan 8.360 nan 0.000 0.477 462 E N -0.051 120.212 120.200 0.105 0.000 2.170 462 E HA -0.085 4.264 4.350 -0.001 0.000 0.191 462 E C 2.281 178.911 176.600 0.051 0.000 0.981 462 E CA 0.688 57.189 56.400 0.168 0.000 0.830 462 E CB -0.042 29.859 29.700 0.335 0.000 0.775 462 E HN 0.435 nan 8.360 nan 0.000 0.470 463 E N 0.933 121.123 120.200 -0.018 0.000 2.077 463 E HA -0.222 4.127 4.350 -0.001 0.000 0.193 463 E C 2.036 178.606 176.600 -0.049 0.000 0.989 463 E CA 0.994 57.342 56.400 -0.086 0.000 0.800 463 E CB -0.022 29.640 29.700 -0.064 0.000 0.746 463 E HN 0.208 nan 8.360 nan 0.000 0.452 464 A N 1.212 124.024 122.820 -0.014 0.000 1.883 464 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 464 A C 2.151 179.733 177.584 -0.003 0.000 1.186 464 A CA 1.398 53.427 52.037 -0.014 0.000 0.624 464 A CB -0.755 18.242 19.000 -0.005 0.000 0.822 464 A HN 0.368 nan 8.150 nan 0.000 0.444 465 L N 0.959 122.201 121.223 0.030 0.000 2.012 465 L HA -0.180 4.159 4.340 -0.001 0.000 0.210 465 L C 2.794 179.739 176.870 0.126 0.000 1.073 465 L CA 2.922 57.801 54.840 0.066 0.000 0.748 465 L CB -0.669 41.414 42.059 0.039 0.000 0.891 465 L HN 0.522 nan 8.230 nan 0.000 0.431 466 S N -1.143 114.642 115.700 0.140 0.000 2.423 466 S HA -0.165 4.304 4.470 -0.001 0.000 0.231 466 S C 2.047 176.628 174.600 -0.033 0.000 1.014 466 S CA 0.799 59.029 58.200 0.049 0.000 0.965 466 S CB -0.620 62.469 63.200 -0.184 0.000 0.785 466 S HN 0.504 nan 8.310 nan 0.000 0.495 467 R N 1.273 121.748 120.500 -0.043 0.000 2.115 467 R HA 0.114 4.454 4.340 -0.001 0.000 0.230 467 R C 2.686 178.959 176.300 -0.046 0.000 1.111 467 R CA 1.195 57.266 56.100 -0.047 0.000 0.976 467 R CB -0.227 30.037 30.300 -0.060 0.000 0.870 467 R HN 0.480 nan 8.270 nan 0.000 0.445 468 R N 0.442 120.901 120.500 -0.068 0.000 2.075 468 R HA -0.021 4.318 4.340 -0.001 0.000 0.232 468 R C 2.273 178.477 176.300 -0.160 0.000 1.126 468 R CA 1.036 57.024 56.100 -0.186 0.000 0.963 468 R CB -0.276 29.908 30.300 -0.192 0.000 0.858 468 R HN 0.201 nan 8.270 nan 0.000 0.435 469 I N 1.139 121.722 120.570 0.022 0.000 2.142 469 I HA -0.263 3.906 4.170 -0.001 0.000 0.240 469 I C 2.532 178.713 176.117 0.107 0.000 1.078 469 I CA 1.560 62.913 61.300 0.089 0.000 1.343 469 I CB -0.636 37.261 38.000 -0.173 0.000 1.046 469 I HN 0.201 nan 8.210 nan 0.000 0.405 470 M N -0.420 119.181 119.600 0.002 0.000 2.202 470 M HA -0.245 4.235 4.480 -0.001 0.000 0.262 470 M C 2.376 178.791 176.300 0.192 0.000 1.063 470 M CA 1.674 57.000 55.300 0.044 0.000 1.097 470 M CB -0.708 31.885 32.600 -0.011 0.000 1.382 470 M HN 0.273 nan 8.290 nan 0.000 0.413 471 H N -0.404 118.697 119.070 0.050 0.000 2.333 471 H HA -0.117 4.438 4.556 -0.001 0.000 0.302 471 H C 1.557 177.010 175.328 0.208 0.000 1.075 471 H CA 1.862 57.943 56.048 0.055 0.000 1.348 471 H CB -0.109 29.617 29.762 -0.059 0.000 1.393 471 H HN 0.242 nan 8.280 nan 0.000 0.509 472 Y N -0.668 119.824 120.300 0.319 0.000 2.165 472 Y HA -0.280 4.270 4.550 -0.001 0.000 0.286 472 Y C 2.559 178.629 175.900 0.284 0.000 1.155 472 Y CA 1.170 59.466 58.100 0.328 0.000 1.164 472 Y CB -0.942 37.926 38.460 0.679 0.000 0.978 472 Y HN 0.391 nan 8.280 nan 0.000 0.513 473 W N -0.655 120.764 121.300 0.200 0.000 2.379 473 W HA -0.190 4.470 4.660 -0.001 0.000 0.307 473 W C 2.565 179.090 176.519 0.010 0.000 1.200 473 W CA 1.145 58.539 57.345 0.081 0.000 1.297 473 W CB -0.515 28.958 29.460 0.021 0.000 1.140 473 W HN 0.068 nan 8.180 nan 0.000 0.507 474 A N 0.348 123.277 122.820 0.180 0.000 1.855 474 A HA -0.176 4.144 4.320 -0.001 0.000 0.215 474 A C 1.833 179.389 177.584 -0.046 0.000 1.191 474 A CA 2.411 54.465 52.037 0.027 0.000 0.613 474 A CB -1.354 17.659 19.000 0.023 0.000 0.829 474 A HN 0.182 nan 8.150 nan 0.000 0.442 475 T N -0.588 113.884 114.554 -0.135 0.000 2.737 475 T HA -0.180 4.170 4.350 -0.001 0.000 0.269 475 T C 1.583 176.211 174.700 -0.121 0.000 1.040 475 T CA 1.717 63.709 62.100 -0.181 0.000 1.142 475 T CB -0.424 68.262 68.868 -0.303 0.000 0.861 475 T HN 0.491 nan 8.240 nan 0.000 0.456 476 F N 1.988 121.816 119.950 -0.203 0.000 2.186 476 F HA 0.101 4.628 4.527 -0.001 0.000 0.299 476 F C 2.376 178.069 175.800 -0.180 0.000 1.090 476 F CA 0.817 58.657 58.000 -0.267 0.000 1.307 476 F CB -0.472 38.288 39.000 -0.401 0.000 1.019 476 F HN 0.134 nan 8.300 nan 0.000 0.489 477 A N 0.549 123.295 122.820 -0.123 0.000 1.972 477 A HA -0.142 4.178 4.320 -0.001 0.000 0.219 477 A C 2.207 179.665 177.584 -0.210 0.000 1.169 477 A CA 1.661 53.600 52.037 -0.164 0.000 0.635 477 A CB -0.476 18.485 19.000 -0.066 0.000 0.810 477 A HN 0.479 nan 8.150 nan 0.000 0.446 478 K N -1.278 119.013 120.400 -0.181 0.000 2.020 478 K HA -0.003 4.317 4.320 -0.001 0.000 0.206 478 K C 2.089 178.578 176.600 -0.185 0.000 1.038 478 K CA 1.586 57.785 56.287 -0.146 0.000 0.947 478 K CB -0.631 31.809 32.500 -0.099 0.000 0.744 478 K HN 0.337 nan 8.250 nan 0.000 0.442 479 T N -0.543 113.888 114.554 -0.205 0.000 2.770 479 T HA -0.003 4.346 4.350 -0.001 0.000 0.263 479 T C 1.343 175.873 174.700 -0.283 0.000 1.039 479 T CA 1.540 63.522 62.100 -0.196 0.000 1.142 479 T CB -0.170 68.604 68.868 -0.155 0.000 0.868 479 T HN 0.610 nan 8.240 nan 0.000 0.435 480 G N 1.421 109.917 108.800 -0.507 0.000 2.175 480 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.182 480 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.182 480 G C -0.124 174.556 174.900 -0.368 0.000 1.003 480 G CA -0.082 44.607 45.100 -0.684 0.000 0.666 480 G HN 0.610 nan 8.290 nan 0.000 0.506 481 N N -0.017 118.502 118.700 -0.302 0.000 2.336 481 N HA 0.493 5.232 4.740 -0.001 0.000 0.290 481 N C -2.123 173.193 175.510 -0.325 0.000 1.058 481 N CA -1.516 51.336 53.050 -0.330 0.000 0.865 481 N CB 2.775 41.201 38.487 -0.100 0.000 1.581 481 N HN -0.096 nan 8.380 nan 0.000 0.480 482 P HA 0.046 nan 4.420 nan 0.000 0.231 482 P C -0.538 176.813 177.300 0.086 0.000 1.168 482 P CA 0.589 63.556 63.100 -0.220 0.000 0.779 482 P CB 0.345 31.678 31.700 -0.610 0.000 0.844 483 N N 0.137 118.851 118.700 0.024 0.000 2.472 483 N HA 0.156 4.895 4.740 -0.001 0.000 0.277 483 N C -0.167 175.405 175.510 0.104 0.000 1.081 483 N CA -0.180 52.973 53.050 0.172 0.000 0.973 483 N CB 0.704 39.291 38.487 0.166 0.000 1.105 483 N HN -0.162 nan 8.380 nan 0.000 0.470 484 E N 1.491 121.776 120.200 0.143 0.000 2.390 484 E HA 0.170 4.519 4.350 -0.001 0.000 0.261 484 E C -1.837 174.823 176.600 0.100 0.000 1.076 484 E CA -1.335 55.129 56.400 0.108 0.000 0.905 484 E CB 0.352 30.151 29.700 0.165 0.000 0.984 484 E HN 0.452 nan 8.360 nan 0.000 0.427 491 K N 1.302 121.824 120.400 0.204 0.000 2.382 491 K HA 0.121 4.440 4.320 -0.001 0.000 0.275 491 K C -0.635 176.163 176.600 0.329 0.000 1.009 491 K CA -0.117 56.324 56.287 0.257 0.000 0.970 491 K CB 0.259 32.880 32.500 0.202 0.000 0.934 491 K HN 0.687 nan 8.250 nan 0.000 0.479 492 W N 6.398 127.788 121.300 0.149 0.000 2.367 492 W HA 0.260 4.920 4.660 -0.001 0.000 0.329 492 W C -2.427 174.228 176.519 0.226 0.000 1.066 492 W CA -3.045 54.385 57.345 0.142 0.000 1.435 492 W CB -0.300 29.173 29.460 0.020 0.000 1.296 492 W HN 0.367 nan 8.180 nan 0.000 0.401 493 P HA 0.026 nan 4.420 nan 0.000 0.270 493 P C 0.003 177.496 177.300 0.322 0.000 1.227 493 P CA 0.115 63.420 63.100 0.341 0.000 0.788 493 P CB 0.932 32.763 31.700 0.219 0.000 0.926 494 L N 0.912 122.200 121.223 0.109 0.000 2.453 494 L HA 0.294 4.633 4.340 -0.001 0.000 0.261 494 L C 0.663 177.547 176.870 0.023 0.000 1.179 494 L CA -0.518 54.245 54.840 -0.129 0.000 0.813 494 L CB 0.038 41.998 42.059 -0.165 0.000 1.110 494 L HN 0.305 nan 8.230 nan 0.000 0.466 495 F N 1.430 121.320 119.950 -0.100 0.000 2.396 495 F HA 0.431 4.958 4.527 -0.001 0.000 0.343 495 F C 0.280 176.072 175.800 -0.012 0.000 1.104 495 F CA -0.380 57.632 58.000 0.020 0.000 1.161 495 F CB 1.122 40.149 39.000 0.046 0.000 1.146 495 F HN 0.456 nan 8.300 nan 0.000 0.522 496 T N 0.608 114.727 114.554 -0.725 0.000 2.900 496 T HA 0.269 4.618 4.350 -0.001 0.000 0.295 496 T C 0.804 175.141 174.700 -0.606 0.000 1.044 496 T CA -0.058 61.791 62.100 -0.417 0.000 0.995 496 T CB 1.340 70.079 68.868 -0.215 0.000 1.072 496 T HN 0.692 nan 8.240 nan 0.000 0.473 497 T N -1.122 113.297 114.554 -0.225 0.000 2.929 497 T HA 0.010 4.360 4.350 -0.001 0.000 0.271 497 T C 2.122 176.744 174.700 -0.129 0.000 1.085 497 T CA 1.443 63.475 62.100 -0.114 0.000 1.125 497 T CB -0.809 68.068 68.868 0.015 0.000 0.874 497 T HN 0.954 nan 8.240 nan 0.000 0.494 498 K N 2.015 122.334 120.400 -0.135 0.000 1.965 498 K HA 0.060 4.380 4.320 -0.001 0.000 0.214 498 K C 1.683 178.216 176.600 -0.111 0.000 1.042 498 K CA 1.362 57.595 56.287 -0.091 0.000 0.950 498 K CB -1.118 31.342 32.500 -0.067 0.000 0.733 498 K HN 0.752 nan 8.250 nan 0.000 0.441 499 E N 1.463 121.574 120.200 -0.148 0.000 2.167 499 E HA 0.298 4.647 4.350 -0.001 0.000 0.247 499 E C -0.835 175.623 176.600 -0.237 0.000 0.961 499 E CA -0.684 55.638 56.400 -0.130 0.000 0.797 499 E CB 0.190 29.842 29.700 -0.080 0.000 1.182 499 E HN 0.501 nan 8.360 nan 0.000 0.437 500 Q N 1.992 121.625 119.800 -0.279 0.000 2.828 500 Q HA 0.085 4.424 4.340 -0.001 0.000 0.234 500 Q C -0.278 175.699 176.000 -0.038 0.000 1.348 500 Q CA 0.381 55.900 55.803 -0.474 0.000 0.878 500 Q CB -0.494 28.173 28.738 -0.118 0.000 1.721 500 Q HN 0.364 nan 8.270 nan 0.000 0.550 501 K N 1.666 122.044 120.400 -0.037 0.000 2.154 501 K HA 0.516 4.836 4.320 -0.001 0.000 0.264 501 K C -0.309 176.568 176.600 0.463 0.000 1.008 501 K CA -0.193 56.186 56.287 0.152 0.000 0.937 501 K CB 0.647 33.191 32.500 0.074 0.000 1.002 501 K HN 0.308 nan 8.250 nan 0.000 0.469 502 F N -0.500 119.617 119.950 0.279 0.000 2.779 502 F HA 0.620 5.147 4.527 -0.001 0.000 0.316 502 F C -1.322 174.603 175.800 0.209 0.000 1.164 502 F CA -1.505 56.688 58.000 0.321 0.000 0.924 502 F CB 0.800 39.985 39.000 0.308 0.000 1.348 502 F HN 0.397 nan 8.300 nan 0.000 0.467 503 I N -0.936 119.825 120.570 0.318 0.000 3.002 503 I HA 0.674 4.843 4.170 -0.001 0.000 0.310 503 I C -1.381 174.938 176.117 0.337 0.000 1.087 503 I CA -0.894 60.445 61.300 0.066 0.000 1.017 503 I CB 2.124 39.928 38.000 -0.327 0.000 1.226 503 I HN 0.429 nan 8.210 nan 0.000 0.443 504 D N 2.998 123.573 120.400 0.293 0.000 2.255 504 D HA 0.470 5.110 4.640 -0.001 0.000 0.249 504 D C -0.909 175.499 176.300 0.179 0.000 1.078 504 D CA 0.139 54.355 54.000 0.359 0.000 0.896 504 D CB 2.147 43.156 40.800 0.348 0.000 1.194 504 D HN 0.375 nan 8.370 nan 0.000 0.429 505 L N 3.506 124.837 121.223 0.179 0.000 2.408 505 L HA 0.295 4.635 4.340 -0.001 0.000 0.257 505 L C -0.960 175.864 176.870 -0.077 0.000 1.053 505 L CA -0.377 54.532 54.840 0.116 0.000 0.922 505 L CB -0.266 41.969 42.059 0.294 0.000 1.261 505 L HN 0.431 nan 8.230 nan 0.000 0.458 506 N N -1.367 117.281 118.700 -0.087 0.000 2.853 506 N HA 0.339 5.078 4.740 -0.001 0.000 0.258 506 N C 0.589 176.018 175.510 -0.135 0.000 1.444 506 N CA -0.197 52.730 53.050 -0.203 0.000 0.837 506 N CB 0.557 38.973 38.487 -0.119 0.000 1.489 506 N HN 0.030 nan 8.380 nan 0.000 0.529 507 T N -3.898 110.544 114.554 -0.187 0.000 3.077 507 T HA -0.003 4.346 4.350 -0.001 0.000 0.269 507 T C 0.275 174.967 174.700 -0.014 0.000 1.146 507 T CA 0.578 62.615 62.100 -0.105 0.000 1.091 507 T CB -0.551 68.249 68.868 -0.114 0.000 0.892 507 T HN 0.429 nan 8.240 nan 0.000 0.533 508 E N 1.690 121.897 120.200 0.011 0.000 2.351 508 E HA 0.357 4.707 4.350 -0.001 0.000 0.255 508 E C -2.535 174.086 176.600 0.036 0.000 1.188 508 E CA -1.809 54.610 56.400 0.032 0.000 0.940 508 E CB -0.411 29.317 29.700 0.046 0.000 1.094 508 E HN 0.359 nan 8.360 nan 0.000 0.474 509 P HA -0.069 nan 4.420 nan 0.000 0.255 509 P C 0.040 177.365 177.300 0.042 0.000 1.161 509 P CA 0.632 63.756 63.100 0.040 0.000 0.768 509 P CB -0.001 31.719 31.700 0.033 0.000 0.746 510 M N 3.080 122.709 119.600 0.050 0.000 2.240 510 M HA -0.065 4.414 4.480 -0.001 0.000 0.346 510 M C 0.049 176.347 176.300 -0.003 0.000 1.236 510 M CA 1.308 56.632 55.300 0.041 0.000 0.986 510 M CB 0.192 32.829 32.600 0.061 0.000 1.786 510 M HN 0.054 nan 8.290 nan 0.000 0.457 511 K N 3.184 123.567 120.400 -0.028 0.000 2.422 511 K HA 0.648 4.968 4.320 -0.001 0.000 0.251 511 K C -1.275 175.126 176.600 -0.331 0.000 0.933 511 K CA -0.869 55.303 56.287 -0.192 0.000 0.798 511 K CB 2.326 34.708 32.500 -0.196 0.000 1.238 511 K HN 0.586 nan 8.250 nan 0.000 0.428 512 V N 3.175 122.818 119.914 -0.451 0.000 2.532 512 V HA 0.531 4.650 4.120 -0.001 0.000 0.295 512 V C -0.004 175.633 176.094 -0.761 0.000 1.041 512 V CA -0.583 61.467 62.300 -0.417 0.000 0.926 512 V CB 1.254 32.957 31.823 -0.199 0.000 0.992 512 V HN 0.821 nan 8.190 nan 0.000 0.457 513 H N 2.388 121.067 119.070 -0.651 0.000 2.949 513 H HA 0.631 5.187 4.556 -0.001 0.000 0.310 513 H C -1.146 173.852 175.328 -0.550 0.000 1.405 513 H CA -0.790 54.853 56.048 -0.676 0.000 1.253 513 H CB 2.322 31.450 29.762 -1.056 0.000 1.932 513 H HN 0.565 nan 8.280 nan 0.000 0.602 514 Q N 0.275 120.037 119.800 -0.063 0.000 2.495 514 Q HA 0.346 4.685 4.340 -0.001 0.000 0.287 514 Q C -0.587 175.622 176.000 0.348 0.000 1.078 514 Q CA -1.005 54.875 55.803 0.129 0.000 0.793 514 Q CB 2.917 31.691 28.738 0.059 0.000 1.459 514 Q HN 0.465 nan 8.270 nan 0.000 0.422 515 R N 0.818 121.524 120.500 0.343 0.000 3.022 515 R HA -0.216 4.123 4.340 -0.001 0.000 0.248 515 R C -0.377 176.092 176.300 0.281 0.000 0.874 515 R CA -0.082 56.194 56.100 0.293 0.000 0.626 515 R CB -1.779 28.627 30.300 0.177 0.000 1.255 515 R HN 0.461 nan 8.270 nan 0.000 0.496 516 L N 2.460 123.824 121.223 0.234 0.000 2.737 516 L HA -0.087 4.252 4.340 -0.001 0.000 0.275 516 L C 0.775 177.614 176.870 -0.052 0.000 1.179 516 L CA 0.881 55.607 54.840 -0.191 0.000 0.970 516 L CB -0.147 41.485 42.059 -0.711 0.000 1.268 516 L HN 0.446 nan 8.230 nan 0.000 0.485 517 R N 2.076 122.561 120.500 -0.026 0.000 3.251 517 R HA -0.204 4.136 4.340 -0.001 0.000 0.249 517 R C 1.141 177.508 176.300 0.111 0.000 0.949 517 R CA 0.565 56.698 56.100 0.054 0.000 0.645 517 R CB -2.250 28.098 30.300 0.079 0.000 1.065 517 R HN 0.736 nan 8.270 nan 0.000 0.452 518 V N -2.090 117.891 119.914 0.111 0.000 2.220 518 V HA -0.341 3.779 4.120 -0.001 0.000 0.246 518 V C 2.401 178.575 176.094 0.134 0.000 1.049 518 V CA 1.673 64.049 62.300 0.126 0.000 1.003 518 V CB -0.475 31.416 31.823 0.113 0.000 0.634 518 V HN 0.367 nan 8.190 nan 0.000 0.444 519 Q N -0.508 119.354 119.800 0.103 0.000 2.065 519 Q HA -0.269 4.071 4.340 -0.001 0.000 0.213 519 Q C 2.366 178.443 176.000 0.128 0.000 1.012 519 Q CA 2.407 58.260 55.803 0.084 0.000 0.876 519 Q CB -0.460 28.300 28.738 0.037 0.000 0.954 519 Q HN 0.577 nan 8.270 nan 0.000 0.413 520 M N -0.498 119.201 119.600 0.164 0.000 2.132 520 M HA -0.129 4.350 4.480 -0.001 0.000 0.263 520 M C 2.462 179.043 176.300 0.469 0.000 1.065 520 M CA 0.943 56.418 55.300 0.291 0.000 1.122 520 M CB -1.267 31.554 32.600 0.369 0.000 1.365 520 M HN 0.307 nan 8.290 nan 0.000 0.411 521 c N -0.088 118.734 118.600 0.370 0.000 2.419 521 c HA -0.064 4.505 4.570 -0.001 0.000 0.281 521 c C 2.971 177.240 174.090 0.298 0.000 1.336 521 c CA 0.916 57.466 56.329 0.369 0.000 1.770 521 c CB -1.205 41.451 42.510 0.243 0.000 1.929 521 c HN 0.551 nan 8.230 nan 0.000 0.509 522 V N 0.441 120.494 119.914 0.232 0.000 2.515 522 V HA -0.160 3.959 4.120 -0.001 0.000 0.250 522 V C 1.983 178.188 176.094 0.184 0.000 1.058 522 V CA 2.120 64.529 62.300 0.183 0.000 1.064 522 V CB -0.912 30.995 31.823 0.141 0.000 0.675 522 V HN 0.492 nan 8.190 nan 0.000 0.461 523 F N 0.638 120.650 119.950 0.104 0.000 2.075 523 F HA -0.087 4.439 4.527 -0.001 0.000 0.297 523 F C 1.782 177.636 175.800 0.089 0.000 1.113 523 F CA 2.159 60.181 58.000 0.036 0.000 1.218 523 F CB -0.601 38.301 39.000 -0.164 0.000 0.984 523 F HN 0.287 nan 8.300 nan 0.000 0.472 524 W N 0.469 121.708 121.300 -0.102 0.000 2.453 524 W HA -0.069 4.590 4.660 -0.001 0.000 0.289 524 W C 2.139 178.566 176.519 -0.152 0.000 1.215 524 W CA 0.777 58.008 57.345 -0.190 0.000 1.297 524 W CB -0.549 28.958 29.460 0.079 0.000 1.113 524 W HN -0.048 nan 8.180 nan 0.000 0.551 525 N N -0.658 118.147 118.700 0.176 0.000 2.416 525 N HA -0.080 4.659 4.740 -0.001 0.000 0.177 525 N C 1.523 177.030 175.510 -0.005 0.000 1.036 525 N CA 1.044 54.117 53.050 0.037 0.000 0.901 525 N CB -0.273 38.254 38.487 0.066 0.000 0.976 525 N HN 0.142 nan 8.380 nan 0.000 0.444 526 Q N -1.284 118.532 119.800 0.027 0.000 2.586 526 Q HA 0.256 4.596 4.340 -0.001 0.000 0.243 526 Q C 1.505 177.513 176.000 0.013 0.000 0.846 526 Q CA -0.296 55.524 55.803 0.029 0.000 0.959 526 Q CB -0.366 28.423 28.738 0.085 0.000 1.227 526 Q HN 0.402 nan 8.270 nan 0.000 0.611 527 F N 1.626 121.493 119.950 -0.137 0.000 2.053 527 F HA 0.028 4.554 4.527 -0.001 0.000 0.292 527 F C 2.040 177.702 175.800 -0.230 0.000 1.125 527 F CA 1.210 59.118 58.000 -0.152 0.000 1.193 527 F CB -0.483 38.469 39.000 -0.080 0.000 0.996 527 F HN 0.171 nan 8.300 nan 0.000 0.470 528 L N 1.199 122.112 121.223 -0.516 0.000 1.991 528 L HA -0.223 4.116 4.340 -0.001 0.000 0.221 528 L C -0.485 176.192 176.870 -0.323 0.000 1.079 528 L CA 2.767 57.294 54.840 -0.520 0.000 0.778 528 L CB -2.362 39.313 42.059 -0.641 0.000 0.893 528 L HN 0.111 nan 8.230 nan 0.000 0.437 529 P HA -0.173 nan 4.420 nan 0.000 0.215 529 P C 1.502 178.690 177.300 -0.188 0.000 1.153 529 P CA 1.593 64.601 63.100 -0.153 0.000 0.853 529 P CB -0.087 31.540 31.700 -0.121 0.000 0.788 530 K N -0.624 119.626 120.400 -0.250 0.000 2.057 530 K HA -0.120 4.199 4.320 -0.001 0.000 0.207 530 K C 2.153 178.582 176.600 -0.285 0.000 1.049 530 K CA 1.007 57.150 56.287 -0.239 0.000 0.931 530 K CB -0.933 31.416 32.500 -0.251 0.000 0.714 530 K HN 0.131 nan 8.250 nan 0.000 0.440 531 L N 1.475 122.416 121.223 -0.468 0.000 1.970 531 L HA -0.225 4.114 4.340 -0.001 0.000 0.212 531 L C 2.141 178.890 176.870 -0.202 0.000 1.071 531 L CA 1.455 56.051 54.840 -0.406 0.000 0.751 531 L CB -0.264 41.450 42.059 -0.573 0.000 0.889 531 L HN 0.159 nan 8.230 nan 0.000 0.432 532 L N 0.121 121.245 121.223 -0.165 0.000 2.187 532 L HA -0.222 4.118 4.340 -0.001 0.000 0.213 532 L C 2.793 179.620 176.870 -0.071 0.000 1.100 532 L CA 1.516 56.309 54.840 -0.079 0.000 0.765 532 L CB -1.471 40.572 42.059 -0.027 0.000 0.904 532 L HN 0.596 nan 8.230 nan 0.000 0.437 533 N N 0.096 118.740 118.700 -0.094 0.000 2.300 533 N HA 0.048 4.787 4.740 -0.001 0.000 0.179 533 N C 2.035 177.507 175.510 -0.064 0.000 1.016 533 N CA 1.108 54.114 53.050 -0.073 0.000 0.876 533 N CB -0.347 38.093 38.487 -0.078 0.000 0.979 533 N HN 0.388 nan 8.380 nan 0.000 0.432 534 A N 0.085 122.857 122.820 -0.079 0.000 1.929 534 A HA 0.158 4.477 4.320 -0.001 0.000 0.216 534 A C 1.801 179.359 177.584 -0.043 0.000 1.176 534 A CA 1.512 53.513 52.037 -0.059 0.000 0.628 534 A CB -0.710 18.250 19.000 -0.067 0.000 0.816 534 A HN 0.491 nan 8.150 nan 0.000 0.444 535 T N 0.000 114.526 114.554 -0.047 0.000 3.816 535 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.082 62.100 -0.030 0.000 1.349 535 T CB 0.000 68.851 68.868 -0.028 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658