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 2v98_1_B 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 0.000 174.621 174.600 0.035 0.000 1.055 4 S CA 0.000 58.212 58.200 0.021 0.000 1.107 4 S CB 0.000 63.211 63.200 0.018 0.000 0.593 5 E N 0.864 121.091 120.200 0.045 0.000 2.399 5 E HA 0.290 4.640 4.350 -0.000 0.000 0.205 5 E C 0.701 177.368 176.600 0.112 0.000 0.906 5 E CA 0.085 56.531 56.400 0.078 0.000 0.998 5 E CB 0.081 29.827 29.700 0.077 0.000 1.002 5 E HN 0.685 nan 8.360 nan 0.000 0.501 6 L N 2.017 123.273 121.223 0.055 0.000 2.645 6 L HA 0.211 4.551 4.340 -0.000 0.000 0.234 6 L C -0.100 176.797 176.870 0.046 0.000 1.165 6 L CA -0.123 54.717 54.840 -0.001 0.000 0.944 6 L CB 0.189 42.202 42.059 -0.078 0.000 1.149 6 L HN 0.114 nan 8.230 nan 0.000 0.446 7 L N 0.011 121.310 121.223 0.127 0.000 2.408 7 L HA 0.636 4.976 4.340 -0.000 0.000 0.268 7 L C -0.889 176.065 176.870 0.140 0.000 0.986 7 L CA -0.550 54.380 54.840 0.150 0.000 0.820 7 L CB 2.172 44.279 42.059 0.082 0.000 1.303 7 L HN -0.317 nan 8.230 nan 0.000 0.411 8 V N 4.471 124.471 119.914 0.144 0.000 2.524 8 V HA 0.390 4.510 4.120 -0.000 0.000 0.297 8 V C -0.185 175.829 176.094 -0.134 0.000 1.035 8 V CA -0.763 61.482 62.300 -0.091 0.000 0.867 8 V CB 1.635 33.214 31.823 -0.406 0.000 1.004 8 V HN 0.749 nan 8.190 nan 0.000 0.426 9 N N 4.065 122.602 118.700 -0.272 0.000 2.819 9 N HA 0.041 4.781 4.740 -0.000 0.000 0.284 9 N C 0.623 175.789 175.510 -0.573 0.000 1.196 9 N CA 0.098 52.950 53.050 -0.330 0.000 1.114 9 N CB 0.512 38.793 38.487 -0.343 0.000 1.437 9 N HN 0.923 nan 8.380 nan 0.000 0.518 10 T N -0.461 113.915 114.554 -0.298 0.000 2.734 10 T HA 0.099 4.449 4.350 -0.000 0.000 0.314 10 T C 1.452 176.014 174.700 -0.230 0.000 1.057 10 T CA -0.274 61.712 62.100 -0.191 0.000 1.047 10 T CB 1.012 70.021 68.868 0.236 0.000 0.991 10 T HN 0.113 nan 8.240 nan 0.000 0.540 11 K N 0.602 120.963 120.400 -0.065 0.000 2.209 11 K HA -0.021 4.299 4.320 -0.000 0.000 0.204 11 K C 2.395 178.915 176.600 -0.132 0.000 1.048 11 K CA 1.040 57.289 56.287 -0.063 0.000 0.940 11 K CB -0.507 32.001 32.500 0.014 0.000 0.729 11 K HN 0.630 nan 8.250 nan 0.000 0.451 12 S N -0.711 114.905 115.700 -0.139 0.000 2.483 12 S HA 0.194 4.664 4.470 -0.000 0.000 0.221 12 S C 0.934 174.928 174.600 -1.010 0.000 1.030 12 S CA 0.441 58.423 58.200 -0.363 0.000 0.925 12 S CB 0.822 63.983 63.200 -0.065 0.000 0.795 12 S HN 0.498 nan 8.310 nan 0.000 0.511 13 G N 0.613 108.960 108.800 -0.755 0.000 2.335 13 G HA2 0.371 4.331 3.960 -0.000 0.000 0.291 13 G HA3 0.371 4.331 3.960 -0.000 0.000 0.291 13 G C -2.081 172.789 174.900 -0.049 0.000 1.261 13 G CA -0.948 43.651 45.100 -0.836 0.000 0.871 13 G HN 0.067 nan 8.290 nan 0.000 0.491 14 K N -0.458 120.103 120.400 0.269 0.000 2.123 14 K HA 0.683 5.003 4.320 -0.000 0.000 0.259 14 K C -0.950 175.980 176.600 0.549 0.000 0.960 14 K CA -0.674 55.812 56.287 0.333 0.000 0.872 14 K CB 2.443 35.076 32.500 0.221 0.000 1.079 14 K HN 0.267 nan 8.250 nan 0.000 0.440 15 V N 3.063 123.243 119.914 0.444 0.000 2.444 15 V HA 0.263 4.382 4.120 -0.000 0.000 0.294 15 V C -0.710 175.595 176.094 0.352 0.000 1.022 15 V CA -0.834 61.766 62.300 0.500 0.000 0.850 15 V CB 1.466 33.699 31.823 0.683 0.000 0.992 15 V HN 0.718 nan 8.190 nan 0.000 0.426 16 M N 5.099 124.846 119.600 0.245 0.000 2.589 16 M HA 0.573 5.053 4.480 -0.000 0.000 0.340 16 M C 0.566 176.846 176.300 -0.033 0.000 1.308 16 M CA -0.159 55.198 55.300 0.096 0.000 1.332 16 M CB -0.013 32.632 32.600 0.076 0.000 1.219 16 M HN 0.772 nan 8.290 nan 0.000 0.467 17 G N 1.624 110.289 108.800 -0.226 0.000 2.651 17 G HA2 0.445 4.405 3.960 -0.000 0.000 0.260 17 G HA3 0.445 4.405 3.960 -0.000 0.000 0.260 17 G C -0.302 174.418 174.900 -0.300 0.000 1.216 17 G CA -0.239 44.547 45.100 -0.523 0.000 0.913 17 G HN 0.586 nan 8.290 nan 0.000 0.535 18 T N -1.553 112.832 114.554 -0.282 0.000 2.676 18 T HA 0.647 4.997 4.350 -0.000 0.000 0.269 18 T C -0.645 173.991 174.700 -0.108 0.000 0.952 18 T CA -0.793 61.215 62.100 -0.152 0.000 1.040 18 T CB 1.025 69.829 68.868 -0.106 0.000 1.352 18 T HN 0.433 nan 8.240 nan 0.000 0.554 19 R N 1.263 121.736 120.500 -0.045 0.000 2.451 19 R HA 0.562 4.902 4.340 -0.000 0.000 0.307 19 R C -1.055 175.358 176.300 0.189 0.000 0.965 19 R CA -0.755 55.364 56.100 0.032 0.000 0.865 19 R CB 1.790 31.997 30.300 -0.156 0.000 1.174 19 R HN 0.542 nan 8.270 nan 0.000 0.455 20 V N 0.808 120.863 119.914 0.234 0.000 2.427 20 V HA 0.560 4.680 4.120 -0.000 0.000 0.286 20 V C -2.320 173.820 176.094 0.077 0.000 1.034 20 V CA -2.671 59.733 62.300 0.175 0.000 0.893 20 V CB 1.342 33.253 31.823 0.147 0.000 0.982 20 V HN 0.600 nan 8.190 nan 0.000 0.452 21 P HA 0.278 nan 4.420 nan 0.000 0.281 21 P C -0.747 176.391 177.300 -0.270 0.000 1.286 21 P CA 0.068 62.953 63.100 -0.359 0.000 0.772 21 P CB 1.692 33.249 31.700 -0.238 0.000 0.862 22 V N 6.510 126.213 119.914 -0.352 0.000 2.524 22 V HA 0.214 4.334 4.120 -0.000 0.000 0.297 22 V C 0.284 176.137 176.094 -0.402 0.000 1.035 22 V CA -0.941 61.141 62.300 -0.363 0.000 0.867 22 V CB 0.622 32.150 31.823 -0.493 0.000 1.004 22 V HN 0.463 nan 8.190 nan 0.000 0.426 23 L N 5.583 126.652 121.223 -0.257 0.000 3.762 23 L HA -0.207 4.133 4.340 -0.000 0.000 0.460 23 L C 0.900 177.631 176.870 -0.230 0.000 1.255 23 L CA 0.838 55.549 54.840 -0.216 0.000 0.783 23 L CB -1.953 39.968 42.059 -0.230 0.000 1.600 23 L HN 1.041 nan 8.230 nan 0.000 0.862 24 S N -1.511 114.073 115.700 -0.195 0.000 3.635 24 S HA -0.148 4.322 4.470 -0.000 0.000 0.328 24 S C 0.182 174.691 174.600 -0.150 0.000 1.135 24 S CA 1.325 59.438 58.200 -0.145 0.000 0.942 24 S CB -0.596 62.562 63.200 -0.071 0.000 0.930 24 S HN 0.923 nan 8.310 nan 0.000 0.512 25 S N -1.226 114.315 115.700 -0.266 0.000 2.580 25 S HA 0.599 5.069 4.470 -0.000 0.000 0.281 25 S C -0.698 173.753 174.600 -0.249 0.000 1.129 25 S CA -0.748 57.358 58.200 -0.158 0.000 0.862 25 S CB 0.854 64.052 63.200 -0.003 0.000 1.090 25 S HN 0.414 nan 8.310 nan 0.000 0.451 26 H N 2.337 121.420 119.070 0.022 0.000 2.748 26 H HA 0.803 5.358 4.556 -0.000 0.000 0.288 26 H C 0.949 176.349 175.328 0.121 0.000 1.539 26 H CA 0.162 56.234 56.048 0.040 0.000 1.577 26 H CB 0.528 30.316 29.762 0.044 0.000 1.721 26 H HN 0.688 nan 8.280 nan 0.000 0.869 27 I N -4.540 116.212 120.570 0.302 0.000 1.443 27 I HA 0.441 4.610 4.170 -0.000 0.000 0.290 27 I C -0.972 175.293 176.117 0.246 0.000 0.345 27 I CA -0.700 60.768 61.300 0.281 0.000 3.342 27 I CB 0.810 39.002 38.000 0.319 0.000 1.551 27 I HN 0.336 nan 8.210 nan 0.000 0.548 28 S N 0.119 115.992 115.700 0.288 0.000 2.543 28 S HA 0.819 5.289 4.470 -0.000 0.000 0.274 28 S C -1.312 173.382 174.600 0.155 0.000 1.149 28 S CA -0.168 58.144 58.200 0.186 0.000 0.866 28 S CB 2.235 65.646 63.200 0.352 0.000 1.111 28 S HN 0.901 nan 8.310 nan 0.000 0.457 29 A N 1.708 124.442 122.820 -0.142 0.000 2.446 29 A HA 0.745 5.065 4.320 -0.000 0.000 0.282 29 A C -1.313 176.068 177.584 -0.337 0.000 1.102 29 A CA -0.492 51.392 52.037 -0.256 0.000 0.737 29 A CB 0.182 19.047 19.000 -0.225 0.000 1.212 29 A HN 0.623 nan 8.150 nan 0.000 0.434 30 F N 3.046 122.884 119.950 -0.185 0.000 2.883 30 F HA 0.317 4.844 4.527 -0.000 0.000 0.312 30 F C 0.213 175.920 175.800 -0.155 0.000 1.246 30 F CA -0.553 57.413 58.000 -0.057 0.000 1.238 30 F CB 0.174 39.234 39.000 0.100 0.000 1.195 30 F HN 0.406 nan 8.300 nan 0.000 0.526 31 L N 1.119 122.264 121.223 -0.130 0.000 2.455 31 L HA 0.400 4.740 4.340 -0.000 0.000 0.272 31 L C 1.204 178.039 176.870 -0.059 0.000 1.174 31 L CA 0.088 54.816 54.840 -0.186 0.000 0.869 31 L CB 0.136 41.963 42.059 -0.387 0.000 1.130 31 L HN 0.680 nan 8.230 nan 0.000 0.474 32 G N 3.868 112.657 108.800 -0.018 0.000 2.255 32 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.239 32 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.239 32 G C -0.303 174.652 174.900 0.092 0.000 1.083 32 G CA -0.617 44.484 45.100 0.002 0.000 0.826 32 G HN 0.494 nan 8.290 nan 0.000 0.493 33 I N 1.845 122.411 120.570 -0.007 0.000 2.331 33 I HA 0.320 4.490 4.170 -0.000 0.000 0.292 33 I C -1.754 174.105 176.117 -0.429 0.000 0.998 33 I CA -2.509 58.593 61.300 -0.330 0.000 1.267 33 I CB 1.811 39.594 38.000 -0.361 0.000 1.386 33 I HN -0.039 nan 8.210 nan 0.000 0.476 34 P HA 0.087 nan 4.420 nan 0.000 0.282 34 P C -0.263 176.633 177.300 -0.674 0.000 1.274 34 P CA -0.212 62.285 63.100 -1.005 0.000 0.770 34 P CB 0.463 31.533 31.700 -1.050 0.000 0.867 35 F N 1.963 121.532 119.950 -0.635 0.000 2.668 35 F HA 0.760 5.286 4.527 -0.000 0.000 0.297 35 F C 0.039 175.707 175.800 -0.220 0.000 1.124 35 F CA -1.081 56.628 58.000 -0.484 0.000 1.353 35 F CB 0.018 38.714 39.000 -0.506 0.000 0.992 35 F HN 0.445 nan 8.300 nan 0.000 0.524 36 A N -0.654 121.871 122.820 -0.492 0.000 2.452 36 A HA 0.432 4.752 4.320 -0.000 0.000 0.294 36 A C -1.242 176.143 177.584 -0.333 0.000 1.010 36 A CA -1.083 50.756 52.037 -0.331 0.000 0.613 36 A CB 0.414 19.179 19.000 -0.391 0.000 1.363 36 A HN 0.111 nan 8.150 nan 0.000 0.463 37 E N 0.584 120.671 120.200 -0.189 0.000 2.331 37 E HA 0.392 4.741 4.350 -0.000 0.000 0.272 37 E C -2.501 173.991 176.600 -0.180 0.000 1.036 37 E CA -1.594 54.724 56.400 -0.137 0.000 0.864 37 E CB 0.462 30.128 29.700 -0.057 0.000 1.035 37 E HN 0.257 nan 8.360 nan 0.000 0.408 38 P HA 0.001 nan 4.420 nan 0.000 0.263 38 P C -2.248 174.982 177.300 -0.117 0.000 1.195 38 P CA -0.778 62.236 63.100 -0.143 0.000 0.762 38 P CB -0.012 31.643 31.700 -0.074 0.000 0.799 39 P HA 0.010 nan 4.420 nan 0.000 0.230 39 P C -0.365 176.862 177.300 -0.121 0.000 1.791 39 P CA 0.130 63.163 63.100 -0.112 0.000 1.020 39 P CB -0.055 31.576 31.700 -0.115 0.000 1.977 40 V N -1.451 118.404 119.914 -0.098 0.000 2.994 40 V HA 0.876 4.996 4.120 -0.000 0.000 0.318 40 V C 1.064 177.114 176.094 -0.074 0.000 1.085 40 V CA 0.228 62.469 62.300 -0.098 0.000 0.998 40 V CB 0.902 32.678 31.823 -0.078 0.000 1.063 40 V HN 0.566 nan 8.190 nan 0.000 0.447 41 G N 2.961 111.717 108.800 -0.074 0.000 2.686 41 G HA2 -0.436 3.524 3.960 -0.000 0.000 0.329 41 G HA3 -0.436 3.524 3.960 -0.000 0.000 0.329 41 G C 0.918 175.798 174.900 -0.034 0.000 1.187 41 G CA 1.152 46.224 45.100 -0.046 0.000 0.965 41 G HN 1.770 nan 8.290 nan 0.000 0.549 42 N N 0.697 119.394 118.700 -0.005 0.000 2.446 42 N HA 0.039 4.779 4.740 -0.000 0.000 0.179 42 N C 1.754 177.271 175.510 0.013 0.000 1.054 42 N CA 1.524 54.591 53.050 0.027 0.000 0.905 42 N CB -0.183 38.332 38.487 0.046 0.000 0.973 42 N HN 0.457 nan 8.380 nan 0.000 0.448 43 M N 0.906 120.494 119.600 -0.021 0.000 2.654 43 M HA 0.156 4.636 4.480 -0.000 0.000 0.217 43 M C 0.416 176.674 176.300 -0.071 0.000 1.183 43 M CA -0.036 55.245 55.300 -0.031 0.000 0.991 43 M CB -1.005 31.570 32.600 -0.042 0.000 1.749 43 M HN 0.158 nan 8.290 nan 0.000 0.475 44 R N -0.183 120.250 120.500 -0.110 0.000 2.368 44 R HA 0.290 4.630 4.340 -0.000 0.000 0.302 44 R C -0.267 175.920 176.300 -0.189 0.000 1.002 44 R CA -0.012 55.913 56.100 -0.292 0.000 0.929 44 R CB 0.595 30.600 30.300 -0.491 0.000 1.073 44 R HN 0.189 nan 8.270 nan 0.000 0.464 45 F N -0.228 119.729 119.950 0.012 0.000 2.705 45 F HA -0.299 4.228 4.527 -0.000 0.000 0.413 45 F C 0.188 175.973 175.800 -0.024 0.000 0.588 45 F CA 0.930 58.915 58.000 -0.024 0.000 1.187 45 F CB -1.291 37.690 39.000 -0.031 0.000 1.737 45 F HN 0.611 nan 8.300 nan 0.000 0.285 46 R N 0.735 121.312 120.500 0.128 0.000 2.573 46 R HA 0.627 4.967 4.340 -0.000 0.000 0.272 46 R C 0.351 176.678 176.300 0.045 0.000 1.009 46 R CA -1.129 55.020 56.100 0.082 0.000 1.059 46 R CB 0.811 31.150 30.300 0.065 0.000 1.112 46 R HN 0.062 nan 8.270 nan 0.000 0.517 47 R N 2.390 122.917 120.500 0.045 0.000 2.538 47 R HA 0.040 4.379 4.340 -0.000 0.000 0.282 47 R C -1.937 174.381 176.300 0.030 0.000 1.009 47 R CA -0.931 55.194 56.100 0.042 0.000 1.063 47 R CB -0.189 30.140 30.300 0.049 0.000 0.945 47 R HN 0.362 nan 8.270 nan 0.000 0.414 48 P HA 0.074 nan 4.420 nan 0.000 0.274 48 P C -0.759 176.554 177.300 0.023 0.000 1.246 48 P CA -0.125 62.981 63.100 0.010 0.000 0.795 48 P CB 0.925 32.633 31.700 0.013 0.000 1.006 49 E N 1.290 121.492 120.200 0.004 0.000 2.244 49 E HA 0.507 4.857 4.350 -0.000 0.000 0.266 49 E C -2.336 174.279 176.600 0.024 0.000 0.914 49 E CA -2.649 53.763 56.400 0.020 0.000 0.794 49 E CB 0.674 30.383 29.700 0.015 0.000 1.210 49 E HN 0.257 nan 8.360 nan 0.000 0.414 50 P HA 0.002 nan 4.420 nan 0.000 0.272 50 P C -1.088 176.252 177.300 0.067 0.000 1.248 50 P CA -0.182 62.972 63.100 0.090 0.000 0.799 50 P CB 0.415 32.179 31.700 0.108 0.000 0.997 51 K N 1.015 121.482 120.400 0.112 0.000 2.174 51 K HA 0.222 4.542 4.320 -0.000 0.000 0.275 51 K C -0.288 176.428 176.600 0.194 0.000 1.015 51 K CA -0.415 55.946 56.287 0.123 0.000 0.933 51 K CB 0.273 32.867 32.500 0.157 0.000 1.025 51 K HN 0.317 nan 8.250 nan 0.000 0.463 52 K N 3.673 124.201 120.400 0.212 0.000 2.185 52 K HA 0.458 4.778 4.320 -0.000 0.000 0.269 52 K C -2.522 174.259 176.600 0.301 0.000 0.987 52 K CA -2.167 54.238 56.287 0.197 0.000 0.865 52 K CB 1.074 33.661 32.500 0.146 0.000 1.090 52 K HN 0.288 nan 8.250 nan 0.000 0.450 53 P HA -0.141 nan 4.420 nan 0.000 0.263 53 P C -1.041 176.353 177.300 0.157 0.000 1.168 53 P CA 0.308 63.369 63.100 -0.065 0.000 0.759 53 P CB 0.116 31.744 31.700 -0.120 0.000 0.782 54 W N 1.975 123.366 121.300 0.152 0.000 2.797 54 W HA 0.750 5.409 4.660 -0.000 0.000 0.613 54 W C -0.490 176.100 176.519 0.119 0.000 1.441 54 W CA -0.184 57.257 57.345 0.161 0.000 0.909 54 W CB -0.399 29.224 29.460 0.273 0.000 3.233 54 W HN 0.416 nan 8.180 nan 0.000 0.725 55 S N -0.987 114.969 115.700 0.426 0.000 2.636 55 S HA 0.680 5.150 4.470 -0.000 0.000 0.268 55 S C 0.076 174.879 174.600 0.338 0.000 1.159 55 S CA -0.322 58.011 58.200 0.222 0.000 0.815 55 S CB 0.792 64.073 63.200 0.134 0.000 1.130 55 S HN 2.270 nan 8.310 nan 0.000 0.471 56 G N -0.033 108.886 108.800 0.198 0.000 2.531 56 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.274 56 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.274 56 G C -0.544 174.501 174.900 0.243 0.000 1.159 56 G CA 0.106 45.312 45.100 0.175 0.000 0.969 56 G HN 2.044 nan 8.290 nan 0.000 0.554 57 V N -1.568 118.477 119.914 0.218 0.000 2.623 57 V HA 0.606 4.726 4.120 -0.000 0.000 0.304 57 V C -0.204 176.024 176.094 0.223 0.000 1.054 57 V CA -0.722 61.730 62.300 0.252 0.000 0.882 57 V CB 1.858 33.769 31.823 0.147 0.000 1.002 57 V HN 0.851 nan 8.190 nan 0.000 0.424 58 W N 4.308 125.703 121.300 0.159 0.000 2.316 58 W HA 0.358 5.018 4.660 -0.000 0.000 0.321 58 W C 0.396 176.923 176.519 0.013 0.000 1.203 58 W CA -0.288 57.044 57.345 -0.021 0.000 1.214 58 W CB 1.323 30.684 29.460 -0.165 0.000 1.169 58 W HN 0.765 nan 8.180 nan 0.000 0.561 59 N N 2.352 121.132 118.700 0.133 0.000 2.381 59 N HA 0.175 4.914 4.740 -0.000 0.000 0.241 59 N C -0.161 175.510 175.510 0.267 0.000 1.279 59 N CA 1.201 54.332 53.050 0.134 0.000 0.896 59 N CB 1.318 39.797 38.487 -0.014 0.000 1.118 59 N HN 0.467 nan 8.380 nan 0.000 0.438 60 A N 0.230 123.108 122.820 0.098 0.000 2.574 60 A HA 0.070 4.390 4.320 -0.000 0.000 0.246 60 A C 0.657 178.187 177.584 -0.089 0.000 1.025 60 A CA -0.091 51.970 52.037 0.040 0.000 1.043 60 A CB -0.653 18.385 19.000 0.064 0.000 1.177 60 A HN 0.568 nan 8.150 nan 0.000 0.526 61 S N 0.093 115.744 115.700 -0.082 0.000 2.577 61 S HA 0.306 4.776 4.470 -0.000 0.000 0.219 61 S C 0.620 175.143 174.600 -0.127 0.000 0.962 61 S CA 0.579 58.711 58.200 -0.113 0.000 0.921 61 S CB -0.483 62.669 63.200 -0.079 0.000 0.789 61 S HN 1.001 nan 8.310 nan 0.000 0.497 62 T N -1.276 113.199 114.554 -0.132 0.000 2.916 62 T HA 0.627 4.977 4.350 -0.000 0.000 0.305 62 T C -0.918 173.700 174.700 -0.137 0.000 1.119 62 T CA -0.763 61.264 62.100 -0.123 0.000 1.008 62 T CB 0.715 69.551 68.868 -0.054 0.000 1.129 62 T HN 0.065 nan 8.240 nan 0.000 0.480 63 Y N 2.752 123.036 120.300 -0.027 0.000 2.379 63 Y HA 0.363 4.912 4.550 -0.000 0.000 0.337 63 Y C -1.452 174.395 175.900 -0.088 0.000 1.238 63 Y CA -1.271 56.811 58.100 -0.030 0.000 1.405 63 Y CB 0.521 38.986 38.460 0.009 0.000 1.310 63 Y HN 0.523 nan 8.280 nan 0.000 0.569 64 P HA 0.087 nan 4.420 nan 0.000 0.333 64 P C -0.796 176.473 177.300 -0.052 0.000 1.315 64 P CA -0.277 62.746 63.100 -0.128 0.000 0.746 64 P CB 1.042 32.641 31.700 -0.169 0.000 1.575 65 N N -0.688 117.969 118.700 -0.072 0.000 2.478 65 N HA 0.251 4.991 4.740 -0.000 0.000 0.275 65 N C -0.256 175.248 175.510 -0.011 0.000 1.221 65 N CA -0.341 52.687 53.050 -0.036 0.000 0.979 65 N CB 0.212 38.677 38.487 -0.037 0.000 1.202 65 N HN 0.374 nan 8.380 nan 0.000 0.564 66 N N -0.609 118.068 118.700 -0.039 0.000 2.361 66 N HA 0.324 5.064 4.740 -0.000 0.000 0.302 66 N C -0.611 174.862 175.510 -0.062 0.000 1.074 66 N CA -0.644 52.370 53.050 -0.062 0.000 0.850 66 N CB 1.503 39.933 38.487 -0.095 0.000 1.228 66 N HN 0.382 nan 8.380 nan 0.000 0.491 67 c N 1.591 120.152 118.600 -0.065 0.000 2.679 67 c HA 0.019 4.589 4.570 -0.000 0.000 0.417 67 c C 0.815 174.862 174.090 -0.072 0.000 1.302 67 c CA -0.592 55.694 56.329 -0.072 0.000 1.973 67 c CB -0.241 42.246 42.510 -0.038 0.000 2.715 67 c HN 0.535 nan 8.230 nan 0.000 0.628 68 Q N 2.808 122.526 119.800 -0.136 0.000 2.269 68 Q HA 0.104 4.444 4.340 -0.000 0.000 0.300 68 Q C -0.042 176.034 176.000 0.127 0.000 1.070 68 Q CA 1.213 56.967 55.803 -0.081 0.000 0.957 68 Q CB 0.106 28.628 28.738 -0.359 0.000 1.131 68 Q HN 0.894 nan 8.270 nan 0.000 0.377 69 Q N 1.563 121.465 119.800 0.170 0.000 2.386 69 Q HA 0.308 4.648 4.340 -0.000 0.000 0.274 69 Q C -1.205 174.993 176.000 0.330 0.000 1.011 69 Q CA -1.013 54.943 55.803 0.255 0.000 0.867 69 Q CB 0.748 29.541 28.738 0.092 0.000 1.409 69 Q HN 0.458 nan 8.270 nan 0.000 0.395 70 Y N 1.577 122.107 120.300 0.383 0.000 2.683 70 Y HA 0.313 4.863 4.550 -0.000 0.000 0.340 70 Y C -1.024 175.102 175.900 0.376 0.000 1.245 70 Y CA 0.281 58.639 58.100 0.430 0.000 1.485 70 Y CB 0.891 39.748 38.460 0.661 0.000 1.328 70 Y HN 0.472 nan 8.280 nan 0.000 0.603 71 V N 6.205 125.817 119.914 -0.504 0.000 2.376 71 V HA 0.103 4.223 4.120 -0.000 0.000 0.287 71 V C -0.732 174.900 176.094 -0.770 0.000 1.015 71 V CA -1.035 61.008 62.300 -0.428 0.000 0.834 71 V CB 1.300 33.033 31.823 -0.150 0.000 1.001 71 V HN 0.776 nan 8.190 nan 0.000 0.428 72 D N 3.773 123.876 120.400 -0.496 0.000 2.489 72 D HA 0.059 4.699 4.640 -0.000 0.000 0.237 72 D C 0.624 176.895 176.300 -0.049 0.000 1.212 72 D CA 0.032 53.886 54.000 -0.243 0.000 1.058 72 D CB 0.308 41.137 40.800 0.047 0.000 1.098 72 D HN 0.634 nan 8.370 nan 0.000 0.509 73 E N 2.638 122.782 120.200 -0.093 0.000 2.467 73 E HA -0.041 4.309 4.350 -0.000 0.000 0.321 73 E C 0.935 177.487 176.600 -0.080 0.000 1.388 73 E CA -0.152 56.226 56.400 -0.037 0.000 1.508 73 E CB 0.470 30.149 29.700 -0.034 0.000 1.250 73 E HN 0.514 nan 8.360 nan 0.000 0.500 74 Q N -0.228 119.499 119.800 -0.121 0.000 2.204 74 Q HA 0.033 4.373 4.340 -0.000 0.000 0.198 74 Q C -0.195 175.317 176.000 -0.814 0.000 0.946 74 Q CA 0.904 56.396 55.803 -0.519 0.000 0.859 74 Q CB 0.508 28.834 28.738 -0.687 0.000 0.946 74 Q HN 0.320 nan 8.270 nan 0.000 0.474 75 F N 0.556 120.556 119.950 0.083 0.000 2.824 75 F HA 0.375 4.901 4.527 -0.000 0.000 0.375 75 F C -2.302 173.564 175.800 0.110 0.000 1.190 75 F CA -2.903 55.129 58.000 0.054 0.000 1.180 75 F CB 1.339 40.362 39.000 0.038 0.000 1.477 75 F HN -0.181 nan 8.300 nan 0.000 0.542 76 P HA 0.241 nan 4.420 nan 0.000 0.267 76 P C 0.984 178.358 177.300 0.124 0.000 1.209 76 P CA 1.178 64.350 63.100 0.118 0.000 0.763 76 P CB 0.995 32.732 31.700 0.061 0.000 0.816 77 G N 3.546 112.403 108.800 0.096 0.000 2.383 77 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.229 77 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.229 77 G C 0.148 175.096 174.900 0.079 0.000 1.089 77 G CA -0.281 44.857 45.100 0.064 0.000 0.640 77 G HN 0.558 nan 8.290 nan 0.000 0.510 78 F N 4.055 123.992 119.950 -0.023 0.000 2.593 78 F HA 0.371 4.897 4.527 -0.000 0.000 0.393 78 F C 1.779 177.526 175.800 -0.088 0.000 1.037 78 F CA 0.477 58.425 58.000 -0.088 0.000 1.195 78 F CB 0.668 39.598 39.000 -0.116 0.000 1.034 78 F HN 0.462 nan 8.300 nan 0.000 0.552 79 S N 3.825 119.150 115.700 -0.626 0.000 2.368 79 S HA -0.138 4.331 4.470 -0.000 0.000 0.225 79 S C 2.283 176.349 174.600 -0.890 0.000 1.030 79 S CA 0.904 58.725 58.200 -0.631 0.000 0.999 79 S CB -1.421 61.517 63.200 -0.436 0.000 0.844 79 S HN 0.849 nan 8.310 nan 0.000 0.459 80 G N 1.505 109.306 108.800 -1.666 0.000 2.485 80 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.221 80 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.221 80 G C 1.652 176.464 174.900 -0.145 0.000 1.115 80 G CA 1.429 45.993 45.100 -0.893 0.000 0.751 80 G HN 0.807 nan 8.290 nan 0.000 0.567 81 S N -0.536 115.041 115.700 -0.205 0.000 2.599 81 S HA 0.143 4.613 4.470 -0.000 0.000 0.236 81 S C 1.810 176.506 174.600 0.160 0.000 1.077 81 S CA 0.835 59.301 58.200 0.444 0.000 0.906 81 S CB 0.142 63.876 63.200 0.890 0.000 0.804 81 S HN 0.261 nan 8.310 nan 0.000 0.497 82 E N 2.495 122.677 120.200 -0.030 0.000 2.268 82 E HA -0.036 4.314 4.350 -0.000 0.000 0.195 82 E C 2.030 178.529 176.600 -0.168 0.000 0.995 82 E CA 1.239 57.611 56.400 -0.047 0.000 0.836 82 E CB -0.557 29.104 29.700 -0.065 0.000 0.763 82 E HN 0.822 nan 8.360 nan 0.000 0.491 83 M N -1.926 117.436 119.600 -0.397 0.000 2.700 83 M HA -0.006 4.474 4.480 -0.000 0.000 0.249 83 M C 0.749 176.779 176.300 -0.449 0.000 1.082 83 M CA 1.042 56.018 55.300 -0.539 0.000 1.077 83 M CB -0.332 31.778 32.600 -0.816 0.000 1.477 83 M HN 0.083 nan 8.290 nan 0.000 0.529 84 W N 0.953 122.209 121.300 -0.074 0.000 3.177 84 W HA 0.268 4.928 4.660 -0.000 0.000 0.309 84 W C 0.444 176.897 176.519 -0.109 0.000 1.224 84 W CA -1.160 56.128 57.345 -0.096 0.000 1.718 84 W CB 0.167 29.601 29.460 -0.043 0.000 1.078 84 W HN 0.147 nan 8.180 nan 0.000 0.618 85 N N 0.972 119.729 118.700 0.095 0.000 2.458 85 N HA 0.265 5.005 4.740 -0.000 0.000 0.271 85 N C -2.460 173.021 175.510 -0.048 0.000 1.210 85 N CA -1.561 51.500 53.050 0.018 0.000 0.978 85 N CB 0.025 38.520 38.487 0.013 0.000 1.206 85 N HN -0.425 nan 8.380 nan 0.000 0.536 86 P HA 0.039 nan 4.420 nan 0.000 0.271 86 P C 0.278 177.525 177.300 -0.088 0.000 1.233 86 P CA 0.281 63.329 63.100 -0.087 0.000 0.795 86 P CB 0.457 32.116 31.700 -0.068 0.000 0.936 87 N N -0.979 117.659 118.700 -0.102 0.000 2.082 87 N HA 0.100 4.839 4.740 -0.000 0.000 0.228 87 N C -0.056 175.407 175.510 -0.079 0.000 1.341 87 N CA -0.007 52.982 53.050 -0.101 0.000 0.873 87 N CB 0.768 39.170 38.487 -0.141 0.000 1.137 87 N HN 0.186 nan 8.380 nan 0.000 0.505 88 R N 0.299 120.757 120.500 -0.070 0.000 2.869 88 R HA 0.537 4.877 4.340 -0.000 0.000 0.263 88 R C -0.259 176.015 176.300 -0.044 0.000 1.066 88 R CA -0.310 55.761 56.100 -0.048 0.000 0.960 88 R CB -0.215 30.061 30.300 -0.040 0.000 1.221 88 R HN 0.207 nan 8.270 nan 0.000 0.474 89 E N 1.314 121.492 120.200 -0.036 0.000 2.418 89 E HA 0.280 4.630 4.350 -0.000 0.000 0.261 89 E C 0.020 176.595 176.600 -0.042 0.000 1.070 89 E CA 0.283 56.662 56.400 -0.035 0.000 0.931 89 E CB 0.380 30.060 29.700 -0.034 0.000 0.954 89 E HN 0.371 nan 8.360 nan 0.000 0.439 90 M N 1.016 120.591 119.600 -0.041 0.000 2.528 90 M HA 0.601 5.081 4.480 -0.000 0.000 0.318 90 M C 0.438 176.700 176.300 -0.063 0.000 1.195 90 M CA -0.374 54.895 55.300 -0.052 0.000 1.000 90 M CB 1.979 34.552 32.600 -0.045 0.000 1.615 90 M HN 0.688 nan 8.290 nan 0.000 0.469 91 S N -0.278 115.369 115.700 -0.088 0.000 3.636 91 S HA 0.313 4.783 4.470 -0.000 0.000 0.304 91 S C -0.469 174.034 174.600 -0.161 0.000 1.165 91 S CA -0.445 57.693 58.200 -0.103 0.000 1.244 91 S CB 0.849 64.010 63.200 -0.065 0.000 1.621 91 S HN 0.806 nan 8.310 nan 0.000 0.537 92 E N -0.081 120.035 120.200 -0.140 0.000 2.535 92 E HA 0.168 4.518 4.350 -0.000 0.000 0.216 92 E C -0.935 175.602 176.600 -0.106 0.000 0.845 92 E CA -0.116 56.176 56.400 -0.180 0.000 1.306 92 E CB 0.468 30.042 29.700 -0.210 0.000 1.291 92 E HN 0.441 nan 8.360 nan 0.000 0.635 93 D N 1.685 122.058 120.400 -0.045 0.000 2.688 93 D HA -0.000 4.640 4.640 -0.000 0.000 0.228 93 D C -0.248 176.132 176.300 0.132 0.000 1.116 93 D CA -0.024 53.993 54.000 0.028 0.000 1.023 93 D CB -0.377 40.474 40.800 0.086 0.000 1.100 93 D HN 0.156 nan 8.370 nan 0.000 0.487 94 c N 2.007 120.634 118.600 0.046 0.000 2.534 94 c HA 0.543 5.113 4.570 -0.000 0.000 0.285 94 c C 0.181 174.325 174.090 0.090 0.000 1.505 94 c CA -0.922 55.472 56.329 0.108 0.000 1.715 94 c CB -1.485 41.040 42.510 0.025 0.000 2.935 94 c HN 0.343 nan 8.230 nan 0.000 0.540 95 L N 1.855 123.036 121.223 -0.070 0.000 2.488 95 L HA 0.454 4.794 4.340 -0.000 0.000 0.250 95 L C -1.368 175.137 176.870 -0.609 0.000 1.280 95 L CA -0.058 54.553 54.840 -0.381 0.000 0.929 95 L CB 0.151 41.655 42.059 -0.924 0.000 1.200 95 L HN 0.346 nan 8.230 nan 0.000 0.495 96 Y N 1.699 122.017 120.300 0.031 0.000 2.329 96 Y HA 0.500 5.049 4.550 -0.000 0.000 0.328 96 Y C -0.186 175.783 175.900 0.114 0.000 0.992 96 Y CA -1.388 56.722 58.100 0.017 0.000 1.151 96 Y CB 1.714 40.136 38.460 -0.063 0.000 1.150 96 Y HN 0.172 nan 8.280 nan 0.000 0.450 97 L N 1.601 122.926 121.223 0.171 0.000 2.399 97 L HA 0.609 4.948 4.340 -0.000 0.000 0.266 97 L C -0.296 176.550 176.870 -0.040 0.000 1.114 97 L CA -1.100 53.757 54.840 0.029 0.000 0.804 97 L CB 0.380 42.347 42.059 -0.153 0.000 1.146 97 L HN 0.433 nan 8.230 nan 0.000 0.451 98 N N 1.873 120.558 118.700 -0.025 0.000 2.404 98 N HA 0.740 5.480 4.740 -0.000 0.000 0.297 98 N C -0.941 174.453 175.510 -0.194 0.000 1.163 98 N CA -0.351 52.600 53.050 -0.165 0.000 0.864 98 N CB 2.524 40.843 38.487 -0.280 0.000 1.247 98 N HN 0.605 nan 8.380 nan 0.000 0.510 99 I N 0.265 120.666 120.570 -0.281 0.000 2.571 99 I HA 0.241 4.411 4.170 -0.000 0.000 0.286 99 I C -1.028 175.081 176.117 -0.013 0.000 1.134 99 I CA -0.599 60.625 61.300 -0.127 0.000 1.052 99 I CB 1.959 39.785 38.000 -0.291 0.000 1.237 99 I HN 0.232 nan 8.210 nan 0.000 0.435 100 W N 6.285 127.727 121.300 0.238 0.000 2.349 100 W HA 0.572 5.232 4.660 -0.000 0.000 0.309 100 W C -0.765 175.906 176.519 0.254 0.000 1.083 100 W CA -0.640 56.859 57.345 0.256 0.000 1.224 100 W CB 1.955 31.535 29.460 0.200 0.000 1.256 100 W HN 0.075 nan 8.180 nan 0.000 0.461 101 V N 5.470 125.683 119.914 0.498 0.000 2.448 101 V HA 0.272 4.392 4.120 -0.000 0.000 0.295 101 V C -2.006 174.287 176.094 0.331 0.000 1.025 101 V CA -2.475 60.061 62.300 0.393 0.000 0.859 101 V CB 1.907 33.997 31.823 0.445 0.000 0.988 101 V HN 0.245 nan 8.190 nan 0.000 0.431 102 P HA 0.065 nan 4.420 nan 0.000 0.267 102 P C -0.520 176.894 177.300 0.189 0.000 1.201 102 P CA 0.279 63.498 63.100 0.197 0.000 0.775 102 P CB 0.501 32.272 31.700 0.119 0.000 0.854 103 S N 2.121 117.926 115.700 0.175 0.000 2.659 103 S HA 0.494 4.964 4.470 -0.000 0.000 0.312 103 S C -2.623 172.046 174.600 0.115 0.000 1.114 103 S CA -1.950 56.343 58.200 0.154 0.000 1.063 103 S CB 0.349 63.653 63.200 0.174 0.000 0.996 103 S HN 0.209 nan 8.310 nan 0.000 0.478 104 P HA 0.118 nan 4.420 nan 0.000 0.271 104 P C -0.453 176.906 177.300 0.099 0.000 1.218 104 P CA -0.525 62.628 63.100 0.088 0.000 0.780 104 P CB 0.442 32.180 31.700 0.064 0.000 0.901 105 R N 3.347 123.917 120.500 0.117 0.000 2.537 105 R HA 0.084 4.424 4.340 -0.000 0.000 0.281 105 R C -2.131 174.226 176.300 0.096 0.000 0.988 105 R CA -0.860 55.319 56.100 0.131 0.000 1.077 105 R CB -0.396 29.991 30.300 0.146 0.000 0.932 105 R HN 0.364 nan 8.270 nan 0.000 0.409 106 P HA 0.129 nan 4.420 nan 0.000 0.277 106 P C -0.370 176.965 177.300 0.057 0.000 1.276 106 P CA -0.268 62.871 63.100 0.065 0.000 0.788 106 P CB 0.847 32.586 31.700 0.065 0.000 1.114 107 K N -0.820 119.601 120.400 0.035 0.000 2.344 107 K HA 0.170 4.490 4.320 -0.000 0.000 0.229 107 K C 0.664 177.267 176.600 0.006 0.000 1.112 107 K CA 0.388 56.688 56.287 0.022 0.000 0.850 107 K CB -0.437 32.071 32.500 0.013 0.000 1.311 107 K HN 0.178 nan 8.250 nan 0.000 0.448 108 S N 1.842 117.540 115.700 -0.004 0.000 2.891 108 S HA 0.185 4.654 4.470 -0.000 0.000 0.186 108 S C -0.896 173.695 174.600 -0.014 0.000 1.401 108 S CA -0.313 57.875 58.200 -0.019 0.000 1.035 108 S CB 0.087 63.270 63.200 -0.027 0.000 1.293 108 S HN 0.181 nan 8.310 nan 0.000 0.493 109 T N 2.290 116.842 114.554 -0.002 0.000 2.885 109 T HA 0.541 4.891 4.350 -0.000 0.000 0.285 109 T C 0.149 174.850 174.700 0.001 0.000 1.019 109 T CA -0.401 61.700 62.100 0.003 0.000 1.010 109 T CB 1.219 70.101 68.868 0.023 0.000 1.022 109 T HN 0.631 nan 8.240 nan 0.000 0.466 110 T N 1.492 116.042 114.554 -0.007 0.000 2.946 110 T HA 0.359 4.709 4.350 -0.000 0.000 0.312 110 T C 0.094 174.808 174.700 0.023 0.000 1.066 110 T CA -0.559 61.536 62.100 -0.010 0.000 1.138 110 T CB 0.041 68.890 68.868 -0.031 0.000 1.014 110 T HN 0.350 nan 8.240 nan 0.000 0.544 111 V N 4.259 124.191 119.914 0.031 0.000 2.581 111 V HA 0.515 4.635 4.120 -0.000 0.000 0.303 111 V C 0.176 176.334 176.094 0.107 0.000 1.041 111 V CA -0.967 61.377 62.300 0.073 0.000 0.907 111 V CB 1.619 33.478 31.823 0.060 0.000 0.994 111 V HN 0.956 nan 8.190 nan 0.000 0.442 112 M N 4.079 123.785 119.600 0.177 0.000 2.134 112 M HA 0.511 4.991 4.480 -0.000 0.000 0.310 112 M C -1.115 175.456 176.300 0.452 0.000 0.966 112 M CA -0.490 54.983 55.300 0.288 0.000 0.922 112 M CB 2.021 34.756 32.600 0.226 0.000 1.537 112 M HN 0.403 nan 8.290 nan 0.000 0.424 113 V N 3.375 123.547 119.914 0.431 0.000 2.427 113 V HA 0.353 4.473 4.120 -0.000 0.000 0.286 113 V C -0.784 175.453 176.094 0.237 0.000 1.034 113 V CA -0.551 61.926 62.300 0.296 0.000 0.893 113 V CB 1.488 33.375 31.823 0.108 0.000 0.982 113 V HN 0.840 nan 8.190 nan 0.000 0.452 114 W N 6.612 127.849 121.300 -0.106 0.000 2.433 114 W HA 0.683 5.343 4.660 -0.000 0.000 0.315 114 W C -1.450 174.899 176.519 -0.284 0.000 1.087 114 W CA -0.847 56.242 57.345 -0.427 0.000 1.205 114 W CB 1.407 30.746 29.460 -0.202 0.000 1.288 114 W HN 0.433 nan 8.180 nan 0.000 0.504 115 I N 8.166 127.986 120.570 -1.249 0.000 2.418 115 I HA 0.118 4.288 4.170 -0.000 0.000 0.287 115 I C -0.438 174.847 176.117 -1.385 0.000 1.008 115 I CA -1.175 59.512 61.300 -1.021 0.000 1.104 115 I CB 1.226 38.827 38.000 -0.665 0.000 1.264 115 I HN 0.291 nan 8.210 nan 0.000 0.438 116 Y N 4.426 124.236 120.300 -0.817 0.000 2.326 116 Y HA 0.769 5.319 4.550 -0.000 0.000 0.333 116 Y C 0.604 176.308 175.900 -0.327 0.000 1.240 116 Y CA -0.857 56.863 58.100 -0.633 0.000 1.365 116 Y CB 0.133 38.428 38.460 -0.275 0.000 1.289 116 Y HN 0.547 nan 8.280 nan 0.000 0.548 117 G N -0.614 108.169 108.800 -0.028 0.000 2.828 117 G HA2 0.535 4.495 3.960 -0.000 0.000 0.244 117 G HA3 0.535 4.495 3.960 -0.000 0.000 0.244 117 G C -0.046 174.789 174.900 -0.108 0.000 1.365 117 G CA -1.017 44.021 45.100 -0.103 0.000 1.041 117 G HN 1.679 nan 8.290 nan 0.000 0.560 118 G N -2.188 106.457 108.800 -0.258 0.000 2.587 118 G HA2 0.427 4.387 3.960 -0.000 0.000 0.216 118 G HA3 0.427 4.387 3.960 -0.000 0.000 0.216 118 G C 0.881 175.546 174.900 -0.392 0.000 1.124 118 G CA 0.487 45.380 45.100 -0.346 0.000 0.858 118 G HN 2.214 nan 8.290 nan 0.000 0.523 119 G N 0.292 108.781 108.800 -0.518 0.000 2.449 119 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.304 119 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.304 119 G C 0.942 175.412 174.900 -0.717 0.000 0.962 119 G CA 0.812 45.266 45.100 -1.076 0.000 0.943 119 G HN 1.911 nan 8.290 nan 0.000 0.514 120 F N -3.008 116.788 119.950 -0.256 0.000 3.106 120 F HA -0.345 4.182 4.527 -0.000 0.000 0.281 120 F C 1.534 177.316 175.800 -0.030 0.000 0.869 120 F CA 2.032 59.957 58.000 -0.125 0.000 1.014 120 F CB -2.092 36.719 39.000 -0.316 0.000 1.131 120 F HN 0.823 nan 8.300 nan 0.000 0.546 121 Y N -1.718 118.552 120.300 -0.049 0.000 2.664 121 Y HA 0.413 4.963 4.550 -0.000 0.000 0.278 121 Y C 1.307 177.292 175.900 0.142 0.000 1.130 121 Y CA 0.628 58.763 58.100 0.057 0.000 1.260 121 Y CB -0.337 38.139 38.460 0.026 0.000 1.369 121 Y HN 0.015 nan 8.280 nan 0.000 0.499 122 S N -0.076 115.039 115.700 -0.974 0.000 3.986 122 S HA 0.795 5.265 4.470 -0.000 0.000 0.228 122 S C 0.506 174.828 174.600 -0.463 0.000 1.044 122 S CA -0.398 57.351 58.200 -0.753 0.000 1.556 122 S CB 0.730 63.234 63.200 -1.159 0.000 1.056 122 S HN 1.369 nan 8.310 nan 0.000 0.715 123 G N -0.196 108.322 108.800 -0.470 0.000 3.039 123 G HA2 0.238 4.197 3.960 -0.000 0.000 0.686 123 G HA3 0.238 4.197 3.960 -0.000 0.000 0.686 123 G C -0.572 173.673 174.900 -1.091 0.000 1.066 123 G CA -0.245 44.531 45.100 -0.541 0.000 0.774 123 G HN 0.966 nan 8.290 nan 0.000 0.591 124 S N -0.056 115.091 115.700 -0.921 0.000 2.671 124 S HA 0.813 5.283 4.470 -0.000 0.000 0.299 124 S C 1.003 175.348 174.600 -0.425 0.000 1.116 124 S CA 0.219 57.968 58.200 -0.751 0.000 0.912 124 S CB 2.007 65.032 63.200 -0.293 0.000 1.130 124 S HN 1.616 nan 8.310 nan 0.000 0.501 125 S N 0.041 115.717 115.700 -0.040 0.000 2.526 125 S HA 0.027 4.497 4.470 -0.000 0.000 0.220 125 S C 1.405 176.178 174.600 0.287 0.000 1.017 125 S CA 0.720 59.134 58.200 0.356 0.000 0.930 125 S CB -0.182 63.275 63.200 0.427 0.000 0.856 125 S HN 0.831 nan 8.310 nan 0.000 0.497 126 T N 0.526 115.088 114.554 0.014 0.000 3.086 126 T HA 0.406 4.756 4.350 -0.000 0.000 0.250 126 T C 0.657 175.115 174.700 -0.404 0.000 1.074 126 T CA -0.370 61.508 62.100 -0.370 0.000 0.988 126 T CB -0.437 68.097 68.868 -0.557 0.000 0.988 126 T HN 0.257 nan 8.240 nan 0.000 0.530 127 L N 1.397 122.505 121.223 -0.191 0.000 2.479 127 L HA 0.232 4.572 4.340 -0.000 0.000 0.270 127 L C 1.243 177.940 176.870 -0.288 0.000 1.236 127 L CA -0.297 54.372 54.840 -0.286 0.000 0.823 127 L CB 0.215 42.031 42.059 -0.405 0.000 1.098 127 L HN 0.068 nan 8.230 nan 0.000 0.500 128 D N -0.346 119.877 120.400 -0.295 0.000 2.312 128 D HA -0.100 4.540 4.640 -0.000 0.000 0.211 128 D C 1.675 177.784 176.300 -0.318 0.000 0.964 128 D CA 0.692 54.556 54.000 -0.226 0.000 0.877 128 D CB 0.073 40.753 40.800 -0.199 0.000 0.924 128 D HN 0.447 nan 8.370 nan 0.000 0.515 129 V N -1.886 117.718 119.914 -0.518 0.000 3.623 129 V HA 0.044 4.164 4.120 -0.000 0.000 0.271 129 V C 0.434 176.029 176.094 -0.832 0.000 1.248 129 V CA 0.678 62.610 62.300 -0.614 0.000 1.156 129 V CB -0.833 30.618 31.823 -0.621 0.000 0.870 129 V HN 0.085 nan 8.190 nan 0.000 0.453 130 Y N -0.894 119.016 120.300 -0.648 0.000 2.499 130 Y HA 0.429 4.979 4.550 -0.000 0.000 0.253 130 Y C 1.104 176.665 175.900 -0.565 0.000 1.105 130 Y CA -1.712 55.725 58.100 -1.105 0.000 1.240 130 Y CB -0.570 37.636 38.460 -0.422 0.000 1.289 130 Y HN 0.229 nan 8.280 nan 0.000 0.534 131 N N 1.759 120.397 118.700 -0.103 0.000 2.301 131 N HA -0.054 4.685 4.740 -0.000 0.000 0.267 131 N C 1.193 176.571 175.510 -0.221 0.000 1.304 131 N CA 1.081 54.111 53.050 -0.033 0.000 0.851 131 N CB 1.118 39.686 38.487 0.135 0.000 1.070 131 N HN 0.531 nan 8.380 nan 0.000 0.483 132 G N 3.048 111.202 108.800 -1.077 0.000 3.189 132 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.225 132 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.225 132 G C 1.402 175.818 174.900 -0.806 0.000 1.159 132 G CA -0.033 44.685 45.100 -0.635 0.000 0.763 132 G HN 0.757 nan 8.290 nan 0.000 0.549 133 K N -0.301 119.337 120.400 -1.271 0.000 2.152 133 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 133 K C 1.606 177.927 176.600 -0.466 0.000 1.048 133 K CA 1.164 56.940 56.287 -0.851 0.000 0.933 133 K CB -0.494 31.531 32.500 -0.791 0.000 0.721 133 K HN 0.368 nan 8.250 nan 0.000 0.447 134 Y N 1.140 121.339 120.300 -0.169 0.000 2.153 134 Y HA -0.111 4.439 4.550 -0.000 0.000 0.289 134 Y C 2.409 178.316 175.900 0.011 0.000 1.127 134 Y CA 0.587 58.653 58.100 -0.057 0.000 1.131 134 Y CB -0.702 37.715 38.460 -0.070 0.000 0.995 134 Y HN -0.009 nan 8.280 nan 0.000 0.505 135 L N 0.598 121.901 121.223 0.134 0.000 2.017 135 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 135 L C 2.374 179.289 176.870 0.074 0.000 1.073 135 L CA 1.961 56.830 54.840 0.049 0.000 0.745 135 L CB -1.208 40.804 42.059 -0.079 0.000 0.894 135 L HN 0.180 nan 8.230 nan 0.000 0.432 136 A N -1.251 121.619 122.820 0.083 0.000 1.883 136 A HA -0.312 4.008 4.320 -0.000 0.000 0.217 136 A C 2.346 180.014 177.584 0.139 0.000 1.186 136 A CA 1.987 54.104 52.037 0.132 0.000 0.624 136 A CB -1.337 17.783 19.000 0.200 0.000 0.822 136 A HN 0.660 nan 8.150 nan 0.000 0.444 137 Y N 1.217 121.532 120.300 0.025 0.000 2.181 137 Y HA -0.168 4.382 4.550 -0.000 0.000 0.288 137 Y C 2.517 178.435 175.900 0.031 0.000 1.146 137 Y CA 2.332 60.448 58.100 0.027 0.000 1.164 137 Y CB -0.558 37.894 38.460 -0.014 0.000 0.982 137 Y HN 0.297 nan 8.280 nan 0.000 0.515 138 T N 0.036 114.690 114.554 0.166 0.000 2.904 138 T HA -0.072 4.277 4.350 -0.000 0.000 0.267 138 T C 1.212 175.914 174.700 0.004 0.000 1.059 138 T CA 1.444 63.590 62.100 0.076 0.000 1.137 138 T CB -0.036 68.917 68.868 0.141 0.000 0.879 138 T HN 0.288 nan 8.240 nan 0.000 0.467 139 E N 0.704 120.921 120.200 0.028 0.000 2.498 139 E HA 0.115 4.465 4.350 -0.000 0.000 0.203 139 E C 0.042 176.652 176.600 0.018 0.000 1.013 139 E CA 0.022 56.444 56.400 0.036 0.000 0.927 139 E CB 0.140 29.871 29.700 0.052 0.000 1.012 139 E HN 0.597 nan 8.360 nan 0.000 0.482 140 E N -0.010 120.187 120.200 -0.006 0.000 2.320 140 E HA -0.168 4.182 4.350 -0.000 0.000 0.234 140 E C -0.112 176.511 176.600 0.039 0.000 1.183 140 E CA 0.469 56.868 56.400 -0.001 0.000 0.713 140 E CB -2.096 27.590 29.700 -0.024 0.000 1.226 140 E HN 0.129 nan 8.360 nan 0.000 0.382 141 V N -4.134 115.823 119.914 0.070 0.000 3.074 141 V HA 0.684 4.804 4.120 -0.000 0.000 0.314 141 V C 0.435 176.611 176.094 0.137 0.000 1.117 141 V CA -1.251 61.100 62.300 0.086 0.000 1.014 141 V CB 2.228 34.095 31.823 0.074 0.000 1.057 141 V HN -0.030 nan 8.190 nan 0.000 0.438 142 V N 2.753 122.748 119.914 0.136 0.000 2.432 142 V HA 0.434 4.554 4.120 -0.000 0.000 0.271 142 V C -0.124 176.089 176.094 0.198 0.000 1.046 142 V CA -0.029 62.372 62.300 0.169 0.000 0.945 142 V CB 0.886 32.785 31.823 0.126 0.000 0.992 142 V HN 0.732 nan 8.190 nan 0.000 0.471 143 L N 6.704 128.099 121.223 0.286 0.000 2.334 143 L HA 0.800 5.140 4.340 -0.000 0.000 0.276 143 L C -0.440 176.656 176.870 0.376 0.000 1.014 143 L CA 0.115 55.172 54.840 0.361 0.000 0.815 143 L CB 1.988 44.317 42.059 0.450 0.000 1.268 143 L HN 0.457 nan 8.230 nan 0.000 0.428 144 V N 2.199 122.319 119.914 0.343 0.000 3.040 144 V HA 0.768 4.888 4.120 -0.000 0.000 0.312 144 V C -0.740 175.558 176.094 0.339 0.000 1.115 144 V CA -0.725 61.731 62.300 0.259 0.000 0.998 144 V CB 2.012 33.911 31.823 0.127 0.000 1.042 144 V HN 0.737 nan 8.190 nan 0.000 0.433 145 S N 2.303 118.172 115.700 0.283 0.000 2.619 145 S HA 0.761 5.231 4.470 -0.000 0.000 0.280 145 S C -1.114 173.588 174.600 0.170 0.000 1.150 145 S CA -0.572 57.824 58.200 0.327 0.000 0.978 145 S CB 1.077 64.596 63.200 0.531 0.000 1.041 145 S HN 0.813 nan 8.310 nan 0.000 0.485 146 L N 2.779 124.038 121.223 0.060 0.000 2.365 146 L HA 0.987 5.327 4.340 -0.000 0.000 0.267 146 L C -0.148 176.786 176.870 0.107 0.000 1.033 146 L CA -0.617 54.209 54.840 -0.024 0.000 0.802 146 L CB 1.187 43.121 42.059 -0.207 0.000 1.267 146 L HN 0.599 nan 8.230 nan 0.000 0.457 147 S N -0.095 115.732 115.700 0.212 0.000 2.647 147 S HA 0.751 5.221 4.470 -0.000 0.000 0.300 147 S C -1.012 173.809 174.600 0.368 0.000 1.129 147 S CA -0.645 57.773 58.200 0.363 0.000 1.029 147 S CB 0.535 63.981 63.200 0.410 0.000 1.007 147 S HN 0.822 nan 8.310 nan 0.000 0.484 148 Y N 0.264 120.666 120.300 0.169 0.000 2.509 148 Y HA 0.730 5.280 4.550 -0.000 0.000 0.341 148 Y C -0.019 175.999 175.900 0.195 0.000 1.038 148 Y CA -1.616 56.574 58.100 0.150 0.000 1.089 148 Y CB 0.857 39.346 38.460 0.049 0.000 1.241 148 Y HN 0.622 nan 8.280 nan 0.000 0.468 149 R N 1.907 122.520 120.500 0.189 0.000 2.489 149 R HA 0.438 4.778 4.340 -0.000 0.000 0.287 149 R C -0.248 176.170 176.300 0.197 0.000 1.053 149 R CA -0.225 55.940 56.100 0.107 0.000 1.036 149 R CB 0.591 30.916 30.300 0.041 0.000 0.966 149 R HN 0.741 nan 8.270 nan 0.000 0.432 150 V N 0.188 120.252 119.914 0.250 0.000 3.204 150 V HA 0.909 5.029 4.120 -0.000 0.000 0.316 150 V C 0.700 177.081 176.094 0.477 0.000 1.160 150 V CA -0.104 62.466 62.300 0.449 0.000 1.044 150 V CB 1.207 33.187 31.823 0.262 0.000 1.136 150 V HN 0.967 nan 8.190 nan 0.000 0.455 151 G N 0.087 109.193 108.800 0.511 0.000 2.697 151 G HA2 0.091 4.051 3.960 -0.000 0.000 0.240 151 G HA3 0.091 4.051 3.960 -0.000 0.000 0.240 151 G C 0.936 176.016 174.900 0.300 0.000 1.346 151 G CA 0.622 45.961 45.100 0.399 0.000 0.887 151 G HN 2.254 nan 8.290 nan 0.000 0.569 152 A N -1.283 121.551 122.820 0.022 0.000 2.032 152 A HA 0.122 4.441 4.320 -0.000 0.000 0.221 152 A C 2.191 179.662 177.584 -0.188 0.000 1.165 152 A CA 2.717 54.495 52.037 -0.431 0.000 0.645 152 A CB -0.512 18.125 19.000 -0.606 0.000 0.807 152 A HN 0.991 nan 8.150 nan 0.000 0.453 153 F N -0.200 119.852 119.950 0.171 0.000 2.146 153 F HA 0.050 4.577 4.527 -0.000 0.000 0.298 153 F C 2.480 178.292 175.800 0.019 0.000 1.096 153 F CA 1.150 59.181 58.000 0.051 0.000 1.275 153 F CB -0.874 38.099 39.000 -0.045 0.000 1.008 153 F HN 0.263 nan 8.300 nan 0.000 0.480 154 G N -2.505 106.383 108.800 0.148 0.000 3.126 154 G HA2 0.107 4.067 3.960 -0.000 0.000 0.224 154 G HA3 0.107 4.067 3.960 -0.000 0.000 0.224 154 G C 0.331 174.777 174.900 -0.756 0.000 1.142 154 G CA 0.087 45.042 45.100 -0.242 0.000 0.759 154 G HN 0.309 nan 8.290 nan 0.000 0.550 155 F N -0.476 119.533 119.950 0.099 0.000 2.856 155 F HA 0.371 4.898 4.527 -0.000 0.000 0.333 155 F C 0.163 175.903 175.800 -0.100 0.000 1.200 155 F CA -1.158 56.856 58.000 0.023 0.000 1.128 155 F CB 0.327 39.369 39.000 0.070 0.000 1.172 155 F HN -0.079 nan 8.300 nan 0.000 0.511 156 L N 2.284 123.422 121.223 -0.143 0.000 2.514 156 L HA 0.519 4.859 4.340 -0.000 0.000 0.280 156 L C 0.130 176.890 176.870 -0.183 0.000 1.223 156 L CA 0.169 54.743 54.840 -0.442 0.000 0.864 156 L CB 0.422 42.017 42.059 -0.772 0.000 1.118 156 L HN 0.200 nan 8.230 nan 0.000 0.494 157 A N 6.983 129.731 122.820 -0.121 0.000 2.357 157 A HA 0.728 5.048 4.320 -0.000 0.000 0.295 157 A C -1.270 176.306 177.584 -0.014 0.000 1.121 157 A CA -0.486 51.539 52.037 -0.019 0.000 0.742 157 A CB 0.690 19.722 19.000 0.053 0.000 1.181 157 A HN 0.664 nan 8.150 nan 0.000 0.454 158 L N 3.182 124.404 121.223 -0.001 0.000 2.491 158 L HA 0.285 4.625 4.340 -0.000 0.000 0.267 158 L C -0.823 176.101 176.870 0.090 0.000 0.971 158 L CA -0.784 54.070 54.840 0.022 0.000 0.857 158 L CB 1.895 43.937 42.059 -0.030 0.000 1.226 158 L HN 0.890 nan 8.230 nan 0.000 0.408 159 H N 2.807 121.875 119.070 -0.005 0.000 2.878 159 H HA 0.455 5.011 4.556 -0.000 0.000 0.290 159 H C 0.854 176.184 175.328 0.003 0.000 1.065 159 H CA 0.722 56.774 56.048 0.006 0.000 1.477 159 H CB 0.892 30.661 29.762 0.012 0.000 1.484 159 H HN 0.777 nan 8.280 nan 0.000 0.504 160 G N 3.195 111.887 108.800 -0.180 0.000 2.143 160 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.175 160 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.175 160 G C -0.090 174.765 174.900 -0.076 0.000 1.004 160 G CA 0.085 45.060 45.100 -0.208 0.000 0.671 160 G HN 0.860 nan 8.290 nan 0.000 0.512 161 S N -0.859 114.827 115.700 -0.023 0.000 2.526 161 S HA 0.670 5.140 4.470 -0.000 0.000 0.293 161 S C 0.664 175.273 174.600 0.015 0.000 1.092 161 S CA -0.049 58.147 58.200 -0.006 0.000 0.980 161 S CB 1.973 65.168 63.200 -0.007 0.000 1.048 161 S HN 0.129 nan 8.310 nan 0.000 0.483 162 Q N 1.734 121.543 119.800 0.015 0.000 2.349 162 Q HA 0.146 4.486 4.340 -0.000 0.000 0.209 162 Q C 1.199 177.224 176.000 0.041 0.000 0.920 162 Q CA 0.857 56.677 55.803 0.028 0.000 0.901 162 Q CB -0.032 28.719 28.738 0.021 0.000 1.021 162 Q HN 0.808 nan 8.270 nan 0.000 0.519 163 E N 0.442 120.667 120.200 0.042 0.000 2.209 163 E HA -0.102 4.248 4.350 -0.000 0.000 0.196 163 E C -0.028 176.628 176.600 0.094 0.000 0.993 163 E CA 1.022 57.465 56.400 0.071 0.000 0.819 163 E CB 0.179 29.923 29.700 0.072 0.000 0.745 163 E HN 0.232 nan 8.360 nan 0.000 0.477 164 A N 0.712 123.560 122.820 0.046 0.000 3.158 164 A HA 0.256 4.576 4.320 -0.000 0.000 0.302 164 A C -2.062 175.530 177.584 0.013 0.000 1.162 164 A CA -0.863 51.188 52.037 0.023 0.000 0.824 164 A CB 0.834 19.765 19.000 -0.115 0.000 1.322 164 A HN -0.129 nan 8.150 nan 0.000 0.510 165 P HA 0.137 nan 4.420 nan 0.000 0.222 165 P C 0.912 178.251 177.300 0.065 0.000 1.153 165 P CA 1.888 65.027 63.100 0.065 0.000 0.798 165 P CB 0.292 32.036 31.700 0.072 0.000 0.796 166 G N 0.207 109.030 108.800 0.038 0.000 2.612 166 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.686 166 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.686 166 G C -0.134 174.771 174.900 0.009 0.000 1.274 166 G CA -0.255 44.866 45.100 0.034 0.000 0.849 166 G HN 0.109 nan 8.290 nan 0.000 0.595 167 N N -2.218 116.490 118.700 0.013 0.000 2.765 167 N HA -0.305 4.435 4.740 -0.000 0.000 0.248 167 N C 2.038 177.442 175.510 -0.178 0.000 1.063 167 N CA 2.442 55.430 53.050 -0.104 0.000 0.862 167 N CB -1.565 36.726 38.487 -0.327 0.000 1.145 167 N HN 1.842 nan 8.380 nan 0.000 0.581 168 V N -2.679 117.129 119.914 -0.176 0.000 2.568 168 V HA -0.074 4.045 4.120 -0.000 0.000 0.253 168 V C 2.394 178.352 176.094 -0.226 0.000 1.072 168 V CA 2.340 64.555 62.300 -0.141 0.000 1.084 168 V CB -1.063 30.707 31.823 -0.088 0.000 0.676 168 V HN 0.286 nan 8.190 nan 0.000 0.469 169 G N 0.532 108.972 108.800 -0.601 0.000 2.418 169 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.217 169 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.217 169 G C 1.553 176.397 174.900 -0.094 0.000 1.158 169 G CA 1.145 45.958 45.100 -0.480 0.000 0.771 169 G HN 0.537 nan 8.290 nan 0.000 0.545 170 L N -0.069 121.091 121.223 -0.105 0.000 2.156 170 L HA 0.140 4.480 4.340 -0.000 0.000 0.208 170 L C 2.567 179.487 176.870 0.082 0.000 1.095 170 L CA 0.222 55.004 54.840 -0.097 0.000 0.770 170 L CB -0.244 41.570 42.059 -0.408 0.000 0.914 170 L HN 0.143 nan 8.230 nan 0.000 0.439 171 L N -0.250 121.016 121.223 0.073 0.000 2.633 171 L HA -0.139 4.201 4.340 -0.000 0.000 0.235 171 L C 1.519 178.478 176.870 0.147 0.000 1.163 171 L CA 0.439 55.388 54.840 0.181 0.000 0.859 171 L CB -0.359 41.785 42.059 0.140 0.000 0.973 171 L HN 0.331 nan 8.230 nan 0.000 0.451 172 D N -0.887 119.594 120.400 0.135 0.000 2.369 172 D HA -0.086 4.554 4.640 -0.000 0.000 0.231 172 D C 2.067 178.438 176.300 0.118 0.000 0.967 172 D CA 0.563 54.697 54.000 0.224 0.000 0.905 172 D CB -0.003 40.969 40.800 0.286 0.000 1.044 172 D HN 0.300 nan 8.370 nan 0.000 0.487 173 Q N 0.825 120.654 119.800 0.048 0.000 2.077 173 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 173 Q C 2.225 178.138 176.000 -0.145 0.000 0.989 173 Q CA 1.225 56.980 55.803 -0.080 0.000 0.853 173 Q CB -0.138 28.601 28.738 0.001 0.000 0.907 173 Q HN 0.150 nan 8.270 nan 0.000 0.418 174 R N 0.386 120.863 120.500 -0.039 0.000 2.159 174 R HA -0.140 4.200 4.340 -0.000 0.000 0.237 174 R C 2.056 178.330 176.300 -0.044 0.000 1.131 174 R CA 1.384 57.434 56.100 -0.083 0.000 0.982 174 R CB -0.070 30.272 30.300 0.069 0.000 0.868 174 R HN 0.282 nan 8.270 nan 0.000 0.453 175 M N -0.755 118.846 119.600 0.002 0.000 2.388 175 M HA 0.080 4.560 4.480 -0.000 0.000 0.265 175 M C 1.933 178.212 176.300 -0.035 0.000 1.088 175 M CA 1.220 56.561 55.300 0.069 0.000 1.134 175 M CB 0.281 33.011 32.600 0.217 0.000 1.384 175 M HN 0.247 nan 8.290 nan 0.000 0.447 176 A N 0.362 122.948 122.820 -0.390 0.000 1.930 176 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 176 A C 1.938 179.416 177.584 -0.177 0.000 1.175 176 A CA 1.153 52.795 52.037 -0.658 0.000 0.627 176 A CB -0.779 17.647 19.000 -0.956 0.000 0.815 176 A HN 0.541 nan 8.150 nan 0.000 0.443 177 L N -1.284 119.854 121.223 -0.143 0.000 2.109 177 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 177 L C 2.783 179.681 176.870 0.046 0.000 1.086 177 L CA 1.471 56.275 54.840 -0.060 0.000 0.760 177 L CB -0.417 41.554 42.059 -0.147 0.000 0.910 177 L HN 0.439 nan 8.230 nan 0.000 0.437 178 Q N -0.286 119.545 119.800 0.052 0.000 2.119 178 Q HA -0.238 4.102 4.340 -0.000 0.000 0.201 178 Q C 1.973 178.053 176.000 0.133 0.000 0.972 178 Q CA 1.716 57.566 55.803 0.077 0.000 0.847 178 Q CB -0.393 28.372 28.738 0.045 0.000 0.903 178 Q HN 0.441 nan 8.270 nan 0.000 0.433 179 W N -0.602 120.698 121.300 -0.002 0.000 2.338 179 W HA -0.174 4.486 4.660 -0.000 0.000 0.304 179 W C 1.784 178.319 176.519 0.027 0.000 1.212 179 W CA 1.740 59.102 57.345 0.028 0.000 1.264 179 W CB -0.190 29.278 29.460 0.012 0.000 1.142 179 W HN 0.012 nan 8.180 nan 0.000 0.512 180 V N -0.230 119.803 119.914 0.199 0.000 2.343 180 V HA -0.367 3.753 4.120 -0.000 0.000 0.247 180 V C 2.513 178.590 176.094 -0.028 0.000 1.051 180 V CA 2.302 64.645 62.300 0.071 0.000 1.036 180 V CB -1.311 30.558 31.823 0.077 0.000 0.654 180 V HN 0.297 nan 8.190 nan 0.000 0.451 181 H N 0.723 119.750 119.070 -0.071 0.000 2.319 181 H HA -0.174 4.382 4.556 -0.000 0.000 0.299 181 H C 2.109 177.340 175.328 -0.162 0.000 1.092 181 H CA 2.473 58.466 56.048 -0.092 0.000 1.302 181 H CB -0.162 29.567 29.762 -0.056 0.000 1.373 181 H HN 0.495 nan 8.280 nan 0.000 0.497 182 D N -0.613 119.801 120.400 0.023 0.000 2.091 182 D HA -0.081 4.559 4.640 -0.000 0.000 0.199 182 D C 1.764 177.900 176.300 -0.273 0.000 0.980 182 D CA 1.444 55.380 54.000 -0.107 0.000 0.831 182 D CB -0.131 40.574 40.800 -0.159 0.000 0.987 182 D HN 0.552 nan 8.370 nan 0.000 0.460 183 N N -0.494 117.946 118.700 -0.434 0.000 2.322 183 N HA 0.073 4.812 4.740 -0.000 0.000 0.181 183 N C 1.167 176.592 175.510 -0.142 0.000 1.088 183 N CA -0.177 52.659 53.050 -0.356 0.000 0.885 183 N CB 0.653 38.706 38.487 -0.725 0.000 1.013 183 N HN -0.027 nan 8.380 nan 0.000 0.472 184 I N 2.796 123.267 120.570 -0.165 0.000 2.700 184 I HA -0.241 3.929 4.170 -0.000 0.000 0.261 184 I C 2.313 178.420 176.117 -0.017 0.000 1.219 184 I CA 1.252 62.566 61.300 0.023 0.000 1.463 184 I CB -0.247 37.720 38.000 -0.055 0.000 1.092 184 I HN 0.199 nan 8.210 nan 0.000 0.452 185 Q N -1.414 118.191 119.800 -0.325 0.000 2.500 185 Q HA -0.141 4.198 4.340 -0.000 0.000 0.213 185 Q C 1.293 177.062 176.000 -0.385 0.000 0.974 185 Q CA 1.224 56.787 55.803 -0.399 0.000 0.918 185 Q CB -0.420 27.986 28.738 -0.554 0.000 0.980 185 Q HN 0.409 nan 8.270 nan 0.000 0.505 186 F N -0.958 118.955 119.950 -0.062 0.000 2.656 186 F HA 0.246 4.773 4.527 -0.000 0.000 0.291 186 F C 0.854 176.456 175.800 -0.331 0.000 1.122 186 F CA -0.428 57.426 58.000 -0.243 0.000 1.427 186 F CB 0.124 38.870 39.000 -0.424 0.000 1.125 186 F HN -0.021 nan 8.300 nan 0.000 0.583 187 F N -0.108 119.861 119.950 0.032 0.000 2.765 187 F HA 0.412 4.939 4.527 -0.000 0.000 0.302 187 F C 1.851 177.657 175.800 0.009 0.000 1.111 187 F CA 0.401 58.385 58.000 -0.027 0.000 1.359 187 F CB -0.381 38.535 39.000 -0.140 0.000 1.097 187 F HN 0.079 nan 8.300 nan 0.000 0.577 188 G N 0.153 109.036 108.800 0.138 0.000 2.157 188 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.239 188 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.239 188 G C 0.518 175.459 174.900 0.067 0.000 0.982 188 G CA -0.276 44.876 45.100 0.087 0.000 0.650 188 G HN 0.732 nan 8.290 nan 0.000 0.527 189 G N -0.292 108.549 108.800 0.069 0.000 2.348 189 G HA2 0.496 4.455 3.960 -0.000 0.000 0.312 189 G HA3 0.496 4.455 3.960 -0.000 0.000 0.312 189 G C -0.647 174.235 174.900 -0.030 0.000 1.126 189 G CA 0.052 45.171 45.100 0.031 0.000 0.865 189 G HN 0.180 nan 8.290 nan 0.000 0.474 190 D N 3.400 123.777 120.400 -0.038 0.000 2.336 190 D HA 0.141 4.781 4.640 -0.000 0.000 0.249 190 D C -1.056 175.183 176.300 -0.101 0.000 1.213 190 D CA -1.853 52.103 54.000 -0.075 0.000 0.870 190 D CB 2.115 42.879 40.800 -0.060 0.000 1.076 190 D HN 0.098 nan 8.370 nan 0.000 0.483 191 P HA -0.154 nan 4.420 nan 0.000 0.217 191 P C 1.065 178.240 177.300 -0.209 0.000 1.150 191 P CA 0.943 63.903 63.100 -0.233 0.000 0.832 191 P CB 0.561 32.013 31.700 -0.413 0.000 0.787 192 K N -0.131 120.160 120.400 -0.181 0.000 2.103 192 K HA -0.050 4.270 4.320 -0.000 0.000 0.207 192 K C 0.629 177.175 176.600 -0.090 0.000 1.048 192 K CA 1.443 57.650 56.287 -0.133 0.000 0.930 192 K CB -0.539 31.895 32.500 -0.110 0.000 0.716 192 K HN 0.278 nan 8.250 nan 0.000 0.444 193 T N 0.216 114.724 114.554 -0.078 0.000 3.262 193 T HA 0.394 4.744 4.350 -0.000 0.000 0.374 193 T C -0.599 174.083 174.700 -0.030 0.000 1.504 193 T CA -0.630 61.433 62.100 -0.062 0.000 1.158 193 T CB 0.829 69.654 68.868 -0.071 0.000 1.157 193 T HN -0.169 nan 8.240 nan 0.000 0.644 194 V N 2.459 122.379 119.914 0.010 0.000 2.709 194 V HA 0.653 4.773 4.120 -0.000 0.000 0.308 194 V C -0.710 175.461 176.094 0.129 0.000 1.062 194 V CA -0.300 62.039 62.300 0.064 0.000 0.901 194 V CB 2.452 34.321 31.823 0.077 0.000 1.003 194 V HN 0.845 nan 8.190 nan 0.000 0.425 195 T N 7.658 122.285 114.554 0.122 0.000 2.779 195 T HA 0.560 4.909 4.350 -0.000 0.000 0.280 195 T C -0.287 174.546 174.700 0.221 0.000 0.987 195 T CA -0.126 62.071 62.100 0.162 0.000 0.966 195 T CB 0.799 69.707 68.868 0.067 0.000 0.933 195 T HN 0.710 nan 8.240 nan 0.000 0.442 196 I N 2.024 122.688 120.570 0.156 0.000 2.336 196 I HA 0.835 5.005 4.170 -0.000 0.000 0.292 196 I C -0.864 175.388 176.117 0.225 0.000 0.991 196 I CA -0.954 60.409 61.300 0.104 0.000 1.227 196 I CB 0.674 38.517 38.000 -0.262 0.000 1.366 196 I HN 0.443 nan 8.210 nan 0.000 0.466 197 F N 3.603 123.541 119.950 -0.020 0.000 2.629 197 F HA 1.053 5.580 4.527 -0.000 0.000 0.316 197 F C -0.153 175.565 175.800 -0.136 0.000 1.081 197 F CA -1.352 56.645 58.000 -0.006 0.000 0.954 197 F CB 1.268 40.332 39.000 0.107 0.000 1.337 197 F HN 0.808 nan 8.300 nan 0.000 0.474 198 G N 0.077 108.752 108.800 -0.208 0.000 2.550 198 G HA2 0.486 4.446 3.960 -0.000 0.000 0.293 198 G HA3 0.486 4.446 3.960 -0.000 0.000 0.293 198 G C -2.418 172.329 174.900 -0.255 0.000 1.402 198 G CA -0.763 43.902 45.100 -0.725 0.000 0.784 198 G HN 0.773 nan 8.290 nan 0.000 0.482 199 E N 0.031 120.058 120.200 -0.289 0.000 2.222 199 E HA 0.623 4.973 4.350 -0.000 0.000 0.267 199 E C 0.668 177.253 176.600 -0.025 0.000 0.884 199 E CA 0.234 56.646 56.400 0.019 0.000 0.764 199 E CB 2.032 31.873 29.700 0.235 0.000 1.169 199 E HN 0.742 nan 8.360 nan 0.000 0.413 200 S N 2.915 118.663 115.700 0.080 0.000 4.157 200 S HA -0.398 4.072 4.470 -0.000 0.000 0.542 200 S C 1.405 176.026 174.600 0.035 0.000 1.864 200 S CA 2.160 60.462 58.200 0.171 0.000 4.245 200 S CB -1.498 61.785 63.200 0.138 0.000 0.266 200 S HN 0.840 nan 8.310 nan 0.000 0.457 201 A N 1.009 123.690 122.820 -0.231 0.000 2.172 201 A HA 0.355 4.675 4.320 -0.000 0.000 0.216 201 A C 2.044 179.274 177.584 -0.591 0.000 1.154 201 A CA 1.857 53.410 52.037 -0.807 0.000 0.701 201 A CB -0.979 17.278 19.000 -1.237 0.000 0.789 201 A HN 1.302 nan 8.150 nan 0.000 0.465 202 G N -1.271 107.306 108.800 -0.371 0.000 2.719 202 G HA2 0.259 4.219 3.960 -0.000 0.000 0.211 202 G HA3 0.259 4.219 3.960 -0.000 0.000 0.211 202 G C 1.265 175.983 174.900 -0.303 0.000 1.140 202 G CA 0.907 45.761 45.100 -0.411 0.000 0.790 202 G HN 0.559 nan 8.290 nan 0.000 0.529 203 G N 0.828 109.510 108.800 -0.196 0.000 2.494 203 G HA2 0.236 4.196 3.960 -0.000 0.000 0.216 203 G HA3 0.236 4.196 3.960 -0.000 0.000 0.216 203 G C 1.836 176.631 174.900 -0.175 0.000 1.140 203 G CA 1.262 46.280 45.100 -0.136 0.000 0.801 203 G HN 0.483 nan 8.290 nan 0.000 0.536 204 A N 1.002 123.726 122.820 -0.160 0.000 1.897 204 A HA 0.107 4.427 4.320 -0.000 0.000 0.215 204 A C 2.658 180.166 177.584 -0.127 0.000 1.181 204 A CA 1.999 53.942 52.037 -0.156 0.000 0.620 204 A CB -0.509 18.470 19.000 -0.035 0.000 0.821 204 A HN 0.262 nan 8.150 nan 0.000 0.443 205 S N -0.046 115.577 115.700 -0.128 0.000 2.353 205 S HA -0.170 4.300 4.470 -0.000 0.000 0.222 205 S C 1.931 176.427 174.600 -0.174 0.000 1.035 205 S CA 1.566 59.652 58.200 -0.190 0.000 1.025 205 S CB -0.708 62.337 63.200 -0.258 0.000 0.902 205 S HN 0.340 nan 8.310 nan 0.000 0.440 206 V N 1.889 121.717 119.914 -0.144 0.000 2.231 206 V HA -0.250 3.870 4.120 -0.000 0.000 0.250 206 V C 2.679 178.743 176.094 -0.052 0.000 1.058 206 V CA 2.172 64.404 62.300 -0.113 0.000 1.022 206 V CB -1.657 30.098 31.823 -0.113 0.000 0.640 206 V HN 0.615 nan 8.190 nan 0.000 0.445 207 G N -0.961 107.764 108.800 -0.125 0.000 2.440 207 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 207 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 207 G C 1.602 176.519 174.900 0.029 0.000 1.154 207 G CA 1.254 46.278 45.100 -0.128 0.000 0.767 207 G HN 0.475 nan 8.290 nan 0.000 0.552 208 M N -0.141 119.456 119.600 -0.006 0.000 2.213 208 M HA -0.005 4.475 4.480 -0.000 0.000 0.263 208 M C 1.940 178.345 176.300 0.176 0.000 1.062 208 M CA 0.870 56.262 55.300 0.152 0.000 1.105 208 M CB -0.184 32.463 32.600 0.078 0.000 1.385 208 M HN 0.154 nan 8.290 nan 0.000 0.417 209 H N -0.592 118.583 119.070 0.175 0.000 2.547 209 H HA 0.190 4.746 4.556 -0.000 0.000 0.266 209 H C 1.722 177.282 175.328 0.386 0.000 0.988 209 H CA 0.818 56.983 56.048 0.196 0.000 1.147 209 H CB 0.155 29.885 29.762 -0.053 0.000 1.365 209 H HN 0.445 nan 8.280 nan 0.000 0.589 210 I N -0.430 120.414 120.570 0.457 0.000 3.339 210 I HA -0.064 4.106 4.170 -0.000 0.000 0.285 210 I C 1.514 177.890 176.117 0.431 0.000 1.201 210 I CA 0.429 62.026 61.300 0.495 0.000 1.434 210 I CB 0.453 38.700 38.000 0.411 0.000 1.152 210 I HN 0.077 nan 8.210 nan 0.000 0.443 211 L N -0.169 121.292 121.223 0.396 0.000 2.607 211 L HA 0.154 4.493 4.340 -0.000 0.000 0.228 211 L C 0.828 177.899 176.870 0.335 0.000 1.123 211 L CA 0.087 55.170 54.840 0.405 0.000 0.890 211 L CB 0.291 42.597 42.059 0.412 0.000 1.103 211 L HN 0.037 nan 8.230 nan 0.000 0.468 212 S N -0.625 115.233 115.700 0.263 0.000 2.451 212 S HA 0.355 4.825 4.470 -0.000 0.000 0.301 212 S C -1.822 172.781 174.600 0.005 0.000 1.116 212 S CA -1.559 56.678 58.200 0.062 0.000 1.093 212 S CB 1.549 64.735 63.200 -0.023 0.000 1.017 212 S HN -0.153 nan 8.310 nan 0.000 0.482 213 P HA 0.020 nan 4.420 nan 0.000 0.215 213 P C 1.367 178.605 177.300 -0.103 0.000 1.157 213 P CA 1.076 64.129 63.100 -0.078 0.000 0.863 213 P CB -0.056 31.585 31.700 -0.098 0.000 0.787 214 G N -1.462 107.213 108.800 -0.209 0.000 2.776 214 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.209 214 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.209 214 G C 1.120 175.961 174.900 -0.097 0.000 1.145 214 G CA 0.469 45.458 45.100 -0.186 0.000 0.791 214 G HN 0.222 nan 8.290 nan 0.000 0.530 215 S N -0.727 114.967 115.700 -0.009 0.000 2.549 215 S HA 0.154 4.624 4.470 -0.000 0.000 0.225 215 S C 2.036 176.793 174.600 0.262 0.000 1.039 215 S CA -0.558 57.727 58.200 0.140 0.000 0.942 215 S CB 0.318 63.717 63.200 0.331 0.000 0.881 215 S HN 0.319 nan 8.310 nan 0.000 0.503 216 R N 2.091 122.682 120.500 0.153 0.000 2.119 216 R HA -0.112 4.228 4.340 -0.000 0.000 0.246 216 R C 0.400 176.648 176.300 -0.087 0.000 1.146 216 R CA 1.636 57.770 56.100 0.057 0.000 0.962 216 R CB -0.293 30.018 30.300 0.017 0.000 0.863 216 R HN 0.353 nan 8.270 nan 0.000 0.442 217 D N -0.040 120.347 120.400 -0.021 0.000 2.388 217 D HA 0.060 4.700 4.640 -0.000 0.000 0.221 217 D C 0.945 177.283 176.300 0.062 0.000 1.133 217 D CA 0.250 54.231 54.000 -0.031 0.000 0.831 217 D CB 0.442 41.234 40.800 -0.014 0.000 0.962 217 D HN 0.226 nan 8.370 nan 0.000 0.502 218 L N 0.155 121.473 121.223 0.159 0.000 2.607 218 L HA 0.164 4.504 4.340 -0.000 0.000 0.228 218 L C -0.210 176.872 176.870 0.354 0.000 1.123 218 L CA 0.037 55.031 54.840 0.257 0.000 0.890 218 L CB -0.089 42.083 42.059 0.188 0.000 1.103 218 L HN -0.052 nan 8.230 nan 0.000 0.468 219 F N -4.379 115.582 119.950 0.018 0.000 2.678 219 F HA 0.528 5.055 4.527 -0.000 0.000 0.308 219 F C 0.217 176.023 175.800 0.010 0.000 1.118 219 F CA -1.459 56.545 58.000 0.006 0.000 0.959 219 F CB 1.111 40.119 39.000 0.012 0.000 1.305 219 F HN -0.370 nan 8.300 nan 0.000 0.443 220 R N 1.291 121.800 120.500 0.015 0.000 2.055 220 R HA 0.441 4.781 4.340 -0.000 0.000 0.221 220 R C 0.217 176.483 176.300 -0.056 0.000 1.154 220 R CA 1.231 57.277 56.100 -0.091 0.000 0.975 220 R CB 0.144 30.404 30.300 -0.067 0.000 0.869 220 R HN 0.819 nan 8.270 nan 0.000 0.437 221 R N -1.407 119.148 120.500 0.092 0.000 2.943 221 R HA 0.769 5.109 4.340 -0.000 0.000 0.246 221 R C -1.410 175.128 176.300 0.396 0.000 1.201 221 R CA -0.657 55.528 56.100 0.143 0.000 1.056 221 R CB 2.100 32.327 30.300 -0.121 0.000 1.243 221 R HN 0.246 nan 8.270 nan 0.000 0.498 222 A N 1.202 124.251 122.820 0.382 0.000 2.488 222 A HA 0.553 4.873 4.320 -0.000 0.000 0.295 222 A C -1.210 176.463 177.584 0.150 0.000 1.045 222 A CA -0.576 51.635 52.037 0.289 0.000 0.703 222 A CB 1.012 20.203 19.000 0.318 0.000 1.271 222 A HN 0.542 nan 8.150 nan 0.000 0.400 223 I N 2.037 122.633 120.570 0.042 0.000 2.530 223 I HA 0.588 4.758 4.170 -0.000 0.000 0.297 223 I C -1.129 174.974 176.117 -0.024 0.000 1.011 223 I CA -0.815 60.383 61.300 -0.168 0.000 1.107 223 I CB 1.935 39.675 38.000 -0.434 0.000 1.285 223 I HN 0.525 nan 8.210 nan 0.000 0.436 224 L N 5.460 126.649 121.223 -0.057 0.000 2.388 224 L HA 0.559 4.899 4.340 -0.000 0.000 0.264 224 L C -0.829 176.114 176.870 0.121 0.000 0.998 224 L CA -0.390 54.460 54.840 0.017 0.000 0.817 224 L CB 2.009 44.032 42.059 -0.059 0.000 1.338 224 L HN 0.487 nan 8.230 nan 0.000 0.414 225 Q N 0.519 120.424 119.800 0.175 0.000 2.263 225 Q HA 0.444 4.783 4.340 -0.000 0.000 0.266 225 Q C -0.442 175.655 176.000 0.162 0.000 1.002 225 Q CA -0.624 55.350 55.803 0.286 0.000 0.790 225 Q CB 2.056 31.063 28.738 0.449 0.000 1.272 225 Q HN 0.651 nan 8.270 nan 0.000 0.435 226 S N 0.600 116.367 115.700 0.112 0.000 3.521 226 S HA -0.199 4.271 4.470 -0.000 0.000 0.362 226 S C 0.021 174.673 174.600 0.086 0.000 1.044 226 S CA 0.840 59.061 58.200 0.036 0.000 1.091 226 S CB -0.959 62.172 63.200 -0.115 0.000 0.908 226 S HN 0.905 nan 8.310 nan 0.000 0.473 227 G N -0.507 108.331 108.800 0.064 0.000 2.646 227 G HA2 0.689 4.648 3.960 -0.000 0.000 0.291 227 G HA3 0.689 4.648 3.960 -0.000 0.000 0.291 227 G C -1.069 173.770 174.900 -0.101 0.000 1.445 227 G CA 0.122 45.266 45.100 0.074 0.000 0.814 227 G HN 1.087 nan 8.290 nan 0.000 0.495 228 S N 0.076 115.650 115.700 -0.210 0.000 2.547 228 S HA 0.682 5.152 4.470 -0.000 0.000 0.270 228 S C -2.319 171.987 174.600 -0.489 0.000 1.150 228 S CA -1.006 56.924 58.200 -0.450 0.000 0.850 228 S CB 2.846 65.788 63.200 -0.430 0.000 1.118 228 S HN 0.460 nan 8.310 nan 0.000 0.461 229 P HA -0.116 nan 4.420 nan 0.000 0.220 229 P C -0.130 176.927 177.300 -0.405 0.000 1.144 229 P CA 1.245 64.084 63.100 -0.435 0.000 0.800 229 P CB -0.404 31.063 31.700 -0.388 0.000 0.772 230 N N -0.552 117.916 118.700 -0.386 0.000 2.886 230 N HA 0.140 4.880 4.740 -0.000 0.000 0.285 230 N C -1.057 174.225 175.510 -0.381 0.000 1.706 230 N CA -0.523 52.336 53.050 -0.318 0.000 0.904 230 N CB -0.685 37.727 38.487 -0.125 0.000 1.224 230 N HN -0.076 nan 8.380 nan 0.000 0.488 231 C N 1.514 120.449 119.300 -0.609 0.000 2.391 231 C HA 0.479 4.939 4.460 -0.000 0.000 0.339 231 C C -0.724 173.802 174.990 -0.774 0.000 1.205 231 C CA -1.222 57.318 59.018 -0.797 0.000 1.937 231 C CB 2.336 29.227 27.740 -1.414 0.000 2.341 231 C HN 0.428 nan 8.230 nan 0.000 0.516 232 P HA -0.099 nan 4.420 nan 0.000 0.229 232 P C 0.642 177.804 177.300 -0.230 0.000 1.150 232 P CA 1.657 64.531 63.100 -0.376 0.000 0.765 232 P CB -0.001 31.505 31.700 -0.325 0.000 0.783 233 W N -2.818 118.385 121.300 -0.162 0.000 2.870 233 W HA 0.654 5.314 4.660 -0.000 0.000 0.358 233 W C 0.665 177.234 176.519 0.084 0.000 1.043 233 W CA 0.218 57.566 57.345 0.005 0.000 1.692 233 W CB -0.668 28.869 29.460 0.129 0.000 1.100 233 W HN -0.133 nan 8.180 nan 0.000 0.557 234 A N 1.522 124.029 122.820 -0.521 0.000 2.238 234 A HA 0.299 4.619 4.320 -0.000 0.000 0.210 234 A C 0.747 178.081 177.584 -0.416 0.000 1.179 234 A CA 0.910 52.687 52.037 -0.434 0.000 0.827 234 A CB -0.451 18.126 19.000 -0.705 0.000 0.856 234 A HN 0.180 nan 8.150 nan 0.000 0.488 235 S N -0.798 114.693 115.700 -0.349 0.000 2.582 235 S HA 0.503 4.973 4.470 -0.000 0.000 0.287 235 S C -0.597 173.857 174.600 -0.243 0.000 1.146 235 S CA -0.228 57.767 58.200 -0.341 0.000 0.941 235 S CB 0.684 63.626 63.200 -0.429 0.000 1.115 235 S HN 1.051 nan 8.310 nan 0.000 0.458 236 V N 0.959 120.761 119.914 -0.187 0.000 3.369 236 V HA 0.922 5.041 4.120 -0.000 0.000 0.309 236 V C 0.744 176.762 176.094 -0.126 0.000 1.069 236 V CA -0.297 61.922 62.300 -0.134 0.000 1.042 236 V CB 0.808 32.578 31.823 -0.089 0.000 1.192 236 V HN 1.279 nan 8.190 nan 0.000 0.447 237 S N -0.069 115.571 115.700 -0.099 0.000 2.694 237 S HA 0.412 4.882 4.470 -0.000 0.000 0.278 237 S C 1.017 175.575 174.600 -0.070 0.000 1.152 237 S CA -0.030 58.117 58.200 -0.088 0.000 1.010 237 S CB 1.152 64.309 63.200 -0.072 0.000 1.104 237 S HN 1.752 nan 8.310 nan 0.000 0.547 238 V N -2.451 117.418 119.914 -0.075 0.000 3.129 238 V HA 0.248 4.367 4.120 -0.000 0.000 0.259 238 V C 2.048 178.148 176.094 0.010 0.000 1.116 238 V CA 0.999 63.264 62.300 -0.057 0.000 1.127 238 V CB -1.775 29.967 31.823 -0.135 0.000 0.742 238 V HN 0.924 nan 8.190 nan 0.000 0.474 239 A N 1.059 123.877 122.820 -0.003 0.000 1.843 239 A HA -0.019 4.301 4.320 -0.000 0.000 0.213 239 A C 2.172 179.753 177.584 -0.006 0.000 1.239 239 A CA 1.277 53.316 52.037 0.005 0.000 0.606 239 A CB -0.747 18.251 19.000 -0.004 0.000 0.903 239 A HN 0.501 nan 8.150 nan 0.000 0.455 240 E N 0.201 120.385 120.200 -0.025 0.000 2.147 240 E HA -0.134 4.215 4.350 -0.000 0.000 0.199 240 E C 1.843 178.433 176.600 -0.016 0.000 1.005 240 E CA 1.793 58.171 56.400 -0.037 0.000 0.810 240 E CB -0.740 28.923 29.700 -0.063 0.000 0.736 240 E HN 0.464 nan 8.360 nan 0.000 0.460 241 G N 0.352 109.151 108.800 -0.003 0.000 2.440 241 G HA2 -0.352 3.607 3.960 -0.000 0.000 0.218 241 G HA3 -0.352 3.607 3.960 -0.000 0.000 0.218 241 G C 1.719 176.652 174.900 0.055 0.000 1.154 241 G CA 0.856 45.978 45.100 0.038 0.000 0.767 241 G HN 0.314 nan 8.290 nan 0.000 0.552 242 R N 0.313 120.833 120.500 0.034 0.000 2.148 242 R HA 0.066 4.405 4.340 -0.000 0.000 0.223 242 R C 2.502 178.816 176.300 0.024 0.000 1.088 242 R CA 1.073 57.190 56.100 0.029 0.000 0.985 242 R CB -0.241 30.077 30.300 0.030 0.000 0.880 242 R HN 0.374 nan 8.270 nan 0.000 0.451 243 R N 0.494 121.003 120.500 0.016 0.000 2.062 243 R HA -0.093 4.247 4.340 -0.000 0.000 0.231 243 R C 2.167 178.477 176.300 0.017 0.000 1.136 243 R CA 1.638 57.740 56.100 0.004 0.000 0.948 243 R CB -0.090 30.200 30.300 -0.018 0.000 0.845 243 R HN 0.190 nan 8.270 nan 0.000 0.430 244 R N 0.023 120.539 120.500 0.027 0.000 2.096 244 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 244 R C 2.329 178.748 176.300 0.199 0.000 1.127 244 R CA 1.264 57.394 56.100 0.049 0.000 0.968 244 R CB -0.386 29.883 30.300 -0.053 0.000 0.861 244 R HN 0.297 nan 8.270 nan 0.000 0.440 245 A N 0.779 123.718 122.820 0.197 0.000 1.972 245 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 245 A C 2.286 179.886 177.584 0.026 0.000 1.169 245 A CA 1.291 53.378 52.037 0.083 0.000 0.635 245 A CB -0.258 18.719 19.000 -0.038 0.000 0.810 245 A HN 0.126 nan 8.150 nan 0.000 0.446 246 V N -0.475 119.456 119.914 0.028 0.000 2.788 246 V HA -0.117 4.003 4.120 -0.000 0.000 0.251 246 V C 2.381 178.490 176.094 0.025 0.000 1.068 246 V CA 1.962 64.270 62.300 0.013 0.000 1.090 246 V CB -0.345 31.483 31.823 0.008 0.000 0.710 246 V HN 0.691 nan 8.190 nan 0.000 0.467 247 E N 0.514 120.736 120.200 0.037 0.000 2.152 247 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 247 E C 1.866 178.497 176.600 0.052 0.000 0.983 247 E CA 0.822 57.241 56.400 0.030 0.000 0.818 247 E CB -0.157 29.548 29.700 0.008 0.000 0.758 247 E HN 0.459 nan 8.360 nan 0.000 0.467 248 L N -0.939 120.341 121.223 0.096 0.000 2.395 248 L HA 0.234 4.574 4.340 -0.000 0.000 0.218 248 L C 1.763 178.670 176.870 0.060 0.000 1.130 248 L CA 1.651 56.561 54.840 0.117 0.000 0.826 248 L CB -0.009 42.189 42.059 0.232 0.000 0.941 248 L HN 0.193 nan 8.230 nan 0.000 0.451 249 G N -1.588 107.233 108.800 0.035 0.000 3.126 249 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.224 249 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.224 249 G C 1.552 176.466 174.900 0.024 0.000 1.142 249 G CA -0.095 45.016 45.100 0.020 0.000 0.759 249 G HN 0.295 nan 8.290 nan 0.000 0.550 250 R N 0.164 120.681 120.500 0.028 0.000 2.300 250 R HA 0.157 4.497 4.340 -0.000 0.000 0.199 250 R C 1.411 177.728 176.300 0.028 0.000 0.920 250 R CA 0.307 56.422 56.100 0.024 0.000 1.046 250 R CB 0.082 30.394 30.300 0.020 0.000 0.984 250 R HN 0.145 nan 8.270 nan 0.000 0.493 251 N N -0.146 118.575 118.700 0.035 0.000 2.454 251 N HA 0.019 4.759 4.740 -0.000 0.000 0.177 251 N C 1.041 176.575 175.510 0.040 0.000 1.049 251 N CA 0.458 53.531 53.050 0.038 0.000 0.887 251 N CB 0.362 38.876 38.487 0.046 0.000 1.095 251 N HN 0.182 nan 8.380 nan 0.000 0.446 252 L N 1.384 122.632 121.223 0.041 0.000 2.675 252 L HA 0.127 4.467 4.340 -0.000 0.000 0.239 252 L C -0.106 176.785 176.870 0.035 0.000 1.151 252 L CA 0.065 54.930 54.840 0.041 0.000 0.905 252 L CB -0.640 41.446 42.059 0.045 0.000 1.057 252 L HN 0.070 nan 8.230 nan 0.000 0.435 253 N N -1.337 117.382 118.700 0.031 0.000 2.725 253 N HA -0.180 4.560 4.740 -0.000 0.000 0.249 253 N C 0.068 175.594 175.510 0.026 0.000 1.103 253 N CA 0.612 53.678 53.050 0.027 0.000 0.707 253 N CB -1.834 36.669 38.487 0.027 0.000 1.043 253 N HN 0.332 nan 8.380 nan 0.000 0.553 254 c N 0.911 119.527 118.600 0.027 0.000 2.500 254 c HA 0.238 4.808 4.570 -0.000 0.000 0.367 254 c C 1.454 175.559 174.090 0.025 0.000 1.283 254 c CA -0.938 55.407 56.329 0.027 0.000 2.456 254 c CB 0.857 43.383 42.510 0.027 0.000 2.457 254 c HN 0.402 nan 8.230 nan 0.000 0.632 255 N N 0.959 119.675 118.700 0.027 0.000 2.479 255 N HA 0.138 4.878 4.740 -0.000 0.000 0.257 255 N C -0.787 174.736 175.510 0.021 0.000 1.232 255 N CA 0.433 53.498 53.050 0.025 0.000 0.920 255 N CB 0.369 38.873 38.487 0.030 0.000 1.105 255 N HN 0.627 nan 8.380 nan 0.000 0.444 256 L N 3.034 124.266 121.223 0.016 0.000 3.193 256 L HA 0.271 4.611 4.340 -0.000 0.000 0.305 256 L C 0.741 177.616 176.870 0.009 0.000 1.299 256 L CA -0.339 54.508 54.840 0.012 0.000 0.904 256 L CB 0.172 42.238 42.059 0.011 0.000 1.331 256 L HN 0.480 nan 8.230 nan 0.000 0.588 257 N N -0.047 118.659 118.700 0.010 0.000 2.508 257 N HA 0.070 4.810 4.740 -0.000 0.000 0.186 257 N C 0.646 176.158 175.510 0.003 0.000 1.034 257 N CA 0.520 53.574 53.050 0.006 0.000 0.885 257 N CB 0.714 39.206 38.487 0.007 0.000 1.135 257 N HN 0.340 nan 8.380 nan 0.000 0.435 258 S N -0.007 115.696 115.700 0.004 0.000 2.521 258 S HA 0.361 4.831 4.470 -0.000 0.000 0.295 258 S C 0.106 174.706 174.600 0.000 0.000 1.098 258 S CA -0.787 57.413 58.200 -0.000 0.000 0.999 258 S CB 2.479 65.678 63.200 -0.002 0.000 1.034 258 S HN -0.072 nan 8.310 nan 0.000 0.483 259 D N 1.464 121.860 120.400 -0.006 0.000 2.311 259 D HA -0.088 4.552 4.640 -0.000 0.000 0.212 259 D C 0.618 176.917 176.300 -0.002 0.000 0.972 259 D CA 1.149 55.143 54.000 -0.010 0.000 0.887 259 D CB 0.119 40.909 40.800 -0.018 0.000 0.915 259 D HN 0.681 nan 8.370 nan 0.000 0.497 260 E N 0.161 120.359 120.200 -0.003 0.000 2.485 260 E HA 0.000 4.350 4.350 -0.000 0.000 0.194 260 E C 0.994 177.598 176.600 0.006 0.000 1.098 260 E CA 0.273 56.669 56.400 -0.008 0.000 0.878 260 E CB 0.233 29.919 29.700 -0.024 0.000 0.939 260 E HN 0.387 nan 8.360 nan 0.000 0.503 261 E N -1.627 118.594 120.200 0.035 0.000 2.583 261 E HA 0.040 4.390 4.350 -0.000 0.000 0.204 261 E C 1.259 177.913 176.600 0.090 0.000 0.860 261 E CA -0.078 56.366 56.400 0.074 0.000 1.473 261 E CB -0.023 29.706 29.700 0.048 0.000 1.469 261 E HN 0.069 nan 8.360 nan 0.000 0.788 262 L N 1.932 123.182 121.223 0.045 0.000 1.994 262 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 262 L C 1.947 178.830 176.870 0.022 0.000 1.071 262 L CA 1.778 56.632 54.840 0.023 0.000 0.745 262 L CB -0.276 41.777 42.059 -0.010 0.000 0.892 262 L HN 0.115 nan 8.230 nan 0.000 0.431 263 I N -0.989 119.589 120.570 0.014 0.000 2.567 263 I HA -0.262 3.908 4.170 -0.000 0.000 0.257 263 I C 2.076 178.282 176.117 0.149 0.000 1.184 263 I CA 1.165 62.473 61.300 0.013 0.000 1.451 263 I CB -0.481 37.516 38.000 -0.005 0.000 1.089 263 I HN 0.427 nan 8.210 nan 0.000 0.441 264 H N -0.719 118.378 119.070 0.045 0.000 2.544 264 H HA -0.008 4.548 4.556 -0.000 0.000 0.269 264 H C 2.084 177.450 175.328 0.064 0.000 0.970 264 H CA 0.758 56.842 56.048 0.061 0.000 1.219 264 H CB 0.152 29.938 29.762 0.040 0.000 1.421 264 H HN 0.321 nan 8.280 nan 0.000 0.555 265 c N -0.492 118.143 118.600 0.058 0.000 2.504 265 c HA 0.132 4.702 4.570 -0.000 0.000 0.279 265 c C 2.497 176.602 174.090 0.025 0.000 1.358 265 c CA 0.141 56.478 56.329 0.013 0.000 1.747 265 c CB -1.158 41.375 42.510 0.039 0.000 2.037 265 c HN 0.579 nan 8.230 nan 0.000 0.503 266 L N 0.420 121.685 121.223 0.069 0.000 2.056 266 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 266 L C 2.855 179.839 176.870 0.190 0.000 1.078 266 L CA 1.317 56.237 54.840 0.132 0.000 0.749 266 L CB -0.744 41.397 42.059 0.136 0.000 0.901 266 L HN 0.253 nan 8.230 nan 0.000 0.433 267 R N 0.189 120.806 120.500 0.195 0.000 2.200 267 R HA -0.108 4.232 4.340 -0.000 0.000 0.234 267 R C 0.717 177.027 176.300 0.017 0.000 1.127 267 R CA 0.664 56.826 56.100 0.103 0.000 0.989 267 R CB -0.159 30.177 30.300 0.061 0.000 0.869 267 R HN 0.321 nan 8.270 nan 0.000 0.459 268 E N 1.282 121.475 120.200 -0.012 0.000 2.304 268 E HA 0.086 4.436 4.350 -0.000 0.000 0.212 268 E C -0.308 176.302 176.600 0.016 0.000 1.185 268 E CA 0.337 56.721 56.400 -0.027 0.000 1.326 268 E CB 0.230 29.888 29.700 -0.069 0.000 1.283 268 E HN 0.076 nan 8.360 nan 0.000 0.440 269 K N 0.475 120.904 120.400 0.049 0.000 2.435 269 K HA 0.400 4.720 4.320 -0.000 0.000 0.251 269 K C 0.141 176.791 176.600 0.084 0.000 0.954 269 K CA -0.760 55.570 56.287 0.072 0.000 0.820 269 K CB 2.288 34.849 32.500 0.100 0.000 1.292 269 K HN -0.116 nan 8.250 nan 0.000 0.436 270 K N 1.615 122.063 120.400 0.081 0.000 2.295 270 K HA 0.093 4.413 4.320 -0.000 0.000 0.270 270 K C -1.715 174.970 176.600 0.142 0.000 1.011 270 K CA -1.577 54.757 56.287 0.079 0.000 0.953 270 K CB 0.338 32.876 32.500 0.064 0.000 0.956 270 K HN 0.109 nan 8.250 nan 0.000 0.477 271 P HA -0.246 nan 4.420 nan 0.000 0.215 271 P C 1.097 178.614 177.300 0.361 0.000 1.163 271 P CA 1.338 64.591 63.100 0.256 0.000 0.894 271 P CB 0.246 31.911 31.700 -0.058 0.000 0.791 272 Q N -0.221 119.708 119.800 0.214 0.000 2.291 272 Q HA -0.179 4.161 4.340 -0.000 0.000 0.206 272 Q C 1.917 178.037 176.000 0.200 0.000 0.976 272 Q CA 1.489 57.419 55.803 0.212 0.000 0.875 272 Q CB -0.764 28.063 28.738 0.148 0.000 0.927 272 Q HN 0.347 nan 8.270 nan 0.000 0.450 273 E N -0.875 119.430 120.200 0.175 0.000 2.051 273 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 273 E C 1.627 178.318 176.600 0.151 0.000 0.991 273 E CA 1.179 57.665 56.400 0.143 0.000 0.799 273 E CB -0.039 29.732 29.700 0.119 0.000 0.748 273 E HN 0.249 nan 8.360 nan 0.000 0.449 274 L N 0.764 122.091 121.223 0.172 0.000 1.994 274 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 274 L C 2.284 179.240 176.870 0.143 0.000 1.071 274 L CA 1.424 56.332 54.840 0.115 0.000 0.745 274 L CB -0.547 41.505 42.059 -0.013 0.000 0.892 274 L HN 0.167 nan 8.230 nan 0.000 0.431 275 I N -0.277 120.426 120.570 0.222 0.000 2.185 275 I HA -0.383 3.787 4.170 -0.000 0.000 0.246 275 I C 2.036 178.309 176.117 0.261 0.000 1.088 275 I CA 1.542 63.011 61.300 0.281 0.000 1.347 275 I CB -0.603 37.622 38.000 0.374 0.000 1.041 275 I HN 0.366 nan 8.210 nan 0.000 0.415 276 D N 0.464 120.997 120.400 0.220 0.000 2.178 276 D HA -0.097 4.543 4.640 -0.000 0.000 0.201 276 D C 1.670 178.064 176.300 0.156 0.000 0.980 276 D CA 1.589 55.701 54.000 0.187 0.000 0.842 276 D CB 0.053 40.943 40.800 0.151 0.000 0.948 276 D HN 0.414 nan 8.370 nan 0.000 0.472 277 V N -1.485 118.513 119.914 0.140 0.000 3.043 277 V HA 0.231 4.351 4.120 -0.000 0.000 0.357 277 V C 1.449 177.608 176.094 0.108 0.000 1.372 277 V CA -0.264 62.105 62.300 0.115 0.000 1.214 277 V CB 0.407 32.285 31.823 0.092 0.000 1.224 277 V HN -0.065 nan 8.190 nan 0.000 0.507 278 E N 0.665 120.936 120.200 0.118 0.000 2.076 278 E HA -0.135 4.215 4.350 -0.000 0.000 0.190 278 E C 1.165 177.660 176.600 -0.176 0.000 0.979 278 E CA 1.513 57.913 56.400 0.001 0.000 0.807 278 E CB 0.001 29.663 29.700 -0.063 0.000 0.761 278 E HN 0.783 nan 8.360 nan 0.000 0.454 279 W N 1.346 122.575 121.300 -0.119 0.000 3.345 279 W HA 0.179 4.839 4.660 -0.000 0.000 0.282 279 W C 1.236 177.679 176.519 -0.127 0.000 1.302 279 W CA -0.364 56.886 57.345 -0.157 0.000 1.724 279 W CB 0.126 29.462 29.460 -0.206 0.000 1.104 279 W HN 0.074 nan 8.180 nan 0.000 0.694 280 N N 0.220 118.964 118.700 0.073 0.000 2.422 280 N HA -0.079 4.661 4.740 -0.000 0.000 0.181 280 N C 1.870 177.367 175.510 -0.021 0.000 1.080 280 N CA 1.284 54.355 53.050 0.036 0.000 0.893 280 N CB -0.297 38.216 38.487 0.043 0.000 0.973 280 N HN 0.269 nan 8.380 nan 0.000 0.456 281 V N -1.345 118.514 119.914 -0.091 0.000 2.871 281 V HA 0.100 4.220 4.120 -0.000 0.000 0.256 281 V C 1.206 177.211 176.094 -0.149 0.000 1.082 281 V CA 0.388 62.607 62.300 -0.135 0.000 1.105 281 V CB -0.610 31.067 31.823 -0.244 0.000 0.713 281 V HN 0.017 nan 8.190 nan 0.000 0.473 282 L N 1.045 122.182 121.223 -0.142 0.000 2.483 282 L HA 0.171 4.511 4.340 -0.000 0.000 0.275 282 L C -0.932 175.859 176.870 -0.132 0.000 1.220 282 L CA -1.011 53.751 54.840 -0.131 0.000 0.833 282 L CB 0.725 42.742 42.059 -0.070 0.000 1.102 282 L HN 0.109 nan 8.230 nan 0.000 0.490 283 P HA -0.096 nan 4.420 nan 0.000 0.205 283 P C -0.394 176.755 177.300 -0.253 0.000 1.203 283 P CA 1.059 63.925 63.100 -0.390 0.000 0.926 283 P CB 0.138 31.349 31.700 -0.815 0.000 0.767 284 F N -1.003 118.963 119.950 0.028 0.000 2.378 284 F HA 0.178 4.705 4.527 -0.000 0.000 0.325 284 F C 0.815 176.634 175.800 0.031 0.000 1.097 284 F CA -1.148 56.870 58.000 0.030 0.000 1.079 284 F CB -0.545 38.477 39.000 0.038 0.000 1.240 284 F HN -0.292 nan 8.300 nan 0.000 0.519 285 D N 0.198 120.742 120.400 0.240 0.000 2.371 285 D HA 0.471 5.111 4.640 -0.000 0.000 0.256 285 D C -0.060 176.331 176.300 0.151 0.000 1.193 285 D CA -0.093 53.990 54.000 0.139 0.000 0.881 285 D CB 0.741 41.597 40.800 0.095 0.000 1.143 285 D HN 0.696 nan 8.370 nan 0.000 0.473 286 S N 0.431 116.207 115.700 0.127 0.000 2.638 286 S HA 0.697 5.167 4.470 -0.000 0.000 0.274 286 S C -0.649 174.010 174.600 0.098 0.000 1.157 286 S CA -1.136 57.143 58.200 0.131 0.000 0.826 286 S CB 1.383 64.688 63.200 0.175 0.000 1.139 286 S HN 0.652 nan 8.310 nan 0.000 0.474 287 I N -2.188 118.453 120.570 0.119 0.000 2.603 287 I HA 0.778 4.948 4.170 -0.000 0.000 0.300 287 I C -0.432 175.771 176.117 0.145 0.000 1.017 287 I CA -0.975 60.409 61.300 0.140 0.000 1.098 287 I CB 1.166 39.287 38.000 0.201 0.000 1.279 287 I HN 0.775 nan 8.210 nan 0.000 0.437 288 F N 3.245 123.138 119.950 -0.095 0.000 3.039 288 F HA -0.168 4.358 4.527 -0.000 0.000 0.287 288 F C -0.690 174.823 175.800 -0.478 0.000 0.956 288 F CA 0.502 58.233 58.000 -0.449 0.000 0.971 288 F CB -0.637 37.855 39.000 -0.847 0.000 0.943 288 F HN 0.706 nan 8.300 nan 0.000 0.766 289 R N 0.746 121.016 120.500 -0.382 0.000 2.566 289 R HA 0.576 4.916 4.340 -0.000 0.000 0.271 289 R C -0.767 175.175 176.300 -0.597 0.000 1.071 289 R CA -0.487 55.446 56.100 -0.279 0.000 0.915 289 R CB 1.194 31.491 30.300 -0.005 0.000 1.228 289 R HN 0.036 nan 8.270 nan 0.000 0.449 290 F N -0.984 119.059 119.950 0.156 0.000 2.631 290 F HA 0.452 4.978 4.527 -0.000 0.000 0.350 290 F C 1.635 177.306 175.800 -0.215 0.000 1.080 290 F CA -0.617 57.350 58.000 -0.054 0.000 1.026 290 F CB 1.101 40.105 39.000 0.008 0.000 1.347 290 F HN 0.323 nan 8.300 nan 0.000 0.501 291 S N -0.583 114.951 115.700 -0.278 0.000 2.398 291 S HA 0.198 4.668 4.470 -0.000 0.000 0.220 291 S C -0.362 173.834 174.600 -0.673 0.000 1.046 291 S CA 0.635 58.489 58.200 -0.576 0.000 0.953 291 S CB -0.036 62.633 63.200 -0.885 0.000 0.856 291 S HN 0.276 nan 8.310 nan 0.000 0.506 292 F N 2.199 122.115 119.950 -0.057 0.000 2.403 292 F HA 0.590 5.117 4.527 -0.000 0.000 0.355 292 F C -0.039 175.700 175.800 -0.102 0.000 1.119 292 F CA -1.265 56.721 58.000 -0.023 0.000 1.007 292 F CB 1.351 40.376 39.000 0.043 0.000 1.194 292 F HN -0.075 nan 8.300 nan 0.000 0.443 293 V N 1.062 120.949 119.914 -0.046 0.000 3.141 293 V HA 0.772 4.892 4.120 -0.000 0.000 0.312 293 V C -2.953 172.903 176.094 -0.397 0.000 1.157 293 V CA -3.382 58.636 62.300 -0.470 0.000 1.041 293 V CB 2.168 33.787 31.823 -0.340 0.000 1.071 293 V HN 0.303 nan 8.190 nan 0.000 0.441 294 P HA 0.226 nan 4.420 nan 0.000 0.266 294 P C -0.453 176.744 177.300 -0.172 0.000 1.193 294 P CA 0.344 63.272 63.100 -0.288 0.000 0.770 294 P CB 0.459 31.914 31.700 -0.408 0.000 0.836 295 V N 0.624 120.514 119.914 -0.041 0.000 2.881 295 V HA 0.527 4.647 4.120 -0.000 0.000 0.316 295 V C -0.270 175.841 176.094 0.029 0.000 1.070 295 V CA -0.723 61.549 62.300 -0.046 0.000 0.976 295 V CB 1.927 33.735 31.823 -0.026 0.000 1.038 295 V HN 0.194 nan 8.190 nan 0.000 0.446 296 I N 3.442 123.982 120.570 -0.050 0.000 2.361 296 I HA 0.328 4.498 4.170 -0.000 0.000 0.282 296 I C 0.275 176.370 176.117 -0.038 0.000 1.075 296 I CA -0.123 61.180 61.300 0.005 0.000 1.205 296 I CB 0.274 38.200 38.000 -0.122 0.000 1.406 296 I HN 0.988 nan 8.210 nan 0.000 0.481 297 D N 2.729 123.126 120.400 -0.005 0.000 2.367 297 D HA 0.127 4.767 4.640 -0.000 0.000 0.207 297 D C 1.449 177.703 176.300 -0.077 0.000 1.034 297 D CA 0.676 54.548 54.000 -0.213 0.000 0.861 297 D CB 0.423 41.124 40.800 -0.166 0.000 0.943 297 D HN 0.642 nan 8.370 nan 0.000 0.515 298 G N -0.025 108.811 108.800 0.059 0.000 2.157 298 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.248 298 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.248 298 G C 0.781 175.734 174.900 0.088 0.000 0.979 298 G CA 0.587 45.736 45.100 0.081 0.000 0.650 298 G HN 0.420 nan 8.290 nan 0.000 0.529 299 E N -1.238 119.021 120.200 0.100 0.000 2.329 299 E HA 0.484 4.834 4.350 -0.000 0.000 0.189 299 E C 1.724 178.343 176.600 0.032 0.000 0.997 299 E CA 0.148 56.593 56.400 0.074 0.000 1.062 299 E CB -0.175 29.588 29.700 0.105 0.000 1.260 299 E HN 0.210 nan 8.360 nan 0.000 0.490 300 F N -0.219 119.660 119.950 -0.119 0.000 2.293 300 F HA 0.233 4.760 4.527 -0.000 0.000 0.297 300 F C -0.039 175.467 175.800 -0.490 0.000 1.089 300 F CA 0.718 58.522 58.000 -0.326 0.000 1.377 300 F CB 0.406 39.140 39.000 -0.443 0.000 1.051 300 F HN -0.065 nan 8.300 nan 0.000 0.511 301 F N 0.774 120.869 119.950 0.241 0.000 2.552 301 F HA 0.373 4.900 4.527 -0.000 0.000 0.369 301 F C -1.778 174.058 175.800 0.060 0.000 1.112 301 F CA -3.052 55.029 58.000 0.134 0.000 1.129 301 F CB 0.660 39.709 39.000 0.080 0.000 1.360 301 F HN -0.234 nan 8.300 nan 0.000 0.473 302 P HA -0.130 nan 4.420 nan 0.000 0.215 302 P C 0.548 177.905 177.300 0.097 0.000 1.163 302 P CA 1.923 65.086 63.100 0.105 0.000 0.894 302 P CB 0.167 31.907 31.700 0.067 0.000 0.791 303 T N -5.763 108.854 114.554 0.105 0.000 2.773 303 T HA 0.511 4.861 4.350 -0.000 0.000 0.278 303 T C 0.040 174.775 174.700 0.058 0.000 1.011 303 T CA -0.726 61.413 62.100 0.066 0.000 1.014 303 T CB 0.805 69.702 68.868 0.047 0.000 1.293 303 T HN 0.027 nan 8.240 nan 0.000 0.554 304 S N -0.096 115.616 115.700 0.020 0.000 2.572 304 S HA 0.121 4.591 4.470 -0.000 0.000 0.267 304 S C 1.302 175.898 174.600 -0.006 0.000 1.361 304 S CA -0.677 57.512 58.200 -0.018 0.000 1.009 304 S CB -0.424 62.767 63.200 -0.015 0.000 0.888 304 S HN 0.646 nan 8.310 nan 0.000 0.553 305 L N 0.016 121.199 121.223 -0.068 0.000 2.376 305 L HA 0.039 4.379 4.340 -0.000 0.000 0.219 305 L C 2.653 179.563 176.870 0.067 0.000 1.133 305 L CA 1.102 55.920 54.840 -0.036 0.000 0.816 305 L CB -0.627 41.338 42.059 -0.157 0.000 0.933 305 L HN 0.764 nan 8.230 nan 0.000 0.449 306 E N 0.588 120.825 120.200 0.062 0.000 2.060 306 E HA -0.137 4.213 4.350 -0.000 0.000 0.189 306 E C 2.337 179.009 176.600 0.120 0.000 0.974 306 E CA 1.327 57.800 56.400 0.122 0.000 0.808 306 E CB 0.066 29.823 29.700 0.094 0.000 0.768 306 E HN 0.362 nan 8.360 nan 0.000 0.453 307 S N -0.020 115.729 115.700 0.081 0.000 2.402 307 S HA -0.151 4.319 4.470 -0.000 0.000 0.229 307 S C 1.975 176.615 174.600 0.066 0.000 1.021 307 S CA 1.149 59.389 58.200 0.067 0.000 0.974 307 S CB -0.413 62.812 63.200 0.042 0.000 0.800 307 S HN 0.261 nan 8.310 nan 0.000 0.484 308 M N 0.586 120.239 119.600 0.089 0.000 2.629 308 M HA 0.130 4.609 4.480 -0.000 0.000 0.257 308 M C 1.555 177.951 176.300 0.160 0.000 1.071 308 M CA 0.863 56.221 55.300 0.097 0.000 1.077 308 M CB -0.467 32.231 32.600 0.164 0.000 1.423 308 M HN 0.348 nan 8.290 nan 0.000 0.508 309 L N -0.851 120.494 121.223 0.204 0.000 2.347 309 L HA 0.032 4.372 4.340 -0.000 0.000 0.196 309 L C 1.951 178.973 176.870 0.253 0.000 1.072 309 L CA 0.290 55.323 54.840 0.321 0.000 0.817 309 L CB -0.402 41.810 42.059 0.255 0.000 1.029 309 L HN 0.216 nan 8.230 nan 0.000 0.478 310 N N 0.033 118.841 118.700 0.178 0.000 2.519 310 N HA -0.130 4.610 4.740 -0.000 0.000 0.186 310 N C 1.578 177.173 175.510 0.143 0.000 1.062 310 N CA 1.537 54.692 53.050 0.175 0.000 0.910 310 N CB 0.034 38.595 38.487 0.122 0.000 0.958 310 N HN 0.373 nan 8.380 nan 0.000 0.445 311 S N -1.877 113.825 115.700 0.004 0.000 2.578 311 S HA 0.315 4.784 4.470 -0.000 0.000 0.228 311 S C 1.067 175.345 174.600 -0.537 0.000 1.022 311 S CA 0.302 58.424 58.200 -0.130 0.000 0.967 311 S CB 0.760 63.899 63.200 -0.102 0.000 0.914 311 S HN 0.247 nan 8.310 nan 0.000 0.515 312 G N 1.922 110.182 108.800 -0.899 0.000 2.291 312 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.271 312 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.271 312 G C -0.281 173.875 174.900 -1.240 0.000 1.099 312 G CA -0.039 43.957 45.100 -1.839 0.000 0.919 312 G HN 0.545 nan 8.290 nan 0.000 0.496 313 N N 0.322 118.568 118.700 -0.757 0.000 3.301 313 N HA 0.616 5.356 4.740 -0.000 0.000 0.289 313 N C -0.041 175.384 175.510 -0.141 0.000 1.343 313 N CA -0.376 52.452 53.050 -0.371 0.000 1.136 313 N CB -0.195 38.210 38.487 -0.136 0.000 1.402 313 N HN 0.618 nan 8.380 nan 0.000 0.516 314 F N -1.603 118.310 119.950 -0.062 0.000 2.985 314 F HA 0.502 5.029 4.527 -0.000 0.000 0.322 314 F C -0.411 175.413 175.800 0.040 0.000 1.187 314 F CA -1.509 56.523 58.000 0.054 0.000 0.910 314 F CB 0.628 39.727 39.000 0.165 0.000 1.411 314 F HN -0.233 nan 8.300 nan 0.000 0.492 315 K N 1.365 122.076 120.400 0.518 0.000 2.339 315 K HA 0.305 4.625 4.320 -0.000 0.000 0.286 315 K C -1.156 175.706 176.600 0.435 0.000 1.050 315 K CA -0.407 56.065 56.287 0.308 0.000 0.956 315 K CB 0.675 33.266 32.500 0.152 0.000 0.990 315 K HN 0.597 nan 8.250 nan 0.000 0.475 316 K N 2.528 123.056 120.400 0.214 0.000 2.262 316 K HA 0.241 4.561 4.320 -0.000 0.000 0.282 316 K C -0.324 176.379 176.600 0.172 0.000 1.066 316 K CA -0.088 56.306 56.287 0.178 0.000 0.901 316 K CB 1.707 34.239 32.500 0.055 0.000 1.089 316 K HN 0.766 nan 8.250 nan 0.000 0.476 317 T N 1.439 116.169 114.554 0.295 0.000 2.676 317 T HA 0.251 4.600 4.350 -0.000 0.000 0.294 317 T C -1.633 173.265 174.700 0.329 0.000 1.647 317 T CA -0.679 61.550 62.100 0.216 0.000 0.992 317 T CB 0.351 69.292 68.868 0.121 0.000 1.951 317 T HN 0.374 nan 8.240 nan 0.000 0.446 318 Q N 1.109 121.063 119.800 0.256 0.000 2.266 318 Q HA 0.782 5.122 4.340 -0.000 0.000 0.261 318 Q C -0.558 175.686 176.000 0.406 0.000 0.985 318 Q CA -0.540 55.479 55.803 0.360 0.000 0.873 318 Q CB 1.555 30.515 28.738 0.371 0.000 1.306 318 Q HN 0.686 nan 8.270 nan 0.000 0.447 319 I N -1.087 119.637 120.570 0.257 0.000 2.534 319 I HA 0.559 4.729 4.170 -0.000 0.000 0.288 319 I C -1.376 174.622 176.117 -0.197 0.000 1.077 319 I CA -1.147 60.165 61.300 0.019 0.000 1.051 319 I CB 1.434 39.288 38.000 -0.244 0.000 1.234 319 I HN 0.486 nan 8.210 nan 0.000 0.425 320 L N 7.770 128.650 121.223 -0.572 0.000 2.309 320 L HA 0.812 5.152 4.340 -0.000 0.000 0.282 320 L C -0.876 175.791 176.870 -0.337 0.000 1.036 320 L CA -0.686 53.751 54.840 -0.672 0.000 0.806 320 L CB 1.531 42.764 42.059 -1.376 0.000 1.220 320 L HN 0.825 nan 8.230 nan 0.000 0.429 321 L N 2.239 123.393 121.223 -0.116 0.000 2.869 321 L HA 1.023 5.363 4.340 -0.000 0.000 0.265 321 L C -1.022 175.649 176.870 -0.332 0.000 1.011 321 L CA -0.637 54.148 54.840 -0.091 0.000 0.913 321 L CB 1.784 43.779 42.059 -0.106 0.000 1.490 321 L HN 0.676 nan 8.230 nan 0.000 0.410 322 G N 0.320 108.697 108.800 -0.705 0.000 2.411 322 G HA2 0.534 4.494 3.960 -0.000 0.000 0.295 322 G HA3 0.534 4.494 3.960 -0.000 0.000 0.295 322 G C -1.318 173.181 174.900 -0.667 0.000 1.542 322 G CA -0.076 44.245 45.100 -1.299 0.000 0.814 322 G HN 1.246 nan 8.290 nan 0.000 0.557 323 V N -0.964 118.812 119.914 -0.231 0.000 2.837 323 V HA 0.819 4.939 4.120 -0.000 0.000 0.310 323 V C 0.228 176.443 176.094 0.201 0.000 1.059 323 V CA -1.182 61.161 62.300 0.071 0.000 1.004 323 V CB 1.717 33.632 31.823 0.153 0.000 1.045 323 V HN 0.926 nan 8.190 nan 0.000 0.465 324 N N 1.604 120.397 118.700 0.156 0.000 2.479 324 N HA 0.232 4.972 4.740 -0.000 0.000 0.285 324 N C 0.713 176.172 175.510 -0.085 0.000 1.075 324 N CA -0.370 52.771 53.050 0.151 0.000 0.967 324 N CB 1.631 40.245 38.487 0.211 0.000 1.137 324 N HN 0.857 nan 8.380 nan 0.000 0.472 325 K N 1.814 122.013 120.400 -0.335 0.000 2.090 325 K HA -0.191 4.129 4.320 -0.000 0.000 0.218 325 K C -0.635 175.945 176.600 -0.034 0.000 1.055 325 K CA 1.942 57.989 56.287 -0.400 0.000 0.941 325 K CB -0.208 32.108 32.500 -0.308 0.000 0.722 325 K HN 0.716 nan 8.250 nan 0.000 0.458 326 D N 0.324 120.733 120.400 0.015 0.000 2.469 326 D HA 0.095 4.735 4.640 -0.000 0.000 0.251 326 D C -0.329 176.050 176.300 0.131 0.000 1.173 326 D CA -0.234 53.808 54.000 0.069 0.000 0.882 326 D CB 1.483 42.286 40.800 0.005 0.000 1.129 326 D HN 0.200 nan 8.370 nan 0.000 0.549 327 E N 0.662 120.972 120.200 0.183 0.000 2.463 327 E HA 0.121 4.471 4.350 -0.000 0.000 0.193 327 E C 1.374 178.216 176.600 0.403 0.000 1.041 327 E CA -0.046 56.539 56.400 0.307 0.000 0.879 327 E CB 1.179 31.032 29.700 0.255 0.000 0.997 327 E HN 0.547 nan 8.360 nan 0.000 0.478 328 G N 1.107 110.073 108.800 0.276 0.000 2.692 328 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.201 328 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.201 328 G C 1.575 176.634 174.900 0.265 0.000 1.063 328 G CA 0.518 45.794 45.100 0.293 0.000 0.790 328 G HN 0.267 nan 8.290 nan 0.000 0.599 329 S N 0.950 116.690 115.700 0.068 0.000 2.400 329 S HA -0.252 4.218 4.470 -0.000 0.000 0.234 329 S C 2.017 176.579 174.600 -0.062 0.000 1.049 329 S CA 1.407 59.519 58.200 -0.147 0.000 1.039 329 S CB -0.615 62.299 63.200 -0.477 0.000 0.856 329 S HN 0.127 nan 8.310 nan 0.000 0.465 330 F N 2.061 121.939 119.950 -0.121 0.000 2.046 330 F HA 0.035 4.562 4.527 -0.000 0.000 0.297 330 F C 2.009 177.703 175.800 -0.177 0.000 1.123 330 F CA 1.161 59.004 58.000 -0.262 0.000 1.199 330 F CB -0.886 37.730 39.000 -0.640 0.000 0.972 330 F HN 0.174 nan 8.300 nan 0.000 0.474 331 F N -0.282 119.729 119.950 0.102 0.000 2.408 331 F HA -0.160 4.366 4.527 -0.000 0.000 0.300 331 F C 2.060 177.934 175.800 0.123 0.000 1.090 331 F CA 0.786 58.812 58.000 0.043 0.000 1.427 331 F CB -1.117 37.848 39.000 -0.058 0.000 1.070 331 F HN -0.026 nan 8.300 nan 0.000 0.549 332 L N -1.215 120.158 121.223 0.250 0.000 2.168 332 L HA -0.054 4.285 4.340 -0.000 0.000 0.203 332 L C 2.352 179.375 176.870 0.256 0.000 1.078 332 L CA 0.295 55.196 54.840 0.103 0.000 0.780 332 L CB -0.626 41.136 42.059 -0.494 0.000 0.939 332 L HN 0.146 nan 8.230 nan 0.000 0.451 333 L N -0.531 120.882 121.223 0.317 0.000 2.005 333 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 333 L C 2.377 179.498 176.870 0.419 0.000 1.072 333 L CA 2.016 57.143 54.840 0.478 0.000 0.744 333 L CB -0.786 41.596 42.059 0.538 0.000 0.895 333 L HN 0.077 nan 8.230 nan 0.000 0.433 334 Y N -0.203 120.254 120.300 0.262 0.000 2.509 334 Y HA 0.191 4.741 4.550 -0.000 0.000 0.293 334 Y C 2.128 178.091 175.900 0.105 0.000 1.133 334 Y CA 0.822 59.030 58.100 0.180 0.000 1.283 334 Y CB -0.314 38.244 38.460 0.162 0.000 1.001 334 Y HN 0.347 nan 8.280 nan 0.000 0.555 335 G N -1.660 107.310 108.800 0.282 0.000 4.385 335 G HA2 0.536 4.496 3.960 -0.000 0.000 0.283 335 G HA3 0.536 4.496 3.960 -0.000 0.000 0.283 335 G C -0.475 174.551 174.900 0.210 0.000 1.020 335 G CA 0.380 45.594 45.100 0.190 0.000 0.790 335 G HN 0.266 nan 8.290 nan 0.000 0.420 336 A N 1.035 124.033 122.820 0.296 0.000 2.414 336 A HA 0.915 5.235 4.320 -0.000 0.000 0.306 336 A C -2.880 174.878 177.584 0.291 0.000 1.054 336 A CA -1.578 50.660 52.037 0.335 0.000 0.724 336 A CB 2.375 21.688 19.000 0.522 0.000 1.267 336 A HN 0.004 nan 8.150 nan 0.000 0.418 337 P HA 0.250 nan 4.420 nan 0.000 0.271 337 P C 1.052 178.270 177.300 -0.136 0.000 1.233 337 P CA 1.679 64.791 63.100 0.020 0.000 0.789 337 P CB 0.825 32.523 31.700 -0.004 0.000 0.951 338 G N 0.019 108.715 108.800 -0.173 0.000 2.377 338 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.250 338 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.250 338 G C -0.104 174.558 174.900 -0.398 0.000 1.039 338 G CA -0.015 44.880 45.100 -0.341 0.000 0.625 338 G HN 0.427 nan 8.290 nan 0.000 0.526 339 F N 1.648 121.585 119.950 -0.021 0.000 2.394 339 F HA 0.759 5.286 4.527 -0.000 0.000 0.340 339 F C 0.685 176.514 175.800 0.049 0.000 1.105 339 F CA -0.392 57.593 58.000 -0.025 0.000 1.124 339 F CB 2.024 41.109 39.000 0.143 0.000 1.145 339 F HN 0.147 nan 8.300 nan 0.000 0.505 340 S N 1.781 117.626 115.700 0.242 0.000 2.564 340 S HA 0.339 4.809 4.470 -0.000 0.000 0.274 340 S C 0.507 175.271 174.600 0.273 0.000 1.124 340 S CA -0.826 57.491 58.200 0.196 0.000 0.869 340 S CB 1.420 64.658 63.200 0.063 0.000 1.105 340 S HN 0.765 nan 8.310 nan 0.000 0.472 341 K N 1.292 121.785 120.400 0.155 0.000 2.167 341 K HA 0.138 4.458 4.320 -0.000 0.000 0.203 341 K C -0.352 176.233 176.600 -0.026 0.000 1.052 341 K CA 0.965 57.279 56.287 0.044 0.000 0.956 341 K CB -0.074 32.176 32.500 -0.418 0.000 0.735 341 K HN 0.454 nan 8.250 nan 0.000 0.451 342 D N 1.884 122.237 120.400 -0.078 0.000 2.772 342 D HA 0.139 4.778 4.640 -0.000 0.000 0.273 342 D C -0.534 175.749 176.300 -0.029 0.000 1.233 342 D CA 0.058 54.007 54.000 -0.085 0.000 0.984 342 D CB 1.029 41.740 40.800 -0.147 0.000 1.000 342 D HN 0.412 nan 8.370 nan 0.000 0.514 343 S N -0.761 114.950 115.700 0.018 0.000 2.979 343 S HA 0.188 4.657 4.470 -0.000 0.000 0.302 343 S C 0.431 175.005 174.600 -0.043 0.000 1.250 343 S CA -0.673 57.514 58.200 -0.022 0.000 1.148 343 S CB 1.380 64.548 63.200 -0.054 0.000 1.409 343 S HN 0.054 nan 8.310 nan 0.000 0.517 344 E N 0.655 120.773 120.200 -0.136 0.000 2.290 344 E HA 0.370 4.720 4.350 -0.000 0.000 0.197 344 E C -0.549 175.761 176.600 -0.485 0.000 0.948 344 E CA 0.413 56.686 56.400 -0.213 0.000 0.895 344 E CB 0.133 29.755 29.700 -0.130 0.000 0.865 344 E HN 0.612 nan 8.360 nan 0.000 0.486 345 S N 1.335 116.782 115.700 -0.421 0.000 3.797 345 S HA -0.137 4.332 4.470 -0.000 0.000 0.374 345 S C -0.497 173.851 174.600 -0.419 0.000 0.970 345 S CA 0.529 58.429 58.200 -0.499 0.000 1.177 345 S CB -1.281 61.381 63.200 -0.897 0.000 0.891 345 S HN 0.222 nan 8.310 nan 0.000 0.491 346 K N 1.093 121.318 120.400 -0.292 0.000 2.258 346 K HA 0.405 4.724 4.320 -0.000 0.000 0.284 346 K C 0.231 176.678 176.600 -0.256 0.000 1.051 346 K CA -0.494 55.661 56.287 -0.220 0.000 0.923 346 K CB 0.585 32.995 32.500 -0.151 0.000 1.046 346 K HN 0.199 nan 8.250 nan 0.000 0.474 347 I N 2.881 123.301 120.570 -0.251 0.000 2.331 347 I HA 0.042 4.212 4.170 -0.000 0.000 0.292 347 I C 1.073 177.101 176.117 -0.148 0.000 0.998 347 I CA -0.246 60.899 61.300 -0.257 0.000 1.267 347 I CB 0.948 38.788 38.000 -0.267 0.000 1.386 347 I HN 0.677 nan 8.210 nan 0.000 0.476 348 S N 6.120 121.749 115.700 -0.119 0.000 2.608 348 S HA 0.196 4.666 4.470 -0.000 0.000 0.261 348 S C 1.181 175.771 174.600 -0.017 0.000 1.314 348 S CA -0.394 57.766 58.200 -0.068 0.000 0.992 348 S CB 1.296 64.463 63.200 -0.055 0.000 0.935 348 S HN 0.623 nan 8.310 nan 0.000 0.564 349 R N 0.876 121.377 120.500 0.001 0.000 2.159 349 R HA -0.086 4.254 4.340 -0.000 0.000 0.237 349 R C 1.912 178.282 176.300 0.117 0.000 1.131 349 R CA 2.084 58.222 56.100 0.064 0.000 0.982 349 R CB -0.845 29.482 30.300 0.046 0.000 0.868 349 R HN 0.897 nan 8.270 nan 0.000 0.453 350 E N -0.019 120.215 120.200 0.057 0.000 2.028 350 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 350 E C 1.180 177.806 176.600 0.044 0.000 0.988 350 E CA 1.286 57.712 56.400 0.043 0.000 0.799 350 E CB -0.169 29.539 29.700 0.013 0.000 0.755 350 E HN 0.422 nan 8.360 nan 0.000 0.447 351 D N -0.027 120.387 120.400 0.024 0.000 2.403 351 D HA -0.119 4.521 4.640 -0.000 0.000 0.227 351 D C 1.288 177.639 176.300 0.085 0.000 0.995 351 D CA 0.584 54.588 54.000 0.007 0.000 0.928 351 D CB 0.008 40.758 40.800 -0.083 0.000 0.887 351 D HN 0.109 nan 8.370 nan 0.000 0.529 352 F N 0.925 120.856 119.950 -0.032 0.000 2.383 352 F HA -0.011 4.516 4.527 -0.000 0.000 0.287 352 F C 2.049 177.860 175.800 0.020 0.000 1.069 352 F CA 0.323 58.322 58.000 -0.001 0.000 1.402 352 F CB -0.079 38.908 39.000 -0.022 0.000 1.116 352 F HN -0.256 nan 8.300 nan 0.000 0.549 353 M N 0.794 120.333 119.600 -0.102 0.000 2.082 353 M HA -0.202 4.278 4.480 -0.000 0.000 0.258 353 M C 2.512 178.708 176.300 -0.173 0.000 1.071 353 M CA 2.184 57.380 55.300 -0.173 0.000 1.103 353 M CB -2.105 30.480 32.600 -0.024 0.000 1.307 353 M HN 0.368 nan 8.290 nan 0.000 0.409 354 S N -0.281 115.368 115.700 -0.085 0.000 2.428 354 S HA -0.007 4.463 4.470 -0.000 0.000 0.230 354 S C 2.137 176.702 174.600 -0.057 0.000 1.014 354 S CA 1.033 59.197 58.200 -0.059 0.000 0.957 354 S CB -1.337 61.851 63.200 -0.021 0.000 0.784 354 S HN 0.547 nan 8.310 nan 0.000 0.499 355 G N 2.017 110.782 108.800 -0.059 0.000 2.450 355 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.220 355 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.220 355 G C 1.500 176.372 174.900 -0.047 0.000 1.130 355 G CA 1.128 46.230 45.100 0.003 0.000 0.760 355 G HN 0.908 nan 8.290 nan 0.000 0.557 356 V N -1.506 118.290 119.914 -0.196 0.000 3.217 356 V HA 0.228 4.348 4.120 -0.000 0.000 0.264 356 V C 2.162 178.205 176.094 -0.084 0.000 1.135 356 V CA 2.039 64.246 62.300 -0.155 0.000 1.142 356 V CB -0.180 31.476 31.823 -0.277 0.000 0.754 356 V HN 0.356 nan 8.190 nan 0.000 0.484 357 K N -0.195 120.155 120.400 -0.084 0.000 2.078 357 K HA 0.085 4.404 4.320 -0.000 0.000 0.203 357 K C 2.000 178.576 176.600 -0.040 0.000 1.043 357 K CA 1.051 57.287 56.287 -0.085 0.000 0.960 357 K CB -0.136 32.308 32.500 -0.093 0.000 0.761 357 K HN 0.414 nan 8.250 nan 0.000 0.448 358 L N 1.338 122.564 121.223 0.006 0.000 2.079 358 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 358 L C 2.309 179.229 176.870 0.085 0.000 1.081 358 L CA 1.585 56.460 54.840 0.059 0.000 0.752 358 L CB -0.677 41.434 42.059 0.087 0.000 0.896 358 L HN 0.120 nan 8.230 nan 0.000 0.433 359 S N -1.367 114.378 115.700 0.075 0.000 2.371 359 S HA 0.008 4.478 4.470 -0.000 0.000 0.224 359 S C 0.972 175.607 174.600 0.058 0.000 1.029 359 S CA 0.643 58.898 58.200 0.091 0.000 0.978 359 S CB 0.020 63.279 63.200 0.099 0.000 0.833 359 S HN 0.162 nan 8.310 nan 0.000 0.466 360 V N 3.865 123.778 119.914 -0.002 0.000 2.204 360 V HA 0.201 4.321 4.120 -0.000 0.000 0.264 360 V C -1.552 174.476 176.094 -0.109 0.000 1.106 360 V CA -1.589 60.646 62.300 -0.109 0.000 0.947 360 V CB 0.552 32.322 31.823 -0.088 0.000 1.164 360 V HN 0.222 nan 8.190 nan 0.000 0.461 361 P HA -0.219 nan 4.420 nan 0.000 0.210 361 P C 1.566 178.945 177.300 0.131 0.000 1.189 361 P CA 1.933 65.122 63.100 0.149 0.000 0.920 361 P CB -0.077 31.887 31.700 0.440 0.000 0.782 362 H N 0.388 119.653 119.070 0.325 0.000 2.457 362 H HA 0.097 4.653 4.556 -0.000 0.000 0.297 362 H C 0.810 176.226 175.328 0.147 0.000 1.092 362 H CA 0.639 56.894 56.048 0.346 0.000 1.309 362 H CB -1.616 28.285 29.762 0.232 0.000 1.382 362 H HN 0.057 nan 8.280 nan 0.000 0.535 363 A N 2.064 124.646 122.820 -0.397 0.000 2.565 363 A HA -0.044 4.276 4.320 -0.000 0.000 0.237 363 A C 0.626 178.120 177.584 -0.149 0.000 1.053 363 A CA 0.368 52.242 52.037 -0.271 0.000 0.755 363 A CB -0.444 18.380 19.000 -0.293 0.000 0.980 363 A HN 0.718 nan 8.150 nan 0.000 0.506 364 N N 1.131 119.771 118.700 -0.101 0.000 2.340 364 N HA -0.030 4.710 4.740 -0.000 0.000 0.236 364 N C 0.740 176.195 175.510 -0.093 0.000 1.296 364 N CA 0.756 53.760 53.050 -0.078 0.000 0.896 364 N CB 0.457 38.906 38.487 -0.063 0.000 1.127 364 N HN 0.657 nan 8.380 nan 0.000 0.442 365 D N 0.411 120.764 120.400 -0.078 0.000 2.116 365 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 365 D C 1.686 177.956 176.300 -0.050 0.000 0.998 365 D CA 1.292 55.249 54.000 -0.071 0.000 0.836 365 D CB -0.152 40.615 40.800 -0.054 0.000 0.951 365 D HN 0.527 nan 8.370 nan 0.000 0.449 366 L N 0.125 121.324 121.223 -0.040 0.000 2.083 366 L HA 0.053 4.393 4.340 -0.000 0.000 0.209 366 L C 2.189 179.047 176.870 -0.019 0.000 1.083 366 L CA 2.279 57.106 54.840 -0.022 0.000 0.752 366 L CB -1.111 40.934 42.059 -0.024 0.000 0.899 366 L HN 0.136 nan 8.230 nan 0.000 0.433 367 G N -0.127 108.639 108.800 -0.056 0.000 2.450 367 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.220 367 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.220 367 G C 1.561 176.448 174.900 -0.022 0.000 1.130 367 G CA 1.125 46.181 45.100 -0.072 0.000 0.760 367 G HN 0.494 nan 8.290 nan 0.000 0.557 368 L N 0.321 121.525 121.223 -0.033 0.000 2.265 368 L HA -0.047 4.293 4.340 -0.000 0.000 0.215 368 L C 2.236 179.124 176.870 0.030 0.000 1.117 368 L CA 1.107 55.935 54.840 -0.020 0.000 0.782 368 L CB -0.370 41.655 42.059 -0.056 0.000 0.914 368 L HN 0.139 nan 8.230 nan 0.000 0.441 369 D N 0.560 120.994 120.400 0.057 0.000 2.120 369 D HA -0.077 4.563 4.640 -0.000 0.000 0.202 369 D C 2.334 178.730 176.300 0.160 0.000 0.972 369 D CA 1.181 55.247 54.000 0.110 0.000 0.837 369 D CB -0.118 40.736 40.800 0.091 0.000 0.989 369 D HN 0.227 nan 8.370 nan 0.000 0.469 370 A N 0.548 123.479 122.820 0.184 0.000 2.024 370 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 370 A C 2.232 179.957 177.584 0.235 0.000 1.164 370 A CA 1.106 53.322 52.037 0.299 0.000 0.643 370 A CB -0.664 18.631 19.000 0.491 0.000 0.806 370 A HN 0.162 nan 8.150 nan 0.000 0.451 371 V N -0.915 119.129 119.914 0.217 0.000 2.407 371 V HA -0.155 3.965 4.120 -0.000 0.000 0.245 371 V C 2.657 178.831 176.094 0.134 0.000 1.041 371 V CA 2.254 64.636 62.300 0.137 0.000 1.040 371 V CB -1.223 30.718 31.823 0.196 0.000 0.671 371 V HN 0.559 nan 8.190 nan 0.000 0.455 372 T N 0.981 115.629 114.554 0.157 0.000 2.708 372 T HA -0.164 4.186 4.350 -0.000 0.000 0.266 372 T C 1.917 176.751 174.700 0.224 0.000 1.037 372 T CA 1.817 64.057 62.100 0.233 0.000 1.146 372 T CB -0.365 68.634 68.868 0.217 0.000 0.865 372 T HN 0.306 nan 8.240 nan 0.000 0.435 373 L N 1.195 122.594 121.223 0.294 0.000 2.191 373 L HA -0.021 4.319 4.340 -0.000 0.000 0.212 373 L C 2.351 179.268 176.870 0.078 0.000 1.103 373 L CA 1.688 56.776 54.840 0.414 0.000 0.769 373 L CB -0.668 41.580 42.059 0.316 0.000 0.908 373 L HN 0.124 nan 8.230 nan 0.000 0.438 374 Q N -1.366 118.316 119.800 -0.196 0.000 2.123 374 Q HA -0.138 4.202 4.340 -0.000 0.000 0.199 374 Q C 0.942 176.583 176.000 -0.598 0.000 0.966 374 Q CA 1.775 57.215 55.803 -0.605 0.000 0.845 374 Q CB -0.110 27.858 28.738 -1.284 0.000 0.907 374 Q HN 0.661 nan 8.270 nan 0.000 0.439 375 Y N -1.171 119.087 120.300 -0.068 0.000 2.531 375 Y HA 0.380 4.929 4.550 -0.000 0.000 0.249 375 Y C -0.267 175.536 175.900 -0.161 0.000 1.168 375 Y CA -0.276 57.801 58.100 -0.039 0.000 1.226 375 Y CB 0.871 39.391 38.460 0.099 0.000 1.177 375 Y HN -0.186 nan 8.280 nan 0.000 0.527 376 T N 1.085 115.529 114.554 -0.184 0.000 2.794 376 T HA 0.106 4.455 4.350 -0.000 0.000 0.280 376 T C -0.723 173.604 174.700 -0.622 0.000 0.987 376 T CA -0.710 61.059 62.100 -0.551 0.000 0.993 376 T CB 1.322 69.594 68.868 -0.993 0.000 0.939 376 T HN 0.066 nan 8.240 nan 0.000 0.449 377 D N 2.297 122.421 120.400 -0.460 0.000 2.456 377 D HA 0.080 4.720 4.640 -0.000 0.000 0.219 377 D C 0.140 176.287 176.300 -0.256 0.000 1.126 377 D CA -0.606 53.240 54.000 -0.257 0.000 0.890 377 D CB 0.456 41.175 40.800 -0.136 0.000 1.025 377 D HN 0.604 nan 8.370 nan 0.000 0.511 378 W N 3.274 124.564 121.300 -0.017 0.000 2.421 378 W HA -0.153 4.507 4.660 -0.000 0.000 0.270 378 W C 2.253 178.765 176.519 -0.013 0.000 1.233 378 W CA 0.056 57.394 57.345 -0.011 0.000 1.226 378 W CB -0.335 29.123 29.460 -0.004 0.000 1.121 378 W HN 0.374 nan 8.180 nan 0.000 0.579 379 M N -0.482 119.216 119.600 0.163 0.000 2.086 379 M HA -0.123 4.357 4.480 -0.000 0.000 0.261 379 M C 0.131 176.460 176.300 0.049 0.000 1.067 379 M CA 1.636 56.992 55.300 0.093 0.000 1.116 379 M CB -1.143 31.494 32.600 0.060 0.000 1.348 379 M HN -0.067 nan 8.290 nan 0.000 0.407 380 D N 1.043 121.448 120.400 0.009 0.000 2.513 380 D HA 0.061 4.701 4.640 -0.000 0.000 0.295 380 D C -0.138 176.123 176.300 -0.065 0.000 1.202 380 D CA -0.148 53.841 54.000 -0.019 0.000 0.849 380 D CB 0.290 41.077 40.800 -0.022 0.000 1.116 380 D HN 0.190 nan 8.370 nan 0.000 0.502 381 D N 0.782 121.140 120.400 -0.069 0.000 2.336 381 D HA -0.005 4.635 4.640 -0.000 0.000 0.228 381 D C -0.129 176.100 176.300 -0.117 0.000 1.120 381 D CA -0.185 53.728 54.000 -0.145 0.000 0.839 381 D CB 0.127 40.817 40.800 -0.183 0.000 0.932 381 D HN 0.159 nan 8.370 nan 0.000 0.509 382 N N 0.703 119.358 118.700 -0.075 0.000 2.214 382 N HA -0.004 4.736 4.740 -0.000 0.000 0.214 382 N C -0.262 175.205 175.510 -0.073 0.000 1.132 382 N CA -0.185 52.828 53.050 -0.062 0.000 0.856 382 N CB 0.384 38.852 38.487 -0.032 0.000 1.020 382 N HN 0.189 nan 8.380 nan 0.000 0.509 383 N N 0.482 119.129 118.700 -0.089 0.000 2.425 383 N HA 0.153 4.893 4.740 -0.000 0.000 0.268 383 N C 1.143 176.590 175.510 -0.106 0.000 0.991 383 N CA -0.122 52.878 53.050 -0.082 0.000 0.931 383 N CB 1.559 40.006 38.487 -0.067 0.000 1.130 383 N HN 0.076 nan 8.380 nan 0.000 0.493 384 G N 3.964 112.705 108.800 -0.098 0.000 2.462 384 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.220 384 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.220 384 G C 1.572 176.421 174.900 -0.086 0.000 1.121 384 G CA 0.481 45.514 45.100 -0.111 0.000 0.758 384 G HN 0.696 nan 8.290 nan 0.000 0.559 385 I N 0.267 120.800 120.570 -0.062 0.000 2.127 385 I HA -0.181 3.988 4.170 -0.000 0.000 0.241 385 I C 2.647 178.748 176.117 -0.028 0.000 1.075 385 I CA 1.406 62.692 61.300 -0.024 0.000 1.334 385 I CB -0.171 37.822 38.000 -0.013 0.000 1.040 385 I HN 0.129 nan 8.210 nan 0.000 0.405 386 K N 0.558 120.917 120.400 -0.069 0.000 2.442 386 K HA -0.078 4.242 4.320 -0.000 0.000 0.198 386 K C 1.386 177.884 176.600 -0.171 0.000 1.042 386 K CA 0.716 56.944 56.287 -0.097 0.000 0.958 386 K CB -0.116 32.310 32.500 -0.124 0.000 0.766 386 K HN 0.388 nan 8.250 nan 0.000 0.474 387 N N 0.355 118.941 118.700 -0.191 0.000 2.388 387 N HA -0.035 4.705 4.740 -0.000 0.000 0.176 387 N C 1.536 177.025 175.510 -0.035 0.000 1.062 387 N CA 0.426 53.304 53.050 -0.287 0.000 0.895 387 N CB 0.252 38.551 38.487 -0.314 0.000 1.018 387 N HN 0.182 nan 8.380 nan 0.000 0.456 388 R N 1.193 121.721 120.500 0.048 0.000 2.066 388 R HA 0.028 4.368 4.340 -0.000 0.000 0.224 388 R C 0.591 177.030 176.300 0.231 0.000 1.122 388 R CA 1.035 57.274 56.100 0.232 0.000 0.974 388 R CB 0.137 30.553 30.300 0.194 0.000 0.871 388 R HN 0.009 nan 8.270 nan 0.000 0.435 389 D N -0.595 119.890 120.400 0.143 0.000 2.350 389 D HA -0.057 4.583 4.640 -0.000 0.000 0.216 389 D C 1.361 177.710 176.300 0.083 0.000 0.968 389 D CA 1.080 55.157 54.000 0.129 0.000 0.894 389 D CB 0.294 41.156 40.800 0.103 0.000 0.909 389 D HN 0.505 nan 8.370 nan 0.000 0.520 390 G N 0.881 109.712 108.800 0.053 0.000 2.524 390 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.210 390 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.210 390 G C 1.484 176.375 174.900 -0.015 0.000 1.187 390 G CA -0.172 44.925 45.100 -0.004 0.000 0.825 390 G HN 0.163 nan 8.290 nan 0.000 0.558 391 L N 1.105 122.444 121.223 0.194 0.000 2.191 391 L HA 0.023 4.362 4.340 -0.000 0.000 0.212 391 L C 2.057 179.025 176.870 0.165 0.000 1.103 391 L CA 2.186 57.192 54.840 0.277 0.000 0.769 391 L CB -0.330 42.011 42.059 0.471 0.000 0.908 391 L HN 0.306 nan 8.230 nan 0.000 0.438 392 D N -1.223 119.266 120.400 0.148 0.000 2.162 392 D HA -0.169 4.471 4.640 -0.000 0.000 0.203 392 D C 1.533 177.868 176.300 0.058 0.000 0.967 392 D CA 1.061 55.127 54.000 0.110 0.000 0.840 392 D CB 0.086 40.975 40.800 0.148 0.000 0.972 392 D HN 0.338 nan 8.370 nan 0.000 0.482 393 D N -0.757 119.638 120.400 -0.009 0.000 2.312 393 D HA 0.013 4.652 4.640 -0.000 0.000 0.211 393 D C 1.849 178.070 176.300 -0.132 0.000 0.964 393 D CA 0.333 54.307 54.000 -0.044 0.000 0.877 393 D CB 0.103 40.869 40.800 -0.056 0.000 0.924 393 D HN 0.354 nan 8.370 nan 0.000 0.515 394 I N -0.237 120.208 120.570 -0.209 0.000 2.202 394 I HA -0.211 3.959 4.170 -0.000 0.000 0.242 394 I C 2.139 178.260 176.117 0.006 0.000 1.091 394 I CA 0.589 61.855 61.300 -0.057 0.000 1.368 394 I CB -0.192 37.839 38.000 0.053 0.000 1.058 394 I HN -0.072 nan 8.210 nan 0.000 0.410 395 V N 1.173 121.102 119.914 0.025 0.000 2.255 395 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 395 V C 2.618 178.696 176.094 -0.028 0.000 1.051 395 V CA 2.323 64.633 62.300 0.017 0.000 1.018 395 V CB -1.586 30.285 31.823 0.081 0.000 0.641 395 V HN 0.572 nan 8.190 nan 0.000 0.445 396 G N -0.364 108.461 108.800 0.042 0.000 2.421 396 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.216 396 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.216 396 G C 1.197 176.096 174.900 -0.002 0.000 1.171 396 G CA 1.212 46.355 45.100 0.071 0.000 0.775 396 G HN 0.521 nan 8.290 nan 0.000 0.543 397 D N -0.636 119.756 120.400 -0.012 0.000 2.097 397 D HA -0.078 4.562 4.640 -0.000 0.000 0.195 397 D C 2.094 178.167 176.300 -0.379 0.000 0.989 397 D CA 1.306 55.267 54.000 -0.066 0.000 0.827 397 D CB -0.325 40.555 40.800 0.134 0.000 0.966 397 D HN 0.418 nan 8.370 nan 0.000 0.456 398 H N 0.723 119.338 119.070 -0.759 0.000 2.256 398 H HA 0.038 4.594 4.556 -0.000 0.000 0.299 398 H C 1.428 176.462 175.328 -0.490 0.000 1.071 398 H CA 1.775 57.213 56.048 -1.016 0.000 1.280 398 H CB -0.141 28.990 29.762 -1.052 0.000 1.370 398 H HN -0.000 nan 8.280 nan 0.000 0.490 399 N N -0.420 117.932 118.700 -0.580 0.000 2.463 399 N HA -0.020 4.720 4.740 -0.000 0.000 0.181 399 N C 0.974 176.414 175.510 -0.117 0.000 1.078 399 N CA 0.930 53.665 53.050 -0.525 0.000 0.902 399 N CB 1.086 38.810 38.487 -1.271 0.000 0.970 399 N HN 0.259 nan 8.380 nan 0.000 0.451 400 V N 0.249 120.104 119.914 -0.097 0.000 4.197 400 V HA 0.127 4.247 4.120 -0.000 0.000 0.176 400 V C 2.043 178.142 176.094 0.007 0.000 1.208 400 V CA -0.232 62.092 62.300 0.040 0.000 1.306 400 V CB -0.204 31.698 31.823 0.131 0.000 1.585 400 V HN -0.113 nan 8.190 nan 0.000 0.552 401 I N 0.896 121.485 120.570 0.032 0.000 2.074 401 I HA -0.401 3.769 4.170 -0.000 0.000 0.238 401 I C 2.592 178.728 176.117 0.032 0.000 1.037 401 I CA 2.354 63.685 61.300 0.051 0.000 1.301 401 I CB -0.590 37.475 38.000 0.109 0.000 1.016 401 I HN 0.446 nan 8.210 nan 0.000 0.400 402 c N 0.441 119.059 118.600 0.030 0.000 2.429 402 c HA -0.052 4.518 4.570 -0.000 0.000 0.277 402 c C 0.209 174.343 174.090 0.074 0.000 1.262 402 c CA 0.833 57.210 56.329 0.080 0.000 1.733 402 c CB -1.802 40.795 42.510 0.146 0.000 2.010 402 c HN 0.382 nan 8.230 nan 0.000 0.483 403 P HA -0.034 nan 4.420 nan 0.000 0.225 403 P C 1.602 178.941 177.300 0.063 0.000 1.156 403 P CA 0.876 63.987 63.100 0.018 0.000 0.787 403 P CB -0.148 31.484 31.700 -0.114 0.000 0.802 404 L N -1.970 119.265 121.223 0.021 0.000 2.156 404 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 404 L C 1.893 178.792 176.870 0.048 0.000 1.095 404 L CA 1.433 56.282 54.840 0.014 0.000 0.770 404 L CB -0.393 41.651 42.059 -0.025 0.000 0.914 404 L HN -0.103 nan 8.230 nan 0.000 0.439 405 M N -1.197 118.428 119.600 0.042 0.000 2.236 405 M HA -0.130 4.350 4.480 -0.000 0.000 0.266 405 M C 2.220 178.568 176.300 0.080 0.000 1.070 405 M CA 1.377 56.685 55.300 0.013 0.000 1.137 405 M CB -1.479 31.140 32.600 0.031 0.000 1.378 405 M HN 0.388 nan 8.290 nan 0.000 0.426 406 H N 0.217 119.322 119.070 0.060 0.000 2.352 406 H HA -0.195 4.361 4.556 -0.000 0.000 0.299 406 H C 1.787 177.177 175.328 0.104 0.000 1.097 406 H CA 1.988 58.085 56.048 0.082 0.000 1.311 406 H CB -0.311 29.500 29.762 0.082 0.000 1.377 406 H HN 0.205 nan 8.280 nan 0.000 0.504 407 F N 0.377 120.258 119.950 -0.115 0.000 2.010 407 F HA -0.213 4.314 4.527 -0.000 0.000 0.296 407 F C 2.709 178.411 175.800 -0.164 0.000 1.146 407 F CA 1.789 59.683 58.000 -0.177 0.000 1.181 407 F CB -1.267 37.648 39.000 -0.143 0.000 0.965 407 F HN 0.130 nan 8.300 nan 0.000 0.480 408 V N 1.428 121.206 119.914 -0.227 0.000 2.380 408 V HA -0.325 3.795 4.120 -0.000 0.000 0.251 408 V C 2.031 177.983 176.094 -0.237 0.000 1.063 408 V CA 2.639 64.722 62.300 -0.361 0.000 1.055 408 V CB -0.785 30.743 31.823 -0.491 0.000 0.657 408 V HN 0.496 nan 8.190 nan 0.000 0.455 409 N N -0.166 118.447 118.700 -0.144 0.000 2.520 409 N HA -0.070 4.670 4.740 -0.000 0.000 0.185 409 N C 1.550 177.018 175.510 -0.070 0.000 1.068 409 N CA 0.890 53.926 53.050 -0.023 0.000 0.911 409 N CB -0.032 38.476 38.487 0.034 0.000 0.961 409 N HN 0.542 nan 8.380 nan 0.000 0.446 410 K N -0.683 119.617 120.400 -0.166 0.000 2.286 410 K HA 0.066 4.385 4.320 -0.000 0.000 0.203 410 K C 1.664 178.253 176.600 -0.018 0.000 1.078 410 K CA 0.024 56.254 56.287 -0.094 0.000 0.957 410 K CB -0.646 31.767 32.500 -0.145 0.000 1.018 410 K HN 0.093 nan 8.250 nan 0.000 0.484 411 Y N 2.881 122.946 120.300 -0.391 0.000 2.165 411 Y HA -0.230 4.320 4.550 -0.000 0.000 0.286 411 Y C 2.072 177.926 175.900 -0.075 0.000 1.155 411 Y CA 1.982 59.840 58.100 -0.405 0.000 1.164 411 Y CB -0.294 37.646 38.460 -0.867 0.000 0.978 411 Y HN 0.011 nan 8.280 nan 0.000 0.513 412 T N -0.597 113.964 114.554 0.012 0.000 2.849 412 T HA -0.184 4.165 4.350 -0.000 0.000 0.270 412 T C 1.784 176.433 174.700 -0.084 0.000 1.066 412 T CA 1.585 63.701 62.100 0.028 0.000 1.130 412 T CB -0.213 68.729 68.868 0.124 0.000 0.864 412 T HN 0.128 nan 8.240 nan 0.000 0.481 413 K N 0.045 120.332 120.400 -0.188 0.000 2.555 413 K HA 0.165 4.484 4.320 -0.000 0.000 0.193 413 K C 1.080 177.238 176.600 -0.737 0.000 1.032 413 K CA 0.434 56.449 56.287 -0.453 0.000 1.004 413 K CB -0.347 31.795 32.500 -0.597 0.000 0.804 413 K HN 0.576 nan 8.250 nan 0.000 0.496 414 F N -1.415 118.482 119.950 -0.089 0.000 2.570 414 F HA 0.339 4.866 4.527 -0.000 0.000 0.290 414 F C 1.756 177.442 175.800 -0.190 0.000 0.910 414 F CA -0.402 57.522 58.000 -0.126 0.000 1.119 414 F CB -0.614 38.317 39.000 -0.116 0.000 0.922 414 F HN 0.167 nan 8.300 nan 0.000 0.703 415 G N 0.180 108.833 108.800 -0.244 0.000 2.597 415 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.283 415 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.283 415 G C 0.429 175.350 174.900 0.035 0.000 1.319 415 G CA 0.045 44.986 45.100 -0.264 0.000 1.054 415 G HN 0.398 nan 8.290 nan 0.000 0.583 416 N N -0.676 118.118 118.700 0.157 0.000 2.203 416 N HA 0.352 5.092 4.740 -0.000 0.000 0.207 416 N C 0.366 175.974 175.510 0.163 0.000 1.130 416 N CA 0.367 53.497 53.050 0.133 0.000 0.861 416 N CB 0.303 38.863 38.487 0.123 0.000 1.005 416 N HN 0.899 nan 8.380 nan 0.000 0.507 417 G N 0.113 109.033 108.800 0.200 0.000 2.462 417 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.424 417 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.424 417 G C -1.070 173.944 174.900 0.191 0.000 1.573 417 G CA -0.910 44.288 45.100 0.163 0.000 0.913 417 G HN -0.034 nan 8.290 nan 0.000 0.672 418 T N 1.017 115.584 114.554 0.022 0.000 2.887 418 T HA 0.727 5.077 4.350 -0.000 0.000 0.288 418 T C -1.293 173.261 174.700 -0.242 0.000 1.021 418 T CA -0.362 61.741 62.100 0.005 0.000 1.000 418 T CB 1.606 70.487 68.868 0.023 0.000 1.034 418 T HN 0.472 nan 8.240 nan 0.000 0.467 419 Y N 1.617 121.884 120.300 -0.054 0.000 2.333 419 Y HA 0.546 5.096 4.550 -0.000 0.000 0.324 419 Y C -0.536 175.491 175.900 0.213 0.000 1.033 419 Y CA -1.015 57.054 58.100 -0.053 0.000 1.224 419 Y CB 1.216 39.230 38.460 -0.743 0.000 1.120 419 Y HN 0.441 nan 8.280 nan 0.000 0.457 420 L N 5.247 126.831 121.223 0.603 0.000 2.352 420 L HA 0.713 5.053 4.340 -0.000 0.000 0.269 420 L C -1.012 176.318 176.870 0.767 0.000 1.034 420 L CA -0.873 54.243 54.840 0.460 0.000 0.806 420 L CB 0.805 42.938 42.059 0.124 0.000 1.244 420 L HN 0.508 nan 8.230 nan 0.000 0.447 421 Y N 1.798 122.416 120.300 0.530 0.000 2.728 421 Y HA 0.705 5.254 4.550 -0.000 0.000 0.330 421 Y C -1.890 174.347 175.900 0.560 0.000 1.234 421 Y CA -2.036 56.359 58.100 0.492 0.000 1.070 421 Y CB 1.030 39.719 38.460 0.382 0.000 1.300 421 Y HN 0.491 nan 8.280 nan 0.000 0.467 422 F N 2.949 123.328 119.950 0.716 0.000 3.034 422 F HA 0.409 4.936 4.527 -0.000 0.000 0.371 422 F C -1.854 174.261 175.800 0.524 0.000 1.233 422 F CA -1.792 56.537 58.000 0.548 0.000 1.134 422 F CB 0.770 40.099 39.000 0.547 0.000 1.495 422 F HN 0.539 nan 8.300 nan 0.000 0.563 423 F N 6.991 127.055 119.950 0.190 0.000 2.468 423 F HA 0.273 4.800 4.527 -0.000 0.000 0.356 423 F C 0.035 175.703 175.800 -0.220 0.000 1.167 423 F CA -0.309 57.686 58.000 -0.008 0.000 1.135 423 F CB 0.100 39.137 39.000 0.061 0.000 1.197 423 F HN 0.485 nan 8.300 nan 0.000 0.569 424 N N 3.188 121.540 118.700 -0.581 0.000 2.818 424 N HA 0.179 4.919 4.740 -0.000 0.000 0.301 424 N C -1.523 173.733 175.510 -0.424 0.000 1.821 424 N CA -0.620 52.132 53.050 -0.495 0.000 0.930 424 N CB 0.079 38.447 38.487 -0.198 0.000 1.263 424 N HN 0.516 nan 8.380 nan 0.000 0.487 425 H N 0.050 118.591 119.070 -0.883 0.000 2.840 425 H HA 0.489 5.045 4.556 -0.000 0.000 0.340 425 H C -0.934 174.157 175.328 -0.395 0.000 1.004 425 H CA -0.960 54.746 56.048 -0.569 0.000 1.288 425 H CB 1.084 30.504 29.762 -0.570 0.000 1.607 425 H HN 0.425 nan 8.280 nan 0.000 0.522 426 R N 4.004 124.160 120.500 -0.573 0.000 2.265 426 R HA 0.707 5.046 4.340 -0.000 0.000 0.314 426 R C -0.932 175.035 176.300 -0.554 0.000 1.053 426 R CA -0.350 55.508 56.100 -0.404 0.000 0.931 426 R CB 0.777 30.949 30.300 -0.214 0.000 1.024 426 R HN 0.573 nan 8.270 nan 0.000 0.457 427 A N 3.454 126.167 122.820 -0.178 0.000 2.401 427 A HA 0.247 4.567 4.320 -0.000 0.000 0.259 427 A C 1.236 178.824 177.584 0.006 0.000 1.103 427 A CA -0.027 52.044 52.037 0.056 0.000 0.789 427 A CB 0.357 19.632 19.000 0.460 0.000 1.035 427 A HN 1.103 nan 8.150 nan 0.000 0.491 428 S N 2.644 118.368 115.700 0.039 0.000 2.369 428 S HA -0.310 4.160 4.470 -0.000 0.000 0.225 428 S C 1.188 175.757 174.600 -0.052 0.000 1.043 428 S CA 1.873 60.076 58.200 0.005 0.000 1.074 428 S CB -0.924 62.301 63.200 0.041 0.000 0.962 428 S HN 1.044 nan 8.310 nan 0.000 0.433 429 N N 1.527 120.143 118.700 -0.141 0.000 2.551 429 N HA 0.166 4.905 4.740 -0.000 0.000 0.199 429 N C 0.093 175.536 175.510 -0.112 0.000 1.277 429 N CA -0.163 52.783 53.050 -0.172 0.000 0.870 429 N CB -0.711 37.582 38.487 -0.324 0.000 1.028 429 N HN 0.434 nan 8.380 nan 0.000 0.452 430 L N 0.844 122.042 121.223 -0.041 0.000 2.499 430 L HA 0.000 4.340 4.340 -0.000 0.000 0.281 430 L C 0.831 177.741 176.870 0.068 0.000 1.234 430 L CA 0.191 55.061 54.840 0.049 0.000 0.839 430 L CB 0.866 42.953 42.059 0.047 0.000 1.104 430 L HN 0.289 nan 8.230 nan 0.000 0.500 431 V N -0.044 119.966 119.914 0.160 0.000 2.982 431 V HA 0.382 4.502 4.120 -0.000 0.000 0.368 431 V C -0.524 175.520 176.094 -0.083 0.000 1.350 431 V CA -0.562 61.765 62.300 0.045 0.000 1.251 431 V CB -1.268 30.553 31.823 -0.003 0.000 1.284 431 V HN 0.677 nan 8.190 nan 0.000 0.533 432 W N 0.033 121.306 121.300 -0.046 0.000 2.975 432 W HA 0.716 5.376 4.660 -0.000 0.000 0.342 432 W C -2.491 173.945 176.519 -0.138 0.000 1.168 432 W CA -2.329 54.943 57.345 -0.121 0.000 1.141 432 W CB 0.930 30.250 29.460 -0.233 0.000 1.445 432 W HN -0.207 nan 8.180 nan 0.000 0.560 433 P HA -0.037 nan 4.420 nan 0.000 0.271 433 P C 0.420 177.742 177.300 0.037 0.000 1.244 433 P CA 0.231 63.397 63.100 0.110 0.000 0.793 433 P CB 1.207 33.093 31.700 0.309 0.000 0.984 434 E N 1.104 121.376 120.200 0.120 0.000 2.106 434 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 434 E C 1.806 178.468 176.600 0.104 0.000 0.984 434 E CA 1.522 57.974 56.400 0.088 0.000 0.806 434 E CB -0.831 28.936 29.700 0.112 0.000 0.750 434 E HN 0.571 nan 8.360 nan 0.000 0.458 435 W N 0.302 121.618 121.300 0.027 0.000 2.374 435 W HA -0.119 4.541 4.660 -0.000 0.000 0.288 435 W C 1.297 177.825 176.519 0.015 0.000 1.218 435 W CA 0.687 58.052 57.345 0.033 0.000 1.245 435 W CB -1.069 28.428 29.460 0.061 0.000 1.126 435 W HN 0.057 nan 8.180 nan 0.000 0.545 436 M N 1.548 120.651 119.600 -0.830 0.000 2.706 436 M HA 0.067 4.547 4.480 -0.000 0.000 0.251 436 M C 1.931 177.984 176.300 -0.410 0.000 1.070 436 M CA 1.561 56.335 55.300 -0.878 0.000 1.073 436 M CB -1.097 30.916 32.600 -0.977 0.000 1.449 436 M HN 0.208 nan 8.290 nan 0.000 0.531 437 G N 0.913 109.576 108.800 -0.228 0.000 2.665 437 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.326 437 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.326 437 G C 0.107 174.901 174.900 -0.177 0.000 1.231 437 G CA 0.263 45.280 45.100 -0.137 0.000 0.992 437 G HN 0.318 nan 8.290 nan 0.000 0.549 438 V N 2.265 122.090 119.914 -0.147 0.000 2.266 438 V HA 0.407 4.526 4.120 -0.000 0.000 0.266 438 V C 0.938 177.007 176.094 -0.041 0.000 1.036 438 V CA -0.383 61.847 62.300 -0.117 0.000 0.828 438 V CB 0.375 32.108 31.823 -0.151 0.000 1.081 438 V HN 0.588 nan 8.190 nan 0.000 0.449 439 I N 2.224 122.688 120.570 -0.178 0.000 3.110 439 I HA -0.076 4.094 4.170 -0.000 0.000 0.305 439 I C 1.144 177.440 176.117 0.297 0.000 1.232 439 I CA 0.281 61.509 61.300 -0.119 0.000 1.431 439 I CB 0.057 37.681 38.000 -0.626 0.000 1.320 439 I HN 0.529 nan 8.210 nan 0.000 0.583 440 H N 4.495 123.712 119.070 0.244 0.000 3.046 440 H HA 0.099 4.655 4.556 -0.000 0.000 0.303 440 H C 0.947 176.458 175.328 0.306 0.000 1.002 440 H CA 0.730 56.941 56.048 0.272 0.000 1.460 440 H CB 0.321 30.220 29.762 0.228 0.000 1.493 440 H HN 0.804 nan 8.280 nan 0.000 0.559 441 G N 4.989 114.020 108.800 0.385 0.000 2.144 441 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 441 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 441 G C -0.097 174.850 174.900 0.078 0.000 0.988 441 G CA 0.152 45.369 45.100 0.195 0.000 0.659 441 G HN 0.617 nan 8.290 nan 0.000 0.522 442 Y N 1.072 121.556 120.300 0.307 0.000 2.801 442 Y HA 0.378 4.928 4.550 -0.000 0.000 0.318 442 Y C 1.657 177.766 175.900 0.348 0.000 1.073 442 Y CA 0.065 58.385 58.100 0.367 0.000 1.360 442 Y CB 0.450 39.118 38.460 0.346 0.000 1.220 442 Y HN 0.464 nan 8.280 nan 0.000 0.536 443 E N -1.179 119.076 120.200 0.092 0.000 2.474 443 E HA 0.059 4.409 4.350 -0.000 0.000 0.215 443 E C 1.433 178.054 176.600 0.036 0.000 0.867 443 E CA 0.349 56.517 56.400 -0.386 0.000 1.135 443 E CB -0.422 28.541 29.700 -1.229 0.000 1.147 443 E HN 0.515 nan 8.360 nan 0.000 0.534 444 I N 2.788 123.461 120.570 0.171 0.000 2.335 444 I HA -0.276 3.894 4.170 -0.000 0.000 0.251 444 I C 2.477 178.736 176.117 0.237 0.000 1.129 444 I CA 2.136 63.610 61.300 0.289 0.000 1.402 444 I CB -0.322 37.893 38.000 0.359 0.000 1.069 444 I HN 0.241 nan 8.210 nan 0.000 0.424 445 E N 0.469 120.751 120.200 0.136 0.000 2.358 445 E HA -0.150 4.199 4.350 -0.000 0.000 0.195 445 E C 1.753 178.235 176.600 -0.197 0.000 1.010 445 E CA 0.959 57.330 56.400 -0.047 0.000 0.856 445 E CB -0.256 29.389 29.700 -0.092 0.000 0.795 445 E HN 0.417 nan 8.360 nan 0.000 0.504 446 F N 0.669 120.584 119.950 -0.059 0.000 2.530 446 F HA 0.071 4.598 4.527 -0.000 0.000 0.292 446 F C 2.123 177.812 175.800 -0.186 0.000 1.109 446 F CA 0.162 58.076 58.000 -0.144 0.000 1.450 446 F CB 0.168 39.109 39.000 -0.099 0.000 1.114 446 F HN -0.118 nan 8.300 nan 0.000 0.560 447 V N -0.841 119.089 119.914 0.027 0.000 2.358 447 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 447 V C 1.140 177.133 176.094 -0.169 0.000 1.047 447 V CA 1.484 63.701 62.300 -0.138 0.000 1.035 447 V CB -0.579 31.255 31.823 0.019 0.000 0.658 447 V HN 0.156 nan 8.190 nan 0.000 0.452 448 F N 0.959 120.835 119.950 -0.124 0.000 2.873 448 F HA 0.448 4.974 4.527 -0.000 0.000 0.289 448 F C 1.700 177.376 175.800 -0.207 0.000 1.206 448 F CA 0.075 57.998 58.000 -0.129 0.000 1.401 448 F CB -0.695 38.210 39.000 -0.159 0.000 0.996 448 F HN 0.207 nan 8.300 nan 0.000 0.511 449 G N 0.586 109.328 108.800 -0.096 0.000 2.439 449 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.305 449 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.305 449 G C 1.354 176.027 174.900 -0.379 0.000 0.966 449 G CA 0.417 45.411 45.100 -0.177 0.000 0.890 449 G HN 0.363 nan 8.290 nan 0.000 0.513 450 L N -0.208 120.717 121.223 -0.497 0.000 2.042 450 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 450 L C 0.560 177.107 176.870 -0.539 0.000 1.076 450 L CA 2.687 57.164 54.840 -0.605 0.000 0.749 450 L CB -1.996 39.784 42.059 -0.465 0.000 0.893 450 L HN 0.217 nan 8.230 nan 0.000 0.432 451 P HA -0.139 nan 4.420 nan 0.000 0.218 451 P C 1.946 179.065 177.300 -0.301 0.000 1.148 451 P CA 0.782 63.414 63.100 -0.780 0.000 0.822 451 P CB 0.044 31.143 31.700 -1.001 0.000 0.784 452 L N -1.264 119.816 121.223 -0.238 0.000 2.189 452 L HA -0.120 4.220 4.340 -0.000 0.000 0.214 452 L C 1.304 178.138 176.870 -0.059 0.000 1.097 452 L CA 1.344 56.121 54.840 -0.105 0.000 0.764 452 L CB -1.164 40.865 42.059 -0.050 0.000 0.900 452 L HN -0.077 nan 8.230 nan 0.000 0.436 453 V N 0.958 120.824 119.914 -0.079 0.000 2.389 453 V HA 0.296 4.416 4.120 -0.000 0.000 0.264 453 V C 1.307 177.395 176.094 -0.010 0.000 1.049 453 V CA -0.032 62.252 62.300 -0.026 0.000 0.932 453 V CB 0.753 32.569 31.823 -0.011 0.000 1.011 453 V HN 0.341 nan 8.190 nan 0.000 0.475 454 K N 4.886 125.288 120.400 0.003 0.000 2.795 454 K HA 0.065 4.385 4.320 -0.000 0.000 0.223 454 K C 0.721 177.332 176.600 0.017 0.000 0.965 454 K CA 1.063 57.361 56.287 0.018 0.000 1.092 454 K CB -0.474 32.034 32.500 0.012 0.000 0.900 454 K HN 0.882 nan 8.250 nan 0.000 0.483 455 E N -0.972 119.237 120.200 0.015 0.000 2.541 455 E HA 0.160 4.510 4.350 -0.000 0.000 0.219 455 E C 1.324 177.921 176.600 -0.005 0.000 0.922 455 E CA -0.078 56.323 56.400 0.002 0.000 1.095 455 E CB 0.278 29.975 29.700 -0.006 0.000 1.112 455 E HN 0.533 nan 8.360 nan 0.000 0.516 456 L N 0.785 122.022 121.223 0.023 0.000 2.599 456 L HA 0.112 4.452 4.340 -0.000 0.000 0.230 456 L C -0.162 176.665 176.870 -0.072 0.000 1.141 456 L CA 0.303 55.144 54.840 0.001 0.000 0.877 456 L CB -0.649 41.485 42.059 0.125 0.000 1.009 456 L HN 0.140 nan 8.230 nan 0.000 0.447 457 N N -2.013 116.683 118.700 -0.007 0.000 2.776 457 N HA -0.231 4.509 4.740 -0.000 0.000 0.249 457 N C -0.556 174.930 175.510 -0.040 0.000 1.111 457 N CA 0.041 53.072 53.050 -0.031 0.000 0.711 457 N CB -1.214 37.228 38.487 -0.075 0.000 1.065 457 N HN 0.247 nan 8.380 nan 0.000 0.556 458 Y N 1.028 121.310 120.300 -0.030 0.000 2.299 458 Y HA 0.122 4.672 4.550 -0.000 0.000 0.335 458 Y C 2.070 177.986 175.900 0.028 0.000 1.287 458 Y CA 0.371 58.473 58.100 0.003 0.000 1.424 458 Y CB 0.456 38.906 38.460 -0.017 0.000 1.326 458 Y HN 0.086 nan 8.280 nan 0.000 0.567 459 T N -1.596 113.096 114.554 0.230 0.000 3.092 459 T HA 0.312 4.662 4.350 -0.000 0.000 0.374 459 T C 1.271 176.051 174.700 0.132 0.000 1.190 459 T CA 0.040 62.228 62.100 0.147 0.000 1.021 459 T CB 0.016 68.967 68.868 0.139 0.000 1.556 459 T HN 0.680 nan 8.240 nan 0.000 0.540 460 A N 0.865 123.740 122.820 0.093 0.000 1.871 460 A HA 0.080 4.400 4.320 -0.000 0.000 0.211 460 A C 2.179 179.801 177.584 0.063 0.000 1.207 460 A CA 0.820 52.895 52.037 0.064 0.000 0.620 460 A CB -0.689 18.335 19.000 0.041 0.000 0.860 460 A HN 0.902 nan 8.150 nan 0.000 0.450 461 E N 0.963 121.200 120.200 0.062 0.000 2.526 461 E HA -0.113 4.237 4.350 -0.000 0.000 0.198 461 E C 0.716 177.364 176.600 0.080 0.000 1.091 461 E CA 0.842 57.265 56.400 0.038 0.000 0.880 461 E CB -0.296 29.404 29.700 -0.001 0.000 0.873 461 E HN 0.784 nan 8.360 nan 0.000 0.527 462 E N 0.774 121.074 120.200 0.167 0.000 2.244 462 E HA -0.026 4.324 4.350 -0.000 0.000 0.196 462 E C 1.776 178.475 176.600 0.165 0.000 0.939 462 E CA 0.208 56.793 56.400 0.308 0.000 0.884 462 E CB 0.139 30.135 29.700 0.493 0.000 0.850 462 E HN 0.304 nan 8.360 nan 0.000 0.481 463 E N 1.202 121.435 120.200 0.055 0.000 2.152 463 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 463 E C 1.943 178.535 176.600 -0.013 0.000 0.983 463 E CA 0.826 57.203 56.400 -0.038 0.000 0.818 463 E CB 0.067 29.752 29.700 -0.026 0.000 0.758 463 E HN 0.180 nan 8.360 nan 0.000 0.467 464 A N 1.017 123.844 122.820 0.011 0.000 1.873 464 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 464 A C 2.096 179.672 177.584 -0.014 0.000 1.186 464 A CA 1.073 53.103 52.037 -0.012 0.000 0.616 464 A CB -0.582 18.411 19.000 -0.012 0.000 0.823 464 A HN 0.377 nan 8.150 nan 0.000 0.442 465 L N -0.180 121.059 121.223 0.026 0.000 2.201 465 L HA -0.004 4.336 4.340 -0.000 0.000 0.212 465 L C 2.245 179.147 176.870 0.054 0.000 1.105 465 L CA 2.192 57.044 54.840 0.019 0.000 0.775 465 L CB -0.472 41.596 42.059 0.015 0.000 0.913 465 L HN 0.291 nan 8.230 nan 0.000 0.440 466 S N -1.237 114.531 115.700 0.114 0.000 2.660 466 S HA 0.034 4.504 4.470 -0.000 0.000 0.223 466 S C 1.794 176.361 174.600 -0.054 0.000 0.963 466 S CA 0.372 58.607 58.200 0.058 0.000 0.932 466 S CB -0.352 62.808 63.200 -0.067 0.000 0.775 466 S HN 0.561 nan 8.310 nan 0.000 0.531 467 R N -0.219 120.240 120.500 -0.067 0.000 2.342 467 R HA 0.214 4.554 4.340 -0.000 0.000 0.204 467 R C 2.378 178.599 176.300 -0.133 0.000 0.882 467 R CA 0.315 56.360 56.100 -0.091 0.000 1.041 467 R CB 0.068 30.315 30.300 -0.089 0.000 1.188 467 R HN 0.423 nan 8.270 nan 0.000 0.598 468 R N 0.626 121.018 120.500 -0.180 0.000 2.100 468 R HA 0.124 4.464 4.340 -0.000 0.000 0.220 468 R C 1.839 177.914 176.300 -0.375 0.000 1.091 468 R CA 0.899 56.783 56.100 -0.360 0.000 0.986 468 R CB -0.455 29.649 30.300 -0.327 0.000 0.888 468 R HN 0.061 nan 8.270 nan 0.000 0.444 469 I N 1.325 121.754 120.570 -0.235 0.000 2.252 469 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 469 I C 2.616 178.447 176.117 -0.476 0.000 1.102 469 I CA 1.452 62.492 61.300 -0.434 0.000 1.385 469 I CB -0.269 37.326 38.000 -0.676 0.000 1.064 469 I HN 0.167 nan 8.210 nan 0.000 0.414 470 M N -0.455 118.969 119.600 -0.294 0.000 2.132 470 M HA -0.233 4.247 4.480 -0.000 0.000 0.263 470 M C 2.392 178.717 176.300 0.042 0.000 1.065 470 M CA 1.726 56.944 55.300 -0.136 0.000 1.122 470 M CB -0.759 31.786 32.600 -0.092 0.000 1.365 470 M HN 0.260 nan 8.290 nan 0.000 0.411 471 H N -0.611 118.397 119.070 -0.104 0.000 2.495 471 H HA -0.103 4.453 4.556 -0.000 0.000 0.287 471 H C 1.215 176.588 175.328 0.074 0.000 1.033 471 H CA 1.538 57.547 56.048 -0.066 0.000 1.307 471 H CB 0.162 29.820 29.762 -0.175 0.000 1.401 471 H HN 0.284 nan 8.280 nan 0.000 0.555 472 Y N -2.082 118.325 120.300 0.178 0.000 2.448 472 Y HA -0.030 4.520 4.550 -0.000 0.000 0.289 472 Y C 1.997 178.149 175.900 0.419 0.000 1.114 472 Y CA 0.077 58.343 58.100 0.277 0.000 1.235 472 Y CB -0.536 38.233 38.460 0.515 0.000 1.045 472 Y HN 0.331 nan 8.280 nan 0.000 0.554 473 W N -0.739 120.604 121.300 0.071 0.000 2.443 473 W HA -0.046 4.613 4.660 -0.000 0.000 0.296 473 W C 2.371 178.842 176.519 -0.079 0.000 1.202 473 W CA 0.868 58.180 57.345 -0.055 0.000 1.312 473 W CB -0.121 29.253 29.460 -0.142 0.000 1.120 473 W HN -0.013 nan 8.180 nan 0.000 0.536 474 A N 0.037 122.951 122.820 0.157 0.000 1.874 474 A HA -0.108 4.212 4.320 -0.000 0.000 0.214 474 A C 1.716 179.286 177.584 -0.023 0.000 1.189 474 A CA 1.818 53.872 52.037 0.029 0.000 0.615 474 A CB -1.224 17.791 19.000 0.024 0.000 0.830 474 A HN 0.111 nan 8.150 nan 0.000 0.443 475 T N -0.532 113.973 114.554 -0.082 0.000 3.025 475 T HA -0.080 4.270 4.350 -0.000 0.000 0.270 475 T C 1.358 176.018 174.700 -0.066 0.000 1.126 475 T CA 1.327 63.343 62.100 -0.140 0.000 1.105 475 T CB -0.344 68.335 68.868 -0.316 0.000 0.884 475 T HN 0.473 nan 8.240 nan 0.000 0.522 476 F N 1.982 121.840 119.950 -0.154 0.000 2.219 476 F HA 0.335 4.862 4.527 -0.000 0.000 0.294 476 F C 2.349 178.046 175.800 -0.172 0.000 1.086 476 F CA 0.401 58.272 58.000 -0.215 0.000 1.330 476 F CB -0.624 38.200 39.000 -0.294 0.000 1.047 476 F HN 0.126 nan 8.300 nan 0.000 0.495 477 A N 0.411 123.118 122.820 -0.188 0.000 1.940 477 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 477 A C 2.055 179.494 177.584 -0.242 0.000 1.176 477 A CA 2.047 53.947 52.037 -0.228 0.000 0.631 477 A CB -0.543 18.398 19.000 -0.098 0.000 0.814 477 A HN 0.396 nan 8.150 nan 0.000 0.446 478 K N -0.827 119.459 120.400 -0.191 0.000 2.067 478 K HA -0.011 4.308 4.320 -0.000 0.000 0.203 478 K C 2.267 178.757 176.600 -0.183 0.000 1.048 478 K CA 1.831 58.028 56.287 -0.151 0.000 0.954 478 K CB -0.445 31.996 32.500 -0.098 0.000 0.737 478 K HN 0.657 nan 8.250 nan 0.000 0.444 479 T N -4.092 110.333 114.554 -0.215 0.000 3.021 479 T HA 0.217 4.567 4.350 -0.000 0.000 0.245 479 T C 1.489 176.022 174.700 -0.278 0.000 1.028 479 T CA 0.642 62.626 62.100 -0.193 0.000 1.139 479 T CB 0.287 69.081 68.868 -0.124 0.000 0.884 479 T HN 0.268 nan 8.240 nan 0.000 0.457 480 G N 1.399 109.890 108.800 -0.515 0.000 2.138 480 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.193 480 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.193 480 G C -0.174 174.589 174.900 -0.229 0.000 0.998 480 G CA -0.041 44.656 45.100 -0.672 0.000 0.668 480 G HN 0.955 nan 8.290 nan 0.000 0.516 481 N N -0.460 118.134 118.700 -0.177 0.000 2.752 481 N HA 0.413 5.153 4.740 -0.000 0.000 0.268 481 N C -2.003 173.393 175.510 -0.191 0.000 1.190 481 N CA -1.018 51.878 53.050 -0.257 0.000 0.897 481 N CB 1.865 40.315 38.487 -0.062 0.000 1.515 481 N HN -0.104 nan 8.380 nan 0.000 0.567 482 P HA -0.028 nan 4.420 nan 0.000 0.250 482 P C -0.819 176.559 177.300 0.130 0.000 1.239 482 P CA 0.400 63.484 63.100 -0.028 0.000 0.756 482 P CB -0.158 31.486 31.700 -0.092 0.000 1.013 483 N N 1.554 120.285 118.700 0.052 0.000 2.437 483 N HA 0.117 4.857 4.740 -0.000 0.000 0.259 483 N C 0.344 175.921 175.510 0.112 0.000 0.983 483 N CA -0.305 52.838 53.050 0.155 0.000 0.937 483 N CB 1.101 39.688 38.487 0.166 0.000 1.122 483 N HN 0.035 nan 8.380 nan 0.000 0.499 484 E N 2.112 122.394 120.200 0.138 0.000 2.436 484 E HA 0.012 4.361 4.350 -0.000 0.000 0.262 484 E C -1.954 174.699 176.600 0.090 0.000 1.063 484 E CA -1.009 55.455 56.400 0.107 0.000 0.944 484 E CB 0.287 30.070 29.700 0.139 0.000 0.950 484 E HN 0.347 nan 8.360 nan 0.000 0.444 485 P HA -0.075 nan 4.420 nan 0.000 0.257 485 P C 0.082 177.418 177.300 0.061 0.000 1.359 485 P CA 1.274 64.408 63.100 0.057 0.000 1.239 485 P CB -1.067 30.657 31.700 0.041 0.000 1.549 486 H N -0.988 118.125 119.070 0.072 0.000 2.941 486 H HA -0.160 4.396 4.556 -0.000 0.000 0.279 486 H C 0.385 175.754 175.328 0.069 0.000 1.247 486 H CA 0.309 56.397 56.048 0.068 0.000 1.129 486 H CB -2.560 nan 29.762 nan 0.000 1.313 486 H HN 0.619 nan 8.280 nan 0.000 0.384 487 S N 0.050 115.801 115.700 0.084 0.000 2.564 487 S HA 0.497 4.967 4.470 -0.000 0.000 0.278 487 S C 1.808 176.457 174.600 0.081 0.000 1.333 487 S CA 1.226 59.476 58.200 0.082 0.000 1.048 487 S CB 0.904 64.165 63.200 0.102 0.000 0.900 487 S HN 1.855 nan 8.310 nan 0.000 0.505 488 Q N 1.983 121.821 119.800 0.064 0.000 2.576 488 Q HA 0.016 4.356 4.340 -0.000 0.000 0.218 488 Q C 0.661 176.702 176.000 0.068 0.000 0.983 488 Q CA 1.408 57.246 55.803 0.058 0.000 0.920 488 Q CB -1.064 27.699 28.738 0.043 0.000 0.973 488 Q HN 0.839 nan 8.270 nan 0.000 0.528 489 E N 0.784 121.036 120.200 0.087 0.000 2.373 489 E HA 0.304 4.654 4.350 -0.000 0.000 0.267 489 E C 0.016 176.691 176.600 0.125 0.000 1.032 489 E CA -0.109 56.353 56.400 0.103 0.000 0.889 489 E CB 1.379 31.157 29.700 0.129 0.000 0.984 489 E HN 0.633 nan 8.360 nan 0.000 0.425 490 S N 2.791 118.560 115.700 0.114 0.000 2.670 490 S HA -0.030 4.440 4.470 -0.000 0.000 0.308 490 S C 0.349 175.050 174.600 0.169 0.000 1.232 490 S CA 0.289 58.555 58.200 0.110 0.000 1.126 490 S CB -0.192 63.055 63.200 0.078 0.000 0.897 490 S HN 0.289 nan 8.310 nan 0.000 0.508 491 K N 2.256 122.753 120.400 0.161 0.000 2.237 491 K HA 0.084 4.404 4.320 -0.000 0.000 0.270 491 K C -0.211 176.542 176.600 0.256 0.000 1.015 491 K CA -0.308 56.112 56.287 0.221 0.000 0.949 491 K CB 0.535 33.149 32.500 0.191 0.000 0.976 491 K HN 0.594 nan 8.250 nan 0.000 0.472 492 W N 6.877 128.242 121.300 0.108 0.000 2.367 492 W HA 0.166 4.826 4.660 -0.000 0.000 0.329 492 W C -2.467 174.188 176.519 0.227 0.000 1.066 492 W CA -2.801 54.607 57.345 0.105 0.000 1.435 492 W CB 0.166 29.622 29.460 -0.006 0.000 1.296 492 W HN 0.394 nan 8.180 nan 0.000 0.401 493 P HA 0.034 nan 4.420 nan 0.000 0.275 493 P C 0.274 177.732 177.300 0.262 0.000 1.227 493 P CA 0.023 63.312 63.100 0.316 0.000 0.781 493 P CB 1.610 33.410 31.700 0.166 0.000 0.906 494 L N 2.509 123.743 121.223 0.017 0.000 2.489 494 L HA 0.032 4.372 4.340 -0.000 0.000 0.285 494 L C 0.887 177.712 176.870 -0.076 0.000 1.259 494 L CA 0.172 54.829 54.840 -0.305 0.000 0.828 494 L CB -0.255 41.683 42.059 -0.201 0.000 1.094 494 L HN 0.354 nan 8.230 nan 0.000 0.524 495 F N 1.483 121.303 119.950 -0.216 0.000 2.361 495 F HA 0.333 4.860 4.527 -0.000 0.000 0.364 495 F C 0.346 176.114 175.800 -0.053 0.000 1.117 495 F CA -0.645 57.326 58.000 -0.048 0.000 1.071 495 F CB 0.953 39.953 39.000 0.000 0.000 1.188 495 F HN 0.421 nan 8.300 nan 0.000 0.464 496 T N 0.375 114.768 114.554 -0.268 0.000 2.945 496 T HA 0.245 4.595 4.350 -0.000 0.000 0.286 496 T C 1.223 175.790 174.700 -0.222 0.000 1.025 496 T CA 0.034 62.049 62.100 -0.142 0.000 1.039 496 T CB 1.472 70.266 68.868 -0.122 0.000 1.068 496 T HN 0.616 nan 8.240 nan 0.000 0.497 497 T N -1.117 113.401 114.554 -0.060 0.000 2.929 497 T HA -0.096 4.254 4.350 -0.000 0.000 0.271 497 T C 1.564 176.219 174.700 -0.075 0.000 1.085 497 T CA 1.095 63.180 62.100 -0.025 0.000 1.125 497 T CB -0.317 68.548 68.868 -0.005 0.000 0.874 497 T HN 0.741 nan 8.240 nan 0.000 0.494 498 K N 0.370 120.710 120.400 -0.100 0.000 2.099 498 K HA 0.040 4.359 4.320 -0.000 0.000 0.203 498 K C 2.108 178.641 176.600 -0.111 0.000 1.047 498 K CA 0.845 57.083 56.287 -0.082 0.000 0.963 498 K CB 0.147 32.611 32.500 -0.061 0.000 0.759 498 K HN 0.199 nan 8.250 nan 0.000 0.451 499 E N 0.852 120.952 120.200 -0.166 0.000 2.170 499 E HA -0.009 4.341 4.350 -0.000 0.000 0.191 499 E C -0.198 176.240 176.600 -0.268 0.000 0.981 499 E CA 0.385 56.682 56.400 -0.171 0.000 0.830 499 E CB 0.192 29.805 29.700 -0.145 0.000 0.775 499 E HN 0.219 nan 8.360 nan 0.000 0.470 500 Q N 0.244 119.692 119.800 -0.588 0.000 2.434 500 Q HA -0.247 4.093 4.340 -0.000 0.000 0.299 500 Q C -0.783 174.930 176.000 -0.479 0.000 1.286 500 Q CA 0.641 55.821 55.803 -1.037 0.000 0.872 500 Q CB -1.665 26.899 28.738 -0.290 0.000 1.193 500 Q HN 0.233 nan 8.270 nan 0.000 0.466 501 K N 0.572 120.769 120.400 -0.338 0.000 2.144 501 K HA 0.643 4.963 4.320 -0.000 0.000 0.270 501 K C 0.028 176.884 176.600 0.428 0.000 1.005 501 K CA -0.079 56.257 56.287 0.081 0.000 0.932 501 K CB 0.650 33.150 32.500 -0.001 0.000 1.021 501 K HN 0.209 nan 8.250 nan 0.000 0.462 502 F N 0.012 120.082 119.950 0.200 0.000 2.754 502 F HA 0.642 5.169 4.527 -0.000 0.000 0.320 502 F C -0.840 174.972 175.800 0.019 0.000 1.156 502 F CA -1.420 56.723 58.000 0.237 0.000 0.950 502 F CB 0.828 40.021 39.000 0.322 0.000 1.388 502 F HN 0.427 nan 8.300 nan 0.000 0.485 503 I N -1.486 119.018 120.570 -0.110 0.000 3.445 503 I HA 0.718 4.887 4.170 -0.000 0.000 0.303 503 I C -1.576 174.491 176.117 -0.085 0.000 1.129 503 I CA -0.961 60.106 61.300 -0.389 0.000 0.989 503 I CB 2.307 39.966 38.000 -0.568 0.000 1.314 503 I HN 0.470 nan 8.210 nan 0.000 0.488 504 D N 1.904 122.223 120.400 -0.135 0.000 2.457 504 D HA 0.570 5.210 4.640 -0.000 0.000 0.240 504 D C -1.197 175.091 176.300 -0.019 0.000 1.041 504 D CA -0.121 53.933 54.000 0.090 0.000 0.861 504 D CB 2.773 43.637 40.800 0.107 0.000 1.394 504 D HN 0.229 nan 8.370 nan 0.000 0.473 505 L N 2.919 124.165 121.223 0.040 0.000 2.295 505 L HA 0.349 4.688 4.340 -0.000 0.000 0.281 505 L C 0.082 176.896 176.870 -0.094 0.000 1.018 505 L CA -0.346 54.491 54.840 -0.005 0.000 0.841 505 L CB 0.228 42.335 42.059 0.080 0.000 1.218 505 L HN 0.448 nan 8.230 nan 0.000 0.424 506 N N -0.635 117.979 118.700 -0.143 0.000 3.635 506 N HA 0.340 5.080 4.740 -0.000 0.000 0.347 506 N C 0.642 175.970 175.510 -0.303 0.000 1.596 506 N CA -0.091 52.797 53.050 -0.270 0.000 0.778 506 N CB 0.265 38.621 38.487 -0.218 0.000 2.436 506 N HN 0.147 nan 8.380 nan 0.000 0.569 507 T N -3.220 111.091 114.554 -0.406 0.000 2.976 507 T HA 0.170 4.520 4.350 -0.000 0.000 0.257 507 T C 0.364 174.972 174.700 -0.152 0.000 1.051 507 T CA 0.492 62.414 62.100 -0.296 0.000 1.141 507 T CB -0.480 68.189 68.868 -0.332 0.000 0.881 507 T HN 0.460 nan 8.240 nan 0.000 0.461 508 E N 2.596 122.722 120.200 -0.123 0.000 2.425 508 E HA 0.187 4.537 4.350 -0.000 0.000 0.258 508 E C -2.449 174.115 176.600 -0.060 0.000 1.151 508 E CA -1.763 54.595 56.400 -0.070 0.000 0.958 508 E CB 0.134 29.806 29.700 -0.047 0.000 0.968 508 E HN 0.261 nan 8.360 nan 0.000 0.451 509 P HA -0.097 nan 4.420 nan 0.000 0.270 509 P C -0.147 177.126 177.300 -0.046 0.000 1.223 509 P CA 0.247 63.328 63.100 -0.032 0.000 0.785 509 P CB 0.444 32.133 31.700 -0.019 0.000 0.923 510 M N 2.223 121.797 119.600 -0.042 0.000 2.243 510 M HA -0.016 4.464 4.480 -0.000 0.000 0.309 510 M C -0.441 175.785 176.300 -0.123 0.000 1.050 510 M CA 1.248 56.498 55.300 -0.084 0.000 1.139 510 M CB 0.034 32.599 32.600 -0.059 0.000 1.457 510 M HN 0.239 nan 8.290 nan 0.000 0.440 511 K N 1.772 122.038 120.400 -0.223 0.000 2.542 511 K HA 0.519 4.839 4.320 -0.000 0.000 0.259 511 K C -1.821 174.467 176.600 -0.520 0.000 0.932 511 K CA -0.830 55.268 56.287 -0.316 0.000 0.820 511 K CB 2.615 34.919 32.500 -0.328 0.000 1.345 511 K HN 0.453 nan 8.250 nan 0.000 0.432 512 V N 3.768 123.422 119.914 -0.433 0.000 2.384 512 V HA 0.383 4.502 4.120 -0.000 0.000 0.287 512 V C -0.490 175.369 176.094 -0.393 0.000 1.020 512 V CA -0.754 61.297 62.300 -0.415 0.000 0.850 512 V CB 0.909 32.627 31.823 -0.176 0.000 0.987 512 V HN 0.679 nan 8.190 nan 0.000 0.436 513 H N 3.273 122.024 119.070 -0.532 0.000 2.737 513 H HA 0.695 5.251 4.556 -0.000 0.000 0.358 513 H C -0.363 174.809 175.328 -0.261 0.000 1.187 513 H CA -0.997 54.765 56.048 -0.477 0.000 1.221 513 H CB 1.973 31.326 29.762 -0.682 0.000 1.799 513 H HN 0.743 nan 8.280 nan 0.000 0.568 514 Q N -0.389 119.510 119.800 0.165 0.000 2.394 514 Q HA 0.574 4.914 4.340 -0.000 0.000 0.273 514 Q C -0.913 175.289 176.000 0.337 0.000 1.089 514 Q CA -1.160 54.794 55.803 0.252 0.000 0.812 514 Q CB 2.475 31.271 28.738 0.097 0.000 1.353 514 Q HN 0.546 nan 8.270 nan 0.000 0.438 515 R N 0.618 121.310 120.500 0.320 0.000 2.994 515 R HA -0.181 4.159 4.340 -0.000 0.000 0.267 515 R C -0.784 175.635 176.300 0.198 0.000 0.914 515 R CA -0.011 56.224 56.100 0.225 0.000 0.668 515 R CB -1.576 28.808 30.300 0.140 0.000 1.524 515 R HN 0.679 nan 8.270 nan 0.000 0.478 516 L N 2.877 124.145 121.223 0.074 0.000 2.791 516 L HA -0.027 4.313 4.340 -0.000 0.000 0.276 516 L C 0.628 177.452 176.870 -0.076 0.000 1.136 516 L CA 0.803 55.513 54.840 -0.216 0.000 1.008 516 L CB -0.355 41.223 42.059 -0.802 0.000 1.348 516 L HN 0.437 nan 8.230 nan 0.000 0.476 517 R N 2.357 122.847 120.500 -0.016 0.000 3.092 517 R HA -0.175 4.165 4.340 -0.000 0.000 0.245 517 R C 1.111 177.466 176.300 0.091 0.000 0.881 517 R CA 0.621 56.744 56.100 0.038 0.000 0.614 517 R CB -1.712 28.613 30.300 0.041 0.000 1.128 517 R HN 0.739 nan 8.270 nan 0.000 0.483 518 V N -2.603 117.367 119.914 0.093 0.000 2.453 518 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 518 V C 2.257 178.424 176.094 0.123 0.000 1.048 518 V CA 1.671 64.039 62.300 0.113 0.000 1.049 518 V CB -0.349 31.534 31.823 0.100 0.000 0.672 518 V HN 0.384 nan 8.190 nan 0.000 0.457 519 Q N 0.548 120.406 119.800 0.097 0.000 2.029 519 Q HA -0.213 4.126 4.340 -0.000 0.000 0.209 519 Q C 2.137 178.204 176.000 0.112 0.000 0.999 519 Q CA 2.626 58.474 55.803 0.076 0.000 0.857 519 Q CB -0.388 28.375 28.738 0.042 0.000 0.926 519 Q HN 0.573 nan 8.270 nan 0.000 0.415 520 M N -1.434 118.269 119.600 0.171 0.000 2.447 520 M HA -0.033 4.447 4.480 -0.000 0.000 0.264 520 M C 2.190 178.788 176.300 0.497 0.000 1.095 520 M CA 0.543 56.017 55.300 0.290 0.000 1.125 520 M CB -0.760 32.081 32.600 0.402 0.000 1.389 520 M HN 0.314 nan 8.290 nan 0.000 0.459 521 c N 0.002 118.826 118.600 0.373 0.000 2.448 521 c HA -0.001 4.569 4.570 -0.000 0.000 0.280 521 c C 2.871 177.147 174.090 0.310 0.000 1.398 521 c CA 0.259 56.809 56.329 0.368 0.000 1.774 521 c CB -0.782 41.874 42.510 0.244 0.000 1.888 521 c HN 0.311 nan 8.230 nan 0.000 0.519 522 V N 0.154 120.220 119.914 0.254 0.000 2.591 522 V HA -0.142 3.978 4.120 -0.000 0.000 0.249 522 V C 1.985 178.218 176.094 0.231 0.000 1.053 522 V CA 1.657 64.078 62.300 0.201 0.000 1.068 522 V CB -0.737 31.172 31.823 0.144 0.000 0.689 522 V HN 0.530 nan 8.190 nan 0.000 0.462 523 F N 0.223 120.228 119.950 0.092 0.000 2.084 523 F HA -0.161 4.366 4.527 -0.000 0.000 0.296 523 F C 1.926 177.750 175.800 0.039 0.000 1.111 523 F CA 1.671 59.679 58.000 0.013 0.000 1.224 523 F CB -0.344 38.535 39.000 -0.202 0.000 0.991 523 F HN 0.172 nan 8.300 nan 0.000 0.471 524 W N 0.448 121.840 121.300 0.152 0.000 2.518 524 W HA -0.006 4.653 4.660 -0.000 0.000 0.273 524 W C 1.974 178.492 176.519 -0.001 0.000 1.247 524 W CA 0.693 58.063 57.345 0.041 0.000 1.288 524 W CB -0.293 29.306 29.460 0.231 0.000 1.107 524 W HN -0.020 nan 8.180 nan 0.000 0.586 525 N N -0.861 117.981 118.700 0.237 0.000 2.348 525 N HA 0.019 4.759 4.740 -0.000 0.000 0.183 525 N C 1.204 176.751 175.510 0.062 0.000 1.094 525 N CA 0.638 53.748 53.050 0.100 0.000 0.885 525 N CB 0.233 38.780 38.487 0.099 0.000 1.065 525 N HN 0.353 nan 8.380 nan 0.000 0.472 526 Q N -1.383 118.475 119.800 0.097 0.000 2.280 526 Q HA 0.208 4.548 4.340 -0.000 0.000 0.244 526 Q C 0.573 176.643 176.000 0.116 0.000 0.847 526 Q CA 0.062 55.923 55.803 0.097 0.000 0.945 526 Q CB 0.782 29.595 28.738 0.124 0.000 1.115 526 Q HN 0.139 nan 8.270 nan 0.000 0.513 527 F N -0.264 119.616 119.950 -0.117 0.000 2.577 527 F HA 0.165 4.692 4.527 -0.000 0.000 0.276 527 F C 1.412 177.043 175.800 -0.282 0.000 1.032 527 F CA -0.053 57.838 58.000 -0.181 0.000 1.297 527 F CB 0.194 39.087 39.000 -0.178 0.000 1.061 527 F HN -0.047 nan 8.300 nan 0.000 0.680 528 L N 1.880 122.780 121.223 -0.538 0.000 2.017 528 L HA 0.045 4.385 4.340 -0.000 0.000 0.208 528 L C -1.018 175.639 176.870 -0.356 0.000 1.073 528 L CA 2.161 56.639 54.840 -0.604 0.000 0.745 528 L CB -1.594 40.145 42.059 -0.532 0.000 0.894 528 L HN -0.051 nan 8.230 nan 0.000 0.432 529 P HA -0.184 nan 4.420 nan 0.000 0.216 529 P C 1.291 178.500 177.300 -0.152 0.000 1.150 529 P CA 1.666 64.698 63.100 -0.112 0.000 0.837 529 P CB 0.008 31.671 31.700 -0.062 0.000 0.786 530 K N -0.893 119.381 120.400 -0.210 0.000 2.031 530 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 530 K C 1.941 178.371 176.600 -0.284 0.000 1.049 530 K CA 0.928 57.095 56.287 -0.200 0.000 0.939 530 K CB -1.046 31.355 32.500 -0.166 0.000 0.717 530 K HN 0.044 nan 8.250 nan 0.000 0.438 531 L N 1.634 122.545 121.223 -0.521 0.000 2.189 531 L HA -0.162 4.178 4.340 -0.000 0.000 0.214 531 L C 1.650 178.348 176.870 -0.286 0.000 1.097 531 L CA 1.632 56.156 54.840 -0.527 0.000 0.764 531 L CB -0.202 41.338 42.059 -0.865 0.000 0.900 531 L HN 0.138 nan 8.230 nan 0.000 0.436 532 L N -1.402 119.683 121.223 -0.230 0.000 2.354 532 L HA 0.082 4.422 4.340 -0.000 0.000 0.212 532 L C 1.562 178.383 176.870 -0.081 0.000 1.091 532 L CA 0.543 55.308 54.840 -0.126 0.000 0.828 532 L CB -0.348 41.661 42.059 -0.083 0.000 0.973 532 L HN 0.255 nan 8.230 nan 0.000 0.461 533 N N 0.209 118.855 118.700 -0.089 0.000 2.314 533 N HA 0.077 4.816 4.740 -0.000 0.000 0.200 533 N C 1.024 176.501 175.510 -0.056 0.000 1.135 533 N CA 0.622 53.638 53.050 -0.057 0.000 0.835 533 N CB 0.467 38.924 38.487 -0.050 0.000 0.989 533 N HN 0.226 nan 8.380 nan 0.000 0.478 534 A N -1.442 121.334 122.820 -0.073 0.000 2.192 534 A HA 0.306 4.626 4.320 -0.000 0.000 0.208 534 A C 0.745 178.301 177.584 -0.047 0.000 1.220 534 A CA 0.357 52.359 52.037 -0.059 0.000 0.900 534 A CB -0.163 18.793 19.000 -0.075 0.000 0.937 534 A HN 0.224 nan 8.150 nan 0.000 0.487 535 T N 0.000 114.522 114.554 -0.053 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 535 T CA 0.000 62.077 62.100 -0.039 0.000 1.349 535 T CB 0.000 68.854 68.868 -0.023 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658