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 1ea5_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.648 174.600 0.079 0.000 1.055 4 S CA 0.000 58.231 58.200 0.052 0.000 1.107 4 S CB 0.000 63.230 63.200 0.049 0.000 0.593 5 E N 2.292 122.543 120.200 0.085 0.000 2.268 5 E HA 0.004 4.353 4.350 -0.001 0.000 0.195 5 E C 1.007 177.729 176.600 0.204 0.000 0.995 5 E CA 1.025 57.502 56.400 0.127 0.000 0.836 5 E CB -0.061 29.703 29.700 0.106 0.000 0.763 5 E HN 0.706 nan 8.360 nan 0.000 0.491 6 L N 0.885 122.198 121.223 0.150 0.000 2.592 6 L HA 0.172 4.511 4.340 -0.001 0.000 0.227 6 L C 0.176 177.226 176.870 0.300 0.000 1.127 6 L CA -0.334 54.596 54.840 0.151 0.000 0.884 6 L CB 0.365 42.420 42.059 -0.006 0.000 1.065 6 L HN 0.142 nan 8.230 nan 0.000 0.457 7 L N 0.565 121.935 121.223 0.244 0.000 2.313 7 L HA 0.561 4.901 4.340 -0.001 0.000 0.283 7 L C -0.716 176.230 176.870 0.126 0.000 1.013 7 L CA -0.311 54.654 54.840 0.209 0.000 0.816 7 L CB 1.713 43.843 42.059 0.118 0.000 1.236 7 L HN -0.326 nan 8.230 nan 0.000 0.419 8 V N 4.290 124.244 119.914 0.067 0.000 2.638 8 V HA 0.480 4.600 4.120 -0.001 0.000 0.306 8 V C -0.758 175.231 176.094 -0.174 0.000 1.052 8 V CA -0.802 61.376 62.300 -0.202 0.000 0.885 8 V CB 2.103 33.495 31.823 -0.718 0.000 0.999 8 V HN 0.750 nan 8.190 nan 0.000 0.424 9 N N 2.656 121.200 118.700 -0.260 0.000 2.439 9 N HA 0.515 5.254 4.740 -0.001 0.000 0.249 9 N C 0.113 175.287 175.510 -0.560 0.000 1.003 9 N CA -0.309 52.559 53.050 -0.303 0.000 0.942 9 N CB 1.421 39.728 38.487 -0.299 0.000 1.115 9 N HN 0.890 nan 8.380 nan 0.000 0.505 10 T N -1.536 112.792 114.554 -0.377 0.000 2.923 10 T HA 0.350 4.700 4.350 -0.001 0.000 0.281 10 T C 0.978 175.432 174.700 -0.410 0.000 0.995 10 T CA -0.698 61.158 62.100 -0.405 0.000 0.985 10 T CB 1.329 70.215 68.868 0.031 0.000 1.114 10 T HN 0.252 nan 8.240 nan 0.000 0.548 11 K N 0.146 120.362 120.400 -0.307 0.000 2.362 11 K HA 0.034 4.353 4.320 -0.001 0.000 0.200 11 K C 1.982 178.436 176.600 -0.244 0.000 1.046 11 K CA 0.855 57.001 56.287 -0.234 0.000 0.952 11 K CB -0.052 32.371 32.500 -0.129 0.000 0.753 11 K HN 0.431 nan 8.250 nan 0.000 0.466 12 S N -0.278 115.263 115.700 -0.266 0.000 2.535 12 S HA 0.193 4.663 4.470 -0.001 0.000 0.214 12 S C 0.446 174.343 174.600 -1.171 0.000 0.980 12 S CA 0.255 58.171 58.200 -0.474 0.000 0.907 12 S CB 0.952 64.054 63.200 -0.163 0.000 0.790 12 S HN 0.543 nan 8.310 nan 0.000 0.510 13 G N 1.142 109.448 108.800 -0.823 0.000 2.361 13 G HA2 0.087 4.047 3.960 -0.001 0.000 0.331 13 G HA3 0.087 4.047 3.960 -0.001 0.000 0.331 13 G C -1.775 173.043 174.900 -0.136 0.000 1.324 13 G CA -1.180 43.427 45.100 -0.821 0.000 0.984 13 G HN 0.116 nan 8.290 nan 0.000 0.586 14 K N -0.500 120.009 120.400 0.182 0.000 2.185 14 K HA 0.621 4.940 4.320 -0.001 0.000 0.271 14 K C 0.224 177.180 176.600 0.593 0.000 1.013 14 K CA -0.435 56.032 56.287 0.301 0.000 0.943 14 K CB 1.907 34.531 32.500 0.206 0.000 0.998 14 K HN 1.162 nan 8.250 nan 0.000 0.468 15 V N -0.282 119.912 119.914 0.466 0.000 2.789 15 V HA 0.604 4.723 4.120 -0.001 0.000 0.311 15 V C -1.025 175.351 176.094 0.469 0.000 1.073 15 V CA -1.129 61.500 62.300 0.547 0.000 0.921 15 V CB 1.753 33.952 31.823 0.627 0.000 1.009 15 V HN 0.766 nan 8.190 nan 0.000 0.426 16 M N 4.640 124.484 119.600 0.406 0.000 2.114 16 M HA 0.847 5.326 4.480 -0.001 0.000 0.332 16 M C 0.250 176.667 176.300 0.197 0.000 1.014 16 M CA 0.230 55.702 55.300 0.287 0.000 0.956 16 M CB 0.877 33.568 32.600 0.152 0.000 1.551 16 M HN 1.146 nan 8.290 nan 0.000 0.427 17 G N 1.604 110.398 108.800 -0.011 0.000 2.574 17 G HA2 0.619 4.578 3.960 -0.001 0.000 0.248 17 G HA3 0.619 4.578 3.960 -0.001 0.000 0.248 17 G C -1.040 173.644 174.900 -0.361 0.000 1.422 17 G CA -0.334 44.437 45.100 -0.549 0.000 1.051 17 G HN 0.679 nan 8.290 nan 0.000 0.560 18 T N -1.535 112.765 114.554 -0.423 0.000 2.916 18 T HA 0.489 4.839 4.350 -0.001 0.000 0.305 18 T C -0.709 173.870 174.700 -0.201 0.000 1.119 18 T CA -0.694 61.265 62.100 -0.236 0.000 1.008 18 T CB 1.455 70.214 68.868 -0.182 0.000 1.129 18 T HN 0.597 nan 8.240 nan 0.000 0.480 19 R N 2.996 123.431 120.500 -0.109 0.000 2.298 19 R HA 0.614 4.954 4.340 -0.001 0.000 0.310 19 R C -0.429 175.875 176.300 0.007 0.000 1.068 19 R CA -0.461 55.617 56.100 -0.037 0.000 0.957 19 R CB 0.319 30.606 30.300 -0.021 0.000 1.003 19 R HN 0.528 nan 8.270 nan 0.000 0.454 20 V N 2.636 122.572 119.914 0.037 0.000 2.680 20 V HA 0.682 4.801 4.120 -0.001 0.000 0.309 20 V C -2.518 173.566 176.094 -0.016 0.000 1.052 20 V CA -2.667 59.644 62.300 0.019 0.000 0.908 20 V CB 1.684 33.511 31.823 0.007 0.000 1.001 20 V HN 0.779 nan 8.190 nan 0.000 0.431 21 P HA 0.425 nan 4.420 nan 0.000 0.278 21 P C -0.903 176.196 177.300 -0.336 0.000 1.238 21 P CA -0.182 62.678 63.100 -0.401 0.000 0.794 21 P CB 2.044 33.553 31.700 -0.317 0.000 0.955 22 V N 5.319 124.967 119.914 -0.444 0.000 2.739 22 V HA 0.144 4.263 4.120 -0.001 0.000 0.293 22 V C -0.106 175.728 176.094 -0.433 0.000 1.199 22 V CA -0.782 61.284 62.300 -0.389 0.000 0.931 22 V CB 0.652 32.207 31.823 -0.446 0.000 1.052 22 V HN 0.505 nan 8.190 nan 0.000 0.441 23 L N 6.444 127.566 121.223 -0.168 0.000 3.879 23 L HA -0.224 4.116 4.340 -0.001 0.000 0.481 23 L C 1.076 177.859 176.870 -0.145 0.000 1.232 23 L CA 1.110 55.896 54.840 -0.090 0.000 0.736 23 L CB -1.755 40.329 42.059 0.042 0.000 1.511 23 L HN 1.761 nan 8.230 nan 0.000 0.830 24 S N -3.438 112.165 115.700 -0.163 0.000 3.382 24 S HA -0.244 4.225 4.470 -0.001 0.000 0.293 24 S C 0.223 174.730 174.600 -0.155 0.000 1.262 24 S CA 1.392 59.517 58.200 -0.126 0.000 0.969 24 S CB -1.225 61.954 63.200 -0.035 0.000 1.136 24 S HN 1.056 nan 8.310 nan 0.000 0.635 25 S N -0.477 115.021 115.700 -0.337 0.000 2.998 25 S HA 0.878 5.348 4.470 -0.001 0.000 0.323 25 S C -1.277 173.020 174.600 -0.504 0.000 1.141 25 S CA -0.291 57.759 58.200 -0.249 0.000 0.873 25 S CB 1.173 64.215 63.200 -0.263 0.000 1.315 25 S HN 0.743 nan 8.310 nan 0.000 0.637 26 H N -0.381 118.591 119.070 -0.163 0.000 3.016 26 H HA 0.744 5.299 4.556 -0.001 0.000 0.362 26 H C -0.595 174.720 175.328 -0.021 0.000 1.233 26 H CA -0.286 55.701 56.048 -0.101 0.000 1.124 26 H CB 1.346 31.081 29.762 -0.044 0.000 1.850 26 H HN 0.758 nan 8.280 nan 0.000 0.549 27 I N -2.433 118.220 120.570 0.139 0.000 3.279 27 I HA 0.725 4.894 4.170 -0.001 0.000 0.315 27 I C -1.107 175.095 176.117 0.141 0.000 1.225 27 I CA -1.004 60.401 61.300 0.174 0.000 0.947 27 I CB 2.503 40.635 38.000 0.221 0.000 1.293 27 I HN 0.396 nan 8.210 nan 0.000 0.468 28 S N 1.341 117.137 115.700 0.161 0.000 2.541 28 S HA 0.848 5.318 4.470 -0.001 0.000 0.283 28 S C -0.322 174.281 174.600 0.005 0.000 1.196 28 S CA -0.503 57.722 58.200 0.042 0.000 1.062 28 S CB 1.524 64.800 63.200 0.128 0.000 1.009 28 S HN 0.871 nan 8.310 nan 0.000 0.502 29 A N 2.130 124.776 122.820 -0.290 0.000 2.374 29 A HA 0.793 5.113 4.320 -0.001 0.000 0.305 29 A C -1.439 175.802 177.584 -0.572 0.000 1.053 29 A CA -0.629 51.173 52.037 -0.391 0.000 0.726 29 A CB 0.560 19.321 19.000 -0.399 0.000 1.229 29 A HN 0.652 nan 8.150 nan 0.000 0.431 30 F N 2.748 122.566 119.950 -0.221 0.000 2.434 30 F HA 0.474 5.001 4.527 -0.001 0.000 0.367 30 F C -0.193 175.497 175.800 -0.183 0.000 1.093 30 F CA -0.367 57.590 58.000 -0.072 0.000 1.085 30 F CB 1.304 40.374 39.000 0.116 0.000 1.322 30 F HN 0.366 nan 8.300 nan 0.000 0.452 31 L N 2.105 123.290 121.223 -0.062 0.000 2.322 31 L HA 0.727 5.066 4.340 -0.001 0.000 0.279 31 L C 0.976 177.888 176.870 0.069 0.000 1.036 31 L CA -1.018 53.783 54.840 -0.066 0.000 0.807 31 L CB 1.521 43.459 42.059 -0.202 0.000 1.226 31 L HN 0.821 nan 8.230 nan 0.000 0.433 32 G N 2.934 111.797 108.800 0.105 0.000 2.225 32 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.264 32 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.264 32 G C -0.138 174.872 174.900 0.183 0.000 1.060 32 G CA -0.348 44.812 45.100 0.099 0.000 0.833 32 G HN 0.486 nan 8.290 nan 0.000 0.498 33 I N 2.236 122.840 120.570 0.057 0.000 2.396 33 I HA 0.230 4.400 4.170 -0.001 0.000 0.289 33 I C -1.359 174.584 176.117 -0.291 0.000 1.056 33 I CA -2.107 59.050 61.300 -0.238 0.000 1.365 33 I CB 1.157 38.986 38.000 -0.284 0.000 1.407 33 I HN 0.005 nan 8.210 nan 0.000 0.509 34 P HA 0.061 nan 4.420 nan 0.000 0.281 34 P C -0.320 176.623 177.300 -0.596 0.000 1.252 34 P CA -0.027 62.603 63.100 -0.783 0.000 0.778 34 P CB 0.698 31.853 31.700 -0.909 0.000 0.895 35 F N 0.991 120.614 119.950 -0.545 0.000 2.728 35 F HA 0.725 5.252 4.527 -0.001 0.000 0.314 35 F C 0.058 175.754 175.800 -0.172 0.000 1.094 35 F CA -0.833 56.915 58.000 -0.421 0.000 1.217 35 F CB 0.069 38.810 39.000 -0.432 0.000 1.056 35 F HN 0.350 nan 8.300 nan 0.000 0.577 36 A N 0.041 122.540 122.820 -0.536 0.000 2.594 36 A HA 0.624 4.943 4.320 -0.001 0.000 0.291 36 A C -0.911 176.485 177.584 -0.313 0.000 1.105 36 A CA -0.765 51.095 52.037 -0.295 0.000 0.694 36 A CB 1.085 19.903 19.000 -0.303 0.000 1.291 36 A HN 0.049 nan 8.150 nan 0.000 0.410 37 E N 0.878 120.986 120.200 -0.154 0.000 2.354 37 E HA 0.301 4.651 4.350 -0.001 0.000 0.269 37 E C -2.375 174.131 176.600 -0.157 0.000 1.036 37 E CA -1.508 54.823 56.400 -0.116 0.000 0.876 37 E CB 0.265 29.942 29.700 -0.039 0.000 1.009 37 E HN 0.230 nan 8.360 nan 0.000 0.416 38 P HA 0.001 nan 4.420 nan 0.000 0.260 38 P C -2.214 175.030 177.300 -0.093 0.000 1.185 38 P CA -0.649 62.377 63.100 -0.122 0.000 0.763 38 P CB -0.009 31.657 31.700 -0.057 0.000 0.776 39 P HA 0.007 nan 4.420 nan 0.000 0.226 39 P C -0.326 176.921 177.300 -0.087 0.000 1.783 39 P CA 0.122 63.173 63.100 -0.082 0.000 0.980 39 P CB -0.089 31.563 31.700 -0.080 0.000 1.967 40 V N -2.289 117.582 119.914 -0.072 0.000 3.096 40 V HA 0.878 4.998 4.120 -0.001 0.000 0.319 40 V C 1.099 177.159 176.094 -0.057 0.000 1.103 40 V CA 0.098 62.355 62.300 -0.071 0.000 1.016 40 V CB 0.746 32.535 31.823 -0.056 0.000 1.090 40 V HN 0.543 nan 8.190 nan 0.000 0.449 41 G N 1.461 110.226 108.800 -0.057 0.000 2.634 41 G HA2 -0.433 3.526 3.960 -0.001 0.000 0.318 41 G HA3 -0.433 3.526 3.960 -0.001 0.000 0.318 41 G C 1.037 175.914 174.900 -0.037 0.000 1.207 41 G CA 1.821 46.898 45.100 -0.040 0.000 0.987 41 G HN 2.012 nan 8.290 nan 0.000 0.547 42 N N -0.126 118.569 118.700 -0.009 0.000 2.453 42 N HA 0.190 4.929 4.740 -0.001 0.000 0.183 42 N C 2.399 177.913 175.510 0.007 0.000 1.041 42 N CA 2.245 55.304 53.050 0.014 0.000 0.900 42 N CB -0.425 38.078 38.487 0.028 0.000 0.961 42 N HN 0.683 nan 8.380 nan 0.000 0.443 43 M N -0.395 119.194 119.600 -0.019 0.000 2.595 43 M HA 0.073 4.553 4.480 -0.001 0.000 0.248 43 M C 1.132 177.395 176.300 -0.061 0.000 1.119 43 M CA -0.091 55.196 55.300 -0.023 0.000 1.079 43 M CB 0.175 32.758 32.600 -0.027 0.000 1.472 43 M HN 0.268 nan 8.290 nan 0.000 0.501 44 R N 0.745 121.159 120.500 -0.143 0.000 2.538 44 R HA -0.076 4.264 4.340 -0.001 0.000 0.282 44 R C -0.425 175.674 176.300 -0.335 0.000 1.009 44 R CA 0.710 56.590 56.100 -0.366 0.000 1.063 44 R CB 0.142 30.085 30.300 -0.596 0.000 0.945 44 R HN 0.255 nan 8.270 nan 0.000 0.414 45 F N -0.452 119.499 119.950 0.001 0.000 2.502 45 F HA -0.285 4.241 4.527 -0.001 0.000 0.480 45 F C 0.552 176.334 175.800 -0.031 0.000 0.543 45 F CA 0.878 58.854 58.000 -0.040 0.000 1.350 45 F CB -1.418 37.546 39.000 -0.060 0.000 1.999 45 F HN 0.624 nan 8.300 nan 0.000 0.267 46 R N 1.276 121.847 120.500 0.117 0.000 2.560 46 R HA 0.491 4.831 4.340 -0.001 0.000 0.270 46 R C 0.656 176.984 176.300 0.046 0.000 1.074 46 R CA -0.742 55.403 56.100 0.075 0.000 1.140 46 R CB 0.543 30.874 30.300 0.052 0.000 1.073 46 R HN 0.093 nan 8.270 nan 0.000 0.527 47 R N 2.383 122.910 120.500 0.045 0.000 2.734 47 R HA 0.054 4.394 4.340 -0.001 0.000 0.266 47 R C -1.953 174.371 176.300 0.040 0.000 1.044 47 R CA -1.076 55.050 56.100 0.043 0.000 1.128 47 R CB -0.074 30.258 30.300 0.053 0.000 1.010 47 R HN 0.419 nan 8.270 nan 0.000 0.461 48 P HA 0.044 nan 4.420 nan 0.000 0.274 48 P C -0.903 176.428 177.300 0.052 0.000 1.237 48 P CA 0.055 63.182 63.100 0.046 0.000 0.793 48 P CB 0.872 32.621 31.700 0.083 0.000 0.977 49 E N 2.012 122.231 120.200 0.033 0.000 2.199 49 E HA 0.366 4.715 4.350 -0.001 0.000 0.269 49 E C -2.188 174.441 176.600 0.049 0.000 0.899 49 E CA -2.439 53.985 56.400 0.041 0.000 0.772 49 E CB 1.166 30.882 29.700 0.027 0.000 1.155 49 E HN 0.383 nan 8.360 nan 0.000 0.408 50 P HA -0.034 nan 4.420 nan 0.000 0.266 50 P C -0.144 177.206 177.300 0.083 0.000 1.195 50 P CA -0.239 62.926 63.100 0.109 0.000 0.768 50 P CB 0.663 32.435 31.700 0.120 0.000 0.838 51 K N 3.599 124.055 120.400 0.093 0.000 2.416 51 K HA 0.039 4.358 4.320 -0.001 0.000 0.283 51 K C 0.098 176.780 176.600 0.137 0.000 1.037 51 K CA 0.267 56.604 56.287 0.083 0.000 0.995 51 K CB -0.031 32.514 32.500 0.075 0.000 0.938 51 K HN 0.241 nan 8.250 nan 0.000 0.475 52 K N 6.063 126.542 120.400 0.132 0.000 2.412 52 K HA 0.121 4.441 4.320 -0.001 0.000 0.281 52 K C -2.167 174.534 176.600 0.168 0.000 1.027 52 K CA -1.592 54.770 56.287 0.125 0.000 0.989 52 K CB 0.192 32.761 32.500 0.115 0.000 0.935 52 K HN 0.518 nan 8.250 nan 0.000 0.475 53 P HA -0.079 nan 4.420 nan 0.000 0.266 53 P C -1.189 176.136 177.300 0.042 0.000 1.193 53 P CA 0.066 63.099 63.100 -0.111 0.000 0.770 53 P CB 0.259 31.866 31.700 -0.156 0.000 0.836 54 W N 1.260 122.630 121.300 0.118 0.000 2.706 54 W HA 0.686 5.346 4.660 -0.001 0.000 0.346 54 W C -0.657 175.935 176.519 0.122 0.000 1.071 54 W CA -0.998 56.434 57.345 0.145 0.000 1.206 54 W CB 0.107 29.716 29.460 0.248 0.000 1.413 54 W HN 0.367 nan 8.180 nan 0.000 0.542 55 S N 1.794 117.690 115.700 0.326 0.000 2.672 55 S HA 0.861 5.331 4.470 -0.001 0.000 0.276 55 S C 0.503 175.301 174.600 0.331 0.000 1.207 55 S CA 0.046 58.374 58.200 0.214 0.000 1.002 55 S CB 0.905 64.186 63.200 0.134 0.000 0.998 55 S HN 2.186 nan 8.310 nan 0.000 0.542 56 G N -0.269 108.669 108.800 0.230 0.000 2.642 56 G HA2 -0.101 3.859 3.960 -0.001 0.000 0.231 56 G HA3 -0.101 3.859 3.960 -0.001 0.000 0.231 56 G C -0.825 174.271 174.900 0.326 0.000 1.338 56 G CA -0.371 44.861 45.100 0.220 0.000 0.883 56 G HN 1.629 nan 8.290 nan 0.000 0.570 57 V N 0.634 120.695 119.914 0.245 0.000 2.417 57 V HA 0.520 4.639 4.120 -0.001 0.000 0.291 57 V C 0.281 176.501 176.094 0.211 0.000 1.024 57 V CA -0.551 61.918 62.300 0.282 0.000 0.861 57 V CB 1.794 33.721 31.823 0.174 0.000 0.985 57 V HN 0.723 nan 8.190 nan 0.000 0.436 58 W N 5.142 126.508 121.300 0.110 0.000 2.311 58 W HA 0.250 4.909 4.660 -0.001 0.000 0.310 58 W C 0.225 176.724 176.519 -0.032 0.000 1.274 58 W CA -0.460 56.791 57.345 -0.157 0.000 1.215 58 W CB 0.925 30.110 29.460 -0.459 0.000 1.227 58 W HN 0.708 nan 8.180 nan 0.000 0.523 59 N N 4.691 123.170 118.700 -0.368 0.000 2.402 59 N HA 0.204 4.944 4.740 -0.001 0.000 0.259 59 N C -0.338 175.174 175.510 0.004 0.000 1.167 59 N CA 0.203 53.152 53.050 -0.168 0.000 0.949 59 N CB 0.720 39.042 38.487 -0.276 0.000 1.212 59 N HN 0.343 nan 8.380 nan 0.000 0.493 60 A N 2.727 125.667 122.820 0.200 0.000 3.159 60 A HA 0.203 4.523 4.320 -0.001 0.000 0.301 60 A C 1.093 178.698 177.584 0.035 0.000 1.271 60 A CA -0.314 51.863 52.037 0.233 0.000 0.998 60 A CB -0.572 18.663 19.000 0.392 0.000 1.101 60 A HN 0.657 nan 8.150 nan 0.000 0.610 61 S N -0.900 114.777 115.700 -0.038 0.000 2.511 61 S HA 0.143 4.612 4.470 -0.001 0.000 0.214 61 S C 0.810 175.327 174.600 -0.140 0.000 0.997 61 S CA 0.635 58.769 58.200 -0.110 0.000 0.908 61 S CB -0.261 62.879 63.200 -0.100 0.000 0.803 61 S HN 0.851 nan 8.310 nan 0.000 0.504 62 T N -1.003 113.485 114.554 -0.110 0.000 2.906 62 T HA 0.634 4.984 4.350 -0.001 0.000 0.295 62 T C -0.854 173.818 174.700 -0.048 0.000 1.061 62 T CA -0.771 61.259 62.100 -0.116 0.000 1.000 62 T CB 0.752 69.572 68.868 -0.080 0.000 1.103 62 T HN 0.059 nan 8.240 nan 0.000 0.486 63 Y N 2.946 123.214 120.300 -0.053 0.000 2.683 63 Y HA 0.312 4.862 4.550 -0.001 0.000 0.340 63 Y C -1.399 174.439 175.900 -0.104 0.000 1.245 63 Y CA -1.306 56.765 58.100 -0.049 0.000 1.485 63 Y CB 0.136 38.588 38.460 -0.012 0.000 1.328 63 Y HN 0.556 nan 8.280 nan 0.000 0.603 64 P HA 0.148 nan 4.420 nan 0.000 0.297 64 P C -0.983 176.241 177.300 -0.127 0.000 1.307 64 P CA -0.578 62.399 63.100 -0.204 0.000 0.773 64 P CB 1.186 32.648 31.700 -0.397 0.000 1.265 65 N N -0.662 117.938 118.700 -0.167 0.000 2.399 65 N HA 0.122 4.862 4.740 -0.001 0.000 0.250 65 N C 0.022 175.503 175.510 -0.049 0.000 1.272 65 N CA -0.203 52.795 53.050 -0.087 0.000 0.928 65 N CB 0.086 38.529 38.487 -0.072 0.000 1.158 65 N HN 0.409 nan 8.380 nan 0.000 0.463 66 N N -0.438 118.223 118.700 -0.065 0.000 2.492 66 N HA 0.323 5.063 4.740 -0.001 0.000 0.289 66 N C -0.775 174.692 175.510 -0.071 0.000 1.133 66 N CA -0.782 52.223 53.050 -0.074 0.000 0.961 66 N CB 1.050 39.468 38.487 -0.114 0.000 1.186 66 N HN 0.386 nan 8.380 nan 0.000 0.493 67 c N 1.197 119.756 118.600 -0.069 0.000 2.657 67 c HA 0.059 4.629 4.570 -0.001 0.000 0.404 67 c C 0.610 174.617 174.090 -0.138 0.000 1.291 67 c CA -0.596 55.675 56.329 -0.098 0.000 2.218 67 c CB -0.014 42.463 42.510 -0.055 0.000 2.687 67 c HN 0.533 nan 8.230 nan 0.000 0.634 68 Q N 2.537 122.178 119.800 -0.264 0.000 2.300 68 Q HA 0.215 4.554 4.340 -0.001 0.000 0.280 68 Q C -0.051 175.911 176.000 -0.063 0.000 1.033 68 Q CA 0.955 56.594 55.803 -0.274 0.000 0.903 68 Q CB 0.472 28.803 28.738 -0.678 0.000 1.195 68 Q HN 0.886 nan 8.270 nan 0.000 0.386 69 Q N 1.337 121.175 119.800 0.064 0.000 2.633 69 Q HA 0.292 4.631 4.340 -0.001 0.000 0.289 69 Q C -1.324 174.835 176.000 0.265 0.000 0.940 69 Q CA -1.016 54.913 55.803 0.210 0.000 0.785 69 Q CB 0.717 29.540 28.738 0.142 0.000 1.467 69 Q HN 0.477 nan 8.270 nan 0.000 0.401 70 Y N 1.123 121.598 120.300 0.292 0.000 2.610 70 Y HA 0.365 4.915 4.550 -0.001 0.000 0.332 70 Y C -1.089 174.978 175.900 0.279 0.000 1.201 70 Y CA 0.285 58.587 58.100 0.337 0.000 1.465 70 Y CB 0.886 39.661 38.460 0.524 0.000 1.283 70 Y HN 0.438 nan 8.280 nan 0.000 0.563 71 V N 6.745 126.365 119.914 -0.491 0.000 2.417 71 V HA 0.127 4.247 4.120 -0.001 0.000 0.291 71 V C -0.628 175.135 176.094 -0.551 0.000 1.024 71 V CA -1.041 61.056 62.300 -0.339 0.000 0.861 71 V CB 1.490 33.217 31.823 -0.160 0.000 0.985 71 V HN 0.780 nan 8.190 nan 0.000 0.436 72 D N 3.829 124.125 120.400 -0.174 0.000 2.358 72 D HA 0.111 4.750 4.640 -0.001 0.000 0.258 72 D C 0.573 176.905 176.300 0.055 0.000 1.223 72 D CA 0.332 54.352 54.000 0.034 0.000 0.886 72 D CB 0.808 41.777 40.800 0.282 0.000 1.120 72 D HN 0.675 nan 8.370 nan 0.000 0.482 73 E N 2.663 122.873 120.200 0.018 0.000 2.734 73 E HA -0.032 4.318 4.350 -0.001 0.000 0.211 73 E C 0.763 177.346 176.600 -0.029 0.000 0.991 73 E CA -0.161 56.248 56.400 0.015 0.000 1.065 73 E CB 0.674 30.361 29.700 -0.021 0.000 1.047 73 E HN 0.376 nan 8.360 nan 0.000 0.470 74 Q N 0.084 119.842 119.800 -0.069 0.000 2.170 74 Q HA -0.075 4.265 4.340 -0.001 0.000 0.203 74 Q C -0.206 175.357 176.000 -0.728 0.000 0.976 74 Q CA 1.377 56.903 55.803 -0.460 0.000 0.858 74 Q CB 0.182 28.497 28.738 -0.706 0.000 0.907 74 Q HN 0.138 nan 8.270 nan 0.000 0.433 75 F N 0.346 120.366 119.950 0.116 0.000 2.622 75 F HA 0.419 4.946 4.527 -0.001 0.000 0.338 75 F C -2.243 173.638 175.800 0.136 0.000 1.334 75 F CA -3.029 55.021 58.000 0.084 0.000 1.179 75 F CB 1.094 40.139 39.000 0.076 0.000 1.471 75 F HN -0.136 nan 8.300 nan 0.000 0.576 76 P HA 0.142 nan 4.420 nan 0.000 0.260 76 P C 1.030 178.420 177.300 0.150 0.000 1.172 76 P CA 1.401 64.582 63.100 0.135 0.000 0.760 76 P CB 0.652 32.395 31.700 0.072 0.000 0.773 77 G N 2.772 111.647 108.800 0.125 0.000 2.253 77 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.251 77 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.251 77 G C 0.069 175.040 174.900 0.117 0.000 0.998 77 G CA -0.400 44.755 45.100 0.092 0.000 0.621 77 G HN 0.535 nan 8.290 nan 0.000 0.524 78 F N 3.345 123.298 119.950 0.006 0.000 2.472 78 F HA 0.497 5.024 4.527 -0.001 0.000 0.364 78 F C 1.732 177.478 175.800 -0.090 0.000 1.090 78 F CA 0.015 57.969 58.000 -0.077 0.000 1.188 78 F CB 1.122 40.069 39.000 -0.088 0.000 1.105 78 F HN 0.259 nan 8.300 nan 0.000 0.536 79 S N 3.426 118.732 115.700 -0.657 0.000 2.399 79 S HA -0.108 4.362 4.470 -0.001 0.000 0.231 79 S C 2.225 176.437 174.600 -0.647 0.000 1.022 79 S CA 0.913 58.780 58.200 -0.556 0.000 0.983 79 S CB -1.206 61.708 63.200 -0.478 0.000 0.803 79 S HN 0.820 nan 8.310 nan 0.000 0.480 80 G N 1.628 109.603 108.800 -1.375 0.000 2.450 80 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.220 80 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.220 80 G C 1.719 176.856 174.900 0.394 0.000 1.130 80 G CA 1.378 45.977 45.100 -0.835 0.000 0.760 80 G HN 0.810 nan 8.290 nan 0.000 0.557 81 S N -0.208 115.741 115.700 0.415 0.000 2.502 81 S HA 0.119 4.589 4.470 -0.001 0.000 0.228 81 S C 1.805 176.693 174.600 0.480 0.000 1.061 81 S CA 0.615 59.336 58.200 0.868 0.000 0.935 81 S CB -0.093 63.736 63.200 1.049 0.000 0.809 81 S HN 0.456 nan 8.310 nan 0.000 0.510 82 E N 2.197 122.523 120.200 0.209 0.000 2.268 82 E HA -0.093 4.257 4.350 -0.001 0.000 0.195 82 E C 1.991 178.553 176.600 -0.064 0.000 0.995 82 E CA 1.276 57.722 56.400 0.076 0.000 0.836 82 E CB -0.528 29.182 29.700 0.016 0.000 0.763 82 E HN 0.837 nan 8.360 nan 0.000 0.491 83 M N -1.910 117.566 119.600 -0.207 0.000 2.549 83 M HA -0.046 4.433 4.480 -0.001 0.000 0.260 83 M C 1.011 176.920 176.300 -0.650 0.000 1.076 83 M CA 1.341 56.349 55.300 -0.487 0.000 1.090 83 M CB -0.321 31.874 32.600 -0.674 0.000 1.418 83 M HN 0.022 nan 8.290 nan 0.000 0.486 84 W N 0.700 121.956 121.300 -0.072 0.000 3.013 84 W HA 0.293 4.953 4.660 -0.001 0.000 0.280 84 W C 0.452 176.892 176.519 -0.132 0.000 1.249 84 W CA -0.872 56.395 57.345 -0.129 0.000 1.577 84 W CB -0.039 29.374 29.460 -0.078 0.000 1.057 84 W HN 0.093 nan 8.180 nan 0.000 0.613 85 N N 1.510 120.255 118.700 0.076 0.000 2.467 85 N HA 0.137 4.876 4.740 -0.001 0.000 0.262 85 N C -2.462 173.009 175.510 -0.065 0.000 1.234 85 N CA -1.363 51.697 53.050 0.017 0.000 0.952 85 N CB -0.275 38.227 38.487 0.025 0.000 1.158 85 N HN -0.356 nan 8.380 nan 0.000 0.463 86 P HA 0.043 nan 4.420 nan 0.000 0.264 86 P C 0.256 177.496 177.300 -0.101 0.000 1.193 86 P CA 0.075 63.111 63.100 -0.107 0.000 0.763 86 P CB 0.299 31.947 31.700 -0.088 0.000 0.810 87 N N 2.335 120.961 118.700 -0.123 0.000 2.187 87 N HA 0.075 4.815 4.740 -0.001 0.000 0.212 87 N C 0.154 175.618 175.510 -0.077 0.000 1.152 87 N CA 0.083 53.072 53.050 -0.102 0.000 0.872 87 N CB 0.374 38.788 38.487 -0.122 0.000 1.025 87 N HN 0.155 nan 8.380 nan 0.000 0.514 88 R N -0.336 120.114 120.500 -0.083 0.000 2.888 88 R HA 0.300 4.639 4.340 -0.001 0.000 0.264 88 R C -0.863 175.399 176.300 -0.063 0.000 1.045 88 R CA -0.672 55.390 56.100 -0.062 0.000 0.962 88 R CB 0.952 31.212 30.300 -0.066 0.000 1.210 88 R HN 0.092 nan 8.270 nan 0.000 0.479 89 E N 1.080 121.247 120.200 -0.055 0.000 2.415 89 E HA 0.110 4.459 4.350 -0.001 0.000 0.262 89 E C 0.012 176.573 176.600 -0.064 0.000 1.038 89 E CA 0.122 56.489 56.400 -0.055 0.000 0.921 89 E CB 0.501 30.171 29.700 -0.051 0.000 0.950 89 E HN 0.310 nan 8.360 nan 0.000 0.438 90 M N 2.465 122.026 119.600 -0.065 0.000 2.314 90 M HA 0.423 4.902 4.480 -0.001 0.000 0.342 90 M C 0.088 176.335 176.300 -0.088 0.000 1.171 90 M CA -0.042 55.211 55.300 -0.080 0.000 1.098 90 M CB 1.753 34.305 32.600 -0.079 0.000 1.559 90 M HN 0.530 nan 8.290 nan 0.000 0.459 91 S N 0.372 116.006 115.700 -0.109 0.000 2.552 91 S HA 0.223 4.693 4.470 -0.001 0.000 0.272 91 S C -0.065 174.440 174.600 -0.159 0.000 1.150 91 S CA -0.685 57.446 58.200 -0.115 0.000 0.849 91 S CB 1.442 64.603 63.200 -0.065 0.000 1.113 91 S HN 0.830 nan 8.310 nan 0.000 0.458 92 E N 0.859 120.944 120.200 -0.191 0.000 2.347 92 E HA -0.053 4.296 4.350 -0.001 0.000 0.196 92 E C -0.306 176.220 176.600 -0.123 0.000 1.008 92 E CA 0.414 56.677 56.400 -0.229 0.000 0.852 92 E CB 0.113 29.675 29.700 -0.230 0.000 0.783 92 E HN 0.498 nan 8.360 nan 0.000 0.505 93 D N 0.571 120.935 120.400 -0.059 0.000 2.517 93 D HA -0.001 4.639 4.640 -0.001 0.000 0.220 93 D C 0.023 176.399 176.300 0.127 0.000 1.158 93 D CA -0.255 53.755 54.000 0.017 0.000 0.992 93 D CB -0.043 40.791 40.800 0.057 0.000 1.058 93 D HN 0.146 nan 8.370 nan 0.000 0.516 94 c N 2.305 120.945 118.600 0.066 0.000 3.626 94 c HA 0.399 4.968 4.570 -0.001 0.000 0.276 94 c C 0.562 174.712 174.090 0.100 0.000 1.694 94 c CA -0.694 55.733 56.329 0.165 0.000 1.785 94 c CB -1.280 41.254 42.510 0.041 0.000 3.152 94 c HN 0.397 nan 8.230 nan 0.000 0.571 95 L N 2.612 123.646 121.223 -0.315 0.000 2.375 95 L HA 0.450 4.790 4.340 -0.001 0.000 0.276 95 L C -0.913 175.210 176.870 -1.246 0.000 1.162 95 L CA 0.431 54.844 54.840 -0.711 0.000 0.991 95 L CB -0.521 40.978 42.059 -0.933 0.000 1.315 95 L HN 0.364 nan 8.230 nan 0.000 0.431 96 Y N 2.246 122.403 120.300 -0.238 0.000 2.609 96 Y HA 0.669 5.218 4.550 -0.001 0.000 0.342 96 Y C -0.169 175.887 175.900 0.260 0.000 1.058 96 Y CA -1.267 56.789 58.100 -0.073 0.000 1.055 96 Y CB 1.943 40.369 38.460 -0.058 0.000 1.292 96 Y HN 0.221 nan 8.280 nan 0.000 0.476 97 L N -0.218 121.190 121.223 0.309 0.000 2.327 97 L HA 0.785 5.125 4.340 -0.001 0.000 0.258 97 L C -1.287 175.643 176.870 0.100 0.000 1.024 97 L CA -1.097 53.862 54.840 0.198 0.000 0.825 97 L CB 1.851 43.941 42.059 0.052 0.000 1.386 97 L HN 0.469 nan 8.230 nan 0.000 0.417 98 N N 1.414 120.174 118.700 0.101 0.000 2.238 98 N HA 0.720 5.460 4.740 -0.001 0.000 0.302 98 N C -1.349 174.095 175.510 -0.110 0.000 1.072 98 N CA -0.229 52.791 53.050 -0.051 0.000 0.792 98 N CB 2.754 41.211 38.487 -0.050 0.000 1.425 98 N HN 0.645 nan 8.380 nan 0.000 0.478 99 I N 0.470 120.893 120.570 -0.245 0.000 2.533 99 I HA 0.389 4.558 4.170 -0.001 0.000 0.290 99 I C -0.773 175.282 176.117 -0.103 0.000 1.056 99 I CA -0.713 60.538 61.300 -0.082 0.000 1.057 99 I CB 2.272 40.167 38.000 -0.175 0.000 1.240 99 I HN 0.241 nan 8.210 nan 0.000 0.423 100 W N 5.855 127.293 121.300 0.230 0.000 2.417 100 W HA 0.578 5.238 4.660 -0.001 0.000 0.315 100 W C -1.008 175.656 176.519 0.241 0.000 1.045 100 W CA -0.638 56.840 57.345 0.222 0.000 1.221 100 W CB 2.112 31.672 29.460 0.167 0.000 1.309 100 W HN 0.086 nan 8.180 nan 0.000 0.453 101 V N 5.201 125.385 119.914 0.450 0.000 2.487 101 V HA 0.290 4.409 4.120 -0.001 0.000 0.298 101 V C -2.008 174.283 176.094 0.328 0.000 1.028 101 V CA -2.368 60.167 62.300 0.392 0.000 0.860 101 V CB 1.956 34.070 31.823 0.484 0.000 0.991 101 V HN 0.254 nan 8.190 nan 0.000 0.427 102 P HA 0.125 nan 4.420 nan 0.000 0.269 102 P C -0.585 176.848 177.300 0.221 0.000 1.217 102 P CA 0.179 63.422 63.100 0.239 0.000 0.783 102 P CB 0.548 32.358 31.700 0.182 0.000 0.898 103 S N 1.351 117.177 115.700 0.210 0.000 2.561 103 S HA 0.551 5.020 4.470 -0.001 0.000 0.303 103 S C -2.465 172.224 174.600 0.149 0.000 1.110 103 S CA -1.547 56.757 58.200 0.173 0.000 1.034 103 S CB 0.132 63.431 63.200 0.165 0.000 1.010 103 S HN 0.249 nan 8.310 nan 0.000 0.482 104 P HA 0.177 nan 4.420 nan 0.000 0.272 104 P C -0.506 176.869 177.300 0.125 0.000 1.230 104 P CA -0.581 62.585 63.100 0.110 0.000 0.788 104 P CB 0.408 32.158 31.700 0.083 0.000 0.949 105 R N 2.697 123.278 120.500 0.134 0.000 2.502 105 R HA 0.075 4.415 4.340 -0.001 0.000 0.292 105 R C -1.714 174.655 176.300 0.115 0.000 0.998 105 R CA -0.876 55.313 56.100 0.149 0.000 1.056 105 R CB -0.133 30.257 30.300 0.150 0.000 0.939 105 R HN 0.416 nan 8.270 nan 0.000 0.411 106 P HA 0.076 nan 4.420 nan 0.000 0.275 106 P C -0.568 176.772 177.300 0.067 0.000 1.266 106 P CA -0.346 62.806 63.100 0.086 0.000 0.793 106 P CB 0.806 32.560 31.700 0.090 0.000 1.074 107 K N -0.480 119.947 120.400 0.044 0.000 2.141 107 K HA 0.115 4.435 4.320 -0.001 0.000 0.202 107 K C 0.857 177.462 176.600 0.007 0.000 1.045 107 K CA 0.955 57.256 56.287 0.024 0.000 0.971 107 K CB -0.440 32.069 32.500 0.016 0.000 0.795 107 K HN 0.427 nan 8.250 nan 0.000 0.459 108 S N 0.993 116.698 115.700 0.009 0.000 2.592 108 S HA 0.172 4.642 4.470 -0.001 0.000 0.151 108 S C -1.017 173.586 174.600 0.005 0.000 1.280 108 S CA -0.370 57.826 58.200 -0.007 0.000 1.187 108 S CB 0.345 63.529 63.200 -0.026 0.000 1.471 108 S HN 0.149 nan 8.310 nan 0.000 0.409 109 T N 1.788 116.357 114.554 0.024 0.000 2.937 109 T HA 0.581 4.930 4.350 -0.001 0.000 0.283 109 T C 0.107 174.824 174.700 0.028 0.000 1.012 109 T CA -0.083 62.035 62.100 0.029 0.000 0.997 109 T CB 1.210 70.106 68.868 0.048 0.000 1.136 109 T HN 0.445 nan 8.240 nan 0.000 0.551 110 T N 2.147 116.713 114.554 0.021 0.000 2.934 110 T HA 0.305 4.655 4.350 -0.001 0.000 0.306 110 T C -0.308 174.419 174.700 0.045 0.000 1.042 110 T CA -0.125 61.985 62.100 0.016 0.000 1.145 110 T CB 0.146 69.012 68.868 -0.003 0.000 0.982 110 T HN 0.391 nan 8.240 nan 0.000 0.544 111 V N 5.150 125.095 119.914 0.052 0.000 2.555 111 V HA 0.524 4.643 4.120 -0.001 0.000 0.302 111 V C -0.038 176.119 176.094 0.105 0.000 1.038 111 V CA -0.773 61.582 62.300 0.092 0.000 0.887 111 V CB 1.758 33.638 31.823 0.095 0.000 0.991 111 V HN 0.834 nan 8.190 nan 0.000 0.434 112 M N 4.416 124.109 119.600 0.155 0.000 2.259 112 M HA 0.583 5.062 4.480 -0.001 0.000 0.304 112 M C -1.370 175.179 176.300 0.414 0.000 1.019 112 M CA -0.680 54.742 55.300 0.203 0.000 0.922 112 M CB 2.340 34.953 32.600 0.022 0.000 1.600 112 M HN 0.349 nan 8.290 nan 0.000 0.433 113 V N 2.980 123.180 119.914 0.477 0.000 2.378 113 V HA 0.339 4.458 4.120 -0.001 0.000 0.288 113 V C -0.821 175.544 176.094 0.452 0.000 1.016 113 V CA -0.635 61.911 62.300 0.411 0.000 0.840 113 V CB 1.555 33.495 31.823 0.195 0.000 0.994 113 V HN 0.863 nan 8.190 nan 0.000 0.431 114 W N 6.974 128.347 121.300 0.122 0.000 2.316 114 W HA 0.624 5.283 4.660 -0.001 0.000 0.311 114 W C -1.293 175.110 176.519 -0.193 0.000 1.217 114 W CA -0.692 56.465 57.345 -0.313 0.000 1.199 114 W CB 1.157 30.463 29.460 -0.257 0.000 1.202 114 W HN 0.438 nan 8.180 nan 0.000 0.528 115 I N 9.145 129.091 120.570 -1.039 0.000 2.382 115 I HA 0.063 4.233 4.170 -0.001 0.000 0.285 115 I C -0.265 175.088 176.117 -1.274 0.000 1.007 115 I CA -1.121 59.654 61.300 -0.875 0.000 1.142 115 I CB 0.712 38.367 38.000 -0.575 0.000 1.289 115 I HN 0.298 nan 8.210 nan 0.000 0.453 116 Y N 4.678 124.506 120.300 -0.786 0.000 2.457 116 Y HA 0.652 5.202 4.550 -0.001 0.000 0.341 116 Y C 0.720 176.461 175.900 -0.266 0.000 1.240 116 Y CA -0.799 56.959 58.100 -0.571 0.000 1.437 116 Y CB -0.050 38.330 38.460 -0.135 0.000 1.328 116 Y HN 0.515 nan 8.280 nan 0.000 0.588 117 G N -0.787 108.043 108.800 0.050 0.000 2.671 117 G HA2 0.507 4.466 3.960 -0.001 0.000 0.275 117 G HA3 0.507 4.466 3.960 -0.001 0.000 0.275 117 G C 0.220 175.086 174.900 -0.055 0.000 1.368 117 G CA -0.957 44.104 45.100 -0.065 0.000 1.044 117 G HN 1.700 nan 8.290 nan 0.000 0.543 118 G N -2.790 105.822 108.800 -0.313 0.000 2.321 118 G HA2 0.414 4.373 3.960 -0.001 0.000 0.219 118 G HA3 0.414 4.373 3.960 -0.001 0.000 0.219 118 G C 1.016 175.381 174.900 -0.892 0.000 1.057 118 G CA 0.718 45.495 45.100 -0.540 0.000 0.849 118 G HN 2.296 nan 8.290 nan 0.000 0.520 119 G N -0.433 107.880 108.800 -0.812 0.000 2.233 119 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.270 119 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.270 119 G C 0.941 175.633 174.900 -0.346 0.000 1.011 119 G CA 0.836 45.340 45.100 -0.994 0.000 0.762 119 G HN 1.735 nan 8.290 nan 0.000 0.511 120 F N -3.512 116.355 119.950 -0.138 0.000 2.825 120 F HA -0.317 4.209 4.527 -0.001 0.000 0.358 120 F C 1.493 177.387 175.800 0.157 0.000 0.639 120 F CA 2.159 60.185 58.000 0.042 0.000 1.153 120 F CB -2.052 36.845 39.000 -0.173 0.000 1.610 120 F HN 0.893 nan 8.300 nan 0.000 0.305 121 Y N -0.941 119.427 120.300 0.113 0.000 2.445 121 Y HA 0.662 5.211 4.550 -0.001 0.000 0.247 121 Y C 0.637 176.623 175.900 0.143 0.000 1.129 121 Y CA 0.252 58.429 58.100 0.129 0.000 1.251 121 Y CB 0.008 38.447 38.460 -0.035 0.000 1.176 121 Y HN 0.101 nan 8.280 nan 0.000 0.522 122 S N -0.804 114.675 115.700 -0.368 0.000 2.672 122 S HA 0.887 5.356 4.470 -0.001 0.000 0.271 122 S C -0.277 174.168 174.600 -0.257 0.000 1.171 122 S CA -0.491 57.550 58.200 -0.265 0.000 0.817 122 S CB 1.455 64.432 63.200 -0.372 0.000 1.150 122 S HN 1.289 nan 8.310 nan 0.000 0.478 123 G N -0.309 108.311 108.800 -0.301 0.000 2.453 123 G HA2 0.435 4.395 3.960 -0.001 0.000 0.665 123 G HA3 0.435 4.395 3.960 -0.001 0.000 0.665 123 G C -1.096 173.184 174.900 -1.033 0.000 1.411 123 G CA -0.311 44.447 45.100 -0.570 0.000 0.889 123 G HN 1.346 nan 8.290 nan 0.000 0.651 124 S N -0.866 114.195 115.700 -1.065 0.000 2.541 124 S HA 0.688 5.158 4.470 -0.001 0.000 0.271 124 S C 0.939 175.339 174.600 -0.333 0.000 1.133 124 S CA 0.080 57.854 58.200 -0.710 0.000 0.876 124 S CB 1.818 64.822 63.200 -0.327 0.000 1.105 124 S HN 1.926 nan 8.310 nan 0.000 0.470 125 S N -0.086 115.610 115.700 -0.006 0.000 2.528 125 S HA -0.049 4.421 4.470 -0.001 0.000 0.219 125 S C 1.374 176.061 174.600 0.145 0.000 0.985 125 S CA 0.838 59.245 58.200 0.346 0.000 0.914 125 S CB -0.587 62.860 63.200 0.412 0.000 0.776 125 S HN 0.839 nan 8.310 nan 0.000 0.526 126 T N 0.240 114.679 114.554 -0.191 0.000 3.086 126 T HA 0.397 4.746 4.350 -0.001 0.000 0.250 126 T C 0.515 174.960 174.700 -0.426 0.000 1.074 126 T CA -0.538 61.163 62.100 -0.666 0.000 0.988 126 T CB -0.617 67.721 68.868 -0.883 0.000 0.988 126 T HN 0.321 nan 8.240 nan 0.000 0.530 127 L N 2.100 123.146 121.223 -0.295 0.000 2.506 127 L HA 0.133 4.472 4.340 -0.001 0.000 0.281 127 L C 1.306 177.950 176.870 -0.377 0.000 1.228 127 L CA -0.447 54.129 54.840 -0.439 0.000 0.850 127 L CB 0.333 41.904 42.059 -0.813 0.000 1.110 127 L HN 0.098 nan 8.230 nan 0.000 0.496 128 D N 1.411 121.616 120.400 -0.324 0.000 2.182 128 D HA -0.156 4.483 4.640 -0.001 0.000 0.201 128 D C 1.926 178.048 176.300 -0.298 0.000 0.986 128 D CA 1.021 54.893 54.000 -0.213 0.000 0.847 128 D CB 0.160 40.845 40.800 -0.191 0.000 0.942 128 D HN 0.414 nan 8.370 nan 0.000 0.467 129 V N 0.268 119.860 119.914 -0.536 0.000 3.141 129 V HA -0.197 3.923 4.120 -0.001 0.000 0.265 129 V C 0.647 176.320 176.094 -0.702 0.000 1.126 129 V CA 1.123 63.067 62.300 -0.594 0.000 1.141 129 V CB -0.504 30.852 31.823 -0.778 0.000 0.743 129 V HN 0.136 nan 8.190 nan 0.000 0.492 130 Y N -0.578 119.313 120.300 -0.682 0.000 2.555 130 Y HA 0.412 4.962 4.550 -0.001 0.000 0.259 130 Y C 0.977 176.530 175.900 -0.577 0.000 1.179 130 Y CA -1.477 55.969 58.100 -1.089 0.000 1.230 130 Y CB -0.926 37.170 38.460 -0.607 0.000 1.146 130 Y HN 0.205 nan 8.280 nan 0.000 0.526 131 N N 1.505 120.086 118.700 -0.199 0.000 2.429 131 N HA -0.024 4.715 4.740 -0.001 0.000 0.271 131 N C 1.309 176.533 175.510 -0.476 0.000 1.272 131 N CA 0.589 53.505 53.050 -0.222 0.000 0.921 131 N CB 1.111 39.557 38.487 -0.068 0.000 1.128 131 N HN 0.488 nan 8.380 nan 0.000 0.481 132 G N 3.296 111.262 108.800 -1.391 0.000 2.848 132 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.208 132 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.208 132 G C 1.426 175.720 174.900 -1.010 0.000 1.152 132 G CA 0.310 44.769 45.100 -1.070 0.000 0.789 132 G HN 0.751 nan 8.290 nan 0.000 0.531 133 K N -0.474 119.182 120.400 -1.240 0.000 2.097 133 K HA -0.132 4.187 4.320 -0.001 0.000 0.206 133 K C 1.721 178.109 176.600 -0.353 0.000 1.049 133 K CA 1.065 56.959 56.287 -0.654 0.000 0.933 133 K CB -0.486 31.690 32.500 -0.541 0.000 0.717 133 K HN 0.305 nan 8.250 nan 0.000 0.442 134 Y N 1.181 121.412 120.300 -0.115 0.000 2.163 134 Y HA -0.120 4.430 4.550 -0.001 0.000 0.288 134 Y C 2.338 178.238 175.900 0.001 0.000 1.136 134 Y CA 0.692 58.784 58.100 -0.015 0.000 1.147 134 Y CB -0.633 37.792 38.460 -0.058 0.000 0.987 134 Y HN 0.026 nan 8.280 nan 0.000 0.509 135 L N 0.187 121.446 121.223 0.060 0.000 2.056 135 L HA -0.057 4.283 4.340 -0.001 0.000 0.207 135 L C 2.367 179.252 176.870 0.025 0.000 1.078 135 L CA 1.891 56.719 54.840 -0.019 0.000 0.749 135 L CB -1.187 40.775 42.059 -0.163 0.000 0.901 135 L HN 0.144 nan 8.230 nan 0.000 0.433 136 A N -1.368 121.483 122.820 0.051 0.000 1.877 136 A HA -0.291 4.028 4.320 -0.001 0.000 0.216 136 A C 2.307 179.985 177.584 0.156 0.000 1.186 136 A CA 1.937 54.054 52.037 0.133 0.000 0.620 136 A CB -1.182 17.956 19.000 0.231 0.000 0.822 136 A HN 0.620 nan 8.150 nan 0.000 0.443 137 Y N 1.199 121.527 120.300 0.046 0.000 2.133 137 Y HA -0.148 4.402 4.550 -0.001 0.000 0.287 137 Y C 2.635 178.565 175.900 0.051 0.000 1.134 137 Y CA 2.297 60.429 58.100 0.053 0.000 1.133 137 Y CB -0.832 37.646 38.460 0.030 0.000 0.987 137 Y HN 0.292 nan 8.280 nan 0.000 0.502 138 T N 0.439 114.935 114.554 -0.098 0.000 2.708 138 T HA -0.127 4.223 4.350 -0.001 0.000 0.266 138 T C 1.360 175.983 174.700 -0.128 0.000 1.037 138 T CA 1.731 63.718 62.100 -0.189 0.000 1.146 138 T CB -0.130 68.726 68.868 -0.020 0.000 0.865 138 T HN 0.308 nan 8.240 nan 0.000 0.435 139 E N 0.633 120.811 120.200 -0.037 0.000 2.474 139 E HA 0.088 4.438 4.350 -0.001 0.000 0.195 139 E C 0.082 176.688 176.600 0.011 0.000 1.039 139 E CA 0.041 56.448 56.400 0.012 0.000 0.881 139 E CB 0.071 29.794 29.700 0.038 0.000 0.970 139 E HN 0.603 nan 8.360 nan 0.000 0.486 140 E N 0.062 120.260 120.200 -0.002 0.000 2.320 140 E HA -0.165 4.185 4.350 -0.001 0.000 0.234 140 E C -0.086 176.550 176.600 0.060 0.000 1.183 140 E CA 0.474 56.892 56.400 0.030 0.000 0.713 140 E CB -2.100 27.607 29.700 0.012 0.000 1.226 140 E HN 0.128 nan 8.360 nan 0.000 0.382 141 V N -3.788 116.173 119.914 0.079 0.000 2.960 141 V HA 0.677 4.796 4.120 -0.001 0.000 0.315 141 V C 0.427 176.608 176.094 0.144 0.000 1.087 141 V CA -1.105 61.248 62.300 0.089 0.000 0.982 141 V CB 2.281 34.141 31.823 0.061 0.000 1.039 141 V HN -0.026 nan 8.190 nan 0.000 0.437 142 V N 4.275 124.281 119.914 0.153 0.000 2.408 142 V HA 0.314 4.434 4.120 -0.001 0.000 0.267 142 V C -0.006 176.228 176.094 0.233 0.000 1.047 142 V CA -0.298 62.124 62.300 0.204 0.000 0.937 142 V CB 1.025 32.952 31.823 0.173 0.000 0.999 142 V HN 0.765 nan 8.190 nan 0.000 0.472 143 L N 7.627 129.047 121.223 0.328 0.000 2.296 143 L HA 0.646 4.985 4.340 -0.001 0.000 0.286 143 L C -0.569 176.610 176.870 0.515 0.000 1.023 143 L CA 0.006 55.089 54.840 0.406 0.000 0.812 143 L CB 1.769 44.060 42.059 0.387 0.000 1.223 143 L HN 0.405 nan 8.230 nan 0.000 0.421 144 V N 3.864 124.049 119.914 0.452 0.000 2.604 144 V HA 0.582 4.701 4.120 -0.001 0.000 0.305 144 V C -0.042 176.334 176.094 0.469 0.000 1.043 144 V CA -0.592 61.943 62.300 0.393 0.000 0.888 144 V CB 2.153 34.117 31.823 0.236 0.000 0.995 144 V HN 0.911 nan 8.190 nan 0.000 0.429 145 S N 4.812 120.796 115.700 0.473 0.000 2.519 145 S HA 0.849 5.318 4.470 -0.001 0.000 0.309 145 S C -0.812 173.977 174.600 0.315 0.000 1.100 145 S CA -0.762 57.727 58.200 0.482 0.000 1.059 145 S CB 1.589 65.185 63.200 0.661 0.000 1.008 145 S HN 0.701 nan 8.310 nan 0.000 0.478 146 L N 0.795 122.140 121.223 0.204 0.000 2.492 146 L HA 1.008 5.347 4.340 -0.001 0.000 0.263 146 L C 0.084 177.102 176.870 0.246 0.000 1.062 146 L CA -0.720 54.203 54.840 0.139 0.000 0.817 146 L CB 0.455 42.467 42.059 -0.078 0.000 1.441 146 L HN 0.877 nan 8.230 nan 0.000 0.493 147 S N -1.554 114.350 115.700 0.340 0.000 2.627 147 S HA 0.901 5.371 4.470 -0.001 0.000 0.283 147 S C -1.294 173.564 174.600 0.429 0.000 1.127 147 S CA -0.524 57.913 58.200 0.396 0.000 0.863 147 S CB 1.568 65.033 63.200 0.441 0.000 1.121 147 S HN 1.205 nan 8.310 nan 0.000 0.479 148 Y N -1.813 118.608 120.300 0.201 0.000 2.604 148 Y HA 0.673 5.222 4.550 -0.001 0.000 0.331 148 Y C -0.795 175.232 175.900 0.213 0.000 1.158 148 Y CA -1.389 56.815 58.100 0.173 0.000 1.056 148 Y CB 0.665 39.176 38.460 0.085 0.000 1.330 148 Y HN 0.773 nan 8.280 nan 0.000 0.457 149 R N 1.868 122.498 120.500 0.216 0.000 2.537 149 R HA 0.519 4.858 4.340 -0.001 0.000 0.280 149 R C -0.180 176.277 176.300 0.261 0.000 1.058 149 R CA -0.104 56.080 56.100 0.140 0.000 1.057 149 R CB 0.828 31.177 30.300 0.083 0.000 0.973 149 R HN 0.693 nan 8.270 nan 0.000 0.438 150 V N -0.265 119.826 119.914 0.294 0.000 3.158 150 V HA 0.894 5.013 4.120 -0.001 0.000 0.315 150 V C 0.731 177.146 176.094 0.535 0.000 1.148 150 V CA -0.138 62.462 62.300 0.500 0.000 1.042 150 V CB 1.202 33.216 31.823 0.319 0.000 1.101 150 V HN 0.978 nan 8.190 nan 0.000 0.448 151 G N 0.589 109.749 108.800 0.601 0.000 2.575 151 G HA2 0.025 3.984 3.960 -0.001 0.000 0.267 151 G HA3 0.025 3.984 3.960 -0.001 0.000 0.267 151 G C 1.012 176.102 174.900 0.318 0.000 1.264 151 G CA 0.980 46.378 45.100 0.496 0.000 0.935 151 G HN 2.219 nan 8.290 nan 0.000 0.568 152 A N -1.319 121.394 122.820 -0.178 0.000 1.940 152 A HA 0.188 4.507 4.320 -0.001 0.000 0.219 152 A C 2.248 179.710 177.584 -0.202 0.000 1.176 152 A CA 2.599 54.188 52.037 -0.747 0.000 0.631 152 A CB -0.530 17.815 19.000 -1.090 0.000 0.814 152 A HN 0.988 nan 8.150 nan 0.000 0.446 153 F N -0.001 119.993 119.950 0.074 0.000 2.202 153 F HA -0.055 4.471 4.527 -0.001 0.000 0.301 153 F C 2.410 178.208 175.800 -0.005 0.000 1.082 153 F CA 1.288 59.294 58.000 0.011 0.000 1.313 153 F CB -0.551 38.417 39.000 -0.053 0.000 1.024 153 F HN 0.302 nan 8.300 nan 0.000 0.495 154 G N -2.789 106.084 108.800 0.123 0.000 2.944 154 G HA2 0.100 4.060 3.960 -0.001 0.000 0.220 154 G HA3 0.100 4.060 3.960 -0.001 0.000 0.220 154 G C 0.687 175.102 174.900 -0.808 0.000 1.100 154 G CA 0.058 44.980 45.100 -0.297 0.000 0.780 154 G HN 0.320 nan 8.290 nan 0.000 0.539 155 F N -0.370 119.666 119.950 0.143 0.000 2.899 155 F HA 0.429 4.956 4.527 -0.001 0.000 0.337 155 F C 0.360 176.213 175.800 0.088 0.000 1.129 155 F CA -0.995 57.069 58.000 0.106 0.000 1.128 155 F CB 0.423 39.502 39.000 0.131 0.000 1.154 155 F HN -0.081 nan 8.300 nan 0.000 0.531 156 L N 2.214 123.446 121.223 0.014 0.000 2.540 156 L HA 0.476 4.816 4.340 -0.001 0.000 0.276 156 L C 0.116 176.958 176.870 -0.047 0.000 1.212 156 L CA 0.249 54.992 54.840 -0.162 0.000 0.893 156 L CB 0.385 42.063 42.059 -0.635 0.000 1.138 156 L HN 0.149 nan 8.230 nan 0.000 0.491 157 A N 6.865 129.706 122.820 0.035 0.000 2.357 157 A HA 0.648 4.968 4.320 -0.001 0.000 0.295 157 A C -0.871 176.728 177.584 0.024 0.000 1.121 157 A CA -0.494 51.567 52.037 0.040 0.000 0.742 157 A CB 0.782 19.837 19.000 0.091 0.000 1.181 157 A HN 0.714 nan 8.150 nan 0.000 0.454 158 L N 3.547 124.775 121.223 0.010 0.000 2.502 158 L HA 0.234 4.573 4.340 -0.001 0.000 0.247 158 L C -0.054 176.852 176.870 0.060 0.000 1.180 158 L CA -0.766 54.082 54.840 0.014 0.000 0.956 158 L CB 0.424 42.457 42.059 -0.043 0.000 1.282 158 L HN 0.912 nan 8.230 nan 0.000 0.470 159 H N 1.633 120.703 119.070 -0.001 0.000 3.140 159 H HA 0.217 4.773 4.556 -0.001 0.000 0.316 159 H C 1.166 176.498 175.328 0.007 0.000 0.986 159 H CA 1.695 57.749 56.048 0.011 0.000 1.397 159 H CB 0.775 30.548 29.762 0.018 0.000 1.377 159 H HN 0.694 nan 8.280 nan 0.000 0.585 160 G N 2.639 111.172 108.800 -0.444 0.000 2.307 160 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.210 160 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.210 160 G C 0.362 175.172 174.900 -0.149 0.000 1.005 160 G CA 0.177 45.088 45.100 -0.315 0.000 0.634 160 G HN 0.895 nan 8.290 nan 0.000 0.496 161 S N 0.055 115.701 115.700 -0.090 0.000 2.541 161 S HA 0.616 5.086 4.470 -0.001 0.000 0.283 161 S C 0.988 175.574 174.600 -0.023 0.000 1.196 161 S CA -0.075 58.100 58.200 -0.042 0.000 1.062 161 S CB 1.531 64.716 63.200 -0.025 0.000 1.009 161 S HN 0.184 nan 8.310 nan 0.000 0.502 162 Q N 1.852 121.648 119.800 -0.007 0.000 2.356 162 Q HA 0.190 4.529 4.340 -0.001 0.000 0.205 162 Q C 0.916 176.934 176.000 0.031 0.000 0.901 162 Q CA 0.305 56.114 55.803 0.011 0.000 0.938 162 Q CB 0.256 29.000 28.738 0.009 0.000 1.081 162 Q HN 0.688 nan 8.270 nan 0.000 0.517 163 E N 0.370 120.591 120.200 0.034 0.000 2.190 163 E HA 0.097 4.447 4.350 -0.001 0.000 0.191 163 E C 0.146 176.800 176.600 0.090 0.000 0.978 163 E CA 0.470 56.908 56.400 0.064 0.000 0.839 163 E CB 0.572 30.312 29.700 0.067 0.000 0.787 163 E HN 0.111 nan 8.360 nan 0.000 0.473 164 A N 1.707 124.552 122.820 0.042 0.000 3.300 164 A HA 0.288 4.607 4.320 -0.001 0.000 0.300 164 A C -2.085 175.504 177.584 0.008 0.000 1.099 164 A CA -0.880 51.166 52.037 0.015 0.000 0.846 164 A CB 0.698 19.614 19.000 -0.141 0.000 1.255 164 A HN -0.115 nan 8.150 nan 0.000 0.519 165 P HA 0.152 nan 4.420 nan 0.000 0.225 165 P C 0.883 178.238 177.300 0.090 0.000 1.156 165 P CA 1.702 64.843 63.100 0.068 0.000 0.787 165 P CB 0.268 32.010 31.700 0.069 0.000 0.802 166 G N 0.685 109.518 108.800 0.056 0.000 2.663 166 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.686 166 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.686 166 G C -0.120 174.796 174.900 0.026 0.000 1.288 166 G CA -0.286 44.852 45.100 0.063 0.000 0.836 166 G HN 0.117 nan 8.290 nan 0.000 0.584 167 N N -2.383 116.335 118.700 0.031 0.000 2.778 167 N HA -0.289 4.450 4.740 -0.001 0.000 0.249 167 N C 1.950 177.326 175.510 -0.224 0.000 1.069 167 N CA 2.512 55.515 53.050 -0.078 0.000 0.831 167 N CB -1.660 36.716 38.487 -0.185 0.000 1.142 167 N HN 1.910 nan 8.380 nan 0.000 0.573 168 V N -2.796 116.975 119.914 -0.239 0.000 2.594 168 V HA -0.019 4.100 4.120 -0.001 0.000 0.253 168 V C 2.320 178.278 176.094 -0.227 0.000 1.069 168 V CA 2.293 64.492 62.300 -0.167 0.000 1.082 168 V CB -0.943 30.829 31.823 -0.085 0.000 0.680 168 V HN 0.282 nan 8.190 nan 0.000 0.469 169 G N 0.359 108.809 108.800 -0.584 0.000 2.408 169 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.217 169 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.217 169 G C 1.551 176.434 174.900 -0.029 0.000 1.150 169 G CA 1.077 45.973 45.100 -0.339 0.000 0.776 169 G HN 0.532 nan 8.290 nan 0.000 0.542 170 L N -0.152 121.018 121.223 -0.088 0.000 2.156 170 L HA 0.098 4.438 4.340 -0.001 0.000 0.208 170 L C 2.757 179.679 176.870 0.087 0.000 1.095 170 L CA 0.348 55.134 54.840 -0.090 0.000 0.770 170 L CB -0.220 41.499 42.059 -0.566 0.000 0.914 170 L HN 0.184 nan 8.230 nan 0.000 0.439 171 L N -0.747 120.513 121.223 0.062 0.000 2.217 171 L HA -0.166 4.174 4.340 -0.001 0.000 0.211 171 L C 2.054 179.015 176.870 0.151 0.000 1.107 171 L CA 0.631 55.570 54.840 0.164 0.000 0.783 171 L CB -0.521 41.612 42.059 0.123 0.000 0.919 171 L HN 0.254 nan 8.230 nan 0.000 0.442 172 D N 0.052 120.538 120.400 0.143 0.000 2.097 172 D HA -0.190 4.449 4.640 -0.001 0.000 0.195 172 D C 2.273 178.670 176.300 0.163 0.000 0.989 172 D CA 1.150 55.298 54.000 0.247 0.000 0.827 172 D CB -0.117 40.862 40.800 0.299 0.000 0.966 172 D HN 0.376 nan 8.370 nan 0.000 0.456 173 Q N 0.162 120.014 119.800 0.087 0.000 2.061 173 Q HA -0.143 4.197 4.340 -0.001 0.000 0.204 173 Q C 2.291 178.217 176.000 -0.124 0.000 0.984 173 Q CA 1.053 56.824 55.803 -0.054 0.000 0.846 173 Q CB -0.066 28.668 28.738 -0.008 0.000 0.902 173 Q HN 0.194 nan 8.270 nan 0.000 0.421 174 R N 0.636 121.150 120.500 0.023 0.000 2.081 174 R HA -0.142 4.198 4.340 -0.001 0.000 0.235 174 R C 2.219 178.505 176.300 -0.024 0.000 1.131 174 R CA 1.470 57.564 56.100 -0.010 0.000 0.960 174 R CB -0.179 30.212 30.300 0.152 0.000 0.856 174 R HN 0.280 nan 8.270 nan 0.000 0.436 175 M N -0.008 119.607 119.600 0.025 0.000 2.159 175 M HA -0.119 4.361 4.480 -0.001 0.000 0.263 175 M C 2.068 178.328 176.300 -0.066 0.000 1.063 175 M CA 1.955 57.298 55.300 0.072 0.000 1.110 175 M CB -0.028 32.710 32.600 0.230 0.000 1.374 175 M HN 0.320 nan 8.290 nan 0.000 0.411 176 A N 0.330 122.869 122.820 -0.469 0.000 1.930 176 A HA -0.094 4.226 4.320 -0.001 0.000 0.217 176 A C 1.968 179.431 177.584 -0.201 0.000 1.175 176 A CA 1.248 52.832 52.037 -0.754 0.000 0.627 176 A CB -0.899 17.378 19.000 -1.206 0.000 0.815 176 A HN 0.574 nan 8.150 nan 0.000 0.443 177 L N -1.002 120.127 121.223 -0.157 0.000 2.141 177 L HA -0.215 4.125 4.340 -0.001 0.000 0.209 177 L C 2.819 179.727 176.870 0.062 0.000 1.094 177 L CA 1.633 56.447 54.840 -0.045 0.000 0.763 177 L CB -0.435 41.558 42.059 -0.111 0.000 0.908 177 L HN 0.486 nan 8.230 nan 0.000 0.437 178 Q N -0.327 119.508 119.800 0.059 0.000 2.079 178 Q HA -0.249 4.091 4.340 -0.001 0.000 0.200 178 Q C 2.005 178.112 176.000 0.179 0.000 0.974 178 Q CA 1.841 57.706 55.803 0.102 0.000 0.840 178 Q CB -0.441 28.346 28.738 0.083 0.000 0.898 178 Q HN 0.460 nan 8.270 nan 0.000 0.430 179 W N -0.629 120.686 121.300 0.025 0.000 2.358 179 W HA -0.177 4.482 4.660 -0.001 0.000 0.303 179 W C 1.849 178.408 176.519 0.067 0.000 1.208 179 W CA 1.783 59.165 57.345 0.061 0.000 1.274 179 W CB -0.224 29.271 29.460 0.057 0.000 1.138 179 W HN 0.017 nan 8.180 nan 0.000 0.515 180 V N -0.195 119.918 119.914 0.332 0.000 2.343 180 V HA -0.364 3.756 4.120 -0.001 0.000 0.247 180 V C 2.160 178.288 176.094 0.056 0.000 1.051 180 V CA 2.448 64.871 62.300 0.204 0.000 1.036 180 V CB -1.350 30.583 31.823 0.183 0.000 0.654 180 V HN 0.325 nan 8.190 nan 0.000 0.451 181 H N 0.491 119.560 119.070 -0.003 0.000 2.352 181 H HA -0.166 4.389 4.556 -0.001 0.000 0.299 181 H C 1.936 177.201 175.328 -0.104 0.000 1.097 181 H CA 2.129 58.154 56.048 -0.039 0.000 1.311 181 H CB -0.020 29.732 29.762 -0.017 0.000 1.377 181 H HN 0.419 nan 8.280 nan 0.000 0.504 182 D N -0.863 119.485 120.400 -0.086 0.000 2.249 182 D HA -0.040 4.599 4.640 -0.001 0.000 0.205 182 D C 1.008 177.132 176.300 -0.293 0.000 0.962 182 D CA 0.668 54.557 54.000 -0.185 0.000 0.860 182 D CB 0.113 40.837 40.800 -0.126 0.000 0.955 182 D HN 0.508 nan 8.370 nan 0.000 0.505 183 N N -0.157 118.299 118.700 -0.407 0.000 2.193 183 N HA 0.032 4.772 4.740 -0.001 0.000 0.210 183 N C 1.495 176.944 175.510 -0.102 0.000 1.215 183 N CA -0.166 52.685 53.050 -0.332 0.000 0.901 183 N CB 1.063 39.001 38.487 -0.916 0.000 1.060 183 N HN 0.011 nan 8.380 nan 0.000 0.508 184 I N 3.170 123.682 120.570 -0.097 0.000 2.423 184 I HA -0.263 3.907 4.170 -0.001 0.000 0.254 184 I C 2.570 178.704 176.117 0.028 0.000 1.151 184 I CA 1.357 62.707 61.300 0.083 0.000 1.421 184 I CB -0.197 37.821 38.000 0.030 0.000 1.079 184 I HN 0.204 nan 8.210 nan 0.000 0.431 185 Q N -0.732 118.904 119.800 -0.274 0.000 2.181 185 Q HA -0.245 4.094 4.340 -0.001 0.000 0.205 185 Q C 1.849 177.627 176.000 -0.370 0.000 0.980 185 Q CA 1.770 57.340 55.803 -0.389 0.000 0.862 185 Q CB -0.848 27.514 28.738 -0.626 0.000 0.905 185 Q HN 0.430 nan 8.270 nan 0.000 0.429 186 F N -0.288 119.622 119.950 -0.065 0.000 2.558 186 F HA 0.109 4.636 4.527 -0.001 0.000 0.298 186 F C 0.939 176.539 175.800 -0.334 0.000 1.119 186 F CA 0.277 58.142 58.000 -0.224 0.000 1.451 186 F CB -0.066 38.721 39.000 -0.355 0.000 1.091 186 F HN 0.000 nan 8.300 nan 0.000 0.563 187 F N -0.545 119.417 119.950 0.020 0.000 2.664 187 F HA 0.417 4.943 4.527 -0.001 0.000 0.303 187 F C 1.779 177.594 175.800 0.026 0.000 1.092 187 F CA 0.309 58.301 58.000 -0.014 0.000 1.305 187 F CB -0.047 38.921 39.000 -0.054 0.000 1.054 187 F HN 0.037 nan 8.300 nan 0.000 0.565 188 G N 0.145 109.026 108.800 0.136 0.000 2.157 188 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.239 188 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.239 188 G C 0.583 175.529 174.900 0.076 0.000 0.982 188 G CA -0.282 44.873 45.100 0.092 0.000 0.650 188 G HN 0.719 nan 8.290 nan 0.000 0.527 189 G N -0.495 108.353 108.800 0.079 0.000 2.425 189 G HA2 0.505 4.464 3.960 -0.001 0.000 0.302 189 G HA3 0.505 4.464 3.960 -0.001 0.000 0.302 189 G C -0.821 174.069 174.900 -0.016 0.000 1.159 189 G CA 0.259 45.388 45.100 0.049 0.000 0.865 189 G HN 0.262 nan 8.290 nan 0.000 0.515 190 D N 1.237 121.627 120.400 -0.015 0.000 2.396 190 D HA 0.277 4.916 4.640 -0.001 0.000 0.225 190 D C -1.026 175.243 176.300 -0.051 0.000 1.121 190 D CA -2.418 51.553 54.000 -0.048 0.000 0.853 190 D CB 1.845 42.626 40.800 -0.032 0.000 1.043 190 D HN 0.061 nan 8.370 nan 0.000 0.500 191 P HA -0.115 nan 4.420 nan 0.000 0.228 191 P C 0.564 177.835 177.300 -0.048 0.000 1.151 191 P CA 0.581 63.610 63.100 -0.118 0.000 0.770 191 P CB 0.417 31.929 31.700 -0.313 0.000 0.786 192 K N -0.591 119.781 120.400 -0.047 0.000 2.404 192 K HA 0.144 4.464 4.320 -0.001 0.000 0.194 192 K C 0.432 177.028 176.600 -0.006 0.000 1.023 192 K CA 0.497 56.776 56.287 -0.014 0.000 1.094 192 K CB -0.003 32.477 32.500 -0.032 0.000 0.841 192 K HN 0.085 nan 8.250 nan 0.000 0.523 193 T N 1.095 115.648 114.554 -0.002 0.000 3.585 193 T HA 0.248 4.598 4.350 -0.001 0.000 0.252 193 T C -0.478 174.237 174.700 0.025 0.000 1.382 193 T CA -0.310 61.787 62.100 -0.005 0.000 1.584 193 T CB 0.690 69.544 68.868 -0.024 0.000 0.892 193 T HN -0.302 nan 8.240 nan 0.000 0.671 194 V N 1.998 121.954 119.914 0.070 0.000 2.394 194 V HA 0.505 4.625 4.120 -0.001 0.000 0.282 194 V C 0.324 176.513 176.094 0.158 0.000 1.031 194 V CA -0.434 61.937 62.300 0.118 0.000 0.881 194 V CB 1.740 33.659 31.823 0.159 0.000 0.982 194 V HN 0.514 nan 8.190 nan 0.000 0.451 195 T N 6.410 121.045 114.554 0.135 0.000 2.779 195 T HA 0.594 4.944 4.350 -0.001 0.000 0.280 195 T C -0.180 174.641 174.700 0.201 0.000 0.987 195 T CA -0.178 62.015 62.100 0.155 0.000 0.966 195 T CB 0.841 69.750 68.868 0.070 0.000 0.933 195 T HN 0.608 nan 8.240 nan 0.000 0.442 196 I N 1.746 122.408 120.570 0.153 0.000 2.385 196 I HA 0.868 5.037 4.170 -0.001 0.000 0.294 196 I C -0.830 175.458 176.117 0.285 0.000 0.988 196 I CA -0.985 60.392 61.300 0.127 0.000 1.265 196 I CB 0.908 38.763 38.000 -0.241 0.000 1.388 196 I HN 0.489 nan 8.210 nan 0.000 0.480 197 F N 3.059 123.044 119.950 0.058 0.000 2.613 197 F HA 1.015 5.542 4.527 -0.001 0.000 0.310 197 F C -0.416 175.374 175.800 -0.017 0.000 1.085 197 F CA -1.311 56.762 58.000 0.121 0.000 0.945 197 F CB 1.380 40.570 39.000 0.317 0.000 1.298 197 F HN 0.839 nan 8.300 nan 0.000 0.455 198 G N 0.854 109.552 108.800 -0.170 0.000 2.576 198 G HA2 0.480 4.440 3.960 -0.001 0.000 0.290 198 G HA3 0.480 4.440 3.960 -0.001 0.000 0.290 198 G C -2.542 172.171 174.900 -0.311 0.000 1.442 198 G CA -0.803 43.815 45.100 -0.804 0.000 0.792 198 G HN 0.867 nan 8.290 nan 0.000 0.491 199 E N 0.344 120.323 120.200 -0.369 0.000 2.212 199 E HA 0.628 4.978 4.350 -0.001 0.000 0.268 199 E C 0.784 177.345 176.600 -0.065 0.000 0.902 199 E CA 0.321 56.722 56.400 0.002 0.000 0.779 199 E CB 2.066 31.917 29.700 0.252 0.000 1.172 199 E HN 0.840 nan 8.360 nan 0.000 0.409 200 S N 2.918 118.643 115.700 0.040 0.000 4.138 200 S HA -0.406 4.064 4.470 -0.001 0.000 0.574 200 S C 1.501 176.175 174.600 0.123 0.000 1.895 200 S CA 2.363 60.647 58.200 0.140 0.000 4.239 200 S CB -1.610 61.627 63.200 0.061 0.000 0.264 200 S HN 0.947 nan 8.310 nan 0.000 0.489 201 A N 1.045 123.820 122.820 -0.075 0.000 2.024 201 A HA 0.163 4.483 4.320 -0.001 0.000 0.220 201 A C 2.427 179.773 177.584 -0.397 0.000 1.164 201 A CA 2.363 54.169 52.037 -0.385 0.000 0.643 201 A CB -1.471 16.933 19.000 -0.993 0.000 0.806 201 A HN 1.517 nan 8.150 nan 0.000 0.451 202 G N -0.775 107.845 108.800 -0.301 0.000 2.421 202 G HA2 0.115 4.074 3.960 -0.001 0.000 0.217 202 G HA3 0.115 4.074 3.960 -0.001 0.000 0.217 202 G C 1.437 176.171 174.900 -0.278 0.000 1.143 202 G CA 1.099 45.977 45.100 -0.370 0.000 0.784 202 G HN 0.644 nan 8.290 nan 0.000 0.541 203 G N 1.025 109.724 108.800 -0.168 0.000 2.394 203 G HA2 0.118 4.078 3.960 -0.001 0.000 0.215 203 G HA3 0.118 4.078 3.960 -0.001 0.000 0.215 203 G C 2.019 176.836 174.900 -0.139 0.000 1.165 203 G CA 1.368 46.401 45.100 -0.110 0.000 0.784 203 G HN 0.562 nan 8.290 nan 0.000 0.535 204 A N 0.868 123.634 122.820 -0.091 0.000 1.902 204 A HA 0.018 4.337 4.320 -0.001 0.000 0.217 204 A C 2.686 180.221 177.584 -0.081 0.000 1.181 204 A CA 2.220 54.185 52.037 -0.120 0.000 0.623 204 A CB -0.619 18.348 19.000 -0.055 0.000 0.818 204 A HN 0.294 nan 8.150 nan 0.000 0.443 205 S N -0.463 115.206 115.700 -0.051 0.000 2.368 205 S HA -0.140 4.330 4.470 -0.001 0.000 0.225 205 S C 1.902 176.435 174.600 -0.112 0.000 1.030 205 S CA 1.418 59.567 58.200 -0.084 0.000 0.999 205 S CB -0.481 62.626 63.200 -0.155 0.000 0.844 205 S HN 0.348 nan 8.310 nan 0.000 0.459 206 V N 1.573 121.426 119.914 -0.102 0.000 2.332 206 V HA -0.182 3.938 4.120 -0.001 0.000 0.248 206 V C 2.591 178.639 176.094 -0.077 0.000 1.055 206 V CA 2.022 64.269 62.300 -0.089 0.000 1.038 206 V CB -1.416 30.332 31.823 -0.125 0.000 0.651 206 V HN 0.603 nan 8.190 nan 0.000 0.450 207 G N -1.146 107.559 108.800 -0.159 0.000 2.422 207 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.218 207 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.218 207 G C 1.596 176.500 174.900 0.006 0.000 1.140 207 G CA 0.864 45.847 45.100 -0.194 0.000 0.775 207 G HN 0.450 nan 8.290 nan 0.000 0.545 208 M N -0.199 119.412 119.600 0.019 0.000 2.254 208 M HA 0.028 4.508 4.480 -0.001 0.000 0.265 208 M C 2.218 178.624 176.300 0.176 0.000 1.066 208 M CA 0.823 56.252 55.300 0.214 0.000 1.123 208 M CB -0.184 32.548 32.600 0.219 0.000 1.388 208 M HN 0.183 nan 8.290 nan 0.000 0.425 209 H N -0.276 118.912 119.070 0.197 0.000 2.470 209 H HA 0.071 4.626 4.556 -0.001 0.000 0.289 209 H C 2.073 177.601 175.328 0.332 0.000 1.033 209 H CA 1.162 57.319 56.048 0.182 0.000 1.331 209 H CB -0.098 29.662 29.762 -0.003 0.000 1.414 209 H HN 0.411 nan 8.280 nan 0.000 0.545 210 I N 0.376 121.212 120.570 0.443 0.000 2.315 210 I HA -0.222 3.947 4.170 -0.001 0.000 0.248 210 I C 2.159 178.517 176.117 0.401 0.000 1.117 210 I CA 0.803 62.413 61.300 0.517 0.000 1.404 210 I CB -0.028 38.225 38.000 0.423 0.000 1.071 210 I HN 0.114 nan 8.210 nan 0.000 0.419 211 L N -0.554 120.871 121.223 0.336 0.000 2.068 211 L HA -0.047 4.293 4.340 -0.001 0.000 0.204 211 L C 1.548 178.522 176.870 0.173 0.000 1.076 211 L CA 0.351 55.383 54.840 0.321 0.000 0.753 211 L CB -0.314 41.970 42.059 0.375 0.000 0.910 211 L HN 0.064 nan 8.230 nan 0.000 0.439 212 S N 0.156 115.867 115.700 0.018 0.000 2.481 212 S HA 0.078 4.547 4.470 -0.001 0.000 0.282 212 S C -1.489 172.985 174.600 -0.209 0.000 1.243 212 S CA -1.301 56.707 58.200 -0.320 0.000 1.078 212 S CB 0.829 63.375 63.200 -1.091 0.000 0.916 212 S HN -0.074 nan 8.310 nan 0.000 0.495 213 P HA -0.065 nan 4.420 nan 0.000 0.216 213 P C 1.391 178.605 177.300 -0.143 0.000 1.150 213 P CA 1.157 64.185 63.100 -0.119 0.000 0.843 213 P CB -0.086 31.551 31.700 -0.105 0.000 0.787 214 G N -1.667 106.999 108.800 -0.223 0.000 2.679 214 G HA2 -0.112 3.847 3.960 -0.001 0.000 0.212 214 G HA3 -0.112 3.847 3.960 -0.001 0.000 0.212 214 G C 1.313 176.134 174.900 -0.131 0.000 1.137 214 G CA 0.535 45.524 45.100 -0.186 0.000 0.787 214 G HN 0.236 nan 8.290 nan 0.000 0.534 215 S N -0.581 115.061 115.700 -0.096 0.000 2.539 215 S HA 0.124 4.593 4.470 -0.001 0.000 0.226 215 S C 2.158 176.851 174.600 0.155 0.000 1.054 215 S CA -0.449 57.798 58.200 0.078 0.000 0.910 215 S CB 0.248 63.622 63.200 0.290 0.000 0.818 215 S HN 0.331 nan 8.310 nan 0.000 0.490 216 R N 2.023 122.557 120.500 0.056 0.000 2.113 216 R HA -0.146 4.194 4.340 -0.001 0.000 0.244 216 R C 0.895 176.995 176.300 -0.334 0.000 1.142 216 R CA 1.831 57.861 56.100 -0.117 0.000 0.953 216 R CB -0.543 29.707 30.300 -0.084 0.000 0.860 216 R HN 0.296 nan 8.270 nan 0.000 0.438 217 D N 0.412 120.691 120.400 -0.202 0.000 2.371 217 D HA -0.050 4.590 4.640 -0.001 0.000 0.221 217 D C 1.449 177.613 176.300 -0.226 0.000 0.986 217 D CA 0.761 54.630 54.000 -0.217 0.000 0.899 217 D CB 0.022 40.716 40.800 -0.176 0.000 0.902 217 D HN 0.266 nan 8.370 nan 0.000 0.530 218 L N -0.391 120.747 121.223 -0.141 0.000 2.591 218 L HA 0.147 4.486 4.340 -0.001 0.000 0.228 218 L C 0.029 177.017 176.870 0.196 0.000 1.133 218 L CA -0.027 54.800 54.840 -0.021 0.000 0.880 218 L CB -0.283 41.799 42.059 0.040 0.000 1.033 218 L HN -0.041 nan 8.230 nan 0.000 0.450 219 F N -4.145 115.807 119.950 0.003 0.000 2.686 219 F HA 0.588 5.115 4.527 -0.001 0.000 0.311 219 F C 0.449 176.272 175.800 0.038 0.000 1.128 219 F CA -1.366 56.654 58.000 0.033 0.000 0.946 219 F CB 1.196 40.214 39.000 0.030 0.000 1.336 219 F HN -0.407 nan 8.300 nan 0.000 0.457 220 R N 0.572 121.148 120.500 0.127 0.000 2.087 220 R HA 0.487 4.827 4.340 -0.001 0.000 0.213 220 R C -0.126 176.226 176.300 0.087 0.000 1.137 220 R CA 0.935 57.044 56.100 0.016 0.000 1.022 220 R CB 0.308 30.617 30.300 0.014 0.000 0.920 220 R HN 0.814 nan 8.270 nan 0.000 0.451 221 R N -1.445 119.193 120.500 0.230 0.000 2.869 221 R HA 0.771 5.111 4.340 -0.001 0.000 0.263 221 R C -1.516 175.016 176.300 0.387 0.000 1.066 221 R CA -0.703 55.541 56.100 0.241 0.000 0.960 221 R CB 2.103 32.359 30.300 -0.074 0.000 1.221 221 R HN 0.181 nan 8.270 nan 0.000 0.474 222 A N 0.989 124.039 122.820 0.383 0.000 2.539 222 A HA 0.742 5.061 4.320 -0.001 0.000 0.296 222 A C -1.268 176.436 177.584 0.200 0.000 1.073 222 A CA -0.638 51.556 52.037 0.262 0.000 0.700 222 A CB 1.325 20.434 19.000 0.181 0.000 1.296 222 A HN 0.564 nan 8.150 nan 0.000 0.405 223 I N 1.454 122.096 120.570 0.120 0.000 2.466 223 I HA 0.385 4.554 4.170 -0.001 0.000 0.289 223 I C -1.514 174.651 176.117 0.080 0.000 1.026 223 I CA -0.576 60.725 61.300 0.001 0.000 1.078 223 I CB 1.934 39.909 38.000 -0.042 0.000 1.249 223 I HN 0.428 nan 8.210 nan 0.000 0.429 224 L N 6.616 127.854 121.223 0.024 0.000 2.319 224 L HA 0.446 4.786 4.340 -0.001 0.000 0.281 224 L C -0.486 176.461 176.870 0.128 0.000 1.005 224 L CA -0.243 54.614 54.840 0.028 0.000 0.828 224 L CB 1.562 43.561 42.059 -0.100 0.000 1.227 224 L HN 0.487 nan 8.230 nan 0.000 0.415 225 Q N 1.899 121.833 119.800 0.222 0.000 2.348 225 Q HA 0.464 4.804 4.340 -0.001 0.000 0.265 225 Q C 0.052 176.184 176.000 0.221 0.000 0.998 225 Q CA -0.566 55.443 55.803 0.343 0.000 0.831 225 Q CB 1.503 30.553 28.738 0.521 0.000 1.251 225 Q HN 0.646 nan 8.270 nan 0.000 0.456 226 S N 1.032 116.849 115.700 0.195 0.000 3.614 226 S HA -0.173 4.296 4.470 -0.001 0.000 0.360 226 S C 0.019 174.760 174.600 0.235 0.000 1.023 226 S CA 0.612 58.941 58.200 0.214 0.000 1.114 226 S CB -1.121 62.234 63.200 0.260 0.000 0.907 226 S HN 0.963 nan 8.310 nan 0.000 0.470 227 G N -0.715 108.164 108.800 0.133 0.000 2.655 227 G HA2 0.587 4.547 3.960 -0.001 0.000 0.296 227 G HA3 0.587 4.547 3.960 -0.001 0.000 0.296 227 G C -1.280 173.568 174.900 -0.087 0.000 1.485 227 G CA 0.239 45.417 45.100 0.129 0.000 0.869 227 G HN 0.516 nan 8.290 nan 0.000 0.540 228 S N 0.851 116.434 115.700 -0.196 0.000 2.564 228 S HA 0.783 5.253 4.470 -0.001 0.000 0.274 228 S C -1.772 172.560 174.600 -0.448 0.000 1.124 228 S CA -1.237 56.703 58.200 -0.434 0.000 0.869 228 S CB 2.431 65.410 63.200 -0.368 0.000 1.105 228 S HN 0.355 nan 8.310 nan 0.000 0.472 229 P HA -0.087 nan 4.420 nan 0.000 0.220 229 P C 0.543 177.629 177.300 -0.357 0.000 1.148 229 P CA 1.077 63.966 63.100 -0.351 0.000 0.803 229 P CB -0.239 31.314 31.700 -0.244 0.000 0.782 230 N N -0.823 117.697 118.700 -0.300 0.000 2.383 230 N HA -0.016 4.724 4.740 -0.001 0.000 0.192 230 N C 0.116 175.400 175.510 -0.377 0.000 1.141 230 N CA -0.179 52.719 53.050 -0.254 0.000 0.851 230 N CB -1.313 37.142 38.487 -0.052 0.000 0.976 230 N HN 0.032 nan 8.380 nan 0.000 0.465 231 C N 2.966 121.928 119.300 -0.564 0.000 2.634 231 C HA 0.066 4.525 4.460 -0.001 0.000 0.417 231 C C -0.091 174.402 174.990 -0.827 0.000 1.334 231 C CA -0.892 57.650 59.018 -0.794 0.000 1.829 231 C CB 1.057 28.022 27.740 -1.293 0.000 2.665 231 C HN 0.359 nan 8.230 nan 0.000 0.614 232 P HA -0.123 nan 4.420 nan 0.000 0.221 232 P C 1.192 178.274 177.300 -0.363 0.000 1.145 232 P CA 1.910 64.720 63.100 -0.484 0.000 0.795 232 P CB -0.083 31.333 31.700 -0.474 0.000 0.775 233 W N -1.327 119.828 121.300 -0.242 0.000 3.114 233 W HA 0.547 5.206 4.660 -0.001 0.000 0.279 233 W C 1.303 177.847 176.519 0.042 0.000 1.277 233 W CA 0.343 57.618 57.345 -0.117 0.000 1.630 233 W CB -1.109 28.297 29.460 -0.090 0.000 1.087 233 W HN -0.123 nan 8.180 nan 0.000 0.637 234 A N 1.504 123.939 122.820 -0.642 0.000 2.167 234 A HA 0.127 4.447 4.320 -0.001 0.000 0.214 234 A C 1.064 178.455 177.584 -0.322 0.000 1.151 234 A CA 1.296 53.061 52.037 -0.454 0.000 0.735 234 A CB -0.572 17.910 19.000 -0.862 0.000 0.802 234 A HN 0.245 nan 8.150 nan 0.000 0.467 235 S N -2.044 113.467 115.700 -0.315 0.000 2.588 235 S HA 0.644 5.113 4.470 -0.001 0.000 0.269 235 S C -0.786 173.679 174.600 -0.225 0.000 1.157 235 S CA -0.110 57.904 58.200 -0.310 0.000 0.824 235 S CB 1.331 64.285 63.200 -0.410 0.000 1.126 235 S HN 1.302 nan 8.310 nan 0.000 0.464 236 V N -1.147 118.653 119.914 -0.189 0.000 3.160 236 V HA 0.946 5.066 4.120 -0.001 0.000 0.310 236 V C 0.154 176.170 176.094 -0.130 0.000 1.181 236 V CA -0.491 61.723 62.300 -0.143 0.000 1.047 236 V CB 1.143 32.898 31.823 -0.113 0.000 1.068 236 V HN 1.479 nan 8.190 nan 0.000 0.441 237 S N 0.274 115.909 115.700 -0.107 0.000 2.624 237 S HA 0.399 4.868 4.470 -0.001 0.000 0.263 237 S C 0.961 175.511 174.600 -0.083 0.000 1.287 237 S CA 0.125 58.267 58.200 -0.097 0.000 0.990 237 S CB 1.359 64.512 63.200 -0.078 0.000 0.950 237 S HN 1.026 nan 8.310 nan 0.000 0.561 238 V N 1.438 121.294 119.914 -0.097 0.000 2.407 238 V HA -0.153 3.967 4.120 -0.001 0.000 0.248 238 V C 2.858 178.935 176.094 -0.028 0.000 1.055 238 V CA 2.315 64.562 62.300 -0.087 0.000 1.049 238 V CB -1.645 30.065 31.823 -0.188 0.000 0.662 238 V HN 1.002 nan 8.190 nan 0.000 0.455 239 A N -0.122 122.679 122.820 -0.032 0.000 1.898 239 A HA -0.228 4.091 4.320 -0.001 0.000 0.216 239 A C 2.194 179.759 177.584 -0.032 0.000 1.181 239 A CA 1.952 53.978 52.037 -0.019 0.000 0.620 239 A CB -0.460 18.527 19.000 -0.021 0.000 0.819 239 A HN 0.545 nan 8.150 nan 0.000 0.442 240 E N 0.139 120.309 120.200 -0.050 0.000 2.106 240 E HA -0.013 4.337 4.350 -0.001 0.000 0.192 240 E C 1.952 178.514 176.600 -0.063 0.000 0.984 240 E CA 1.463 57.821 56.400 -0.070 0.000 0.806 240 E CB -0.804 28.844 29.700 -0.087 0.000 0.750 240 E HN 0.382 nan 8.360 nan 0.000 0.458 241 G N 0.725 109.500 108.800 -0.040 0.000 2.418 241 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.217 241 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.217 241 G C 1.762 176.674 174.900 0.019 0.000 1.158 241 G CA 0.869 45.967 45.100 -0.003 0.000 0.771 241 G HN 0.325 nan 8.290 nan 0.000 0.545 242 R N 0.283 120.790 120.500 0.010 0.000 2.073 242 R HA 0.005 4.344 4.340 -0.001 0.000 0.234 242 R C 2.565 178.864 176.300 -0.003 0.000 1.134 242 R CA 1.380 57.487 56.100 0.012 0.000 0.952 242 R CB -0.376 29.935 30.300 0.017 0.000 0.850 242 R HN 0.312 nan 8.270 nan 0.000 0.433 243 R N 0.439 120.926 120.500 -0.021 0.000 2.091 243 R HA -0.150 4.189 4.340 -0.001 0.000 0.238 243 R C 2.213 178.491 176.300 -0.036 0.000 1.136 243 R CA 1.905 57.984 56.100 -0.035 0.000 0.959 243 R CB -0.091 30.174 30.300 -0.059 0.000 0.856 243 R HN 0.283 nan 8.270 nan 0.000 0.437 244 R N -0.378 120.095 120.500 -0.045 0.000 2.092 244 R HA -0.028 4.311 4.340 -0.001 0.000 0.231 244 R C 2.336 178.687 176.300 0.085 0.000 1.119 244 R CA 1.139 57.207 56.100 -0.052 0.000 0.970 244 R CB -0.255 29.931 30.300 -0.190 0.000 0.864 244 R HN 0.242 nan 8.270 nan 0.000 0.440 245 A N 0.786 123.675 122.820 0.116 0.000 1.902 245 A HA -0.105 4.215 4.320 -0.001 0.000 0.217 245 A C 2.327 179.921 177.584 0.016 0.000 1.181 245 A CA 1.304 53.394 52.037 0.088 0.000 0.623 245 A CB -0.461 18.535 19.000 -0.006 0.000 0.818 245 A HN 0.106 nan 8.150 nan 0.000 0.443 246 V N -0.064 119.852 119.914 0.004 0.000 2.427 246 V HA -0.201 3.918 4.120 -0.001 0.000 0.248 246 V C 2.570 178.666 176.094 0.003 0.000 1.051 246 V CA 2.302 64.598 62.300 -0.006 0.000 1.048 246 V CB -0.631 31.187 31.823 -0.009 0.000 0.666 246 V HN 0.684 nan 8.190 nan 0.000 0.456 247 E N 0.312 120.516 120.200 0.007 0.000 2.106 247 E HA -0.207 4.143 4.350 -0.001 0.000 0.192 247 E C 1.907 178.525 176.600 0.031 0.000 0.984 247 E CA 1.080 57.484 56.400 0.007 0.000 0.806 247 E CB -0.382 29.310 29.700 -0.014 0.000 0.750 247 E HN 0.434 nan 8.360 nan 0.000 0.458 248 L N -0.227 121.034 121.223 0.064 0.000 2.046 248 L HA 0.022 4.361 4.340 -0.001 0.000 0.208 248 L C 2.175 179.063 176.870 0.030 0.000 1.077 248 L CA 2.369 57.258 54.840 0.081 0.000 0.747 248 L CB -1.039 41.097 42.059 0.130 0.000 0.896 248 L HN 0.238 nan 8.230 nan 0.000 0.432 249 G N -1.024 107.779 108.800 0.006 0.000 2.418 249 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.217 249 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.217 249 G C 1.814 176.721 174.900 0.011 0.000 1.158 249 G CA 0.759 45.858 45.100 -0.002 0.000 0.771 249 G HN 0.408 nan 8.290 nan 0.000 0.545 250 R N 0.349 120.856 120.500 0.013 0.000 2.120 250 R HA -0.013 4.327 4.340 -0.001 0.000 0.234 250 R C 2.152 178.465 176.300 0.021 0.000 1.123 250 R CA 1.187 57.295 56.100 0.015 0.000 0.975 250 R CB -0.268 30.038 30.300 0.010 0.000 0.866 250 R HN 0.298 nan 8.270 nan 0.000 0.446 251 N N 0.179 118.896 118.700 0.028 0.000 2.459 251 N HA -0.079 4.661 4.740 -0.001 0.000 0.181 251 N C 0.771 176.303 175.510 0.037 0.000 1.046 251 N CA 0.788 53.860 53.050 0.036 0.000 0.904 251 N CB 0.245 38.761 38.487 0.048 0.000 0.964 251 N HN 0.272 nan 8.380 nan 0.000 0.444 252 L N 0.388 121.630 121.223 0.031 0.000 2.910 252 L HA 0.213 4.553 4.340 -0.001 0.000 0.252 252 L C -0.502 176.383 176.870 0.026 0.000 1.195 252 L CA -0.095 54.763 54.840 0.030 0.000 1.003 252 L CB -0.286 41.789 42.059 0.027 0.000 1.328 252 L HN 0.042 nan 8.230 nan 0.000 0.540 253 N N -1.320 117.394 118.700 0.024 0.000 2.740 253 N HA -0.180 4.560 4.740 -0.001 0.000 0.248 253 N C -0.128 175.396 175.510 0.023 0.000 1.062 253 N CA 0.140 53.203 53.050 0.023 0.000 0.704 253 N CB -1.664 36.838 38.487 0.024 0.000 0.968 253 N HN 0.281 nan 8.380 nan 0.000 0.547 254 c N 0.660 119.272 118.600 0.020 0.000 2.443 254 c HA 0.301 4.871 4.570 -0.001 0.000 0.369 254 c C 1.149 175.253 174.090 0.024 0.000 1.241 254 c CA -0.952 55.391 56.329 0.023 0.000 2.413 254 c CB 0.852 43.371 42.510 0.016 0.000 2.451 254 c HN 0.456 nan 8.230 nan 0.000 0.595 255 N N 1.694 120.414 118.700 0.032 0.000 2.442 255 N HA 0.155 4.894 4.740 -0.001 0.000 0.265 255 N C -0.108 175.415 175.510 0.021 0.000 1.138 255 N CA 0.185 53.252 53.050 0.029 0.000 0.956 255 N CB 0.476 38.986 38.487 0.038 0.000 1.067 255 N HN 0.617 nan 8.380 nan 0.000 0.474 256 L N 3.200 124.432 121.223 0.014 0.000 2.818 256 L HA 0.222 4.561 4.340 -0.001 0.000 0.243 256 L C 0.977 177.851 176.870 0.005 0.000 1.185 256 L CA -0.166 54.678 54.840 0.007 0.000 0.988 256 L CB -0.184 41.877 42.059 0.004 0.000 1.292 256 L HN 0.429 nan 8.230 nan 0.000 0.519 257 N N 0.260 118.964 118.700 0.007 0.000 2.381 257 N HA -0.088 4.652 4.740 -0.001 0.000 0.182 257 N C 0.428 175.939 175.510 0.002 0.000 1.025 257 N CA 0.883 53.936 53.050 0.004 0.000 0.888 257 N CB 0.259 38.748 38.487 0.005 0.000 0.965 257 N HN 0.414 nan 8.380 nan 0.000 0.438 258 S N -2.176 113.526 115.700 0.003 0.000 2.588 258 S HA 0.290 4.760 4.470 -0.001 0.000 0.269 258 S C -0.417 174.183 174.600 -0.000 0.000 1.157 258 S CA -0.946 57.254 58.200 -0.000 0.000 0.824 258 S CB 1.365 64.565 63.200 -0.001 0.000 1.126 258 S HN -0.205 nan 8.310 nan 0.000 0.464 259 D N 1.061 121.458 120.400 -0.006 0.000 2.117 259 D HA -0.053 4.586 4.640 -0.001 0.000 0.197 259 D C 1.526 177.828 176.300 0.003 0.000 0.987 259 D CA 1.758 55.751 54.000 -0.011 0.000 0.829 259 D CB -0.247 40.543 40.800 -0.017 0.000 0.961 259 D HN 0.675 nan 8.370 nan 0.000 0.460 260 E N 0.951 121.157 120.200 0.010 0.000 2.058 260 E HA -0.161 4.189 4.350 -0.001 0.000 0.194 260 E C 2.046 178.677 176.600 0.052 0.000 0.997 260 E CA 0.916 57.331 56.400 0.025 0.000 0.801 260 E CB -0.168 29.535 29.700 0.006 0.000 0.746 260 E HN 0.337 nan 8.360 nan 0.000 0.450 261 E N 0.114 120.337 120.200 0.037 0.000 2.031 261 E HA -0.162 4.187 4.350 -0.001 0.000 0.193 261 E C 2.180 178.830 176.600 0.083 0.000 0.994 261 E CA 0.680 57.117 56.400 0.060 0.000 0.800 261 E CB -0.407 29.313 29.700 0.033 0.000 0.752 261 E HN 0.163 nan 8.360 nan 0.000 0.447 262 L N 1.460 122.705 121.223 0.038 0.000 1.989 262 L HA -0.168 4.172 4.340 -0.001 0.000 0.211 262 L C 2.281 179.158 176.870 0.012 0.000 1.071 262 L CA 1.571 56.418 54.840 0.012 0.000 0.749 262 L CB -0.657 41.388 42.059 -0.023 0.000 0.890 262 L HN 0.065 nan 8.230 nan 0.000 0.431 263 I N -1.141 119.438 120.570 0.015 0.000 2.226 263 I HA -0.334 3.835 4.170 -0.001 0.000 0.245 263 I C 2.542 178.736 176.117 0.128 0.000 1.100 263 I CA 1.559 62.882 61.300 0.038 0.000 1.374 263 I CB -0.555 37.473 38.000 0.046 0.000 1.057 263 I HN 0.471 nan 8.210 nan 0.000 0.413 264 H N 0.296 119.397 119.070 0.051 0.000 2.352 264 H HA -0.245 4.310 4.556 -0.001 0.000 0.299 264 H C 2.414 177.776 175.328 0.058 0.000 1.097 264 H CA 2.225 58.306 56.048 0.055 0.000 1.311 264 H CB -0.389 29.394 29.762 0.034 0.000 1.377 264 H HN 0.450 nan 8.280 nan 0.000 0.504 265 c N 0.038 118.645 118.600 0.011 0.000 2.436 265 c HA -0.104 4.465 4.570 -0.001 0.000 0.277 265 c C 2.794 176.863 174.090 -0.035 0.000 1.241 265 c CA 1.156 57.464 56.329 -0.035 0.000 1.721 265 c CB -1.442 41.088 42.510 0.033 0.000 2.043 265 c HN 0.678 nan 8.230 nan 0.000 0.472 266 L N 0.189 121.428 121.223 0.027 0.000 2.131 266 L HA -0.109 4.230 4.340 -0.001 0.000 0.210 266 L C 2.918 179.872 176.870 0.141 0.000 1.092 266 L CA 1.480 56.377 54.840 0.096 0.000 0.759 266 L CB -0.665 41.459 42.059 0.109 0.000 0.903 266 L HN 0.368 nan 8.230 nan 0.000 0.435 267 R N -0.448 120.111 120.500 0.099 0.000 2.235 267 R HA -0.072 4.268 4.340 -0.001 0.000 0.213 267 R C 1.678 177.938 176.300 -0.067 0.000 1.059 267 R CA 0.480 56.587 56.100 0.010 0.000 0.997 267 R CB 0.077 30.384 30.300 0.012 0.000 0.884 267 R HN 0.291 nan 8.270 nan 0.000 0.462 268 E N 0.491 120.624 120.200 -0.112 0.000 2.442 268 E HA 0.024 4.374 4.350 -0.001 0.000 0.195 268 E C -0.016 176.561 176.600 -0.037 0.000 1.030 268 E CA 0.474 56.812 56.400 -0.104 0.000 0.869 268 E CB 0.328 29.930 29.700 -0.164 0.000 0.857 268 E HN 0.062 nan 8.360 nan 0.000 0.505 269 K N 1.683 122.078 120.400 -0.009 0.000 2.185 269 K HA 0.160 4.479 4.320 -0.001 0.000 0.271 269 K C 0.578 177.205 176.600 0.044 0.000 1.013 269 K CA -0.413 55.887 56.287 0.021 0.000 0.943 269 K CB 0.925 33.445 32.500 0.034 0.000 0.998 269 K HN -0.212 nan 8.250 nan 0.000 0.468 270 K N 2.280 122.711 120.400 0.052 0.000 2.258 270 K HA 0.067 4.386 4.320 -0.001 0.000 0.264 270 K C -1.648 175.028 176.600 0.127 0.000 1.007 270 K CA -1.826 54.500 56.287 0.066 0.000 0.941 270 K CB -0.043 32.488 32.500 0.051 0.000 0.966 270 K HN 0.203 nan 8.250 nan 0.000 0.480 271 P HA -0.215 nan 4.420 nan 0.000 0.216 271 P C 1.212 178.701 177.300 0.314 0.000 1.157 271 P CA 1.409 64.710 63.100 0.335 0.000 0.880 271 P CB 0.311 32.051 31.700 0.068 0.000 0.791 272 Q N 0.081 119.985 119.800 0.174 0.000 2.291 272 Q HA -0.187 4.152 4.340 -0.001 0.000 0.206 272 Q C 1.847 177.938 176.000 0.152 0.000 0.976 272 Q CA 1.592 57.490 55.803 0.158 0.000 0.875 272 Q CB -0.817 27.983 28.738 0.103 0.000 0.927 272 Q HN 0.358 nan 8.270 nan 0.000 0.450 273 E N -0.910 119.367 120.200 0.128 0.000 2.106 273 E HA -0.159 4.190 4.350 -0.001 0.000 0.192 273 E C 1.560 178.220 176.600 0.101 0.000 0.984 273 E CA 0.910 57.371 56.400 0.101 0.000 0.806 273 E CB 0.015 29.760 29.700 0.075 0.000 0.750 273 E HN 0.254 nan 8.360 nan 0.000 0.458 274 L N 0.609 121.891 121.223 0.099 0.000 2.072 274 L HA -0.122 4.218 4.340 -0.001 0.000 0.205 274 L C 2.207 179.133 176.870 0.094 0.000 1.079 274 L CA 1.349 56.209 54.840 0.033 0.000 0.752 274 L CB -0.392 41.586 42.059 -0.135 0.000 0.906 274 L HN 0.136 nan 8.230 nan 0.000 0.436 275 I N -0.502 120.179 120.570 0.185 0.000 2.286 275 I HA -0.282 3.888 4.170 -0.001 0.000 0.248 275 I C 1.835 178.114 176.117 0.271 0.000 1.115 275 I CA 1.028 62.483 61.300 0.258 0.000 1.392 275 I CB -0.424 37.775 38.000 0.331 0.000 1.065 275 I HN 0.257 nan 8.210 nan 0.000 0.418 276 D N 0.400 120.933 120.400 0.222 0.000 2.263 276 D HA -0.113 4.527 4.640 -0.001 0.000 0.208 276 D C 1.901 178.323 176.300 0.204 0.000 0.971 276 D CA 1.438 55.568 54.000 0.217 0.000 0.867 276 D CB 0.115 41.008 40.800 0.156 0.000 0.929 276 D HN 0.401 nan 8.370 nan 0.000 0.492 277 V N -2.723 117.291 119.914 0.167 0.000 3.477 277 V HA 0.195 4.315 4.120 -0.001 0.000 0.297 277 V C 1.793 177.969 176.094 0.137 0.000 1.433 277 V CA -0.074 62.313 62.300 0.144 0.000 1.052 277 V CB 0.395 32.281 31.823 0.104 0.000 0.895 277 V HN -0.081 nan 8.190 nan 0.000 0.438 278 E N 0.884 121.158 120.200 0.124 0.000 2.114 278 E HA -0.281 4.069 4.350 -0.001 0.000 0.199 278 E C 1.533 178.056 176.600 -0.128 0.000 1.008 278 E CA 2.698 59.123 56.400 0.042 0.000 0.810 278 E CB -0.212 29.439 29.700 -0.080 0.000 0.739 278 E HN 0.828 nan 8.360 nan 0.000 0.456 279 W N 0.657 121.949 121.300 -0.013 0.000 2.937 279 W HA 0.036 4.696 4.660 -0.001 0.000 0.245 279 W C 1.551 178.030 176.519 -0.067 0.000 1.306 279 W CA -0.081 57.209 57.345 -0.091 0.000 1.470 279 W CB 0.079 29.448 29.460 -0.153 0.000 1.132 279 W HN 0.081 nan 8.180 nan 0.000 0.675 280 N N 0.123 118.908 118.700 0.143 0.000 2.515 280 N HA -0.082 4.657 4.740 -0.001 0.000 0.185 280 N C 1.695 177.215 175.510 0.017 0.000 1.109 280 N CA 1.225 54.325 53.050 0.082 0.000 0.903 280 N CB -0.364 38.170 38.487 0.078 0.000 0.969 280 N HN 0.250 nan 8.380 nan 0.000 0.450 281 V N -2.162 117.731 119.914 -0.035 0.000 3.647 281 V HA 0.256 4.375 4.120 -0.001 0.000 0.279 281 V C 0.771 176.771 176.094 -0.155 0.000 1.314 281 V CA -0.111 62.128 62.300 -0.101 0.000 1.125 281 V CB -0.634 31.101 31.823 -0.147 0.000 0.907 281 V HN -0.028 nan 8.190 nan 0.000 0.434 282 L N 1.107 122.259 121.223 -0.119 0.000 2.483 282 L HA 0.202 4.542 4.340 -0.001 0.000 0.276 282 L C -0.666 176.095 176.870 -0.182 0.000 1.213 282 L CA -1.010 53.751 54.840 -0.133 0.000 0.843 282 L CB 0.246 42.288 42.059 -0.028 0.000 1.107 282 L HN 0.087 nan 8.230 nan 0.000 0.487 283 P HA -0.082 nan 4.420 nan 0.000 0.214 283 P C -0.445 176.503 177.300 -0.586 0.000 1.162 283 P CA 1.372 64.055 63.100 -0.695 0.000 0.879 283 P CB 0.240 31.082 31.700 -1.430 0.000 0.786 284 F N -1.809 118.140 119.950 -0.002 0.000 2.575 284 F HA 0.332 4.858 4.527 -0.001 0.000 0.330 284 F C 0.559 176.364 175.800 0.008 0.000 1.056 284 F CA -1.738 56.267 58.000 0.007 0.000 0.964 284 F CB -0.044 38.966 39.000 0.016 0.000 1.258 284 F HN -0.348 nan 8.300 nan 0.000 0.484 285 D N 1.346 121.883 120.400 0.229 0.000 2.363 285 D HA 0.360 5.000 4.640 -0.001 0.000 0.263 285 D C -0.630 175.742 176.300 0.120 0.000 1.258 285 D CA 0.497 54.571 54.000 0.124 0.000 0.907 285 D CB 0.200 41.051 40.800 0.085 0.000 1.107 285 D HN 0.627 nan 8.370 nan 0.000 0.495 286 S N 2.690 118.448 115.700 0.096 0.000 2.643 286 S HA 0.707 5.177 4.470 -0.001 0.000 0.270 286 S C -0.330 174.298 174.600 0.047 0.000 1.166 286 S CA -1.050 57.198 58.200 0.079 0.000 0.815 286 S CB 0.792 64.067 63.200 0.125 0.000 1.139 286 S HN 0.462 nan 8.310 nan 0.000 0.472 287 I N -2.941 117.656 120.570 0.044 0.000 2.785 287 I HA 0.798 4.967 4.170 -0.001 0.000 0.302 287 I C -0.427 175.715 176.117 0.043 0.000 1.069 287 I CA -1.098 60.233 61.300 0.052 0.000 1.045 287 I CB 1.368 39.420 38.000 0.086 0.000 1.236 287 I HN 0.765 nan 8.210 nan 0.000 0.429 288 F N 2.048 121.863 119.950 -0.225 0.000 3.080 288 F HA -0.172 4.354 4.527 -0.001 0.000 0.292 288 F C -0.419 174.871 175.800 -0.849 0.000 0.891 288 F CA 0.568 58.181 58.000 -0.645 0.000 1.086 288 F CB -0.621 37.940 39.000 -0.732 0.000 1.095 288 F HN 0.621 nan 8.300 nan 0.000 0.633 289 R N 0.574 120.672 120.500 -0.669 0.000 2.574 289 R HA 0.589 4.929 4.340 -0.001 0.000 0.288 289 R C -1.008 174.922 176.300 -0.617 0.000 1.004 289 R CA -0.536 55.236 56.100 -0.548 0.000 0.895 289 R CB 1.229 31.458 30.300 -0.118 0.000 1.191 289 R HN -0.018 nan 8.270 nan 0.000 0.444 290 F N -0.493 119.557 119.950 0.167 0.000 2.532 290 F HA 0.382 4.908 4.527 -0.001 0.000 0.321 290 F C 1.628 177.328 175.800 -0.166 0.000 1.089 290 F CA -0.890 57.112 58.000 0.004 0.000 0.926 290 F CB 1.660 40.767 39.000 0.179 0.000 1.168 290 F HN 0.352 nan 8.300 nan 0.000 0.459 291 S N 0.772 116.307 115.700 -0.274 0.000 2.343 291 S HA -0.076 4.393 4.470 -0.001 0.000 0.219 291 S C 0.102 174.239 174.600 -0.772 0.000 1.033 291 S CA 1.298 59.129 58.200 -0.616 0.000 1.014 291 S CB -0.274 62.379 63.200 -0.911 0.000 0.915 291 S HN 0.348 nan 8.310 nan 0.000 0.435 292 F N 1.621 121.579 119.950 0.013 0.000 2.347 292 F HA 0.560 5.087 4.527 -0.001 0.000 0.366 292 F C 0.081 175.909 175.800 0.045 0.000 1.107 292 F CA -1.010 57.035 58.000 0.074 0.000 1.058 292 F CB 1.077 40.157 39.000 0.133 0.000 1.236 292 F HN -0.072 nan 8.300 nan 0.000 0.456 293 V N 0.794 120.703 119.914 -0.009 0.000 3.156 293 V HA 0.761 4.881 4.120 -0.001 0.000 0.311 293 V C -2.899 172.907 176.094 -0.480 0.000 1.208 293 V CA -3.335 58.672 62.300 -0.488 0.000 1.063 293 V CB 1.935 33.618 31.823 -0.232 0.000 1.098 293 V HN 0.257 nan 8.190 nan 0.000 0.452 294 P HA 0.193 nan 4.420 nan 0.000 0.266 294 P C -0.846 176.365 177.300 -0.148 0.000 1.193 294 P CA 0.402 63.305 63.100 -0.329 0.000 0.770 294 P CB 0.628 32.067 31.700 -0.435 0.000 0.836 295 V N 4.634 124.555 119.914 0.012 0.000 2.628 295 V HA 0.341 4.460 4.120 -0.001 0.000 0.306 295 V C -0.441 175.688 176.094 0.058 0.000 1.045 295 V CA -0.975 61.319 62.300 -0.009 0.000 0.905 295 V CB 1.334 33.169 31.823 0.020 0.000 0.997 295 V HN 0.231 nan 8.190 nan 0.000 0.436 296 I N 7.005 127.539 120.570 -0.060 0.000 2.357 296 I HA 0.219 4.389 4.170 -0.001 0.000 0.300 296 I C 0.920 177.037 176.117 -0.001 0.000 1.159 296 I CA 0.177 61.465 61.300 -0.019 0.000 1.339 296 I CB 0.019 37.935 38.000 -0.139 0.000 1.458 296 I HN 0.831 nan 8.210 nan 0.000 0.577 297 D N 3.405 123.869 120.400 0.106 0.000 2.366 297 D HA 0.049 4.689 4.640 -0.001 0.000 0.205 297 D C 1.399 177.704 176.300 0.008 0.000 1.022 297 D CA 0.783 54.752 54.000 -0.052 0.000 0.868 297 D CB 0.433 41.283 40.800 0.083 0.000 0.953 297 D HN 0.640 nan 8.370 nan 0.000 0.514 298 G N -0.539 108.326 108.800 0.108 0.000 2.157 298 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.248 298 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.248 298 G C 0.808 175.777 174.900 0.115 0.000 0.979 298 G CA 0.640 45.803 45.100 0.104 0.000 0.650 298 G HN 0.391 nan 8.290 nan 0.000 0.529 299 E N -1.378 118.903 120.200 0.135 0.000 2.941 299 E HA 0.398 4.748 4.350 -0.001 0.000 0.180 299 E C 1.671 178.297 176.600 0.044 0.000 1.130 299 E CA 0.345 56.803 56.400 0.097 0.000 1.243 299 E CB -0.675 29.102 29.700 0.128 0.000 1.582 299 E HN 0.473 nan 8.360 nan 0.000 0.499 300 F N 0.703 120.584 119.950 -0.115 0.000 2.171 300 F HA 0.133 4.660 4.527 -0.001 0.000 0.300 300 F C 0.245 175.749 175.800 -0.493 0.000 1.090 300 F CA 1.065 58.859 58.000 -0.344 0.000 1.293 300 F CB 0.178 38.878 39.000 -0.501 0.000 1.013 300 F HN 0.057 nan 8.300 nan 0.000 0.486 301 F N 0.829 120.924 119.950 0.241 0.000 2.382 301 F HA 0.364 4.891 4.527 -0.001 0.000 0.361 301 F C -1.638 174.200 175.800 0.063 0.000 1.109 301 F CA -2.911 55.171 58.000 0.137 0.000 1.031 301 F CB 0.639 39.717 39.000 0.131 0.000 1.234 301 F HN -0.239 nan 8.300 nan 0.000 0.445 302 P HA -0.122 nan 4.420 nan 0.000 0.215 302 P C 0.460 177.818 177.300 0.096 0.000 1.157 302 P CA 1.858 65.015 63.100 0.096 0.000 0.874 302 P CB 0.180 31.913 31.700 0.055 0.000 0.790 303 T N -6.319 108.300 114.554 0.108 0.000 2.654 303 T HA 0.474 4.824 4.350 -0.001 0.000 0.289 303 T C -0.271 174.467 174.700 0.063 0.000 1.062 303 T CA -0.693 61.449 62.100 0.069 0.000 1.041 303 T CB 0.756 69.651 68.868 0.045 0.000 1.417 303 T HN -0.008 nan 8.240 nan 0.000 0.510 304 S N 0.130 115.843 115.700 0.021 0.000 2.563 304 S HA 0.146 4.615 4.470 -0.001 0.000 0.284 304 S C 1.521 176.120 174.600 -0.003 0.000 1.331 304 S CA -0.691 57.499 58.200 -0.017 0.000 1.047 304 S CB -0.392 62.796 63.200 -0.021 0.000 0.859 304 S HN 0.661 nan 8.310 nan 0.000 0.514 305 L N 0.527 121.713 121.223 -0.062 0.000 2.042 305 L HA -0.118 4.222 4.340 -0.001 0.000 0.210 305 L C 2.914 179.815 176.870 0.051 0.000 1.076 305 L CA 1.908 56.732 54.840 -0.027 0.000 0.749 305 L CB -0.785 41.198 42.059 -0.126 0.000 0.893 305 L HN 0.787 nan 8.230 nan 0.000 0.432 306 E N 0.743 120.968 120.200 0.041 0.000 2.077 306 E HA -0.193 4.157 4.350 -0.001 0.000 0.193 306 E C 2.277 178.934 176.600 0.095 0.000 0.989 306 E CA 1.734 58.191 56.400 0.094 0.000 0.800 306 E CB -0.108 29.633 29.700 0.069 0.000 0.746 306 E HN 0.484 nan 8.360 nan 0.000 0.452 307 S N -0.519 115.219 115.700 0.064 0.000 2.402 307 S HA -0.145 4.325 4.470 -0.001 0.000 0.229 307 S C 2.119 176.758 174.600 0.066 0.000 1.021 307 S CA 1.239 59.473 58.200 0.057 0.000 0.974 307 S CB -0.346 62.876 63.200 0.035 0.000 0.800 307 S HN 0.247 nan 8.310 nan 0.000 0.484 308 M N 0.920 120.576 119.600 0.092 0.000 2.132 308 M HA 0.084 4.564 4.480 -0.001 0.000 0.263 308 M C 2.204 178.630 176.300 0.211 0.000 1.065 308 M CA 1.312 56.688 55.300 0.127 0.000 1.122 308 M CB -0.608 32.099 32.600 0.179 0.000 1.365 308 M HN 0.295 nan 8.290 nan 0.000 0.411 309 L N -0.223 121.137 121.223 0.228 0.000 2.093 309 L HA -0.210 4.130 4.340 -0.001 0.000 0.208 309 L C 1.954 178.979 176.870 0.258 0.000 1.085 309 L CA 1.167 56.172 54.840 0.275 0.000 0.755 309 L CB -0.693 41.441 42.059 0.126 0.000 0.904 309 L HN 0.336 nan 8.230 nan 0.000 0.435 310 N N -0.566 118.230 118.700 0.161 0.000 2.216 310 N HA -0.145 4.594 4.740 -0.001 0.000 0.183 310 N C 1.860 177.444 175.510 0.123 0.000 1.017 310 N CA 1.353 54.495 53.050 0.154 0.000 0.861 310 N CB 0.083 38.639 38.487 0.115 0.000 0.986 310 N HN 0.261 nan 8.380 nan 0.000 0.428 311 S N -1.575 114.118 115.700 -0.013 0.000 2.575 311 S HA 0.243 4.712 4.470 -0.001 0.000 0.215 311 S C 1.346 175.584 174.600 -0.603 0.000 0.966 311 S CA 0.299 58.409 58.200 -0.151 0.000 0.911 311 S CB 0.194 63.328 63.200 -0.111 0.000 0.780 311 S HN 0.375 nan 8.310 nan 0.000 0.514 312 G N 1.921 110.182 108.800 -0.899 0.000 2.160 312 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.244 312 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.244 312 G C -0.069 173.964 174.900 -1.444 0.000 1.022 312 G CA 0.024 43.925 45.100 -1.999 0.000 0.741 312 G HN 0.586 nan 8.290 nan 0.000 0.508 313 N N 0.634 118.931 118.700 -0.671 0.000 2.895 313 N HA 0.523 5.263 4.740 -0.001 0.000 0.277 313 N C -0.147 175.306 175.510 -0.095 0.000 1.185 313 N CA -0.146 52.700 53.050 -0.340 0.000 1.106 313 N CB -0.846 37.571 38.487 -0.117 0.000 1.422 313 N HN 0.724 nan 8.380 nan 0.000 0.521 314 F N -1.136 118.755 119.950 -0.099 0.000 2.807 314 F HA 0.395 4.922 4.527 -0.000 0.000 0.316 314 F C -0.388 175.424 175.800 0.021 0.000 1.162 314 F CA -1.431 56.581 58.000 0.020 0.000 0.910 314 F CB 0.614 39.691 39.000 0.127 0.000 1.314 314 F HN -0.152 nan 8.300 nan 0.000 0.454 315 K N 1.893 122.535 120.400 0.402 0.000 2.447 315 K HA 0.206 4.526 4.320 -0.001 0.000 0.281 315 K C -1.002 175.844 176.600 0.410 0.000 1.031 315 K CA -0.170 56.270 56.287 0.255 0.000 1.019 315 K CB 0.497 33.097 32.500 0.166 0.000 0.918 315 K HN 0.742 nan 8.250 nan 0.000 0.476 316 K N 3.186 123.702 120.400 0.194 0.000 2.281 316 K HA 0.173 4.493 4.320 -0.001 0.000 0.272 316 K C -0.260 176.461 176.600 0.201 0.000 1.048 316 K CA -0.398 56.006 56.287 0.196 0.000 0.898 316 K CB 1.809 34.328 32.500 0.032 0.000 1.128 316 K HN 0.641 nan 8.250 nan 0.000 0.460 317 T N 1.402 116.160 114.554 0.339 0.000 2.627 317 T HA 0.208 4.558 4.350 -0.001 0.000 0.294 317 T C -1.500 173.395 174.700 0.325 0.000 1.230 317 T CA -0.606 61.642 62.100 0.246 0.000 1.084 317 T CB 0.918 69.897 68.868 0.186 0.000 1.693 317 T HN 0.414 nan 8.240 nan 0.000 0.465 318 Q N 1.036 120.993 119.800 0.262 0.000 2.235 318 Q HA 0.764 5.103 4.340 -0.001 0.000 0.256 318 Q C -0.410 175.870 176.000 0.466 0.000 0.951 318 Q CA -0.509 55.502 55.803 0.346 0.000 0.890 318 Q CB 1.503 30.422 28.738 0.302 0.000 1.279 318 Q HN 0.684 nan 8.270 nan 0.000 0.444 319 I N -1.421 119.374 120.570 0.374 0.000 2.865 319 I HA 0.714 4.884 4.170 -0.001 0.000 0.302 319 I C -1.528 174.475 176.117 -0.189 0.000 1.140 319 I CA -1.396 59.994 61.300 0.150 0.000 1.021 319 I CB 1.933 39.852 38.000 -0.135 0.000 1.233 319 I HN 0.557 nan 8.210 nan 0.000 0.427 320 L N 6.677 127.568 121.223 -0.553 0.000 2.409 320 L HA 0.779 5.119 4.340 -0.001 0.000 0.272 320 L C -1.351 175.306 176.870 -0.354 0.000 0.980 320 L CA -0.510 53.894 54.840 -0.726 0.000 0.826 320 L CB 1.663 42.764 42.059 -1.597 0.000 1.268 320 L HN 0.850 nan 8.230 nan 0.000 0.407 321 L N 2.368 123.502 121.223 -0.148 0.000 2.600 321 L HA 1.119 5.458 4.340 -0.001 0.000 0.257 321 L C -0.738 175.910 176.870 -0.370 0.000 1.048 321 L CA -0.462 54.313 54.840 -0.108 0.000 0.869 321 L CB 1.935 43.927 42.059 -0.111 0.000 1.482 321 L HN 0.665 nan 8.230 nan 0.000 0.408 322 G N -0.244 108.153 108.800 -0.673 0.000 2.430 322 G HA2 0.584 4.544 3.960 -0.001 0.000 0.300 322 G HA3 0.584 4.544 3.960 -0.001 0.000 0.300 322 G C -1.534 173.039 174.900 -0.546 0.000 1.330 322 G CA 0.014 44.364 45.100 -1.249 0.000 0.813 322 G HN 1.463 nan 8.290 nan 0.000 0.487 323 V N -2.613 117.149 119.914 -0.254 0.000 3.167 323 V HA 0.871 4.991 4.120 -0.001 0.000 0.310 323 V C -1.022 175.185 176.094 0.188 0.000 1.207 323 V CA -1.431 60.925 62.300 0.094 0.000 1.059 323 V CB 1.884 33.783 31.823 0.127 0.000 1.079 323 V HN 0.686 nan 8.190 nan 0.000 0.446 324 N N 0.689 119.505 118.700 0.192 0.000 2.472 324 N HA 0.447 5.187 4.740 -0.001 0.000 0.289 324 N C 0.538 176.019 175.510 -0.049 0.000 1.156 324 N CA -0.571 52.563 53.050 0.139 0.000 0.940 324 N CB 1.804 40.471 38.487 0.300 0.000 1.200 324 N HN 0.917 nan 8.380 nan 0.000 0.511 325 K N 0.018 120.285 120.400 -0.222 0.000 2.057 325 K HA -0.064 4.256 4.320 -0.001 0.000 0.207 325 K C -0.633 176.064 176.600 0.161 0.000 1.049 325 K CA 1.269 57.517 56.287 -0.066 0.000 0.931 325 K CB 0.203 32.679 32.500 -0.040 0.000 0.714 325 K HN 0.516 nan 8.250 nan 0.000 0.440 326 D N 1.125 121.613 120.400 0.147 0.000 2.795 326 D HA 0.037 4.677 4.640 -0.001 0.000 0.335 326 D C 0.159 176.581 176.300 0.204 0.000 1.262 326 D CA -0.077 54.026 54.000 0.171 0.000 0.885 326 D CB 1.227 42.101 40.800 0.124 0.000 1.047 326 D HN 0.166 nan 8.370 nan 0.000 0.500 327 E N 0.490 120.837 120.200 0.245 0.000 2.160 327 E HA -0.122 4.227 4.350 -0.001 0.000 0.195 327 E C 1.969 178.767 176.600 0.330 0.000 0.991 327 E CA 0.698 57.289 56.400 0.318 0.000 0.810 327 E CB 0.117 29.989 29.700 0.287 0.000 0.742 327 E HN 0.407 nan 8.360 nan 0.000 0.466 328 G N 1.308 110.268 108.800 0.267 0.000 2.623 328 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.214 328 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.214 328 G C 1.729 176.805 174.900 0.293 0.000 1.138 328 G CA 0.825 46.112 45.100 0.311 0.000 0.794 328 G HN 0.353 nan 8.290 nan 0.000 0.535 329 S N 0.773 116.583 115.700 0.183 0.000 2.374 329 S HA -0.193 4.277 4.470 -0.001 0.000 0.227 329 S C 2.050 176.626 174.600 -0.041 0.000 1.037 329 S CA 1.113 59.362 58.200 0.081 0.000 1.024 329 S CB -0.601 62.530 63.200 -0.115 0.000 0.861 329 S HN 0.137 nan 8.310 nan 0.000 0.456 330 F N 2.068 121.853 119.950 -0.275 0.000 2.091 330 F HA 0.012 4.539 4.527 -0.001 0.000 0.299 330 F C 1.949 177.419 175.800 -0.550 0.000 1.103 330 F CA 0.718 58.375 58.000 -0.572 0.000 1.228 330 F CB -0.859 37.583 39.000 -0.931 0.000 0.984 330 F HN 0.178 nan 8.300 nan 0.000 0.477 331 F N -0.721 119.232 119.950 0.005 0.000 2.234 331 F HA -0.125 4.401 4.527 -0.001 0.000 0.299 331 F C 2.244 178.021 175.800 -0.039 0.000 1.087 331 F CA 0.775 58.727 58.000 -0.080 0.000 1.340 331 F CB -1.036 37.853 39.000 -0.186 0.000 1.031 331 F HN -0.109 nan 8.300 nan 0.000 0.500 332 L N -0.679 120.552 121.223 0.014 0.000 2.072 332 L HA -0.157 4.183 4.340 -0.001 0.000 0.205 332 L C 2.444 179.190 176.870 -0.207 0.000 1.079 332 L CA 0.569 55.191 54.840 -0.362 0.000 0.752 332 L CB -0.626 40.855 42.059 -0.963 0.000 0.906 332 L HN 0.170 nan 8.230 nan 0.000 0.436 333 L N -1.019 120.288 121.223 0.139 0.000 2.042 333 L HA -0.249 4.090 4.340 -0.001 0.000 0.210 333 L C 2.307 179.375 176.870 0.331 0.000 1.076 333 L CA 1.995 57.082 54.840 0.412 0.000 0.749 333 L CB -0.639 41.695 42.059 0.459 0.000 0.893 333 L HN 0.110 nan 8.230 nan 0.000 0.432 334 Y N -0.697 119.672 120.300 0.115 0.000 2.395 334 Y HA 0.194 4.744 4.550 -0.001 0.000 0.293 334 Y C 2.253 178.158 175.900 0.008 0.000 1.123 334 Y CA 0.989 59.129 58.100 0.066 0.000 1.227 334 Y CB -0.144 38.314 38.460 -0.004 0.000 1.012 334 Y HN 0.291 nan 8.280 nan 0.000 0.552 335 G N -1.835 107.052 108.800 0.144 0.000 3.581 335 G HA2 0.444 4.403 3.960 -0.001 0.000 0.248 335 G HA3 0.444 4.403 3.960 -0.001 0.000 0.248 335 G C -0.193 174.748 174.900 0.068 0.000 1.037 335 G CA 0.343 45.485 45.100 0.071 0.000 0.902 335 G HN 0.262 nan 8.290 nan 0.000 0.512 336 A N 1.793 124.663 122.820 0.083 0.000 2.305 336 A HA 0.793 5.113 4.320 -0.001 0.000 0.322 336 A C -2.430 175.321 177.584 0.277 0.000 1.187 336 A CA -1.556 50.564 52.037 0.139 0.000 0.825 336 A CB 1.119 20.152 19.000 0.055 0.000 1.164 336 A HN 0.068 nan 8.150 nan 0.000 0.498 337 P HA 0.249 nan 4.420 nan 0.000 0.268 337 P C 0.857 178.230 177.300 0.122 0.000 1.204 337 P CA 1.441 64.623 63.100 0.136 0.000 0.768 337 P CB 1.116 32.861 31.700 0.075 0.000 0.842 338 G N 1.934 110.745 108.800 0.020 0.000 2.232 338 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.226 338 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.226 338 G C -0.240 174.459 174.900 -0.335 0.000 0.996 338 G CA -0.494 44.498 45.100 -0.180 0.000 0.626 338 G HN 0.430 nan 8.290 nan 0.000 0.509 339 F N 2.252 122.143 119.950 -0.098 0.000 2.394 339 F HA 0.724 5.251 4.527 -0.001 0.000 0.340 339 F C 0.683 176.488 175.800 0.008 0.000 1.105 339 F CA -0.292 57.620 58.000 -0.148 0.000 1.124 339 F CB 2.122 41.076 39.000 -0.076 0.000 1.145 339 F HN 0.047 nan 8.300 nan 0.000 0.505 340 S N 1.748 117.564 115.700 0.193 0.000 2.564 340 S HA 0.279 4.748 4.470 -0.001 0.000 0.274 340 S C 0.598 175.430 174.600 0.387 0.000 1.124 340 S CA -1.138 57.208 58.200 0.243 0.000 0.869 340 S CB 2.275 65.540 63.200 0.108 0.000 1.105 340 S HN 0.713 nan 8.310 nan 0.000 0.472 341 K N 0.616 121.189 120.400 0.288 0.000 2.148 341 K HA -0.056 4.264 4.320 -0.001 0.000 0.204 341 K C -0.131 176.533 176.600 0.106 0.000 1.050 341 K CA 1.345 57.721 56.287 0.149 0.000 0.942 341 K CB 0.029 32.328 32.500 -0.335 0.000 0.724 341 K HN 0.471 nan 8.250 nan 0.000 0.446 342 D N 0.542 120.983 120.400 0.067 0.000 2.388 342 D HA 0.021 4.660 4.640 -0.001 0.000 0.221 342 D C -0.054 176.289 176.300 0.073 0.000 1.133 342 D CA 0.126 54.148 54.000 0.036 0.000 0.831 342 D CB 0.754 41.542 40.800 -0.019 0.000 0.962 342 D HN 0.183 nan 8.370 nan 0.000 0.502 343 S N -1.198 114.575 115.700 0.122 0.000 2.667 343 S HA 0.355 4.824 4.470 -0.001 0.000 0.292 343 S C 0.700 175.346 174.600 0.076 0.000 1.126 343 S CA -0.730 57.504 58.200 0.057 0.000 0.881 343 S CB 2.356 65.546 63.200 -0.018 0.000 1.132 343 S HN -0.157 nan 8.310 nan 0.000 0.492 344 E N 0.719 120.916 120.200 -0.006 0.000 2.478 344 E HA 0.085 4.434 4.350 -0.001 0.000 0.198 344 E C -0.349 176.036 176.600 -0.358 0.000 1.046 344 E CA 0.393 56.773 56.400 -0.033 0.000 0.870 344 E CB -0.223 29.469 29.700 -0.014 0.000 0.818 344 E HN 0.698 nan 8.360 nan 0.000 0.527 345 S N 1.190 116.620 115.700 -0.450 0.000 3.628 345 S HA -0.189 4.281 4.470 -0.001 0.000 0.373 345 S C -0.289 173.937 174.600 -0.624 0.000 0.968 345 S CA 0.656 58.435 58.200 -0.701 0.000 1.215 345 S CB -1.168 61.245 63.200 -1.313 0.000 0.912 345 S HN 0.284 nan 8.310 nan 0.000 0.495 346 K N 0.955 121.131 120.400 -0.373 0.000 2.368 346 K HA 0.281 4.601 4.320 -0.001 0.000 0.282 346 K C 0.360 176.767 176.600 -0.321 0.000 1.035 346 K CA -0.159 55.960 56.287 -0.281 0.000 0.973 346 K CB 0.409 32.807 32.500 -0.170 0.000 0.957 346 K HN 0.223 nan 8.250 nan 0.000 0.474 347 I N 2.705 123.094 120.570 -0.302 0.000 2.359 347 I HA 0.054 4.224 4.170 -0.001 0.000 0.294 347 I C 0.996 177.038 176.117 -0.125 0.000 0.987 347 I CA -0.341 60.803 61.300 -0.261 0.000 1.225 347 I CB 1.159 39.010 38.000 -0.249 0.000 1.366 347 I HN 0.672 nan 8.210 nan 0.000 0.466 348 S N 5.890 121.534 115.700 -0.094 0.000 2.600 348 S HA 0.213 4.682 4.470 -0.001 0.000 0.265 348 S C 1.141 175.742 174.600 0.002 0.000 1.325 348 S CA -0.381 57.789 58.200 -0.050 0.000 1.002 348 S CB 1.387 64.564 63.200 -0.038 0.000 0.921 348 S HN 0.609 nan 8.310 nan 0.000 0.554 349 R N 0.817 121.313 120.500 -0.007 0.000 2.120 349 R HA -0.049 4.290 4.340 -0.001 0.000 0.234 349 R C 1.750 178.119 176.300 0.115 0.000 1.123 349 R CA 1.843 57.956 56.100 0.021 0.000 0.975 349 R CB -0.962 29.335 30.300 -0.004 0.000 0.866 349 R HN 0.825 nan 8.270 nan 0.000 0.446 350 E N 0.177 120.422 120.200 0.075 0.000 2.046 350 E HA -0.100 4.250 4.350 -0.001 0.000 0.190 350 E C 1.529 178.181 176.600 0.086 0.000 0.982 350 E CA 1.478 57.925 56.400 0.078 0.000 0.800 350 E CB -0.243 29.482 29.700 0.043 0.000 0.756 350 E HN 0.314 nan 8.360 nan 0.000 0.449 351 D N -0.423 120.019 120.400 0.069 0.000 2.264 351 D HA -0.113 4.527 4.640 -0.001 0.000 0.208 351 D C 1.565 177.932 176.300 0.112 0.000 0.966 351 D CA 0.409 54.446 54.000 0.063 0.000 0.864 351 D CB -0.168 40.635 40.800 0.004 0.000 0.933 351 D HN 0.121 nan 8.370 nan 0.000 0.499 352 F N 1.218 121.170 119.950 0.003 0.000 2.146 352 F HA -0.135 4.392 4.527 -0.001 0.000 0.298 352 F C 2.277 178.100 175.800 0.038 0.000 1.096 352 F CA 1.217 59.231 58.000 0.024 0.000 1.275 352 F CB -0.157 38.836 39.000 -0.013 0.000 1.008 352 F HN -0.166 nan 8.300 nan 0.000 0.480 353 M N -0.746 118.941 119.600 0.145 0.000 2.117 353 M HA -0.208 4.272 4.480 -0.001 0.000 0.262 353 M C 2.290 178.573 176.300 -0.027 0.000 1.065 353 M CA 1.757 57.090 55.300 0.056 0.000 1.114 353 M CB -0.799 31.871 32.600 0.118 0.000 1.361 353 M HN 0.040 nan 8.290 nan 0.000 0.408 354 S N 0.688 116.390 115.700 0.003 0.000 2.368 354 S HA -0.079 4.391 4.470 -0.001 0.000 0.225 354 S C 2.053 176.635 174.600 -0.029 0.000 1.030 354 S CA 1.426 59.626 58.200 -0.000 0.000 0.999 354 S CB -0.767 62.450 63.200 0.028 0.000 0.844 354 S HN 0.693 nan 8.310 nan 0.000 0.459 355 G N 1.207 109.978 108.800 -0.048 0.000 2.418 355 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.217 355 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.217 355 G C 1.447 176.252 174.900 -0.159 0.000 1.158 355 G CA 0.946 46.004 45.100 -0.069 0.000 0.771 355 G HN 0.420 nan 8.290 nan 0.000 0.545 356 V N 0.629 120.380 119.914 -0.271 0.000 2.343 356 V HA -0.152 3.967 4.120 -0.001 0.000 0.247 356 V C 2.690 178.703 176.094 -0.134 0.000 1.051 356 V CA 2.195 64.347 62.300 -0.246 0.000 1.036 356 V CB -0.348 31.310 31.823 -0.274 0.000 0.654 356 V HN 0.379 nan 8.190 nan 0.000 0.451 357 K N -0.341 119.998 120.400 -0.102 0.000 2.148 357 K HA -0.090 4.230 4.320 -0.001 0.000 0.204 357 K C 2.066 178.621 176.600 -0.075 0.000 1.050 357 K CA 1.209 57.445 56.287 -0.085 0.000 0.942 357 K CB -0.106 32.361 32.500 -0.056 0.000 0.724 357 K HN 0.402 nan 8.250 nan 0.000 0.446 358 L N 0.179 121.372 121.223 -0.050 0.000 2.156 358 L HA -0.101 4.239 4.340 -0.001 0.000 0.208 358 L C 2.176 179.035 176.870 -0.017 0.000 1.095 358 L CA 0.795 55.624 54.840 -0.018 0.000 0.770 358 L CB -0.104 41.955 42.059 0.001 0.000 0.914 358 L HN 0.093 nan 8.230 nan 0.000 0.439 359 S N -0.904 114.768 115.700 -0.048 0.000 2.436 359 S HA 0.005 4.475 4.470 -0.001 0.000 0.228 359 S C 0.938 175.502 174.600 -0.060 0.000 1.014 359 S CA 0.475 58.650 58.200 -0.041 0.000 0.950 359 S CB 0.293 63.445 63.200 -0.080 0.000 0.784 359 S HN 0.148 nan 8.310 nan 0.000 0.504 360 V N 3.136 122.977 119.914 -0.122 0.000 2.361 360 V HA 0.212 4.331 4.120 -0.001 0.000 0.252 360 V C -1.792 174.137 176.094 -0.274 0.000 0.986 360 V CA -1.353 60.806 62.300 -0.235 0.000 1.033 360 V CB 0.864 32.514 31.823 -0.289 0.000 1.282 360 V HN 0.177 nan 8.190 nan 0.000 0.514 361 P HA -0.197 nan 4.420 nan 0.000 0.219 361 P C 1.183 178.059 177.300 -0.707 0.000 1.146 361 P CA 1.599 64.513 63.100 -0.309 0.000 0.808 361 P CB 0.058 31.707 31.700 -0.086 0.000 0.779 362 H N -0.751 117.999 119.070 -0.534 0.000 2.551 362 H HA 0.403 4.958 4.556 -0.001 0.000 0.266 362 H C 0.615 175.767 175.328 -0.295 0.000 0.977 362 H CA -0.036 55.718 56.048 -0.490 0.000 1.163 362 H CB -0.739 28.923 29.762 -0.167 0.000 1.381 362 H HN -0.010 nan 8.280 nan 0.000 0.581 363 A N 2.402 124.847 122.820 -0.625 0.000 2.340 363 A HA 0.266 4.586 4.320 -0.001 0.000 0.268 363 A C 0.345 177.781 177.584 -0.247 0.000 1.100 363 A CA -0.437 51.354 52.037 -0.410 0.000 0.803 363 A CB 0.402 19.159 19.000 -0.405 0.000 1.043 363 A HN 0.649 nan 8.150 nan 0.000 0.488 364 N N 1.152 119.752 118.700 -0.166 0.000 2.364 364 N HA 0.107 4.846 4.740 -0.001 0.000 0.264 364 N C 0.020 175.478 175.510 -0.087 0.000 1.263 364 N CA -0.353 52.632 53.050 -0.109 0.000 0.959 364 N CB 0.172 38.613 38.487 -0.077 0.000 1.204 364 N HN 0.486 nan 8.380 nan 0.000 0.550 365 D N -0.804 119.563 120.400 -0.054 0.000 2.149 365 D HA -0.134 4.505 4.640 -0.001 0.000 0.198 365 D C 1.711 178.002 176.300 -0.016 0.000 0.990 365 D CA 0.862 54.844 54.000 -0.030 0.000 0.839 365 D CB -0.220 40.571 40.800 -0.015 0.000 0.948 365 D HN 0.437 nan 8.370 nan 0.000 0.460 366 L N 0.913 122.123 121.223 -0.020 0.000 2.046 366 L HA -0.010 4.329 4.340 -0.001 0.000 0.208 366 L C 2.202 179.073 176.870 0.001 0.000 1.077 366 L CA 2.038 56.877 54.840 -0.003 0.000 0.747 366 L CB -0.891 41.159 42.059 -0.015 0.000 0.896 366 L HN 0.039 nan 8.230 nan 0.000 0.432 367 G N -0.486 108.286 108.800 -0.047 0.000 2.418 367 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.217 367 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.217 367 G C 1.595 176.488 174.900 -0.012 0.000 1.158 367 G CA 1.040 46.101 45.100 -0.065 0.000 0.771 367 G HN 0.436 nan 8.290 nan 0.000 0.545 368 L N 0.426 121.633 121.223 -0.026 0.000 2.083 368 L HA -0.060 4.279 4.340 -0.001 0.000 0.209 368 L C 2.470 179.382 176.870 0.070 0.000 1.083 368 L CA 1.095 55.936 54.840 0.001 0.000 0.752 368 L CB -0.363 41.682 42.059 -0.022 0.000 0.899 368 L HN 0.092 nan 8.230 nan 0.000 0.433 369 D N 0.236 120.683 120.400 0.079 0.000 2.144 369 D HA -0.141 4.499 4.640 -0.001 0.000 0.199 369 D C 2.243 178.641 176.300 0.164 0.000 0.984 369 D CA 1.451 55.524 54.000 0.122 0.000 0.834 369 D CB -0.013 40.842 40.800 0.092 0.000 0.955 369 D HN 0.301 nan 8.370 nan 0.000 0.465 370 A N 0.567 123.495 122.820 0.181 0.000 1.902 370 A HA -0.139 4.181 4.320 -0.001 0.000 0.217 370 A C 2.530 180.250 177.584 0.227 0.000 1.181 370 A CA 1.288 53.495 52.037 0.283 0.000 0.623 370 A CB -0.741 18.519 19.000 0.433 0.000 0.818 370 A HN 0.144 nan 8.150 nan 0.000 0.443 371 V N -0.326 119.727 119.914 0.230 0.000 2.295 371 V HA -0.231 3.888 4.120 -0.001 0.000 0.246 371 V C 2.743 178.940 176.094 0.172 0.000 1.049 371 V CA 2.488 64.861 62.300 0.121 0.000 1.024 371 V CB -1.389 30.522 31.823 0.146 0.000 0.648 371 V HN 0.596 nan 8.190 nan 0.000 0.447 372 T N 0.644 115.326 114.554 0.214 0.000 2.720 372 T HA -0.226 4.123 4.350 -0.001 0.000 0.268 372 T C 1.894 176.783 174.700 0.314 0.000 1.037 372 T CA 2.025 64.328 62.100 0.338 0.000 1.144 372 T CB -0.391 68.682 68.868 0.341 0.000 0.864 372 T HN 0.298 nan 8.240 nan 0.000 0.444 373 L N 1.135 122.535 121.223 0.295 0.000 2.046 373 L HA -0.036 4.304 4.340 -0.001 0.000 0.208 373 L C 2.494 179.442 176.870 0.130 0.000 1.077 373 L CA 1.831 56.882 54.840 0.352 0.000 0.747 373 L CB -0.857 41.353 42.059 0.252 0.000 0.896 373 L HN 0.119 nan 8.230 nan 0.000 0.432 374 Q N -1.311 118.443 119.800 -0.076 0.000 2.170 374 Q HA -0.200 4.140 4.340 -0.001 0.000 0.203 374 Q C 1.113 176.882 176.000 -0.384 0.000 0.976 374 Q CA 1.894 57.477 55.803 -0.367 0.000 0.858 374 Q CB -0.210 27.982 28.738 -0.911 0.000 0.907 374 Q HN 0.687 nan 8.270 nan 0.000 0.433 375 Y N -1.103 119.144 120.300 -0.089 0.000 2.555 375 Y HA 0.331 4.881 4.550 -0.001 0.000 0.259 375 Y C -0.235 175.596 175.900 -0.116 0.000 1.179 375 Y CA -0.179 57.916 58.100 -0.008 0.000 1.230 375 Y CB 0.900 39.463 38.460 0.172 0.000 1.146 375 Y HN -0.180 nan 8.280 nan 0.000 0.526 376 T N 0.555 114.988 114.554 -0.202 0.000 2.794 376 T HA 0.111 4.461 4.350 -0.001 0.000 0.280 376 T C -0.872 173.413 174.700 -0.691 0.000 0.987 376 T CA -0.668 61.045 62.100 -0.645 0.000 0.993 376 T CB 1.149 69.295 68.868 -1.203 0.000 0.939 376 T HN -0.024 nan 8.240 nan 0.000 0.449 377 D N 1.974 122.040 120.400 -0.557 0.000 2.441 377 D HA 0.136 4.776 4.640 -0.001 0.000 0.221 377 D C 0.067 176.143 176.300 -0.373 0.000 1.156 377 D CA -0.788 53.009 54.000 -0.338 0.000 0.896 377 D CB 0.353 41.031 40.800 -0.203 0.000 1.028 377 D HN 0.603 nan 8.370 nan 0.000 0.509 378 W N 3.034 124.294 121.300 -0.067 0.000 2.848 378 W HA 0.025 4.685 4.660 -0.001 0.000 0.241 378 W C 1.943 178.432 176.519 -0.050 0.000 1.289 378 W CA -0.060 57.249 57.345 -0.059 0.000 1.396 378 W CB -0.119 29.312 29.460 -0.049 0.000 1.138 378 W HN 0.389 nan 8.180 nan 0.000 0.677 379 M N -0.800 118.856 119.600 0.092 0.000 2.541 379 M HA 0.030 4.510 4.480 -0.001 0.000 0.252 379 M C 0.106 176.412 176.300 0.010 0.000 1.125 379 M CA 1.154 56.486 55.300 0.054 0.000 1.091 379 M CB 0.184 32.801 32.600 0.029 0.000 1.420 379 M HN -0.214 nan 8.290 nan 0.000 0.486 380 D N 0.217 120.596 120.400 -0.036 0.000 3.407 380 D HA -0.001 4.639 4.640 -0.001 0.000 0.291 380 D C 0.273 176.493 176.300 -0.133 0.000 1.309 380 D CA 0.011 53.972 54.000 -0.064 0.000 0.747 380 D CB 0.278 41.041 40.800 -0.062 0.000 1.343 380 D HN 0.204 nan 8.370 nan 0.000 0.631 381 D N -0.649 119.666 120.400 -0.141 0.000 2.310 381 D HA -0.118 4.521 4.640 -0.001 0.000 0.212 381 D C 0.390 176.561 176.300 -0.215 0.000 0.965 381 D CA 0.371 54.216 54.000 -0.260 0.000 0.879 381 D CB -0.071 40.605 40.800 -0.208 0.000 0.921 381 D HN 0.334 nan 8.370 nan 0.000 0.510 382 N N 0.247 118.872 118.700 -0.125 0.000 2.251 382 N HA -0.018 4.721 4.740 -0.001 0.000 0.217 382 N C -0.096 175.353 175.510 -0.103 0.000 1.124 382 N CA -0.358 52.630 53.050 -0.103 0.000 0.843 382 N CB 0.190 38.643 38.487 -0.056 0.000 1.024 382 N HN 0.027 nan 8.380 nan 0.000 0.501 383 N N 0.769 119.395 118.700 -0.123 0.000 2.405 383 N HA 0.033 4.773 4.740 -0.001 0.000 0.260 383 N C 1.141 176.583 175.510 -0.112 0.000 1.152 383 N CA 0.038 53.028 53.050 -0.102 0.000 0.948 383 N CB 1.171 39.600 38.487 -0.097 0.000 1.111 383 N HN 0.223 nan 8.380 nan 0.000 0.485 384 G N 4.440 113.182 108.800 -0.096 0.000 2.422 384 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.218 384 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.218 384 G C 1.491 176.332 174.900 -0.099 0.000 1.146 384 G CA 0.416 45.451 45.100 -0.109 0.000 0.769 384 G HN 0.638 nan 8.290 nan 0.000 0.547 385 I N 0.807 121.337 120.570 -0.067 0.000 2.202 385 I HA -0.060 4.110 4.170 -0.001 0.000 0.242 385 I C 2.576 178.688 176.117 -0.009 0.000 1.091 385 I CA 1.141 62.423 61.300 -0.030 0.000 1.368 385 I CB -0.935 37.060 38.000 -0.008 0.000 1.058 385 I HN 0.206 nan 8.210 nan 0.000 0.410 386 K N 0.660 121.037 120.400 -0.038 0.000 2.097 386 K HA -0.146 4.173 4.320 -0.001 0.000 0.206 386 K C 1.859 178.430 176.600 -0.048 0.000 1.049 386 K CA 1.167 57.429 56.287 -0.043 0.000 0.933 386 K CB -0.111 32.331 32.500 -0.097 0.000 0.717 386 K HN 0.306 nan 8.250 nan 0.000 0.442 387 N N 0.828 119.465 118.700 -0.105 0.000 2.142 387 N HA -0.161 4.579 4.740 -0.001 0.000 0.186 387 N C 1.732 177.361 175.510 0.198 0.000 1.023 387 N CA 0.852 53.851 53.050 -0.084 0.000 0.852 387 N CB -0.219 38.184 38.487 -0.140 0.000 0.998 387 N HN 0.184 nan 8.380 nan 0.000 0.424 388 R N 1.400 121.951 120.500 0.085 0.000 2.070 388 R HA -0.109 4.230 4.340 -0.001 0.000 0.233 388 R C 0.621 177.087 176.300 0.277 0.000 1.137 388 R CA 1.527 57.707 56.100 0.133 0.000 0.945 388 R CB -0.280 29.983 30.300 -0.062 0.000 0.845 388 R HN 0.103 nan 8.270 nan 0.000 0.430 389 D N -0.459 120.067 120.400 0.211 0.000 2.178 389 D HA -0.069 4.571 4.640 -0.001 0.000 0.202 389 D C 1.729 178.186 176.300 0.262 0.000 0.974 389 D CA 1.364 55.506 54.000 0.236 0.000 0.841 389 D CB -0.472 40.435 40.800 0.180 0.000 0.953 389 D HN 0.522 nan 8.370 nan 0.000 0.478 390 G N 0.781 109.750 108.800 0.281 0.000 2.421 390 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.216 390 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.216 390 G C 1.753 176.852 174.900 0.331 0.000 1.171 390 G CA 0.124 45.451 45.100 0.379 0.000 0.775 390 G HN 0.244 nan 8.290 nan 0.000 0.543 391 L N 0.188 121.626 121.223 0.359 0.000 2.046 391 L HA -0.075 4.265 4.340 -0.001 0.000 0.208 391 L C 2.619 179.550 176.870 0.101 0.000 1.077 391 L CA 1.259 56.181 54.840 0.136 0.000 0.747 391 L CB -0.269 41.922 42.059 0.220 0.000 0.896 391 L HN 0.183 nan 8.230 nan 0.000 0.432 392 D N 0.124 120.648 120.400 0.207 0.000 2.104 392 D HA -0.227 4.413 4.640 -0.001 0.000 0.194 392 D C 1.704 178.094 176.300 0.150 0.000 0.994 392 D CA 1.403 55.521 54.000 0.197 0.000 0.830 392 D CB 0.035 41.004 40.800 0.281 0.000 0.959 392 D HN 0.252 nan 8.370 nan 0.000 0.452 393 D N -0.079 120.426 120.400 0.175 0.000 2.144 393 D HA -0.094 4.546 4.640 -0.001 0.000 0.200 393 D C 2.363 178.686 176.300 0.037 0.000 0.978 393 D CA 0.333 54.452 54.000 0.198 0.000 0.833 393 D CB -0.184 40.844 40.800 0.379 0.000 0.961 393 D HN 0.358 nan 8.370 nan 0.000 0.470 394 I N 0.566 121.002 120.570 -0.223 0.000 2.127 394 I HA -0.261 3.909 4.170 -0.001 0.000 0.241 394 I C 2.455 178.439 176.117 -0.221 0.000 1.075 394 I CA 0.771 61.836 61.300 -0.392 0.000 1.334 394 I CB -0.174 37.577 38.000 -0.414 0.000 1.040 394 I HN -0.107 nan 8.210 nan 0.000 0.405 395 V N 0.856 120.697 119.914 -0.122 0.000 2.295 395 V HA -0.225 3.895 4.120 -0.001 0.000 0.246 395 V C 2.540 178.551 176.094 -0.138 0.000 1.049 395 V CA 2.233 64.477 62.300 -0.094 0.000 1.024 395 V CB -1.427 30.413 31.823 0.027 0.000 0.648 395 V HN 0.590 nan 8.190 nan 0.000 0.447 396 G N -0.498 108.283 108.800 -0.032 0.000 2.402 396 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.216 396 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.216 396 G C 1.238 176.086 174.900 -0.085 0.000 1.162 396 G CA 0.945 46.042 45.100 -0.004 0.000 0.777 396 G HN 0.498 nan 8.290 nan 0.000 0.539 397 D N -0.234 120.112 120.400 -0.090 0.000 2.097 397 D HA -0.078 4.562 4.640 -0.001 0.000 0.197 397 D C 2.088 178.080 176.300 -0.513 0.000 0.984 397 D CA 1.261 55.178 54.000 -0.138 0.000 0.826 397 D CB -0.439 40.432 40.800 0.119 0.000 0.973 397 D HN 0.415 nan 8.370 nan 0.000 0.460 398 H N 0.936 119.394 119.070 -1.020 0.000 2.326 398 H HA 0.034 4.589 4.556 -0.001 0.000 0.301 398 H C 1.506 176.446 175.328 -0.646 0.000 1.081 398 H CA 1.709 57.013 56.048 -1.240 0.000 1.334 398 H CB 0.027 28.908 29.762 -1.469 0.000 1.385 398 H HN -0.012 nan 8.280 nan 0.000 0.504 399 N N -0.673 117.555 118.700 -0.786 0.000 2.395 399 N HA -0.011 4.729 4.740 -0.001 0.000 0.175 399 N C 1.193 176.434 175.510 -0.448 0.000 1.029 399 N CA 1.079 53.620 53.050 -0.848 0.000 0.897 399 N CB 1.017 38.554 38.487 -1.584 0.000 0.991 399 N HN 0.278 nan 8.380 nan 0.000 0.441 400 V N 0.446 120.182 119.914 -0.296 0.000 3.278 400 V HA 0.152 4.272 4.120 -0.001 0.000 0.215 400 V C 2.086 178.159 176.094 -0.035 0.000 1.287 400 V CA -0.060 62.200 62.300 -0.067 0.000 1.302 400 V CB 0.076 31.935 31.823 0.060 0.000 1.228 400 V HN -0.059 nan 8.190 nan 0.000 0.523 401 I N 0.623 121.186 120.570 -0.011 0.000 2.127 401 I HA -0.294 3.875 4.170 -0.001 0.000 0.241 401 I C 2.562 178.695 176.117 0.026 0.000 1.075 401 I CA 1.948 63.269 61.300 0.036 0.000 1.334 401 I CB -0.484 37.574 38.000 0.096 0.000 1.040 401 I HN 0.390 nan 8.210 nan 0.000 0.405 402 c N 0.638 119.243 118.600 0.008 0.000 2.440 402 c HA -0.031 4.539 4.570 -0.001 0.000 0.278 402 c C 0.245 174.370 174.090 0.058 0.000 1.295 402 c CA 0.648 57.023 56.329 0.076 0.000 1.738 402 c CB -1.789 40.810 42.510 0.150 0.000 1.987 402 c HN 0.363 nan 8.230 nan 0.000 0.492 403 P HA -0.080 nan 4.420 nan 0.000 0.217 403 P C 1.740 179.073 177.300 0.056 0.000 1.151 403 P CA 1.012 64.095 63.100 -0.029 0.000 0.828 403 P CB -0.175 31.417 31.700 -0.181 0.000 0.788 404 L N -1.770 119.464 121.223 0.018 0.000 2.093 404 L HA -0.137 4.203 4.340 -0.001 0.000 0.208 404 L C 2.054 178.975 176.870 0.084 0.000 1.085 404 L CA 1.632 56.497 54.840 0.043 0.000 0.755 404 L CB -0.512 41.542 42.059 -0.007 0.000 0.904 404 L HN -0.102 nan 8.230 nan 0.000 0.435 405 M N -1.119 118.522 119.600 0.068 0.000 2.229 405 M HA -0.202 4.277 4.480 -0.001 0.000 0.264 405 M C 2.231 178.598 176.300 0.111 0.000 1.063 405 M CA 1.560 56.897 55.300 0.061 0.000 1.114 405 M CB -1.524 31.128 32.600 0.086 0.000 1.387 405 M HN 0.422 nan 8.290 nan 0.000 0.420 406 H N -0.178 118.934 119.070 0.070 0.000 2.357 406 H HA -0.160 4.396 4.556 -0.001 0.000 0.301 406 H C 1.829 177.201 175.328 0.073 0.000 1.082 406 H CA 1.896 57.989 56.048 0.076 0.000 1.342 406 H CB -0.319 29.485 29.762 0.071 0.000 1.389 406 H HN 0.229 nan 8.280 nan 0.000 0.511 407 F N 0.055 119.967 119.950 -0.063 0.000 2.102 407 F HA -0.183 4.343 4.527 -0.001 0.000 0.298 407 F C 2.537 178.253 175.800 -0.140 0.000 1.105 407 F CA 1.548 59.467 58.000 -0.135 0.000 1.239 407 F CB -0.977 37.951 39.000 -0.120 0.000 0.991 407 F HN 0.133 nan 8.300 nan 0.000 0.474 408 V N 1.186 121.001 119.914 -0.165 0.000 2.332 408 V HA -0.319 3.801 4.120 -0.001 0.000 0.248 408 V C 2.232 178.166 176.094 -0.268 0.000 1.055 408 V CA 2.636 64.734 62.300 -0.337 0.000 1.038 408 V CB -0.636 30.901 31.823 -0.476 0.000 0.651 408 V HN 0.455 nan 8.190 nan 0.000 0.450 409 N N -0.224 118.401 118.700 -0.125 0.000 2.188 409 N HA -0.112 4.627 4.740 -0.001 0.000 0.184 409 N C 1.817 177.299 175.510 -0.048 0.000 1.018 409 N CA 1.183 54.253 53.050 0.033 0.000 0.858 409 N CB -0.230 38.310 38.487 0.089 0.000 0.989 409 N HN 0.435 nan 8.380 nan 0.000 0.426 410 K N 0.433 120.719 120.400 -0.189 0.000 2.062 410 K HA -0.094 4.225 4.320 -0.001 0.000 0.205 410 K C 1.928 178.489 176.600 -0.064 0.000 1.051 410 K CA 0.600 56.803 56.287 -0.139 0.000 0.941 410 K CB -0.677 31.669 32.500 -0.256 0.000 0.719 410 K HN 0.290 nan 8.250 nan 0.000 0.440 411 Y N 2.262 122.300 120.300 -0.437 0.000 2.163 411 Y HA -0.197 4.353 4.550 -0.001 0.000 0.288 411 Y C 2.173 178.047 175.900 -0.044 0.000 1.136 411 Y CA 1.854 59.685 58.100 -0.448 0.000 1.147 411 Y CB -0.349 37.537 38.460 -0.956 0.000 0.987 411 Y HN 0.013 nan 8.280 nan 0.000 0.509 412 T N 0.601 115.188 114.554 0.054 0.000 2.897 412 T HA -0.233 4.117 4.350 -0.001 0.000 0.271 412 T C 1.811 176.517 174.700 0.010 0.000 1.084 412 T CA 1.654 63.817 62.100 0.106 0.000 1.123 412 T CB -0.266 68.751 68.868 0.247 0.000 0.865 412 T HN 0.326 nan 8.240 nan 0.000 0.496 413 K N -0.123 120.251 120.400 -0.042 0.000 2.148 413 K HA -0.028 4.292 4.320 -0.001 0.000 0.204 413 K C 1.152 177.499 176.600 -0.423 0.000 1.050 413 K CA 1.232 57.378 56.287 -0.235 0.000 0.942 413 K CB -0.056 32.257 32.500 -0.312 0.000 0.724 413 K HN 0.364 nan 8.250 nan 0.000 0.446 414 F N -0.187 119.706 119.950 -0.095 0.000 2.712 414 F HA 0.284 4.811 4.527 -0.001 0.000 0.297 414 F C 1.404 177.095 175.800 -0.183 0.000 1.114 414 F CA -0.186 57.723 58.000 -0.152 0.000 1.305 414 F CB 0.104 38.956 39.000 -0.247 0.000 1.086 414 F HN -0.030 nan 8.300 nan 0.000 0.599 415 G N -0.086 108.649 108.800 -0.108 0.000 2.683 415 G HA2 -0.057 3.903 3.960 -0.001 0.000 0.260 415 G HA3 -0.057 3.903 3.960 -0.001 0.000 0.260 415 G C 0.394 175.340 174.900 0.076 0.000 1.238 415 G CA -0.313 44.743 45.100 -0.072 0.000 0.934 415 G HN 0.300 nan 8.290 nan 0.000 0.534 416 N N -0.503 118.292 118.700 0.158 0.000 2.234 416 N HA 0.278 5.018 4.740 -0.001 0.000 0.227 416 N C 0.309 175.894 175.510 0.124 0.000 1.151 416 N CA 0.431 53.550 53.050 0.115 0.000 0.865 416 N CB 0.303 38.852 38.487 0.103 0.000 1.066 416 N HN 0.858 nan 8.380 nan 0.000 0.515 417 G N 0.566 109.453 108.800 0.144 0.000 2.196 417 G HA2 -0.001 3.959 3.960 -0.001 0.000 0.215 417 G HA3 -0.001 3.959 3.960 -0.001 0.000 0.215 417 G C -1.251 173.682 174.900 0.054 0.000 1.640 417 G CA -0.752 44.391 45.100 0.072 0.000 0.946 417 G HN 0.015 nan 8.290 nan 0.000 0.710 418 T N 1.770 116.243 114.554 -0.135 0.000 2.824 418 T HA 0.674 5.024 4.350 -0.001 0.000 0.282 418 T C -1.200 173.236 174.700 -0.440 0.000 0.993 418 T CA -0.325 61.688 62.100 -0.145 0.000 0.967 418 T CB 1.289 70.149 68.868 -0.014 0.000 0.960 418 T HN 0.410 nan 8.240 nan 0.000 0.441 419 Y N 2.125 122.335 120.300 -0.149 0.000 2.338 419 Y HA 0.654 5.204 4.550 -0.001 0.000 0.333 419 Y C -0.464 175.462 175.900 0.044 0.000 0.968 419 Y CA -1.134 56.824 58.100 -0.236 0.000 1.123 419 Y CB 1.505 39.381 38.460 -0.974 0.000 1.165 419 Y HN 0.440 nan 8.280 nan 0.000 0.452 420 L N 5.844 127.412 121.223 0.574 0.000 2.346 420 L HA 0.655 4.995 4.340 -0.001 0.000 0.274 420 L C -1.314 176.013 176.870 0.762 0.000 1.007 420 L CA -1.015 54.112 54.840 0.479 0.000 0.818 420 L CB 0.939 43.146 42.059 0.247 0.000 1.284 420 L HN 0.527 nan 8.230 nan 0.000 0.424 421 Y N 3.009 123.624 120.300 0.525 0.000 2.576 421 Y HA 0.727 5.277 4.550 -0.001 0.000 0.346 421 Y C -1.838 174.333 175.900 0.451 0.000 1.018 421 Y CA -2.069 56.280 58.100 0.415 0.000 1.050 421 Y CB 1.329 39.978 38.460 0.316 0.000 1.280 421 Y HN 0.530 nan 8.280 nan 0.000 0.474 422 F N 4.444 124.733 119.950 0.566 0.000 2.513 422 F HA 0.469 4.995 4.527 -0.001 0.000 0.358 422 F C -1.857 174.252 175.800 0.515 0.000 1.118 422 F CA -1.820 56.444 58.000 0.441 0.000 1.037 422 F CB 0.670 39.912 39.000 0.403 0.000 1.276 422 F HN 0.566 nan 8.300 nan 0.000 0.446 423 F N 7.891 127.897 119.950 0.094 0.000 2.444 423 F HA 0.291 4.818 4.527 -0.001 0.000 0.360 423 F C 0.282 175.928 175.800 -0.256 0.000 1.106 423 F CA -0.290 57.710 58.000 0.000 0.000 1.170 423 F CB 0.518 39.586 39.000 0.113 0.000 1.113 423 F HN 0.541 nan 8.300 nan 0.000 0.521 424 N N 3.462 121.793 118.700 -0.614 0.000 2.517 424 N HA 0.075 4.815 4.740 -0.001 0.000 0.285 424 N C -1.226 174.040 175.510 -0.407 0.000 1.528 424 N CA -0.481 52.309 53.050 -0.434 0.000 0.892 424 N CB -0.643 37.777 38.487 -0.111 0.000 1.356 424 N HN 0.626 nan 8.380 nan 0.000 0.495 425 H N 0.527 119.054 119.070 -0.905 0.000 2.504 425 H HA 0.439 4.995 4.556 -0.001 0.000 0.322 425 H C -0.516 174.627 175.328 -0.308 0.000 1.055 425 H CA -0.612 55.093 56.048 -0.572 0.000 1.231 425 H CB 1.041 30.398 29.762 -0.675 0.000 1.417 425 H HN 0.110 nan 8.280 nan 0.000 0.472 426 R N 4.131 124.243 120.500 -0.647 0.000 2.221 426 R HA 0.521 4.861 4.340 -0.001 0.000 0.327 426 R C -0.568 175.456 176.300 -0.459 0.000 1.033 426 R CA -0.621 55.265 56.100 -0.355 0.000 0.887 426 R CB 0.431 30.610 30.300 -0.202 0.000 1.057 426 R HN 0.804 nan 8.270 nan 0.000 0.455 427 A N 2.978 125.799 122.820 0.003 0.000 2.540 427 A HA 0.012 4.331 4.320 -0.001 0.000 0.239 427 A C 1.315 178.964 177.584 0.108 0.000 1.061 427 A CA 0.464 52.668 52.037 0.278 0.000 0.758 427 A CB 0.337 19.657 19.000 0.533 0.000 0.991 427 A HN 1.018 nan 8.150 nan 0.000 0.502 428 S N 1.536 117.335 115.700 0.164 0.000 2.442 428 S HA -0.175 4.295 4.470 -0.001 0.000 0.236 428 S C 0.858 175.449 174.600 -0.016 0.000 1.007 428 S CA 1.229 59.468 58.200 0.066 0.000 0.965 428 S CB -0.458 62.806 63.200 0.108 0.000 0.773 428 S HN 0.936 nan 8.310 nan 0.000 0.504 429 N N 0.546 119.204 118.700 -0.071 0.000 2.273 429 N HA 0.272 5.012 4.740 -0.001 0.000 0.231 429 N C -0.338 175.097 175.510 -0.125 0.000 1.134 429 N CA -0.536 52.419 53.050 -0.158 0.000 0.856 429 N CB -0.428 37.852 38.487 -0.344 0.000 1.068 429 N HN 0.347 nan 8.380 nan 0.000 0.510 430 L N 1.418 122.607 121.223 -0.057 0.000 2.453 430 L HA 0.076 4.416 4.340 -0.001 0.000 0.272 430 L C 1.231 178.043 176.870 -0.097 0.000 1.182 430 L CA -0.004 54.804 54.840 -0.054 0.000 0.858 430 L CB 1.074 43.106 42.059 -0.044 0.000 1.120 430 L HN 0.194 nan 8.230 nan 0.000 0.474 431 V N 1.087 120.897 119.914 -0.174 0.000 3.506 431 V HA 0.149 4.269 4.120 -0.001 0.000 0.263 431 V C 0.591 176.618 176.094 -0.112 0.000 1.203 431 V CA -0.420 61.756 62.300 -0.207 0.000 1.133 431 V CB -1.259 30.308 31.823 -0.427 0.000 0.802 431 V HN 0.669 nan 8.190 nan 0.000 0.459 432 W N 2.023 123.279 121.300 -0.074 0.000 2.184 432 W HA 0.490 5.150 4.660 -0.001 0.000 0.338 432 W C -1.723 174.655 176.519 -0.234 0.000 1.257 432 W CA -2.158 55.095 57.345 -0.153 0.000 1.243 432 W CB -0.007 29.231 29.460 -0.370 0.000 1.122 432 W HN -0.000 nan 8.180 nan 0.000 0.585 433 P HA -0.087 nan 4.420 nan 0.000 0.270 433 P C 0.363 177.552 177.300 -0.185 0.000 1.223 433 P CA 0.373 63.407 63.100 -0.109 0.000 0.785 433 P CB 0.964 32.606 31.700 -0.096 0.000 0.923 434 E N 1.308 121.479 120.200 -0.048 0.000 2.110 434 E HA -0.144 4.206 4.350 -0.001 0.000 0.193 434 E C 1.906 178.520 176.600 0.023 0.000 0.988 434 E CA 1.359 57.751 56.400 -0.013 0.000 0.804 434 E CB -0.529 29.199 29.700 0.048 0.000 0.745 434 E HN 0.716 nan 8.360 nan 0.000 0.458 435 W N 0.224 121.546 121.300 0.038 0.000 2.364 435 W HA -0.096 4.563 4.660 -0.001 0.000 0.281 435 W C 1.469 178.024 176.519 0.058 0.000 1.219 435 W CA 0.478 57.857 57.345 0.056 0.000 1.220 435 W CB -0.835 28.670 29.460 0.075 0.000 1.127 435 W HN -0.021 nan 8.180 nan 0.000 0.556 436 M N 1.358 120.601 119.600 -0.595 0.000 2.557 436 M HA 0.111 4.590 4.480 -0.001 0.000 0.259 436 M C 1.794 177.948 176.300 -0.243 0.000 1.086 436 M CA 1.526 56.432 55.300 -0.656 0.000 1.096 436 M CB -0.719 31.256 32.600 -1.041 0.000 1.424 436 M HN 0.183 nan 8.290 nan 0.000 0.488 437 G N 0.547 109.270 108.800 -0.129 0.000 2.611 437 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.301 437 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.301 437 G C -0.140 174.720 174.900 -0.067 0.000 1.233 437 G CA -0.171 44.899 45.100 -0.050 0.000 0.993 437 G HN 0.212 nan 8.290 nan 0.000 0.553 438 V N 2.085 121.997 119.914 -0.003 0.000 2.267 438 V HA 0.369 4.488 4.120 -0.001 0.000 0.254 438 V C 1.114 177.281 176.094 0.122 0.000 1.144 438 V CA -0.067 62.268 62.300 0.059 0.000 0.992 438 V CB -0.091 31.757 31.823 0.042 0.000 1.199 438 V HN 0.518 nan 8.190 nan 0.000 0.493 439 I N 2.854 123.466 120.570 0.071 0.000 2.754 439 I HA 0.072 4.242 4.170 -0.001 0.000 0.285 439 I C 0.971 177.315 176.117 0.377 0.000 1.166 439 I CA -0.332 61.028 61.300 0.100 0.000 1.417 439 I CB 0.146 38.001 38.000 -0.240 0.000 1.382 439 I HN 0.562 nan 8.210 nan 0.000 0.588 440 H N 4.225 123.459 119.070 0.273 0.000 3.125 440 H HA 0.159 4.715 4.556 -0.001 0.000 0.310 440 H C 1.008 176.491 175.328 0.259 0.000 0.980 440 H CA 0.972 57.185 56.048 0.275 0.000 1.422 440 H CB 0.165 30.094 29.762 0.278 0.000 1.432 440 H HN 0.751 nan 8.280 nan 0.000 0.577 441 G N 3.686 112.409 108.800 -0.129 0.000 2.199 441 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.254 441 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.254 441 G C 0.577 175.501 174.900 0.040 0.000 0.982 441 G CA 0.452 45.452 45.100 -0.167 0.000 0.632 441 G HN 0.644 nan 8.290 nan 0.000 0.529 442 Y N 1.420 121.868 120.300 0.246 0.000 2.462 442 Y HA 0.244 4.794 4.550 -0.001 0.000 0.293 442 Y C 2.270 178.318 175.900 0.247 0.000 1.195 442 Y CA 0.944 59.246 58.100 0.337 0.000 1.276 442 Y CB 0.405 39.090 38.460 0.375 0.000 1.082 442 Y HN 0.525 nan 8.280 nan 0.000 0.514 443 E N -0.200 119.999 120.200 -0.002 0.000 2.415 443 E HA -0.033 4.317 4.350 -0.001 0.000 0.197 443 E C 1.618 178.158 176.600 -0.100 0.000 1.007 443 E CA 0.533 56.607 56.400 -0.543 0.000 0.890 443 E CB -0.420 28.651 29.700 -1.050 0.000 0.891 443 E HN 0.519 nan 8.360 nan 0.000 0.496 444 I N 2.748 123.362 120.570 0.073 0.000 2.163 444 I HA -0.310 3.860 4.170 -0.001 0.000 0.243 444 I C 2.626 178.815 176.117 0.120 0.000 1.085 444 I CA 2.149 63.544 61.300 0.158 0.000 1.347 444 I CB -0.479 37.664 38.000 0.239 0.000 1.044 444 I HN 0.219 nan 8.210 nan 0.000 0.408 445 E N 0.892 121.121 120.200 0.047 0.000 2.209 445 E HA -0.230 4.120 4.350 -0.001 0.000 0.196 445 E C 2.008 178.463 176.600 -0.242 0.000 0.993 445 E CA 1.440 57.781 56.400 -0.099 0.000 0.819 445 E CB -0.486 29.149 29.700 -0.108 0.000 0.745 445 E HN 0.437 nan 8.360 nan 0.000 0.477 446 F N 1.138 121.002 119.950 -0.144 0.000 2.234 446 F HA -0.029 4.497 4.527 -0.001 0.000 0.296 446 F C 2.370 178.001 175.800 -0.282 0.000 1.089 446 F CA 0.555 58.426 58.000 -0.215 0.000 1.343 446 F CB -0.170 38.735 39.000 -0.159 0.000 1.040 446 F HN -0.139 nan 8.300 nan 0.000 0.498 447 V N -1.021 118.809 119.914 -0.139 0.000 2.515 447 V HA -0.266 3.854 4.120 -0.001 0.000 0.250 447 V C 1.639 177.539 176.094 -0.323 0.000 1.058 447 V CA 1.578 63.651 62.300 -0.378 0.000 1.064 447 V CB -0.653 30.966 31.823 -0.339 0.000 0.675 447 V HN 0.206 nan 8.190 nan 0.000 0.461 448 F N 0.391 120.210 119.950 -0.218 0.000 2.765 448 F HA 0.411 4.938 4.527 -0.001 0.000 0.302 448 F C 1.819 177.527 175.800 -0.153 0.000 1.111 448 F CA 0.585 58.483 58.000 -0.169 0.000 1.359 448 F CB -0.220 38.665 39.000 -0.191 0.000 1.097 448 F HN 0.254 nan 8.300 nan 0.000 0.577 449 G N 0.208 108.925 108.800 -0.138 0.000 2.160 449 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.251 449 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.251 449 G C 1.150 175.755 174.900 -0.491 0.000 1.008 449 G CA 0.368 45.315 45.100 -0.255 0.000 0.724 449 G HN 0.255 nan 8.290 nan 0.000 0.514 450 L N -0.104 120.807 121.223 -0.519 0.000 2.127 450 L HA -0.053 4.287 4.340 -0.001 0.000 0.211 450 L C 0.272 176.744 176.870 -0.663 0.000 1.089 450 L CA 2.553 57.034 54.840 -0.598 0.000 0.757 450 L CB -1.924 39.913 42.059 -0.369 0.000 0.899 450 L HN 0.193 nan 8.230 nan 0.000 0.434 451 P HA -0.116 nan 4.420 nan 0.000 0.226 451 P C 1.617 178.672 177.300 -0.409 0.000 1.146 451 P CA 0.740 63.235 63.100 -1.008 0.000 0.773 451 P CB 0.093 31.107 31.700 -1.144 0.000 0.772 452 L N -2.137 118.857 121.223 -0.383 0.000 2.492 452 L HA -0.008 4.332 4.340 -0.001 0.000 0.223 452 L C 0.701 177.455 176.870 -0.193 0.000 1.132 452 L CA 0.785 55.485 54.840 -0.234 0.000 0.850 452 L CB -0.543 41.398 42.059 -0.197 0.000 0.966 452 L HN -0.242 nan 8.230 nan 0.000 0.454 453 V N -0.206 119.555 119.914 -0.255 0.000 2.339 453 V HA 0.011 4.131 4.120 -0.001 0.000 0.261 453 V C 1.568 177.627 176.094 -0.058 0.000 1.058 453 V CA -0.131 62.072 62.300 -0.161 0.000 0.897 453 V CB 0.633 32.324 31.823 -0.220 0.000 1.052 453 V HN 0.229 nan 8.190 nan 0.000 0.480 454 K N 4.104 124.482 120.400 -0.036 0.000 2.077 454 K HA -0.245 4.074 4.320 -0.001 0.000 0.213 454 K C 1.770 178.361 176.600 -0.015 0.000 1.051 454 K CA 2.405 58.684 56.287 -0.014 0.000 0.929 454 K CB -0.272 32.219 32.500 -0.015 0.000 0.715 454 K HN 0.874 nan 8.250 nan 0.000 0.451 455 E N 0.663 120.848 120.200 -0.026 0.000 2.331 455 E HA -0.037 4.313 4.350 -0.001 0.000 0.199 455 E C 1.820 178.389 176.600 -0.053 0.000 1.008 455 E CA 1.190 57.568 56.400 -0.037 0.000 0.843 455 E CB -0.304 29.375 29.700 -0.036 0.000 0.761 455 E HN 0.502 nan 8.360 nan 0.000 0.507 456 L N 0.403 121.603 121.223 -0.039 0.000 2.610 456 L HA 0.030 4.370 4.340 -0.001 0.000 0.232 456 L C -0.080 176.670 176.870 -0.201 0.000 1.149 456 L CA -0.003 54.790 54.840 -0.079 0.000 0.872 456 L CB -0.390 41.696 42.059 0.046 0.000 0.992 456 L HN 0.146 nan 8.230 nan 0.000 0.447 457 N N -1.502 117.127 118.700 -0.118 0.000 2.780 457 N HA -0.219 4.520 4.740 -0.001 0.000 0.248 457 N C -0.592 174.813 175.510 -0.174 0.000 1.102 457 N CA 0.816 53.781 53.050 -0.141 0.000 0.697 457 N CB -1.770 36.613 38.487 -0.172 0.000 1.028 457 N HN 0.303 nan 8.380 nan 0.000 0.554 458 Y N 0.567 120.835 120.300 -0.053 0.000 2.374 458 Y HA 0.359 4.909 4.550 -0.001 0.000 0.322 458 Y C 1.839 177.737 175.900 -0.003 0.000 1.275 458 Y CA -0.048 58.036 58.100 -0.027 0.000 1.307 458 Y CB 0.680 39.092 38.460 -0.081 0.000 1.282 458 Y HN 0.088 nan 8.280 nan 0.000 0.509 459 T N -1.916 112.770 114.554 0.220 0.000 2.847 459 T HA 0.458 4.808 4.350 -0.001 0.000 0.279 459 T C 1.154 175.914 174.700 0.100 0.000 0.984 459 T CA -0.268 61.909 62.100 0.130 0.000 0.988 459 T CB 1.222 70.167 68.868 0.129 0.000 1.040 459 T HN 0.747 nan 8.240 nan 0.000 0.528 460 A N 0.428 123.284 122.820 0.059 0.000 1.933 460 A HA -0.015 4.305 4.320 -0.001 0.000 0.218 460 A C 2.149 179.749 177.584 0.026 0.000 1.175 460 A CA 1.547 53.603 52.037 0.032 0.000 0.628 460 A CB -1.036 17.977 19.000 0.021 0.000 0.814 460 A HN 0.919 nan 8.150 nan 0.000 0.444 461 E N 0.237 120.459 120.200 0.036 0.000 2.106 461 E HA -0.138 4.211 4.350 -0.001 0.000 0.192 461 E C 1.868 178.474 176.600 0.011 0.000 0.984 461 E CA 1.424 57.831 56.400 0.013 0.000 0.806 461 E CB -0.195 29.511 29.700 0.010 0.000 0.750 461 E HN 0.762 nan 8.360 nan 0.000 0.458 462 E N 0.383 120.631 120.200 0.080 0.000 2.208 462 E HA -0.163 4.187 4.350 -0.001 0.000 0.193 462 E C 1.933 178.580 176.600 0.079 0.000 0.988 462 E CA 0.649 57.157 56.400 0.180 0.000 0.828 462 E CB 0.036 29.957 29.700 0.369 0.000 0.763 462 E HN 0.307 nan 8.360 nan 0.000 0.478 463 E N 0.829 121.027 120.200 -0.004 0.000 2.106 463 E HA -0.163 4.187 4.350 -0.001 0.000 0.192 463 E C 2.030 178.601 176.600 -0.050 0.000 0.984 463 E CA 0.852 57.206 56.400 -0.077 0.000 0.806 463 E CB 0.005 29.669 29.700 -0.060 0.000 0.750 463 E HN 0.200 nan 8.360 nan 0.000 0.458 464 A N 1.148 123.952 122.820 -0.026 0.000 1.898 464 A HA -0.153 4.166 4.320 -0.001 0.000 0.216 464 A C 2.111 179.676 177.584 -0.033 0.000 1.181 464 A CA 1.143 53.159 52.037 -0.036 0.000 0.620 464 A CB -0.577 18.405 19.000 -0.031 0.000 0.819 464 A HN 0.372 nan 8.150 nan 0.000 0.442 465 L N -0.220 121.001 121.223 -0.004 0.000 2.046 465 L HA -0.089 4.250 4.340 -0.001 0.000 0.208 465 L C 2.557 179.467 176.870 0.066 0.000 1.077 465 L CA 2.614 57.458 54.840 0.006 0.000 0.747 465 L CB -0.882 41.151 42.059 -0.042 0.000 0.896 465 L HN 0.335 nan 8.230 nan 0.000 0.432 466 S N -0.651 115.132 115.700 0.138 0.000 2.356 466 S HA -0.209 4.260 4.470 -0.001 0.000 0.223 466 S C 2.191 176.755 174.600 -0.061 0.000 1.032 466 S CA 1.387 59.622 58.200 0.059 0.000 1.005 466 S CB -0.237 62.885 63.200 -0.130 0.000 0.867 466 S HN 0.540 nan 8.310 nan 0.000 0.449 467 R N 0.329 120.784 120.500 -0.074 0.000 2.096 467 R HA -0.036 4.304 4.340 -0.001 0.000 0.235 467 R C 2.732 178.974 176.300 -0.097 0.000 1.127 467 R CA 1.511 57.559 56.100 -0.086 0.000 0.968 467 R CB -0.316 29.929 30.300 -0.091 0.000 0.861 467 R HN 0.403 nan 8.270 nan 0.000 0.440 468 R N 0.926 121.351 120.500 -0.126 0.000 2.066 468 R HA -0.079 4.261 4.340 -0.001 0.000 0.232 468 R C 2.169 178.291 176.300 -0.296 0.000 1.131 468 R CA 1.329 57.277 56.100 -0.253 0.000 0.955 468 R CB -0.149 30.012 30.300 -0.230 0.000 0.851 468 R HN 0.170 nan 8.270 nan 0.000 0.432 469 I N 0.429 120.931 120.570 -0.113 0.000 2.252 469 I HA -0.302 3.868 4.170 -0.001 0.000 0.245 469 I C 2.443 178.503 176.117 -0.094 0.000 1.102 469 I CA 1.315 62.577 61.300 -0.063 0.000 1.385 469 I CB -0.154 37.679 38.000 -0.278 0.000 1.064 469 I HN 0.288 nan 8.210 nan 0.000 0.414 470 M N -0.583 118.938 119.600 -0.131 0.000 2.159 470 M HA -0.259 4.220 4.480 -0.001 0.000 0.263 470 M C 2.404 178.761 176.300 0.094 0.000 1.063 470 M CA 1.750 57.002 55.300 -0.079 0.000 1.110 470 M CB -0.720 31.829 32.600 -0.086 0.000 1.374 470 M HN 0.273 nan 8.290 nan 0.000 0.411 471 H N -0.426 118.631 119.070 -0.022 0.000 2.395 471 H HA -0.128 4.428 4.556 -0.001 0.000 0.299 471 H C 1.537 176.965 175.328 0.167 0.000 1.070 471 H CA 1.780 57.835 56.048 0.011 0.000 1.356 471 H CB 0.026 29.738 29.762 -0.084 0.000 1.401 471 H HN 0.263 nan 8.280 nan 0.000 0.524 472 Y N -0.784 119.669 120.300 0.255 0.000 2.114 472 Y HA -0.248 4.301 4.550 -0.001 0.000 0.284 472 Y C 2.552 178.642 175.900 0.316 0.000 1.143 472 Y CA 1.141 59.432 58.100 0.319 0.000 1.135 472 Y CB -1.073 37.783 38.460 0.660 0.000 0.980 472 Y HN 0.348 nan 8.280 nan 0.000 0.499 473 W N -0.454 120.950 121.300 0.172 0.000 2.333 473 W HA -0.260 4.399 4.660 -0.001 0.000 0.316 473 W C 2.588 179.102 176.519 -0.008 0.000 1.215 473 W CA 1.223 58.596 57.345 0.046 0.000 1.278 473 W CB -0.539 28.889 29.460 -0.053 0.000 1.154 473 W HN 0.065 nan 8.180 nan 0.000 0.486 474 A N -0.214 122.713 122.820 0.177 0.000 1.930 474 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 474 A C 1.804 179.365 177.584 -0.039 0.000 1.175 474 A CA 2.102 54.156 52.037 0.027 0.000 0.627 474 A CB -1.107 17.899 19.000 0.011 0.000 0.815 474 A HN 0.208 nan 8.150 nan 0.000 0.443 475 T N -0.849 113.645 114.554 -0.100 0.000 2.821 475 T HA -0.079 4.270 4.350 -0.001 0.000 0.267 475 T C 1.577 176.224 174.700 -0.088 0.000 1.046 475 T CA 1.412 63.418 62.100 -0.156 0.000 1.139 475 T CB -0.349 68.358 68.868 -0.268 0.000 0.871 475 T HN 0.509 nan 8.240 nan 0.000 0.454 476 F N 2.390 122.235 119.950 -0.176 0.000 2.146 476 F HA 0.066 4.592 4.527 -0.001 0.000 0.298 476 F C 2.409 178.118 175.800 -0.152 0.000 1.096 476 F CA 0.913 58.776 58.000 -0.228 0.000 1.275 476 F CB -0.652 38.149 39.000 -0.332 0.000 1.008 476 F HN 0.131 nan 8.300 nan 0.000 0.480 477 A N 0.222 122.948 122.820 -0.157 0.000 1.933 477 A HA -0.232 4.088 4.320 -0.001 0.000 0.218 477 A C 2.328 179.782 177.584 -0.217 0.000 1.175 477 A CA 1.939 53.852 52.037 -0.208 0.000 0.628 477 A CB -0.813 18.141 19.000 -0.077 0.000 0.814 477 A HN 0.508 nan 8.150 nan 0.000 0.444 478 K N -0.968 119.333 120.400 -0.164 0.000 2.076 478 K HA -0.088 4.232 4.320 -0.001 0.000 0.204 478 K C 1.781 178.292 176.600 -0.149 0.000 1.051 478 K CA 1.764 57.977 56.287 -0.124 0.000 0.949 478 K CB -0.043 32.409 32.500 -0.080 0.000 0.726 478 K HN 0.598 nan 8.250 nan 0.000 0.443 479 T N -4.814 109.626 114.554 -0.191 0.000 2.975 479 T HA 0.257 4.607 4.350 -0.001 0.000 0.257 479 T C 1.112 175.677 174.700 -0.224 0.000 1.003 479 T CA 0.469 62.469 62.100 -0.168 0.000 0.932 479 T CB 0.939 69.740 68.868 -0.111 0.000 1.087 479 T HN 0.315 nan 8.240 nan 0.000 0.512 480 G N 1.469 110.008 108.800 -0.436 0.000 2.157 480 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.248 480 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.248 480 G C -0.179 174.640 174.900 -0.135 0.000 0.979 480 G CA 0.033 44.829 45.100 -0.507 0.000 0.650 480 G HN 0.828 nan 8.290 nan 0.000 0.529 481 N N -0.202 118.414 118.700 -0.140 0.000 2.454 481 N HA 0.498 5.237 4.740 -0.001 0.000 0.291 481 N C -2.018 173.345 175.510 -0.245 0.000 1.079 481 N CA -1.697 51.239 53.050 -0.191 0.000 0.893 481 N CB 2.331 40.777 38.487 -0.069 0.000 1.512 481 N HN -0.115 nan 8.380 nan 0.000 0.497 482 P HA 0.011 nan 4.420 nan 0.000 0.223 482 P C -0.342 176.981 177.300 0.038 0.000 1.151 482 P CA 0.771 63.733 63.100 -0.230 0.000 0.787 482 P CB 0.204 31.539 31.700 -0.609 0.000 0.788 483 N N 1.181 119.862 118.700 -0.033 0.000 2.529 483 N HA 0.060 4.800 4.740 -0.001 0.000 0.278 483 N C 0.222 175.772 175.510 0.067 0.000 1.146 483 N CA -0.030 53.087 53.050 0.112 0.000 0.980 483 N CB 0.648 39.198 38.487 0.105 0.000 1.124 483 N HN 0.059 nan 8.380 nan 0.000 0.458 484 E N 2.034 122.306 120.200 0.120 0.000 2.299 484 E HA 0.175 4.525 4.350 -0.001 0.000 0.272 484 E C -2.081 174.543 176.600 0.040 0.000 1.043 484 E CA -1.452 55.007 56.400 0.098 0.000 0.895 484 E CB 0.367 30.168 29.700 0.168 0.000 1.011 484 E HN 0.221 nan 8.360 nan 0.000 0.432 485 P HA -0.021 nan 4.420 nan 0.000 0.261 485 P C -0.759 176.474 177.300 -0.111 0.000 1.203 485 P CA 0.455 63.450 63.100 -0.174 0.000 0.767 485 P CB 0.224 31.837 31.700 -0.146 0.000 0.785 486 H N -0.574 118.533 119.070 0.062 0.000 2.931 486 H HA -0.113 4.443 4.556 -0.001 0.000 0.290 486 H C 0.329 175.692 175.328 0.059 0.000 1.264 486 H CA 0.857 56.939 56.048 0.055 0.000 1.140 486 H CB -1.921 27.868 29.762 0.044 0.000 1.343 486 H HN 0.540 nan 8.280 nan 0.000 0.403 487 S N -0.511 115.272 115.700 0.137 0.000 2.713 487 S HA 0.427 4.896 4.470 -0.001 0.000 0.283 487 S C 1.169 175.832 174.600 0.105 0.000 1.161 487 S CA -0.763 57.507 58.200 0.118 0.000 0.999 487 S CB 2.479 65.749 63.200 0.117 0.000 1.039 487 S HN 0.156 nan 8.310 nan 0.000 0.548 488 Q N 0.070 119.922 119.800 0.086 0.000 2.319 488 Q HA 0.235 4.575 4.340 -0.001 0.000 0.202 488 Q C -0.067 175.978 176.000 0.075 0.000 0.896 488 Q CA 0.144 55.992 55.803 0.074 0.000 0.942 488 Q CB 0.179 28.951 28.738 0.056 0.000 1.083 488 Q HN 0.755 nan 8.270 nan 0.000 0.510 489 E N 0.711 120.964 120.200 0.089 0.000 2.374 489 E HA 0.446 4.796 4.350 -0.001 0.000 0.260 489 E C 0.228 176.900 176.600 0.121 0.000 1.101 489 E CA 0.067 56.526 56.400 0.098 0.000 0.907 489 E CB 0.581 30.347 29.700 0.109 0.000 1.014 489 E HN 0.484 nan 8.360 nan 0.000 0.427 490 S N 1.880 117.653 115.700 0.121 0.000 2.552 490 S HA 0.150 4.620 4.470 -0.001 0.000 0.289 490 S C 0.439 175.149 174.600 0.184 0.000 1.304 490 S CA 0.022 58.297 58.200 0.125 0.000 1.063 490 S CB 0.050 63.310 63.200 0.101 0.000 0.848 490 S HN 0.229 nan 8.310 nan 0.000 0.499 491 K N 1.674 122.177 120.400 0.172 0.000 2.172 491 K HA 0.166 4.485 4.320 -0.001 0.000 0.276 491 K C -0.636 176.133 176.600 0.282 0.000 1.013 491 K CA -0.498 55.924 56.287 0.225 0.000 0.913 491 K CB 0.926 33.534 32.500 0.180 0.000 1.055 491 K HN 0.793 nan 8.250 nan 0.000 0.461 492 W N 7.164 128.524 121.300 0.099 0.000 2.481 492 W HA 0.178 4.837 4.660 -0.001 0.000 0.320 492 W C -2.271 174.369 176.519 0.201 0.000 1.209 492 W CA -2.569 54.827 57.345 0.085 0.000 1.400 492 W CB -0.077 29.337 29.460 -0.078 0.000 1.361 492 W HN 0.376 nan 8.180 nan 0.000 0.456 493 P HA 0.010 nan 4.420 nan 0.000 0.272 493 P C -0.530 176.986 177.300 0.361 0.000 1.223 493 P CA -0.434 62.890 63.100 0.373 0.000 0.784 493 P CB 1.533 33.367 31.700 0.224 0.000 0.923 494 L N 3.220 124.516 121.223 0.122 0.000 2.416 494 L HA 0.251 4.591 4.340 -0.001 0.000 0.272 494 L C -0.140 176.721 176.870 -0.014 0.000 1.161 494 L CA -0.348 54.371 54.840 -0.201 0.000 0.845 494 L CB -0.595 41.352 42.059 -0.187 0.000 1.119 494 L HN 0.219 nan 8.230 nan 0.000 0.464 495 F N 4.541 124.392 119.950 -0.165 0.000 2.445 495 F HA 0.482 5.008 4.527 -0.001 0.000 0.359 495 F C 0.272 176.046 175.800 -0.044 0.000 1.101 495 F CA -0.175 57.817 58.000 -0.014 0.000 1.177 495 F CB 0.502 39.522 39.000 0.033 0.000 1.110 495 F HN 0.659 nan 8.300 nan 0.000 0.522 496 T N 1.284 115.594 114.554 -0.407 0.000 2.932 496 T HA 0.269 4.618 4.350 -0.001 0.000 0.289 496 T C 0.927 175.379 174.700 -0.414 0.000 1.039 496 T CA -0.427 61.522 62.100 -0.251 0.000 1.024 496 T CB 1.514 70.289 68.868 -0.156 0.000 1.090 496 T HN 0.540 nan 8.240 nan 0.000 0.496 497 T N 0.724 115.186 114.554 -0.154 0.000 2.737 497 T HA -0.111 4.239 4.350 -0.001 0.000 0.269 497 T C 1.720 176.334 174.700 -0.143 0.000 1.040 497 T CA 1.694 63.734 62.100 -0.100 0.000 1.142 497 T CB -0.244 68.599 68.868 -0.041 0.000 0.861 497 T HN 0.730 nan 8.240 nan 0.000 0.456 498 K N 0.368 120.683 120.400 -0.142 0.000 2.044 498 K HA -0.042 4.278 4.320 -0.001 0.000 0.204 498 K C 2.158 178.679 176.600 -0.131 0.000 1.045 498 K CA 0.923 57.144 56.287 -0.109 0.000 0.951 498 K CB 0.176 32.629 32.500 -0.079 0.000 0.738 498 K HN 0.114 nan 8.250 nan 0.000 0.443 499 E N 0.703 120.799 120.200 -0.174 0.000 2.190 499 E HA -0.072 4.278 4.350 -0.001 0.000 0.191 499 E C -0.034 176.435 176.600 -0.219 0.000 0.978 499 E CA 0.358 56.667 56.400 -0.153 0.000 0.839 499 E CB 0.144 29.775 29.700 -0.115 0.000 0.787 499 E HN 0.317 nan 8.360 nan 0.000 0.473 500 Q N 0.933 120.425 119.800 -0.512 0.000 2.435 500 Q HA -0.208 4.131 4.340 -0.001 0.000 0.312 500 Q C -0.599 175.307 176.000 -0.156 0.000 1.333 500 Q CA 0.693 56.011 55.803 -0.808 0.000 0.883 500 Q CB -1.647 26.895 28.738 -0.327 0.000 1.170 500 Q HN 0.190 nan 8.270 nan 0.000 0.443 501 K N 0.625 120.981 120.400 -0.073 0.000 2.154 501 K HA 0.611 4.930 4.320 -0.001 0.000 0.264 501 K C -0.007 176.892 176.600 0.498 0.000 1.008 501 K CA -0.027 56.365 56.287 0.177 0.000 0.937 501 K CB 0.534 33.080 32.500 0.077 0.000 1.002 501 K HN 0.221 nan 8.250 nan 0.000 0.469 502 F N -0.348 119.764 119.950 0.271 0.000 2.711 502 F HA 0.599 5.126 4.527 -0.001 0.000 0.313 502 F C -1.108 174.796 175.800 0.173 0.000 1.141 502 F CA -1.534 56.659 58.000 0.322 0.000 0.941 502 F CB 0.718 39.923 39.000 0.341 0.000 1.349 502 F HN 0.424 nan 8.300 nan 0.000 0.464 503 I N -0.763 119.900 120.570 0.155 0.000 2.846 503 I HA 0.657 4.826 4.170 -0.001 0.000 0.307 503 I C -1.163 175.067 176.117 0.189 0.000 1.053 503 I CA -0.857 60.381 61.300 -0.104 0.000 1.050 503 I CB 2.077 39.816 38.000 -0.435 0.000 1.239 503 I HN 0.461 nan 8.210 nan 0.000 0.439 504 D N 3.763 124.266 120.400 0.171 0.000 2.253 504 D HA 0.519 5.158 4.640 -0.001 0.000 0.249 504 D C -0.698 175.683 176.300 0.135 0.000 1.049 504 D CA -0.001 54.195 54.000 0.327 0.000 0.929 504 D CB 2.430 43.429 40.800 0.333 0.000 1.176 504 D HN 0.438 nan 8.370 nan 0.000 0.437 505 L N 2.526 123.833 121.223 0.139 0.000 2.353 505 L HA 0.295 4.635 4.340 -0.001 0.000 0.270 505 L C -0.457 176.338 176.870 -0.125 0.000 1.003 505 L CA -0.541 54.330 54.840 0.052 0.000 0.862 505 L CB 0.527 42.695 42.059 0.182 0.000 1.221 505 L HN 0.458 nan 8.230 nan 0.000 0.430 506 N N -0.867 117.764 118.700 -0.116 0.000 3.364 506 N HA 0.198 4.938 4.740 -0.001 0.000 0.294 506 N C 0.330 175.733 175.510 -0.177 0.000 1.562 506 N CA -0.313 52.616 53.050 -0.202 0.000 0.862 506 N CB 0.595 39.025 38.487 -0.095 0.000 1.691 506 N HN 0.125 nan 8.380 nan 0.000 0.572 507 T N -3.649 110.775 114.554 -0.217 0.000 3.148 507 T HA 0.147 4.497 4.350 -0.001 0.000 0.253 507 T C -0.057 174.611 174.700 -0.054 0.000 1.134 507 T CA 0.402 62.407 62.100 -0.159 0.000 1.051 507 T CB -0.332 68.423 68.868 -0.189 0.000 0.959 507 T HN 0.391 nan 8.240 nan 0.000 0.525 508 E N 2.157 122.343 120.200 -0.024 0.000 2.280 508 E HA 0.403 4.752 4.350 -0.001 0.000 0.264 508 E C -2.591 174.013 176.600 0.007 0.000 1.064 508 E CA -2.707 53.696 56.400 0.005 0.000 0.900 508 E CB 0.319 30.035 29.700 0.026 0.000 1.123 508 E HN 0.157 nan 8.360 nan 0.000 0.418 509 P HA -0.032 nan 4.420 nan 0.000 0.264 509 P C 0.100 177.406 177.300 0.009 0.000 1.183 509 P CA 0.362 63.470 63.100 0.013 0.000 0.763 509 P CB 0.309 32.017 31.700 0.013 0.000 0.807 510 M N 3.554 123.162 119.600 0.013 0.000 2.261 510 M HA -0.042 4.438 4.480 -0.001 0.000 0.350 510 M C -0.317 175.950 176.300 -0.054 0.000 1.343 510 M CA 1.209 56.505 55.300 -0.007 0.000 1.003 510 M CB -0.022 32.590 32.600 0.020 0.000 1.848 510 M HN 0.229 nan 8.290 nan 0.000 0.456 511 K N 4.024 124.356 120.400 -0.114 0.000 2.397 511 K HA 0.546 4.866 4.320 -0.001 0.000 0.253 511 K C -1.549 174.769 176.600 -0.470 0.000 0.932 511 K CA -0.855 55.278 56.287 -0.258 0.000 0.795 511 K CB 2.504 34.862 32.500 -0.236 0.000 1.159 511 K HN 0.510 nan 8.250 nan 0.000 0.424 512 V N 4.165 123.780 119.914 -0.499 0.000 2.481 512 V HA 0.327 4.447 4.120 -0.001 0.000 0.286 512 V C -0.084 175.548 176.094 -0.770 0.000 1.042 512 V CA -0.529 61.474 62.300 -0.497 0.000 0.928 512 V CB 1.106 32.794 31.823 -0.224 0.000 0.986 512 V HN 0.712 nan 8.190 nan 0.000 0.462 513 H N 2.952 121.671 119.070 -0.584 0.000 2.869 513 H HA 0.671 5.227 4.556 -0.001 0.000 0.342 513 H C -0.999 174.042 175.328 -0.478 0.000 1.250 513 H CA -0.821 54.841 56.048 -0.643 0.000 1.217 513 H CB 2.163 31.305 29.762 -1.032 0.000 1.917 513 H HN 0.576 nan 8.280 nan 0.000 0.586 514 Q N 0.212 120.037 119.800 0.042 0.000 2.421 514 Q HA 0.369 4.709 4.340 -0.001 0.000 0.280 514 Q C -0.674 175.562 176.000 0.393 0.000 1.085 514 Q CA -0.920 55.022 55.803 0.232 0.000 0.807 514 Q CB 2.911 31.704 28.738 0.093 0.000 1.405 514 Q HN 0.462 nan 8.270 nan 0.000 0.419 515 R N 0.957 121.675 120.500 0.363 0.000 3.079 515 R HA -0.208 4.132 4.340 -0.001 0.000 0.254 515 R C -0.598 175.838 176.300 0.227 0.000 0.900 515 R CA -0.129 56.126 56.100 0.258 0.000 0.641 515 R CB -1.526 28.868 30.300 0.158 0.000 1.307 515 R HN 0.473 nan 8.270 nan 0.000 0.477 516 L N 2.367 123.656 121.223 0.109 0.000 2.660 516 L HA -0.055 4.285 4.340 -0.001 0.000 0.272 516 L C 0.901 177.730 176.870 -0.069 0.000 1.194 516 L CA 0.820 55.511 54.840 -0.248 0.000 0.945 516 L CB -0.120 41.475 42.059 -0.773 0.000 1.212 516 L HN 0.434 nan 8.230 nan 0.000 0.490 517 R N 2.404 122.879 120.500 -0.041 0.000 3.266 517 R HA -0.224 4.116 4.340 -0.001 0.000 0.245 517 R C 1.241 177.599 176.300 0.096 0.000 0.941 517 R CA 0.659 56.781 56.100 0.037 0.000 0.638 517 R CB -1.827 28.512 30.300 0.065 0.000 1.019 517 R HN 0.691 nan 8.270 nan 0.000 0.462 518 V N 0.354 120.323 119.914 0.093 0.000 2.407 518 V HA -0.332 3.787 4.120 -0.001 0.000 0.248 518 V C 2.350 178.515 176.094 0.119 0.000 1.055 518 V CA 2.571 64.940 62.300 0.115 0.000 1.049 518 V CB -0.046 31.841 31.823 0.106 0.000 0.662 518 V HN 0.504 nan 8.190 nan 0.000 0.455 519 Q N -0.665 119.187 119.800 0.086 0.000 2.030 519 Q HA -0.212 4.127 4.340 -0.001 0.000 0.204 519 Q C 2.118 178.179 176.000 0.102 0.000 0.986 519 Q CA 2.515 58.356 55.803 0.063 0.000 0.843 519 Q CB -0.354 28.391 28.738 0.010 0.000 0.904 519 Q HN 0.528 nan 8.270 nan 0.000 0.420 520 M N -1.033 118.649 119.600 0.136 0.000 2.229 520 M HA -0.120 4.360 4.480 -0.001 0.000 0.264 520 M C 2.305 178.890 176.300 0.475 0.000 1.063 520 M CA 0.870 56.327 55.300 0.261 0.000 1.114 520 M CB -1.144 31.666 32.600 0.351 0.000 1.387 520 M HN 0.340 nan 8.290 nan 0.000 0.420 521 c N -0.487 118.339 118.600 0.377 0.000 2.448 521 c HA -0.015 4.555 4.570 -0.001 0.000 0.280 521 c C 2.905 177.183 174.090 0.314 0.000 1.398 521 c CA 0.191 56.755 56.329 0.391 0.000 1.774 521 c CB -0.854 41.818 42.510 0.270 0.000 1.888 521 c HN 0.311 nan 8.230 nan 0.000 0.519 522 V N 0.478 120.539 119.914 0.244 0.000 2.427 522 V HA -0.198 3.922 4.120 -0.001 0.000 0.248 522 V C 2.024 178.243 176.094 0.208 0.000 1.051 522 V CA 2.020 64.435 62.300 0.192 0.000 1.048 522 V CB -0.748 31.160 31.823 0.142 0.000 0.666 522 V HN 0.570 nan 8.190 nan 0.000 0.456 523 F N -0.025 119.970 119.950 0.075 0.000 2.075 523 F HA -0.179 4.348 4.527 -0.001 0.000 0.297 523 F C 1.985 177.780 175.800 -0.008 0.000 1.113 523 F CA 1.724 59.721 58.000 -0.005 0.000 1.218 523 F CB -0.399 38.477 39.000 -0.207 0.000 0.984 523 F HN 0.163 nan 8.300 nan 0.000 0.472 524 W N 0.545 121.954 121.300 0.182 0.000 2.418 524 W HA -0.100 4.560 4.660 -0.001 0.000 0.292 524 W C 2.060 178.564 176.519 -0.025 0.000 1.213 524 W CA 0.828 58.208 57.345 0.057 0.000 1.283 524 W CB -0.455 29.153 29.460 0.248 0.000 1.119 524 W HN -0.026 nan 8.180 nan 0.000 0.542 525 N N -0.700 118.134 118.700 0.223 0.000 2.405 525 N HA -0.014 4.725 4.740 -0.001 0.000 0.175 525 N C 1.318 176.835 175.510 0.012 0.000 1.051 525 N CA 0.932 54.025 53.050 0.071 0.000 0.899 525 N CB -0.010 38.537 38.487 0.100 0.000 1.000 525 N HN 0.371 nan 8.380 nan 0.000 0.451 526 Q N -1.294 118.530 119.800 0.041 0.000 2.631 526 Q HA 0.215 4.554 4.340 -0.001 0.000 0.220 526 Q C 1.175 177.178 176.000 0.005 0.000 0.819 526 Q CA -0.175 55.650 55.803 0.037 0.000 0.914 526 Q CB 0.079 28.873 28.738 0.093 0.000 1.248 526 Q HN 0.103 nan 8.270 nan 0.000 0.629 527 F N 1.821 121.681 119.950 -0.149 0.000 2.060 527 F HA -0.155 4.371 4.527 -0.001 0.000 0.295 527 F C 1.937 177.550 175.800 -0.312 0.000 1.120 527 F CA 1.015 58.892 58.000 -0.205 0.000 1.205 527 F CB -0.280 38.609 39.000 -0.185 0.000 0.986 527 F HN 0.052 nan 8.300 nan 0.000 0.470 528 L N 1.167 121.977 121.223 -0.690 0.000 2.012 528 L HA -0.087 4.253 4.340 -0.001 0.000 0.210 528 L C -0.861 175.744 176.870 -0.441 0.000 1.073 528 L CA 2.172 56.567 54.840 -0.742 0.000 0.748 528 L CB -1.937 39.632 42.059 -0.815 0.000 0.891 528 L HN 0.009 nan 8.230 nan 0.000 0.431 529 P HA -0.205 nan 4.420 nan 0.000 0.216 529 P C 1.494 178.677 177.300 -0.194 0.000 1.150 529 P CA 1.566 64.569 63.100 -0.161 0.000 0.837 529 P CB -0.044 31.593 31.700 -0.105 0.000 0.786 530 K N -0.229 120.022 120.400 -0.249 0.000 2.057 530 K HA -0.123 4.196 4.320 -0.001 0.000 0.206 530 K C 2.025 178.450 176.600 -0.291 0.000 1.050 530 K CA 0.957 57.108 56.287 -0.227 0.000 0.935 530 K CB -0.699 31.680 32.500 -0.201 0.000 0.715 530 K HN 0.063 nan 8.250 nan 0.000 0.439 531 L N 0.995 121.925 121.223 -0.488 0.000 2.017 531 L HA -0.154 4.186 4.340 -0.001 0.000 0.208 531 L C 2.027 178.743 176.870 -0.256 0.000 1.073 531 L CA 1.194 55.767 54.840 -0.445 0.000 0.745 531 L CB -0.142 41.515 42.059 -0.671 0.000 0.894 531 L HN 0.223 nan 8.230 nan 0.000 0.432 532 L N 0.035 121.118 121.223 -0.232 0.000 2.141 532 L HA -0.211 4.128 4.340 -0.001 0.000 0.209 532 L C 2.387 179.198 176.870 -0.098 0.000 1.094 532 L CA 1.366 56.121 54.840 -0.142 0.000 0.763 532 L CB -0.804 41.192 42.059 -0.105 0.000 0.908 532 L HN 0.489 nan 8.230 nan 0.000 0.437 533 N N 0.417 119.056 118.700 -0.103 0.000 2.409 533 N HA -0.080 4.660 4.740 -0.001 0.000 0.179 533 N C 1.659 177.130 175.510 -0.066 0.000 1.032 533 N CA 1.084 54.092 53.050 -0.071 0.000 0.898 533 N CB 0.399 38.846 38.487 -0.066 0.000 0.971 533 N HN 0.287 nan 8.380 nan 0.000 0.441 534 A N 0.086 122.855 122.820 -0.085 0.000 1.984 534 A HA 0.082 4.401 4.320 -0.001 0.000 0.214 534 A C 1.344 178.894 177.584 -0.057 0.000 1.173 534 A CA 1.008 53.005 52.037 -0.067 0.000 0.673 534 A CB -0.368 18.586 19.000 -0.076 0.000 0.830 534 A HN 0.488 nan 8.150 nan 0.000 0.453 535 T N 0.000 114.513 114.554 -0.069 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.068 62.100 -0.054 0.000 1.349 535 T CB 0.000 68.831 68.868 -0.061 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658